USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 827 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 2 GLN : amide:sc= -0.943 K(o=-5.1,f=-9.7!) USER MOD Set 1.2: A 99 HIS : no HD1:sc= -4.16! C(o=-5.1!,f=-12!) USER MOD Single : A 6 THR OG1 : rot 36:sc= 1.77 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -5.25! K(o=-5.2!,f=-4.4) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0526 USER MOD Single : A 22 ASN : amide:sc= -0.188 K(o=-0.19,f=-4!) USER MOD Single : A 24 MET CE :methyl 171:sc= -3.29 (180deg=-3.58!) USER MOD Single : A 26 THR OG1 : rot 95:sc= 0.765 USER MOD Single : A 27 SER OG : rot 180:sc=0.000947 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 170:sc= -0.39 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 22:sc= 0.512 USER MOD Single : A 60 SER OG : rot 113:sc= -2.75 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 62 SER OG : rot 55:sc= 1.22 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.00083) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -1.04 USER MOD Single : A 85 SER OG : rot 46:sc= 0.211 USER MOD Single : A 86 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.72) USER MOD Single : A 89 CYS SG : rot 66:sc= -1.84 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -6.537 12.007 1.928 1.00 0.00 N ATOM 21 CA GLN A 2 -5.966 10.828 1.203 1.00 0.00 C ATOM 22 C GLN A 2 -7.076 10.159 0.388 1.00 0.00 C ATOM 23 O GLN A 2 -8.216 10.103 0.819 1.00 0.00 O ATOM 24 CB GLN A 2 -5.394 9.838 2.222 1.00 0.00 C ATOM 25 CG GLN A 2 -4.199 10.478 2.932 1.00 0.00 C ATOM 26 CD GLN A 2 -4.066 9.897 4.341 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.973 10.003 5.143 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.964 9.286 4.680 1.00 0.00 N ATOM 0 HA GLN A 2 -5.169 11.150 0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.159 9.563 2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.086 8.920 1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.286 10.295 2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.331 11.559 2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.203 9.197 4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.864 8.898 5.618 1.00 0.00 H new ATOM 37 N ASP A 3 -6.749 9.672 -0.794 1.00 0.00 N ATOM 38 CA ASP A 3 -7.777 9.017 -1.668 1.00 0.00 C ATOM 39 C ASP A 3 -7.170 7.801 -2.379 1.00 0.00 C ATOM 40 O ASP A 3 -6.126 7.305 -1.992 1.00 0.00 O ATOM 41 CB ASP A 3 -8.270 10.035 -2.703 1.00 0.00 C ATOM 42 CG ASP A 3 -9.780 9.884 -2.898 1.00 0.00 C ATOM 43 OD1 ASP A 3 -10.497 9.988 -1.917 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.194 9.668 -4.026 1.00 0.00 O ATOM 0 H ASP A 3 -5.809 9.702 -1.189 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.613 8.678 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.036 11.047 -2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.754 9.883 -3.651 1.00 0.00 H new ATOM 49 N TRP A 4 -7.832 7.324 -3.419 1.00 0.00 N ATOM 50 CA TRP A 4 -7.333 6.136 -4.193 1.00 0.00 C ATOM 51 C TRP A 4 -5.883 6.372 -4.628 1.00 0.00 C ATOM 52 O TRP A 4 -4.994 5.617 -4.286 1.00 0.00 O ATOM 53 CB TRP A 4 -8.204 5.942 -5.449 1.00 0.00 C ATOM 54 CG TRP A 4 -8.550 4.492 -5.630 1.00 0.00 C ATOM 55 CD1 TRP A 4 -9.808 4.009 -5.727 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.663 3.337 -5.750 1.00 0.00 C ATOM 57 NE1 TRP A 4 -9.756 2.639 -5.881 1.00 0.00 N ATOM 58 CE2 TRP A 4 -8.459 2.175 -5.900 1.00 0.00 C ATOM 59 CE3 TRP A 4 -6.265 3.180 -5.738 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.891 0.909 -6.029 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -5.690 1.905 -5.872 1.00 0.00 C ATOM 62 CH2 TRP A 4 -6.503 0.772 -6.014 1.00 0.00 C ATOM 0 H TRP A 4 -8.708 7.716 -3.765 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.386 5.250 -3.561 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.117 6.531 -5.361 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.672 6.308 -6.328 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -10.711 4.601 -5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -10.578 2.042 -5.970 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.629 4.046 -5.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -8.522 0.039 -6.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -4.615 1.797 -5.866 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.055 -0.206 -6.112 1.00 0.00 H new ATOM 73 N ALA A 5 -5.662 7.421 -5.390 1.00 0.00 N ATOM 74 CA ALA A 5 -4.291 7.764 -5.911 1.00 0.00 C ATOM 75 C ALA A 5 -3.212 7.603 -4.830 1.00 0.00 C ATOM 76 O ALA A 5 -2.161 7.032 -5.085 1.00 0.00 O ATOM 77 CB ALA A 5 -4.294 9.210 -6.409 1.00 0.00 C ATOM 0 H ALA A 5 -6.392 8.071 -5.681 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.056 7.076 -6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.305 9.466 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.028 9.318 -7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.552 9.877 -5.587 1.00 0.00 H new ATOM 83 N THR A 6 -3.467 8.098 -3.636 1.00 0.00 N ATOM 84 CA THR A 6 -2.462 7.980 -2.533 1.00 0.00 C ATOM 85 C THR A 6 -2.358 6.516 -2.109 1.00 0.00 C ATOM 86 O THR A 6 -1.275 6.016 -1.858 1.00 0.00 O ATOM 87 CB THR A 6 -2.891 8.841 -1.339 1.00 0.00 C ATOM 88 OG1 THR A 6 -4.305 8.813 -1.208 1.00 0.00 O ATOM 89 CG2 THR A 6 -2.423 10.282 -1.554 1.00 0.00 C ATOM 0 H THR A 6 -4.330 8.578 -3.382 1.00 0.00 H new ATOM 0 HA THR A 6 -1.491 8.330 -2.884 1.00 0.00 H new ATOM 0 HB THR A 6 -2.440 8.445 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.638 7.923 -1.446 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.728 10.894 -0.705 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.337 10.302 -1.644 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.870 10.678 -2.466 1.00 0.00 H new ATOM 97 N PHE A 7 -3.481 5.834 -2.049 1.00 0.00 N ATOM 98 CA PHE A 7 -3.488 4.387 -1.663 1.00 0.00 C ATOM 99 C PHE A 7 -2.774 3.580 -2.754 1.00 0.00 C ATOM 100 O PHE A 7 -2.156 2.566 -2.476 1.00 0.00 O ATOM 101 CB PHE A 7 -4.945 3.914 -1.529 1.00 0.00 C ATOM 102 CG PHE A 7 -4.990 2.440 -1.187 1.00 0.00 C ATOM 103 CD1 PHE A 7 -4.581 1.998 0.076 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.440 1.519 -2.141 1.00 0.00 C ATOM 105 CE1 PHE A 7 -4.622 0.633 0.386 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.480 0.154 -1.831 1.00 0.00 C ATOM 107 CZ PHE A 7 -5.071 -0.288 -0.568 1.00 0.00 C ATOM 0 H PHE A 7 -4.401 6.224 -2.254 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.974 4.244 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.451 4.490 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.480 4.094 -2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.234 2.709 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.756 1.861 -3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.307 0.291 1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.826 -0.557 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.102 -1.341 -0.329 1.00 0.00 H new ATOM 117 N LYS A 8 -2.864 4.030 -3.990 1.00 0.00 N ATOM 118 CA LYS A 8 -2.211 3.311 -5.125 1.00 0.00 C ATOM 119 C LYS A 8 -0.695 3.301 -4.919 1.00 0.00 C ATOM 120 O LYS A 8 -0.059 2.263 -5.006 1.00 0.00 O ATOM 121 CB LYS A 8 -2.542 4.016 -6.442 1.00 0.00 C ATOM 122 CG LYS A 8 -2.341 3.041 -7.604 1.00 0.00 C ATOM 123 CD LYS A 8 -3.353 3.347 -8.709 1.00 0.00 C ATOM 124 CE LYS A 8 -2.946 4.633 -9.428 1.00 0.00 C ATOM 125 NZ LYS A 8 -2.045 4.299 -10.566 1.00 0.00 N ATOM 0 H LYS A 8 -3.369 4.875 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.581 2.286 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.571 4.374 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.903 4.889 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.326 3.126 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.465 2.015 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.396 2.519 -9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.351 3.455 -8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.831 5.155 -9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.441 5.306 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.767 5.173 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.196 3.818 -10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.543 3.672 -11.230 1.00 0.00 H new ATOM 139 N LYS A 9 -0.122 4.450 -4.640 1.00 0.00 N ATOM 140 CA LYS A 9 1.356 4.537 -4.415 1.00 0.00 C ATOM 141 C LYS A 9 1.699 4.068 -2.998 1.00 0.00 C ATOM 142 O LYS A 9 2.843 3.765 -2.705 1.00 0.00 O ATOM 143 CB LYS A 9 1.812 5.990 -4.589 1.00 0.00 C ATOM 144 CG LYS A 9 1.558 6.447 -6.033 1.00 0.00 C ATOM 145 CD LYS A 9 2.891 6.753 -6.724 1.00 0.00 C ATOM 146 CE LYS A 9 2.626 7.432 -8.071 1.00 0.00 C ATOM 147 NZ LYS A 9 2.704 6.419 -9.161 1.00 0.00 N ATOM 0 H LYS A 9 -0.620 5.337 -4.558 1.00 0.00 H new ATOM 0 HA LYS A 9 1.865 3.899 -5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.274 6.635 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.872 6.079 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.024 5.671 -6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.924 7.334 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.500 7.400 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.455 5.832 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.643 7.902 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.356 8.223 -8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.524 6.879 -10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.651 5.990 -9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.991 5.680 -8.999 1.00 0.00 H new ATOM 161 N LYS A 10 0.718 4.025 -2.120 1.00 0.00 N ATOM 162 CA LYS A 10 0.958 3.602 -0.709 1.00 0.00 C ATOM 163 C LYS A 10 0.970 2.075 -0.578 1.00 0.00 C ATOM 164 O LYS A 10 1.909 1.514 -0.034 1.00 0.00 O ATOM 165 CB LYS A 10 -0.159 4.173 0.162 1.00 0.00 C ATOM 166 CG LYS A 10 0.278 5.522 0.739 1.00 0.00 C ATOM 167 CD LYS A 10 -0.880 6.142 1.527 1.00 0.00 C ATOM 168 CE LYS A 10 -1.146 5.325 2.797 1.00 0.00 C ATOM 169 NZ LYS A 10 -2.536 4.788 2.759 1.00 0.00 N ATOM 0 H LYS A 10 -0.250 4.270 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 10 1.931 3.975 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.067 4.296 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.395 3.480 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.143 5.388 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.584 6.191 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.641 7.172 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.777 6.171 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.430 4.506 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.010 5.950 3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.718 4.234 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.212 5.577 2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.650 4.178 1.924 1.00 0.00 H new ATOM 183 N HIS A 11 -0.078 1.409 -1.029 1.00 0.00 N ATOM 184 CA HIS A 11 -0.146 -0.082 -0.883 1.00 0.00 C ATOM 185 C HIS A 11 -0.327 -0.794 -2.233 1.00 0.00 C ATOM 186 O HIS A 11 -0.803 -1.920 -2.272 1.00 0.00 O ATOM 187 CB HIS A 11 -1.312 -0.433 0.048 1.00 0.00 C ATOM 188 CG HIS A 11 -0.854 -0.337 1.477 1.00 0.00 C ATOM 189 ND1 HIS A 11 -0.887 0.854 2.183 1.00 0.00 N ATOM 190 CD2 HIS A 11 -0.347 -1.274 2.345 1.00 0.00 C ATOM 191 CE1 HIS A 11 -0.413 0.607 3.417 1.00 0.00 C ATOM 192 NE2 HIS A 11 -0.068 -0.675 3.569 1.00 0.00 N ATOM 0 H HIS A 11 -0.882 1.835 -1.489 1.00 0.00 H new ATOM 0 HA HIS A 11 0.800 -0.425 -0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.147 0.246 -0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.671 -1.440 -0.164 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.189 -2.317 2.112 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.322 1.354 4.191 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.317 -1.119 4.403 1.00 0.00 H new ATOM 200 N LEU A 12 0.052 -0.172 -3.333 1.00 0.00 N ATOM 201 CA LEU A 12 -0.105 -0.854 -4.664 1.00 0.00 C ATOM 202 C LEU A 12 1.071 -0.536 -5.589 1.00 0.00 C ATOM 203 O LEU A 12 1.653 0.533 -5.528 1.00 0.00 O ATOM 204 CB LEU A 12 -1.405 -0.406 -5.326 1.00 0.00 C ATOM 205 CG LEU A 12 -2.576 -1.192 -4.736 1.00 0.00 C ATOM 206 CD1 LEU A 12 -3.874 -0.429 -4.981 1.00 0.00 C ATOM 207 CD2 LEU A 12 -2.656 -2.566 -5.406 1.00 0.00 C ATOM 0 H LEU A 12 0.457 0.764 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.129 -1.930 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.555 0.662 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.351 -0.567 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.427 -1.319 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.710 -0.988 