USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 812 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 67 THR OG1 : rot -113:sc= 0.417 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0.585 USER MOD Single : A 1 GLU N :NH3+ 176:sc= 0.55 (180deg=0.541) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 84:sc= 0.0683 USER MOD Single : A 17 LYS NZ :NH3+ -139:sc= 1.29 (180deg=-0.138) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.0143 (180deg=-0.241) USER MOD Single : A 27 THR OG1 : rot 55:sc= 0.0177 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.839 F(o=-2.4,f=-0.84) USER MOD Single : A 35 LYS NZ :NH3+ -114:sc= 0.031 (180deg=-0.489) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 0.0587 (180deg=0.0466) USER MOD Single : A 53 MET CE :methyl -171:sc= -1.58 (180deg=-2.08) USER MOD Single : A 59 THR OG1 : rot -110:sc= -0.308 USER MOD Single : A 66 SER OG : rot 160:sc= -0.645 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.535) USER MOD Single : A 77 THR OG1 : rot 86:sc= 0.205 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0192 X(o=-0.019,f=-0.11) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0265 K(o=-0.026,f=-0.53) USER MOD Single : A 94 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.636 K(o=-0.64,f=-3.7!) USER MOD Single : A 101 SER OG : rot 81:sc= 0.27 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 19.991 16.549 4.671 1.00 0.00 N ATOM 2 CA GLU A 1 20.011 15.162 4.113 1.00 0.00 C ATOM 3 C GLU A 1 20.096 14.129 5.245 1.00 0.00 C ATOM 4 O GLU A 1 20.494 14.440 6.352 1.00 0.00 O ATOM 5 CB GLU A 1 21.264 15.100 3.232 1.00 0.00 C ATOM 6 CG GLU A 1 20.876 15.330 1.767 1.00 0.00 C ATOM 7 CD GLU A 1 20.916 16.828 1.451 1.00 0.00 C ATOM 8 OE1 GLU A 1 20.041 17.537 1.921 1.00 0.00 O ATOM 9 OE2 GLU A 1 21.821 17.240 0.744 1.00 0.00 O ATOM 0 H1 GLU A 1 20.002 17.237 3.891 1.00 0.00 H new ATOM 0 H2 GLU A 1 19.130 16.682 5.239 1.00 0.00 H new ATOM 0 H3 GLU A 1 20.828 16.694 5.272 1.00 0.00 H new ATOM 0 HA GLU A 1 19.106 14.936 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 1 21.983 15.855 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 1 21.750 14.131 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 1 21.560 14.792 1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 1 19.877 14.935 1.579 1.00 0.00 H new ATOM 18 N ALA A 2 19.725 12.902 4.970 1.00 0.00 N ATOM 19 CA ALA A 2 19.781 11.838 6.022 1.00 0.00 C ATOM 20 C ALA A 2 20.347 10.538 5.437 1.00 0.00 C ATOM 21 O ALA A 2 20.527 10.412 4.241 1.00 0.00 O ATOM 22 CB ALA A 2 18.328 11.640 6.462 1.00 0.00 C ATOM 0 H ALA A 2 19.385 12.591 4.060 1.00 0.00 H new ATOM 0 HA ALA A 2 20.427 12.116 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 2 18.283 10.873 7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.937 12.577 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.728 11.329 5.607 1.00 0.00 H new ATOM 28 N TYR A 3 20.626 9.568 6.274 1.00 0.00 N ATOM 29 CA TYR A 3 21.179 8.273 5.768 1.00 0.00 C ATOM 30 C TYR A 3 20.095 7.188 5.792 1.00 0.00 C ATOM 31 O TYR A 3 19.718 6.658 4.765 1.00 0.00 O ATOM 32 CB TYR A 3 22.324 7.922 6.724 1.00 0.00 C ATOM 33 CG TYR A 3 23.619 7.831 5.951 1.00 0.00 C ATOM 34 CD1 TYR A 3 23.873 6.718 5.140 1.00 0.00 C ATOM 35 CD2 TYR A 3 24.566 8.858 6.046 1.00 0.00 C ATOM 36 CE1 TYR A 3 25.072 6.634 4.423 1.00 0.00 C ATOM 37 CE2 TYR A 3 25.764 8.774 5.329 1.00 0.00 C ATOM 38 CZ TYR A 3 26.018 7.662 4.518 1.00 0.00 C ATOM 39 OH TYR A 3 27.199 7.578 3.812 1.00 0.00 O ATOM 0 H TYR A 3 20.495 9.617 7.284 1.00 0.00 H new ATOM 0 HA TYR A 3 21.526 8.348 4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 3 22.406 8.680 7.503 1.00 0.00 H new ATOM 0 HB3 TYR A 3 22.118 6.974 7.222 1.00 0.00 H new ATOM 0 HD1 TYR A 3 23.144 5.925 5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.371 9.715 6.673 1.00 0.00 H new ATOM 0 HE1 TYR A 3 25.268 5.776 3.796 1.00 0.00 H new ATOM 0 HE2 TYR A 3 26.493 9.567 5.401 1.00 0.00 H new ATOM 0 HH TYR A 3 27.743 8.374 3.989 1.00 0.00 H new ATOM 49 N VAL A 4 19.592 6.855 6.958 1.00 0.00 N ATOM 50 CA VAL A 4 18.529 5.802 7.051 1.00 0.00 C ATOM 51 C VAL A 4 17.357 6.286 7.922 1.00 0.00 C ATOM 52 O VAL A 4 16.560 5.493 8.391 1.00 0.00 O ATOM 53 CB VAL A 4 19.214 4.585 7.694 1.00 0.00 C ATOM 54 CG1 VAL A 4 20.326 4.071 6.776 1.00 0.00 C ATOM 55 CG2 VAL A 4 19.815 4.976 9.050 1.00 0.00 C ATOM 0 H VAL A 4 19.871 7.266 7.849 1.00 0.00 H new ATOM 0 HA VAL A 4 18.112 5.563 6.073 1.00 0.00 H new ATOM 0 HB VAL A 4 18.472 3.801 7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 4 20.808 3.209 7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 4 19.900 3.779 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 4 21.063 4.859 6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 4 20.298 4.108 9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 4 20.551 5.767 8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 4 19.024 5.331 9.710 1.00 0.00 H new ATOM 65 N GLN A 5 17.241 7.575 8.138 1.00 0.00 N ATOM 66 CA GLN A 5 16.118 8.097 8.974 1.00 0.00 C ATOM 67 C GLN A 5 14.965 8.557 8.074 1.00 0.00 C ATOM 68 O GLN A 5 14.867 9.717 7.721 1.00 0.00 O ATOM 69 CB GLN A 5 16.709 9.281 9.750 1.00 0.00 C ATOM 70 CG GLN A 5 17.751 8.773 10.751 1.00 0.00 C ATOM 71 CD GLN A 5 18.217 9.931 11.636 1.00 0.00 C ATOM 72 OE1 GLN A 5 17.976 9.935 12.825 1.00 0.00 O ATOM 73 NE2 GLN A 5 18.879 10.921 11.102 1.00 0.00 N ATOM 0 H GLN A 5 17.875 8.285 7.772 1.00 0.00 H new ATOM 0 HA GLN A 5 15.714 7.339 9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.168 9.988 9.059 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.917 9.816 10.274 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.324 7.981 11.366 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.600 8.342 10.221 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.082 10.918 10.102 1.00 0.00 H new ATOM 0 HE22 GLN A 5 19.193 11.697 11.684 1.00 0.00 H new ATOM 82 N GLY A 6 14.096 7.652 7.700 1.00 0.00 N ATOM 83 CA GLY A 6 12.949 8.027 6.821 1.00 0.00 C ATOM 84 C GLY A 6 12.208 6.765 6.376 1.00 0.00 C ATOM 85 O GLY A 6 11.958 6.565 5.202 1.00 0.00 O ATOM 0 H GLY A 6 14.132 6.668 7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.269 8.690 7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.309 8.575 5.950 1.00 0.00 H new ATOM 89 N TRP A 7 11.854 5.915 7.309 1.00 0.00 N ATOM 90 CA TRP A 7 11.121 4.657 6.958 1.00 0.00 C ATOM 91 C TRP A 7 9.802 4.993 6.253 1.00 0.00 C ATOM 92 O TRP A 7 9.380 4.298 5.346 1.00 0.00 O ATOM 93 CB TRP A 7 10.856 3.956 8.297 1.00 0.00 C ATOM 94 CG TRP A 7 11.977 3.013 8.615 1.00 0.00 C ATOM 95 CD1 TRP A 7 13.296 3.287 8.471 1.00 0.00 C ATOM 96 CD2 TRP A 7 11.899 1.652 9.134 1.00 0.00 C ATOM 97 NE1 TRP A 7 14.029 2.181 8.864 1.00 0.00 N ATOM 98 CE2 TRP A 7 13.214 1.149 9.281 1.00 0.00 C ATOM 99 CE3 TRP A 7 10.826 0.813 9.486 1.00 0.00 C ATOM 100 CZ2 TRP A 7 13.455 -0.139 9.760 1.00 0.00 C ATOM 101 CZ3 TRP A 7 11.066 -0.484 9.968 1.00 0.00 C ATOM 102 CH2 TRP A 7 12.378 -0.959 10.105 1.00 0.00 C ATOM 0 H TRP A 7 12.042 6.039 8.304 1.00 0.00 H new ATOM 0 HA TRP A 7 11.692 4.024 6.278 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.757 4.696 9.091 1.00 0.00 H new ATOM 0 HB3 TRP A 7 9.913 3.410 8.251 1.00 0.00 H new ATOM 0 HD1 TRP A 7 13.708 4.217 8.109 1.00 0.00 H new ATOM 0 HE1 TRP A 7 15.048 2.134 8.847 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.811 1.169 9.