USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 486 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 Single : A 10 TYR OH : rot 45:sc= 0.109 USER MOD Single : A 12 SER OG : rot 69:sc= 0.213 USER MOD Single : A 13 MET CE :methyl 170:sc= -2.31 (180deg=-2.72) USER MOD Single : A 14 LYS NZ :NH3+ 134:sc= -0.221 (180deg=-0.98) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0347 USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.375 (180deg=-1.53!) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -0.125 (180deg=-0.519) USER MOD Single : A 24 ASN : amide:sc= -0.484 K(o=-0.48,f=0.23) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.19) USER MOD Single : A 34 HIS : no HD1:sc= -0.667 K(o=-0.67,f=-0.00056) USER MOD Single : A 35 CYS SG : rot 180:sc= -1.94 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A 39 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -63:sc= 0.482 USER MOD Single : A 48 ASN : amide:sc= -0.341 K(o=-0.34,f=-2.4!) USER MOD Single : A 49 GLN : amide:sc= -0.0986 X(o=-0.099,f=0) USER MOD Single : A 50 SER OG : rot 120:sc= -0.522 USER MOD Single : A 53 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.0602 K(o=-0.06,f=-1.6!) USER MOD Single : A 59 MET CE :methyl 146:sc= 0 (180deg=-0.562) USER MOD Single : A 62 SER OG : rot 76:sc= 0.341 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00539 K(o=-0.0054,f=-0.79) USER MOD Single : A 69 TYR OH : rot 115:sc= 0.191 USER MOD Single : A 71 GLN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.287 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -18:sc= 0.738 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00667 K(o=-0.0067,f=-4.6!) USER MOD Single : A 92 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.34) USER MOD Single : A 97 TYR OH : rot -34:sc= 0.338 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.79 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 11.157 -12.147 -0.326 1.00 0.00 N ATOM 2 CA ASP A 5 11.801 -10.948 0.198 1.00 0.00 C ATOM 3 C ASP A 5 10.856 -9.753 0.142 1.00 0.00 C ATOM 4 O ASP A 5 10.015 -9.656 -0.752 1.00 0.00 O ATOM 5 CB ASP A 5 13.074 -10.642 -0.596 1.00 0.00 C ATOM 6 CG ASP A 5 14.266 -10.376 0.304 1.00 0.00 C ATOM 7 OD1 ASP A 5 14.137 -9.545 1.228 1.00 0.00 O ATOM 8 OD2 ASP A 5 15.326 -10.997 0.083 1.00 0.00 O ATOM 0 HA ASP A 5 12.063 -11.132 1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.299 -11.481 -1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.902 -9.774 -1.233 1.00 0.00 H new ATOM 11 N LEU A 6 10.999 -8.846 1.103 1.00 0.00 N ATOM 12 CA LEU A 6 10.156 -7.656 1.162 1.00 0.00 C ATOM 13 C LEU A 6 10.538 -6.663 0.070 1.00 0.00 C ATOM 14 O LEU A 6 9.674 -6.021 -0.530 1.00 0.00 O ATOM 15 CB LEU A 6 10.274 -6.988 2.536 1.00 0.00 C ATOM 16 CG LEU A 6 9.046 -7.137 3.437 1.00 0.00 C ATOM 17 CD1 LEU A 6 9.410 -6.843 4.884 1.00 0.00 C ATOM 18 CD2 LEU A 6 7.926 -6.218 2.971 1.00 0.00 C ATOM 0 H LEU A 6 11.690 -8.912 1.851 1.00 0.00 H new ATOM 0 HA LEU A 6 9.123 -7.966 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.138 -7.406 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.472 -5.926 2.391 1.00 0.00 H new ATOM 0 HG LEU A 6 8.694 -8.167 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.525 -6.953 5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.179 -7.541 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.787 -5.823 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.061 -6.338 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.266 -5.183 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.647 -6.474 1.949 1.00 0.00 H new ATOM 28 N GLY A 7 11.838 -6.541 -0.184 1.00 0.00 N ATOM 29 CA GLY A 7 12.313 -5.624 -1.204 1.00 0.00 C ATOM 30 C GLY A 7 11.906 -6.046 -2.602 1.00 0.00 C ATOM 31 O GLY A 7 11.405 -5.233 -3.380 1.00 0.00 O ATOM 0 H GLY A 7 12.571 -7.061 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.922 -4.627 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.400 -5.558 -1.150 1.00 0.00 H new ATOM 35 N ALA A 8 12.121 -7.319 -2.923 1.00 0.00 N ATOM 36 CA ALA A 8 11.773 -7.847 -4.238 1.00 0.00 C ATOM 37 C ALA A 8 10.272 -7.758 -4.485 1.00 0.00 C ATOM 38 O ALA A 8 9.834 -7.278 -5.531 1.00 0.00 O ATOM 39 CB ALA A 8 12.250 -9.284 -4.375 1.00 0.00 C ATOM 0 H ALA A 8 12.535 -8.004 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 8 12.275 -7.238 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.983 -9.664 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.332 -9.321 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.777 -9.899 -3.609 1.00 0.00 H new ATOM 45 N LEU A 9 9.486 -8.220 -3.515 1.00 0.00 N ATOM 46 CA LEU A 9 8.032 -8.188 -3.631 1.00 0.00 C ATOM 47 C LEU A 9 7.544 -6.762 -3.845 1.00 0.00 C ATOM 48 O LEU A 9 6.687 -6.510 -4.690 1.00 0.00 O ATOM 49 CB LEU A 9 7.384 -8.782 -2.380 1.00 0.00 C ATOM 50 CG LEU A 9 5.876 -9.000 -2.478 1.00 0.00 C ATOM 51 CD1 LEU A 9 5.568 -10.404 -2.972 1.00 0.00 C ATOM 52 CD2 LEU A 9 5.219 -8.749 -1.133 1.00 0.00 C ATOM 0 H LEU A 9 9.831 -8.620 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 9 7.744 -8.788 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.861 -9.737 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.587 -8.123 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 9 5.470 -8.290 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.488 -10.539 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.010 -10.548 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.985 -11.134 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.144 -8.908 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.630 -9.436 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.410 -7.722 -0.821 1.00 0.00 H new ATOM 62 N TYR A 10 8.110 -5.831 -3.084 1.00 0.00 N ATOM 63 CA TYR A 10 7.746 -4.424 -3.200 1.00 0.00 C ATOM 64 C TYR A 10 8.021 -3.928 -4.614 1.00 0.00 C ATOM 65 O TYR A 10 7.197 -3.238 -5.215 1.00 0.00 O ATOM 66 CB TYR A 10 8.534 -3.596 -2.177 1.00 0.00 C ATOM 67 CG TYR A 10 8.502 -2.104 -2.425 1.00 0.00 C ATOM 68 CD1 TYR A 10 7.382 -1.349 -2.100 1.00 0.00 C ATOM 69 CD2 TYR A 10 9.594 -1.451 -2.979 1.00 0.00 C ATOM 70 CE1 TYR A 10 7.353 0.016 -2.321 1.00 0.00 C ATOM 71 CE2 TYR A 10 9.575 -0.088 -3.203 1.00 0.00 C ATOM 72 CZ TYR A 10 8.452 0.641 -2.872 1.00 0.00 C ATOM 73 OH TYR A 10 8.429 1.999 -3.092 1.00 0.00 O ATOM 0 H TYR A 10 8.822 -6.026 -2.381 1.00 0.00 H new ATOM 0 HA TYR A 10 6.681 -4.312 -2.995 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.136 -3.796 -1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.571 -3.930 -2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.520 -1.836 -1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.475 -2.019 -3.240 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.475 0.589 -2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.434 0.404 -3.635 1.00 0.00 H new ATOM 0 HH TYR A 10 8.065 2.452 -2.303 1.00 0.00 H new ATOM 81 N LEU A 11 9.185 -4.300 -5.142 1.00 0.00 N ATOM 82 CA LEU A 11 9.577 -3.909 -6.490 1.00 0.00 C ATOM 83 C LEU A 11 8.632 -4.511 -7.522 1.00 0.00 C ATOM 84 O LEU A 11 8.482 -3.982 -8.623 1.00 0.00 O ATOM 85 CB LEU A 11 11.015 -4.347 -6.771 1.00 0.00 C ATOM 86 CG LEU A 11 12.057 -3.229 -6.692 1.00 0.00 C ATOM 87 CD1 LEU A 11 13.349 -3.747 -6.080 1.00 0.00 C ATOM 88 CD2 LEU A 11 12.316 -2.645 -8.072 1.00 0.00 C ATOM 0 H LEU A 11 9.873 -4.873 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 11 9.519 -2.823 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.287 -5.128 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.056 -4.792 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 11 11.667 -2.438 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.078 -2.939 -6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.152 -4.119 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.744 -4.556 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.059 -1.851 -7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.686 -3.427 -8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.389 -2.237 -8.474 1.00 0.00 H new ATOM 98 N SER A 12 7.982 -5.608 -7.148 1.00 0.00 N ATOM 99 CA SER A 12 7.034 -6.268 -8.034 1.00 0.00 C ATOM 100 C SER A 12 5.734 -5.486 -8.051 1.00 0.00 C ATOM 101 O SER A 12 5.065 -5.387 -9.080 1.00 0.00 O ATOM 102 CB SER A 12 6.776 -7.707 -7.576 1.00 0.00 C ATOM 103 OG SER A 12 7.948 -8.496 -7.691 1.00 0.00 O ATOM 0 H SER A 12 8.095 -6.057 -6.239 1.00 0.00 H new ATOM 0 HA SER A 12 7.454 -6.301 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.434 -7.707 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.978 -8.145 -8.175 1.00 0.00 H new ATOM 0 HG SER A 12 8.610 -8.197 -7.033 1.00 0.00 H new ATOM 107 N MET A 13 5.392 -4.916 -6.898 1.00 0.00 N ATOM 108 CA MET A 13 4.185 -4.122 -6.769 1.00 0.00 C ATOM 109 C MET A 13 4.256 -2.911 -7.689 1.00 0.00 C ATOM 110 O MET A 13 3.265 -2.542 -8.321 1.00 0.00 O ATOM 111 CB MET A 13 3.996 -3.668 -5.321 1.00 0.00 C ATOM 112 CG MET A 13 4.172 -4.783 -4.303 1.00 0.00 C ATOM 113 SD MET A 13 3.928 -4.220 -2.609 1.00 0.00 S ATOM 114 CE MET A 13 2.254 -3.590 -2.698 1.00 0.00 C ATOM 0 H MET A 13 5.939 -4.993 -6.041 1.00 0.00 H new ATOM 0 HA MET A 13 3.332 -4.737 -7.055 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.709 -2.873 -5.103 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.999 -3.241 -5.211 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.465 -5.584 -4.521 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.172 -5.205 -4.401 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.894 -3.370 -1.693 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.239 -2.679 -3.296 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.608 -4.337 -3.159 1.00 0.00 H new ATOM 120 N LYS A 14 5.439 -2.296 -7.764 1.00 0.00 N ATOM 121 CA LYS A 14 5.633 -1.132 -8.614 1.00 0.00 C ATOM 122 C LYS A 14 5.254 -1.449 -10.055 1.00 0.00 C ATOM 123 O LYS A 14 4.754 -0.588 -10.781 1.00 0.00 O ATOM 124 CB LYS A 14 7.079 -0.660 -8.546 1.00 0.00 C ATOM 125 CG LYS A 14 7.378 0.134 -7.291 1.00 0.00 C ATOM 126 CD LYS A 14 8.246 -0.650 -6.341 1.00 0.00 C ATOM 127 CE LYS A 14 9.719 -0.520 -6.693 1.00 0.00 C ATOM 128 NZ LYS A 14 10.168 0.899 -6.688 1.00 0.00 N ATOM 0 H LYS A 14 6.269 -2.587 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 14 4.985 -0.334 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.741 -1.525 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.298 -0.046 -9.420 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.877 1.066 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.444 0.402 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.082 -0.298 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.957 -1.701 -6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.314 -1.092 -5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.897 -0.953 -7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.069 0.976 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.298 1.226 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.451 1.488 -6.219 1.00 0.00 H new ATOM 134 N ASP A 15 5.490 -2.694 -10.457 1.00 0.00 N ATOM 135 CA ASP A 