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.816 0.550 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.025 -0.302 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.491 -3.127 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.806 -2.440 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.728 -3.111 -5.231 1.00 0.00 H new ATOM 219 N THR A 13 1.404 -1.477 -6.449 1.00 0.00 N ATOM 220 CA THR A 13 2.532 -1.289 -7.417 1.00 0.00 C ATOM 221 C THR A 13 2.190 -1.988 -8.737 1.00 0.00 C ATOM 222 O THR A 13 1.156 -2.626 -8.859 1.00 0.00 O ATOM 223 CB THR A 13 3.819 -1.891 -6.841 1.00 0.00 C ATOM 224 OG1 THR A 13 3.520 -3.120 -6.192 1.00 0.00 O ATOM 225 CG2 THR A 13 4.434 -0.917 -5.835 1.00 0.00 C ATOM 0 H THR A 13 0.933 -2.379 -6.519 1.00 0.00 H new ATOM 0 HA THR A 13 2.681 -0.224 -7.592 1.00 0.00 H new ATOM 0 HB THR A 13 4.528 -2.072 -7.649 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.343 -3.505 -5.825 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.349 -1.346 -5.426 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.666 0.024 -6.334 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.726 -0.734 -5.027 1.00 0.00 H new ATOM 233 N ASP A 14 3.056 -1.865 -9.721 1.00 0.00 N ATOM 234 CA ASP A 14 2.809 -2.508 -11.052 1.00 0.00 C ATOM 235 C ASP A 14 3.891 -3.562 -11.334 1.00 0.00 C ATOM 236 O ASP A 14 4.179 -3.875 -12.481 1.00 0.00 O ATOM 237 CB ASP A 14 2.834 -1.430 -12.142 1.00 0.00 C ATOM 238 CG ASP A 14 1.852 -1.803 -13.255 1.00 0.00 C ATOM 239 OD1 ASP A 14 1.973 -2.896 -13.784 1.00 0.00 O ATOM 240 OD2 ASP A 14 0.996 -0.988 -13.560 1.00 0.00 O ATOM 0 H ASP A 14 3.929 -1.342 -9.656 1.00 0.00 H new ATOM 0 HA ASP A 14 1.836 -2.999 -11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.567 -0.462 -11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.841 -1.333 -12.549 1.00 0.00 H new ATOM 245 N THR A 15 4.484 -4.115 -10.292 1.00 0.00 N ATOM 246 CA THR A 15 5.546 -5.156 -10.473 1.00 0.00 C ATOM 247 C THR A 15 5.980 -5.697 -9.107 1.00 0.00 C ATOM 248 O THR A 15 5.783 -5.054 -8.088 1.00 0.00 O ATOM 249 CB THR A 15 6.750 -4.534 -11.190 1.00 0.00 C ATOM 250 OG1 THR A 15 7.819 -5.472 -11.236 1.00 0.00 O ATOM 251 CG2 THR A 15 7.201 -3.279 -10.443 1.00 0.00 C ATOM 0 H THR A 15 4.273 -3.885 -9.321 1.00 0.00 H new ATOM 0 HA THR A 15 5.151 -5.977 -11.071 1.00 0.00 H new ATOM 0 HB THR A 15 6.463 -4.266 -12.207 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.586 -5.072 -11.696 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.057 -2.839 -10.955 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.384 -2.558 -10.417 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.484 -3.544 -9.424 1.00 0.00 H new ATOM 259 N TRP A 16 6.571 -6.874 -9.096 1.00 0.00 N ATOM 260 CA TRP A 16 7.041 -7.495 -7.819 1.00 0.00 C ATOM 261 C TRP A 16 8.270 -6.739 -7.316 1.00 0.00 C ATOM 262 O TRP A 16 8.450 -6.558 -6.123 1.00 0.00 O ATOM 263 CB TRP A 16 7.406 -8.961 -8.079 1.00 0.00 C ATOM 264 CG TRP A 16 7.774 -9.649 -6.796 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.203 -9.424 -5.586 1.00 0.00 C ATOM 266 CD2 TRP A 16 8.783 -10.679 -6.582 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.802 -10.245 -4.648 1.00 0.00 N ATOM 268 CE2 TRP A 16 8.780 -11.038 -5.214 1.00 0.00 C ATOM 269 CE3 TRP A 16 9.694 -11.327 -7.435 1.00 0.00 C ATOM 270 CZ2 TRP A 16 9.649 -12.009 -4.711 1.00 0.00 C ATOM 271 CZ3 TRP A 16 10.568 -12.304 -6.933 1.00 0.00 C ATOM 272 CH2 TRP A 16 10.545 -12.644 -5.574 1.00 0.00 C ATOM 0 H TRP A 16 6.748 -7.434 -9.930 1.00 0.00 H new ATOM 0 HA TRP A 16 6.253 -7.445 -7.068 1.00 0.00 H new ATOM 0 HB2 TRP A 16 6.564 -9.474 -8.545 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.240 -9.015 -8.779 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.410 -8.719 -5.388 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.552 -10.262 -3.659 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.721 -11.071 -8.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 9.628 -12.267 -3.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 11.262 -12.796 -7.598 1.00 0.00 H new ATOM 0 HH2 TRP A 16 11.220 -13.397 -5.194 1.00 0.00 H new ATOM 283 N ASP A 17 9.109 -6.296 -8.231 1.00 0.00 N ATOM 284 CA ASP A 17 10.340 -5.538 -7.851 1.00 0.00 C ATOM 285 C ASP A 17 10.027 -4.040 -7.883 1.00 0.00 C ATOM 286 O ASP A 17 9.767 -3.480 -8.936 1.00 0.00 O ATOM 287 CB ASP A 17 11.462 -5.859 -8.849 1.00 0.00 C ATOM 288 CG ASP A 17 12.759 -6.159 -8.092 1.00 0.00 C ATOM 289 OD1 ASP A 17 12.900 -7.275 -7.618 1.00 0.00 O ATOM 290 OD2 ASP A 17 13.586 -5.268 -7.997 1.00 0.00 O ATOM 0 H ASP A 17 8.987 -6.432 -9.234 1.00 0.00 H new ATOM 0 HA ASP A 17 10.662 -5.822 -6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.182 -6.715 -9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.611 -5.018 -9.526 1.00 0.00 H new ATOM 295 N VAL A 18 10.039 -3.400 -6.732 1.00 0.00 N ATOM 296 CA VAL A 18 9.731 -1.938 -6.659 1.00 0.00 C ATOM 297 C VAL A 18 11.019 -1.144 -6.438 1.00 0.00 C ATOM 298 O VAL A 18 12.012 -1.671 -5.963 1.00 0.00 O ATOM 299 CB VAL A 18 8.769 -1.688 -5.493 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.390 -0.205 -5.433 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.504 -2.523 -5.699 1.00 0.00 C ATOM 0 H VAL A 18 10.251 -3.836 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 18 9.272 -1.616 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 18 9.256 -1.970 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.706 -0.038 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.289 0.395 -5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.905 0.085 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.815 -2.350 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.027 -2.235 -6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.768 -3.580 -5.736 1.00 0.00 H new ATOM 311 N ASP A 19 10.986 0.126 -6.773 1.00 0.00 N ATOM 312 CA ASP A 19 12.178 1.011 -6.590 1.00 0.00 C ATOM 313 C ASP A 19 11.956 1.873 -5.340 1.00 0.00 C ATOM 314 O ASP A 19 11.391 2.954 -5.405 1.00 0.00 O ATOM 315 CB ASP A 19 12.354 1.901 -7.825 1.00 0.00 C ATOM 316 CG ASP A 19 13.335 1.236 -8.795 1.00 0.00 C ATOM 317 OD1 ASP A 19 13.098 0.094 -9.153 1.00 0.00 O ATOM 318 OD2 ASP A 19 14.305 1.878 -9.161 1.00 0.00 O ATOM 0 H ASP A 19 10.170 0.591 -7.171 1.00 0.00 H new ATOM 0 HA ASP A 19 13.079 0.410 -6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.392 2.058 -8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.726 2.882 -7.530 1.00 0.00 H new ATOM 323 N CYS A 20 12.385 1.374 -4.202 1.00 0.00 N ATOM 324 CA CYS A 20 12.209 2.107 -2.910 1.00 0.00 C ATOM 325 C CYS A 20 12.960 3.443 -2.946 1.00 0.00 C ATOM 326 O CYS A 20 12.428 4.469 -2.557 1.00 0.00 O ATOM 327 CB CYS A 20 12.763 1.249 -1.771 1.00 0.00 C ATOM 328 SG CYS A 20 11.966 -0.379 -1.778 1.00 0.00 S ATOM 0 H CYS A 20 12.857 0.474 -4.116 1.00 0.00 H new ATOM 0 HA CYS A 20 11.148 2.303 -2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 20 13.841 1.136 -1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.591 1.743 -0.815 1.00 0.00 H new ATOM 333 N ASP A 21 14.196 3.422 -3.391 1.00 0.00 N ATOM 334 CA ASP A 21 15.031 4.669 -3.445 1.00 0.00 C ATOM 335 C ASP A 21 14.467 5.682 -4.455 1.00 0.00 C ATOM 336 O ASP A 21 14.869 6.835 -4.454 1.00 0.00 O ATOM 337 CB ASP A 21 16.459 4.298 -3.855 1.00 0.00 C ATOM 338 CG ASP A 21 16.426 3.537 -5.182 1.00 0.00 C ATOM 339 OD1 ASP A 21 15.878 2.447 -5.204 1.00 0.00 O ATOM 340 OD2 ASP A 21 16.951 4.056 -6.153 1.00 0.00 O ATOM 0 H ASP A 21 14.669 2.582 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 21 15.020 5.129 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.066 5.198 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.923 3.684 -3.083 1.00 0.00 H new ATOM 345 N ASN A 22 13.561 5.264 -5.318 1.00 0.00 N ATOM 346 CA ASN A 22 12.986 6.201 -6.339 1.00 0.00 C ATOM 347 C ASN A 22 11.794 6.964 -5.752 1.00 0.00 C ATOM 348 O ASN A 22 11.600 8.135 -6.041 1.00 0.00 O ATOM 349 CB ASN A 22 12.526 5.399 -7.558 1.00 0.00 C ATOM 350 CG ASN A 22 12.102 6.360 -8.672 1.00 0.00 C ATOM 351 OD1 ASN A 22 11.012 6.893 -8.646 1.00 0.00 O ATOM 352 ND2 ASN A 22 12.926 6.604 -9.654 1.00 0.00 N ATOM 0 H ASN A 22 13.197 4.312 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 22 13.752 6.918 -6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.332 4.754 -7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.693 4.750 -7.286 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.654 7.243 -10.401 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.842 6.155 -9.675 1.00 0.00 H new ATOM 359 N LEU A 23 10.997 6.302 -4.942 1.00 0.00 N ATOM 360 CA LEU A 23 9.794 6.952 -4.325 1.00 0.00 C ATOM 361 C LEU A 23 10.122 7.445 -2.913 1.00 0.00 C ATOM 362 O LEU A 23 9.485 8.353 -2.405 1.00 0.00 O ATOM 363 CB LEU A 23 8.659 5.925 -4.248 1.00 0.00 C ATOM 364 CG LEU A 23 7.990 5.744 -5.621 1.00 0.00 C ATOM 365 CD1 LEU A 23 7.404 7.077 -6.096 1.00 0.00 C ATOM 366 CD2 LEU A 23 9.016 5.243 -6.644 1.00 0.00 C ATOM 0 H LEU A 23 11.132 5.326 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 23 9.494 7.803 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.051 4.969 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.918 6.250 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 23 7.189 5.010 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.932 6.941 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.661 7.425 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.201 7.816 -6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.533 5.118 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.825 5.968 -6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.421 4.286 -6.314 1.00 0.00 H new ATOM 378 N MET A 24 11.098 6.838 -2.284 1.00 0.00 N ATOM 379 CA MET A 24 11.498 7.218 -0.895 1.00 0.00 C ATOM 380 C MET A 24 11.811 8.732 -0.767 1.00 0.00 C ATOM 381 O MET A 24 11.371 9.332 0.194 1.00 0.00 O ATOM 382 CB MET A 24 12.721 6.373 -0.492 1.00 0.00 C ATOM 383 CG MET A 24 13.232 6.768 0.902 1.00 0.00 C ATOM 384 SD MET A 24 14.863 6.034 1.171 1.00 0.00 S ATOM 385 CE MET A 24 15.769 7.079 0.005 1.00 0.00 C ATOM 0 H MET A 24 11.646 6.077 -2.686 1.00 0.00 H new ATOM 0 HA MET A 24 10.663 7.019 -0.224 1.00 0.00 H new ATOM 0 HB2 MET A 24 12.455 5.316 -0.499 1.00 0.00 H new ATOM 0 HB3 MET A 24 13.516 6.506 -1.225 1.00 0.00 H new ATOM 0 HG2 MET A 24 13.290 7.853 0.986 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.536 6.426 1.668 1.00 0.00 H new ATOM 0 HE1 MET A 24 16.839 6.909 0.120 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.469 6.832 -1.014 1.00 0.00 H new ATOM 0 HE3 MET A 24 15.545 8.127 0.205 1.00 0.00 H new ATOM 395 N PRO A 25 12.579 9.312 -1.688 1.00 0.00 N ATOM 396 CA PRO A 25 12.955 10.744 -1.594 1.00 0.00 C ATOM 397 C PRO A 25 11.820 11.694 -2.014 1.00 0.00 C ATOM 398 O PRO A 25 12.028 12.896 -2.072 1.00 0.00 O ATOM 399 CB PRO A 25 14.142 10.872 -2.551 1.00 0.00 C ATOM 400 CG PRO A 25 14.025 9.701 -3.552 1.00 0.00 C ATOM 401 CD PRO A 25 13.139 8.634 -2.886 1.00 0.00 C ATOM 0 HA PRO A 25 13.185 11.026 -0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.120 11.830 -3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.086 10.825 -2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.585 10.037 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.008 9.294 -3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.349 8.298 -3.558 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.718 7.753 -2.609 1.00 0.00 H new ATOM 409 N THR A 26 10.637 11.183 -2.295 1.00 0.00 N ATOM 410 CA THR A 26 9.500 12.077 -2.702 1.00 0.00 C ATOM 411 C THR A 26 8.756 12.557 -1.452 1.00 0.00 C ATOM 412 O THR A 26 9.141 12.251 -0.335 1.00 0.00 O ATOM 413 CB THR A 26 8.513 11.328 -3.617 1.00 0.00 C ATOM 414 OG1 THR A 26 9.168 10.249 -4.274 1.00 0.00 O ATOM 415 CG2 THR A 26 7.953 12.293 -4.666 1.00 0.00 C ATOM 0 H THR A 26 10.412 10.189 -2.260 1.00 0.00 H new ATOM 0 HA THR A 26 9.909 12.927 -3.248 1.00 0.00 H new ATOM 0 HB THR A 26 7.701 10.933 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.035 9.424 -3.761 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.255 11.762 -5.313 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.435 13.112 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.771 12.693 -5.266 1.00 0.00 H new ATOM 423 N SER A 27 7.690 13.301 -1.649 1.00 0.00 N ATOM 424 CA SER A 27 6.880 13.821 -0.502 1.00 0.00 C ATOM 425 C SER A 27 5.889 12.750 -0.023 1.00 0.00 C ATOM 426 O SER A 27 5.337 12.859 1.061 1.00 0.00 O ATOM 427 CB SER A 27 6.110 15.065 -0.946 1.00 0.00 C ATOM 428 OG SER A 27 5.339 14.754 -2.100 1.00 