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 14.468 -0.500 9.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 10.235 -1.120 10.235 1.00 0.00 H new ATOM 0 HH2 TRP A 7 12.556 -1.957 10.477 1.00 0.00 H new ATOM 113 N GLU A 8 9.158 6.064 6.652 1.00 0.00 N ATOM 114 CA GLU A 8 7.875 6.457 5.996 1.00 0.00 C ATOM 115 C GLU A 8 8.136 6.847 4.536 1.00 0.00 C ATOM 116 O GLU A 8 7.339 6.562 3.661 1.00 0.00 O ATOM 117 CB GLU A 8 7.352 7.655 6.798 1.00 0.00 C ATOM 118 CG GLU A 8 5.866 7.448 7.117 1.00 0.00 C ATOM 119 CD GLU A 8 5.717 6.575 8.368 1.00 0.00 C ATOM 120 OE1 GLU A 8 6.189 5.447 8.346 1.00 0.00 O ATOM 121 OE2 GLU A 8 5.127 7.045 9.327 1.00 0.00 O ATOM 0 H GLU A 8 9.467 6.681 7.403 1.00 0.00 H new ATOM 0 HA GLU A 8 7.150 5.643 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.921 7.764 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.488 8.575 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.382 8.411 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.366 6.975 6.272 1.00 0.00 H new ATOM 128 N ALA A 9 9.255 7.478 4.264 1.00 0.00 N ATOM 129 CA ALA A 9 9.575 7.863 2.858 1.00 0.00 C ATOM 130 C ALA A 9 9.788 6.599 2.019 1.00 0.00 C ATOM 131 O ALA A 9 9.301 6.494 0.910 1.00 0.00 O ATOM 132 CB ALA A 9 10.863 8.685 2.940 1.00 0.00 C ATOM 0 H ALA A 9 9.957 7.741 4.956 1.00 0.00 H new ATOM 0 HA ALA A 9 8.773 8.434 2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.157 9.002 1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.695 9.563 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.656 8.077 3.375 1.00 0.00 H new ATOM 138 N VAL A 10 10.489 5.629 2.557 1.00 0.00 N ATOM 139 CA VAL A 10 10.712 4.355 1.807 1.00 0.00 C ATOM 140 C VAL A 10 9.370 3.637 1.636 1.00 0.00 C ATOM 141 O VAL A 10 9.069 3.104 0.585 1.00 0.00 O ATOM 142 CB VAL A 10 11.674 3.529 2.676 1.00 0.00 C ATOM 143 CG1 VAL A 10 11.902 2.156 2.038 1.00 0.00 C ATOM 144 CG2 VAL A 10 13.018 4.256 2.791 1.00 0.00 C ATOM 0 H VAL A 10 10.916 5.666 3.483 1.00 0.00 H new ATOM 0 HA VAL A 10 11.128 4.515 0.812 1.00 0.00 H new ATOM 0 HB VAL A 10 11.237 3.403 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.585 1.575 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.951 1.631 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.333 2.283 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.698 3.668 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.448 4.385 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.865 5.233 3.250 1.00 0.00 H new ATOM 154 N ALA A 11 8.555 3.643 2.664 1.00 0.00 N ATOM 155 CA ALA A 11 7.219 2.989 2.572 1.00 0.00 C ATOM 156 C ALA A 11 6.368 3.716 1.526 1.00 0.00 C ATOM 157 O ALA A 11 5.664 3.096 0.752 1.00 0.00 O ATOM 158 CB ALA A 11 6.603 3.131 3.966 1.00 0.00 C ATOM 0 H ALA A 11 8.762 4.075 3.564 1.00 0.00 H new ATOM 0 HA ALA A 11 7.283 1.943 2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.615 2.671 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.241 2.635 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.514 4.188 4.219 1.00 0.00 H new ATOM 164 N ALA A 12 6.446 5.028 1.490 1.00 0.00 N ATOM 165 CA ALA A 12 5.663 5.806 0.484 1.00 0.00 C ATOM 166 C ALA A 12 6.120 5.423 -0.926 1.00 0.00 C ATOM 167 O ALA A 12 5.315 5.255 -1.821 1.00 0.00 O ATOM 168 CB ALA A 12 5.976 7.276 0.771 1.00 0.00 C ATOM 0 H ALA A 12 7.021 5.591 2.117 1.00 0.00 H new ATOM 0 HA ALA A 12 4.593 5.609 0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.433 7.908 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.671 7.521 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.047 7.448 0.662 1.00 0.00 H new ATOM 174 N ALA A 13 7.410 5.269 -1.122 1.00 0.00 N ATOM 175 CA ALA A 13 7.924 4.875 -2.467 1.00 0.00 C ATOM 176 C ALA A 13 7.352 3.507 -2.854 1.00 0.00 C ATOM 177 O ALA A 13 6.940 3.293 -3.979 1.00 0.00 O ATOM 178 CB ALA A 13 9.446 4.806 -2.317 1.00 0.00 C ATOM 0 H ALA A 13 8.125 5.400 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 13 7.635 5.579 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.893 4.521 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.826 5.782 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.704 4.066 -1.559 1.00 0.00 H new ATOM 184 N VAL A 14 7.305 2.586 -1.918 1.00 0.00 N ATOM 185 CA VAL A 14 6.736 1.236 -2.217 1.00 0.00 C ATOM 186 C VAL A 14 5.245 1.378 -2.548 1.00 0.00 C ATOM 187 O VAL A 14 4.740 0.758 -3.467 1.00 0.00 O ATOM 188 CB VAL A 14 6.938 0.411 -0.937 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.328 -0.982 -1.114 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.436 0.272 -0.642 1.00 0.00 C ATOM 0 H VAL A 14 7.636 2.713 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 14 7.216 0.757 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 14 6.447 0.920 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.475 -1.562 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.261 -0.889 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.813 -1.488 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.575 -0.314 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.926 -0.230 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.873 1.261 -0.507 1.00 0.00 H new ATOM 200 N ALA A 15 4.545 2.209 -1.810 1.00 0.00 N ATOM 201 CA ALA A 15 3.093 2.420 -2.082 1.00 0.00 C ATOM 202 C ALA A 15 2.920 3.099 -3.445 1.00 0.00 C ATOM 203 O ALA A 15 2.016 2.784 -4.196 1.00 0.00 O ATOM 204 CB ALA A 15 2.599 3.332 -0.958 1.00 0.00 C ATOM 0 H ALA A 15 4.921 2.749 -1.031 1.00 0.00 H new ATOM 0 HA ALA A 15 2.534 1.485 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.536 3.531 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.758 2.844 