15 5.169 -3.139 -11.806 1.00 0.00 C ATOM 136 C ASP A 15 3.659 -3.145 -12.020 1.00 0.00 C ATOM 137 O ASP A 15 2.890 -3.353 -11.082 1.00 0.00 O ATOM 138 CB ASP A 15 5.743 -4.534 -12.055 1.00 0.00 C ATOM 139 CG ASP A 15 5.892 -4.844 -13.532 1.00 0.00 C ATOM 140 OD1 ASP A 15 4.923 -5.354 -14.133 1.00 0.00 O ATOM 141 OD2 ASP A 15 6.978 -4.576 -14.086 1.00 0.00 O ATOM 0 H ASP A 15 5.904 -3.414 -9.864 1.00 0.00 H new ATOM 0 HA ASP A 15 5.618 -2.444 -12.515 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.716 -4.615 -11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.094 -5.278 -11.594 1.00 0.00 H new ATOM 144 N THR A 16 3.242 -2.904 -13.256 1.00 0.00 N ATOM 145 CA THR A 16 1.830 -2.866 -13.597 1.00 0.00 C ATOM 146 C THR A 16 1.313 -4.238 -14.016 1.00 0.00 C ATOM 147 O THR A 16 0.178 -4.604 -13.711 1.00 0.00 O ATOM 148 CB THR A 16 1.571 -1.868 -14.735 1.00 0.00 C ATOM 149 OG1 THR A 16 1.891 -2.467 -15.998 1.00 0.00 O ATOM 150 CG2 THR A 16 2.395 -0.603 -14.546 1.00 0.00 C ATOM 0 H THR A 16 3.868 -2.731 -14.042 1.00 0.00 H new ATOM 0 HA THR A 16 1.297 -2.549 -12.700 1.00 0.00 H new ATOM 0 HB THR A 16 0.514 -1.601 -14.717 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.721 -1.824 -16.718 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.194 0.088 -15.365 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.127 -0.132 -13.600 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.455 -0.857 -14.538 1.00 0.00 H new ATOM 158 N GLU A 17 2.148 -4.988 -14.727 1.00 0.00 N ATOM 159 CA GLU A 17 1.772 -6.314 -15.202 1.00 0.00 C ATOM 160 C GLU A 17 1.734 -7.322 -14.057 1.00 0.00 C ATOM 161 O GLU A 17 0.787 -8.100 -13.935 1.00 0.00 O ATOM 162 CB GLU A 17 2.752 -6.788 -16.275 1.00 0.00 C ATOM 163 CG GLU A 17 2.242 -6.594 -17.694 1.00 0.00 C ATOM 164 CD GLU A 17 1.003 -7.418 -17.987 1.00 0.00 C ATOM 165 OE1 GLU A 17 1.047 -8.649 -17.780 1.00 0.00 O ATOM 166 OE2 GLU A 17 -0.011 -6.833 -18.422 1.00 0.00 O ATOM 0 H GLU A 17 3.091 -4.699 -14.987 1.00 0.00 H new ATOM 0 HA GLU A 17 0.772 -6.244 -15.630 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.693 -6.250 -16.159 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.968 -7.845 -16.117 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.019 -5.539 -17.855 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.028 -6.864 -18.399 1.00 0.00 H new ATOM 169 N LYS A 18 2.772 -7.312 -13.231 1.00 0.00 N ATOM 170 CA LYS A 18 2.860 -8.235 -12.107 1.00 0.00 C ATOM 171 C LYS A 18 2.239 -7.647 -10.844 1.00 0.00 C ATOM 172 O LYS A 18 1.419 -8.292 -10.189 1.00 0.00 O ATOM 173 CB LYS A 18 4.320 -8.609 -11.848 1.00 0.00 C ATOM 174 CG LYS A 18 4.806 -9.772 -12.694 1.00 0.00 C ATOM 175 CD LYS A 18 5.797 -9.314 -13.751 1.00 0.00 C ATOM 176 CE LYS A 18 5.522 -9.964 -15.101 1.00 0.00 C ATOM 177 NZ LYS A 18 5.024 -11.359 -14.962 1.00 0.00 N ATOM 0 H LYS A 18 3.564 -6.675 -13.318 1.00 0.00 H new ATOM 0 HA LYS A 18 2.296 -9.131 -12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.949 -7.741 -12.042 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.441 -8.861 -10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.275 -10.519 -12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.955 -10.254 -13.176 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.746 -8.230 -13.852 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.810 -9.557 -13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.788 -9.370 -15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.436 -9.964 -15.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.261 -11.899 -15.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.471 -11.806 -14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.992 -11.348 -14.834 1.00 0.00 H new ATOM 183 N GLY A 19 2.640 -6.426 -10.497 1.00 0.00 N ATOM 184 CA GLY A 19 2.118 -5.788 -9.304 1.00 0.00 C ATOM 185 C GLY A 19 0.876 -4.962 -9.564 1.00 0.00 C ATOM 186 O GLY A 19 0.250 -5.076 -10.619 1.00 0.00 O ATOM 0 H GLY A 19 3.316 -5.870 -11.021 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.889 -6.553 -8.562 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.889 -5.148 -8.875 1.00 0.00 H new ATOM 190 N ILE A 20 0.527 -4.125 -8.594 1.00 0.00 N ATOM 191 CA ILE A 20 -0.642 -3.262 -8.704 1.00 0.00 C ATOM 192 C ILE A 20 -0.518 -2.354 -9.925 1.00 0.00 C ATOM 193 O ILE A 20 0.589 -2.086 -10.394 1.00 0.00 O ATOM 194 CB ILE A 20 -0.823 -2.397 -7.437 1.00 0.00 C ATOM 195 CG1 ILE A 20 0.319 -1.389 -7.315 1.00 0.00 C ATOM 196 CG2 ILE A 20 -0.893 -3.276 -6.193 1.00 0.00 C ATOM 197 CD1 ILE A 20 -0.106 -0.069 -6.718 1.00 0.00 C ATOM 0 H ILE A 20 1.040 -4.026 -7.718 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.516 -3.904 -8.813 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.762 -1.850 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.109 -1.820 -6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.744 -1.212 -8.303 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.021 -2.649 -5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.738 -3.959 -6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.029 -3.849 -6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.754 0.598 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.875 0.383 -7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.504 -0.234 -5.717 1.00 0.00 H new ATOM 207 N LYS A 21 -1.648 -1.889 -10.446 1.00 0.00 N ATOM 208 CA LYS A 21 -1.638 -1.026 -11.622 1.00 0.00 C ATOM 209 C LYS A 21 -2.367 0.283 -11.367 1.00 0.00 C ATOM 210 O LYS A 21 -3.321 0.619 -12.069 1.00 0.00 O ATOM 211 CB LYS A 21 -2.286 -1.733 -12.807 1.00 0.00 C ATOM 212 CG LYS A 21 -2.449 -3.228 -12.621 1.00 0.00 C ATOM 213 CD LYS A 21 -3.689 -3.744 -13.328 1.00 0.00 C ATOM 214 CE LYS A 21 -4.186 -5.037 -12.705 1.00 0.00 C ATOM 215 NZ LYS A 21 -4.681 -4.834 -11.316 1.00 0.00 N ATOM 0 H LYS A 21 -2.576 -2.093 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.595 -0.804 -11.847 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.266 -1.291 -12.989 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.685 -1.552 -13.698 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.569 -3.742 -13.007 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.513 -3.459 -11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.475 -2.991 -13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.466 -3.909 -14.382 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.987 -5.450 -13.318 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.379 -5.770 -12.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.345 -5.596 -11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.878 -4.848 -10.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.167 -3.917 -11.251 1.00 0.00 H new ATOM 221 N GLU A 22 -1.912 1.026 -10.374 1.00 0.00 N ATOM 222 CA GLU A 22 -2.519 2.291 -10.054 1.00 0.00 C ATOM 223 C GLU A 22 -2.134 3.336 -11.083 1.00 0.00 C ATOM 224 O GLU A 22 -1.527 3.019 -12.107 1.00 0.00 O ATOM 225 CB GLU A 22 -2.119 2.732 -8.653 1.00 0.00 C ATOM 226 CG GLU A 22 -2.706 1.843 -7.577 1.00 0.00 C ATOM 227 CD GLU A 22 -4.215 1.963 -7.484 1.00 0.00 C ATOM 228 OE1 GLU A 22 -4.712 3.097 -7.308 1.00 0.00 O ATOM 229 OE2 GLU A 22 -4.902 0.926 -7.589 1.00 0.00 O ATOM 0 H GLU A 22 -1.124 0.769 -9.779 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.603 2.176 -10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.032 2.728 -8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.447 3.759 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.439 0.806 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.264 2.102 -6.615 1.00 0.00 H new ATOM 232 N LEU A 23 -2.505 4.574 -10.818 1.00 0.00 N ATOM 233 CA LEU A 23 -2.218 5.664 -11.739 1.00 0.00 C ATOM 234 C LEU A 23 -1.664 6.884 -11.014 1.00 0.00 C ATOM 235 O LEU A 23 -1.778 6.997 -9.794 1.00 0.00 O ATOM 236 CB LEU A 23 -3.494 6.045 -12.492 1.00 0.00 C ATOM 237 CG LEU A 23 -3.684 5.332 -13.826 1.00 0.00 C ATOM 238 CD1 LEU A 23 -4.027 3.866 -13.605 1.00 0.00 C ATOM 239 CD2 LEU A 23 -4.760 6.020 -14.652 1.00 0.00 C ATOM 0 H LEU A 23 -3.005 4.853 -9.974 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.458 5.321 -12.441 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.353 5.831 -11.856 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.488 7.121 -12.668 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.746 5.382 -14.380 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.159 3.374 -14.569 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.218 3.382 -13.058 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.950 3.791 -13.030 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.881 5.497 -15.600 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.703 6.005 -14.106 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.468 7.053 -14.842 1.00 0.00 H new ATOM 249 N ASN A 24 -1.087 7.807 -11.782 1.00 0.00 N ATOM 250 CA ASN A 24 -0.537 9.034 -11.213 1.00 0.00 C ATOM 251 C ASN A 24 -1.669 9.835 -10.589 1.00 0.00 C ATOM 252 O ASN A 24 -2.425 10.515 -11.284 1.00 0.00 O ATOM 253 CB ASN A 24 0.172 9.863 -12.290 1.00 0.00 C ATOM 254 CG ASN A 24 -0.430 9.664 -13.667 1.00 0.00 C ATOM 255 OD1 ASN A 24 -1.572 10.046 -13.919 1.00 0.00 O ATOM 256 ND2 ASN A 24 0.339 9.064 -14.569 1.00 0.00 N ATOM 0 H ASN A 24 -0.989 7.728 -12.794 1.00 0.00 H new ATOM 0 HA ASN A 24 0.199 8.780 -10.451 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.120 10.919 -12.024 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.227 9.592 -12.316 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.012 8.904 -15.513 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.281 8.763 -14.317 1.00 0.00 H new ATOM 261 N LEU A 25 -1.804 9.706 -9.278 1.00 0.00 N ATOM 262 CA LEU A 25 -2.873 10.367 -8.546 1.00 0.00 C ATOM 263 C LEU A 25 -2.449 11.757 -8.075 1.00 0.00 C ATOM 264 O LEU A 25 -1.308 11.962 -7.661 1.00 0.00 O ATOM 265 CB LEU A 25 -3.253 9.497 -7.350 1.00 0.00 C ATOM 266 CG LEU A 25 -4.749 9.318 -7.116 1.00 0.00 C ATOM 267 CD1 LEU A 25 -5.142 7.877 -7.418 1.00 0.00 C ATOM 268 CD2 LEU A 25 -5.118 9.691 -5.688 1.00 0.00 C ATOM 0 H LEU A 25 -1.182 9.145 -8.696 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.730 10.495 -9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.803 8.513 -7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.812 9.931 -6.453 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.297 9.982 -7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.211 7.749 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.907 7.646 -8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.589 7.204 -6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.190 9.556 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.574 9.052 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.855 10.733 -5.505 1.00 0.00 H new ATOM 278 N GLU A 26 -3.379 12.708 -8.136 1.00 0.00 N ATOM 279 CA GLU A 26 -3.106 14.078 -7.714 1.00 0.00 C ATOM 280 C GLU A 26 -4.149 14.553 -6.708 1.00 0.00 C ATOM 281 O GLU A 26 -5.329 14.219 -6.819 1.00 0.00 O ATOM 282 CB GLU A 26 -3.085 15.013 -8.926 1.00 0.00 C ATOM 283 CG GLU A 26 -2.902 16.478 -8.563 1.00 