USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 721 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 17 MET CE :methyl -177:sc= 0 (180deg=-0.00738) USER MOD Set 1.2: A 80 TYR OH : rot -61:sc= 1.1 USER MOD Set 2.1: A 64 THR OG1 : rot 65:sc= 0.582! USER MOD Set 2.2: A 67 SER OG : rot -137:sc= 1.12 USER MOD Single : A 1 MET CE :methyl 156:sc= 0 (180deg=-0.95) USER MOD Single : A 1 MET N :NH3+ -124:sc= -0.805 (180deg=-2.84!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.47) USER MOD Single : A 18 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-11!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -150:sc= -3.9 (180deg=-7.58!) USER MOD Single : A 31 THR OG1 : rot -25:sc= 0.587 USER MOD Single : A 34 SER OG : rot 171:sc= -2.81! USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -1.63! (180deg=-2.03!) USER MOD Single : A 38 MET CE :methyl -143:sc= -7.04! (180deg=-11.4!) USER MOD Single : A 43 TYR OH : rot 161:sc= 1.54 USER MOD Single : A 50 GLN : amide:sc= -2.65! C(o=-2.7!,f=-5.8!) USER MOD Single : A 51 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.12) USER MOD Single : A 56 GLN : amide:sc= 0.644 K(o=0.64,f=-8!) USER MOD Single : A 62 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.7) USER MOD Single : A 66 HIS : no HE2:sc= -5! C(o=-5!,f=-8.2!) USER MOD Single : A 68 HIS : +bothHN:sc= -0.509 K(o=-0.51,f=-14!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.751 K(o=-0.75,f=-2.7!) USER MOD Single : A 76 SER OG : rot -116:sc= 0.0694 USER MOD Single : A 78 TYR OH : rot -62:sc= -0.193 USER MOD Single : A 83 SER OG : rot 180:sc= 0.17 USER MOD Single : A 86 ASN :FLIP amide:sc= -3.8! C(o=-4.9!,f=-3.8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.100 -0.110 3.418 1.00 3.24 N ATOM 2 CA MET A 1 5.239 -1.345 2.610 1.00 12.54 C ATOM 3 C MET A 1 4.709 -1.080 1.195 1.00 41.00 C ATOM 4 O MET A 1 3.660 -1.611 0.801 1.00 41.40 O ATOM 5 CB MET A 1 4.444 -2.485 3.272 1.00 64.21 C ATOM 6 CG MET A 1 5.196 -2.994 4.510 1.00 31.12 C ATOM 7 SD MET A 1 4.277 -4.377 5.244 1.00 74.30 S ATOM 8 CE MET A 1 5.698 -5.427 5.656 1.00 21.22 C ATOM 0 H1 MET A 1 6.027 0.158 3.805 1.00 3.24 H new ATOM 0 H2 MET A 1 4.741 0.659 2.817 1.00 3.24 H new ATOM 0 H3 MET A 1 4.434 -0.279 4.199 1.00 3.24 H new ATOM 0 HA MET A 1 6.288 -1.636 2.552 1.00 12.54 H new ATOM 0 HB2 MET A 1 3.453 -2.132 3.557 1.00 64.21 H new ATOM 0 HB3 MET A 1 4.300 -3.300 2.562 1.00 64.21 H new ATOM 0 HG2 MET A 1 6.200 -3.316 4.233 1.00 31.12 H new ATOM 0 HG3 MET A 1 5.308 -2.190 5.237 1.00 31.12 H new ATOM 0 HE1 MET A 1 5.428 -6.103 6.468 1.00 21.22 H new ATOM 0 HE2 MET A 1 5.987 -6.009 4.781 1.00 21.22 H new ATOM 0 HE3 MET A 1 6.534 -4.801 5.968 1.00 21.22 H new ATOM 20 N PRO A 2 5.402 -0.262 0.425 1.00 54.43 N ATOM 21 CA PRO A 2 4.971 0.088 -0.971 1.00 61.14 C ATOM 22 C PRO A 2 4.758 -1.169 -1.816 1.00 54.42 C ATOM 23 O PRO A 2 3.769 -1.280 -2.540 1.00 70.24 O ATOM 24 CB PRO A 2 6.158 0.898 -1.509 1.00 31.13 C ATOM 25 CG PRO A 2 6.796 1.481 -0.292 1.00 35.04 C ATOM 26 CD PRO A 2 6.664 0.415 0.791 1.00 21.25 C ATOM 0 HA PRO A 2 4.025 0.629 -0.998 1.00 61.14 H new ATOM 0 HB2 PRO A 2 6.855 0.264 -2.057 1.00 31.13 H new ATOM 0 HB3 PRO A 2 5.828 1.677 -2.196 1.00 31.13 H new ATOM 0 HG2 PRO A 2 7.842 1.725 -0.477 1.00 35.04 H new ATOM 0 HG3 PRO A 2 6.301 2.405 0.005 1.00 35.04 H new ATOM 0 HD2 PRO A 2 7.509 -0.273 0.787 1.00 21.25 H new ATOM 0 HD3 PRO A 2 6.614 0.854 1.788 1.00 21.25 H new ATOM 34 N THR A 3 5.641 -2.132 -1.643 1.00 60.23 N ATOM 35 CA THR A 3 5.536 -3.425 -2.309 1.00 34.02 C ATOM 36 C THR A 3 5.673 -4.529 -1.268 1.00 24.54 C ATOM 37 O THR A 3 6.127 -4.266 -0.148 1.00 23.13 O ATOM 38 CB THR A 3 6.622 -3.550 -3.391 1.00 41.34 C ATOM 39 OG1 THR A 3 7.833 -2.958 -2.922 1.00 64.32 O ATOM 40 CG2 THR A 3 6.167 -2.828 -4.664 1.00 33.11 C ATOM 0 H THR A 3 6.456 -2.045 -1.036 1.00 60.23 H new ATOM 0 HA THR A 3 4.566 -3.515 -2.797 1.00 34.02 H new ATOM 0 HB THR A 3 6.790 -4.604 -3.611 1.00 41.34 H new ATOM 0 HG1 THR A 3 8.525 -3.039 -3.611 1.00 64.32 H new ATOM 0 HG21 THR A 3 6.938 -2.918 -5.429 1.00 33.11 H new ATOM 0 HG22 THR A 3 5.242 -3.277 -5.026 1.00 33.11 H new ATOM 0 HG23 THR A 3 5.996 -1.774 -4.443 1.00 33.11 H new ATOM 48 N GLN A 4 5.216 -5.735 -1.583 1.00 24.52 N ATOM 49 CA GLN A 4 5.245 -6.797 -0.588 1.00 33.21 C ATOM 50 C GLN A 4 6.654 -7.314 -0.345 1.00 75.12 C ATOM 51 O GLN A 4 7.375 -7.708 -1.276 1.00 45.13 O ATOM 52 CB GLN A 4 4.301 -7.947 -0.933 1.00 50.20 C ATOM 53 CG GLN A 4 2.845 -7.451 -0.886 1.00 63.15 C ATOM 54 CD GLN A 4 1.880 -8.592 -1.187 1.00 61.42 C ATOM 55 OE1 GLN A 4 2.301 -9.739 -1.332 1.00 73.13 O ATOM 56 NE2 GLN A 4 0.608 -8.357 -1.283 1.00 13.31 N ATOM 0 H GLN A 4 4.832 -5.997 -2.491 1.00 24.52 H new ATOM 0 HA GLN A 4 4.888 -6.348 0.339 1.00 33.21 H new ATOM 0 HB2 GLN A 4 4.532 -8.335 -1.925 1.00 50.20 H new ATOM 0 HB3 GLN A 4 4.439 -8.768 -0.229 1.00 50.20 H new ATOM 0 HG2 GLN A 4 2.629 -7.034 0.098 1.00 63.15 H new ATOM 0 HG3 GLN A 4 2.705 -6.648 -1.610 1.00 63.15 H new ATOM 0 HE21 GLN A 4 0.254 -7.408 -1.164 1.00 13.31 H new ATOM 0 HE22 GLN A 4 -0.039 -9.121 -1.478 1.00 13.31 H new ATOM 65 N ASP A 5 6.997 -7.369 0.916 1.00 70.34 N ATOM 66 CA ASP A 5 8.278 -7.874 1.377 1.00 52.01 C ATOM 67 C ASP A 5 8.205 -9.375 1.472 1.00 14.04 C ATOM 68 O ASP A 5 7.114 -9.946 1.385 1.00 34.30 O ATOM 69 CB ASP A 5 8.589 -7.319 2.778 1.00 72.04 C ATOM 70 CG ASP A 5 8.621 -5.801 2.783 1.00 32.43 C ATOM 71 OD1 ASP A 5 9.044 -5.226 1.807 1.00 63.22 O ATOM 72 OD2 ASP A 5 8.219 -5.228 3.765 1.00 71.24 O ATOM 0 H ASP A 5 6.386 -7.059 1.672 1.00 70.34 H new ATOM 0 HA ASP A 5 9.055 -7.566 0.677 1.00 52.01 H new ATOM 0 HB2 ASP A 5 7.837 -7.670 3.484 1.00 72.04 H new ATOM 0 HB3 ASP A 5 9.550 -7.705 3.118 1.00 72.04 H new ATOM 77 N ILE A 6 9.304 -9.996 1.836 1.00 61.21 N ATOM 78 CA ILE A 6 9.290 -11.416 2.106 1.00 73.32 C ATOM 79 C ILE A 6 9.698 -11.658 3.542 1.00 11.45 C ATOM 80 O ILE A 6 10.360 -10.811 4.168 1.00 13.11 O ATOM 81 CB ILE A 6 10.207 -12.186 1.143 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.668 -11.762 1.322 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.788 -11.884 -0.293 1.00 61.31 C ATOM 84 CD1 ILE A 6 12.562 -12.713 0.523 1.00 10.12 C ATOM 0 H ILE A 6 10.212 -9.545 1.951 1.00 61.21 H new ATOM 0 HA ILE A 6 8.277 -11.787 1.949 1.00 73.32 H new ATOM 0 HB ILE A 6 10.117 -13.251 1.358 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.808 -10.737 0.980 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.941 -11.786 2.377 1.00 42.14 H new ATOM 0 HG21 ILE A 6 10.434 -12.427 -0.982 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.754 -12.195 -0.443 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.876 -10.814 -0.480 1.00 61.31 H new ATOM 0 HD11 ILE A 6 13.605 -12.420 0.644 1.00 10.12 H new ATOM 0 HD12 ILE A 6 12.427 -13.731 0.887 1.00 10.12 H new ATOM 0 HD13 ILE A 6 12.292 -12.666 -0.532 1.00 10.12 H new ATOM 96 N ARG A 7 9.222 -12.753 4.092 1.00 43.32 N ATOM 97 CA ARG A 7 9.458 -13.062 5.481 1.00 44.44 C ATOM 98 C ARG A 7 10.411 -14.224 5.579 1.00 14.40 C ATOM 99 O ARG A 7 10.067 -15.336 5.177 1.00 73.14 O ATOM 100 CB ARG A 7 8.133 -13.432 6.159 1.00 13.53 C ATOM 101 CG ARG A 7 7.054 -12.421 5.759 1.00 74.33 C ATOM 102 CD ARG A 7 5.744 -12.740 6.488 1.00 62.21 C ATOM 103 NE ARG A 7 5.190 -14.017 6.037 1.00 62.41 N ATOM 104 CZ ARG A 7 4.089 -14.538 6.587 1.00 20.20 C ATOM 105 NH1 ARG A 7 3.493 -13.912 7.558 1.00 41.23 N ATOM 106 NH2 ARG A 7 3.609 -15.663 6.145 1.00 33.44 N ATOM 0 H ARG A 7 8.666 -13.447 3.593 1.00 43.32 H new ATOM 0 HA ARG A 7 9.888 -12.192 5.978 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.831 -14.437 5.866 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.256 -13.439 7.242 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.381 -11.411 6.005 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.897 -12.451 4.681 1.00 74.33 H new ATOM 0 HD2 ARG A 7 5.921 -12.776 7.563 1.00 62.21 H new ATOM 0 HD3 ARG A 7 5.022 -11.943 6.311 1.00 62.21 H new ATOM 0 HE ARG A 7 5.656 -14.522 5.284 1.00 62.41 H new ATOM 0 HH11 ARG A 7 3.866 -13.026 7.898 1.00 41.23 H new ATOM 0 HH12 ARG A 7 2.653 -14.307 7.980 1.00 41.23 H new ATOM 0 HH21 ARG A 7 4.073 -16.149 5.378 1.00 33.44 H new ATOM 0 HH22 ARG A 7 2.769 -16.059 6.566 1.00 33.44 H new ATOM 120 N LEU A 8 11.568 -13.983 6.162 1.00 14.31 N ATOM 121 CA LEU A 8 12.560 -15.018 6.333 1.00 32.33 C ATOM 122 C LEU A 8 12.601 -15.466 7.773 1.00 71.45 C ATOM 123 O LEU A 8 12.766 -14.647 8.689 1.00 32.14 O ATOM 124 CB LEU A 8 13.949 -14.515 5.894 1.00 51.41 C ATOM 125 CG LEU A 8 15.057 -15.480 6.373 1.00 41.23 C ATOM 126 CD1 LEU A 8 14.902 -16.847 5.701 1.00 43.15 C ATOM 127 CD2 LEU A 8 16.428 -14.898 6.017 1.00 70.54 C ATOM 0 H LEU A 8 11.843 -13.071 6.527 1.00 14.31 H new ATOM 0 HA LEU A 8 12.286 -15.867 5.706 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.982 -14.426 4.808 1.00 51.41 H new ATOM 0 HB3 LEU A 8 14.126 -13.520 6.301 1.00 51.41 H new ATOM 0 HG LEU A 8 14.972 -15.603 7.453 1.00 41.23 H new ATOM 0 HD11 LEU A 8 15.690 -17.515 6.049 1.00 43.15 H new ATOM 0 HD12 LEU A 8 13.930 -17.269 5.955 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.976 -16.731 4.620 1.00 43.15 H new ATOM 0 HD21 LEU A 8 17.211 -15.578 6.354 1.00 70.54 H new ATOM 0 HD22 LEU A 8 16.500 -14.770 4.937 1.00 70.54 H new ATOM 0 HD23 LEU A 8 16.551 -13.932 6.506 1.00 70.54 H new ATOM 139 N TRP A 9 12.511 -16.761 7.965 1.00 31.14 N ATOM 140 CA TRP A 9 12.607 -17.357 9.282 1.00 63.14 C ATOM 141 C TRP A 9 13.880 -18.150 9.327 1.00 61.44 C ATOM 142 O TRP A 9 14.205 -18.869 8.368 1.00 73.50 O ATOM 143 CB TRP A 9 11.400 -18.280 9.563 1.00 41.11 C ATOM 144 CG TRP A 9 10.377 -18.105 8.491 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.828 -16.926 8.124 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.784 -19.113 7.637 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.948 -17.152 7.094 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.881 -18.481 6.761 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.937 -20.506 7.538 1.00 61.33 C ATOM 150 CZ2 TRP A 9 8.161 -19.195 5.821 1.00 2.34 C ATOM 151 CZ3 TRP A 9 9.208 -21.230 6.585 1.00 53.55 C ATOM 152 CH2 TRP A 9 8.321 -20.574 5.728 1.00 21.20 C ATOM 0 H TRP A 9 12.369 -17.435 7.212 1.00 31.14 H new ATOM 0 HA TRP A 9 12.606 -16.577 10.043 1.00 63.14 H new ATOM 0 HB2 TRP A 9 11.726 -19.319 9.603 1.00 41.11 H new ATOM 0 HB3 TRP A 9 10.967 -18.044 10.535 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.045 -15.965 8.567 1.00 3.20 H new ATOM 0 HE1 TRP A 9 8.409 -16.420 6.632 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.619 -21.021 8.199 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 7.476 -18.684 5.161 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 9.333 -22.300 6.513 1.00 53.55 H new ATOM 0 HH2 TRP A 