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.150 4.272 -0.983 1.00 0.00 H new ATOM 210 N SER A 16 3.796 4.022 -3.772 1.00 0.00 N ATOM 211 CA SER A 16 3.706 4.716 -5.091 1.00 0.00 C ATOM 212 C SER A 16 3.919 3.705 -6.222 1.00 0.00 C ATOM 213 O SER A 16 3.260 3.763 -7.243 1.00 0.00 O ATOM 214 CB SER A 16 4.825 5.758 -5.081 1.00 0.00 C ATOM 215 OG SER A 16 4.410 6.888 -4.322 1.00 0.00 O ATOM 0 H SER A 16 4.569 4.322 -3.179 1.00 0.00 H new ATOM 0 HA SER A 16 2.732 5.180 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.731 5.331 -4.652 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.066 6.059 -6.100 1.00 0.00 H new ATOM 0 HG SER A 16 4.577 6.722 -3.371 1.00 0.00 H new ATOM 221 N LYS A 17 4.829 2.771 -6.044 1.00 0.00 N ATOM 222 CA LYS A 17 5.070 1.749 -7.103 1.00 0.00 C ATOM 223 C LYS A 17 3.830 0.858 -7.259 1.00 0.00 C ATOM 224 O LYS A 17 3.499 0.435 -8.351 1.00 0.00 O ATOM 225 CB LYS A 17 6.279 0.933 -6.627 1.00 0.00 C ATOM 226 CG LYS A 17 6.632 -0.111 -7.691 1.00 0.00 C ATOM 227 CD LYS A 17 8.152 -0.196 -7.855 1.00 0.00 C ATOM 228 CE LYS A 17 8.489 -0.786 -9.231 1.00 0.00 C ATOM 229 NZ LYS A 17 7.942 -2.176 -9.216 1.00 0.00 N ATOM 0 H LYS A 17 5.411 2.677 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 17 5.262 2.201 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.130 1.591 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.052 0.443 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.234 -1.084 -7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.169 0.155 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.595 0.795 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.579 -0.817 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.041 -0.197 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.565 -0.790 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.619 -2.820 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.787 -2.477 -8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.039 -2.199 -9.732 1.00 0.00 H new ATOM 243 N ILE A 18 3.134 0.586 -6.177 1.00 0.00 N ATOM 244 CA ILE A 18 1.905 -0.260 -6.268 1.00 0.00 C ATOM 245 C ILE A 18 0.844 0.475 -7.098 1.00 0.00 C ATOM 246 O ILE A 18 0.241 -0.094 -7.983 1.00 0.00 O ATOM 247 CB ILE A 18 1.425 -0.459 -4.820 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.278 -1.538 -4.140 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.045 -0.899 -4.816 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.722 -1.833 -2.742 1.00 0.00 C ATOM 0 H ILE A 18 3.366 0.914 -5.239 1.00 0.00 H new ATOM 0 HA ILE A 18 2.095 -1.219 -6.751 1.00 0.00 H new ATOM 0 HB ILE A 18 1.523 0.482 -4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.278 -2.447 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.313 -1.204 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.380 -1.039 -3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.655 -0.134 -5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.145 -1.838 -5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.331 -2.600 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.745 -0.923 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.694 -2.186 -2.826 1.00 0.00 H new ATOM 262 N VAL A 19 0.626 1.739 -6.818 1.00 0.00 N ATOM 263 CA VAL A 19 -0.389 2.524 -7.593 1.00 0.00 C ATOM 264 C VAL A 19 0.027 2.606 -9.069 1.00 0.00 C ATOM 265 O VAL A 19 -0.794 2.491 -9.959 1.00 0.00 O ATOM 266 CB VAL A 19 -0.407 3.918 -6.946 1.00 0.00 C ATOM 267 CG1 VAL A 19 -1.156 4.903 -7.850 1.00 0.00 C ATOM 268 CG2 VAL A 19 -1.115 3.848 -5.588 1.00 0.00 C ATOM 0 H VAL A 19 1.107 2.261 -6.086 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.377 2.063 -7.569 1.00 0.00 H new ATOM 0 HB VAL A 19 0.620 4.257 -6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.165 5.889 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.656 4.962 -8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.181 4.560 -7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.126 4.838 -5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.139 3.502 -5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.584 3.154 -4.936 1.00 0.00 H new ATOM 278 N GLY A 20 1.300 2.792 -9.331 1.00 0.00 N ATOM 279 CA GLY A 20 1.777 2.868 -10.746 1.00 0.00 C ATOM 280 C GLY A 20 1.639 1.491 -11.415 1.00 0.00 C ATOM 281 O GLY A 20 1.476 1.392 -12.616 1.00 0.00 O ATOM 0 H GLY A 20 2.028 2.894 -8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.197 3.610 -11.296 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.817 3.193 -10.772 1.00 0.00 H new ATOM 285 N LEU A 21 1.705 0.428 -10.642 1.00 0.00 N ATOM 286 CA LEU A 21 1.581 -0.944 -11.219 1.00 0.00 C ATOM 287 C LEU A 21 0.319 -1.646 -10.688 1.00 0.00 C ATOM 288 O LEU A 21 0.324 -2.835 -10.420 1.00 0.00 O ATOM 289 CB LEU A 21 2.844 -1.672 -10.751 1.00 0.00 C ATOM 290 CG LEU A 21 3.042 -2.950 -11.572 1.00 0.00 C ATOM 291 CD1 LEU A 21 3.953 -2.660 -12.767 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.684 -4.025 -10.691 1.00 0.00 C ATOM 0 H LEU A 21 1.840 0.457 -9.631 1.00 0.00 H new ATOM 0 HA LEU A 21 1.489 -0.930 -12.305 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.711 -1.021 -10.860 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.761 -1.918 -9.692 1.00 0.00 H new ATOM 0 HG LEU A 21 2.075 -3.301 -11.933 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.092 -3.571 -13.349 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.497 -1.895 -13.395 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.920 -2.307 -12.410 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.826 -4.936 -11.273 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.650 -3.671 -10.330 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.034 -4.235 -9.842 1.00 0.00 H new ATOM 304 N TRP A 22 -0.761 -0.920 -10.537 1.00 0.00 N ATOM 305 CA TRP A 22 -2.019 -1.541 -10.027 1.00 0.00 C ATOM 306 C TRP A 22 -2.995 -1.805 -11.184 1.00 0.00 C ATOM 307 O TRP A 22 -3.178 -0.983 -12.062 1.00 0.00 O ATOM 308 CB TRP A 22 -2.606 -0.517 -9.045 1.00 0.00 C ATOM 309 CG TRP A 22 -3.938 -0.991 -8.541 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.235 -2.267 -8.195 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.154 -0.218 -8.323 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.555 -2.325 -7.789 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.164 -1.088 -7.847 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.476 1.140 -8.493 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.447 -0.627 -7.550 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -6.767 1.607 -8.194 1.00 0.00 C ATOM 317 CH2 TRP A 22 -7.750 0.725 -7.724 1.00 0.00 C ATOM 0 H TRP A 22 -0.824 0.076 -10.745 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.835 -2.502 -9.547 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -1.923 -0.371 -8.208 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.718 0.449 -9.538 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.552 -3.103 -8.231 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.022 -3.179 -7.484 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.727 1.828 -8.