0.00 C ATOM 284 CD GLU A 26 -3.147 17.405 -9.737 1.00 0.00 C ATOM 285 OE1 GLU A 26 -2.258 17.509 -10.607 1.00 0.00 O ATOM 286 OE2 GLU A 26 -4.229 18.029 -9.784 1.00 0.00 O ATOM 0 H GLU A 26 -4.329 12.554 -8.474 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.128 14.097 -7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.279 14.710 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.017 14.898 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.584 16.736 -7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.890 16.632 -8.188 1.00 0.00 H new ATOM 289 N LYS A 27 -3.708 15.337 -5.726 1.00 0.00 N ATOM 290 CA LYS A 27 -4.609 15.858 -4.702 1.00 0.00 C ATOM 291 C LYS A 27 -4.744 17.375 -4.813 1.00 0.00 C ATOM 292 O LYS A 27 -5.645 17.879 -5.484 1.00 0.00 O ATOM 293 CB LYS A 27 -4.109 15.472 -3.307 1.00 0.00 C ATOM 294 CG LYS A 27 -5.223 15.172 -2.319 1.00 0.00 C ATOM 295 CD LYS A 27 -5.549 16.385 -1.463 1.00 0.00 C ATOM 296 CE LYS A 27 -4.705 16.419 -0.199 1.00 0.00 C ATOM 297 NZ LYS A 27 -4.161 17.778 0.070 1.00 0.00 N ATOM 0 H LYS A 27 -2.735 15.624 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.593 15.416 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.465 14.597 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.495 16.283 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.115 14.856 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.928 14.341 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.379 17.294 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.606 16.369 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.308 16.095 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.882 15.711 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.592 17.758 0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.564 18.077 -0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.946 18.450 0.186 1.00 0.00 H new ATOM 303 N ASP A 28 -3.842 18.097 -4.154 1.00 0.00 N ATOM 304 CA ASP A 28 -3.861 19.555 -4.183 1.00 0.00 C ATOM 305 C ASP A 28 -2.652 20.095 -4.940 1.00 0.00 C ATOM 306 O ASP A 28 -2.777 20.573 -6.068 1.00 0.00 O ATOM 307 CB ASP A 28 -3.878 20.117 -2.758 1.00 0.00 C ATOM 308 CG ASP A 28 -4.424 21.531 -2.699 1.00 0.00 C ATOM 309 OD1 ASP A 28 -4.617 22.141 -3.773 1.00 0.00 O ATOM 310 OD2 ASP A 28 -4.658 22.030 -1.578 1.00 0.00 O ATOM 0 H ASP A 28 -3.090 17.696 -3.594 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.766 19.873 -4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.483 19.470 -2.123 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.866 20.104 -2.354 1.00 0.00 H new ATOM 313 N LYS A 29 -1.483 20.011 -4.313 1.00 0.00 N ATOM 314 CA LYS A 29 -0.248 20.484 -4.926 1.00 0.00 C ATOM 315 C LYS A 29 0.779 19.359 -4.995 1.00 0.00 C ATOM 316 O LYS A 29 1.929 19.575 -5.378 1.00 0.00 O ATOM 317 CB LYS A 29 0.320 21.666 -4.135 1.00 0.00 C ATOM 318 CG LYS A 29 1.308 22.510 -4.924 1.00 0.00 C ATOM 319 CD LYS A 29 0.717 23.860 -5.296 1.00 0.00 C ATOM 320 CE LYS A 29 1.764 24.961 -5.246 1.00 0.00 C ATOM 321 NZ LYS A 29 1.394 26.122 -6.101 1.00 0.00 N ATOM 0 H LYS A 29 -1.366 19.619 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.472 20.814 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.503 22.300 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.812 21.289 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.213 22.658 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.600 21.978 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.290 23.808 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.099 24.101 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.890 25.295 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.725 24.563 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.135 26.850 -6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.299 25.810 -7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.490 26.519 -5.775 1.00 0.00 H new ATOM 327 N LYS A 30 0.353 18.156 -4.620 1.00 0.00 N ATOM 328 CA LYS A 30 1.235 16.995 -4.636 1.00 0.00 C ATOM 329 C LYS A 30 0.771 15.962 -5.658 1.00 0.00 C ATOM 330 O LYS A 30 -0.428 15.734 -5.830 1.00 0.00 O ATOM 331 CB LYS A 30 1.297 16.355 -3.248 1.00 0.00 C ATOM 332 CG LYS A 30 1.620 17.339 -2.137 1.00 0.00 C ATOM 333 CD LYS A 30 2.257 16.642 -0.946 1.00 0.00 C ATOM 334 CE LYS A 30 3.133 17.592 -0.146 1.00 0.00 C ATOM 335 NZ LYS A 30 4.545 17.578 -0.619 1.00 0.00 N ATOM 0 H LYS A 30 -0.596 17.961 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 30 2.230 17.338 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.340 15.880 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.050 15.567 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.295 18.107 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.708 17.844 -1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.477 16.235 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.855 15.800 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.735 18.604 -0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.101 17.315 0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.109 18.239 -0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.934 16.618 -0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.580 17.867 -1.617 1.00 0.00 H new ATOM 341 N ILE A 31 1.735 15.336 -6.328 1.00 0.00 N ATOM 342 CA ILE A 31 1.444 14.318 -7.330 1.00 0.00 C ATOM 343 C ILE A 31 1.870 12.937 -6.835 1.00 0.00 C ATOM 344 O ILE A 31 2.988 12.492 -7.094 1.00 0.00 O ATOM 345 CB ILE A 31 2.162 14.621 -8.662 1.00 0.00 C ATOM 346 CG1 ILE A 31 1.949 16.084 -9.069 1.00 0.00 C ATOM 347 CG2 ILE A 31 1.678 13.680 -9.758 1.00 0.00 C ATOM 348 CD1 ILE A 31 0.500 16.441 -9.333 1.00 0.00 C ATOM 0 H ILE A 31 2.729 15.518 -6.193 1.00 0.00 H new ATOM 0 HA ILE A 31 0.367 14.329 -7.499 1.00 0.00 H new ATOM 0 HB ILE A 31 3.231 14.459 -8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.335 16.730 -8.281 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.534 16.291 -9.966 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.196 13.909 -10.689 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.887 12.649 -9.471 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.605 13.807 -9.899 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.430 17.491 -9.615 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.114 15.821 -10.142 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.088 16.268 -8.431 1.00 0.00 H new ATOM 358 N PHE A 32 0.972 12.267 -6.120 1.00 0.00 N ATOM 359 CA PHE A 32 1.255 10.938 -5.586 1.00 0.00 C ATOM 360 C PHE A 32 1.523 9.942 -6.708 1.00 0.00 C ATOM 361 O PHE A 32 0.637 9.645 -7.508 1.00 0.00 O ATOM 362 CB PHE A 32 0.086 10.438 -4.736 1.00 0.00 C ATOM 363 CG PHE A 32 -0.428 11.439 -3.741 1.00 0.00 C ATOM 364 CD1 PHE A 32 0.447 12.151 -2.934 1.00 0.00 C ATOM 365 CD2 PHE A 32 -1.787 11.660 -3.608 1.00 0.00 C ATOM 366 CE1 PHE A 32 -0.028 13.068 -2.017 1.00 0.00 C ATOM 367 CE2 PHE A 32 -2.268 12.575 -2.692 1.00 0.00 C ATOM 368 CZ PHE A 32 -1.388 13.280 -1.894 1.00 0.00 C ATOM 0 H PHE A 32 0.042 12.622 -5.897 1.00 0.00 H new ATOM 0 HA PHE A 32 2.146 11.018 -4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.731 10.148 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.398 9.540 -4.202 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.511 11.987 -3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.480 11.111 -4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.663 13.619 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.331 12.739 -2.600 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.762 13.995 -1.176 1.00 0.00 H new ATOM 376 N ASN A 33 2.743 9.417 -6.752 1.00 0.00 N ATOM 377 CA ASN A 33 3.107 8.440 -7.771 1.00 0.00 C ATOM 378 C ASN A 33 2.353 7.139 -7.539 1.00 0.00 C ATOM 379 O ASN A 33 2.746 6.320 -6.706 1.00 0.00 O ATOM 380 CB ASN A 33 4.616 8.183 -7.762 1.00 0.00 C ATOM 381 CG ASN A 33 5.409 9.389 -7.299 1.00 0.00 C ATOM 382 OD1 ASN A 33 6.186 9.307 -6.348 1.00 0.00 O ATOM 383 ND2 ASN A 33 5.216 10.518 -7.972 1.00 0.00 N ATOM 0 H ASN A 33 3.491 9.650 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 33 2.833 8.842 -8.747 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.833 7.337 -7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.939 7.903 -8.765 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.722 11.363 -7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.562 10.540 -8.754 1.00 0.00 H new ATOM 388 N HIS A 34 1.259 6.964 -8.275 1.00 0.00 N ATOM 389 CA HIS A 34 0.430 5.771 -8.151 1.00 0.00 C ATOM 390 C HIS A 34 -0.115 5.635 -6.733 1.00 0.00 C ATOM 391 O HIS A 34 0.362 4.813 -5.952 1.00 0.00 O ATOM 392 CB HIS A 34 1.226 4.519 -8.533 1.00 0.00 C ATOM 393 CG HIS A 34 1.821 4.578 -9.905 1.00 0.00 C ATOM 394 ND1 HIS A 34 3.056 4.047 -10.213 1.00 0.00 N ATOM 395 CD2 HIS A 34 1.343 5.103 -11.060 1.00 0.00 C ATOM 396 CE1 HIS A 34 3.314 4.242 -11.493 1.00 0.00 C ATOM 397 NE2 HIS A 34 2.290 4.880 -12.029 1.00 0.00 N ATOM 0 H HIS A 34 0.926 7.637 -8.966 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.411 5.873 -8.836 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.025 4.372 -7.806 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.572 3.650 -8.468 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.395 5.603 -11.193 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.209 3.933 -12.012 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.214 5.162 -13.006 1.00 0.00 H new ATOM 404 N CYS A 35 -1.122 6.442 -6.407 1.00 0.00 N ATOM 405 CA CYS A 35 -1.734 6.404 -5.084 1.00 0.00 C ATOM 406 C CYS A 35 -2.894 5.421 -5.062 1.00 0.00 C ATOM 407 O CYS A 35 -3.687 5.361 -6.003 1.00 0.00 O ATOM 408 CB CYS A 35 -2.225 7.790 -4.667 1.00 0.00 C ATOM 409 SG CYS A 35 -3.006 7.837 -3.039 1.00 0.00 S ATOM 0 H CYS A 35 -1.530 7.129 -7.041 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.974 6.076 -4.375 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.381 8.480 -4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.937 8.150 -5.410 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.386 9.052 -2.775 1.00 0.00 H new ATOM 413 N PHE A 36 -2.986 4.644 -3.989 1.00 0.00 N ATOM 414 CA PHE A 36 -4.048 3.660 -3.859 1.00 0.00 C ATOM 415 C PHE A 36 -4.578 3.603 -2.428 1.00 0.00 C ATOM 416 O PHE A 36 -4.293 4.481 -1.618 1.00 0.00 O ATOM 417 CB PHE A 36 -3.547 2.277 -4.295 1.00 0.00 C ATOM 418 CG PHE A 36 -2.122 1.976 -3.899 1.00 0.00 C ATOM 419 CD1 PHE A 36 -1.054 2.543 -4.583 1.00 0.00 C ATOM 420 CD2 PHE A 36 -1.854 1.113 -2.851 1.00 0.00 C ATOM 421 CE1 PHE A 36 0.248 2.255 -4.224 1.00 0.00 C ATOM 422 CE2 PHE A 36 -0.553 0.821 -2.490 1.00 0.00 C ATOM 423 CZ PHE A 36 0.499 1.392 -3.178 1.00 0.00 C ATOM 0 H PHE A 36 -2.340 4.678 -3.201 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.868 3.962 -4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.199 1.516 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.635 2.197 -5.379 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.244 3.217 -5.405 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.672 0.662 -2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.069 