9 7.761 -21.136 4.995 1.00 21.20 H new ATOM 163 N VAL A 10 14.652 -17.960 10.360 1.00 73.13 N ATOM 164 CA VAL A 10 15.933 -18.606 10.427 1.00 21.41 C ATOM 165 C VAL A 10 16.042 -19.438 11.686 1.00 54.12 C ATOM 166 O VAL A 10 15.834 -18.931 12.803 1.00 12.11 O ATOM 167 CB VAL A 10 17.047 -17.547 10.359 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.417 -18.173 10.620 1.00 72.42 C ATOM 169 CG2 VAL A 10 17.038 -16.872 8.983 1.00 2.31 C ATOM 0 H VAL A 10 14.421 -17.370 11.159 1.00 73.13 H new ATOM 0 HA VAL A 10 16.043 -19.280 9.577 1.00 21.41 H new ATOM 0 HB VAL A 10 16.859 -16.802 11.132 1.00 41.13 H new ATOM 0 HG11 VAL A 10 19.186 -17.402 10.566 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.427 -18.626 11.611 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.617 -18.938 9.869 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.829 -16.123 8.940 1.00 2.31 H new ATOM 0 HG22 VAL A 10 17.205 -17.621 8.209 1.00 2.31 H new ATOM 0 HG23 VAL A 10 16.073 -16.391 8.820 1.00 2.31 H new ATOM 179 N SER A 11 16.446 -20.686 11.516 1.00 71.44 N ATOM 180 CA SER A 11 16.700 -21.549 12.645 1.00 32.15 C ATOM 181 C SER A 11 18.018 -21.132 13.264 1.00 55.14 C ATOM 182 O SER A 11 18.999 -20.912 12.543 1.00 33.30 O ATOM 183 CB SER A 11 16.774 -23.006 12.177 1.00 73.42 C ATOM 184 OG SER A 11 15.699 -23.270 11.264 1.00 53.13 O ATOM 0 H SER A 11 16.603 -21.119 10.606 1.00 71.44 H new ATOM 0 HA SER A 11 15.898 -21.465 13.378 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.732 -23.195 11.692 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.712 -23.678 13.033 1.00 73.42 H new ATOM 0 HG SER A 11 15.747 -24.201 10.963 1.00 53.13 H new ATOM 190 N VAL A 12 18.033 -20.943 14.569 1.00 44.50 N ATOM 191 CA VAL A 12 19.218 -20.451 15.233 1.00 65.33 C ATOM 192 C VAL A 12 19.685 -21.431 16.299 1.00 31.54 C ATOM 193 O VAL A 12 18.880 -21.902 17.120 1.00 45.10 O ATOM 194 CB VAL A 12 18.944 -19.066 15.849 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.117 -18.642 16.742 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.755 -18.029 14.737 1.00 44.14 C ATOM 0 H VAL A 12 17.241 -21.122 15.186 1.00 44.50 H new ATOM 0 HA VAL A 12 20.014 -20.352 14.495 1.00 65.33 H new ATOM 0 HB VAL A 12 18.037 -19.126 16.451 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.911 -17.662 17.172 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.246 -19.370 17.543 1.00 53.10 H new ATOM 0 HG13 VAL A 12 21.029 -18.593 16.146 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.562 -17.052 15.180 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.658 -17.979 14.128 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.911 -18.317 14.111 1.00 44.14 H new ATOM 206 N GLU A 13 20.984 -21.693 16.306 1.00 65.32 N ATOM 207 CA GLU A 13 21.616 -22.520 17.325 1.00 15.40 C ATOM 208 C GLU A 13 22.933 -21.901 17.739 1.00 23.23 C ATOM 209 O GLU A 13 23.734 -21.518 16.886 1.00 42.34 O ATOM 210 CB GLU A 13 21.888 -23.939 16.809 1.00 20.03 C ATOM 211 CG GLU A 13 20.574 -24.685 16.590 1.00 1.01 C ATOM 212 CD GLU A 13 20.862 -26.093 16.114 1.00 64.42 C ATOM 213 OE1 GLU A 13 21.663 -26.255 15.218 1.00 14.21 O ATOM 214 OE2 GLU A 13 20.275 -26.996 16.643 1.00 34.31 O ATOM 0 H GLU A 13 21.632 -21.337 15.603 1.00 65.32 H new ATOM 0 HA GLU A 13 20.933 -22.578 18.173 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.447 -23.892 15.875 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.507 -24.481 17.524 1.00 20.03 H new ATOM 0 HG2 GLU A 13 20.002 -24.714 17.517 1.00 1.01 H new ATOM 0 HG3 GLU A 13 19.964 -24.160 15.855 1.00 1.01 H new ATOM 221 N ASP A 14 23.216 -21.904 19.029 1.00 22.33 N ATOM 222 CA ASP A 14 24.520 -21.464 19.499 1.00 31.53 C ATOM 223 C ASP A 14 25.405 -22.672 19.760 1.00 2.03 C ATOM 224 O ASP A 14 24.979 -23.810 19.559 1.00 12.43 O ATOM 225 CB ASP A 14 24.421 -20.551 20.743 1.00 1.42 C ATOM 226 CG ASP A 14 24.613 -21.343 22.015 1.00 22.13 C ATOM 227 OD1 ASP A 14 23.899 -22.305 22.202 1.00 24.52 O ATOM 228 OD2 ASP A 14 25.469 -20.974 22.794 1.00 34.20 O ATOM 0 H ASP A 14 22.572 -22.201 19.762 1.00 22.33 H new ATOM 0 HA ASP A 14 24.974 -20.856 18.716 1.00 31.53 H new ATOM 0 HB2 ASP A 14 25.175 -19.766 20.683 1.00 1.42 H new ATOM 0 HB3 ASP A 14 23.449 -20.059 20.760 1.00 1.42 H new ATOM 233 N ALA A 15 26.620 -22.437 20.214 1.00 64.23 N ATOM 234 CA ALA A 15 27.541 -23.536 20.483 1.00 62.10 C ATOM 235 C ALA A 15 26.944 -24.481 21.500 1.00 0.30 C ATOM 236 O ALA A 15 27.038 -25.703 21.354 1.00 4.10 O ATOM 237 CB ALA A 15 28.876 -23.015 20.999 1.00 72.21 C ATOM 0 H ALA A 15 26.995 -21.508 20.404 1.00 64.23 H new ATOM 0 HA ALA A 15 27.711 -24.068 19.547 1.00 62.10 H new ATOM 0 HB1 ALA A 15 29.544 -23.854 21.192 1.00 72.21 H new ATOM 0 HB2 ALA A 15 29.324 -22.359 20.253 1.00 72.21 H new ATOM 0 HB3 ALA A 15 28.717 -22.458 21.923 1.00 72.21 H new ATOM 243 N GLN A 16 26.256 -23.913 22.479 1.00 3.31 N ATOM 244 CA GLN A 16 25.567 -24.699 23.488 1.00 70.51 C ATOM 245 C GLN A 16 24.319 -25.331 22.869 1.00 44.44 C ATOM 246 O GLN A 16 23.582 -26.080 23.530 1.00 43.52 O ATOM 247 CB GLN A 16 25.167 -23.818 24.671 1.00 25.04 C ATOM 248 CG GLN A 16 26.369 -22.988 25.155 1.00 60.51 C ATOM 249 CD GLN A 16 27.474 -23.888 25.690 1.00 52.33 C ATOM 250 OE1 GLN A 16 27.199 -24.861 26.394 1.00 42.31 O ATOM 251 NE2 GLN A 16 28.711 -23.614 25.421 1.00 32.13 N ATOM 0 H GLN A 16 26.161 -22.904 22.595 1.00 3.31 H new ATOM 0 HA GLN A 16 26.236 -25.480 23.849 1.00 70.51 H new ATOM 0 HB2 GLN A 16 24.353 -23.154 24.379 1.00 25.04 H new ATOM 0 HB3 GLN A 16 24.795 -24.439 25.486 1.00 25.04 H new ATOM 0 HG2 GLN A 16 26.753 -22.384 24.333 1.00 60.51 H new ATOM 0 HG3 GLN A 16 26.048 -22.297 25.935 1.00 60.51 H new ATOM 0 HE21 GLN A 16 28.940 -22.809 24.838 1.00 32.13 H new ATOM 0 HE22 GLN A 16 29.456 -24.203 25.792 1.00 32.13 H new ATOM 260 N MET A 17 24.078 -24.996 21.606 1.00 5.31 N ATOM 261 CA MET A 17 22.940 -25.490 20.849 1.00 12.12 C ATOM 262 C MET A 17 21.618 -24.925 21.363 1.00 54.32 C ATOM 263 O MET A 17 20.581 -25.600 21.307 1.00 30.13 O ATOM 264 CB MET A 17 22.920 -27.029 20.821 1.00 21.12 C ATOM 265 CG MET A 17 22.330 -27.528 19.496 1.00 2.23 C ATOM 266 SD MET A 17 23.558 -28.529 18.619 1.00 25.23 S ATOM 267 CE MET A 17 24.606 -27.170 18.045 1.00 74.04 C ATOM 0 H MET A 17 24.678 -24.365 21.075 1.00 5.31 H new ATOM 0 HA MET A 17 23.057 -25.136 19.825 1.00 12.12 H new ATOM 0 HB2 MET A 17 23.932 -27.415 20.945 1.00 21.12 H new ATOM 0 HB3 MET A 17 22.330 -27.407 21.656 1.00 21.12 H new ATOM 0 HG2 MET A 17 21.434 -28.119 19.686 1.00 2.23 H new ATOM 0 HG3 MET A 17 22.029 -26.681 18.879 1.00 2.23 H new ATOM 0 HE1 MET A 17 25.411 -27.567 17.426 1.00 74.04 H new ATOM 0 HE2 MET A 17 24.008 -26.472 17.459 1.00 74.04 H new ATOM 0 HE3 MET A 17 25.031 -26.651 18.904 1.00 74.04 H new ATOM 277 N HIS A 18 21.625 -23.646 21.729 1.00 43.51 N ATOM 278 CA HIS A 18 20.377 -22.976 22.089 1.00 22.43 C ATOM 279 C HIS A 18 19.499 -22.918 20.859 1.00 34.12 C ATOM 280 O HIS A 18 19.752 -22.125 19.955 1.00 31.44 O ATOM 281 CB HIS A 18 20.639 -21.536 22.557 1.00 70.50 C ATOM 282 CG HIS A 18 21.208 -21.525 23.943 1.00 40.41 C ATOM 283 ND1 HIS A 18 22.540 -21.774 24.186 1.00 0.13 N ATOM 284 CD2 HIS A 18 20.641 -21.265 25.165 1.00 21.11 C ATOM 285 CE1 HIS A 18 22.739 -21.659 25.514 1.00 21.41 C ATOM 286 NE2 HIS A 18 21.611 -21.348 26.156 1.00 74.45 N ATOM 0 H HIS A 18 22.460 -23.063 21.784 1.00 43.51 H new ATOM 0 HA HIS A 18 19.901 -23.530 22.898 1.00 22.43 H new ATOM 0 HB2 HIS A 18 21.330 -21.045 21.871 1.00 70.50 H new ATOM 0 HB3 HIS A 18 19.710 -20.967 22.535 1.00 70.50 H new ATOM 0 HD1 HIS A 18 23.247 -22.004 23.488 1.00 0.13 H new ATOM 0 HD2 HIS A 18 19.600 -21.031 25.331 1.00 21.11 H new ATOM 0 HE1 HIS A 18 23.694 -21.801 25.999 1.00 21.41 H new ATOM 295 N THR A 19 18.492 -23.764 20.809 1.00 71.41 N ATOM 296 CA THR A 19 17.623 -23.800 19.655 1.00 41.11 C ATOM 297 C THR A 19 16.647 -22.627 19.711 1.00 2.13 C ATOM 298 O THR A 19 15.777 -22.573 20.593 1.00 64.45 O ATOM 299 CB THR A 19 16.858 -25.137 19.629 1.00 2.14 C ATOM 300 OG1 THR A 19 17.756 -26.213 19.933 1.00 11.24 O ATOM 301 CG2 THR A 19 16.255 -25.360 18.241 1.00 20.53 C ATOM 0 H THR A 19 18.257 -24.429 21.546 1.00 71.41 H new ATOM 0 HA THR A 19 18.217 -23.717 18.745 1.00 41.11 H new ATOM 0 HB THR A 19 16.061 -25.106 20.372 1.00 2.14 H new ATOM 0 HG1 THR A 19 17.267 -27.062 19.917 1.00 11.24 H new ATOM 0 HG21 THR A 19 15.715 -26.307 18.227 1.00 20.53 H new ATOM 0 HG22 THR A 19 15.568 -24.547 18.008 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.052 -25.386 17.498 1.00 20.53 H new ATOM 309 N VAL A 20 16.799 -21.693 18.784 1.00 62.44 N ATOM 310 CA VAL A 20 15.924 -20.528 18.697 1.00 2.05 C ATOM 311 C VAL A 20 15.586 -20.213 17.239 1.00 1.51 C ATOM 312 O VAL A 20 16.278 -20.665 16.322 1.00 15.42 O ATOM 313 CB VAL A 20 16.550 -19.307 19.404 1.00 22.23 C ATOM 314 CG1 VAL A 20 16.341 -19.428 20.920 1.00 41.33 C ATOM 315 CG2 VAL A 20 18.056 -19.251 19.118 1.00 52.53 C ATOM 0 H VAL A 20 17.529 -21.719 18.072 1.00 62.44 H new ATOM 0 HA VAL A 20 14.994 -20.764 19.214 1.00 2.05 H new ATOM 0 HB VAL A 20 16.072 -18.401 19.031 1.00 22.23 H new ATOM 0 HG11 VAL A 20 16.783 -18.565 21.418 1.00 41.33 H new ATOM 0 HG12 VAL A 20 15.274 -19.465 21.138 1.00 41.33 H new ATOM 0 HG13 VAL A 20 16.817 -20.339 21.281 1.00 41.33 H new ATOM 0 HG21 VAL A 20 18.490 -18.387 19.621 1.00 52.53 H new ATOM 0 HG22 VAL A 20 18.530 -20.161 19.486 1.00 52.53 H new ATOM 0 HG23 VAL A 20 18.219 -19.166 18.044 1.00 52.53 H new ATOM 325 N THR A 21 14.532 -19.448 17.029 1.00 63.53 N ATOM 326 CA THR A 21 14.098 -19.079 15.689 1.00 44.25 C ATOM 327 C THR A 21 13.971 -17.559 15.580 1.00 12.41 C ATOM 328 O THR A 21 13.462 -16.903 16.501 1.00 11.33 O ATOM 329 CB THR A 21 12.752 -19.754 15.380 1.00 65.22 C ATOM 330 OG1 THR A 21 12.858 -21.147 15.673 1.00 25.54 O ATOM 331 CG2 THR A 21 12.403 -19.578 13.895 1.00 10.42 C ATOM 0 H THR A 21 13.953 -19.065 17.776 1.00 63.53 H new ATOM 0 HA THR A 21 14.838 -19.417 14.963 1.00 44.25 H new ATOM 0 HB THR A 21 11.970 -19.297 15.987 1.00 65.22 H new ATOM 0 HG1 THR A 21 12.004 -21.588 15.481 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.448 -20.060 13.686 1.00 10.42 H new ATOM 0 HG22 THR A 21 12.333 -18.516 13.661 1.00 10.42 H new ATOM 0 HG23 THR A 21 13.181 -20.034 13.282 1.00 10.42 H new ATOM 339 N ILE A 22 14.442 -16.996 14.478 1.00 41.12 N ATOM 340 CA ILE A 22 14.357 -15.556 14.269 1.00 63.41 C ATOM 341 C ILE A 22 13.635 -15.264 12.965 1.00 15.43 C ATOM 342 O ILE A 22 13.619 -16.106 12.054 1.00 50.41 O ATOM 343 CB ILE A 22 15.753 -14.928 14.255 1.00 35.34 C ATOM 344 CG1 ILE A 22 16.575 -15.511 13.105 1.00 65.05 C ATOM 345 CG2 ILE A 22 16.467 -15.194 15.586 1.00 31.40 C ATOM 346 CD1 ILE A 22 17.909 -14.770 13.001 1.00 75.44 C ATOM 0 H ILE A 22 14.885 -17.510 13.717 1.00 