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.200 -1.311 -7.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.004 2.652 -8.327 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.740 1.091 -7.497 1.00 0.00 H new ATOM 328 N ARG A 23 -3.632 -2.948 -11.175 1.00 0.00 N ATOM 329 CA ARG A 23 -4.613 -3.286 -12.247 1.00 0.00 C ATOM 330 C ARG A 23 -6.034 -3.009 -11.737 1.00 0.00 C ATOM 331 O ARG A 23 -6.216 -2.366 -10.719 1.00 0.00 O ATOM 332 CB ARG A 23 -4.397 -4.783 -12.508 1.00 0.00 C ATOM 333 CG ARG A 23 -4.781 -5.122 -13.952 1.00 0.00 C ATOM 334 CD ARG A 23 -3.620 -5.854 -14.637 1.00 0.00 C ATOM 335 NE ARG A 23 -3.012 -4.847 -15.554 1.00 0.00 N ATOM 336 CZ ARG A 23 -2.446 -5.233 -16.664 1.00 0.00 C ATOM 337 NH1 ARG A 23 -3.183 -5.527 -17.702 1.00 0.00 N ATOM 338 NH2 ARG A 23 -1.143 -5.327 -16.735 1.00 0.00 N ATOM 0 H ARG A 23 -3.512 -3.668 -10.463 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.481 -2.699 -13.156 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.354 -5.045 -12.329 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.998 -5.372 -11.815 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.675 -5.746 -13.964 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.022 -4.210 -14.498 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.894 -6.211 -13.907 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.974 -6.726 -15.188 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.039 -3.856 -15.313 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.199 -5.454 -17.643 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.743 -5.829 -18.571 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.570 -5.099 -15.923 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.700 -5.629 -17.603 1.00 0.00 H new ATOM 352 N ASN A 24 -7.041 -3.484 -12.429 1.00 0.00 N ATOM 353 CA ASN A 24 -8.451 -3.247 -11.975 1.00 0.00 C ATOM 354 C ASN A 24 -8.603 -3.603 -10.488 1.00 0.00 C ATOM 355 O ASN A 24 -9.251 -2.898 -9.738 1.00 0.00 O ATOM 356 CB ASN A 24 -9.310 -4.179 -12.834 1.00 0.00 C ATOM 357 CG ASN A 24 -9.792 -3.429 -14.078 1.00 0.00 C ATOM 358 OD1 ASN A 24 -9.263 -3.617 -15.155 1.00 0.00 O ATOM 359 ND2 ASN A 24 -10.779 -2.581 -13.976 1.00 0.00 N ATOM 0 H ASN A 24 -6.949 -4.026 -13.288 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.744 -2.203 -12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.733 -5.056 -13.126 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.164 -4.537 -12.259 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.105 -2.077 -14.800 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.224 -2.423 -13.072 1.00 0.00 H new ATOM 366 N GLU A 25 -8.003 -4.692 -10.063 1.00 0.00 N ATOM 367 CA GLU A 25 -8.101 -5.104 -8.625 1.00 0.00 C ATOM 368 C GLU A 25 -6.960 -6.066 -8.259 1.00 0.00 C ATOM 369 O GLU A 25 -7.130 -6.963 -7.453 1.00 0.00 O ATOM 370 CB GLU A 25 -9.461 -5.806 -8.499 1.00 0.00 C ATOM 371 CG GLU A 25 -9.545 -6.978 -9.490 1.00 0.00 C ATOM 372 CD GLU A 25 -9.660 -8.302 -8.726 1.00 0.00 C ATOM 373 OE1 GLU A 25 -10.629 -8.467 -8.000 1.00 0.00 O ATOM 374 OE2 GLU A 25 -8.778 -9.132 -8.881 1.00 0.00 O ATOM 0 H GLU A 25 -7.449 -5.314 -10.652 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.019 -4.251 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.598 -6.170 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.265 -5.096 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.407 -6.850 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.660 -6.991 -10.126 1.00 0.00 H new ATOM 381 N LYS A 26 -5.802 -5.891 -8.845 1.00 0.00 N ATOM 382 CA LYS A 26 -4.654 -6.800 -8.541 1.00 0.00 C ATOM 383 C LYS A 26 -3.319 -6.056 -8.672 1.00 0.00 C ATOM 384 O LYS A 26 -3.203 -5.104 -9.418 1.00 0.00 O ATOM 385 CB LYS A 26 -4.756 -7.901 -9.598 1.00 0.00 C ATOM 386 CG LYS A 26 -3.946 -9.127 -9.158 1.00 0.00 C ATOM 387 CD LYS A 26 -2.567 -9.106 -9.827 1.00 0.00 C ATOM 388 CE LYS A 26 -2.560 -10.060 -11.029 1.00 0.00 C ATOM 389 NZ LYS A 26 -3.122 -9.267 -12.162 1.00 0.00 N ATOM 0 H LYS A 26 -5.602 -5.156 -9.523 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.691 -7.188 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.800 -8.178 -9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.385 -7.534 -10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.834 -9.130 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.477 -10.040 -9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.325 -8.094 -10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.800 -9.402 -9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.550 -10.405 -11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.163 -10.946 -10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.977 -9.784 -13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.140 -9.117 -12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.641 -8.347 -12.214 1.00 0.00 H new ATOM 403 N THR A 27 -2.306 -6.497 -7.964 1.00 0.00 N ATOM 404 CA THR A 27 -0.968 -5.832 -8.054 1.00 0.00 C ATOM 405 C THR A 27 0.134 -6.823 -7.662 1.00 0.00 C ATOM 406 O THR A 27 -0.088 -7.737 -6.893 1.00 0.00 O ATOM 407 CB THR A 27 -1.023 -4.648 -7.076 1.00 0.00 C ATOM 408 OG1 THR A 27 0.114 -3.817 -7.270 1.00 0.00 O ATOM 409 CG2 THR A 27 -1.042 -5.153 -5.630 1.00 0.00 C ATOM 0 H THR A 27 -2.349 -7.292 -7.326 1.00 0.00 H new ATOM 0 HA THR A 27 -0.744 -5.492 -9.065 1.00 0.00 H new ATOM 0 HB THR A 27 -1.933 -4.078 -7.265 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.168 -3.552 -8.212 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.081 -4.303 -4.948 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.918 -5.782 -5.476 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.140 -5.733 -5.435 1.00 0.00 H new ATOM 417 N GLU A 28 1.318 -6.654 -8.188 1.00 0.00 N ATOM 418 CA GLU A 28 2.427 -7.598 -7.848 1.00 0.00 C ATOM 419 C GLU A 28 3.427 -6.940 -6.890 1.00 0.00 C ATOM 420 O GLU A 28 4.018 -5.922 -7.197 1.00 0.00 O ATOM 