2.705 -4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.359 0.146 -1.670 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.517 1.163 -2.898 1.00 0.00 H new ATOM 431 N THR A 37 -5.351 2.562 -2.125 1.00 0.00 N ATOM 432 CA THR A 37 -5.916 2.390 -0.792 1.00 0.00 C ATOM 433 C THR A 37 -5.203 1.278 -0.032 1.00 0.00 C ATOM 434 O THR A 37 -4.203 0.735 -0.504 1.00 0.00 O ATOM 435 CB THR A 37 -7.420 2.067 -0.860 1.00 0.00 C ATOM 436 OG1 THR A 37 -7.649 0.978 -1.761 1.00 0.00 O ATOM 437 CG2 THR A 37 -8.216 3.282 -1.313 1.00 0.00 C ATOM 0 H THR A 37 -5.599 1.826 -2.786 1.00 0.00 H new ATOM 0 HA THR A 37 -5.777 3.333 -0.264 1.00 0.00 H new ATOM 0 HB THR A 37 -7.752 1.787 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.608 0.779 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.275 3.029 -1.353 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.065 4.099 -0.608 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.879 3.590 -2.303 1.00 0.00 H new ATOM 445 N GLY A 38 -5.720 0.944 1.147 1.00 0.00 N ATOM 446 CA GLY A 38 -5.118 -0.103 1.953 1.00 0.00 C ATOM 447 C GLY A 38 -5.596 -1.486 1.562 1.00 0.00 C ATOM 448 O GLY A 38 -4.788 -2.379 1.299 1.00 0.00 O ATOM 0 H GLY A 38 -6.545 1.380 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.034 -0.056 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.349 0.074 3.003 1.00 0.00 H new ATOM 452 N ASN A 39 -6.913 -1.665 1.525 1.00 0.00 N ATOM 453 CA ASN A 39 -7.507 -2.950 1.165 1.00 0.00 C ATOM 454 C ASN A 39 -7.094 -3.373 -0.243 1.00 0.00 C ATOM 455 O ASN A 39 -7.188 -4.548 -0.601 1.00 0.00 O ATOM 456 CB ASN A 39 -9.032 -2.868 1.260 1.00 0.00 C ATOM 457 CG ASN A 39 -9.717 -4.112 0.727 1.00 0.00 C ATOM 458 OD1 ASN A 39 -10.309 -4.094 -0.352 1.00 0.00 O ATOM 459 ND2 ASN A 39 -9.639 -5.201 1.484 1.00 0.00 N ATOM 0 H ASN A 39 -7.592 -0.935 1.740 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.142 -3.700 1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.320 -2.717 2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.381 -1.999 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.080 -6.068 1.177 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.138 -5.170 2.372 1.00 0.00 H new ATOM 464 N CYS A 40 -6.639 -2.408 -1.038 1.00 0.00 N ATOM 465 CA CYS A 40 -6.213 -2.681 -2.408 1.00 0.00 C ATOM 466 C CYS A 40 -5.060 -3.678 -2.434 1.00 0.00 C ATOM 467 O CYS A 40 -5.185 -4.768 -2.993 1.00 0.00 O ATOM 468 CB CYS A 40 -5.800 -1.384 -3.106 1.00 0.00 C ATOM 469 SG CYS A 40 -5.498 -1.568 -4.879 1.00 0.00 S ATOM 0 H CYS A 40 -6.556 -1.431 -0.758 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.057 -3.118 -2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.581 -0.638 -2.956 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.897 -1.000 -2.632 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.157 -0.419 -5.383 1.00 0.00 H new ATOM 473 N VAL A 41 -3.937 -3.297 -1.829 1.00 0.00 N ATOM 474 CA VAL A 41 -2.761 -4.159 -1.785 1.00 0.00 C ATOM 475 C VAL A 41 -3.096 -5.526 -1.199 1.00 0.00 C ATOM 476 O VAL A 41 -2.654 -6.550 -1.713 1.00 0.00 O ATOM 477 CB VAL A 41 -1.631 -3.527 -0.958 1.00 0.00 C ATOM 478 CG1 VAL A 41 -0.418 -4.440 -0.927 1.00 0.00 C ATOM 479 CG2 VAL A 41 -1.264 -2.168 -1.520 1.00 0.00 C ATOM 0 H VAL A 41 -3.818 -2.397 -1.363 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.426 -4.281 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.983 -3.393 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.372 -3.976 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.693 -5.395 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.061 -4.606 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.462 -1.732 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.930 -2.279 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.136 -1.514 -1.489 1.00 0.00 H new ATOM 489 N ILE A 42 -3.874 -5.534 -0.116 1.00 0.00 N ATOM 490 CA ILE A 42 -4.256 -6.783 0.537 1.00 0.00 C ATOM 491 C ILE A 42 -4.891 -7.747 -0.459 1.00 0.00 C ATOM 492 O ILE A 42 -4.647 -8.952 -0.409 1.00 0.00 O ATOM 493 CB ILE A 42 -5.243 -6.547 1.699 1.00 0.00 C ATOM 494 CG1 ILE A 42 -4.811 -5.345 2.544 1.00 0.00 C ATOM 495 CG2 ILE A 42 -5.349 -7.795 2.563 1.00 0.00 C ATOM 496 CD1 ILE A 42 -3.542 -5.572 3.340 1.00 0.00 C ATOM 0 H ILE A 42 -4.249 -4.694 0.324 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.340 -7.217 0.937 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.224 -6.330 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.667 -4.486 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.617 -5.089 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.049 -7.614 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.706 -8.628 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.369 -8.038 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.305 -4.674 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.686 -6.409 4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.721 -5.797 2.659 1.00 0.00 H new ATOM 506 N ASP A 43 -5.700 -7.209 -1.364 1.00 0.00 N ATOM 507 CA ASP A 43 -6.363 -8.025 -2.375 1.00 0.00 C ATOM 508 C ASP A 43 -5.353 -8.548 -3.391 1.00 0.00 C ATOM 509 O ASP A 43 -5.474 -9.671 -3.877 1.00 0.00 O ATOM 510 CB ASP A 43 -7.449 -7.215 -3.085 1.00 0.00 C ATOM 511 CG ASP A 43 -8.360 -8.086 -3.930 1.00 0.00 C ATOM 512 OD1 ASP A 43 -9.120 -8.888 -3.349 1.00 0.00 O ATOM 513 OD2 ASP A 43 -8.313 -7.963 -5.171 1.00 0.00 O ATOM 0 H ASP A 43 -5.913 -6.213 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.827 -8.876 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.045 -6.683 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.981 -6.461 -3.718 1.00 0.00 H new ATOM 516 N TRP A 44 -4.351 -7.727 -3.699 1.00 0.00 N ATOM 517 CA TRP A 44 -3.312 -8.110 -4.651 1.00 0.00 C ATOM 518 C TRP A 44 -2.466 -9.247 -4.085 1.00 0.00 C ATOM 519 O TRP A 44 -2.278 -10.278 -4.733 1.00 0.00 O ATOM 520 CB TRP A 44 -2.424 -6.905 -4.982 1.00 0.00 C ATOM 521 CG TRP A 44 -1.301 -7.230 -5.919 1.00 0.00 C ATOM 522 CD1 TRP A 44 -1.370 -7.338 -7.278 1.00 0.00 C ATOM 523 CD2 TRP A 44 0.062 -7.489 -5.565 1.00 0.00 C ATOM 524 NE1 TRP A 44 -0.136 -7.651 -7.789 1.00 0.00 N ATOM 525 CE2 TRP A 44 0.761 -7.748 -6.758 1.00 0.00 C ATOM 526 CE3 TRP A 44 0.761 -7.525 -4.356 1.00 0.00 C ATOM 527 CZ2 TRP A 44 2.124 -8.040 -6.774 1.00 0.00 C ATOM 528 CZ3 TRP A 44 2.111 -7.814 -4.373 1.00 0.00 C ATOM 529 CH2 TRP A 44 2.781 -8.069 -5.575 1.00 0.00 C ATOM 0 H TRP A 44 -4.237 -6.794 -3.303 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.791 -8.454 -5.567 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.039 -6.121 -5.423 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.010 -6.504 -4.057 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.265 -7.198 -7.865 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.079 -7.789 -8.776 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.253 -7.330 -3.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.643 -8.236 -7.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.659 -7.844 -3.443 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.837 -8.293 -5.555 1.00 0.00 H new ATOM 538 N LEU A 45 -1.969 -9.050 -2.866 1.00 0.00 N ATOM 539 CA LEU A 45 -1.150 -10.052 -2.194 1.00 0.00 C ATOM 540 C LEU A 45 -1.913 -11.368 -2.076 1.00 0.00 C ATOM 541 O LEU A 45 -1.394 -12.436 -2.400 1.00 0.00 O ATOM 542 CB LEU A 45 -0.760 -9.561 -0.798 1.00 0.00 C ATOM 543 CG LEU A 45 0.704 -9.154 -0.635 1.00 0.00 C ATOM 544 CD1 LEU A 45 0.901 -7.705 -1.047 1.00 0.00 C ATOM 545 CD2 LEU A 45 1.157 -9.370 0.799 1.00 0.00 C ATOM 0 H LEU A 45 -2.121 -8.200 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.248 -10.215 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.388 -8.708 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.984 -10.348 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 45 1.314 -9.781 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.949 -7.431 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.613 -7.581 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.283 -7.062 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.202 -9.076 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.544 -8.767 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.050 -10.423 1.060 1.00 0.00 H new ATOM 555 N VAL A 46 -3.151 -11.269 -1.601 1.00 0.00 N ATOM 556 CA VAL A 46 -4.011 -12.433 -1.427 1.00 0.00 C ATOM 557 C VAL A 46 -4.291 -13.114 -2.765 1.00 0.00 C ATOM 558 O VAL A 46 -4.421 -14.337 -2.833 1.00 0.00 O ATOM 559 CB VAL A 46 -5.336 -12.027 -0.738 1.00 0.00 C ATOM 560 CG1 VAL A 46 -6.435 -13.050 -0.977 1.00 0.00 C ATOM 561 CG2 VAL A 46 -5.115 -11.821 0.752 1.00 0.00 C ATOM 0 H VAL A 46 -3.583 -10.386 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.490 -13.146 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.664 -11.087 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.348 -12.727 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.621 -13.141 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.125 -14.016 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.056 -11.536 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.752 -12.747 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.379 -11.032 0.905 1.00 0.00 H new ATOM 571 N SER A 47 -4.373 -12.319 -3.828 1.00 0.00 N ATOM 572 CA SER A 47 -4.627 -12.854 -5.161 1.00 0.00 C ATOM 573 C SER A 47 -3.379 -13.535 -5.714 1.00 0.00 C ATOM 574 O SER A 47 -3.456 -14.316 -6.663 1.00 0.00 O ATOM 575 CB SER A 47 -5.079 -11.739 -6.109 1.00 0.00 C ATOM 576 OG SER A 47 -4.004 -11.291 -6.918 1.00 0.00 O ATOM 0 H SER A 47 -4.268 -11.305 -3.792 1.00 0.00 H new ATOM 0 HA SER A 47 -5.423 -13.594 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.889 -12.102 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.476 -10.904 -5.531 1.00 0.00 H new ATOM 0 HG SER A 47 -3.305 -10.906 -6.349 1.00 0.00 H new ATOM 580 N ASN A 48 -2.232 -13.233 -5.112 1.00 0.00 N ATOM 581 CA ASN A 48 -0.966 -13.816 -5.542 1.00 0.00 C ATOM 582 C ASN A 48 -0.636 -15.061 -4.725 1.00 0.00 C ATOM 583 O ASN A 48 -1.495 -15.604 -4.028 1.00 0.00 O ATOM 584 CB ASN A 48 0.162 -12.788 -5.410 1.00 0.00 C ATOM 585 CG ASN A 48 0.902 -12.573 -6.716 1.00 0.00 C ATOM 586 OD1 ASN A 48 0.400 -12.903 -7.791 1.00 0.00 O ATOM 587 ND2 ASN A 48 2.105 -12.016 -6.630 1.00 0.00 N ATOM 0 H ASN A 48 -2.154 -12.588 -4.325 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.063 -14.106 -6.588 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.253 -11.839 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.866 -13.120 -4.647 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.650 -11.847 -7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.483 -11.758 -5.719 1.00 0.00 H new ATOM 592 N GLN A 49 0.613 -15.511 -4.816 1.00 0.00 N ATOM 593 CA GLN A 49 1.054 -16.695 -4.087 1.00 0.00 C ATOM 594 C GLN A 49 1.704 -16.311 -2.762 1.00 0.00 C ATOM 595 O GLN A 49 2.170 -17.172 -2.016 1.00 0.00 O ATOM 596 CB GLN A 49 2.039 -17.504 -4.934 1.00 0.00 C ATOM 597 CG GLN A 49 1.365 -18.418 -5.943 1.00 0.00 C ATOM 598 CD GLN A 49 2.332 -18.957 -6.980 1.00 0.00 C ATOM 599 OE1 GLN A 49 2.484 -20.168 -7.133 1.00 0.00 O ATOM 600 NE2 GLN A 49 2.990 -18.055 -7.700 1.00 0.00 N ATOM 0 H GLN A 49 1.336 -15.074 -5.387 1.00 0.00 H new ATOM 0 HA GLN A 49 0.177 -17.306 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.700 -16.817 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.665 -18.104 -4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.899 -19.252 -5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.567 -17.872 -6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.832 -17.060 -7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.653 -18.357 -8.414 1.00 0.00 H new ATOM 605 N SER A 50 1.731 -15.013 -2.473 1.00 0.00 N ATOM 606 CA SER A 50 2.322 -14.518 -1.235 1.00 0.00 C ATOM 607 C SER A 50 1.470 -14.913 -0.033 1.00 0.00 C ATOM 608 O SER A 50 1.968 -15.498 0.930 1.00 0.00 O ATOM 609 CB SER A 50 2.481 -12.997 -1.291 1.00 0.00 C ATOM 610 OG SER A 50 1.881 -12.376 -0.167 1.00 0.00 O ATOM 0 H SER A 50 1.351 -14.286 -3.079 1.00 0.00 H new ATOM 0 HA SER A 50 3.307 -14.971 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.540 -12.741 -1.329 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.028 -12.615 -2.206 1.00 0.00 H new ATOM 0 HG SER A 50 2.561 -11.878 0.333 1.00 0.00 H new ATOM 614 N VAL A 51 0.180 -14.593 -0.097 1.00 0.00 N ATOM 615 CA VAL A 51 -0.743 -14.919 0.982 1.00 0.00 C ATOM 616 C VAL A 51 -2.031 -15.520 0.438 1.00 0.00 C ATOM 617 O VAL A 51 -2.272 -15.513 -0.770 1.00 0.00 O ATOM 618 CB VAL A 51 -1.102 -13.680 1.826 1.00 0.00 C ATOM 619 CG1 VAL A 51 0.104 -13.201 2.620 1.00 0.00 C ATOM 620 CG2 VAL A 51 -1.640 -12.566 0.942 1.00 0.00 C ATOM 0 H VAL A 51 -0.248 -14.108 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.232 -15.645 1.614 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.883 -13.963 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.172 -12.326 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.440 -13.995 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.910 -12.938 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.887 -11.701 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.884 -12.286 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.535 -12.912 0.425 1.00 0.00 H new ATOM 630 N ARG A 52 -2.860 -16.029 1.341 1.00 0.00 N ATOM 631 CA ARG A 52 -4.132 -16.624 0.963 1.00 0.00 C ATOM 632 C ARG A 52 -5.279 -15.887 1.641 1.00 0.00 C ATOM 633 O ARG A 52 -6.193 -15.394 0.978 1.00 0.00 O ATOM 634 CB ARG A 52 -4.162 -18.106 1.341 1.00 0.00 C ATOM 635 CG ARG A 52 -3.269 -18.976 0.470 1.00 0.00 C ATOM 636 CD ARG A 52 -1.948 -19.282 1.156 1.00 0.00 C ATOM 637 NE ARG A 52 -0.859 -19.460 0.198 1.00 0.00 N ATOM 638 CZ ARG A 52 -0.332 -20.641 -0.111 1.00 0.00 C ATOM 639 NH1 ARG A 52 -0.791 -21.747 0.460 1.00 0.00 N ATOM 640 NH2 ARG A 52 0.656 -20.719 -0.993 1.00 0.00 N ATOM 0 H ARG A 52 -2.672 -16.041 2.343 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.247 -16.538 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.855 -18.213 2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.187 -18.469 1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.783 -19.908 0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.080 -18.471 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.699 -18.471 1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.053 -20.185 1.757 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.481 -18.631 -0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.551 -21.693 1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.384 -22.651 0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.013 -19.872 -1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.059 -21.626 -1.229 1.00 0.00 H new ATOM 648 N ASN A 53 -5.220 -15.810 2.966 1.00 0.00 N ATOM 649 CA ASN A 53 -6.248 -15.127 3.739 1.00 0.00 C ATOM 650 C ASN A 53 -6.003 -13.621 3.761 1.00 0.00 C ATOM 651 O ASN A 53 -4.883 -13.161 3.534 1.00 0.00 O ATOM 652 CB ASN A 53 -6.294 -15.669 5.169 1.00 0.00 C ATOM 653 CG ASN A 53 -6.281 -17.185 5.214 1.00 0.00 C ATOM 654 OD1 ASN A 53 -5.481 -17.790 5.927 1.00 0.00 O ATOM 655 ND2 ASN A 53 -7.174 -17.807 4.452 1.00 0.00 N ATOM 0 H ASN A 53 -4.469 -16.213 3.527 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.208 -15.315 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.441 -15.284 5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.192 -15.301 5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.215 -18.826 4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.819 -17.265 3.876 1.00 0.00 H new ATOM 660 N ARG A 54 -7.054 -12.860 4.041 1.00 0.00 N ATOM 661 CA ARG A 54 -6.952 -11.408 4.099 1.00 0.00 C ATOM 662 C ARG A 54 -6.062 -10.978 5.260 1.00 0.00 C ATOM 663 O ARG A 54 -5.339 -9.985 5.168 1.00 0.00 O ATOM 664 CB ARG A 54 -8.341 -10.783 4.240 1.00 0.00 C ATOM 665 CG ARG A 54 -8.334 -9.264 4.199 1.00 0.00 C ATOM 666 CD ARG A 54 -9.689 -8.693 4.580 1.00 0.00 C ATOM 667 NE ARG A 54 -9.670 -8.072 5.902 1.00 0.00 N ATOM 668 CZ ARG A 54 -10.536 -8.365 6.868 1.00 0.00 C ATOM 669 NH1 ARG A 54 -11.483 -9.271 6.663 1.00 0.00 N ATOM 670 NH2 ARG A 54 -10.455 -7.753 8.042 1.00 0.00 N ATOM 0 H ARG A 54 -7.987 -13.225 4.232 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.502 -11.058 3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.981 -11.156 3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.783 -11.110 5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.573 -8.884 4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.064 -8.927 3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.993 -7.955 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.435 -9.488 4.564 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.952 -7.374 6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.549 -9.745 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.146 -9.493 7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.728 -7.057 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.120 -7.979 8.782 1.00 0.00 H new ATOM 678 N GLN A 55 -6.117 -11.734 6.353 1.00 0.00 N ATOM 679 CA GLN A 55 -5.316 -11.436 7.529 1.00 0.00 C ATOM 680 C GLN A 55 -3.830 -11.611 7.233 1.00 0.00 C ATOM 681 O GLN A 55 -2.998 -10.845 7.719 1.00 0.00 O ATOM 682 CB GLN A 55 -5.725 -12.336 8.691 1.00 0.00 C ATOM 683 CG GLN A 55 -5.840 -11.604 10.018 1.00 0.00 C ATOM 684 CD GLN A 55 -5.783 -12.540 11.209 1.00 0.00 C ATOM 685 OE1 GLN A 55 -5.179 -13.610 11.144 1.00 0.00 O ATOM 686 NE2 GLN A 55 -6.415 -12.140 12.308 1.00 0.00 N ATOM 0 H GLN A 55 -6.710 -12.559 6.445 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.493 -10.396 7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.683 -12.802 8.459 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.995 -13.140 8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.035 -10.873 10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.778 -11.049 10.042 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.904 -11.245 12.318 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.411 -12.728 13.141 1.00 0.00 H new ATOM 691 N GLU A 56 -3.505 -12.621 6.431 1.00 0.00 N ATOM 692 CA GLU A 56 -2.118 -12.891 6.069 1.00 0.00 C ATOM 693 C GLU A 56 -1.546 -11.747 5.238 1.00 0.00 C ATOM 694 O GLU A 56 -0.432 -11.281 5.486 1.00 0.00 O ATOM 695 CB GLU A 56 -2.016 -14.204 5.294 1.00 0.00 C ATOM 696 CG GLU A 56 -1.481 -15.361 6.123 1.00 0.00 C ATOM 697 CD GLU A 56 -1.519 -16.680 5.378 1.00 0.00 C ATOM 698 OE1 GLU A 56 -2.567 -16.992 4.776 1.00 0.00 O ATOM 699 OE2 GLU A 56 -0.500 -17.401 5.396 1.00 0.00 O ATOM 0 H GLU A 56 -4.182 -13.264 6.021 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.537 -12.978 6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.002 -14.468 4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.368 -14.057 4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.455 -15.146 6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.066 -15.448 7.038 1.00 0.00 H new ATOM 702 N GLY A 57 -2.316 -11.293 4.255 1.00 0.00 N ATOM 703 CA GLY A 57 -1.870 -10.203 3.409 1.00 0.00 C ATOM 704 C GLY A 57 -1.883 -8.873 4.133 1.00 0.00 C ATOM 705 O GLY A 57 -1.256 -7.911 3.690 1.00 0.00 O ATOM 0 H GLY A 57 -3.240 -11.660 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.861 -10.411 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.511 -10.142 2.530 1.00 0.00 H new ATOM 709 N LEU A 58 -2.599 -8.820 5.252 1.00 0.00 N ATOM 710 CA LEU A 58 -2.696 -7.600 6.042 1.00 0.00 C ATOM 711 C LEU A 58 -1.425 -7.371 6.858 1.00 0.00 C ATOM 712 O LEU A 58 -0.926 -6.249 6.939 1.00 0.00 O ATOM 713 CB LEU A 58 -3.911 -7.663 6.965 1.00 0.00 C ATOM 714 CG LEU A 58 -4.887 -6.492 6.831 1.00 0.00 C ATOM 715 CD1 LEU A 58 -6.321 -6.993 6.831 1.00 0.00 C ATOM 716 CD2 LEU A 58 -4.671 -5.488 7.954 1.00 0.00 C ATOM 0 H LEU A 58 -3.121 -9.610 5.632 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.814 -6.761 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.450 -8.590 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.563 -7.710 7.997 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.698 -5.991 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.002 -6.147 6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.468 -7.674 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.523 -7.517 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.373 -4.662 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.834 -5.976 8.915 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.651 -5.106 7.909 1.00 0.00 H new ATOM 726 N MET A 59 -0.903 -8.439 7.457 1.00 0.00 N ATOM 727 CA MET A 59 0.311 -8.338 8.260 1.00 0.00 C ATOM 728 C MET A 59 1.527 -8.098 7.369 1.00 0.00 C ATOM 729 O MET A 59 2.408 -7.305 7.705 1.00 0.00 O ATOM 730 CB MET A 59 0.514 -9.592 9.111 1.00 0.00 C ATOM 731 CG MET A 59 0.182 -10.874 8.379 1.00 0.00 C ATOM 732 SD MET A 59 1.006 -12.315 9.085 1.00 0.00 S ATOM 733 CE MET A 59 2.553 -12.297 8.185 1.00 0.00 C ATOM 0 H MET A 59 -1.299 -9.377 7.402 1.00 0.00 H new ATOM 0 HA MET A 59 0.198 -7.487 8.931 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.551 -9.631 9.446 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.107 -9.521 10.004 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.896 -11.031 8.401 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.468 -10.774 7.332 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.354 -12.656 8.831 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.474 -12.945 7.312 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.775 -11.280 7.863 1.00 0.00 H new ATOM 739 N ILE A 60 1.565 -8.775 6.222 1.00 0.00 N ATOM 740 CA ILE A 60 2.670 -8.612 5.285 1.00 0.00 C ATOM 741 C ILE A 60 2.753 -7.164 4.811 1.00 0.00 C ATOM 742 O ILE A 60 3.823 -6.553 4.824 1.00 0.00 O ATOM 743 CB ILE A 60 2.522 -9.539 4.059 1.00 0.00 C ATOM 744 CG1 ILE A 60 2.474 -11.006 4.502 1.00 0.00 C ATOM 745 CG2 ILE A 60 3.665 -9.308 3.077 1.00 0.00 C ATOM 746 CD1 ILE A 60 3.782 -11.525 5.063 1.00 0.00 C ATOM 0 H ILE A 60 0.848 -9.436 5.923 1.00 0.00 H new ATOM 0 HA ILE A 60 3.584 -8.883 5.813 1.00 0.00 H new ATOM 0 HB ILE A 60 1.585 -9.303 