41.12 H new ATOM 0 HA ILE A 22 13.794 -15.118 15.093 1.00 63.41 H new ATOM 0 HB ILE A 22 15.651 -13.852 14.116 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.750 -16.574 13.272 1.00 65.05 H new ATOM 0 HG13 ILE A 22 16.024 -15.422 12.169 1.00 65.05 H new ATOM 0 HG21 ILE A 22 17.459 -14.742 15.563 1.00 31.40 H new ATOM 0 HG22 ILE A 22 15.889 -14.760 16.402 1.00 31.40 H new ATOM 0 HG23 ILE A 22 16.561 -16.269 15.740 1.00 31.40 H new ATOM 0 HD11 ILE A 22 18.494 -15.187 12.181 1.00 75.44 H new ATOM 0 HD12 ILE A 22 17.724 -13.712 12.814 1.00 75.44 H new ATOM 0 HD13 ILE A 22 18.461 -14.882 13.934 1.00 75.44 H new ATOM 358 N TRP A 23 13.008 -14.097 12.890 1.00 51.20 N ATOM 359 CA TRP A 23 12.227 -13.723 11.719 1.00 45.54 C ATOM 360 C TRP A 23 12.762 -12.443 11.106 1.00 3.15 C ATOM 361 O TRP A 23 12.818 -11.409 11.781 1.00 71.12 O ATOM 362 CB TRP A 23 10.765 -13.492 12.121 1.00 14.21 C ATOM 363 CG TRP A 23 10.297 -14.598 13.014 1.00 32.22 C ATOM 364 CD1 TRP A 23 10.436 -14.616 14.359 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.619 -15.833 12.658 1.00 53.12 C ATOM 366 NE1 TRP A 23 9.882 -15.785 14.849 1.00 24.00 N ATOM 367 CE2 TRP A 23 9.368 -16.568 13.839 1.00 64.15 C ATOM 368 CE3 TRP A 23 9.202 -16.381 11.438 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.724 -17.804 13.808 1.00 24.32 C ATOM 370 CZ3 TRP A 23 8.554 -17.625 11.400 1.00 74.51 C ATOM 371 CH2 TRP A 23 8.316 -18.334 12.583 1.00 12.23 C ATOM 0 H TRP A 23 13.025 -13.393 13.628 1.00 51.20 H new ATOM 0 HA TRP A 23 12.297 -14.533 10.993 1.00 45.54 H new ATOM 0 HB2 TRP A 23 10.667 -12.535 12.633 1.00 14.21 H new ATOM 0 HB3 TRP A 23 10.138 -13.443 11.231 1.00 14.21 H new ATOM 0 HD1 TRP A 23 10.903 -13.844 14.953 1.00 44.21 H new ATOM 0 HE1 TRP A 23 9.857 -16.036 15.837 1.00 24.00 H new ATOM 0 HE3 TRP A 23 9.381 -15.842 10.519 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.542 -18.347 14.724 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 8.237 -18.037 10.453 1.00 74.51 H new ATOM 0 HH2 TRP A 23 7.817 -19.291 12.548 1.00 12.23 H new ATOM 382 N LEU A 24 13.013 -12.468 9.810 1.00 44.10 N ATOM 383 CA LEU A 24 13.397 -11.265 9.084 1.00 40.20 C ATOM 384 C LEU A 24 12.356 -10.941 8.021 1.00 52.40 C ATOM 385 O LEU A 24 12.099 -11.759 7.136 1.00 21.24 O ATOM 386 CB LEU A 24 14.766 -11.437 8.388 1.00 70.54 C ATOM 387 CG LEU A 24 15.901 -11.719 9.398 1.00 40.03 C ATOM 388 CD1 LEU A 24 15.772 -10.833 10.635 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.885 -13.192 9.812 1.00 21.54 C ATOM 0 H LEU A 24 12.958 -13.309 9.235 1.00 44.10 H new ATOM 0 HA LEU A 24 13.466 -10.455 9.811 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.707 -12.256 7.671 1.00 70.54 H new ATOM 0 HB3 LEU A 24 15.000 -10.535 7.823 1.00 70.54 H new ATOM 0 HG LEU A 24 16.849 -11.491 8.910 1.00 40.03 H new ATOM 0 HD11 LEU A 24 16.584 -11.054 11.327 1.00 42.21 H new ATOM 0 HD12 LEU A 24 15.823 -9.785 10.339 1.00 42.21 H new ATOM 0 HD13 LEU A 24 14.817 -11.026 11.123 1.00 42.21 H new ATOM 0 HD21 LEU A 24 16.689 -13.379 10.524 1.00 21.54 H new ATOM 0 HD22 LEU A 24 14.928 -13.429 10.276 1.00 21.54 H new ATOM 0 HD23 LEU A 24 16.027 -13.819 8.932 1.00 21.54 H new ATOM 401 N THR A 25 11.890 -9.706 8.003 1.00 32.11 N ATOM 402 CA THR A 25 11.049 -9.246 6.912 1.00 20.03 C ATOM 403 C THR A 25 11.936 -8.459 5.964 1.00 15.11 C ATOM 404 O THR A 25 12.573 -7.482 6.379 1.00 30.42 O ATOM 405 CB THR A 25 9.925 -8.348 7.447 1.00 11.33 C ATOM 406 OG1 THR A 25 9.326 -8.969 8.588 1.00 74.12 O ATOM 407 CG2 THR A 25 8.859 -8.155 6.360 1.00 51.01 C ATOM 0 H THR A 25 12.077 -9.009 8.724 1.00 32.11 H new ATOM 0 HA THR A 25 10.586 -10.091 6.402 1.00 20.03 H new ATOM 0 HB THR A 25 10.338 -7.379 7.728 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.609 -8.397 8.933 1.00 74.12 H new ATOM 0 HG21 THR A 25 8.062 -7.517 6.742 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.311 -7.687 5.486 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.446 -9.124 6.080 1.00 51.01 H new ATOM 415 N VAL A 26 12.093 -8.952 4.749 1.00 24.42 N ATOM 416 CA VAL A 26 13.048 -8.365 3.822 1.00 0.53 C ATOM 417 C VAL A 26 12.567 -8.455 2.386 1.00 14.44 C ATOM 418 O VAL A 26 11.449 -8.885 2.121 1.00 61.52 O ATOM 419 CB VAL A 26 14.416 -9.063 3.963 1.00 60.45 C ATOM 420 CG1 VAL A 26 14.975 -8.842 5.369 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.263 -10.570 3.724 1.00 64.00 C ATOM 0 H VAL A 26 11.577 -9.751 4.381 1.00 24.42 H new ATOM 0 HA VAL A 26 13.148 -7.309 4.073 1.00 0.53 H new ATOM 0 HB VAL A 26 15.098 -8.640 3.225 1.00 60.45 H new ATOM 0 HG11 VAL A 26 15.941 -9.339 5.459 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.098 -7.774 5.548 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.285 -9.256 6.104 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.234 -11.055 3.826 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.571 -10.986 4.456 1.00 64.00 H new ATOM 0 HG23 VAL A 26 13.875 -10.742 2.720 1.00 64.00 H new ATOM 431 N ARG A 27 13.465 -8.137 1.470 1.00 33.21 N ATOM 432 CA ARG A 27 13.231 -8.305 0.045 1.00 4.21 C ATOM 433 C ARG A 27 14.330 -9.191 -0.516 1.00 3.32 C ATOM 434 O ARG A 27 15.450 -9.162 -0.023 1.00 72.11 O ATOM 435 CB ARG A 27 13.249 -6.945 -0.676 1.00 30.33 C ATOM 436 CG ARG A 27 14.476 -6.120 -0.239 1.00 13.41 C ATOM 437 CD ARG A 27 14.043 -4.962 0.674 1.00 0.42 C ATOM 438 NE ARG A 27 12.898 -4.254 0.100 1.00 5.44 N ATOM 439 CZ ARG A 27 11.656 -4.419 0.561 1.00 52.45 C ATOM 440 NH1 ARG A 27 11.433 -5.230 1.551 1.00 55.30 N ATOM 441 NH2 ARG A 27 10.667 -3.773 0.023 1.00 23.52 N ATOM 0 H ARG A 27 14.383 -7.753 1.695 1.00 33.21 H new ATOM 0 HA ARG A 27 12.252 -8.759 -0.111 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.272 -7.099 -1.755 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.335 -6.395 -0.452 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.185 -6.760 0.286 1.00 13.41 H new ATOM 0 HG3 ARG A 27 14.990 -5.728 -1.116 1.00 13.41 H new ATOM 0 HD2 ARG A 27 13.782 -5.347 1.660 1.00 0.42 H new ATOM 0 HD3 ARG A 27 14.874 -4.270 0.811 1.00 0.42 H new ATOM 0 HE ARG A 27 13.054 -3.613 -0.678 1.00 5.44 H new ATOM 0 HH11 ARG A 27 12.207 -5.741 1.976 1.00 55.30 H new ATOM 0 HH12 ARG A 27 10.484 -5.356 1.903 1.00 55.30 H new ATOM 0 HH21 ARG A 27 10.837 -3.136 -0.755 1.00 23.52 H new ATOM 0 HH22 ARG A 27 9.720 -3.902 0.379 1.00 23.52 H new ATOM 455 N PRO A 28 14.072 -9.924 -1.559 1.00 70.42 N ATOM 456 CA PRO A 28 15.105 -10.814 -2.171 1.00 2.44 C ATOM 457 C PRO A 28 16.361 -10.013 -2.562 1.00 10.52 C ATOM 458 O PRO A 28 17.472 -10.550 -2.633 1.00 73.22 O ATOM 459 CB PRO A 28 14.409 -11.377 -3.403 1.00 63.31 C ATOM 460 CG PRO A 28 12.950 -11.268 -3.111 1.00 53.01 C ATOM 461 CD PRO A 28 12.786 -10.002 -2.272 1.00 50.41 C ATOM 0 HA PRO A 28 15.452 -11.591 -1.490 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.675 -10.814 -4.298 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.699 -12.413 -3.581 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.371 -11.204 -4.032 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.593 -12.144 -2.570 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.612 -9.123 -2.893 1.00 50.41 H new ATOM 0 HD3 PRO A 28 11.944 -10.077 -1.584 1.00 50.41 H new ATOM 469 N ASP A 29 16.175 -8.724 -2.774 1.00 21.24 N ATOM 470 CA ASP A 29 17.270 -7.819 -3.066 1.00 42.34 C ATOM 471 C ASP A 29 18.168 -7.616 -1.858 1.00 22.22 C ATOM 472 O ASP A 29 19.265 -7.073 -1.988 1.00 73.13 O ATOM 473 CB ASP A 29 16.767 -6.478 -3.610 1.00 0.01 C ATOM 474 CG ASP A 29 16.318 -6.607 -5.055 1.00 62.22 C ATOM 475 OD1 ASP A 29 16.745 -7.535 -5.715 1.00 21.43 O ATOM 476 OD2 ASP A 29 15.587 -5.754 -5.496 1.00 43.24 O ATOM 0 H ASP A 29 15.260 -8.275 -2.749 1.00 21.24 H new ATOM 0 HA ASP A 29 17.869 -8.288 -3.847 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.938 -6.122 -2.999 1.00 0.01 H new ATOM 0 HB3 ASP A 29 17.559 -5.733 -3.537 1.00 0.01 H new ATOM 481 N MET A 30 17.700 -8.021 -0.685 1.00 31.25 N ATOM 482 CA MET A 30 18.516 -7.914 0.523 1.00 25.12 C ATOM 483 C MET A 30 19.752 -8.789 0.395 1.00 64.13 C ATOM 484 O MET A 30 19.824 -9.645 -0.489 1.00 62.13 O ATOM 485 CB MET A 30 17.714 -8.305 1.770 1.00 2.42 C ATOM 486 CG MET A 30 17.251 -7.044 2.500 1.00 11.34 C ATOM 487 SD MET A 30 18.666 -6.314 3.349 1.00 52.43 S ATOM 488 CE MET A 30 18.741 -7.517 4.702 1.00 61.23 C ATOM 0 H MET A 30 16.773 -8.422 -0.542 1.00 31.25 H new ATOM 0 HA MET A 30 18.824 -6.874 0.635 1.00 25.12 H new ATOM 0 HB2 MET A 30 16.853 -8.909 1.486 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.327 -8.916 2.432 1.00 2.42 H new ATOM 0 HG2 MET A 30 16.827 -6.332 1.792 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.466 -7.288 3.216 1.00 11.34 H new ATOM 0 HE1 MET A 30 19.136 -7.035 5.596 1.00 61.23 H new ATOM 0 HE2 MET A 30 17.740 -7.897 4.907 1.00 61.23 H new ATOM 0 HE3 MET A 30 19.392 -8.344 4.418 1.00 61.23 H new ATOM 498 N THR A 31 20.721 -8.567 1.259 1.00 12.23 N ATOM 499 CA THR A 31 21.960 -9.320 1.227 1.00 31.41 C ATOM 500 C THR A 31 22.264 -9.896 2.611 1.00 44.04 C ATOM 501 O THR A 31 21.713 -9.433 3.624 1.00 12.01 O ATOM 502 CB THR A 31 23.113 -8.422 0.694 1.00 25.42 C ATOM 503 OG1 THR A 31 24.091 -9.205 0.019 1.00 20.13 O ATOM 504 CG2 THR A 31 23.781 -7.653 1.832 1.00 40.23 C ATOM 0 H THR A 31 20.674 -7.866 1.998 1.00 12.23 H new ATOM 0 HA THR A 31 21.860 -10.163 0.543 1.00 31.41 H new ATOM 0 HB THR A 31 22.676 -7.710 -0.006 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.066 -10.124 0.359 1.00 20.13 H new ATOM 0 HG21 THR A 31 24.583 -7.034 1.431 1.00 40.23 H new ATOM 0 HG22 THR A 31 23.044 -7.018 2.324 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.193 -8.357 2.554 1.00 40.23 H new ATOM 512 N VAL A 32 23.092 -10.926 2.648 1.00 60.15 N ATOM 513 CA VAL A 32 23.405 -11.604 3.893 1.00 10.31 C ATOM 514 C VAL A 32 24.065 -10.647 4.882 1.00 54.12 C ATOM 515 O VAL A 32 23.683 -10.594 6.055 1.00 54.33 O ATOM 516 CB VAL A 32 24.292 -12.826 3.628 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.728 -13.472 4.950 1.00 71.12 C ATOM 518 CG2 VAL A 32 23.519 -13.849 2.785 1.00 24.05 C ATOM 0 H VAL A 32 23.560 -11.311 1.828 1.00 60.15 H new ATOM 0 HA VAL A 32 22.474 -11.952 4.341 1.00 10.31 H new ATOM 0 HB VAL A 32 25.182 -12.502 3.088 1.00 44.23 H new ATOM 0 HG11 VAL A 32 25.357 -14.338 4.742 1.00 71.12 H new ATOM 0 HG12 VAL A 32 25.290 -12.749 5.540 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.847 -13.789 5.508 1.00 71.12 H new ATOM 0 HG21 VAL A 32 24.151 -14.717 2.597 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.624 -14.161 3.322 1.00 24.05 H new ATOM 0 HG23 VAL A 32 23.233 -13.396 1.836 1.00 24.05 H new ATOM 528 N ALA A 33 25.015 -9.848 4.404 1.00 53.45 N ATOM 529 CA ALA A 33 25.667 -8.876 5.279 1.00 55.04 C ATOM 530 C ALA A 33 24.611 -8.027 5.961 1.00 52.23 C ATOM 531 O ALA