421 CB GLU A 28 3.090 -7.931 -9.188 1.00 0.00 C ATOM 422 CG GLU A 28 3.469 -9.421 -9.223 1.00 0.00 C ATOM 423 CD GLU A 28 2.215 -10.306 -9.368 1.00 0.00 C ATOM 424 OE1 GLU A 28 1.126 -9.769 -9.513 1.00 0.00 O ATOM 425 OE2 GLU A 28 2.373 -11.515 -9.334 1.00 0.00 O ATOM 0 H GLU A 28 1.566 -5.907 -8.836 1.00 0.00 H new ATOM 0 HA GLU A 28 2.063 -8.492 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.411 -7.699 -10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.979 -7.316 -9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.149 -9.608 -10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.002 -9.686 -8.310 1.00 0.00 H new ATOM 432 N LEU A 29 3.624 -7.526 -5.733 1.00 0.00 N ATOM 433 CA LEU A 29 4.589 -6.953 -4.743 1.00 0.00 C ATOM 434 C LEU A 29 5.772 -7.910 -4.547 1.00 0.00 C ATOM 435 O LEU A 29 5.589 -9.079 -4.260 1.00 0.00 O ATOM 436 CB LEU A 29 3.793 -6.808 -3.444 1.00 0.00 C ATOM 437 CG LEU A 29 3.203 -5.398 -3.359 1.00 0.00 C ATOM 438 CD1 LEU A 29 1.866 -5.446 -2.615 1.00 0.00 C ATOM 439 CD2 LEU A 29 4.174 -4.487 -2.600 1.00 0.00 C ATOM 0 H LEU A 29 3.155 -8.380 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 29 5.001 -5.999 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.995 -7.550 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.439 -6.995 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 29 3.045 -5.009 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.447 -4.442 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.175 -6.096 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.023 -5.834 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.757 -3.482 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.329 -4.878 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.127 -4.452 -3.127 1.00 0.00 H new ATOM 451 N LEU A 30 6.982 -7.419 -4.703 1.00 0.00 N ATOM 452 CA LEU A 30 8.197 -8.285 -4.535 1.00 0.00 C ATOM 453 C LEU A 30 8.114 -9.532 -5.432 1.00 0.00 C ATOM 454 O LEU A 30 8.585 -10.596 -5.076 1.00 0.00 O ATOM 455 CB LEU A 30 8.211 -8.681 -3.054 1.00 0.00 C ATOM 456 CG LEU A 30 9.646 -8.627 -2.525 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.038 -7.173 -2.251 1.00 0.00 C ATOM 458 CD2 LEU A 30 9.739 -9.435 -1.228 1.00 0.00 C ATOM 0 H LEU A 30 7.181 -6.447 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 30 9.108 -7.760 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.575 -8.007 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.804 -9.685 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 30 10.323 -9.049 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.060 -7.137 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.971 -6.598 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.362 -6.748 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.760 -9.398 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.061 -9.012 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.462 -10.471 -1.424 1.00 0.00 H new ATOM 470 N GLY A 31 7.517 -9.406 -6.595 1.00 0.00 N ATOM 471 CA GLY A 31 7.399 -10.578 -7.518 1.00 0.00 C ATOM 472 C GLY A 31 6.336 -11.557 -6.996 1.00 0.00 C ATOM 473 O GLY A 31 6.367 -12.732 -7.310 1.00 0.00 O ATOM 0 H GLY A 31 7.106 -8.540 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.131 -10.237 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.361 -11.084 -7.601 1.00 0.00 H new ATOM 477 N HIS A 32 5.400 -11.086 -6.205 1.00 0.00 N ATOM 478 CA HIS A 32 4.339 -11.980 -5.663 1.00 0.00 C ATOM 479 C HIS A 32 2.959 -11.446 -6.050 1.00 0.00 C ATOM 480 O HIS A 32 2.745 -10.249 -6.110 1.00 0.00 O ATOM 481 CB HIS A 32 4.511 -11.934 -4.144 1.00 0.00 C ATOM 482 CG HIS A 32 5.877 -12.436 -3.760 1.00 0.00 C ATOM 483 ND1 HIS A 32 6.792 -11.980 -2.847 1.00 0.00 N flip ATOM 484 CD2 HIS A 32 6.453 -13.551 -4.350 1.00 0.00 C flip ATOM 485 CE1 HIS A 32 7.919 -12.795 -2.865 1.00 0.00 C flip ATOM 486 NE2 HIS A 32 7.663 -13.725 -3.788 1.00 0.00 N flip ATOM 0 H HIS A 32 5.330 -10.111 -5.912 1.00 0.00 H new ATOM 0 HA HIS A 32 4.419 -12.995 -6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.377 -10.913 -3.786 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.744 -12.543 -3.665 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.011 -14.167 -5.120 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.810 -12.697 -2.262 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.307 -14.476 -4.037 1.00 0.00 H new ATOM 494 N GLU A 33 2.022 -12.319 -6.307 1.00 0.00 N ATOM 495 CA GLU A 33 0.654 -11.855 -6.688 1.00 0.00 C ATOM 496 C GLU A 33 -0.083 -11.301 -5.463 1.00 0.00 C ATOM 497 O GLU A 33 -0.254 -11.979 -4.466 1.00 0.00 O ATOM 498 CB GLU A 33 -0.065 -13.094 -7.236 1.00 0.00 C ATOM 499 CG GLU A 33 -0.782 -12.739 -8.544 1.00 0.00 C ATOM 500 CD GLU A 33 -2.244 -12.379 -8.257 1.00 0.00 C ATOM 501 OE1 GLU A 33 -2.472 -11.378 -7.599 1.00 0.00 O ATOM 502 OE2 GLU A 33 -3.112 -13.107 -8.710 1.00 0.00 O ATOM 0 H GLU A 33 2.143 -13.331 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 33 0.690 -11.053 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.653 -13.896 -7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.784 -13.463 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.280 -11.901 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.735 -13.581 -9.235 1.00 0.00 H new ATOM 509 N CYS A 34 -0.532 -10.076 -5.545 1.00 0.00 N ATOM 510 CA CYS A 34 -1.275 -9.464 -4.410 1.00 0.00 C ATOM 511 C CYS A 34 -2.591 -8.884 -4.924 1.00 0.00 C ATOM 512 O CYS A 34 -2.761 -8.668 -6.111 1.00 0.00 O ATOM 513 CB CYS A 34 -0.377 -8.354 -3.864 1.00 0.00 C ATOM 514 SG CYS A 34 1.050 -9.086 -3.024 1.00 0.00 S ATOM 0 H CYS A 34 -0.414 -9.471 -6.357 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.511 -10.191 -3.633 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.042 -7.710 -4.677 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.938 -7.727 -3.171 1.00 0.00 H new ATOM 519 N LYS A 35 -3.524 -8.635 -4.049 1.00 0.00 N ATOM 520 CA LYS A 35 -4.832 -8.077 -4.494 1.00 0.00 C ATOM 521 C LYS A 35 -5.058 -6.683 -3.909 1.00 0.00 C ATOM 522 O LYS A 35 -5.149 -6.507 -2.710 1.00 0.00 O ATOM 523 CB LYS A 35 -5.876 -9.057 -3.967 1.00 0.00 C ATOM 524 CG LYS A 35 -7.186 -8.865 -4.732 1.00 0.00 C ATOM 525 CD LYS A 35 -7.154 -9.695 -6.020 1.00 0.00 C ATOM 526 CE LYS A 35 -8.093 -10.898 -5.881 1.00 0.00 C ATOM 527 NZ LYS A 35 -9.469 -10.347 -6.047 1.00 0.00 N ATOM 0 H LYS A 35 -3.438 -8.793 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.880 -7.966 -5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.521 -10.081 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.037 -8.895 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.029 -9.169 -4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.329 -7.811 -4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.457 -9.081 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.138 -10.035 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.878 -11.653 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.976 -11.377 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.992 -10.443 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.411 -9.342 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.965 -10.871 -6.796 1.00 0.00 H new ATOM 541 N PHE A 36 -5.161 -5.695 -4.758 1.00 0.00 N ATOM 542 CA PHE A 36 -5.399 -4.301 -4.278 1.00 0.00 C ATOM 543 C PHE A 36 -6.732 -3.797 -4.846 1.00 0.00 C ATOM 544 O PHE A 36 -6.952 -3.827 -6.040 1.00 0.00 O ATOM 545 CB PHE A 36 -4.222 -3.483 -4.826 1.00 0.00 C ATOM 546 CG PHE A 36 -4.162 -2.137 -4.139 1.00 0.00 C ATOM 547 CD1 PHE A 36 -5.164 -1.187 -4.367 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.103 -1.840 -3.272 1.00 0.00 C ATOM 549 CE1 PHE A 36 -5.109 0.057 -3.729 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.049 -0.596 -2.633 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.053 0.351 -2.862 1.00 0.00 C ATOM 0 H PHE A 36 -5.090 -5.794 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.459 -4.227 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.288 -4.023 -4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.333 -3.347 -5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.981 -1.414 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.328 -2.571 -3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.882 0.790 -3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.233 -0.367 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.012 1.311 -2.368 1.00 0.00 H new ATOM 561 N THR A 37 -7.629 -3.351 -4.004 1.00 0.00 N ATOM 562 CA THR A 37 -8.952 -2.871 -4.512 1.00 0.00 C ATOM 563 C THR A 37 -9.358 -1.543 -3.857 1.00 0.00 C ATOM 564 O THR A 37 -8.943 -1.222 -2.758 1.00 0.00 O ATOM 565 CB THR A 37 -9.954 -3.977 -4.150 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.554 -4.624 -2.944 1.00 0.00 O ATOM 567 CG2 THR A 37 -10.015 -5.004 -5.284 1.00 0.00 C ATOM 0 H THR A 37 -7.505 -3.298 -2.993 1.00 0.00 H new ATOM 0 HA THR A 37 -8.917 -2.682 -5.585 1.00 0.00 H new ATOM 0 HB THR A 37 -10.938 -3.531 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.199 -5.327 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.726 -5.789 -5.026 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.334 -4.513 -6.203 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.028 -5.443 -5.431 1.00 0.00 H new ATOM 575 N VAL A 38 -10.178 -0.774 -4.537 1.00 0.00 N ATOM 576 CA VAL A 38 -10.639 0.539 -3.983 1.00 0.00 C ATOM 577 C VAL A 38 -12.143 0.717 -4.244 1.00 0.00 C ATOM 578 O VAL A 38 -12.648 0.332 -5.282 1.00 0.00 O ATOM 579 CB VAL A 38 -9.831 1.606 -4.737 1.00 0.00 C ATOM 580 CG1 VAL A 38 -10.264 3.002 -4.279 1.00 0.00 C ATOM 581 CG2 VAL A 38 -8.337 1.426 -4.448 1.00 0.00 C ATOM 0 H VAL A 38 -10.550 -1.003 -5.459 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.488 0.608 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.013 1.497 -5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.689 3.756 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.325 3.140 -4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.087 3.105 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.768 2.185 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.159 1.529 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.020 0.436 -4.775 1.00 0.00 H new ATOM 591 N LYS A 39 -12.861 1.300 -3.313 1.00 0.00 N ATOM 592 CA LYS A 39 -14.329 1.501 -3.515 1.00 0.00 C ATOM 593 C LYS A 39 -14.847 2.637 -2.620 1.00 0.00 C ATOM 594 O LYS A 39 -14.686 2.595 -1.416 1.00 0.00 O ATOM 595 CB LYS A 39 -14.973 0.169 -3.117 1.00 0.00 C ATOM 596 CG LYS A 39 -16.450 0.168 -3.521 1.00 0.00 C ATOM 597 CD LYS A 39 -16.643 -0.699 -4.767 1.00 0.00 C ATOM 598 CE LYS A 39 -16.933 -2.144 -4.346 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.724 -2.960 -5.577 1.00 0.00 N ATOM 0 H LYS A 39 -12.494 1.644 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.565 1.779 -4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.453 -0.657 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.880 0.016 -2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.061 -0.213 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.783 1.187 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.466 -0.312 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.749 -0.663 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.266 -2.462 -3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.952 -2.248 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.905 -3.962 -5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.377 -2.640 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.744 -2.848 -5.906 1.00 0.00 H new ATOM 613 N PRO A 40 -15.461 3.616 -3.243 1.00 0.00 N ATOM 614 CA PRO A 40 -16.013 4.767 -2.489 1.00 0.00 C ATOM 615 C PRO A 40 -17.348 4.400 -1.827 1.00 0.00 C ATOM 616 O PRO A 40 -18.025 3.477 -2.242 1.00 0.00 O ATOM 617 CB PRO A 40 -16.223 5.832 -3.559 1.00 0.00 C ATOM 618 CG PRO A 40 -16.389 5.077 -4.843 1.00 0.00 C ATOM 619 CD PRO A 40 -15.689 3.749 -4.690 1.00 0.00 C ATOM 0 HA PRO A 40 -15.356 5.095 -1.683 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -17.103 6.438 -3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.372 6.511 -3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.446 4.929 -5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.964 5.639 -5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.301 2.932 -5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.750 3.730 -5.243 1.00 0.00 H new ATOM 627 N TYR A 41 -17.731 5.129 -0.809 1.00 0.00 N ATOM 628 CA TYR A 41 -19.022 4.848 -0.117 1.00 0.00 C ATOM 629 C TYR A 41 -19.792 6.152 0.090 1.00 0.00 C ATOM 630 O TYR A 41 -19.455 7.183 -0.464 1.00 0.00 O ATOM 631 CB TYR A 41 -18.647 4.232 1.234 1.00 0.00 C ATOM 632 CG TYR A 41 -17.920 2.921 1.026 1.00 0.00 C ATOM 633 CD1 TYR A 41 -18.536 1.881 0.316 1.00 0.00 C ATOM 634 CD2 TYR A 41 -16.634 2.746 1.545 1.00 0.00 C ATOM 635 CE1 TYR A 41 -17.864 0.669 0.127 1.00 0.00 C ATOM 636 CE2 TYR A 41 -15.962 1.533 1.356 1.00 0.00 C ATOM 637 CZ TYR A 41 -16.577 0.495 0.647 