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.696 -11.121 5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.186 -11.622 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.546 -9.969 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.652 -8.271 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.615 -9.519 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.665 -12.569 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.561 -11.444 4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.063 -10.935 5.936 1.00 0.00 H new ATOM 756 N ALA A 61 1.609 -6.617 4.405 1.00 0.00 N ATOM 757 CA ALA A 61 1.545 -5.239 3.942 1.00 0.00 C ATOM 758 C ALA A 61 2.003 -4.287 5.040 1.00 0.00 C ATOM 759 O ALA A 61 2.592 -3.238 4.767 1.00 0.00 O ATOM 760 CB ALA A 61 0.134 -4.897 3.489 1.00 0.00 C ATOM 0 H ALA A 61 0.716 -7.110 4.389 1.00 0.00 H new ATOM 0 HA ALA A 61 2.216 -5.127 3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.103 -3.863 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.157 -5.559 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.557 -5.023 4.323 1.00 0.00 H new ATOM 766 N SER A 62 1.744 -4.671 6.289 1.00 0.00 N ATOM 767 CA SER A 62 2.142 -3.864 7.434 1.00 0.00 C ATOM 768 C SER A 62 3.657 -3.724 7.468 1.00 0.00 C ATOM 769 O SER A 62 4.187 -2.647 7.745 1.00 0.00 O ATOM 770 CB SER A 62 1.643 -4.495 8.735 1.00 0.00 C ATOM 771 OG SER A 62 0.257 -4.262 8.918 1.00 0.00 O ATOM 0 H SER A 62 1.260 -5.536 6.530 1.00 0.00 H new ATOM 0 HA SER A 62 1.694 -2.875 7.336 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.835 -5.568 8.719 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.198 -4.084 9.578 1.00 0.00 H new ATOM 0 HG SER A 62 -0.255 -4.850 8.324 1.00 0.00 H new ATOM 775 N SER A 63 4.349 -4.819 7.166 1.00 0.00 N ATOM 776 CA SER A 63 5.806 -4.820 7.141 1.00 0.00 C ATOM 777 C SER A 63 6.309 -3.911 6.028 1.00 0.00 C ATOM 778 O SER A 63 7.355 -3.273 6.155 1.00 0.00 O ATOM 779 CB SER A 63 6.338 -6.239 6.939 1.00 0.00 C ATOM 780 OG SER A 63 7.174 -6.628 8.014 1.00 0.00 O ATOM 0 H SER A 63 3.923 -5.717 6.935 1.00 0.00 H new ATOM 0 HA SER A 63 6.170 -4.446 8.098 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.503 -6.935 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.895 -6.292 6.004 1.00 0.00 H new ATOM 0 HG SER A 63 7.500 -7.540 7.862 1.00 0.00 H new ATOM 784 N LEU A 64 5.547 -3.857 4.937 1.00 0.00 N ATOM 785 CA LEU A 64 5.897 -3.024 3.791 1.00 0.00 C ATOM 786 C LEU A 64 6.066 -1.565 4.209 1.00 0.00 C ATOM 787 O LEU A 64 7.131 -0.975 4.030 1.00 0.00 O ATOM 788 CB LEU A 64 4.815 -3.127 2.713 1.00 0.00 C ATOM 789 CG LEU A 64 5.217 -3.894 1.456 1.00 0.00 C ATOM 790 CD1 LEU A 64 4.029 -4.666 0.903 1.00 0.00 C ATOM 791 CD2 LEU A 64 5.769 -2.944 0.408 1.00 0.00 C ATOM 0 H LEU A 64 4.680 -4.383 4.824 1.00 0.00 H new ATOM 0 HA LEU A 64 6.844 -3.384 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.938 -3.607 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.516 -2.119 2.424 1.00 0.00 H new ATOM 0 HG LEU A 64 5.999 -4.606 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.332 -5.207 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.674 -5.374 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.228 -3.971 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.051 -3.507 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.008 -2.209 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.645 -2.433 0.806 1.00 0.00 H new ATOM 801 N LEU A 65 5.003 -0.989 4.764 1.00 0.00 N ATOM 802 CA LEU A 65 5.026 0.402 5.203 1.00 0.00 C ATOM 803 C LEU A 65 5.952 0.588 6.402 1.00 0.00 C ATOM 804 O LEU A 65 6.566 1.642 6.562 1.00 0.00 O ATOM 805 CB LEU A 65 3.611 0.872 5.558 1.00 0.00 C ATOM 806 CG LEU A 65 3.513 2.313 6.066 1.00 0.00 C ATOM 807 CD1 LEU A 65 3.906 3.295 4.973 1.00 0.00 C ATOM 808 CD2 LEU A 65 2.105 2.606 6.563 1.00 0.00 C ATOM 0 H LEU A 65 4.115 -1.465 4.920 1.00 0.00 H new ATOM 0 HA LEU A 65 5.408 1.006 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.979 0.771 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.204 0.206 6.319 1.00 0.00 H new ATOM 0 HG LEU A 65 4.207 2.431 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.830 4.313 5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.932 3.100 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.238 3.176 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.052 3.634 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.395 2.469 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.858 1.925 7.378 1.00 0.00 H new ATOM 818 N ASN A 66 6.047 -0.441 7.239 1.00 0.00 N ATOM 819 CA ASN A 66 6.899 -0.385 8.422 1.00 0.00 C ATOM 820 C ASN A 66 8.338 -0.066 8.033 1.00 0.00 C ATOM 821 O ASN A 66 8.980 0.793 8.640 1.00 0.00 O ATOM 822 CB ASN A 66 6.845 -1.710 9.184 1.00 0.00 C ATOM 823 CG ASN A 66 7.215 -1.548 10.646 1.00 0.00 C ATOM 824 OD1 ASN A 66 8.242 -0.955 10.975 1.00 0.00 O ATOM 825 ND2 ASN A 66 6.378 -2.075 11.532 1.00 0.00 N ATOM 0 H ASN A 66 5.546 -1.321 7.120 1.00 0.00 H new ATOM 0 HA ASN A 66 6.528 0.409 9.070 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.841 -2.129 9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.524 -2.423 8.717 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.575 -1.996 12.530 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.538 -2.558 11.215 1.00 0.00 H new ATOM 830 N GLU A 67 8.836 -0.758 7.015 1.00 0.00 N ATOM 831 CA GLU A 67 10.196 -0.544 6.538 1.00 0.00 C ATOM 832 C GLU A 67 10.319 0.817 5.862 1.00 0.00 C ATOM 833 O GLU A 67 11.416 1.366 5.747 1.00 0.00 O ATOM 834 CB GLU A 67 10.599 -1.650 5.562 1.00 0.00 C ATOM 835 CG GLU A 67 11.433 -2.750 6.201 1.00 0.00 C ATOM 836 CD GLU A 67 12.534 -3.255 5.288 1.00 0.00 C ATOM 837 OE1 GLU A 67 12.852 -2.561 4.300 1.00 0.00 O ATOM 838 OE2 GLU A 67 13.080 -4.344 5.564 1.00 0.00 O ATOM 0 H GLU A 67 8.318 -1.472 6.504 1.00 0.00 H new ATOM 0 HA GLU A 67 10.867 -0.570 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.699 -2.090 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.162 -1.210 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.875 -2.375 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.783 -3.581 6.474 1.00 0.00 H new ATOM 841 N GLY A 68 9.186 1.354 5.419 1.00 0.00 N ATOM 842 CA GLY A 68 9.186 2.647 4.759 1.00 0.00 C ATOM 843 C GLY A 68 9.020 2.528 3.257 1.00 0.00 C ATOM 844 O GLY A 68 9.371 3.443 2.511 1.00 0.00 O ATOM 0 H GLY A 68 8.268 0.917 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.380 3.259 5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.120 3.164 4.979 1.00 0.00 H new ATOM 848 N TYR A 69 8.486 1.394 2.815 1.00 0.00 N ATOM 849 CA TYR A 69 8.274 1.147 1.393 1.00 0.00 C ATOM 850 C TYR A 69 7.129 1.993 0.848 1.00 0.00 C ATOM 851 O TYR A 69 7.216 2.536 -0.251 1.00 0.00 O ATOM 852 CB TYR A 69 7.978 -0.334 1.155 1.00 0.00 C ATOM 853 CG TYR A 69 9.197 -1.222 1.250 1.00 0.00 C ATOM 854 CD1 TYR A 69 10.307 -1.003 0.443 1.00 0.00 C ATOM 855 CD2 TYR A 69 9.236 -2.282 2.146 1.00 0.00 C ATOM 856 CE1 TYR A 69 11.422 -1.813 0.527 1.00 0.00 C ATOM 857 CE2 TYR A 69 10.348 -3.097 2.236 1.00 0.00 C ATOM 858 CZ TYR A 69 11.437 -2.860 1.425 1.00 0.00 C ATOM 859 OH TYR A 69 12.545 -3.671 1.513 1.00 0.00 O ATOM 0 H TYR A 69 8.191 0.630 3.423 1.00 0.00 H new ATOM 0 HA TYR A 69 9.187 1.426 0.866 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.239 -0.669 1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.530 -0.452 0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.297 -0.185 -0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.384 -2.472 2.782 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.277 -1.628 -0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.364 -3.917 2.939 1.00 0.00 H new ATOM 0 HH TYR A 69 12.960 -3.563 2.394 1.00 0.00 H new ATOM 867 N LEU A 70 6.052 2.093 1.622 1.00 0.00 N ATOM 868 CA LEU A 70 4.884 2.865 1.211 1.00 0.00 C ATOM 869 C LEU A 70 4.917 4.271 1.801 1.00 0.00 C ATOM 870 O LEU A 70 5.740 4.574 2.667 1.00 0.00 O ATOM 871 CB LEU A 70 3.600 2.153 1.647 1.00 0.00 C ATOM 872 CG LEU A 70 2.879 1.362 0.554 1.00 0.00 C ATOM 873 CD1 LEU A 70 2.227 2.309 -0.439 1.00 0.00 C ATOM 874 CD2 LEU A 70 3.839 0.418 -0.158 1.00 0.00 C ATOM 0 H LEU A 70 5.964 1.649 2.536 1.00 0.00 H new ATOM 0 HA LEU A 70 4.903 2.947 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.842 1.472 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.911 2.897 2.047 1.00 0.00 H new ATOM 0 HG LEU A 70 2.101 0.760 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.718 1.732 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.504 2.939 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.991 2.936 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.302 -0.133 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.643 0.994 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.260 -0.284 0.562 1.00 0.00 H new ATOM 884 N GLN A 71 4.011 5.120 1.330 1.00 0.00 N ATOM 885 CA GLN A 71 3.920 6.493 1.810 1.00 0.00 C ATOM 886 C GLN A 71 2.471 6.847 2.142 1.00 0.00 C ATOM 887 O GLN A 71 1.650 7.043 1.246 1.00 0.00 O ATOM 888 CB GLN A 71 4.476 7.462 0.765 1.00 0.00 C ATOM 889 CG GLN A 71 5.145 8.687 1.370 1.00 0.00 C ATOM 890 CD GLN A 71 6.569 8.414 1.813 1.00 0.00 C ATOM 891 OE1 GLN A 71 7.518 8.636 1.062 1.00 0.00 O ATOM 892 NE2 GLN A 71 6.724 7.928 3.039 1.00 0.00 N ATOM 0 H GLN A 71 3.326 4.880 0.613 1.00 0.00 H new ATOM 0 HA GLN A 71 4.516 6.581 2.718 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.197 6.935 0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.665 7.785 0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.144 9.495 0.639 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.562 9.030 2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.908 7.759 3.628 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.659 7.723 3.392 1.00 0.00 H new ATOM 897 N PRO A 72 2.132 6.921 3.445 1.00 0.00 N ATOM 898 CA PRO A 72 0.769 7.236 3.895 1.00 0.00 C ATOM 899 C PRO A 72 0.275 8.594 3.406 1.00 0.00 C ATOM 900 O PRO A 72 0.762 9.638 3.842 1.00 0.00 O ATOM 901 CB PRO A 72 0.887 7.234 5.424 1.00 0.00 C ATOM 902 CG PRO A 72 2.095 6.416 5.713 1.00 0.00 C ATOM 903 CD PRO A 72 3.039 6.687 4.583 1.00 0.00 C ATOM 0 HA PRO A 72 0.047 6.520 3.502 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.993 8.247 5.813 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.001 6.805 5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.538 6.693 6.670 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.847 5.356 5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.669 7.554 4.782 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.705 5.843 4.402 1.00 0.00 H new ATOM 905 N ALA A 73 -0.709 8.571 2.510 1.00 0.00 N ATOM 906 CA ALA A 73 -1.287 9.797 1.972 1.00 0.00 C ATOM 907 C ALA A 73 -2.579 10.147 2.707 1.00 0.00 C ATOM 908 O ALA A 73 -3.516 9.349 2.750 1.00 0.00 O ATOM 909 CB ALA A 73 -1.547 9.657 0.477 1.00 0.00 C ATOM 0 H ALA A 73 -1.122 7.714 2.142 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.573 10.607 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.978 10.582 