0.00 O ATOM 0 H SER A 27 7.344 13.572 -2.569 1.00 0.00 H new ATOM 0 HA SER A 27 7.550 14.076 0.319 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.460 15.410 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.803 15.877 -1.166 1.00 0.00 H new ATOM 0 HG SER A 27 4.843 15.549 -2.386 1.00 0.00 H new ATOM 434 N LEU A 28 5.662 11.723 -0.822 1.00 0.00 N ATOM 435 CA LEU A 28 4.710 10.637 -0.436 1.00 0.00 C ATOM 436 C LEU A 28 5.399 9.711 0.567 1.00 0.00 C ATOM 437 O LEU A 28 4.779 9.217 1.496 1.00 0.00 O ATOM 438 CB LEU A 28 4.313 9.850 -1.692 1.00 0.00 C ATOM 439 CG LEU A 28 3.355 8.709 -1.330 1.00 0.00 C ATOM 440 CD1 LEU A 28 2.068 9.282 -0.733 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.017 7.916 -2.595 1.00 0.00 C ATOM 0 H LEU A 28 6.104 11.597 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 28 3.815 11.061 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.838 10.517 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.204 9.446 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 28 3.831 8.056 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.391 8.467 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.306 9.851 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.589 9.937 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.336 7.103 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.543 8.575 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.932 7.504 -3.022 1.00 0.00 H new ATOM 453 N PHE A 29 6.676 9.484 0.374 1.00 0.00 N ATOM 454 CA PHE A 29 7.454 8.601 1.291 1.00 0.00 C ATOM 455 C PHE A 29 8.365 9.469 2.160 1.00 0.00 C ATOM 456 O PHE A 29 8.545 9.201 3.334 1.00 0.00 O ATOM 457 CB PHE A 29 8.282 7.623 0.456 1.00 0.00 C ATOM 458 CG PHE A 29 7.346 6.686 -0.269 1.00 0.00 C ATOM 459 CD1 PHE A 29 6.748 7.085 -1.472 1.00 0.00 C ATOM 460 CD2 PHE A 29 7.066 5.423 0.266 1.00 0.00 C ATOM 461 CE1 PHE A 29 5.876 6.217 -2.140 1.00 0.00 C ATOM 462 CE2 PHE A 29 6.195 4.557 -0.403 1.00 0.00 C ATOM 463 CZ PHE A 29 5.599 4.954 -1.605 1.00 0.00 C ATOM 0 H PHE A 29 7.218 9.881 -0.393 1.00 0.00 H new ATOM 0 HA PHE A 29 6.783 8.034 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.900 8.167 -0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.959 7.058 1.097 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.960 8.061 -1.883 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.523 5.117 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.417 6.522 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.982 3.581 0.008 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.925 4.286 -2.120 1.00 0.00 H new ATOM 473 N ASP A 30 8.914 10.523 1.584 1.00 0.00 N ATOM 474 CA ASP A 30 9.809 11.474 2.341 1.00 0.00 C ATOM 475 C ASP A 30 10.793 10.713 3.263 1.00 0.00 C ATOM 476 O ASP A 30 10.960 11.043 4.431 1.00 0.00 O ATOM 477 CB ASP A 30 8.928 12.422 3.167 1.00 0.00 C ATOM 478 CG ASP A 30 9.593 13.797 3.249 1.00 0.00 C ATOM 479 OD1 ASP A 30 10.755 13.850 3.618 1.00 0.00 O ATOM 480 OD2 ASP A 30 8.932 14.774 2.941 1.00 0.00 O ATOM 0 H ASP A 30 8.777 10.768 0.604 1.00 0.00 H new ATOM 0 HA ASP A 30 10.408 12.042 1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.942 12.510 2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.780 12.018 4.168 1.00 0.00 H new ATOM 485 N CYS A 31 11.446 9.701 2.732 1.00 0.00 N ATOM 486 CA CYS A 31 12.427 8.901 3.535 1.00 0.00 C ATOM 487 C CYS A 31 11.715 8.287 4.754 1.00 0.00 C ATOM 488 O CYS A 31 12.253 8.245 5.853 1.00 0.00 O ATOM 489 CB CYS A 31 13.574 9.815 3.987 1.00 0.00 C ATOM 490 SG CYS A 31 14.983 9.609 2.867 1.00 0.00 S ATOM 0 H CYS A 31 11.338 9.394 1.765 1.00 0.00 H new ATOM 0 HA CYS A 31 12.835 8.094 2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.246 10.855 3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.868 9.571 5.008 1.00 0.00 H new ATOM 495 N LYS A 32 10.505 7.806 4.553 1.00 0.00 N ATOM 496 CA LYS A 32 9.726 7.187 5.674 1.00 0.00 C ATOM 497 C LYS A 32 10.480 5.971 6.219 1.00 0.00 C ATOM 498 O LYS A 32 11.592 5.684 5.806 1.00 0.00 O ATOM 499 CB LYS A 32 8.349 6.752 5.168 1.00 0.00 C ATOM 500 CG LYS A 32 7.335 7.874 5.418 1.00 0.00 C ATOM 501 CD LYS A 32 6.646 7.669 6.776 1.00 0.00 C ATOM 502 CE LYS A 32 6.948 8.854 7.699 1.00 0.00 C ATOM 503 NZ LYS A 32 5.866 8.984 8.715 1.00 0.00 N ATOM 0 H LYS A 32 10.024 7.817 3.654 1.00 0.00 H new ATOM 0 HA LYS A 32 9.602 7.921 6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.397 6.521 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.033 5.842 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.838 8.841 5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.591 7.886 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.569 7.571 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.994 6.743 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.909 8.708 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.026 9.772 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.072 9.789 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.957 9.142 8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.813 8.112 9.279 1.00 0.00 H new ATOM 517 N ASP A 33 9.873 5.264 7.149 1.00 0.00 N ATOM 518 CA ASP A 33 10.522 4.060 7.759 1.00 0.00 C ATOM 519 C ASP A 33 10.341 2.848 6.840 1.00 0.00 C ATOM 520 O ASP A 33 11.302 2.179 6.497 1.00 0.00 O ATOM 521 CB ASP A 33 9.883 3.768 9.119 1.00 0.00 C ATOM 522 CG ASP A 33 10.146 4.938 10.068 1.00 0.00 C ATOM 523 OD1 ASP A 33 9.665 6.024 9.785 1.00 0.00 O ATOM 524 OD2 ASP A 33 10.823 4.732 11.060 1.00 0.00 O ATOM 0 H ASP A 33 8.944 5.475 7.513 1.00 0.00 H new ATOM 0 HA ASP A 33 11.586 4.256 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.810 3.614 9.003 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.294 2.848 9.536 1.00 0.00 H new ATOM 529 N LYS A 34 9.115 2.565 6.451 1.00 0.00 N ATOM 530 CA LYS A 34 8.843 1.396 5.554 1.00 0.00 C ATOM 531 C LYS A 34 7.460 1.532 4.912 1.00 0.00 C ATOM 532 O LYS A 34 6.589 2.207 5.437 1.00 0.00 O ATOM 533 CB LYS A 34 8.891 0.103 6.375 1.00 0.00 C ATOM 534 CG LYS A 34 7.937 0.209 7.576 1.00 0.00 C ATOM 535 CD LYS A 34 8.697 -0.091 8.874 1.00 0.00 C ATOM 536 CE LYS A 34 7.752 -0.735 9.896 1.00 0.00 C ATOM 537 NZ LYS A 34 7.839 0.005 11.186 1.00 0.00 N ATOM 0 H LYS A 34 8.288 3.099 6.720 1.00 0.00 H new ATOM 0 HA LYS A 34 9.600 1.368 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.610 -0.745 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.908 -0.080 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.504 1.208 7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.110 -0.492 7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.534 -0.758 8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.115 0.829 9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.728 -0.717 9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.019 -1.781 10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.199 -0.431 11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.815 -0.034 11.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.564 0.997 11.036 1.00 0.00 H new ATOM 551 N ASN A 35 7.259 0.878 3.785 1.00 0.00 N ATOM 552 CA ASN A 35 5.937 0.929 3.079 1.00 0.00 C ATOM 553 C ASN A 35 5.720 -0.393 2.339 1.00 0.00 C ATOM 554 O ASN A 35 6.593 -0.853 1.621 1.00 0.00 O ATOM 555 CB ASN A 35 5.927 2.094 2.076 1.00 0.00 C ATOM 556 CG ASN A 35 4.987 3.200 2.571 1.00 0.00 C ATOM 557 OD1 ASN A 35 5.294 3.889 3.523 1.00 0.00 O ATOM 558 ND2 ASN A 35 3.848 3.401 1.962 1.00 0.00 N ATOM 0 H ASN A 35 7.965 0.306 3.322 1.00 0.00 H new ATOM 0 HA ASN A 35 5.138 1.082 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.935 2.489 1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.603 1.740 1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.219 4.135 2.286 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.588 2.823 1.162 1.00 0.00 H new ATOM 565 N THR A 36 4.566 -1.001 2.517 1.00 0.00 N ATOM 566 CA THR A 36 4.267 -2.302 1.838 1.00 0.00 C ATOM 567 C THR A 36 3.409 -2.046 0.602 1.00 0.00 C ATOM 568 O THR A 36 2.591 -1.143 0.591 1.00 0.00 O ATOM 569 CB THR A 36 3.511 -3.223 2.800 1.00 0.00 C ATOM 570 OG1 THR A 36 4.165 -3.226 4.062 1.00 0.00 O ATOM 571 CG2 THR A 36 3.478 -4.646 2.236 1.00 0.00 C ATOM 0 H THR A 36 3.815 -0.646 3.109 1.00 0.00 H new ATOM 0 HA THR A 36 5.202 -2.777 1.541 1.00 0.00 H new ATOM 0 HB THR A 36 2.490 -2.861 2.919 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.682 -3.814 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.939 -5.298 2.924 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.974 -4.643 1.269 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.497 -5.012 2.113 1.00 0.00 H new ATOM 579 N PHE A 37 3.598 -2.840 -0.433 1.00 0.00 N ATOM 580 CA PHE A 37 2.805 -2.671 -1.692 1.00 0.00 C ATOM 581 C PHE A 37 2.160 -4.002 -2.081 1.00 0.00 C ATOM 582 O PHE A 37 2.669 -5.064 -1.760 1.00 0.00 O ATOM 583 CB PHE A 37 3.729 -2.217 -2.828 1.00 0.00 C ATOM 584 CG PHE A 37 4.485 -0.975 -2.416 1.00 0.00 C ATOM 585 CD1 PHE A 37 3.794 0.138 -1.920 1.00 0.00 C ATOM 586 CD2 PHE A 37 5.880 -0.937 -2.534 1.00 0.00 C ATOM 587 CE1 PHE A 37 4.499 1.288 -1.544 1.00 0.00 C ATOM 588 CE2 PHE A 37 6.583 0.214 -2.159 1.00 0.00 C ATOM 589 CZ PHE A 37 5.893 1.326 -1.662 1.00 0.00 C ATOM 0 H PHE A 37 4.275 -3.603 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 37 2.031 -1.922 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.430 -3.013 -3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.144 -2.015 -3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.718 0.109 -1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.413 -1.796 -2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.966 2.147 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.658 0.244 -2.253 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.436 2.213 -1.370 1.00 0.00 H new ATOM 599 N ILE A 38 1.049 -3.938 -2.783 1.00 0.00 N ATOM 600 CA ILE A 38 0.340 -5.178 -3.232 1.00 0.00 C ATOM 601 C ILE A 38 0.610 -5.381 -4.724 1.00 0.00 C ATOM 602 O ILE A 38 0.684 -4.425 -5.481 1.00 0.00 O ATOM 603 CB ILE A 38 -1.171 -5.021 -2.998 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.442 -4.754 -1.508 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.904 -6.297 -3.434 1.00 0.00 C ATOM 606 CD1 ILE A 38 -0.950 -5.929 -0.655 1.00 0.00 C ATOM 0 H ILE A 38 0.600 -3.067 -3.066 1.00 0.00 H new ATOM 0 HA ILE A 38 0.699 -6.038 -2.668 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.535 -4.180 -3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.940 -3.837 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.509 -4.602 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.974 -6.178 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.722 -6.477 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.537 -7.144 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.149 -5.724 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.472 -6.838 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.122 -6.061 -0.802 1.00 0.00 H new ATOM 618 N TYR A 39 0.750 -6.620 -5.141 1.00 0.00 N ATOM 619 CA TYR A 39 1.009 -6.920 -6.583 1.00 0.00 C ATOM 620 C TYR A 39 -0.329 -7.245 -7.261 1.00 0.00 C ATOM 621 O TYR A 39 -0.641 -8.393 -7.555 1.00 0.00 O ATOM 622 CB TYR A 39 1.981 -8.107 -6.695 1.00 0.00 C ATOM 623 CG TYR A 39 2.277 -8.389 -8.151 1.00 0.00 C ATOM 624 CD1 TYR A 39 2.737 -7.364 -8.986 1.00 0.00 C ATOM 625 CD2 TYR A 39 2.084 -9.677 -8.667 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.005 -7.626 -10.336 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.352 -9.940 -10.015 1.00 0.00 C ATOM 628 CZ TYR A 39 2.812 -8.915 -10.850 1.00 0.00 C ATOM 629 OH TYR A 39 3.074 -9.173 -12.181 1.00 0.00 O ATOM 0 H TYR A 39 0.695 -7.440 -4.537 1.00 0.00 H new ATOM 0 HA TYR A 39 1.463 -6.061 -7.077 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.906 -7.884 -6.163 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.548 -8.990 -6.225 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.885 -6.371 -8.589 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.728 -10.468 -8.024 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.360 -6.835 -10.980 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.204 -10.934 -10.411 1.00 0.00 H new ATOM 0 HH TYR A 39 2.889 -10.116 -12.374 1.00 0.00 H new ATOM 639 N SER A 40 -1.128 -6.224 -7.496 1.00 0.00 N ATOM 640 CA SER A 40 -2.463 -6.422 -8.142 1.00 0.00 C ATOM 641 C SER A 40 -2.836 -5.180 -8.952 1.00 0.00 C ATOM 642 O SER A 40 -2.152 -4.170 -8.906 1.00 0.00 O ATOM 643 CB SER A 40 -3.519 -6.661 -7.062 1.00 0.00 C ATOM 644 OG SER A 40 -4.790 -6.820 -7.676 1.00 0.00 O