1.00 0.00 C ATOM 638 OH TYR A 41 -15.913 -0.700 0.461 1.00 0.00 O ATOM 0 H TYR A 41 -17.200 5.911 -0.427 1.00 0.00 H new ATOM 0 HA TYR A 41 -19.657 4.178 -0.697 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -18.015 4.922 1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.545 4.068 1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.530 2.016 -0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -16.159 3.547 2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.338 -0.132 -0.420 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.969 1.398 1.757 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.030 -0.653 0.884 1.00 0.00 H new ATOM 648 N LEU A 42 -20.825 6.106 0.883 1.00 0.00 N ATOM 649 CA LEU A 42 -21.634 7.333 1.137 1.00 0.00 C ATOM 650 C LEU A 42 -21.745 7.610 2.639 1.00 0.00 C ATOM 651 O LEU A 42 -21.798 6.705 3.451 1.00 0.00 O ATOM 652 CB LEU A 42 -23.015 7.033 0.548 1.00 0.00 C ATOM 653 CG LEU A 42 -23.709 8.347 0.174 1.00 0.00 C ATOM 654 CD1 LEU A 42 -24.407 8.193 -1.178 1.00 0.00 C ATOM 655 CD2 LEU A 42 -24.748 8.701 1.244 1.00 0.00 C ATOM 0 H LEU A 42 -21.146 5.269 1.369 1.00 0.00 H new ATOM 0 HA LEU A 42 -21.179 8.216 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.916 6.398 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -23.619 6.484 1.271 1.00 0.00 H new ATOM 0 HG LEU A 42 -22.965 9.141 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -24.900 9.129 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -23.670 7.943 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -25.149 7.397 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -25.241 9.636 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -25.490 7.905 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -24.253 8.814 2.208 1.00 0.00 H new ATOM 667 N LYS A 43 -21.793 8.864 3.002 1.00 0.00 N ATOM 668 CA LYS A 43 -21.916 9.247 4.437 1.00 0.00 C ATOM 669 C LYS A 43 -23.217 10.028 4.643 1.00 0.00 C ATOM 670 O LYS A 43 -23.910 10.340 3.692 1.00 0.00 O ATOM 671 CB LYS A 43 -20.699 10.138 4.712 1.00 0.00 C ATOM 672 CG LYS A 43 -20.193 9.908 6.142 1.00 0.00 C ATOM 673 CD LYS A 43 -20.607 11.083 7.036 1.00 0.00 C ATOM 674 CE LYS A 43 -19.514 12.158 7.018 1.00 0.00 C ATOM 675 NZ LYS A 43 -19.902 13.128 8.083 1.00 0.00 N ATOM 0 H LYS A 43 -21.751 9.651 2.354 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.944 8.387 5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.907 9.916 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -20.967 11.186 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.601 8.978 6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.108 9.805 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.550 11.504 6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.772 10.736 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.533 11.726 7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -19.456 12.645 6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.199 13.893 8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.836 13.529 7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.942 12.639 9.000 1.00 0.00 H new ATOM 689 N ARG A 44 -23.547 10.343 5.876 1.00 0.00 N ATOM 690 CA ARG A 44 -24.807 11.108 6.175 1.00 0.00 C ATOM 691 C ARG A 44 -25.036 12.237 5.157 1.00 0.00 C ATOM 692 O ARG A 44 -26.163 12.545 4.813 1.00 0.00 O ATOM 693 CB ARG A 44 -24.601 11.691 7.576 1.00 0.00 C ATOM 694 CG ARG A 44 -25.224 10.759 8.621 1.00 0.00 C ATOM 695 CD ARG A 44 -26.250 11.532 9.458 1.00 0.00 C ATOM 696 NE ARG A 44 -27.533 11.423 8.703 1.00 0.00 N ATOM 697 CZ ARG A 44 -28.291 12.476 8.545 1.00 0.00 C ATOM 698 NH1 ARG A 44 -29.072 12.870 9.518 1.00 0.00 N ATOM 699 NH2 ARG A 44 -28.270 13.133 7.414 1.00 0.00 N ATOM 0 H ARG A 44 -22.992 10.101 6.697 1.00 0.00 H new ATOM 0 HA ARG A 44 -25.683 10.462 6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -23.537 11.816 7.775 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -25.056 12.680 7.639 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -25.705 9.914 8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -24.447 10.351 9.267 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -26.344 11.107 10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -25.953 12.573 9.582 1.00 0.00 H new ATOM 0 HE ARG A 44 -27.818 10.526 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -29.089 12.356 10.399 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -29.664 13.692 9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -27.662 12.823 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -28.861 13.955 7.291 1.00 0.00 H new ATOM 713 N PHE A 45 -23.981 12.846 4.670 1.00 0.00 N ATOM 714 CA PHE A 45 -24.137 13.943 3.666 1.00 0.00 C ATOM 715 C PHE A 45 -22.809 14.192 2.930 1.00 0.00 C ATOM 716 O PHE A 45 -22.422 15.324 2.703 1.00 0.00 O ATOM 717 CB PHE A 45 -24.546 15.176 4.484 1.00 0.00 C ATOM 718 CG PHE A 45 -25.630 15.932 3.753 1.00 0.00 C ATOM 719 CD1 PHE A 45 -26.976 15.606 3.963 1.00 0.00 C ATOM 720 CD2 PHE A 45 -25.290 16.961 2.867 1.00 0.00 C ATOM 721 CE1 PHE A 45 -27.980 16.308 3.286 1.00 0.00 C ATOM 722 CE2 PHE A 45 -26.295 17.663 2.190 1.00 0.00 C ATOM 723 CZ PHE A 45 -27.640 17.335 2.399 1.00 0.00 C ATOM 0 H PHE A 45 -23.018 12.629 4.926 1.00 0.00 H new ATOM 0 HA PHE A 45 -24.875 13.699 2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -24.902 14.870 5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -23.683 15.822 4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -27.239 14.813 4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -24.252 17.214 2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -29.018 16.057 3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -26.033 18.457 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 45 -28.415 17.875 1.875 1.00 0.00 H new ATOM 733 N GLN A 46 -22.106 13.144 2.553 1.00 0.00 N ATOM 734 CA GLN A 46 -20.802 13.337 1.833 1.00 0.00 C ATOM 735 C GLN A 46 -20.335 12.032 1.168 1.00 0.00 C ATOM 736 O GLN A 46 -20.665 10.947 1.606 1.00 0.00 O ATOM 737 CB GLN A 46 -19.806 13.757 2.921 1.00 0.00 C ATOM 738 CG GLN A 46 -19.397 15.218 2.713 1.00 0.00 C ATOM 739 CD GLN A 46 -18.045 15.474 3.385 1.00 0.00 C ATOM 740 OE1 GLN A 46 -17.971 15.643 4.587 1.00 0.00 O ATOM 741 NE2 GLN A 46 -16.962 15.509 2.657 1.00 0.00 N ATOM 0 H GLN A 46 -22.376 12.173 2.711 1.00 0.00 H new ATOM 0 HA GLN A 46 -20.891 14.077 1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -20.255 13.632 3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -18.926 