A 33 24.650 -7.811 7.172 1.00 54.14 O ATOM 532 CB ALA A 33 26.615 -7.969 4.486 1.00 50.32 C ATOM 0 H ALA A 33 25.345 -9.851 3.439 1.00 53.45 H new ATOM 0 HA ALA A 33 26.251 -9.418 6.022 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.086 -7.256 5.162 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.383 -8.576 4.006 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.051 -7.430 3.725 1.00 50.32 H new ATOM 538 N SER A 34 23.653 -7.579 5.184 1.00 20.42 N ATOM 539 CA SER A 34 22.567 -6.803 5.723 1.00 42.23 C ATOM 540 C SER A 34 21.770 -7.631 6.726 1.00 51.41 C ATOM 541 O SER A 34 21.474 -7.158 7.821 1.00 74.05 O ATOM 542 CB SER A 34 21.674 -6.297 4.597 1.00 22.13 C ATOM 543 OG SER A 34 22.491 -5.639 3.632 1.00 22.31 O ATOM 0 H SER A 34 23.606 -7.740 4.178 1.00 20.42 H new ATOM 0 HA SER A 34 22.975 -5.939 6.248 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.138 -7.127 4.137 1.00 22.13 H new ATOM 0 HB3 SER A 34 20.923 -5.611 4.989 1.00 22.13 H new ATOM 0 HG SER A 34 21.957 -5.436 2.835 1.00 22.31 H new ATOM 549 N LEU A 35 21.515 -8.899 6.394 1.00 42.51 N ATOM 550 CA LEU A 35 20.811 -9.796 7.315 1.00 60.21 C ATOM 551 C LEU A 35 21.604 -9.968 8.584 1.00 12.50 C ATOM 552 O LEU A 35 21.054 -9.917 9.689 1.00 51.11 O ATOM 553 CB LEU A 35 20.580 -11.172 6.690 1.00 20.44 C ATOM 554 CG LEU A 35 19.420 -11.112 5.702 1.00 63.51 C ATOM 555 CD1 LEU A 35 19.252 -12.476 5.042 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.138 -10.743 6.445 1.00 72.44 C ATOM 0 H LEU A 35 21.781 -9.324 5.506 1.00 42.51 H new ATOM 0 HA LEU A 35 19.845 -9.342 7.535 1.00 60.21 H new ATOM 0 HB2 LEU A 35 21.484 -11.505 6.181 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.366 -11.903 7.470 1.00 20.44 H new ATOM 0 HG LEU A 35 19.625 -10.360 4.940 1.00 63.51 H new ATOM 0 HD11 LEU A 35 18.424 -12.438 4.335 1.00 4.13 H new ATOM 0 HD12 LEU A 35 20.168 -12.740 4.514 1.00 4.13 H new ATOM 0 HD13 LEU A 35 19.044 -13.226 5.805 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.308 -10.700 5.740 1.00 72.44 H new ATOM 0 HD22 LEU A 35 17.929 -11.495 7.206 1.00 72.44 H new ATOM 0 HD23 LEU A 35 18.261 -9.770 6.921 1.00 72.44 H new ATOM 568 N LYS A 36 22.900 -10.117 8.423 1.00 34.21 N ATOM 569 CA LYS A 36 23.792 -10.270 9.539 1.00 44.21 C ATOM 570 C LYS A 36 23.618 -9.077 10.460 1.00 31.00 C ATOM 571 O LYS A 36 23.507 -9.221 11.682 1.00 33.33 O ATOM 572 CB LYS A 36 25.215 -10.269 8.985 1.00 43.15 C ATOM 573 CG LYS A 36 26.240 -10.545 10.081 1.00 4.03 C ATOM 574 CD LYS A 36 27.542 -9.805 9.735 1.00 65.42 C ATOM 575 CE LYS A 36 28.140 -10.308 8.403 1.00 65.21 C ATOM 576 NZ LYS A 36 27.905 -11.763 8.239 1.00 35.45 N ATOM 0 H LYS A 36 23.360 -10.135 7.513 1.00 34.21 H new ATOM 0 HA LYS A 36 23.590 -11.190 10.087 1.00 44.21 H new ATOM 0 HB2 LYS A 36 25.303 -11.024 8.204 1.00 43.15 H new ATOM 0 HB3 LYS A 36 25.426 -9.305 8.522 1.00 43.15 H new ATOM 0 HG2 LYS A 36 25.860 -10.211 11.046 1.00 4.03 H new ATOM 0 HG3 LYS A 36 26.425 -11.616 10.165 1.00 4.03 H new ATOM 0 HD2 LYS A 36 27.347 -8.735 9.667 1.00 65.42 H new ATOM 0 HD3 LYS A 36 28.267 -9.946 10.537 1.00 65.42 H new ATOM 0 HE2 LYS A 36 27.692 -9.766 7.570 1.00 65.21 H new ATOM 0 HE3 LYS A 36 29.210 -10.102 8.378 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 28.543 -12.137 7.508 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 28.089 -12.248 9.140 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 26.918 -11.925 7.954 1.00 35.45 H new ATOM 590 N ASP A 37 23.602 -7.901 9.863 1.00 21.40 N ATOM 591 CA ASP A 37 23.463 -6.675 10.613 1.00 31.33 C ATOM 592 C ASP A 37 22.115 -6.592 11.332 1.00 3.04 C ATOM 593 O ASP A 37 22.065 -6.351 12.538 1.00 73.14 O ATOM 594 CB ASP A 37 23.636 -5.470 9.683 1.00 1.34 C ATOM 595 CG ASP A 37 23.686 -4.190 10.482 1.00 74.31 C ATOM 596 OD1 ASP A 37 24.634 -4.009 11.217 1.00 52.50 O ATOM 597 OD2 ASP A 37 22.795 -3.390 10.330 1.00 11.04 O ATOM 0 H ASP A 37 23.684 -7.772 8.855 1.00 21.40 H new ATOM 0 HA ASP A 37 24.243 -6.665 11.375 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.552 -5.580 9.102 1.00 1.34 H new ATOM 0 HB3 ASP A 37 22.811 -5.430 8.972 1.00 1.34 H new ATOM 602 N MET A 38 21.012 -6.802 10.596 1.00 34.44 N ATOM 603 CA MET A 38 19.679 -6.647 11.208 1.00 41.13 C ATOM 604 C MET A 38 19.484 -7.625 12.329 1.00 34.34 C ATOM 605 O MET A 38 18.918 -7.284 13.356 1.00 71.22 O ATOM 606 CB MET A 38 18.518 -6.800 10.222 1.00 41.21 C ATOM 607 CG MET A 38 19.008 -6.873 8.792 1.00 23.15 C ATOM 608 SD MET A 38 17.582 -7.011 7.685 1.00 32.15 S ATOM 609 CE MET A 38 16.917 -8.566 8.349 1.00 74.35 C ATOM 0 H MET A 38 21.010 -7.070 9.612 1.00 34.44 H new ATOM 0 HA MET A 38 19.661 -5.623 11.581 1.00 41.13 H new ATOM 0 HB2 MET A 38 17.954 -7.702 10.460 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.834 -5.958 10.330 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.589 -5.984 8.548 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.668 -7.731 8.664 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.515 -9.167 7.534 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.713 -9.118 8.849 1.00 74.35 H new ATOM 0 HE3 MET A 38 16.123 -8.347 9.063 1.00 74.35 H new ATOM 619 N VAL A 39 19.946 -8.845 12.138 1.00 14.41 N ATOM 620 CA VAL A 39 19.780 -9.849 13.167 1.00 25.32 C ATOM 621 C VAL A 39 20.411 -9.340 14.444 1.00 51.44 C ATOM 622 O VAL A 39 19.787 -9.380 15.512 1.00 21.33 O ATOM 623 CB VAL A 39 20.378 -11.203 12.735 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.452 -12.170 13.933 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.490 -11.823 11.650 1.00 65.31 C ATOM 0 H VAL A 39 20.430 -9.160 11.297 1.00 14.41 H new ATOM 0 HA VAL A 39 18.718 -10.025 13.337 1.00 25.32 H new ATOM 0 HB VAL A 39 21.385 -11.035 12.352 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.877 -13.120 13.608 1.00 41.14 H new ATOM 0 HG12 VAL A 39 21.082 -11.738 14.711 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.450 -12.337 14.328 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.908 -12.781 11.341 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.486 -11.976 12.045 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.443 -11.153 10.791 1.00 65.31 H new ATOM 635 N PHE A 40 21.575 -8.735 14.321 1.00 3.12 N ATOM 636 CA PHE A 40 22.170 -8.088 15.459 1.00 33.42 C ATOM 637 C PHE A 40 21.268 -6.978 15.964 1.00 2.10 C ATOM 638 O PHE A 40 21.045 -6.851 17.165 1.00 42.22 O ATOM 639 CB PHE A 40 23.550 -7.518 15.130 1.00 31.43 C ATOM 640 CG PHE A 40 24.016 -6.696 16.308 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.322 -7.322 17.521 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.108 -5.305 16.198 1.00 43.21 C ATOM 643 CE1 PHE A 40 24.728 -6.562 18.617 1.00 61.34 C ATOM 644 CE2 PHE A 40 24.512 -4.543 17.299 1.00 33.14 C ATOM 645 CZ PHE A 40 24.822 -5.172 18.506 1.00 34.32 C ATOM 0 H PHE A 40 22.116 -8.681 13.458 1.00 3.12 H new ATOM 0 HA PHE A 40 22.292 -8.843 16.236 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.255 -8.324 14.927 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.502 -6.902 14.232 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.244 -8.396 17.609 1.00 13.01 H new ATOM 0 HD2 PHE A 40 23.867 -4.820 15.264 1.00 43.21 H new ATOM 0 HE1 PHE A 40 24.970 -7.047 19.551 1.00 61.34 H new ATOM 0 HE2 PHE A 40 24.584 -3.469 17.215 1.00 33.14 H new ATOM 0 HZ PHE A 40 25.135 -4.583 19.356 1.00 34.32 H new ATOM 655 N LEU A 41 20.779 -6.149 15.054 1.00 22.50 N ATOM 656 CA LEU A 41 19.949 -5.017 15.462 1.00 60.20 C ATOM 657 C LEU A 41 18.701 -5.542 16.120 1.00 62.30 C ATOM 658 O LEU A 41 18.209 -4.990 17.105 1.00 2.04 O ATOM 659 CB LEU A 41 19.485 -4.230 14.226 1.00 64.43 C ATOM 660 CG LEU A 41 20.678 -3.699 13.444 1.00 14.35 C ATOM 661 CD1 LEU A 41 20.191 -2.940 12.210 1.00 15.13 C ATOM 662 CD2 LEU A 41 21.539 -2.801 14.316 1.00 2.24 C ATOM 0 H LEU A 41 20.935 -6.231 14.049 1.00 22.50 H new ATOM 0 HA LEU A 41 20.532 -4.384 16.131 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.882 -4.873 13.585 1.00 64.43 H new ATOM 0 HB3 LEU A 41 18.849 -3.401 14.535 1.00 64.43 H new ATOM 0 HG LEU A 41 21.290 -4.543 13.124 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.049 -2.562 11.654 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.613 -3.611 11.574 1.00 15.13 H new ATOM 0 HD13 LEU A 41 19.563 -2.105 12.521 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.385 -2.433 13.736 1.00 2.24 H new ATOM 0 HD22 LEU A 41 20.945 -1.957 14.667 1.00 2.24 H new ATOM 0 HD23 LEU A 41 21.905 -3.368 15.172 1.00 2.24 H new ATOM 674 N ASP A 42 18.137 -6.540 15.484 1.00 3.40 N ATOM 675 CA ASP A 42 16.858 -7.095 15.889 1.00 20.53 C ATOM 676 C ASP A 42 16.976 -7.979 17.125 1.00 55.41 C ATOM 677 O ASP A 42 16.129 -7.913 18.023 1.00 3.34 O ATOM 678 CB ASP A 42 16.229 -7.885 14.721 1.00 22.22 C ATOM 679 CG ASP A 42 14.712 -7.791 14.745 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.201 -6.716 15.005 1.00 75.41 O ATOM 681 OD2 ASP A 42 14.072 -8.784 14.482 1.00 72.43 O ATOM 0 H ASP A 42 18.549 -6.995 14.669 1.00 3.40 H new ATOM 0 HA ASP A 42 16.209 -6.260 16.153 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.605 -7.498 13.774 1.00 22.22 H new ATOM 0 HB3 ASP A 42 16.532 -8.930 14.781 1.00 22.22 H new ATOM 686 N TYR A 43 17.960 -8.880 17.121 1.00 32.23 N ATOM 687 CA TYR A 43 18.084 -9.866 18.199 1.00 3.43 C ATOM 688 C TYR A 43 19.319 -9.644 19.068 1.00 54.44 C ATOM 689 O TYR A 43 19.519 -10.352 20.052 1.00 52.22 O ATOM 690 CB TYR A 43 18.121 -11.277 17.610 1.00 12.45 C ATOM 691 CG TYR A 43 16.889 -11.509 16.769 1.00 32.24 C ATOM 692 CD1 TYR A 43 15.677 -11.877 17.370 1.00 32.13 C ATOM 693 CD2 TYR A 43 16.961 -11.357 15.383 1.00 13.44 C ATOM 694 CE1 TYR A 43 14.543 -12.089 16.578 1.00 60.33 C ATOM 695 CE2 TYR A 43 15.833 -11.567 14.593 1.00 50.22 C ATOM 696 CZ TYR A 43 14.620 -11.934 15.190 1.00 33.42 C ATOM 697 OH TYR A 43 13.504 -12.150 14.410 1.00 11.32 O ATOM 0 H TYR A 43 18.674 -8.949 16.395 1.00 32.23 H new ATOM 0 HA TYR A 43 17.212 -9.744 18.841 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.017 -11.405 17.003 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.171 -12.015 18.411 1.00 12.45 H new ATOM 0 HD1 TYR A 43 15.619 -11.997 18.442 1.00 32.13 H new ATOM 0 HD2 TYR A 43 17.896 -11.075 14.921 1.00 13.44 H new ATOM 0 HE1 TYR A 43 13.608 -12.372 17.039 1.00 60.33 H new ATOM 0 HE2 TYR A 43 15.894 -11.447 13.521 1.00 50.22 H new ATOM 0 HH TYR A 43 13.629 -11.725 13.536 1.00 11.32 H new ATOM 707 N GLY A 44 20.164 -8.698 18.701 1.00 13.32 N ATOM 708 CA GLY A 44 21.374 -8.437 19.479 1.00 51.52 C ATOM 709 C GLY A 44 22.371 -9.582 19.350 1.00 41.34 C ATOM 710 O GLY A 44 23.263 -9.734 20.182 1.00 41.15 O ATOM 0 H GLY A 44 20.043 -8.102 17.882 1.00 13.32 H new ATOM 0 HA2 GLY A 44 21.835 -7.510 19.139 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.112 -8.296 