ATOM 0 H SER A 40 -0.906 -5.256 -7.264 1.00 0.00 H new ATOM 0 HA SER A 40 -2.417 -7.284 -8.807 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.269 -7.550 -6.482 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.541 -5.822 -6.366 1.00 0.00 H new ATOM 0 HG SER A 40 -5.438 -7.131 -7.010 1.00 0.00 H new ATOM 650 N LEU A 41 -3.920 -5.263 -9.691 1.00 0.00 N ATOM 651 CA LEU A 41 -4.382 -4.111 -10.527 1.00 0.00 C ATOM 652 C LEU A 41 -5.504 -3.359 -9.791 1.00 0.00 C ATOM 653 O LEU A 41 -6.100 -3.909 -8.882 1.00 0.00 O ATOM 654 CB LEU A 41 -4.915 -4.642 -11.857 1.00 0.00 C ATOM 655 CG LEU A 41 -3.743 -5.001 -12.768 1.00 0.00 C ATOM 656 CD1 LEU A 41 -4.213 -5.987 -13.836 1.00 0.00 C ATOM 657 CD2 LEU A 41 -3.214 -3.733 -13.442 1.00 0.00 C ATOM 0 H LEU A 41 -4.510 -6.093 -9.749 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.549 -3.431 -10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.539 -5.519 -11.687 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.544 -3.891 -12.335 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.949 -5.456 -12.177 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.377 -6.244 -14.487 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.591 -6.890 -13.357 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.007 -5.531 -14.428 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.377 -3.989 -14.092 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.008 -3.277 -14.034 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.879 -3.029 -12.680 1.00 0.00 H new ATOM 669 N PRO A 42 -5.778 -2.129 -10.205 1.00 0.00 N ATOM 670 CA PRO A 42 -6.839 -1.307 -9.583 1.00 0.00 C ATOM 671 C PRO A 42 -8.230 -1.769 -10.045 1.00 0.00 C ATOM 672 O PRO A 42 -9.229 -1.437 -9.426 1.00 0.00 O ATOM 673 CB PRO A 42 -6.534 0.113 -10.072 1.00 0.00 C ATOM 674 CG PRO A 42 -5.691 -0.037 -11.359 1.00 0.00 C ATOM 675 CD PRO A 42 -5.076 -1.446 -11.323 1.00 0.00 C ATOM 0 HA PRO A 42 -6.851 -1.380 -8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.455 0.660 -10.273 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.988 0.675 -9.314 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.312 0.092 -12.246 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.912 0.724 -11.402 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.228 -1.970 -12.267 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.000 -1.406 -11.151 1.00 0.00 H new ATOM 683 N GLY A 43 -8.295 -2.533 -11.120 1.00 0.00 N ATOM 684 CA GLY A 43 -9.608 -3.032 -11.639 1.00 0.00 C ATOM 685 C GLY A 43 -10.207 -4.066 -10.664 1.00 0.00 C ATOM 686 O GLY A 43 -11.313 -3.873 -10.193 1.00 0.00 O ATOM 0 H GLY A 43 -7.483 -2.832 -11.661 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.298 -2.198 -11.765 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.471 -3.484 -12.621 1.00 0.00 H new ATOM 690 N PRO A 44 -9.470 -5.141 -10.388 1.00 0.00 N ATOM 691 CA PRO A 44 -9.941 -6.205 -9.473 1.00 0.00 C ATOM 692 C PRO A 44 -9.877 -5.751 -8.011 1.00 0.00 C ATOM 693 O PRO A 44 -10.668 -6.198 -7.194 1.00 0.00 O ATOM 694 CB PRO A 44 -8.979 -7.367 -9.733 1.00 0.00 C ATOM 695 CG PRO A 44 -7.701 -6.750 -10.342 1.00 0.00 C ATOM 696 CD PRO A 44 -8.116 -5.397 -10.947 1.00 0.00 C ATOM 0 HA PRO A 44 -10.982 -6.475 -9.648 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.751 -7.897 -8.808 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.422 -8.093 -10.415 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.934 -6.615 -9.580 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.280 -7.404 -11.106 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.417 -4.607 -10.672 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.137 -5.439 -12.036 1.00 0.00 H new ATOM 704 N VAL A 45 -8.957 -4.864 -7.680 1.00 0.00 N ATOM 705 CA VAL A 45 -8.853 -4.368 -6.268 1.00 0.00 C ATOM 706 C VAL A 45 -10.045 -3.450 -6.002 1.00 0.00 C ATOM 707 O VAL A 45 -10.798 -3.659 -5.064 1.00 0.00 O ATOM 708 CB VAL A 45 -7.530 -3.611 -6.074 1.00 0.00 C ATOM 709 CG1 VAL A 45 -7.454 -3.035 -4.653 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.364 -4.580 -6.277 1.00 0.00 C ATOM 0 H VAL A 45 -8.277 -4.466 -8.328 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.866 -5.203 -5.567 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.477 -2.797 -6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.512 -2.501 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.285 -2.348 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.510 -3.847 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.422 -4.049 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.433 -5.389 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.405 -4.993 -7.285 1.00 0.00 H new ATOM 720 N LYS A 46 -10.225 -2.458 -6.843 1.00 0.00 N ATOM 721 CA LYS A 46 -11.379 -1.519 -6.692 1.00 0.00 C ATOM 722 C LYS A 46 -12.682 -2.304 -6.888 1.00 0.00 C ATOM 723 O LYS A 46 -13.721 -1.924 -6.373 1.00 0.00 O ATOM 724 CB LYS A 46 -11.276 -0.413 -7.746 1.00 0.00 C ATOM 725 CG LYS A 46 -12.429 0.584 -7.567 1.00 0.00 C ATOM 726 CD LYS A 46 -12.184 1.823 -8.437 1.00 0.00 C ATOM 727 CE LYS A 46 -12.160 1.423 -9.916 1.00 0.00 C ATOM 728 NZ LYS A 46 -12.262 2.644 -10.764 1.00 0.00 N ATOM 0 H LYS A 46 -9.614 -2.259 -7.635 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.368 -1.067 -5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.320 0.102 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.309 -0.846 -8.746 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.373 0.115 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.512 0.874 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.967 2.561 -8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.239 2.290 -8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.239 0.886 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.986 0.746 -10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.246 2.372 -11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.152 3.139 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.459 3.274 -10.563 1.00 0.00 H new ATOM 742 N ALA A 47 -12.625 -3.401 -7.627 1.00 0.00 N ATOM 743 CA ALA A 47 -13.845 -4.235 -7.870 1.00 0.00 C ATOM 744 C ALA A 47 -14.413 -4.703 -6.528 1.00 0.00 C ATOM 745 O ALA A 47 -15.618 -4.783 -6.353 1.00 0.00 O ATOM 746 CB ALA A 47 -13.471 -5.450 -8.723 1.00 0.00 C ATOM 0 H ALA A 47 -11.776 -3.750 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.595 -3.644 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.359 -6.057 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.065 -5.114 -9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.723 -6.045 -8.200 1.00 0.00 H new ATOM 752 N LEU A 48 -13.543 -4.988 -5.580 1.00 0.00 N ATOM 753 CA LEU A 48 -13.988 -5.430 -4.229 1.00 0.00 C ATOM 754 C LEU A 48 -14.683 -4.241 -3.552 1.00 0.00 C ATOM 755 O LEU A 48 -15.651 -4.407 -2.825 1.00 0.00 O ATOM 756 CB LEU A 48 -12.747 -5.892 -3.434 1.00 0.00 C ATOM 757 CG LEU A 48 -13.031 -5.939 -1.927 1.00 0.00 C ATOM 758 CD1 LEU A 48 -14.180 -6.910 -1.640 1.00 0.00 C ATOM 759 CD2 LEU A 48 -11.775 -6.405 -1.188 1.00 0.00 C ATOM 0 H LEU A 48 -12.531 -4.930 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.689 -6.263 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.440 -6.879 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.916 -5.214 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.312 -4.943 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.374 -6.937 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.077 -6.578 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.908 -7.908 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.975 -6.439 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.495 -7.399 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.959 -5.709 -1.383 1.00 0.00 H new ATOM 771 N CYS A 49 -14.187 -3.050 -3.804 1.00 0.00 N ATOM 772 CA CYS A 49 -14.787 -1.817 -3.209 1.00 0.00 C ATOM 773 C CYS A 49 -16.079 -1.454 -3.951 1.00 0.00 C ATOM 774 O CYS A 49 -16.886 -0.695 -3.441 1.00 0.00 O ATOM 775 CB CYS A 49 -13.789 -0.664 -3.326 1.00 0.00 C ATOM 776 SG CYS A 49 -12.840 -0.534 -1.791 1.00 0.00 S ATOM 0 H CYS A 49 -13.381 -2.882 -4.406 1.00 0.00 H new ATOM 0 HA CYS A 49 -15.019 -1.998 -2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.118 -0.833 -4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.316 0.270 -3.521 1.00 0.00 H new ATOM 781 N ARG A 50 -16.279 -1.992 -5.145 1.00 0.00 N ATOM 782 CA ARG A 50 -17.521 -1.687 -5.927 1.00 0.00 C ATOM 783 C ARG A 50 -18.752 -2.081 -5.100 1.00 0.00 C ATOM 784 O ARG A 50 -19.210 -3.214 -5.143 1.00 0.00 O ATOM 785 CB ARG A 50 -17.502 -2.469 -7.245 1.00 0.00 C ATOM 786 CG ARG A 50 -18.183 -1.643 -8.338 1.00 0.00 C ATOM 787 CD ARG A 50 -17.190 -0.622 -8.898 1.00 0.00 C ATOM 788 NE ARG A 50 -16.528 -1.190 -10.106 1.00 0.00 N ATOM 789 CZ ARG A 50 -15.664 -0.476 -10.773 1.00 0.00 C ATOM 790 NH1 ARG A 50 -15.903 0.784 -11.010 1.00 0.00 N ATOM 791 NH2 ARG A 50 -14.560 -1.024 -11.203 1.00 0.00 N ATOM 0 H ARG A 50 -15.629 -2.629 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.564 -0.620 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.475 -2.695 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -18.015 -3.423 -7.122 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -18.538 -2.297 -9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.056 -1.132 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.707 0.303 -9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.444 -0.372 -8.144 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.751 -2.137 -10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.766 1.211 -10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.227 1.342 -11.532 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.374 -2.010 -11.017 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.884 -0.467 -11.725 1.00 0.00 H new ATOM 805 N GLY A 51 -19.273 -1.145 -4.338 1.00 0.00 N ATOM 806 CA GLY A 51 -20.464 -1.420 -3.478 1.00 0.00 C ATOM 807 C GLY A 51 -20.354 -0.605 -2.188 1.00 0.00 C ATOM 808 O GLY A 51 -21.355 -0.194 -1.623 1.00 0.00 O ATOM 0 H GLY A 51 -18.916 -0.191 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.379 -1.159 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.522 -2.483 -3.246 1.00 0.00 H new ATOM 812 N VAL A 52 -19.140 -0.375 -1.725 1.00 0.00 N ATOM 813 CA VAL A 52 -18.930 0.410 -0.467 1.00 0.00 C ATOM 814 C VAL A 52 -19.290 1.878 -0.706 1.00 0.00 C ATOM 815 O VAL A 52 -18.906 2.462 -1.705 1.00 0.00 O ATOM 816 CB VAL A 52 -17.464 0.311 -0.038 1.00 0.00 C ATOM 817 CG1 VAL A 52 -17.286 0.973 1.331 1.00 0.00 C ATOM 818 CG2 VAL A 52 -17.058 -1.161 0.055 1.00 0.00 C ATOM 0 H VAL A 52 -18.283 -0.702 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.568 0.004 0.318 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.837 0.817 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.242 0.902 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.576 2.022 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.914 0.467 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.014 -1.232 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.686 -1.666 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.184 -1.635 -0.918 1.00 0.00 H new ATOM 828 N ILE A 53 -20.025 2.465 0.213 1.00 0.00 N ATOM 829 CA ILE A 53 -20.436 3.898 0.081 1.00 0.00 C ATOM 830 C ILE A 53 -19.839 4.706 1.235 1.00 0.00 C ATOM 831 O ILE A 53 -19.416 5.836 1.055 1.00 0.00 O ATOM 832 CB ILE A 53 -21.963 3.998 0.130 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.594 2.998 -0.856 1.00 0.00 C ATOM 834 CG2 ILE A 53 -22.396 5.419 -0.238 1.00 0.00 C ATOM 835 CD1 ILE A 53 -22.099 3.267 -2.284 1.00 0.00 C ATOM 0 H ILE A 53 -20.360 2.004 1.059 1.00 0.00 H new ATOM 0 HA ILE A 53 -20.075 4.293 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 53 -22.300 3.762 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -22.340 1.979 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -23.680 3.079 -0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -23.483 5.489 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.964 6.126 0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -22.050 5.656 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.555 2.551 -2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -22.376 4.279 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -21.015 3.162 -2.319 1.00 0.00 H new ATOM 847 N PHE A 54 -19.801 4.122 2.413 1.00 0.00 N ATOM 848 CA PHE A 54 -19.233 4.820 3.607 1.00 0.00 C ATOM 849 C PHE A 54 -17.922 4.147 4.023 1.00 0.00 C ATOM 850 O PHE A 54 -17.555 3.109 3.495 1.00 