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.608 9.454 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.241 8.834 0.304 1.00 0.00 H new ATOM 915 N GLY A 74 -2.615 11.342 3.291 1.00 0.00 N ATOM 916 CA GLY A 74 -3.791 11.776 4.024 1.00 0.00 C ATOM 917 C GLY A 74 -3.472 12.127 5.464 1.00 0.00 C ATOM 918 O GLY A 74 -2.358 11.895 5.932 1.00 0.00 O ATOM 0 H GLY A 74 -1.851 12.017 3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.226 12.644 3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.542 10.987 4.002 1.00 0.00 H new ATOM 922 N ASP A 75 -4.451 12.689 6.168 1.00 0.00 N ATOM 923 CA ASP A 75 -4.263 13.072 7.564 1.00 0.00 C ATOM 924 C ASP A 75 -4.407 11.866 8.486 1.00 0.00 C ATOM 925 O ASP A 75 -3.691 11.744 9.480 1.00 0.00 O ATOM 926 CB ASP A 75 -5.273 14.151 7.958 1.00 0.00 C ATOM 927 CG ASP A 75 -4.865 15.530 7.475 1.00 0.00 C ATOM 928 OD1 ASP A 75 -3.701 15.918 7.707 1.00 0.00 O ATOM 929 OD2 ASP A 75 -5.710 16.220 6.867 1.00 0.00 O ATOM 0 H ASP A 75 -5.380 12.889 5.796 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.254 13.469 7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.250 13.899 7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.380 14.166 9.043 1.00 0.00 H new ATOM 932 N MET A 76 -5.337 10.980 8.149 1.00 0.00 N ATOM 933 CA MET A 76 -5.579 9.782 8.946 1.00 0.00 C ATOM 934 C MET A 76 -4.330 8.910 9.014 1.00 0.00 C ATOM 935 O MET A 76 -3.811 8.635 10.097 1.00 0.00 O ATOM 936 CB MET A 76 -6.738 8.980 8.356 1.00 0.00 C ATOM 937 CG MET A 76 -7.211 7.854 9.257 1.00 0.00 C ATOM 938 SD MET A 76 -8.901 8.089 9.839 1.00 0.00 S ATOM 939 CE MET A 76 -8.638 8.187 11.608 1.00 0.00 C ATOM 0 H MET A 76 -5.937 11.068 7.329 1.00 0.00 H new ATOM 0 HA MET A 76 -5.837 10.096 9.957 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.573 9.653 8.159 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.431 8.563 7.397 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.146 6.910 8.716 1.00 0.00 H new ATOM 0 HG3 MET A 76 -6.543 7.776 10.115 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.594 8.333 12.111 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.180 7.262 11.960 1.00 0.00 H new ATOM 0 HE3 MET A 76 -7.979 9.026 11.832 1.00 0.00 H new ATOM 945 N SER A 77 -3.856 8.478 7.852 1.00 0.00 N ATOM 946 CA SER A 77 -2.669 7.633 7.770 1.00 0.00 C ATOM 947 C SER A 77 -1.434 8.361 8.295 1.00 0.00 C ATOM 948 O SER A 77 -0.416 7.735 8.591 1.00 0.00 O ATOM 949 CB SER A 77 -2.438 7.189 6.325 1.00 0.00 C ATOM 950 OG SER A 77 -3.598 7.393 5.536 1.00 0.00 O ATOM 0 H SER A 77 -4.277 8.699 6.950 1.00 0.00 H new ATOM 0 HA SER A 77 -2.837 6.756 8.394 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.603 7.745 5.900 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.162 6.135 6.305 1.00 0.00 H new ATOM 0 HG SER A 77 -3.423 7.103 4.616 1.00 0.00 H new ATOM 954 N LYS A 78 -1.529 9.682 8.408 1.00 0.00 N ATOM 955 CA LYS A 78 -0.416 10.488 8.898 1.00 0.00 C ATOM 956 C LYS A 78 -0.395 10.518 10.423 1.00 0.00 C ATOM 957 O LYS A 78 0.666 10.631 11.037 1.00 0.00 O ATOM 958 CB LYS A 78 -0.508 11.913 8.351 1.00 0.00 C ATOM 959 CG LYS A 78 0.813 12.665 8.382 1.00 0.00 C ATOM 960 CD LYS A 78 1.115 13.318 7.042 1.00 0.00 C ATOM 961 CE LYS A 78 2.461 12.874 6.497 1.00 0.00 C ATOM 962 NZ LYS A 78 3.522 13.890 6.738 1.00 0.00 N ATOM 0 H LYS A 78 -2.364 10.217 8.167 1.00 0.00 H new ATOM 0 HA LYS A 78 0.510 10.031 8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.871 11.876 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.246 12.468 8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.780 13.427 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.618 11.978 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.331 13.065 6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.107 14.402 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.748 11.932 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.375 12.686 5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.425 13.548 6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.261 14.782 6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.623 14.051 7.761 1.00 0.00 H new ATOM 968 N SER A 79 -1.574 10.417 11.029 1.00 0.00 N ATOM 969 CA SER A 79 -1.692 10.434 12.483 1.00 0.00 C ATOM 970 C SER A 79 -1.535 9.030 13.057 1.00 0.00 C ATOM 971 O SER A 79 -1.228 8.863 14.238 1.00 0.00 O ATOM 972 CB SER A 79 -3.043 11.021 12.899 1.00 0.00 C ATOM 973 OG SER A 79 -4.114 10.221 12.430 1.00 0.00 O ATOM 0 H SER A 79 -2.462 10.322 10.535 1.00 0.00 H new ATOM 0 HA SER A 79 -0.894 11.061 12.881 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.091 11.097 13.985 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.141 12.032 12.504 1.00 0.00 H new ATOM 0 HG SER A 79 -3.796 9.638 11.709 1.00 0.00 H new ATOM 977 N ALA A 80 -1.745 8.024 12.213 1.00 0.00 N ATOM 978 CA ALA A 80 -1.625 6.634 12.636 1.00 0.00 C ATOM 979 C ALA A 80 -0.203 6.317 13.082 1.00 0.00 C ATOM 980 O ALA A 80 0.006 5.640 14.089 1.00 0.00 O ATOM 981 CB ALA A 80 -2.049 5.701 11.513 1.00 0.00 C ATOM 0 H ALA A 80 -1.999 8.146 11.233 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.287 6.482 13.488 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.954 4.667 11.844 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.086 5.902 11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.411 5.864 10.644 1.00 0.00 H new ATOM 987 N VAL A 81 0.774 6.813 12.329 1.00 0.00 N ATOM 988 CA VAL A 81 2.178 6.584 12.652 1.00 0.00 C ATOM 989 C VAL A 81 2.706 7.667 13.586 1.00 0.00 C ATOM 990 O VAL A 81 3.866 7.633 13.998 1.00 0.00 O ATOM 991 CB VAL A 81 3.050 6.543 11.383 1.00 0.00 C ATOM 992 CG1 VAL A 81 2.812 5.253 10.611 1.00 0.00 C ATOM 993 CG2 VAL A 81 2.778 7.756 10.507 1.00 0.00 C ATOM 0 H VAL A 81 0.620 7.375 11.492 1.00 0.00 H new ATOM 0 HA VAL A 81 2.236 5.616 13.150 1.00 0.00 H new ATOM 0 HB VAL A 81 4.097 6.570 11.684 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.437 5.243 9.718 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.065 4.400 11.241 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.763 5.191 10.321 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.404 7.709 9.616 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.728 7.765 10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.007 8.665 11.063 1.00 0.00 H new ATOM 1003 N ASP A 82 1.846 8.626 13.915 1.00 0.00 N ATOM 1004 CA ASP A 82 2.220 9.720 14.803 1.00 0.00 C ATOM 1005 C ASP A 82 2.202 9.265 16.258 1.00 0.00 C ATOM 1006 O ASP A 82 3.252 9.073 16.872 1.00 0.00 O ATOM 1007 CB ASP A 82 1.272 10.907 14.612 1.00 0.00 C ATOM 1008 CG ASP A 82 1.723 12.134 15.379 1.00 0.00 C ATOM 1009 OD1 ASP A 82 2.803 12.671 15.056 1.00 0.00 O ATOM 1010 OD2 ASP A 82 0.996 12.559 16.301 1.00 0.00 O ATOM 0 H ASP A 82 0.884 8.667 13.579 1.00 0.00 H new ATOM 0 HA ASP A 82 3.233 10.032 14.551 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.206 11.149 13.551 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.271 10.625 14.938 1.00 0.00 H new ATOM 1013 N GLY A 83 1.000 9.093 16.804 1.00 0.00 N ATOM 1014 CA GLY A 83 0.866 8.659 18.181 1.00 0.00 C ATOM 1015 C GLY A 83 0.954 7.152 18.324 1.00 0.00 C ATOM 1016 O GLY A 83 2.022 6.609 18.607 1.00 0.00 O ATOM 0 H GLY A 83 0.118 9.247 16.316 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.646 9.124 18.783 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.090 9.003 18.576 1.00 0.00 H new ATOM 1020 N THR A 84 -0.172 6.474 18.123 1.00 0.00 N ATOM 1021 CA THR A 84 -0.219 5.020 18.228 1.00 0.00 C ATOM 1022 C THR A 84 0.282 4.365 16.945 1.00 0.00 C ATOM 1023 O THR A 84 -0.508 3.952 16.095 1.00 0.00 O ATOM 1024 CB THR A 84 -1.647 4.523 18.524 1.00 0.00 C ATOM 1025 OG1 THR A 84 -2.293 5.408 19.445 1.00 0.00 O ATOM 1026 CG2 THR A 84 -1.620 3.116 19.101 1.00 0.00 C ATOM 0 H THR A 84 -1.064 6.909 17.886 1.00 0.00 H new ATOM 0 HA THR A 84 0.431 4.739 19.056 1.00 0.00 H new ATOM 0 HB THR A 84 -2.203 4.505 17.587 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.201 5.086 19.626 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.639 2.786 19.302 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.153 2.438 18.386 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.048 3.114 20.029 1.00 0.00 H new ATOM 1034 N ALA A 85 1.605 4.276 16.810 1.00 0.00 N ATOM 1035 CA ALA A 85 2.215 3.675 15.629 1.00 0.00 C ATOM 1036 C ALA A 85 2.246 2.152 15.729 1.00 0.00 C ATOM 1037 O ALA A 85 3.137 1.504 15.179 1.00 0.00 O ATOM 1038 CB ALA A 85 3.621 4.221 15.430 1.00 0.00 C ATOM 0 H ALA A 85 2.272 4.613 17.504 1.00 0.00 H new ATOM 0 HA ALA A 85 1.604 3.938 14.765 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.066 3.765 14.546 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.576 5.302 15.298 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.229 3.987 16.304 1.00 0.00 H new ATOM 1044 N GLU A 86 1.268 1.585 16.429 1.00 0.00 N ATOM 1045 CA GLU A 86 1.188 0.137 16.591 1.00 0.00 C ATOM 1046 C GLU A 86 0.979 -0.540 15.245 1.00 0.00 C ATOM 1047 O GLU A 86 1.604 -1.556 14.939 1.00 0.00 O ATOM 1048 CB GLU A 86 0.052 -0.229 17.547 1.00 0.00 C ATOM 1049 CG GLU A 86 0.335 -1.470 18.382 1.00 0.00 C ATOM 1050 CD GLU A 86 0.359 -1.180 19.869 1.00 0.00 C ATOM 1051 OE1 GLU A 86 -0.556 -0.481 20.354 1.00 0.00 O ATOM 1052 OE2 GLU A 86 1.292 -1.654 20.550 1.00 0.00 O ATOM 0 H GLU A 86 0.522 2.104 16.892 1.00 0.00 H new ATOM 0 HA GLU A 86 2.129 -0.214 17.014 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.136 0.612 18.214 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.859 -0.389 16.971 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.425 -2.224 18.175 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.294 -1.894 18.083 1.00 0.00 H new ATOM 1055 N ASN A 87 0.095 0.036 14.445 1.00 0.00 N ATOM 1056 CA ASN A 87 -0.210 -0.495 13.122 1.00 0.00 C ATOM 1057 C ASN A 87 -0.143 0.607 12.065 1.00 0.00 C ATOM 1058 O ASN A 87 -1.113 1.340 11.863 1.00 0.00 O ATOM 1059 CB ASN A 87 -1.595 -1.146 13.113 1.00 0.00 C ATOM 1060 CG ASN A 87 -2.631 -0.330 13.864 1.00 0.00 C ATOM 1061 OD1 ASN A 87 -2.409 0.837 14.189 1.00 0.00 O ATOM 1062 ND2 ASN A 87 -3.778 -0.941 14.141 1.00 0.00 N ATOM 0 H ASN A 87 -0.428 0.877 14.690 1.00 0.00 H new ATOM 0 HA ASN A 87 0.537 -1.251 12.881 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.922 -1.280 12.082 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.528 -2.139 13.558 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.514 -0.442 14.640 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.922 -1.909 13.854 1.00 0.00 H new ATOM 1067 N PRO A 88 1.003 0.745 11.372 1.00 0.00 N ATOM 1068 CA PRO A 88 1.175 1.769 10.336 1.00 0.00 C ATOM 1069 C PRO A 88 0.249 1.550 9.144 1.00 0.00 C ATOM 1070 O PRO A 88 -0.574 2.407 8.821 1.00 0.00 O ATOM 1071 CB PRO A 88 2.641 1.618 9.913 1.00 0.00 C ATOM 1072 CG PRO A 88 3.014 0.230 10.305 1.00 0.00 C ATOM 1073 CD PRO A 88 2.214 -0.080 11.539 1.00 0.00 C ATOM 0 HA PRO A 88 0.930 2.764 10.708 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.760 1.771 8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 88 3.273 2.352 10.412 