20.528 1.00 51.52 H new ATOM 714 N PHE A 45 22.215 -10.394 18.313 1.00 73.22 N ATOM 715 CA PHE A 45 23.115 -11.527 18.098 1.00 0.40 C ATOM 716 C PHE A 45 24.474 -11.027 17.623 1.00 12.32 C ATOM 717 O PHE A 45 24.559 -10.378 16.581 1.00 44.25 O ATOM 718 CB PHE A 45 22.535 -12.489 17.046 1.00 13.01 C ATOM 719 CG PHE A 45 21.308 -13.225 17.578 1.00 55.55 C ATOM 720 CD1 PHE A 45 20.752 -12.901 18.829 1.00 31.22 C ATOM 721 CD2 PHE A 45 20.728 -14.241 16.803 1.00 43.54 C ATOM 722 CE1 PHE A 45 19.627 -13.590 19.292 1.00 2.11 C ATOM 723 CE2 PHE A 45 19.604 -14.925 17.274 1.00 74.25 C ATOM 724 CZ PHE A 45 19.053 -14.600 18.517 1.00 11.12 C ATOM 0 H PHE A 45 21.482 -10.294 17.611 1.00 73.22 H new ATOM 0 HA PHE A 45 23.227 -12.059 19.043 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.265 -11.930 16.150 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.296 -13.212 16.754 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.194 -12.121 19.431 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.151 -14.494 15.842 1.00 43.54 H new ATOM 0 HE1 PHE A 45 19.200 -13.340 20.252 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.160 -15.707 16.676 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.184 -15.130 18.878 1.00 11.12 H new ATOM 734 N PRO A 46 25.537 -11.305 18.349 1.00 33.44 N ATOM 735 CA PRO A 46 26.899 -10.864 17.940 1.00 1.25 C ATOM 736 C PRO A 46 27.284 -11.478 16.585 1.00 72.23 C ATOM 737 O PRO A 46 27.233 -12.703 16.412 1.00 63.41 O ATOM 738 CB PRO A 46 27.817 -11.369 19.066 1.00 45.41 C ATOM 739 CG PRO A 46 27.035 -12.434 19.771 1.00 3.22 C ATOM 740 CD PRO A 46 25.559 -12.061 19.616 1.00 61.54 C ATOM 0 HA PRO A 46 26.970 -9.784 17.808 1.00 1.25 H new ATOM 0 HB2 PRO A 46 28.749 -11.767 18.664 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.083 -10.561 19.748 1.00 45.41 H new ATOM 0 HG2 PRO A 46 27.235 -13.414 19.338 1.00 3.22 H new ATOM 0 HG3 PRO A 46 27.313 -12.488 20.823 1.00 3.22 H new ATOM 0 HD2 PRO A 46 24.923 -12.945 19.569 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.206 -11.457 20.452 1.00 61.54 H new ATOM 748 N PRO A 47 27.592 -10.654 15.609 1.00 24.43 N ATOM 749 CA PRO A 47 27.868 -11.121 14.218 1.00 3.35 C ATOM 750 C PRO A 47 29.026 -12.096 14.146 1.00 32.23 C ATOM 751 O PRO A 47 29.026 -13.009 13.317 1.00 60.40 O ATOM 752 CB PRO A 47 28.191 -9.829 13.453 1.00 22.12 C ATOM 753 CG PRO A 47 28.567 -8.842 14.510 1.00 61.03 C ATOM 754 CD PRO A 47 27.711 -9.193 15.719 1.00 72.21 C ATOM 0 HA PRO A 47 27.021 -11.669 13.804 1.00 3.35 H new ATOM 0 HB2 PRO A 47 29.007 -9.981 12.746 1.00 22.12 H new ATOM 0 HB3 PRO A 47 27.331 -9.484 12.878 1.00 22.12 H new ATOM 0 HG2 PRO A 47 29.629 -8.908 14.749 1.00 61.03 H new ATOM 0 HG3 PRO A 47 28.378 -7.821 14.178 1.00 61.03 H new ATOM 0 HD2 PRO A 47 28.186 -8.893 16.653 1.00 72.21 H new ATOM 0 HD3 PRO A 47 26.738 -8.703 15.684 1.00 72.21 H new ATOM 762 N VAL A 48 29.972 -11.948 15.041 1.00 2.22 N ATOM 763 CA VAL A 48 31.088 -12.866 15.083 1.00 3.34 C ATOM 764 C VAL A 48 30.605 -14.282 15.374 1.00 13.44 C ATOM 765 O VAL A 48 31.041 -15.240 14.734 1.00 24.32 O ATOM 766 CB VAL A 48 32.145 -12.405 16.121 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.470 -12.034 17.453 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.160 -13.536 16.372 1.00 41.53 C ATOM 0 H VAL A 48 29.994 -11.209 15.744 1.00 2.22 H new ATOM 0 HA VAL A 48 31.568 -12.870 14.104 1.00 3.34 H new ATOM 0 HB VAL A 48 32.656 -11.529 15.722 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.228 -11.713 18.168 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.761 -11.223 17.288 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.943 -12.902 17.848 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.899 -13.206 17.102 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.639 -14.414 16.755 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.661 -13.790 15.438 1.00 41.53 H new ATOM 778 N LEU A 49 29.712 -14.410 16.346 1.00 54.44 N ATOM 779 CA LEU A 49 29.217 -15.722 16.736 1.00 52.43 C ATOM 780 C LEU A 49 28.303 -16.306 15.685 1.00 2.01 C ATOM 781 O LEU A 49 28.273 -17.521 15.501 1.00 62.52 O ATOM 782 CB LEU A 49 28.444 -15.637 18.057 1.00 62.41 C ATOM 783 CG LEU A 49 29.418 -15.615 19.243 1.00 55.31 C ATOM 784 CD1 LEU A 49 30.037 -14.222 19.392 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.677 -15.987 20.534 1.00 21.42 C ATOM 0 H LEU A 49 29.319 -13.630 16.874 1.00 54.44 H new ATOM 0 HA LEU A 49 30.088 -16.367 16.852 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.827 -14.739 18.068 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.770 -16.489 18.147 1.00 62.41 H new ATOM 0 HG LEU A 49 30.211 -16.340 19.059 1.00 55.31 H new ATOM 0 HD11 LEU A 49 30.726 -14.219 20.236 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.578 -13.965 18.481 1.00 45.40 H new ATOM 0 HD13 LEU A 49 29.248 -13.490 19.564 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.374 -15.969 21.372 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.876 -15.270 20.713 1.00 21.42 H new ATOM 0 HD23 LEU A 49 28.254 -16.987 20.435 1.00 21.42 H new ATOM 797 N GLN A 50 27.471 -15.456 15.089 1.00 62.55 N ATOM 798 CA GLN A 50 26.428 -15.943 14.197 1.00 24.52 C ATOM 799 C GLN A 50 26.948 -16.336 12.821 1.00 43.40 C ATOM 800 O GLN A 50 27.420 -15.496 12.046 1.00 65.42 O ATOM 801 CB GLN A 50 25.245 -14.958 14.097 1.00 53.50 C ATOM 802 CG GLN A 50 25.692 -13.639 13.469 1.00 42.03 C ATOM 803 CD GLN A 50 25.146 -13.521 12.049 1.00 24.14 C ATOM 804 OE1 GLN A 50 23.933 -13.418 11.848 1.00 22.04 O ATOM 805 NE2 GLN A 50 25.960 -13.550 11.052 1.00 23.53 N ATOM 0 H GLN A 50 27.498 -14.443 15.206 1.00 62.55 H new ATOM 0 HA GLN A 50 26.055 -16.860 14.654 1.00 24.52 H new ATOM 0 HB2 GLN A 50 24.447 -15.399 13.499 1.00 53.50 H new ATOM 0 HB3 GLN A 50 24.834 -14.773 15.090 1.00 53.50 H new ATOM 0 HG2 GLN A 50 25.340 -12.802 14.073 1.00 42.03 H new ATOM 0 HG3 GLN A 50 26.781 -13.585 13.454 1.00 42.03 H new ATOM 0 HE21 GLN A 50 26.963 -13.635 11.215 1.00 23.53 H new ATOM 0 HE22 GLN A 50 25.602 -13.488 10.099 1.00 23.53 H new ATOM 814 N GLN A 51 26.794 -17.606 12.512 1.00 50.00 N ATOM 815 CA GLN A 51 27.148 -18.172 11.226 1.00 5.12 C ATOM 816 C GLN A 51 25.875 -18.551 10.488 1.00 24.14 C ATOM 817 O GLN A 51 25.000 -19.202 11.056 1.00 52.33 O ATOM 818 CB GLN A 51 28.000 -19.428 11.434 1.00 32.34 C ATOM 819 CG GLN A 51 29.326 -19.060 12.106 1.00 40.52 C ATOM 820 CD GLN A 51 30.215 -18.310 11.126 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.745 -17.249 11.449 1.00 2.14 O ATOM 822 NE2 GLN A 51 30.406 -18.792 9.940 1.00 64.45 N ATOM 0 H GLN A 51 26.410 -18.291 13.163 1.00 50.00 H new ATOM 0 HA GLN A 51 27.714 -17.442 10.648 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.458 -20.146 12.050 1.00 32.34 H new ATOM 0 HB3 GLN A 51 28.191 -19.910 10.475 1.00 32.34 H new ATOM 0 HG2 GLN A 51 29.139 -18.444 12.985 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.831 -19.962 12.451 1.00 40.52 H new ATOM 0 HE21 GLN A 51 29.967 -19.672 9.670 1.00 64.45 H new ATOM 0 HE22 GLN A 51 30.996 -18.292 9.275 1.00 64.45 H new ATOM 831 N TRP A 52 25.781 -18.161 9.236 1.00 42.04 N ATOM 832 CA TRP A 52 24.617 -18.475 8.416 1.00 31.04 C ATOM 833 C TRP A 52 24.903 -19.662 7.518 1.00 72.42 C ATOM 834 O TRP A 52 25.941 -19.695 6.839 1.00 1.43 O ATOM 835 CB TRP A 52 24.253 -17.274 7.542 1.00 75.43 C ATOM 836 CG TRP A 52 23.558 -16.235 8.351 1.00 45.20 C ATOM 837 CD1 TRP A 52 24.104 -15.544 9.378 1.00 33.04 C ATOM 838 CD2 TRP A 52 22.198 -15.755 8.208 1.00 51.21 C ATOM 839 NE1 TRP A 52 23.159 -14.664 9.869 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.965 -14.759 9.179 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.150 -16.087 7.333 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.735 -14.114 9.280 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.911 -15.441 7.430 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.703 -14.455 8.403 1.00 64.43 C ATOM 0 H TRP A 52 26.500 -17.621 8.754 1.00 42.04 H new ATOM 0 HA TRP A 52 23.788 -18.716 9.082 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.155 -16.854 7.096 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.611 -17.595 6.721 1.00 75.43 H new ATOM 0 HD1 TRP A 52 25.111 -15.661 9.752 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.322 -14.023 10.645 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.301 -16.846 6.580 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.580 -13.355 10.032 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 19.113 -15.704 6.752 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.746 -13.959 8.475 1.00 64.43 H new ATOM 855 N VAL A 53 23.956 -20.578 7.435 1.00 64.50 N ATOM 856 CA VAL A 53 24.074 -21.708 6.534 1.00 13.22 C ATOM 857 C VAL A 53 22.882 -21.721 5.584 1.00 24.40 C ATOM 858 O VAL A 53 21.725 -21.696 6.023 1.00 52.11 O ATOM 859 CB VAL A 53 24.133 -23.015 7.346 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.046 -24.229 6.416 1.00 70.32 C ATOM 861 CG2 VAL A 53 25.440 -23.069 8.142 1.00 70.32 C ATOM 0 H VAL A 53 23.095 -20.561 7.982 1.00 64.50 H new ATOM 0 HA VAL A 53 24.990 -21.621 5.950 1.00 13.22 H new ATOM 0 HB VAL A 53 23.286 -23.038 8.032 1.00 15.40 H new ATOM 0 HG11 VAL A 53 24.089 -25.144 7.007 1.00 70.32 H new ATOM 0 HG12 VAL A 53 23.107 -24.198 5.864 1.00 70.32 H new ATOM 0 HG13 VAL A 53 24.880 -24.210 5.715 1.00 70.32 H new ATOM 0 HG21 VAL A 53 25.479 -23.995 8.716 1.00 70.32 H new ATOM 0 HG22 VAL A 53 26.286 -23.032 7.456 1.00 70.32 H new ATOM 0 HG23 VAL A 53 25.487 -22.219 8.822 1.00 70.32 H new ATOM 871 N ILE A 54 23.168 -21.768 4.291 1.00 31.32 N ATOM 872 CA ILE A 54 22.138 -21.830 3.262 1.00 2.42 C ATOM 873 C ILE A 54 22.480 -22.945 2.277 1.00 55.44 C ATOM 874 O ILE A 54 23.604 -23.009 1.774 1.00 64.42 O ATOM 875 CB ILE A 54 22.018 -20.462 2.549 1.00 61.22 C ATOM 876 CG1 ILE A 54 21.577 -19.396 3.562 1.00 70.55 C ATOM 877 CG2 ILE A 54 20.986 -20.530 1.415 1.00 73.52 C ATOM 878 CD1 ILE A 54 21.652 -18.013 2.916 1.00 33.44 C ATOM 0 H ILE A 54 24.120 -21.764 3.925 1.00 31.32 H new ATOM 0 HA ILE A 54 21.172 -22.052 3.715 1.00 2.42 H new ATOM 0 HB ILE A 54 22.990 -20.204 2.128 1.00 61.22 H new ATOM 0 HG12 ILE A 54 20.560 -19.597 3.897 1.00 70.55 H new ATOM 0 HG13 ILE A 54 22.216 -19.432 4.444 1.00 70.55 H new ATOM 0 HG21 ILE A 54 20.917 -19.558 0.927 1.00 73.52 H new ATOM 0 HG22 ILE A 54 21.294 -21.281 0.687 1.00 73.52 H new ATOM 0 HG23 ILE A 54 20.013 -20.800 1.825 1.00 73.52 H new ATOM 0 HD11 ILE A 54 21.339 -17.257 3.636 1.00 33.44 H new ATOM 0 HD12 ILE A 54 22.677 -17.813 2.603 1.00 33.44 H new ATOM 0 HD13 ILE A 54 20.994 -17.981 2.047 1.00 33.44 H new ATOM 890 N GLY A 55 21.556 -23.859 2.067 1.00 44.24 N ATOM 891 CA GLY A 55 21.810 -25.003 1.198 1.00 72.21 C ATOM 892 C GLY A 55 21.985 -24.580 -0.251 1.00 