0.00 O ATOM 851 CB PHE A 54 -20.232 4.748 4.762 1.00 0.00 C ATOM 852 CG PHE A 54 -21.267 5.833 4.600 1.00 0.00 C ATOM 853 CD1 PHE A 54 -20.882 7.178 4.601 1.00 0.00 C ATOM 854 CD2 PHE A 54 -22.616 5.492 4.446 1.00 0.00 C ATOM 855 CE1 PHE A 54 -21.846 8.183 4.450 1.00 0.00 C ATOM 856 CE2 PHE A 54 -23.579 6.495 4.295 1.00 0.00 C ATOM 857 CZ PHE A 54 -23.194 7.841 4.297 1.00 0.00 C ATOM 0 H PHE A 54 -20.145 3.179 2.596 1.00 0.00 H new ATOM 0 HA PHE A 54 -19.039 5.863 3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -20.714 3.771 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -19.713 4.865 5.713 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.841 7.442 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -22.913 4.454 4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -21.549 9.221 4.452 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -24.620 6.231 4.177 1.00 0.00 H new ATOM 0 HZ PHE A 54 -23.938 8.615 4.180 1.00 0.00 H new ATOM 867 N SER A 55 -17.222 4.742 4.965 1.00 0.00 N ATOM 868 CA SER A 55 -15.922 4.175 5.442 1.00 0.00 C ATOM 869 C SER A 55 -16.150 2.798 6.067 1.00 0.00 C ATOM 870 O SER A 55 -16.934 2.650 6.989 1.00 0.00 O ATOM 871 CB SER A 55 -15.316 5.111 6.487 1.00 0.00 C ATOM 872 OG SER A 55 -16.198 5.207 7.598 1.00 0.00 O ATOM 0 H SER A 55 -17.503 5.607 5.427 1.00 0.00 H new ATOM 0 HA SER A 55 -15.242 4.075 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.345 4.735 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.148 6.097 6.055 1.00 0.00 H new ATOM 0 HG SER A 55 -16.792 4.428 7.612 1.00 0.00 H new ATOM 878 N ALA A 56 -15.455 1.798 5.567 1.00 0.00 N ATOM 879 CA ALA A 56 -15.590 0.410 6.109 1.00 0.00 C ATOM 880 C ALA A 56 -14.241 -0.297 5.981 1.00 0.00 C ATOM 881 O ALA A 56 -13.507 -0.054 5.041 1.00 0.00 O ATOM 882 CB ALA A 56 -16.650 -0.354 5.310 1.00 0.00 C ATOM 0 H ALA A 56 -14.793 1.890 4.797 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.894 0.446 7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.746 -1.365 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.608 0.160 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.352 -0.402 4.263 1.00 0.00 H new ATOM 888 N ASP A 57 -13.910 -1.163 6.916 1.00 0.00 N ATOM 889 CA ASP A 57 -12.598 -1.885 6.857 1.00 0.00 C ATOM 890 C ASP A 57 -12.801 -3.252 6.205 1.00 0.00 C ATOM 891 O ASP A 57 -13.498 -4.102 6.735 1.00 0.00 O ATOM 892 CB ASP A 57 -12.050 -2.075 8.274 1.00 0.00 C ATOM 893 CG ASP A 57 -12.027 -0.729 9.002 1.00 0.00 C ATOM 894 OD1 ASP A 57 -13.097 -0.204 9.267 1.00 0.00 O ATOM 895 OD2 ASP A 57 -10.943 -0.248 9.284 1.00 0.00 O ATOM 0 H ASP A 57 -14.495 -1.399 7.718 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.889 -1.300 6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.669 -2.785 8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.045 -2.494 8.233 1.00 0.00 H new ATOM 900 N VAL A 58 -12.196 -3.456 5.054 1.00 0.00 N ATOM 901 CA VAL A 58 -12.334 -4.757 4.329 1.00 0.00 C ATOM 902 C VAL A 58 -10.970 -5.455 4.255 1.00 0.00 C ATOM 903 O VAL A 58 -9.954 -4.816 4.038 1.00 0.00 O ATOM 904 CB VAL A 58 -12.871 -4.497 2.913 1.00 0.00 C ATOM 905 CG1 VAL A 58 -11.858 -3.683 2.096 1.00 0.00 C ATOM 906 CG2 VAL A 58 -13.126 -5.836 2.215 1.00 0.00 C ATOM 0 H VAL A 58 -11.608 -2.767 4.585 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.031 -5.401 4.864 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.800 -3.931 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.254 -3.508 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.678 -2.727 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.921 -4.235 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -13.507 -5.656 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -12.194 -6.398 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -13.859 -6.409 2.783 1.00 0.00 H new ATOM 916 N LEU A 59 -10.958 -6.759 4.424 1.00 0.00 N ATOM 917 CA LEU A 59 -9.682 -7.536 4.359 1.00 0.00 C ATOM 918 C LEU A 59 -9.715 -8.443 3.126 1.00 0.00 C ATOM 919 O LEU A 59 -10.684 -9.152 2.905 1.00 0.00 O ATOM 920 CB LEU A 59 -9.544 -8.396 5.623 1.00 0.00 C ATOM 921 CG LEU A 59 -8.544 -7.749 6.582 1.00 0.00 C ATOM 922 CD1 LEU A 59 -8.846 -8.198 8.012 1.00 0.00 C ATOM 923 CD2 LEU A 59 -7.126 -8.182 6.205 1.00 0.00 C ATOM 0 H LEU A 59 -11.789 -7.321 4.606 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.835 -6.853 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.513 -8.501 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.210 -9.399 5.357 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.626 -6.664 6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.134 -7.737 8.696 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.857 -7.895 8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.763 -9.283 8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.411 -7.722 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.046 -9.267 6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.908 -7.866 5.185 1.00 0.00 H new ATOM 935 N SER A 60 -8.663 -8.424 2.328 1.00 0.00 N ATOM 936 CA SER A 60 -8.615 -9.283 1.099 1.00 0.00 C ATOM 937 C SER A 60 -8.765 -10.754 1.505 1.00 0.00 C ATOM 938 O SER A 60 -8.093 -11.225 2.408 1.00 0.00 O ATOM 939 CB SER A 60 -7.283 -9.069 0.373 1.00 0.00 C ATOM 940 OG SER A 60 -6.217 -9.577 1.162 1.00 0.00 O ATOM 0 H SER A 60 -7.836 -7.847 2.480 1.00 0.00 H new ATOM 0 HA SER A 60 -9.429 -9.011 0.427 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.302 -9.570 -0.595 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.130 -8.007 0.180 1.00 0.00 H new ATOM 0 HG SER A 60 -5.820 -10.353 0.714 1.00 0.00 H new ATOM 946 N ASN A 61 -9.656 -11.464 0.847 1.00 0.00 N ATOM 947 CA ASN A 61 -9.894 -12.904 1.176 1.00 0.00 C ATOM 948 C ASN A 61 -8.736 -13.765 0.665 1.00 0.00 C ATOM 949 O ASN A 61 -8.436 -14.802 1.233 1.00 0.00 O ATOM 950 CB ASN A 61 -11.196 -13.363 0.517 1.00 0.00 C ATOM 951 CG ASN A 61 -11.716 -14.609 1.234 1.00 0.00 C ATOM 952 OD1 ASN A 61 -11.192 -15.690 1.057 1.00 0.00 O ATOM 953 ND2 ASN A 61 -12.734 -14.503 2.044 1.00 0.00 N ATOM 0 H ASN A 61 -10.233 -11.100 0.089 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.965 -13.014 2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.939 -12.567 0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.026 -13.581 -0.537 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.089 -15.328 2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.175 -13.595 2.193 1.00 0.00 H new ATOM 960 N SER A 62 -8.096 -13.339 -0.403 1.00 0.00 N ATOM 961 CA SER A 62 -6.952 -14.119 -0.979 1.00 0.00 C ATOM 962 C SER A 62 -5.639 -13.379 -0.724 1.00 0.00 C ATOM 963 O SER A 62 -5.544 -12.181 -0.940 1.00 0.00 O ATOM 964 CB SER A 62 -7.150 -14.292 -2.488 1.00 0.00 C ATOM 965 OG SER A 62 -7.695 -13.098 -3.036 1.00 0.00 O ATOM 0 H SER A 62 -8.320 -12.478 -0.902 1.00 0.00 H new ATOM 0 HA SER A 62 -6.916 -15.098 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.198 -14.522 -2.966 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.817 -15.132 -2.684 1.00 0.00 H new ATOM 0 HG SER A 62 -7.125 -12.338 -2.795 1.00 0.00 H new ATOM 971 N GLU A 63 -4.630 -14.093 -0.272 1.00 0.00 N ATOM 972 CA GLU A 63 -3.300 -13.467 0.004 1.00 0.00 C ATOM 973 C GLU A 63 -2.605 -13.166 -1.325 1.00 0.00 C ATOM 974 O GLU A 63 -2.540 -14.015 -2.199 1.00 0.00 O ATOM 975 CB GLU A 63 -2.439 -14.431 0.822 1.00 0.00 C ATOM 976 CG GLU A 63 -3.140 -14.754 2.144 1.00 0.00 C ATOM 977 CD GLU A 63 -2.534 -16.026 2.740 1.00 0.00 C ATOM 978 OE1 GLU A 63 -2.478 -17.018 2.034 1.00 0.00 O ATOM 979 OE2 GLU A 63 -2.134 -15.985 3.891 1.00 0.00 O ATOM 0 H GLU A 63 -4.676 -15.094 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.439 -12.543 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.266 -15.347 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.463 -13.987 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.028 -13.923 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.209 -14.890 1.979 1.00 0.00 H new ATOM 986 N PHE A 64 -2.090 -11.965 -1.472 1.00 0.00 N ATOM 987 CA PHE A 64 -1.387 -11.578 -2.741 1.00 0.00 C ATOM 988 C PHE A 64 0.100 -11.387 -2.456 1.00 0.00 C ATOM 989 O PHE A 64 0.523 -11.373 -1.308 1.00 0.00 O ATOM 990 CB PHE A 64 -1.940 -10.251 -3.292 1.00 0.00 C ATOM 991 CG PHE A 64 -3.445 -10.179 -3.133 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.266 -11.106 -3.786 1.00 0.00 C ATOM 993 CD2 PHE A 64 -4.014 -9.182 -2.332 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.657 -11.033 -3.639 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.404 -9.110 -2.185 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.226 -10.036 -2.838 1.00 0.00 C ATOM 0 H PHE A 64 -2.127 -11.232 -0.763 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.547 -12.370 -3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.476 -9.415 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.677 -10.154 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.827 -11.877 -4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.380 -8.468 -1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.291 -11.747 -4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.842 -8.340 -1.568 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.299 -9.981 -2.724 1.00 0.00 H new ATOM 1006 N TYR A 65 0.880 -11.204 -3.499 1.00 0.00 N ATOM 1007 CA TYR A 65 2.344 -10.965 -3.326 1.00 0.00 C ATOM 1008 C TYR A 65 2.504 -9.563 -2.750 1.00 0.00 C ATOM 1009 O TYR A 65 1.709 -8.683 -3.047 1.00 0.00 O ATOM 1010 CB TYR A 65 3.058 -11.062 -4.679 1.00 0.00 C ATOM 1011 CG TYR A 65 3.465 -12.495 -4.931 1.00 0.00 C ATOM 1012 CD1 TYR A 65 4.668 -12.984 -4.405 1.00 0.00 C ATOM 1013 CD2 TYR A 65 2.641 -13.337 -5.688 1.00 0.00 C ATOM 1014 CE1 TYR A 65 5.045 -14.313 -4.636 1.00 0.00 C ATOM 1015 CE2 TYR A 65 3.018 -14.666 -5.917 1.00 0.00 C ATOM 1016 CZ TYR A 65 4.220 -15.153 -5.391 1.00 0.00 C ATOM 1017 OH TYR A 65 4.591 -16.464 -5.616 1.00 0.00 O ATOM 0 H TYR A 65 0.559 -11.211 -4.467 1.00 0.00 H new ATOM 0 HA TYR A 65 2.782 -11.710 -2.662 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.400 -10.714 -5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.936 -10.416 -4.686 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.305 -12.336 -3.821 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.714 -12.961 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.973 -14.689 -4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.381 -15.315 -6.500 1.00 0.00 H new ATOM 0 HH TYR A 65 3.906 -16.910 -6.157 1.00 0.00 H new ATOM 1027 N LEU A 66 3.492 -9.353 -1.910 1.00 0.00 N ATOM 1028 CA LEU A 66 3.671 -8.006 -1.282 1.00 0.00 C ATOM 1029 C LEU A 66 5.116 -7.531 -1.413 1.00 0.00 C ATOM 1030 O LEU A 66 6.016 -8.082 -0.799 1.00 0.00 O ATOM 1031 CB LEU A 66 3.312 -8.071 0.214 1.00 0.00 C ATOM 1032 CG LEU A 66 2.065 -8.939 0.433 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.804 -9.097 1.933 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.854 -8.278 -0.230 1.00 0.00 C ATOM 0 H LEU A 66 4.179 -10.054 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 66 3.013 -7.307 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.150 -8.481 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.133 -7.065 0.595 1.00 0.00 H new ATOM 0 HG LEU A 66 2.229 -9.921 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.918 -9.714 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.664 -9.574 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.644 -8.116 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.030 -8.897 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.691 -7.294 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.037 -8.172 -1.299 1.00 0.00 H new ATOM 1046 N ALA A 67 5.323 -6.486 -2.183 1.00 0.00 N ATOM 1047 CA ALA A 67 6.689 -5.904 -2.351 1.00 0.00 C ATOM 1048 C ALA A 67 6.776 -4.685 -1.433 1.00 0.00 C ATOM 1049 O ALA A 67 6.174 -3.660 -1.711 1.00 0.00 O ATOM 1050 CB ALA A 67 6.895 -5.478 -3.808 1.00 0.00 C ATOM 0 H ALA A 67 4.591 -6.008 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 67 7.458 -6.634 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.892 -5.054 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.790 -6.346 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.149 -4.730 -4.077 1.00 0.00 H new ATOM 1056 N GLU A 68 7.485 -4.804 -0.328 1.00 0.00 N ATOM 1057 CA GLU A 68 7.581 -3.666 0.642 1.00 0.00 C ATOM 1058 C GLU A 68 8.987 -3.078 0.663 1.00 0.00 C ATOM 1059 O GLU A 68 9.933 -3.660 0.161 1.00 0.00 O ATOM 1060 CB GLU A 68 7.227 -4.157 2.048 1.00 0.00 C ATOM 1061 CG GLU A 68 8.051 -5.402 2.388 1.00 0.00 C ATOM 1062 