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.788 -0.476 9.506 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.083 0.154 10.504 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.972 -1.141 11.606 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.757 0.181 12.447 1.00 0.00 H new ATOM 1075 N PHE A 89 0.387 0.397 8.496 1.00 0.00 N ATOM 1076 CA PHE A 89 -0.439 0.067 7.340 1.00 0.00 C ATOM 1077 C PHE A 89 -1.868 -0.262 7.765 1.00 0.00 C ATOM 1078 O PHE A 89 -2.086 -1.044 8.691 1.00 0.00 O ATOM 1079 CB PHE A 89 0.166 -1.112 6.575 1.00 0.00 C ATOM 1080 CG PHE A 89 -0.391 -1.285 5.190 1.00 0.00 C ATOM 1081 CD1 PHE A 89 -1.520 -2.059 4.974 1.00 0.00 C ATOM 1082 CD2 PHE A 89 0.217 -0.675 4.104 1.00 0.00 C ATOM 1083 CE1 PHE A 89 -2.033 -2.222 3.701 1.00 0.00 C ATOM 1084 CE2 PHE A 89 -0.290 -0.836 2.828 1.00 0.00 C ATOM 1085 CZ PHE A 89 -1.416 -1.610 2.627 1.00 0.00 C ATOM 0 H PHE A 89 1.062 -0.323 8.752 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.468 0.938 6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.245 -0.975 6.508 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.004 -2.027 7.142 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.005 -2.541 5.810 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.097 -0.067 4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.914 -2.827 3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.194 -0.357 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.814 -1.737 1.631 1.00 0.00 H new ATOM 1093 N LEU A 90 -2.833 0.339 7.079 1.00 0.00 N ATOM 1094 CA LEU A 90 -4.243 0.116 7.378 1.00 0.00 C ATOM 1095 C LEU A 90 -4.968 -0.484 6.180 1.00 0.00 C ATOM 1096 O LEU A 90 -4.779 -0.045 5.046 1.00 0.00 O ATOM 1097 CB LEU A 90 -4.916 1.431 7.783 1.00 0.00 C ATOM 1098 CG LEU A 90 -4.514 1.972 9.156 1.00 0.00 C ATOM 1099 CD1 LEU A 90 -4.970 3.414 9.313 1.00 0.00 C ATOM 1100 CD2 LEU A 90 -5.095 1.102 10.261 1.00 0.00 C ATOM 0 H LEU A 90 -2.664 0.987 6.309 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.302 -0.589 8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.685 2.186 7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.996 1.287 7.769 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.427 1.946 9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.676 3.784 10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.507 4.028 8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.054 3.465 9.216 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.799 1.501 11.231 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.182 1.097 10.187 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.720 0.084 10.158 1.00 0.00 H new ATOM 1110 N ASP A 91 -5.804 -1.484 6.439 1.00 0.00 N ATOM 1111 CA ASP A 91 -6.567 -2.136 5.382 1.00 0.00 C ATOM 1112 C ASP A 91 -7.867 -1.380 5.124 1.00 0.00 C ATOM 1113 O ASP A 91 -8.879 -1.970 4.746 1.00 0.00 O ATOM 1114 CB ASP A 91 -6.870 -3.586 5.763 1.00 0.00 C ATOM 1115 CG ASP A 91 -7.765 -3.687 6.982 1.00 0.00 C ATOM 1116 OD1 ASP A 91 -7.248 -3.548 8.111 1.00 0.00 O ATOM 1117 OD2 ASP A 91 -8.983 -3.906 6.808 1.00 0.00 O ATOM 0 H ASP A 91 -5.970 -1.860 7.372 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.970 -2.130 4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.348 -4.088 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.935 -4.111 5.958 1.00 0.00 H new ATOM 1120 N ASN A 92 -7.826 -0.070 5.340 1.00 0.00 N ATOM 1121 CA ASN A 92 -8.993 0.780 5.143 1.00 0.00 C ATOM 1122 C ASN A 92 -8.864 1.596 3.855 1.00 0.00 C ATOM 1123 O ASN A 92 -7.757 1.942 3.442 1.00 0.00 O ATOM 1124 CB ASN A 92 -9.165 1.714 6.342 1.00 0.00 C ATOM 1125 CG ASN A 92 -10.602 1.782 6.824 1.00 0.00 C ATOM 1126 OD1 ASN A 92 -11.259 0.756 7.000 1.00 0.00 O ATOM 1127 ND2 ASN A 92 -11.098 2.996 7.038 1.00 0.00 N ATOM 0 H ASN A 92 -6.993 0.428 5.653 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.872 0.142 5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.527 1.374 7.158 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.829 2.715 6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.059 3.104 7.361 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.517 3.819 6.879 1.00 0.00 H new ATOM 1132 N PRO A 93 -9.997 1.909 3.199 1.00 0.00 N ATOM 1133 CA PRO A 93 -10.010 2.681 1.954 1.00 0.00 C ATOM 1134 C PRO A 93 -9.734 4.161 2.191 1.00 0.00 C ATOM 1135 O PRO A 93 -9.186 4.848 1.326 1.00 0.00 O ATOM 1136 CB PRO A 93 -11.437 2.488 1.412 1.00 0.00 C ATOM 1137 CG PRO A 93 -12.076 1.464 2.294 1.00 0.00 C ATOM 1138 CD PRO A 93 -11.357 1.539 3.607 1.00 0.00 C ATOM 0 HA PRO A 93 -9.234 2.345 1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.993 3.425 1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.419 2.153 0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -13.139 1.667 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.991 0.468 1.860 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.799 2.282 4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.378 0.587 4.137 1.00 0.00 H new ATOM 1140 N ASP A 94 -10.119 4.646 3.368 1.00 0.00 N ATOM 1141 CA ASP A 94 -9.919 6.046 3.726 1.00 0.00 C ATOM 1142 C ASP A 94 -8.439 6.418 3.687 1.00 0.00 C ATOM 1143 O ASP A 94 -8.057 7.420 3.083 1.00 0.00 O ATOM 1144 CB ASP A 94 -10.488 6.321 5.120 1.00 0.00 C ATOM 1145 CG ASP A 94 -11.505 7.445 5.121 1.00 0.00 C ATOM 1146 OD1 ASP A 94 -11.311 8.422 4.365 1.00 0.00 O ATOM 1147 OD2 ASP A 94 -12.494 7.349 5.875 1.00 0.00 O ATOM 0 H ASP A 94 -10.572 4.088 4.092 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.446 6.659 2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.954 5.414 5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.673 6.572 5.798 1.00 0.00 H new ATOM 1150 N ALA A 95 -7.611 5.601 4.331 1.00 0.00 N ATOM 1151 CA ALA A 95 -6.174 5.842 4.369 1.00 0.00 C ATOM 1152 C ALA A 95 -5.536 5.535 3.019 1.00 0.00 C ATOM 1153 O ALA A 95 -5.645 4.418 2.512 1.00 0.00 O ATOM 1154 CB ALA A 95 -5.529 5.004 5.463 1.00 0.00 C ATOM 0 H ALA A 95 -7.912 4.766 4.834 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.009 6.896 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.456 5.193 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.961 5.271 6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.708 3.947 5.265 1.00 0.00 H new ATOM 1160 N PHE A 96 -4.871 6.532 2.435 1.00 0.00 N ATOM 1161 CA PHE A 96 -4.223 6.356 1.140 1.00 0.00 C ATOM 1162 C PHE A 96 -2.786 5.879 1.305 1.00 0.00 C ATOM 1163 O PHE A 96 -2.156 6.110 2.336 1.00 0.00 O ATOM 1164 CB PHE A 96 -4.238 7.662 0.346 1.00 0.00 C ATOM 1165 CG PHE A 96 -5.607 8.244 0.154 1.00 0.00 C ATOM 1166 CD1 PHE A 96 -6.579 7.551 -0.547 1.00 0.00 C ATOM 1167 CD2 PHE A 96 -5.917 9.491 0.673 1.00 0.00 C ATOM 1168 CE1 PHE A 96 -7.838 8.090 -0.727 1.00 0.00 C ATOM 1169 CE2 PHE A 96 -7.174 10.035 0.495 1.00 0.00 C ATOM 1170 CZ PHE A 96 -8.134 9.335 -0.204 1.00 0.00 C ATOM 0 H PHE A 96 -4.768 7.464 2.837 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.784 5.598 0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.612 8.393 0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.789 7.486 -0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.350 6.579 -0.958 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.168 10.043 1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -8.589 7.540 -1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.405 11.008 0.903 1.00 0.00 H new ATOM 0 HZ PHE A 96 -9.117 9.759 -0.343 1.00 0.00 H new ATOM 1178 N TYR A 97 -2.277 5.216 0.271 1.00 0.00 N ATOM 1179 CA TYR A 97 -0.913 4.702 0.270 1.00 0.00 C ATOM 1180 C TYR A 97 -0.368 4.667 -1.153 1.00 0.00 C ATOM 1181 O TYR A 97 -0.842 3.894 -1.976 1.00 0.00 O ATOM 1182 CB TYR A 97 -0.870 3.292 0.873 1.00 0.00 C ATOM 1183 CG TYR A 97 -1.259 3.235 2.333 1.00 0.00 C ATOM 1184 CD1 TYR A 97 -0.360 3.601 3.325 1.00 0.00 C ATOM 1185 CD2 TYR A 97 -2.528 2.818 2.718 1.00 0.00 C ATOM 1186 CE1 TYR A 97 -0.711 3.554 4.660 1.00 0.00 C ATOM 1187 CE2 TYR A 97 -2.887 2.769 4.052 1.00 0.00 C ATOM 1188 CZ TYR A 97 -1.976 3.137 5.019 1.00 0.00 C ATOM 1189 OH TYR A 97 -2.329 3.088 6.348 1.00 0.00 O ATOM 0 H TYR A 97 -2.796 5.021 -0.585 1.00 0.00 H new ATOM 0 HA TYR A 97 -0.295 5.364 0.876 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.537 2.644 0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.137 2.890 0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.631 3.928 3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -3.244 2.528 1.963 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.001 3.842 5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.877 2.444 4.335 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.548 2.839 6.885 1.00 0.00 H new ATOM 1197 N TYR A 98 0.623 5.506 -1.439 1.00 0.00 N ATOM 1198 CA TYR A 98 1.216 5.553 -2.775 1.00 0.00 C ATOM 1199 C TYR A 98 2.681 5.127 -2.735 1.00 0.00 C ATOM 1200 O TYR A 98 3.259 4.965 -1.659 1.00 0.00 O ATOM 1201 CB TYR A 98 1.094 6.957 -3.373 1.00 0.00 C ATOM 1202 CG TYR A 98 1.840 8.026 -2.605 1.00 0.00 C ATOM 1203 CD1 TYR A 98 1.273 8.633 -1.491 1.00 0.00 C ATOM 1204 CD2 TYR A 98 3.108 8.434 -3.000 1.00 0.00 C ATOM 1205 CE1 TYR A 98 1.948 9.615 -0.792 1.00 0.00 C ATOM 1206 CE2 TYR A 98 3.791 9.414 -2.305 1.00 0.00 C ATOM 1207 CZ TYR A 98 3.208 10.001 -1.202 1.00 0.00 C ATOM 1208 OH TYR A 98 3.883 10.978 -0.507 1.00 0.00 O ATOM 0 H TYR A 98 1.031 6.159 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 98 0.669 4.855 -3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.465 6.936 -4.398 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.040 7.229 -3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.288 8.332 -1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.567 7.978 -3.864 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.492 10.078 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.777 9.719 -2.624 1.00 0.00 H new ATOM 0 HH TYR A 98 4.756 11.132 -0.924 1.00 0.00 H new ATOM 1216 N PHE A 99 3.274 4.947 -3.912 1.00 0.00 N ATOM 1217 CA PHE A 99 4.671 4.537 -4.005 1.00 0.00 C ATOM 1218 C PHE A 99 5.598 5.748 -4.101 1.00 0.00 C ATOM 1219 O PHE A 99 5.426 6.604 -4.967 1.00 0.00 O ATOM 1220 CB PHE A 99 4.875 3.622 -5.217 1.00 0.00 C ATOM 1221 CG PHE A 99 4.336 2.231 -5.019 1.00 0.00 C ATOM 1222 CD1 PHE A 99 4.594 1.531 -3.850 1.00 0.00 C ATOM 1223 CD2 PHE A 99 3.573 1.625 -6.003 1.00 0.00 C ATOM 1224 CE1 PHE A 99 4.099 0.255 -3.667 1.00 0.00 C ATOM 1225 CE2 PHE A 99 3.076 0.346 -5.824 1.00 0.00 C ATOM 1226 CZ PHE A 99 3.339 -0.339 -4.655 1.00 0.00 C ATOM 0 H PHE A 99 2.811 5.078 -4.811 1.00 0.00 H new ATOM 0 HA PHE A 99 4.921 3.989 -3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.392 4.070 -6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.940 3.562 -5.441 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.189 1.989 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.364 2.156 -6.920 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.306 -0.278 -2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.482 -0.116 -6.599 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.951 -1.337 -4.513 1.00 0.00 H new TER 1234 PHE A 99