2.10 C ATOM 893 O GLY A 55 22.811 -25.137 -0.975 1.00 62.13 O ATOM 0 H GLY A 55 20.624 -23.838 2.481 1.00 44.24 H new ATOM 0 HA2 GLY A 55 22.706 -25.525 1.536 1.00 72.21 H new ATOM 0 HA3 GLY A 55 20.983 -25.708 1.274 1.00 72.21 H new ATOM 897 N GLN A 56 21.151 -23.660 -0.693 1.00 71.41 N ATOM 898 CA GLN A 56 21.136 -23.236 -2.094 1.00 61.53 C ATOM 899 C GLN A 56 22.448 -22.567 -2.500 1.00 71.41 C ATOM 900 O GLN A 56 22.994 -22.847 -3.569 1.00 14.44 O ATOM 901 CB GLN A 56 19.978 -22.260 -2.300 1.00 1.42 C ATOM 902 CG GLN A 56 18.670 -22.926 -1.854 1.00 54.32 C ATOM 903 CD GLN A 56 18.291 -22.417 -0.471 1.00 14.01 C ATOM 904 OE1 GLN A 56 19.034 -22.645 0.489 1.00 34.33 O ATOM 905 NE2 GLN A 56 17.200 -21.739 -0.304 1.00 5.11 N ATOM 0 H GLN A 56 20.468 -23.184 -0.104 1.00 71.41 H new ATOM 0 HA GLN A 56 21.011 -24.120 -2.719 1.00 61.53 H new ATOM 0 HB2 GLN A 56 20.149 -21.348 -1.728 1.00 1.42 H new ATOM 0 HB3 GLN A 56 19.913 -21.970 -3.349 1.00 1.42 H new ATOM 0 HG2 GLN A 56 17.875 -22.704 -2.566 1.00 54.32 H new ATOM 0 HG3 GLN A 56 18.788 -24.009 -1.835 1.00 54.32 H new ATOM 0 HE21 GLN A 56 16.589 -21.553 -1.099 1.00 5.11 H new ATOM 0 HE22 GLN A 56 16.952 -21.392 0.622 1.00 5.11 H new ATOM 914 N ARG A 57 22.911 -21.646 -1.671 1.00 54.23 N ATOM 915 CA ARG A 57 24.127 -20.875 -1.940 1.00 14.45 C ATOM 916 C ARG A 57 24.869 -20.595 -0.649 1.00 42.21 C ATOM 917 O ARG A 57 24.279 -20.655 0.426 1.00 54.43 O ATOM 918 CB ARG A 57 23.775 -19.544 -2.614 1.00 41.54 C ATOM 919 CG ARG A 57 23.198 -19.774 -4.019 1.00 32.25 C ATOM 920 CD ARG A 57 24.295 -20.272 -4.982 1.00 32.13 C ATOM 921 NE ARG A 57 25.594 -19.660 -4.686 1.00 22.13 N ATOM 922 CZ ARG A 57 25.807 -18.341 -4.703 1.00 2.30 C ATOM 923 NH1 ARG A 57 24.848 -17.521 -5.040 1.00 74.12 N ATOM 924 NH2 ARG A 57 26.981 -17.880 -4.399 1.00 71.11 N ATOM 0 H ARG A 57 22.458 -21.407 -0.789 1.00 54.23 H new ATOM 0 HA ARG A 57 24.762 -21.462 -2.604 1.00 14.45 H new ATOM 0 HB2 ARG A 57 23.051 -19.003 -2.004 1.00 41.54 H new ATOM 0 HB3 ARG A 57 24.666 -18.919 -2.681 1.00 41.54 H new ATOM 0 HG2 ARG A 57 22.390 -20.504 -3.971 1.00 32.25 H new ATOM 0 HG3 ARG A 57 22.768 -18.847 -4.398 1.00 32.25 H new ATOM 0 HD2 ARG A 57 24.378 -21.356 -4.909 1.00 32.13 H new ATOM 0 HD3 ARG A 57 24.010 -20.042 -6.009 1.00 32.13 H new ATOM 0 HE ARG A 57 26.376 -20.273 -4.455 1.00 22.13 H new ATOM 0 HH11 ARG A 57 23.930 -17.886 -5.292 1.00 74.12 H new ATOM 0 HH12 ARG A 57 25.017 -16.515 -5.051 1.00 74.12 H new ATOM 0 HH21 ARG A 57 27.733 -18.523 -4.150 1.00 71.11 H new ATOM 0 HH22 ARG A 57 27.152 -16.875 -4.409 1.00 71.11 H new ATOM 938 N LEU A 58 26.127 -20.181 -0.757 1.00 65.05 N ATOM 939 CA LEU A 58 26.884 -19.793 0.426 1.00 31.53 C ATOM 940 C LEU A 58 26.259 -18.567 1.045 1.00 54.55 C ATOM 941 O LEU A 58 25.898 -17.614 0.345 1.00 13.21 O ATOM 942 CB LEU A 58 28.349 -19.470 0.076 1.00 52.33 C ATOM 943 CG LEU A 58 29.123 -20.743 -0.294 1.00 32.24 C ATOM 944 CD1 LEU A 58 30.499 -20.356 -0.834 1.00 61.12 C ATOM 945 CD2 LEU A 58 29.304 -21.621 0.952 1.00 55.40 C ATOM 0 H LEU A 58 26.637 -20.106 -1.637 1.00 65.05 H new ATOM 0 HA LEU A 58 26.865 -20.631 1.123 1.00 31.53 H new ATOM 0 HB2 LEU A 58 28.381 -18.767 -0.756 1.00 52.33 H new ATOM 0 HB3 LEU A 58 28.830 -18.982 0.924 1.00 52.33 H new ATOM 0 HG LEU A 58 28.566 -21.296 -1.051 1.00 32.24 H new ATOM 0 HD11 LEU A 58 31.053 -21.257 -1.098 1.00 61.12 H new ATOM 0 HD12 LEU A 58 30.380 -19.731 -1.719 1.00 61.12 H new ATOM 0 HD13 LEU A 58 31.047 -19.804 -0.071 1.00 61.12 H new ATOM 0 HD21 LEU A 58 29.854 -22.523 0.685 1.00 55.40 H new ATOM 0 HD22 LEU A 58 29.860 -21.068 1.709 1.00 55.40 H new ATOM 0 HD23 LEU A 58 28.327 -21.896 1.349 1.00 55.40 H new ATOM 957 N ALA A 59 26.179 -18.552 2.352 1.00 35.55 N ATOM 958 CA ALA A 59 25.640 -17.405 3.053 1.00 42.01 C ATOM 959 C ALA A 59 26.651 -16.270 3.065 1.00 65.22 C ATOM 960 O ALA A 59 26.829 -15.606 4.087 1.00 41.30 O ATOM 961 CB ALA A 59 25.247 -17.782 4.485 1.00 11.31 C ATOM 0 H ALA A 59 26.479 -19.318 2.955 1.00 35.55 H new ATOM 0 HA ALA A 59 24.745 -17.071 2.528 1.00 42.01 H new ATOM 0 HB1 ALA A 59 24.844 -16.906 4.994 1.00 11.31 H new ATOM 0 HB2 ALA A 59 24.491 -18.567 4.460 1.00 11.31 H new ATOM 0 HB3 ALA A 59 26.126 -18.141 5.021 1.00 11.31 H new ATOM 967 N ARG A 60 27.306 -16.035 1.925 1.00 75.14 N ATOM 968 CA ARG A 60 28.265 -14.946 1.846 1.00 23.34 C ATOM 969 C ARG A 60 27.562 -13.616 1.998 1.00 54.11 C ATOM 970 O ARG A 60 26.431 -13.446 1.543 1.00 12.14 O ATOM 971 CB ARG A 60 29.158 -15.007 0.580 1.00 30.40 C ATOM 972 CG ARG A 60 30.074 -13.765 0.559 1.00 11.11 C ATOM 973 CD ARG A 60 31.330 -14.002 -0.301 1.00 21.13 C ATOM 974 NE ARG A 60 31.033 -14.232 -1.717 1.00 41.43 N ATOM 975 CZ ARG A 60 32.019 -14.580 -2.563 1.00 20.23 C ATOM 976 NH1 ARG A 60 33.239 -14.720 -2.106 1.00 64.24 N ATOM 977 NH2 ARG A 60 31.771 -14.774 -3.827 1.00 14.15 N ATOM 0 H ARG A 60 27.190 -16.573 1.066 1.00 75.14 H new ATOM 0 HA ARG A 60 28.957 -15.061 2.680 1.00 23.34 H new ATOM 0 HB2 ARG A 60 29.757 -15.918 0.584 1.00 30.40 H new ATOM 0 HB3 ARG A 60 28.540 -15.036 -0.317 1.00 30.40 H new ATOM 0 HG2 ARG A 60 29.521 -12.911 0.169 1.00 11.11 H new ATOM 0 HG3 ARG A 60 30.371 -13.514 1.577 1.00 11.11 H new ATOM 0 HD2 ARG A 60 31.990 -13.139 -0.212 1.00 21.13 H new ATOM 0 HD3 ARG A 60 31.873 -14.861 0.092 1.00 21.13 H new ATOM 0 HE ARG A 60 30.078 -14.128 -2.061 1.00 41.43 H new ATOM 0 HH11 ARG A 60 33.434 -14.565 -1.117 1.00 64.24 H new ATOM 0 HH12 ARG A 60 33.994 -14.984 -2.739 1.00 64.24 H new ATOM 0 HH21 ARG A 60 30.822 -14.662 -4.184 1.00 14.15 H new ATOM 0 HH22 ARG A 60 32.526 -15.038 -4.460 1.00 14.15 H new ATOM 991 N ASP A 61 28.184 -12.731 2.759 1.00 5.24 N ATOM 992 CA ASP A 61 27.557 -11.488 3.187 1.00 62.30 C ATOM 993 C ASP A 61 27.123 -10.650 2.008 1.00 23.25 C ATOM 994 O ASP A 61 26.084 -9.989 2.061 1.00 41.02 O ATOM 995 CB ASP A 61 28.577 -10.666 3.990 1.00 4.03 C ATOM 996 CG ASP A 61 28.825 -11.242 5.372 1.00 13.24 C ATOM 997 OD1 ASP A 61 28.113 -12.135 5.785 1.00 33.05 O ATOM 998 OD2 ASP A 61 29.724 -10.767 6.015 1.00 24.14 O ATOM 0 H ASP A 61 29.138 -12.852 3.098 1.00 5.24 H new ATOM 0 HA ASP A 61 26.683 -11.744 3.785 1.00 62.30 H new ATOM 0 HB2 ASP A 61 29.518 -10.625 3.442 1.00 4.03 H new ATOM 0 HB3 ASP A 61 28.219 -9.641 4.086 1.00 4.03 H new ATOM 1003 N GLN A 62 27.986 -10.566 1.023 1.00 12.52 N ATOM 1004 CA GLN A 62 27.804 -9.662 -0.103 1.00 34.33 C ATOM 1005 C GLN A 62 26.789 -10.169 -1.122 1.00 44.45 C ATOM 1006 O GLN A 62 26.427 -9.441 -2.054 1.00 1.43 O ATOM 1007 CB GLN A 62 29.149 -9.410 -0.770 1.00 0.02 C ATOM 1008 CG GLN A 62 30.177 -9.047 0.314 1.00 25.23 C ATOM 1009 CD GLN A 62 31.249 -10.122 0.405 1.00 11.12 C ATOM 1010 OE1 GLN A 62 31.676 -10.660 -0.613 1.00 1.45 O ATOM 1011 NE2 GLN A 62 31.713 -10.475 1.565 1.00 15.21 N ATOM 0 H GLN A 62 28.840 -11.122 0.974 1.00 12.52 H new ATOM 0 HA GLN A 62 27.398 -8.730 0.290 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.472 -10.297 -1.315 1.00 0.02 H new ATOM 0 HB3 GLN A 62 29.065 -8.602 -1.497 1.00 0.02 H new ATOM 0 HG2 GLN A 62 30.635 -8.085 0.083 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.678 -8.939 1.277 1.00 25.23 H new ATOM 0 HE21 GLN A 62 31.360 -10.030 2.412 1.00 15.21 H new ATOM 0 HE22 GLN A 62 32.430 -11.197 1.629 1.00 15.21 H new ATOM 1020 N GLU A 63 26.350 -11.404 -0.983 1.00 4.31 N ATOM 1021 CA GLU A 63 25.382 -11.947 -1.923 1.00 63.23 C ATOM 1022 C GLU A 63 23.954 -11.634 -1.509 1.00 22.23 C ATOM 1023 O GLU A 63 23.631 -11.569 -0.310 1.00 10.12 O ATOM 1024 CB GLU A 63 25.593 -13.441 -2.153 1.00 4.24 C ATOM 1025 CG GLU A 63 26.880 -13.638 -2.951 1.00 13.54 C ATOM 1026 CD GLU A 63 27.141 -15.111 -3.185 1.00 55.25 C ATOM 1027 OE1 GLU A 63 27.057 -15.870 -2.251 1.00 33.23 O ATOM 1028 OE2 GLU A 63 27.421 -15.464 -4.309 1.00 51.42 O ATOM 0 H GLU A 63 26.640 -12.043 -0.243 1.00 4.31 H new ATOM 0 HA GLU A 63 25.551 -11.450 -2.878 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.656 -13.965 -1.199 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.746 -13.863 -2.693 1.00 4.24 H new ATOM 0 HG2 GLU A 63 26.804 -13.120 -3.907 1.00 13.54 H new ATOM 0 HG3 GLU A 63 27.719 -13.195 -2.414 1.00 13.54 H new ATOM 1035 N THR A 64 23.126 -11.353 -2.498 1.00 35.12 N ATOM 1036 CA THR A 64 21.752 -10.967 -2.271 1.00 71.14 C ATOM 1037 C THR A 64 20.874 -12.177 -1.997 1.00 54.02 C ATOM 1038 O THR A 64 21.252 -13.322 -2.294 1.00 2.04 O ATOM 1039 CB THR A 64 21.228 -10.198 -3.493 1.00 71.33 C ATOM 1040 OG1 THR A 64 22.098 -10.419 -4.595 1.00 5.15 O ATOM 1041 CG2 THR A 64 21.143 -8.702 -3.200 1.00 70.13 C ATOM 0 H THR A 64 23.391 -11.387 -3.482 1.00 35.12 H new ATOM 0 HA THR A 64 21.716 -10.326 -1.390 1.00 71.14 H new ATOM 0 HB THR A 64 20.227 -10.559 -3.730 1.00 71.33 H new ATOM 0 HG1 THR A 64 22.074 -11.366 -4.846 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.769 -8.179 -4.081 1.00 70.13 H new ATOM 0 HG22 THR A 64 20.465 -8.533 -2.363 1.00 70.13 H new ATOM 0 HG23 THR A 64 22.134 -8.324 -2.947 1.00 70.13 H new ATOM 1049 N LEU A 65 19.704 -11.934 -1.430 1.00 11.25 N ATOM 1050 CA LEU A 65 18.775 -13.007 -1.164 1.00 22.02 C ATOM 1051 C LEU A 65 18.330 -13.623 -2.493 1.00 11.33 C ATOM 1052 O LEU A 65 18.392 -14.846 -2.672 1.00 62.22 O ATOM 1053 CB LEU A 65 17.575 -12.511 -0.338 1.00 34.52 C ATOM 1054 CG LEU A 65 18.043 -12.025 1.049 1.00 14.33 C ATOM 1055 CD1 LEU A 65 16.846 -11.528 1.863 1.00 43.21 C ATOM 1056 CD2 LEU A 65 18.763 -13.138 1.817 1.00 30.03 C ATOM 0 H LEU A 65 19.381 -11.008 -1.149 1.00 11.25 H new ATOM 0 HA LEU A 65 19.269 -13.774 -0.568 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.073 -11.699 -0.865 1.00 34.52 H new ATOM 0 HB3 LEU A 65 16.847 -13.314 -0.223 1.00 34.52 H new ATOM 0 HG LEU A 65 18.746 -11.206 0.896 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.187 -11.187 2.841 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.366 -10.702 1.338 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.131 -12.340 1.991 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.080 -12.762 2.790 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.086 -13.981 1.956 1.00 30.03 H new ATOM 0 HD23 LEU A 65 19.636 -13.464 1.252 1.00 30.03 H new ATOM 1068 N HIS A 66 18.094 -12.763 -3.492 1.00 73.23 N ATOM 1069 CA HIS A 66 17.797 -13.234 -4.853 1.00 34.14 C ATOM 1070 C HIS A 66 18.864 -14.228 -5.282 1.00 10.32 C ATOM 1071 O HIS A 66 18.565 -15.287 -5.840 1.00 1.13 O ATOM 1072 CB HIS A 66 17.810 -12.047 -5.859 1.00 25.42 C ATOM 1073 CG HIS A 66 16.430 -11.461 -6.083 1.00 52.33 C ATOM 1074 ND1 HIS A 66 16.169 -10.092 -5.976 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.247 -12.030 -6.475 1.00 15.50 C ATOM 1076 CE1 HIS A 66 14.872 -9.904 -6.302 1.00 44.55 C ATOM 1077 NE2 HIS A 66 14.268 -11.054 -6.612 1.00 53.54 N ATOM 0 H HIS A 66 18.102 -11.748 -3.387 1.00 