CD GLU A 68 8.291 -5.453 3.897 1.00 0.00 C ATOM 1063 OE1 GLU A 68 7.450 -6.000 4.593 1.00 0.00 O ATOM 1064 OE2 GLU A 68 9.310 -4.944 4.332 1.00 0.00 O ATOM 0 H GLU A 68 8.000 -5.642 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 68 6.882 -2.892 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.422 -3.371 2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.163 -4.388 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.526 -6.300 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.003 -5.378 1.857 1.00 0.00 H new ATOM 1071 N CYS A 69 9.103 -1.921 1.267 1.00 0.00 N ATOM 1072 CA CYS A 69 10.412 -1.219 1.389 1.00 0.00 C ATOM 1073 C CYS A 69 10.706 -1.043 2.879 1.00 0.00 C ATOM 1074 O CYS A 69 9.897 -0.487 3.601 1.00 0.00 O ATOM 1075 CB CYS A 69 10.310 0.154 0.716 1.00 0.00 C ATOM 1076 SG CYS A 69 10.100 -0.046 -1.073 1.00 0.00 S ATOM 0 H CYS A 69 8.320 -1.423 1.691 1.00 0.00 H new ATOM 0 HA CYS A 69 11.207 -1.790 0.910 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.468 0.709 1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.208 0.737 0.922 1.00 0.00 H new ATOM 1081 N ASN A 70 11.840 -1.527 3.345 1.00 0.00 N ATOM 1082 CA ASN A 70 12.180 -1.405 4.800 1.00 0.00 C ATOM 1083 C ASN A 70 13.528 -0.699 4.966 1.00 0.00 C ATOM 1084 O ASN A 70 14.568 -1.248 4.641 1.00 0.00 O ATOM 1085 CB ASN A 70 12.252 -2.799 5.426 1.00 0.00 C ATOM 1086 CG ASN A 70 11.817 -2.721 6.890 1.00 0.00 C ATOM 1087 OD1 ASN A 70 12.512 -2.160 7.713 1.00 0.00 O ATOM 1088 ND2 ASN A 70 10.684 -3.258 7.251 1.00 0.00 N ATOM 0 H ASN A 70 12.543 -2.001 2.777 1.00 0.00 H new ATOM 0 HA ASN A 70 11.408 -0.820 5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.608 -3.489 4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.268 -3.189 5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.382 -3.207 8.224 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.100 -3.729 6.560 1.00 0.00 H new ATOM 1095 N VAL A 71 13.502 0.516 5.474 1.00 0.00 N ATOM 1096 CA VAL A 71 14.759 1.301 5.683 1.00 0.00 C ATOM 1097 C VAL A 71 15.614 0.604 6.750 1.00 0.00 C ATOM 1098 O VAL A 71 15.124 0.245 7.810 1.00 0.00 O ATOM 1099 CB VAL A 71 14.391 2.728 6.132 1.00 0.00 C ATOM 1100 CG1 VAL A 71 15.652 3.523 6.493 1.00 0.00 C ATOM 1101 CG2 VAL A 71 13.661 3.448 4.994 1.00 0.00 C ATOM 0 H VAL A 71 12.649 1.000 5.755 1.00 0.00 H new ATOM 0 HA VAL A 71 15.330 1.358 4.756 1.00 0.00 H new ATOM 0 HB VAL A 71 13.749 2.660 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 71 15.371 4.528 6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.178 3.022 7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.305 3.585 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.400 4.458 5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.310 3.498 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.753 2.901 4.741 1.00 0.00 H new ATOM 1111 N LYS A 72 16.884 0.413 6.463 1.00 0.00 N ATOM 1112 CA LYS A 72 17.807 -0.263 7.431 1.00 0.00 C ATOM 1113 C LYS A 72 18.143 0.708 8.585 1.00 0.00 C ATOM 1114 O LYS A 72 18.320 1.888 8.339 1.00 0.00 O ATOM 1115 CB LYS A 72 19.102 -0.655 6.710 1.00 0.00 C ATOM 1116 CG LYS A 72 18.776 -1.462 5.449 1.00 0.00 C ATOM 1117 CD LYS A 72 19.958 -1.389 4.479 1.00 0.00 C ATOM 1118 CE LYS A 72 19.649 -2.208 3.226 1.00 0.00 C ATOM 1119 NZ LYS A 72 20.655 -1.897 2.170 1.00 0.00 N ATOM 0 H LYS A 72 17.323 0.701 5.588 1.00 0.00 H new ATOM 0 HA LYS A 72 17.324 -1.155 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.665 0.240 6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.734 -1.243 7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 72 18.570 -2.500 5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.877 -1.069 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.154 -0.352 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.859 -1.769 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.668 -3.272 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.646 -1.979 2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.446 -2.454 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.615 -0.883 1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.606 -2.137 2.515 1.00 0.00 H new ATOM 1133 N PRO A 73 18.222 0.196 9.813 1.00 0.00 N ATOM 1134 CA PRO A 73 18.539 1.027 10.998 1.00 0.00 C ATOM 1135 C PRO A 73 20.051 1.272 11.111 1.00 0.00 C ATOM 1136 O PRO A 73 20.849 0.485 10.629 1.00 0.00 O ATOM 1137 CB PRO A 73 18.046 0.180 12.175 1.00 0.00 C ATOM 1138 CG PRO A 73 18.017 -1.286 11.681 1.00 0.00 C ATOM 1139 CD PRO A 73 18.000 -1.236 10.143 1.00 0.00 C ATOM 0 HA PRO A 73 18.076 2.013 10.954 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.709 0.287 13.034 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.055 0.501 12.495 1.00 0.00 H new ATOM 0 HG2 PRO A 73 18.889 -1.832 12.040 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.137 -1.805 12.061 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.780 -1.867 9.717 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.050 -1.592 9.745 1.00 0.00 H new ATOM 1147 N ARG A 74 20.436 2.360 11.752 1.00 0.00 N ATOM 1148 CA ARG A 74 21.889 2.696 11.929 1.00 0.00 C ATOM 1149 C ARG A 74 22.513 2.990 10.558 1.00 0.00 C ATOM 1150 O ARG A 74 23.679 2.711 10.317 1.00 0.00 O ATOM 1151 CB ARG A 74 22.613 1.520 12.613 1.00 0.00 C ATOM 1152 CG ARG A 74 23.141 1.961 13.985 1.00 0.00 C ATOM 1153 CD ARG A 74 23.571 0.738 14.804 1.00 0.00 C ATOM 1154 NE ARG A 74 24.950 0.951 15.329 1.00 0.00 N ATOM 1155 CZ ARG A 74 25.891 0.087 15.061 1.00 0.00 C ATOM 1156 NH1 ARG A 74 25.793 -1.142 15.490 1.00 0.00 N ATOM 1157 NH2 ARG A 74 26.934 0.452 14.367 1.00 0.00 N ATOM 0 H ARG A 74 19.793 3.036 12.164 1.00 0.00 H new ATOM 0 HA ARG A 74 21.990 3.580 12.559 1.00 0.00 H new ATOM 0 HB2 ARG A 74 21.930 0.679 12.729 1.00 0.00 H new ATOM 0 HB3 ARG A 74 23.438 1.177 11.989 1.00 0.00 H new ATOM 0 HG2 ARG A 74 23.986 2.638 13.857 1.00 0.00 H new ATOM 0 HG3 ARG A 74 22.368 2.513 14.520 1.00 0.00 H new ATOM 0 HD2 ARG A 74 22.877 0.577 15.629 1.00 0.00 H new ATOM 0 HD3 ARG A 74 23.541 -0.157 14.183 1.00 0.00 H new ATOM 0 HE ARG A 74 25.158 1.772 15.898 1.00 0.00 H new ATOM 0 HH11 ARG A 74 24.980 -1.428 16.036 1.00 0.00 H new ATOM 0 HH12 ARG A 74 26.529 -1.816 15.280 1.00 0.00 H new ATOM 0 HH21 ARG A 74 27.014 1.413 14.034 1.00 0.00 H new ATOM 0 HH22 ARG A 74 27.669 -0.223 14.158 1.00 0.00 H new ATOM 1171 N LYS A 75 21.733 3.560 9.664 1.00 0.00 N ATOM 1172 CA LYS A 75 22.243 3.896 8.295 1.00 0.00 C ATOM 1173 C LYS A 75 21.445 5.084 7.718 1.00 0.00 C ATOM 1174 O LYS A 75 20.458 5.489 8.306 1.00 0.00 O ATOM 1175 CB LYS A 75 22.084 2.666 7.389 1.00 0.00 C ATOM 1176 CG LYS A 75 23.458 2.047 7.111 1.00 0.00 C ATOM 1177 CD LYS A 75 23.288 0.581 6.716 1.00 0.00 C ATOM 1178 CE LYS A 75 24.484 -0.227 7.222 1.00 0.00 C ATOM 1179 NZ LYS A 75 24.441 -1.594 6.630 1.00 0.00 N ATOM 0 H LYS A 75 20.757 3.808 9.828 1.00 0.00 H new ATOM 0 HA LYS A 75 23.295 4.175 8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.434 1.933 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 75 21.607 2.952 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 75 23.960 2.594 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 75 24.089 2.125 7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.364 0.185 7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.208 0.492 5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 75 25.415 0.270 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.462 -0.289 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.253 -2.146 6.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.558 -2.066 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.482 -1.525 5.593 1.00 0.00 H new ATOM 1193 N PRO A 76 21.891 5.617 6.582 1.00 0.00 N ATOM 1194 CA PRO A 76 21.218 6.762 5.929 1.00 0.00 C ATOM 1195 C PRO A 76 19.898 6.314 5.291 1.00 0.00 C ATOM 1196 O PRO A 76 19.368 5.271 5.633 1.00 0.00 O ATOM 1197 CB PRO A 76 22.233 7.237 4.879 1.00 0.00 C ATOM 1198 CG PRO A 76 23.168 6.040 4.604 1.00 0.00 C ATOM 1199 CD PRO A 76 23.087 5.129 5.843 1.00 0.00 C ATOM 0 HA PRO A 76 20.950 7.559 6.623 1.00 0.00 H new ATOM 0 HB2 PRO A 76 21.728 7.553 3.966 1.00 0.00 H new ATOM 0 HB3 PRO A 76 22.797 8.095 5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 76 22.858 5.504 3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 76 24.191 6.377 4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.980 4.082 5.560 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.988 5.204 6.451 1.00 0.00 H new ATOM 1207 N CYS A 77 19.364 7.105 4.382 1.00 0.00 N ATOM 1208 CA CYS A 77 18.067 6.762 3.715 1.00 0.00 C ATOM 1209 C CYS A 77 18.271 5.578 2.749 1.00 0.00 C ATOM 1210 O CYS A 77 18.084 5.690 1.545 1.00 0.00 O ATOM 1211 CB CYS A 77 17.543 7.994 2.963 1.00 0.00 C ATOM 1212 SG CYS A 77 16.479 8.964 4.062 1.00 0.00 S ATOM 0 H CYS A 77 19.780 7.984 4.073 1.00 0.00 H new ATOM 0 HA CYS A 77 17.333 6.468 4.465 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.377 8.603 2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 77 16.985 7.684 2.079 1.00 0.00 H new ATOM 1217 N LYS A 78 18.641 4.439 3.293 1.00 0.00 N ATOM 1218 CA LYS A 78 18.850 3.210 2.463 1.00 0.00 C ATOM 1219 C LYS A 78 17.648 2.287 2.654 1.00 0.00 C ATOM 1220 O LYS A 78 17.299 1.944 3.773 1.00 0.00 O ATOM 1221 CB LYS A 78 20.128 2.496 2.912 1.00 0.00 C ATOM 1222 CG LYS A 78 21.290 2.885 1.988 1.00 0.00 C ATOM 1223 CD LYS A 78 22.535 3.175 2.828 1.00 0.00 C ATOM 1224 CE LYS A 78 23.311 1.878 3.070 1.00 0.00 C ATOM 1225 NZ LYS A 78 24.454 1.803 2.118 1.00 0.00 N ATOM 0 H LYS A 78 18.809 4.310 4.291 1.00 0.00 H new ATOM 0 HA LYS A 78 18.949 3.480 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 78 20.364 2.765 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.980 1.416 2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 78 21.494 2.079 1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.023 3.763 1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 78 23.169 3.899 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 78 22.247 3.620 3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 78 23.675 1.845 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 78 22.655 1.018 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 24.983 0.923 2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 24.095 1.816 1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 25.083 2.618 2.266 1.00 0.00 H new ATOM 1239 N TYR A 79 17.007 1.901 1.571 1.00 0.00 N ATOM 1240 CA TYR A 79 15.804 1.015 1.665 1.00 0.00 C ATOM 1241 C TYR A 79 16.178 -0.433 1.332 1.00 0.00 C ATOM 1242 O TYR A 79 17.152 -0.691 0.645 1.00 0.00 O ATOM 1243 CB TYR A 79 14.734 1.507 0.677 1.00 0.00 C ATOM 1244 CG TYR A 79 13.545 2.077 1.423 1.00 0.00 C ATOM 1245 CD1 TYR A 79 12.973 1.371 2.488 1.00 0.00 C ATOM 1246 CD2 TYR A 79 13.010 3.306 1.035 1.00 0.00 C ATOM 1247 CE1 TYR A 79 11.867 1.897 3.165 1.00 0.00 C ATOM 1248 CE2 TYR A 79 11.904 3.835 1.710 1.00 0.00 C ATOM 1249 CZ TYR A 79 11.331 3.131 2.774 1.00 0.00 C ATOM 1250 OH TYR A 79 10.239 3.652 3.439 1.00 0.00 O ATOM 0 H TYR A 79 17.270 2.165 0.622 1.00 0.00 H new ATOM 0 HA TYR A 79 15.416 1.052 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.158 2.268 0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 79 14.411 0.683 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 79 13.386 0.419 2.788 1.00 0.00 H new ATOM 0 HD2 TYR A 79 13.450 3.850 0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.427 1.353 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.493 4.787 1.409 1.00 0.00 H new ATOM 0 HH TYR A 79 9.995 4.514 3.042 1.00 0.00 H new ATOM 1260 N LYS A 80 15.386 -1.366 1.817 1.00 0.00 N ATOM 1261 CA LYS A 80 15.636 -2.817 1.555 1.00 0.00 C ATOM 1262 C LYS A 80 14.381 -3.437 0.933 1.00 0.00 C ATOM 1263 O LYS A 80 13.273 -3.158 1.361 1.00 0.00 O ATOM 1264 CB LYS A 80 15.955 -3.525 2.871 1.00 0.00 C ATOM 1265 CG LYS A 80 16.353 -4.971 2.581 1.00 0.00 C ATOM 1266 CD LYS A 80 17.800 -5.008 2.093 1.00 0.00 C ATOM 1267 CE LYS A 80 18.072 -6.344 1.394 1.00 0.00 C ATOM 1268 NZ LYS A 80 19.488 -6.748 1.627 1.00 0.00 N ATOM 0 H LYS A 80 14.565 -1.176 2.392 1.00 0.00 H new ATOM 0 HA LYS A 80 16.478 -2.928 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.764 -3.009 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.088 -3.499 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.245 -5.577 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.692 -5.398 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.984 -4.182 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.482 -4.881 2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.397 -7.110 1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 80 17.880 -6.253 0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.673 -7.655 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.124 -6.020 1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.656 -6.851 2.648 1.00 0.00 H new ATOM 1282 N LEU A 81 14.553 -4.271 -0.072 1.00 0.00 N ATOM 1283 CA LEU A 81 13.386 -4.922 -0.748 1.00 0.00 C ATOM 1284 C LEU A 81 12.971 -6.173 0.036 1.00 0.00 C ATOM 1285 O LEU A 81 13.804 -6.997 0.376 1.00 0.00 O ATOM 1286 CB LEU A 81 13.789 -5.315 -2.179 1.00 0.00 C ATOM 1287 CG LEU A 81 12.704 -4.893 -3.182 1.00 0.00 C ATOM 1288 CD1 LEU A 81 11.387 -5.601 -2.853 1.00 0.00 C ATOM 1289 CD2 LEU A 81 12.495 -3.375 -3.124 1.00 0.00 C ATOM 0 H LEU A 81 15.463 -4.528 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 81 12.546 -4.228 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.736 -4.842 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.945 -6.392 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 81 13.026 -5.173 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.622 -5.297 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.530 -6.680 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.070 -5.330 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.724 -3.086 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.184 -3.089 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.428 -2.869 -3.373 1.00 0.00 H new ATOM 1301 N LYS A 82 11.688 -6.317 0.315 1.00 0.00 N ATOM 1302 CA LYS A 82 11.192 -7.511 1.075 1.00 0.00 C ATOM 1303 C LYS A 82 9.913 -8.034 0.417 1.00 0.00 C ATOM 1304 O LYS A 82 8.973 -7.286 0.202 1.00 0.00 O ATOM 1305 CB LYS A 82 10.898 -7.114 2.526 1.00 0.00 C ATOM 1306 CG LYS A 82 12.084 -7.499 3.416 1.00 0.00 C ATOM 1307 CD LYS A 82 12.114 -6.590 4.645 1.00 0.00 C ATOM 1308 CE LYS A 82 13.107 -7.144 5.669 1.00 0.00 C ATOM 1309 NZ LYS A 82 13.704 -6.014 6.436 1.00 0.00 N ATOM 0 H LYS A 82 10.963 -5.652 0.045 1.00 0.00 H new ATOM 0 HA LYS A 82 11.954 -8.291 1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.716 -6.041 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.993 -7.612 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.999 -8.541 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.016 -7.406 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.401 -5.579 4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.119 -6.525 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.602 -7.832 6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.890 -7.710 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.380 -6.386 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.198 -5.374 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.951 -5.492 6.928 1.00 0.00 H new ATOM 1323 N LYS A 83 9.881 -9.312 0.099 1.00 0.00 N ATOM 1324 CA LYS A 83 8.678 -9.919 -0.551 1.00 0.00 C ATOM 1325 C LYS A 83 7.933 -10.797 0.457 1.00 0.00 C ATOM 1326 O LYS A 83 8.542 -11.400 1.326 1.00 0.00 O ATOM 1327 CB LYS A 83 9.123 -10.781 -1.735 1.00 0.00 C ATOM 1328 CG LYS A 83 10.169 -11.804 -1.267 1.00 0.00 C ATOM 1329 CD LYS A 83 11.566 -11.350 -1.695 1.00 0.00 C ATOM 1330 CE LYS A 83 12.463 -12.576 -1.878 1.00 0.00 C ATOM 1331 NZ LYS A 83 13.484 -12.297 -2.928 1.00 0.00 N ATOM 0 H LYS A 83 10.648 -9.963 0.266 1.00 0.00 H new ATOM 0 HA LYS A 83 8.017 -9.125 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.264 -11.296 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.542 -10.150 -2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.127 -11.910 -0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.949 -12.783 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.508 -10.786 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.990 -10.684 -0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.953 -12.824 -0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.862 -13.440 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.093 -13.131 -3.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.008 -12.081 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.065 -11.484 -2.640 1.00 0.00 H new ATOM 1345 N SER A 84 6.623 -10.869 0.337 1.00 0.00 N ATOM 1346 CA SER A 84 5.807 -11.707 1.274 1.00 0.00 C ATOM 1347 C SER A 84 4.448 -12.015 0.640 1.00 0.00 C ATOM 1348 O SER A 84 4.134 -11.534 -0.434 1.00 0.00 O ATOM 1349 CB SER A 84 5.597 -10.951 2.589 1.00 0.00 C ATOM 1350 OG SER A 84 5.323 -9.584 2.311 1.00 0.00 O ATOM 0 H SER A 84 6.084 -10.378 -0.376 1.00 0.00 H new ATOM 0 HA SER A 84 6.334 -12.641 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.771 -11.392 3.147 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.485 -11.035 3.215 1.00 0.00 H new ATOM 0 HG SER A 84 5.187 -9.100 3.152 1.00 0.00 H new ATOM 1356 N SER A 85 3.649 -12.815 1.310 1.00 0.00 N ATOM 1357 CA SER A 85 2.293 -13.180 0.788 1.00 0.00 C ATOM 1358 C SER A 85 1.288 -13.094 1.936 1.00 0.00 C ATOM 1359 O SER A 85 1.409 -13.810 2.917 1.00 0.00 O ATOM 1360 CB SER A 85 2.322 -14.607 0.237 1.00 0.00 C ATOM 1361 OG SER A 85 3.037 -15.443 1.139 1.00 0.00 O ATOM 0 H SER A 85 3.884 -13.236 2.209 1.00 0.00 H new ATOM 0 HA SER A 85 2.005 -12.496 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.306 -14.979 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.796 -14.621 -0.744 1.00 0.00 H new ATOM 0 HG SER A 85 2.733 -15.272 2.055 1.00 0.00 H new ATOM 1367 N ASN A 86 0.313 -12.212 1.827 1.00 0.00 N ATOM 1368 CA ASN A 86 -0.698 -12.059 2.922 1.00 0.00 C ATOM 1369 C ASN A 86 -1.837 -11.140 2.469 1.00 0.00 C ATOM 1370 O ASN A 86 -1.758 -10.505 1.430 1.00 0.00 O ATOM 1371 CB ASN A 86 -0.007 -11.448 4.147 1.00 0.00 C ATOM 1372 CG ASN A 86 -0.833 -11.725 5.403 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -0.838 -12.829 5.911 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -1.539 -10.761 5.928 1.00 0.00 N ATOM 0 H ASN A 86 0.178 -11.595 1.026 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.114 -13.035 3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.993 -11.868 4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.112 -10.373 4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.095 -10.934 6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.534 -9.835 5.501 1.00 0.00 H new ATOM 1381 N ARG A 87 -2.889 -11.071 3.261 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.059 -10.199 2.932 1.00 0.00 C ATOM 1383 C ARG A 87 -3.833 -8.809 3.540 1.00 0.00 C ATOM 1384 O ARG A 87 -2.888 -8.603 4.285 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.327 -10.820 3.525 1.00 0.00 C ATOM 1386 CG ARG A 87 -5.533 -12.214 2.927 1.00 0.00 C ATOM 1387 CD ARG A 87 -6.478 -13.023 3.817 1.00 0.00 C ATOM 1388 NE ARG A 87 -5.688 -13.761 4.841 1.00 0.00 N ATOM 1389 CZ ARG A 87 -6.291 -14.296 5.869 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -6.612 -13.556 6.895 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -6.568 -15.571 5.869 1.00 0.00 N ATOM 0 H ARG A 87 -2.982 -11.592 4.133 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.168 -10.110 1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.241 -10.886 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.189 -10.189 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.946 -12.131 1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.575 -12.727 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.193 -12.360 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.053 -13.724 3.212 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.677 -13.849 4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.392 -12.560 6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.083 -13.974 7.698 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.314 -16.148 5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.039 -15.991 6.671 1.00 0.00 H new ATOM 1405 N ILE A 88 -4.690 -7.857 3.224 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.529 -6.472 3.774 1.00 0.00 C ATOM 1407 C ILE A 88 -5.892 -5.877 4.130 1.00 0.00 C ATOM 1408 O ILE A 88 -6.862 -6.051 3.410 1.00 0.00 O ATOM 1409 CB ILE A 88 -3.843 -5.579 2.736 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -4.542 -5.728 1.380 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.378 -5.991 2.603 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.344 -4.452 0.559 1.00 0.00 C ATOM 0 H ILE A 88 -5.493 -7.984 2.608 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.918 -6.525 4.675 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.903 -4.539 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.137 -6.585 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.605 -5.917 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.887 -5.357 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.880 -5.879 3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.320 -7.031 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.841 -4.559 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.770 -3.604 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.279 -4.283 0.401 1.00 0.00 H new ATOM 1424 N CYS A 89 -5.950 -5.168 5.236 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.223 -4.524 5.683 1.00 0.00 C ATOM 1426 C CYS A 89 -7.192 -3.049 5.284 1.00 0.00 C ATOM 1427 O CYS A 89 -6.335 -2.304 5.731 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.342 -4.641 7.204 1.00 0.00 C ATOM 1429 SG CYS A 89 -9.015 -4.191 7.721 1.00 0.00 S ATOM 0 H CYS A 89 -5.155 -5.008 5.855 1.00 0.00 H new ATOM 0 HA CYS A 89 -8.076 -5.016 5.217 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -7.115 -5.660 7.519 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.614 -3.989 7.687 1.00 0.00 H new ATOM 0 HG CYS A 89 -9.861 -5.064 7.261 1.00 0.00 H new ATOM 1434 N ILE A 90 -8.110 -2.633 4.436 1.00 0.00 N ATOM 1435 CA ILE A 90 -8.139 -1.205 3.977 1.00 0.00 C ATOM 1436 C ILE A 90 -9.484 -0.560 4.325 1.00 0.00 C ATOM 1437 O ILE A 90 -10.482 -1.244 4.489 1.00 0.00 O ATOM 1438 CB ILE A 90 -7.931 -1.162 2.460 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -9.000 -2.015 1.767 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -6.547 -1.717 2.120 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -8.907 -1.840 0.246 1.00 0.00 C ATOM 0 H ILE A 90 -8.842 -3.225 4.042 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.345 -0.653 4.479 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.009 -0.131 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.866 -3.064 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.991 -1.724 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.398 -1.687 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.783 -1.113 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.473 -2.747 2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -9.670 -2.450 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.064 -0.792 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.921 -2.154 -0.097 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.510 0.757 4.415 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.776 1.486 4.725 1.00 0.00 C ATOM 1455 C ARG A 91 -11.364 1.972 3.403 1.00 0.00 C ATOM 1456 O ARG A 91 -10.765 2.790 2.721 1.00 0.00 O ATOM 1457 CB ARG A 91 -10.472 2.674 5.640 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.767 3.174 6.283 1.00 0.00 C ATOM 1459 CD ARG A 91 -11.453 4.356 7.203 1.00 0.00 C ATOM 1460 NE ARG A 91 -11.024 3.849 8.537 1.00 0.00 N ATOM 1461 CZ ARG A 91 -10.869 4.680 9.530 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -9.735 5.309 9.682 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -11.847 4.885 10.370 1.00 0.00 N ATOM 0 H ARG A 91 -8.695 1.357 4.284 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.486 0.835 5.236 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.762 2.378 6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.005 3.476 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.476 3.477 5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.238 2.372 6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.666 4.971 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.332 4.991 7.309 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.852 2.853 8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.972 5.150 9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.613 5.959 10.458 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.733 4.395 10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.725 5.535 11.146 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.509 1.446 3.022 1.00 0.00 N ATOM 1478 CA CYS A 92 -13.129 1.836 1.719 1.00 0.00 C ATOM 1479 C CYS A 