73.23 H new ATOM 0 HA HIS A 66 16.811 -13.698 -4.850 1.00 34.14 H new ATOM 0 HB2 HIS A 66 18.476 -11.268 -5.488 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.216 -12.387 -6.812 1.00 25.42 H new ATOM 0 HD1 HIS A 66 16.835 -9.369 -5.702 1.00 11.11 H new ATOM 0 HD2 HIS A 66 15.097 -13.085 -6.652 1.00 15.50 H new ATOM 0 HE1 HIS A 66 14.383 -8.941 -6.311 1.00 44.55 H new ATOM 1086 N SER A 67 20.103 -13.891 -4.993 1.00 14.51 N ATOM 1087 CA SER A 67 21.236 -14.723 -5.341 1.00 21.22 C ATOM 1088 C SER A 67 21.232 -16.050 -4.586 1.00 5.04 C ATOM 1089 O SER A 67 21.894 -17.003 -5.004 1.00 31.30 O ATOM 1090 CB SER A 67 22.528 -13.972 -5.076 1.00 53.23 C ATOM 1091 OG SER A 67 22.306 -12.585 -5.319 1.00 52.30 O ATOM 0 H SER A 67 20.354 -13.029 -4.508 1.00 14.51 H new ATOM 0 HA SER A 67 21.159 -14.957 -6.403 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.852 -14.129 -4.047 1.00 53.23 H new ATOM 0 HB3 SER A 67 23.323 -14.347 -5.721 1.00 53.23 H new ATOM 0 HG SER A 67 23.067 -12.213 -5.812 1.00 52.30 H new ATOM 1097 N HIS A 68 20.512 -16.112 -3.465 1.00 71.23 N ATOM 1098 CA HIS A 68 20.464 -17.322 -2.661 1.00 44.15 C ATOM 1099 C HIS A 68 19.308 -18.210 -3.062 1.00 51.40 C ATOM 1100 O HIS A 68 19.178 -19.330 -2.571 1.00 71.43 O ATOM 1101 CB HIS A 68 20.403 -16.978 -1.174 1.00 24.14 C ATOM 1102 CG HIS A 68 21.759 -16.524 -0.735 1.00 33.13 C ATOM 1103 ND1 HIS A 68 22.185 -15.210 -0.862 1.00 40.22 N ATOM 1104 CD2 HIS A 68 22.810 -17.210 -0.192 1.00 74.41 C ATOM 1105 CE1 HIS A 68 23.448 -15.155 -0.399 1.00 31.20 C ATOM 1106 NE2 HIS A 68 23.879 -16.351 0.015 1.00 62.11 N ATOM 0 H HIS A 68 19.958 -15.338 -3.099 1.00 71.23 H new ATOM 0 HA HIS A 68 21.381 -17.881 -2.845 1.00 44.15 H new ATOM 0 HB2 HIS A 68 19.666 -16.195 -0.996 1.00 24.14 H new ATOM 0 HB3 HIS A 68 20.090 -17.848 -0.597 1.00 24.14 H new ATOM 0 HD1 HIS A 68 21.643 -14.431 -1.236 1.00 40.22 H new ATOM 0 HD2 HIS A 68 22.808 -18.265 0.041 1.00 74.41 H new ATOM 0 HE1 HIS A 68 24.042 -14.253 -0.366 1.00 31.20 H new ATOM 0 HE2 HIS A 68 24.795 -16.582 0.400 1.00 62.11 H new ATOM 1115 N GLY A 69 18.474 -17.712 -3.950 1.00 24.31 N ATOM 1116 CA GLY A 69 17.335 -18.475 -4.426 1.00 1.43 C ATOM 1117 C GLY A 69 16.116 -18.184 -3.590 1.00 24.22 C ATOM 1118 O GLY A 69 15.017 -18.653 -3.893 1.00 54.34 O ATOM 0 H GLY A 69 18.562 -16.781 -4.358 1.00 24.31 H new ATOM 0 HA2 GLY A 69 17.135 -18.228 -5.469 1.00 1.43 H new ATOM 0 HA3 GLY A 69 17.563 -19.540 -4.389 1.00 1.43 H new ATOM 1122 N VAL A 70 16.288 -17.329 -2.595 1.00 14.11 N ATOM 1123 CA VAL A 70 15.179 -16.882 -1.786 1.00 2.23 C ATOM 1124 C VAL A 70 14.559 -15.662 -2.455 1.00 63.41 C ATOM 1125 O VAL A 70 15.053 -14.536 -2.314 1.00 21.42 O ATOM 1126 CB VAL A 70 15.660 -16.587 -0.345 1.00 22.03 C ATOM 1127 CG1 VAL A 70 16.998 -15.856 -0.358 1.00 73.22 C ATOM 1128 CG2 VAL A 70 14.624 -15.757 0.420 1.00 4.51 C ATOM 0 H VAL A 70 17.190 -16.933 -2.332 1.00 14.11 H new ATOM 0 HA VAL A 70 14.416 -17.656 -1.708 1.00 2.23 H new ATOM 0 HB VAL A 70 15.786 -17.544 0.162 1.00 22.03 H new ATOM 0 HG11 VAL A 70 17.315 -15.660 0.666 1.00 73.22 H new ATOM 0 HG12 VAL A 70 17.745 -16.473 -0.857 1.00 73.22 H new ATOM 0 HG13 VAL A 70 16.892 -14.912 -0.892 1.00 73.22 H new ATOM 0 HG21 VAL A 70 14.986 -15.564 1.430 1.00 4.51 H new ATOM 0 HG22 VAL A 70 14.464 -14.810 -0.096 1.00 4.51 H new ATOM 0 HG23 VAL A 70 13.684 -16.306 0.471 1.00 4.51 H new ATOM 1138 N ARG A 71 13.636 -15.932 -3.362 1.00 60.24 N ATOM 1139 CA ARG A 71 13.096 -14.904 -4.231 1.00 5.14 C ATOM 1140 C ARG A 71 11.684 -14.495 -3.814 1.00 73.44 C ATOM 1141 O ARG A 71 11.170 -13.462 -4.260 1.00 42.30 O ATOM 1142 CB ARG A 71 13.124 -15.407 -5.679 1.00 72.31 C ATOM 1143 CG ARG A 71 14.587 -15.674 -6.073 1.00 42.42 C ATOM 1144 CD ARG A 71 14.672 -16.175 -7.521 1.00 13.23 C ATOM 1145 NE ARG A 71 14.105 -17.515 -7.639 1.00 43.00 N ATOM 1146 CZ ARG A 71 14.080 -18.167 -8.802 1.00 42.14 C ATOM 1147 NH1 ARG A 71 14.592 -17.615 -9.868 1.00 15.55 N ATOM 1148 NH2 ARG A 71 13.558 -19.355 -8.865 1.00 31.11 N ATOM 0 H ARG A 71 13.244 -16.861 -3.515 1.00 60.24 H new ATOM 0 HA ARG A 71 13.715 -14.011 -4.147 1.00 5.14 H new ATOM 0 HB2 ARG A 71 12.533 -16.318 -5.775 1.00 72.31 H new ATOM 0 HB3 ARG A 71 12.681 -14.667 -6.346 1.00 72.31 H new ATOM 0 HG2 ARG A 71 15.172 -14.761 -5.963 1.00 42.42 H new ATOM 0 HG3 ARG A 71 15.022 -16.413 -5.400 1.00 42.42 H new ATOM 0 HD2 ARG A 71 14.138 -15.490 -8.180 1.00 13.23 H new ATOM 0 HD3 ARG A 71 15.712 -16.185 -7.847 1.00 13.23 H new ATOM 0 HE ARG A 71 13.718 -17.965 -6.810 1.00 43.00 H new ATOM 0 HH11 ARG A 71 15.010 -16.686 -9.811 1.00 15.55 H new ATOM 0 HH12 ARG A 71 14.574 -18.112 -10.758 1.00 15.55 H new ATOM 0 HH21 ARG A 71 13.169 -19.786 -8.027 1.00 31.11 H new ATOM 0 HH22 ARG A 71 13.537 -19.856 -9.753 1.00 31.11 H new ATOM 1162 N GLN A 72 11.094 -15.257 -2.910 1.00 22.33 N ATOM 1163 CA GLN A 72 9.778 -14.937 -2.375 1.00 11.22 C ATOM 1164 C GLN A 72 9.637 -15.496 -0.970 1.00 63.41 C ATOM 1165 O GLN A 72 10.391 -16.384 -0.581 1.00 54.20 O ATOM 1166 CB GLN A 72 8.670 -15.474 -3.298 1.00 72.22 C ATOM 1167 CG GLN A 72 8.675 -17.005 -3.301 1.00 11.44 C ATOM 1168 CD GLN A 72 7.783 -17.522 -4.420 1.00 64.24 C ATOM 1169 OE1 GLN A 72 6.624 -17.879 -4.189 1.00 55.53 O ATOM 1170 NE2 GLN A 72 8.250 -17.581 -5.623 1.00 55.43 N ATOM 0 H GLN A 72 11.507 -16.108 -2.528 1.00 22.33 H new ATOM 0 HA GLN A 72 9.673 -13.853 -2.326 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.699 -15.108 -2.963 1.00 72.22 H new ATOM 0 HB3 GLN A 72 8.819 -15.101 -4.311 1.00 72.22 H new ATOM 0 HG2 GLN A 72 9.692 -17.374 -3.434 1.00 11.44 H new ATOM 0 HG3 GLN A 72 8.323 -17.381 -2.340 1.00 11.44 H new ATOM 0 HE21 GLN A 72 9.208 -17.286 -5.813 1.00 55.43 H new ATOM 0 HE22 GLN A 72 7.661 -17.923 -6.383 1.00 55.43 H new ATOM 1179 N ASN A 73 8.668 -14.984 -0.218 1.00 71.53 N ATOM 1180 CA ASN A 73 8.446 -15.452 1.156 1.00 20.42 C ATOM 1181 C ASN A 73 8.209 -16.950 1.173 1.00 52.02 C ATOM 1182 O ASN A 73 7.924 -17.552 0.129 1.00 44.32 O ATOM 1183 CB ASN A 73 7.259 -14.731 1.807 1.00 43.42 C ATOM 1184 CG ASN A 73 5.952 -15.198 1.181 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.544 -16.342 1.371 1.00 70.33 O ATOM 1186 ND2 ASN A 73 5.274 -14.384 0.438 1.00 55.51 N ATOM 0 H ASN A 73 8.028 -14.253 -0.527 1.00 71.53 H new ATOM 0 HA ASN A 73 9.343 -15.223 1.732 1.00 20.42 H new ATOM 0 HB2 ASN A 73 7.248 -14.928 2.879 1.00 43.42 H new ATOM 0 HB3 ASN A 73 7.366 -13.653 1.682 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.401 -14.691 0.010 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.613 -13.435 0.281 1.00 55.51 H new ATOM 1193 N GLY A 74 8.359 -17.553 2.338 1.00 42.33 N ATOM 1194 CA GLY A 74 8.254 -19.009 2.467 1.00 72.21 C ATOM 1195 C GLY A 74 9.643 -19.616 2.513 1.00 53.51 C ATOM 1196 O GLY A 74 9.811 -20.843 2.565 1.00 53.41 O ATOM 0 H GLY A 74 8.554 -17.065 3.212 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.704 -19.265 3.372 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.694 -19.419 1.627 1.00 72.21 H new ATOM 1200 N ASP A 75 10.636 -18.753 2.509 1.00 74.32 N ATOM 1201 CA ASP A 75 12.023 -19.155 2.595 1.00 40.23 C ATOM 1202 C ASP A 75 12.406 -19.393 4.046 1.00 33.23 C ATOM 1203 O ASP A 75 11.617 -19.150 4.960 1.00 22.31 O ATOM 1204 CB ASP A 75 12.906 -18.055 2.011 1.00 54.44 C ATOM 1205 CG ASP A 75 12.480 -16.711 2.581 1.00 32.10 C ATOM 1206 OD1 ASP A 75 11.360 -16.301 2.309 1.00 43.04 O ATOM 1207 OD2 ASP A 75 13.261 -16.123 3.285 1.00 41.44 O ATOM 0 H ASP A 75 10.502 -17.744 2.445 1.00 74.32 H new ATOM 0 HA ASP A 75 12.164 -20.078 2.033 1.00 40.23 H new ATOM 0 HB2 ASP A 75 13.952 -18.248 2.249 1.00 54.44 H new ATOM 0 HB3 ASP A 75 12.823 -18.045 0.924 1.00 54.44 H new ATOM 1212 N SER A 76 13.594 -19.920 4.254 1.00 54.11 N ATOM 1213 CA SER A 76 14.082 -20.196 5.597 1.00 54.23 C ATOM 1214 C SER A 76 15.597 -20.329 5.582 1.00 1.51 C ATOM 1215 O SER A 76 16.186 -20.573 4.525 1.00 74.44 O ATOM 1216 CB SER A 76 13.436 -21.466 6.145 1.00 52.41 C ATOM 1217 OG SER A 76 12.048 -21.482 5.789 1.00 21.32 O ATOM 0 H SER A 76 14.245 -20.168 3.509 1.00 54.11 H new ATOM 0 HA SER A 76 13.812 -19.366 6.250 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.937 -22.346 5.742 1.00 52.41 H new ATOM 0 HB3 SER A 76 13.546 -21.505 7.229 1.00 52.41 H new ATOM 0 HG SER A 76 11.501 -21.442 6.601 1.00 21.32 H new ATOM 1223 N ALA A 77 16.232 -20.168 6.734 1.00 33.13 N ATOM 1224 CA ALA A 77 17.692 -20.267 6.807 1.00 74.42 C ATOM 1225 C ALA A 77 18.142 -20.863 8.131 1.00 71.15 C ATOM 1226 O ALA A 77 17.363 -20.949 9.079 1.00 14.41 O ATOM 1227 CB ALA A 77 18.338 -18.888 6.608 1.00 5.24 C ATOM 0 H ALA A 77 15.772 -19.971 7.623 1.00 33.13 H new ATOM 0 HA ALA A 77 18.016 -20.931 6.006 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.422 -18.982 6.666 1.00 5.24 H new ATOM 0 HB2 ALA A 77 18.060 -18.493 5.631 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.991 -18.208 7.386 1.00 5.24 H new ATOM 1233 N TYR A 78 19.405 -21.246 8.198 1.00 12.02 N ATOM 1234 CA TYR A 78 19.965 -21.811 9.417 1.00 11.21 C ATOM 1235 C TYR A 78 21.087 -20.915 9.923 1.00 11.53 C ATOM 1236 O TYR A 78 22.034 -20.614 9.181 1.00 70.42 O ATOM 1237 CB TYR A 78 20.512 -23.214 9.133 1.00 33.45 C ATOM 1238 CG TYR A 78 20.323 -24.108 10.341 1.00 43.33 C ATOM 1239 CD1 TYR A 78 20.893 -23.772 11.577 1.00 21.22 C ATOM 1240 CD2 TYR A 78 19.577 -25.280 10.215 1.00 61.00 C ATOM 1241 CE1 TYR A 78 20.711 -24.615 12.677 1.00 41.13 C ATOM 1242 CE2 TYR A 78 19.395 -26.120 11.311 1.00 1.34 C ATOM 1243 CZ TYR A 78 19.961 -25.790 12.542 1.00 43.02 C ATOM 1244 OH TYR A 78 19.781 -26.626 13.621 1.00 40.42 O ATOM 0 H TYR A 78 20.064 -21.177 7.423 1.00 12.02 H new ATOM 0 HA TYR A 78 19.185 -21.878 10.176 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.001 -23.643 8.271 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.570 -23.154 8.879 1.00 33.45 H new ATOM 0 HD1 TYR A 78 21.471 -22.865 11.679 1.00 21.22 H new ATOM 0 HD2 TYR A 78 19.138 -25.537 9.262 1.00 61.00 H new ATOM 0 HE1 TYR A 78 21.149 -24.360 13.631 1.00 41.13 H new ATOM 0 HE2 TYR A 78 18.816 -27.026 11.208 1.00 1.34 H new ATOM 0 HH TYR A 78 20.650 -26.970 13.917 1.00 40.42 H new ATOM 1254 N LEU A 79 20.979 -20.480 11.170 1.00 25.24 N ATOM 1255 CA LEU A 79 21.980 -19.612 11.769 1.00 53.21 C ATOM 1256 C LEU A 79 22.639 -20.293 12.963 1.00 53.55 C ATOM 1257 O LEU A 79 21.961 -20.814 13.851 1.00 62.25 O ATOM 1258 CB LEU A 79 21.341 -18.288 12.209 1.00 53.33 C ATOM 1259 CG LEU A 79 22.425 -17.260 12.583 1.00 44.43 C ATOM 1260 CD1 LEU A 79 21.824 -15.854 12.543 1.00 75.51 C ATOM 1261 CD2 LEU A 79 22.959 -17.544 13.993 1.00 71.21 C ATOM 0 H LEU A 79 20.203 -20.716 11.789 1.00 25.24 H new ATOM 0 HA LEU A 79 22.745 -19.406 11.020 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.720 -17.893 11.405 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.686 -18.460 13.063 1.00 53.33 H new ATOM 0 HG LEU A 79 23.246 -17.333 11.870 1.00 44.43 H new ATOM 0 HD11 LEU A 79 22.589 -15.124 12.807 1.00 75.51 H new ATOM 0 HD12 LEU A 79 21.454 -15.645 11.539 1.00 75.51 H new ATOM 0 HD13 LEU A 79 21.000 -15.790 13.254 1.00 75.51 H new ATOM 0 HD21 LEU A 79 23.725 -16.811 14.247 1.00 71.21 H new ATOM 0 HD22 LEU A 79 22.142 -17.479 14.712 1.00 71.21 H new ATOM 0 HD23 LEU A 79 23.390 -18.545 14.024 1.00 71.21 H new ATOM 1273 N TYR A 80 23.953 -20.251 12.995 1.00 5.12 N ATOM 1274 CA TYR A 80 24.726 -20.805 14.098 1.00 41.02 C ATOM 1275 C TYR A 80 25.431 -19.731 14.882 1.00 42.44 C ATOM 1276 O TYR A 80 26.196 -18.975 14.315 1.00 55.24 O ATOM 1277 CB TYR A 80 25.762 -21.803 13.577 1.00 20.13 C ATOM 1278 CG TYR A 80 25.274 -23.192 13.817 1.00 72.33 C ATOM 1279 CD1 TYR A 80 24.356 -23.790 12.955 1.00 60.13 C ATOM 1280 CD2 TYR A 80 25.746 -23.880 14.931 1.00 32.42 C ATOM 1281 CE1 TYR A 80 23.910 -25.084 13.216 1.00 34.21 C ATOM 1282 CE2 TYR A 80 25.310 -25.163 15.192 1.00 4.45 C ATOM 1283 CZ TYR A 80 24.389 -25.773 14.334 1.00 1.20 C ATOM 1284 OH TYR A 80 23.942 -27.048 14.595 1.00 2.11 O ATOM 0 H TYR A 80 24.521 -19.832 12.259 1.00 5.12 H new ATOM 0 HA TYR A 80 24.022 -21.311 14.759 1.00 41.02 H new ATOM 0 HB2 TYR A 80 25.933 -21.644 12.512 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.717 -21.649 14.080 1.00 20.13 H new ATOM 0 HD1 TYR A 80 23.993 -23.254 12.091 1.00 60.13 H new ATOM 0 HD2 TYR A 80 26.456 -23.408 15.594 1.00 32.42 H new ATOM 0 HE1 TYR A 80 23.196 -25.554 12.556 1.00 34.21 H new ATOM 0 HE2 TYR A 80 25.679 -25.695 16.057 1.00 4.45 H new ATOM 0 HH TYR A 80 22.973 -27.032 14.739 1.00 2.11 H new ATOM 1294 N LEU A 81 25.320 -19.783 16.201 1.00 0.03 N ATOM 1295 CA LEU A 81 26.121 -18.914 17.050 1.00 31.14 C ATOM 1296 C LEU A 81 27.255 -19.721 17.645 1.00 52.43 C ATOM 1297 O LEU A 81 27.037 -20.592 18.485 1.00 25.33 O ATOM 1298 CB LEU A 81 25.282 -18.272 18.166 1.00 11.44 C ATOM 1299 CG LEU A 81 24.429 -17.140 17.584 1.00 63.32 C ATOM 1300 CD1 LEU A 81 23.065 -17.686 17.179 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.245 -16.045 18.633 1.00 62.13 C ATOM 0 H LEU A 81 24.691 -20.410 16.702 1.00 0.03 H new ATOM 0 HA LEU A 81 26.517 -18.102 16.440 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.641 -19.022 18.630 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.935 -17.884 18.948 1.00 11.44 H new ATOM 0 HG LEU A 81 24.930 -16.725 16.709 1.00 63.32 H new ATOM 0 HD11 LEU A 81 22.459 -16.880 16.765 1.00 74.33 H new ATOM 0 HD12 LEU A 81 23.194 -18.466 16.428 1.00 74.33 H new ATOM 0 HD13 LEU A 81 22.566 -18.103 18.054 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.638 -15.241 18.217 1.00 62.13 H new ATOM 0 HD22 LEU A 81 23.746 -16.460 19.509 1.00 62.13 H new ATOM 0 HD23 LEU A 81 25.219 -15.651 18.923 1.00 62.13 H new ATOM 1313 N LEU A 82 28.453 -19.490 17.165 1.00 41.20 N ATOM 1314 CA LEU A 82 29.586 -20.284 17.603 1.00 33.24 C ATOM 1315 C LEU A 82 30.038 -19.911 18.996 1.00 52.35 C ATOM 1316 O LEU A 82 29.766 -18.811 19.475 1.00 61.23 O ATOM 1317 CB LEU A 82 30.741 -20.220 16.616 1.00 34.41 C ATOM 1318 CG LEU A 82 30.287 -20.781 15.255 1.00 5.31 C ATOM 1319 CD1 LEU A 82 31.443 -20.694 14.259 1.00 4.22 C ATOM 1320 CD2 LEU A 82 29.831 -22.249 15.400 1.00 74.54 C ATOM 0 H LEU A 82 28.672 -18.768 16.478 1.00 41.20 H new ATOM 0 HA LEU A 82 29.242 -21.318 17.639 1.00 33.24 H new ATOM 0 HB2 LEU A 82 31.079 -19.190 16.502 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.588 -20.793 16.993 1.00 34.41 H new ATOM 0 HG LEU A 82 29.445 -20.191 14.892 1.00 5.31 H new ATOM 0 HD11 LEU A 82 31.124 -21.091 13.295 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.744 -19.653 14.141 1.00 4.22 H new ATOM 0 HD13 LEU A 82 32.287 -21.276 14.629 1.00 4.22 H new ATOM 0 HD21 LEU A 82 29.514 -22.629 14.429 1.00 74.54 H new ATOM 0 HD22 LEU A 82 30.659 -22.852 15.773 1.00 74.54 H new ATOM 0 HD23 LEU A 82 28.998 -22.304 16.101 1.00 74.54 H new ATOM 1332 N SER A 83 30.648 -20.867 19.668 1.00 72.52 N ATOM 1333 CA SER A 83 31.069 -20.710 21.047 1.00 14.32 C ATOM 1334 C SER A 83 31.816 -19.398 21.264 1.00 12.51 C ATOM 1335 O SER A 83 32.993 -19.273 20.905 1.00 43.32 O ATOM 1336 CB SER A 83 31.929 -21.903 21.474 1.00 65.22 C ATOM 1337 OG SER A 83 32.018 -22.838 20.379 1.00 63.53 O ATOM 0 H SER A 83 30.867 -21.780 19.271 1.00 72.52 H new ATOM 0 HA SER A 83 30.175 -20.678 21.669 1.00 14.32 H new ATOM 0 HB2 SER A 83 32.925 -21.565 21.761 1.00 65.22 H new ATOM 0 HB3 SER A 83 31.492 -22.388 22.347 1.00 65.22 H new ATOM 0 HG SER A 83 32.569 -23.603 20.646 1.00 63.53 H new ATOM 1343 N ALA A 84 31.130 -18.437 21.856 1.00 2.42 N ATOM 1344 CA ALA A 84 31.701 -17.134 22.170 1.00 12.40 C ATOM 1345 C ALA A 84 30.729 -16.351 23.020 1.00 24.54 C ATOM 1346 O ALA A 84 29.635 -16.843 23.332 1.00 65.31 O ATOM 1347 CB ALA A 84 32.043 -16.351 20.900 1.00 41.54 C ATOM 0 H ALA A 84 30.154 -18.537 22.135 1.00 2.42 H new ATOM 0 HA ALA A 84 32.629 -17.289 22.721 1.00 12.40 H new ATOM 0 HB1 ALA A 84 32.467 -15.384 21.172 1.00 41.54 H new ATOM 0 HB2 ALA A 84 32.768 -16.912 20.311 1.00 41.54 H new ATOM 0 HB3 ALA A 84 31.138 -16.198 20.312 1.00 41.54 H new ATOM 1353 N ARG A 85 31.086 -15.119 23.343 1.00 20.43 N ATOM 1354 CA ARG A 85 30.213 -14.260 24.135 1.00 2.21 C ATOM 1355 C ARG A 85 30.059 -12.917 23.453 1.00 70.24 C ATOM 1356 O ARG A 85 30.922 -12.505 22.672 1.00 2.14 O ATOM 1357 CB ARG A 85 30.771 -14.031 25.548 1.00 3.12 C ATOM 1358 CG ARG A 85 31.198 -15.354 26.210 1.00 73.00 C ATOM 1359 CD ARG A 85 30.038 -16.360 26.262 1.00 4.44 C ATOM 1360 NE ARG A 85 28.750 -15.716 26.566 1.00 10.23 N ATOM 1361 CZ ARG A 85 27.621 -16.052 25.912 1.00 63.44 C ATOM 1362 NH1 ARG A 85 27.683 -16.786 24.830 1.00 54.33 N ATOM 1363 NH2 ARG A 85 26.471 -15.598 26.323 1.00 55.53 N ATOM 0 H ARG A 85 31.971 -14.690 23.071 1.00 20.43 H new ATOM 0 HA ARG A 85 29.249 -14.761 24.218 1.00 2.21 H new ATOM 0 HB2 ARG A 85 31.626 -13.356 25.497 1.00 3.12 H new ATOM 0 HB3 ARG A 85 30.015 -13.543 26.163 1.00 3.12 H new ATOM 0 HG2 ARG A 85 32.031 -15.787 25.656 1.00 73.00 H new ATOM 0 HG3 ARG A 85 31.555 -15.157 27.221 1.00 73.00 H new ATOM 0 HD2 ARG A 85 29.966 -16.877 25.305 1.00 4.44 H new ATOM 0 HD3 ARG A 85 30.250 -17.116 27.018 1.00 4.44 H new ATOM 0 HE ARG A 85 28.711 -14.998 27.289 1.00 10.23 H new ATOM 0 HH11 ARG A 85 28.587 -17.104 24.481 1.00 54.33 H new ATOM 0 HH12 ARG A 85 26.827 -17.040 24.336 1.00 54.33 H new ATOM 0 HH21 ARG A 85 26.426 -14.988 27.140 1.00 55.53 H new ATOM 0 HH22 ARG A 85 25.616 -15.852 25.828 1.00 55.53 H new ATOM 1377 N ASN A 86 28.998 -12.215 23.786 1.00 72.42 N ATOM 1378 CA ASN A 86 28.781 -10.884 23.254 1.00 43.42 C ATOM 1379 C ASN A 86 29.838 -9.938 23.790 1.00 13.12 C ATOM 1380 O ASN A 86 30.064 -9.858 24.998 1.00 21.14 O ATOM 1381 CB ASN A 86 27.368 -10.365 23.597 1.00 53.32 C ATOM 1382 CG ASN A 86 27.175 -10.195 25.110 1.00 11.41 C ATOM 1383 OD1 ASN A 86 28.003 -10.749 25.944 1.00 50.23 O flip ATOM 1384 ND2 ASN A 86 26.231 -9.531 25.542 1.00 4.31 N flip ATOM 0 H ASN A 86 28.271 -12.542 24.422 1.00 72.42 H new ATOM 0 HA ASN A 86 28.860 -10.932 22.168 1.00 43.42 H new ATOM 0 HB2 ASN A 86 27.201 -9.410 23.100 1.00 53.32 H new ATOM 0 HB3 ASN A 86 26.622 -11.060 23.211 1.00 53.32 H new ATOM 0 HD21 ASN A 86 25.577 -9.093 24.894 1.00 4.31 H new ATOM 0 HD22 ASN A 86 26.104 -9.419 26.548 1.00 4.31 H new ATOM 1391 N THR A 87 30.486 -9.230 22.900 1.00 54.54 N ATOM 1392 CA THR A 87 31.497 -8.280 23.294 1.00 5.51 C ATOM 1393 C THR A 87 30.873 -7.149 24.100 1.00 42.40 C ATOM 1394 O THR A 87 31.443 -6.692 25.094 1.00 24.33 O ATOM 1395 CB THR A 87 32.221 -7.750 22.055 1.00 0.04 C ATOM 1396 OG1 THR A 87 31.269 -7.512 21.018 1.00 73.02 O ATOM 1397 CG2 THR A 87 33.249 -8.779 21.584 1.00 13.21 C ATOM 0 H THR A 87 30.331 -9.293 21.894 1.00 54.54 H new ATOM 0 HA THR A 87 32.230 -8.775 23.931 1.00 5.51 H new ATOM 0 HB THR A 87 32.732 -6.819 22.300 1.00 0.04 H new ATOM 0 HG1 THR A 87 31.730 -7.171 20.223 1.00 73.02 H new ATOM 0 HG21 THR A 87 33.764 -8.401 20.701 1.00 13.21 H new ATOM 0 HG22 THR A 87 33.974 -8.959 22.378 1.00 13.21 H new ATOM 0 HG23 THR A 87 32.743 -9.712 21.337 1.00 13.21 H new ATOM 1405 N SER A 88 29.652 -6.794 23.752 1.00 41.20 N ATOM 1406 CA SER A 88 28.906 -5.798 24.498 1.00 14.24 C ATOM 1407 C SER A 88 27.512 -6.319 24.811 1.00 53.12 C ATOM 1408 O SER A 88 26.930 -7.062 24.017 1.00 13.03 O ATOM 1409 CB SER A 88 28.812 -4.508 23.687 1.00 12.31 C ATOM 1410 OG SER A 88 30.134 -4.039 23.392 1.00 52.20 O ATOM 0 H SER A 88 29.152 -7.183 22.952 1.00 41.20 H new ATOM 0 HA SER A 88 29.424 -5.593 25.435 1.00 14.24 H new ATOM 0 HB2 SER A 88 28.261 -4.685 22.763 1.00 12.31 H new ATOM 0 HB3 SER A 88 28.261 -3.752 24.247 1.00 12.31 H new ATOM 0 HG SER A 88 30.079 -3.212 22.870 1.00 52.20 H new ATOM 1416 N LEU A 89 26.961 -5.894 25.938 1.00 11.45 N ATOM 1417 CA LEU A 89 25.616 -6.304 26.324 1.00 2.42 C ATOM 1418 C LEU A 89 24.628 -5.799 25.295 1.00 41.41 C ATOM 1419 O LEU A 89 23.703 -6.507 24.897 1.00 23.42 O ATOM 1420 CB LEU A 89 25.262 -5.741 27.709 1.00 31.31 C ATOM 1421 CG LEU A 89 26.139 -6.404 28.778 1.00 52.24 C ATOM 1422 CD1 LEU A 89 25.900 -5.733 30.128 1.00 72.30 C ATOM 1423 CD2 LEU A 89 25.797 -7.890 28.886 1.00 73.01 C ATOM 0 H LEU A 89 27.420 -5.268 26.600 1.00 11.45 H new ATOM 0 HA LEU A 89 25.573 -7.392 26.372 1.00 2.42 H new ATOM 0 HB2 LEU A 89 25.411 -4.661 27.722 1.00 31.31 H new ATOM 0 HB3 LEU A 89 24.209 -5.920 27.927 1.00 31.31 H new ATOM 0 HG LEU A 89 27.186 -6.294 28.494 1.00 52.24 H new ATOM 0 HD11 LEU A 89 26.525 -6.207 30.885 1.00 72.30 H new ATOM 0 HD12 LEU A 89 26.153 -4.675 30.058 1.00 72.30 H new ATOM 0 HD13 LEU A 89 24.851 -5.838 30.406 1.00 72.30 H new ATOM 0 HD21 LEU A 89 26.424 -8.353 29.647 1.00 73.01 H new ATOM 0 HD22 LEU A 89 24.749 -8.003 29.162 1.00 73.01 H new ATOM 0 HD23 LEU A 89 25.974 -8.375 27.926 1.00 73.01 H new ATOM 1435 N ASN A 90 24.849 -4.578 24.855 1.00 22.24 N ATOM 1436 CA ASN A 90 24.030 -3.956 23.840 1.00 13.40 C ATOM 1437 C ASN A 90 24.891 -3.552 22.660 1.00 13.42 C ATOM 1438 O ASN A 90 25.060 -4.361 21.783 1.00 53.14 O ATOM 1439 CB ASN A 90 23.313 -2.738 24.413 1.00 14.11 C ATOM 1440 CG ASN A 90 22.225 -3.190 25.363 1.00 13.14 C ATOM 1441 OD1 ASN A 90 21.129 -3.549 24.928 1.00 72.21 O ATOM 1442 ND2 ASN A 90 22.454 -3.208 26.639 1.00 54.13 N ATOM 1443 OXT ASN A 90 25.377 -2.442 22.650 1.00 13.42 O ATOM 0 H ASN A 90 25.607 -3.987 25.195 1.00 22.24 H new ATOM 0 HA ASN A 90 23.280 -4.672 23.502 1.00 13.40 H new ATOM 0 HB2 ASN A 90 24.023 -2.098 24.936 1.00 14.11 H new ATOM 0 HB3 ASN A 90 22.882 -2.144 23.607 1.00 14.11 H new ATOM 0 HD21 ASN A 90 21.727 -3.519 27.283 1.00 54.13 H new ATOM 0 HD22 ASN A 90 23.361 -2.911 26.999 1.00 54.13 H new TER 1450 ASN A 90