92 -14.376 2.691 1.927 1.00 0.00 C ATOM 1480 O CYS A 92 -15.190 2.434 2.798 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.514 0.575 0.944 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.717 0.993 -0.804 1.00 0.00 S ATOM 0 H CYS A 92 -13.039 0.762 3.562 1.00 0.00 H new ATOM 0 HA CYS A 92 -12.399 2.422 1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.744 -0.188 1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.440 0.158 1.341 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.523 3.689 1.091 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.709 4.598 1.141 1.00 0.00 C ATOM 1489 C GLU A 93 -15.869 5.196 -0.248 1.00 0.00 C ATOM 1490 O GLU A 93 -14.888 5.496 -0.891 1.00 0.00 O ATOM 1491 CB GLU A 93 -15.499 5.719 2.165 1.00 0.00 C ATOM 1492 CG GLU A 93 -14.092 6.307 2.024 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.851 7.323 3.140 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -14.484 8.365 3.111 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -13.040 7.040 4.006 1.00 0.00 O ATOM 0 H GLU A 93 -13.852 3.917 0.357 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.597 4.042 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -16.244 6.501 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.640 5.331 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.347 5.512 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.982 6.786 1.051 1.00 0.00 H new ATOM 1502 N HIS A 94 -17.088 5.338 -0.719 1.00 0.00 N ATOM 1503 CA HIS A 94 -17.327 5.887 -2.093 1.00 0.00 C ATOM 1504 C HIS A 94 -16.702 4.930 -3.125 1.00 0.00 C ATOM 1505 O HIS A 94 -16.309 5.335 -4.209 1.00 0.00 O ATOM 1506 CB HIS A 94 -16.699 7.285 -2.222 1.00 0.00 C ATOM 1507 CG HIS A 94 -17.347 8.225 -1.242 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.610 8.758 -1.452 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.918 8.742 -0.045 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.893 9.556 -0.406 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -17.895 9.582 0.480 1.00 0.00 N ATOM 0 H HIS A 94 -17.934 5.094 -0.204 1.00 0.00 H new ATOM 0 HA HIS A 94 -18.399 5.974 -2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.627 7.231 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -16.826 7.659 -3.238 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.966 8.529 0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.815 10.108 -0.297 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.857 10.106 1.355 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.625 3.655 -2.784 1.00 0.00 N ATOM 1520 CA GLU A 95 -16.047 2.624 -3.707 1.00 0.00 C ATOM 1521 C GLU A 95 -14.551 2.899 -3.953 1.00 0.00 C ATOM 1522 O GLU A 95 -14.032 2.627 -5.029 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.814 2.635 -5.037 1.00 0.00 C ATOM 1524 CG GLU A 95 -18.306 2.424 -4.772 1.00 0.00 C ATOM 1525 CD GLU A 95 -18.984 1.933 -6.053 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -18.924 2.644 -7.041 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -19.551 0.853 -6.022 1.00 0.00 O ATOM 0 H GLU A 95 -16.945 3.286 -1.889 1.00 0.00 H new ATOM 0 HA GLU A 95 -16.144 1.641 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.656 3.583 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.436 1.850 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.445 1.697 -3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -18.763 3.356 -4.439 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.854 3.417 -2.958 1.00 0.00 N ATOM 1535 CA LEU A 96 -12.387 3.698 -3.121 1.00 0.00 C ATOM 1536 C LEU A 96 -11.675 3.640 -1.748 1.00 0.00 C ATOM 1537 O LEU A 96 -12.114 4.293 -0.819 1.00 0.00 O ATOM 1538 CB LEU A 96 -12.176 5.083 -3.765 1.00 0.00 C ATOM 1539 CG LEU A 96 -13.076 6.146 -3.124 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -12.375 6.769 -1.906 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -13.372 7.236 -4.157 1.00 0.00 C ATOM 0 H LEU A 96 -14.239 3.655 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.959 2.937 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.132 5.378 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.385 5.024 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.006 5.682 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.023 7.522 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.162 5.992 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.442 7.235 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.012 7.997 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.437 7.693 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.878 6.795 -5.016 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.587 2.867 -1.647 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.816 2.747 -0.388 1.00 0.00 C ATOM 1555 C PRO A 97 -8.944 3.988 -0.205 1.00 0.00 C ATOM 1556 O PRO A 97 -8.078 4.271 -1.019 1.00 0.00 O ATOM 1557 CB PRO A 97 -8.960 1.494 -0.594 1.00 0.00 C ATOM 1558 CG PRO A 97 -8.848 1.290 -2.120 1.00 0.00 C ATOM 1559 CD PRO A 97 -10.027 2.051 -2.754 1.00 0.00 C ATOM 0 HA PRO A 97 -10.442 2.670 0.501 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.974 1.619 -0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.419 0.627 -0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.897 1.670 -2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.890 0.231 -2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.694 2.679 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.772 1.364 -3.156 1.00 0.00 H new ATOM 1567 N VAL A 98 -9.196 4.738 0.842 1.00 0.00 N ATOM 1568 CA VAL A 98 -8.424 5.995 1.094 1.00 0.00 C ATOM 1569 C VAL A 98 -7.418 5.816 2.239 1.00 0.00 C ATOM 1570 O VAL A 98 -6.525 6.633 2.398 1.00 0.00 O ATOM 1571 CB VAL A 98 -9.415 7.102 1.457 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -10.378 7.310 0.289 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -10.216 6.695 2.699 1.00 0.00 C ATOM 0 H VAL A 98 -9.911 4.530 1.539 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.863 6.252 0.195 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.870 8.023 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.089 8.098 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.816 7.597 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.918 6.384 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.920 7.487 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.763 5.775 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.535 6.533 3.534 1.00 0.00 H new ATOM 1583 N HIS A 99 -7.567 4.781 3.045 1.00 0.00 N ATOM 1584 CA HIS A 99 -6.624 4.581 4.195 1.00 0.00 C ATOM 1585 C HIS A 99 -6.303 3.098 4.392 1.00 0.00 C ATOM 1586 O HIS A 99 -7.010 2.226 3.917 1.00 0.00 O ATOM 1587 CB HIS A 99 -7.268 5.126 5.473 1.00 0.00 C ATOM 1588 CG HIS A 99 -7.481 6.608 5.340 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -8.737 7.187 5.429 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -6.605 7.645 5.129 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -8.585 8.515 5.274 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -7.305 8.848 5.087 1.00 0.00 N ATOM 0 H HIS A 99 -8.296 4.074 2.954 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.697 5.111 3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.220 4.627 5.654 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.630 4.916 6.331 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.536 7.543 5.013 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.399 9.225 5.298 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.923 9.783 4.944 1.00 0.00 H new ATOM 1600 N PHE A 100 -5.235 2.830 5.114 1.00 0.00 N ATOM 1601 CA PHE A 100 -4.810 1.426 5.406 1.00 0.00 C ATOM 1602 C PHE A 100 -5.172 1.111 6.861 1.00 0.00 C ATOM 1603 O PHE A 100 -4.631 1.711 7.776 1.00 0.00 O ATOM 1604 CB PHE A 100 -3.293 1.315 5.216 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.881 -0.137 5.138 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -3.136 -0.879 3.979 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -2.234 -0.736 6.224 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -2.745 -2.223 3.908 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -1.842 -2.078 6.153 1.00 0.00 C ATOM 1610 CZ PHE A 100 -2.097 -2.822 4.995 1.00 0.00 C ATOM 0 H PHE A 100 -4.630 3.544 5.520 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.308 0.725 4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.994 1.835 4.306 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.779 1.802 6.044 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.634 -0.416 3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.037 -0.163 7.118 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.944 -2.797 3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.343 -2.540 6.992 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.794 -3.857 4.940 1.00 0.00 H new ATOM 1620 N ALA A 101 -6.089 0.190 7.074 1.00 0.00 N ATOM 1621 CA ALA A 101 -6.516 -0.166 8.465 1.00 0.00 C ATOM 1622 C ALA A 101 -5.455 -1.041 9.124 1.00 0.00 C ATOM 1623 O ALA A 101 -5.002 -0.755 10.222 1.00 0.00 O ATOM 1624 CB ALA A 101 -7.836 -0.936 8.414 1.00 0.00 C ATOM 0 H ALA A 101 -6.561 -0.332 6.336 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.644 0.749 9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.146 -1.195 9.427 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.601 -0.316 7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.703 -1.848 7.831 1.00 0.00 H new ATOM 1630 N GLY A 102 -5.067 -2.106 8.459 1.00 0.00 N ATOM 1631 CA GLY A 102 -4.036 -3.031 9.025 1.00 0.00 C ATOM 1632 C GLY A 102 -3.732 -4.145 8.023 1.00 0.00 C ATOM 1633 O GLY A 102 -3.952 -3.993 6.832 1.00 0.00 O ATOM 0 H GLY A 102 -5.424 -2.374 7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.125 -2.478 9.255 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.394 -3.459 9.961 1.00 0.00 H new ATOM 1637 N VAL A 103 -3.212 -5.253 8.509 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.859 -6.399 7.618 1.00 0.00 C ATOM 1639 C VAL A 103 -3.306 -7.725 8.256 1.00 0.00 C ATOM 1640 O VAL A 103 -3.273 -7.879 9.466 1.00 0.00 O ATOM 1641 CB VAL A 103 -1.339 -6.396 7.413 1.00 0.00 C ATOM 1642 CG1 VAL A 103 -0.623 -6.612 8.753 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.944 -7.506 6.438 1.00 0.00 C ATOM 0 H VAL A 103 -3.017 -5.408 9.498 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.366 -6.297 6.659 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.043 -5.431 7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.455 -6.608 8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.891 -5.811 9.442 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.924 -7.571 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.137 -7.499 6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.250 -8.471 6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.436 -7.341 5.480 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.700 -8.680 7.437 1.00 0.00 N ATOM 1654 CA GLY A 104 -4.137 -10.017 7.955 1.00 0.00 C ATOM 1655 C GLY A 104 -5.414 -9.878 8.786 1.00 0.00 C ATOM 1656 O GLY A 104 -6.505 -10.128 8.299 1.00 0.00 O ATOM 0 H GLY A 104 -3.736 -8.585 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.311 -10.698 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.346 -10.454 8.564 1.00 0.00 H new ATOM 1660 N ILE A 105 -5.277 -9.493 10.039 1.00 0.00 N ATOM 1661 CA ILE A 105 -6.468 -9.344 10.937 1.00 0.00 C ATOM 1662 C ILE A 105 -6.732 -7.862 11.213 1.00 0.00 C ATOM 1663 O ILE A 105 -5.815 -7.095 11.454 1.00 0.00 O ATOM 1664 CB ILE A 105 -6.214 -10.068 12.266 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -4.844 -9.668 12.824 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -6.247 -11.580 12.041 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -4.815 -9.920 14.333 1.00 0.00 C ATOM 0 H ILE A 105 -4.383 -9.275 10.478 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.336 -9.782 10.444 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.990 -9.787 12.978 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.058 -10.242 12.333 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.648 -8.616 12.616 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.066 -12.092 12.986 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.224 -11.869 11.652 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.475 -11.858 11.324 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.841 -9.636 14.731 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.591 -9.327 14.816 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.992 -10.978 14.529 1.00 0.00 H new