13.115 2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -19.333 15.440 1.648 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -20.154 15.881 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -17.021 15.368 1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.057 15.678 3.097 1.00 0.00 H new ATOM 750 N VAL A 47 -19.551 12.139 0.122 1.00 0.00 N ATOM 751 CA VAL A 47 -19.033 10.916 -0.570 1.00 0.00 C ATOM 752 C VAL A 47 -17.600 10.643 -0.097 1.00 0.00 C ATOM 753 O VAL A 47 -16.731 11.487 -0.220 1.00 0.00 O ATOM 754 CB VAL A 47 -19.057 11.251 -2.068 1.00 0.00 C ATOM 755 CG1 VAL A 47 -18.482 10.078 -2.867 1.00 0.00 C ATOM 756 CG2 VAL A 47 -20.498 11.508 -2.518 1.00 0.00 C ATOM 0 H VAL A 47 -19.246 13.024 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.627 10.027 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 47 -18.456 12.143 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -18.500 10.318 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.454 9.894 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -19.082 9.186 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -20.510 11.745 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -21.100 10.617 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.911 12.345 -1.955 1.00 0.00 H new ATOM 766 N TYR A 48 -17.346 9.483 0.454 1.00 0.00 N ATOM 767 CA TYR A 48 -15.967 9.175 0.949 1.00 0.00 C ATOM 768 C TYR A 48 -15.291 8.113 0.076 1.00 0.00 C ATOM 769 O TYR A 48 -15.935 7.402 -0.672 1.00 0.00 O ATOM 770 CB TYR A 48 -16.164 8.654 2.376 1.00 0.00 C ATOM 771 CG TYR A 48 -16.163 9.820 3.336 1.00 0.00 C ATOM 772 CD1 TYR A 48 -17.345 10.529 3.576 1.00 0.00 C ATOM 773 CD2 TYR A 48 -14.978 10.196 3.979 1.00 0.00 C ATOM 774 CE1 TYR A 48 -17.344 11.613 4.460 1.00 0.00 C ATOM 775 CE2 TYR A 48 -14.976 11.279 4.865 1.00 0.00 C ATOM 776 CZ TYR A 48 -16.160 11.989 5.105 1.00 0.00 C ATOM 777 OH TYR A 48 -16.158 13.059 5.976 1.00 0.00 O ATOM 0 H TYR A 48 -18.030 8.738 0.583 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.322 10.053 0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.104 8.108 2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.368 7.955 2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -18.259 10.239 3.078 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -14.065 9.650 3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -18.257 12.160 4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -14.062 11.568 5.364 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.256 13.185 6.338 1.00 0.00 H new ATOM 787 N TYR A 49 -13.989 8.005 0.174 1.00 0.00 N ATOM 788 CA TYR A 49 -13.248 6.995 -0.638 1.00 0.00 C ATOM 789 C TYR A 49 -12.457 6.057 0.280 1.00 0.00 C ATOM 790 O TYR A 49 -11.718 6.495 1.140 1.00 0.00 O ATOM 791 CB TYR A 49 -12.307 7.808 -1.529 1.00 0.00 C ATOM 792 CG TYR A 49 -12.574 7.473 -2.977 1.00 0.00 C ATOM 793 CD1 TYR A 49 -11.881 6.424 -3.592 1.00 0.00 C ATOM 794 CD2 TYR A 49 -13.517 8.212 -3.704 1.00 0.00 C ATOM 795 CE1 TYR A 49 -12.131 6.113 -4.934 1.00 0.00 C ATOM 796 CE2 TYR A 49 -13.766 7.900 -5.046 1.00 0.00 C ATOM 797 CZ TYR A 49 -13.073 6.849 -5.661 1.00 0.00 C ATOM 798 OH TYR A 49 -13.317 6.543 -6.984 1.00 0.00 O ATOM 0 H TYR A 49 -13.406 8.577 0.785 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.916 6.368 -1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.456 8.874 -1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.269 7.587 -1.278 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.154 5.855 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -14.051 9.022 -3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.596 5.304 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -14.492 8.469 -5.607 1.00 0.00 H new ATOM 0 HH TYR A 49 -14.000 7.150 -7.340 1.00 0.00 H new ATOM 808 N LYS A 50 -12.610 4.771 0.100 1.00 0.00 N ATOM 809 CA LYS A 50 -11.875 3.789 0.956 1.00 0.00 C ATOM 810 C LYS A 50 -11.222 2.715 0.082 1.00 0.00 C ATOM 811 O LYS A 50 -11.700 2.408 -0.992 1.00 0.00 O ATOM 812 CB LYS A 50 -12.947 3.172 1.856 1.00 0.00 C ATOM 813 CG LYS A 50 -12.321 2.087 2.740 1.00 0.00 C ATOM 814 CD LYS A 50 -13.235 1.810 3.937 1.00 0.00 C ATOM 815 CE LYS A 50 -13.277 0.304 4.214 1.00 0.00 C ATOM 816 NZ LYS A 50 -14.720 -0.022 4.397 1.00 0.00 N ATOM 0 H LYS A 50 -13.216 4.355 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.077 4.256 1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.401 3.944 2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.743 2.744 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.173 1.174 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.338 2.408 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.871 2.342 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.240 2.181 3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.848 -0.260 3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.701 0.052 5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.838 -1.054 4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.066 0.416 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.264 0.344 3.589 1.00 0.00 H new ATOM 830 N GLY A 51 -10.133 2.143 0.533 1.00 0.00 N ATOM 831 CA GLY A 51 -9.454 1.093 -0.279 1.00 0.00 C ATOM 832 C GLY A 51 -8.779 0.065 0.633 1.00 0.00 C ATOM 833 O GLY A 51 -8.427 0.354 1.762 1.00 0.00 O ATOM 0 H GLY A 51 -9.688 2.358 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.180 0.596 -0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.712 1.553 -0.931 1.00 0.00 H new ATOM 837 N ARG A 52 -8.593 -1.135 0.139 1.00 0.00 N ATOM 838 CA ARG A 52 -7.936 -2.201 0.953 1.00 0.00 C ATOM 839 C ARG A 52 -7.103 -3.118 0.046 1.00 0.00 C ATOM 840 O ARG A 52 -7.481 -3.405 -1.074 1.00 0.00 O ATOM 841 CB ARG A 52 -9.088 -2.982 1.594 1.00 0.00 C ATOM 842 CG ARG A 52 -8.528 -4.186 2.363 1.00 0.00 C ATOM 843 CD ARG A 52 -9.237 -4.312 3.714 1.00 0.00 C ATOM 844 NE ARG A 52 -10.559 -4.928 3.404 1.00 0.00 N ATOM 845 CZ ARG A 52 -11.458 -5.047 4.344 1.00 0.00 C ATOM 846 NH1 ARG A 52 -12.045 -3.982 4.826 1.00 0.00 N ATOM 847 NH2 ARG A 52 -11.766 -6.231 4.804 1.00 0.00 N ATOM 0 H ARG A 52 -8.871 -1.422 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.258 -1.791 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.648 -2.335 2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.784 -3.320 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.668 -5.098 1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.455 -4.066 2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.665 -4.933 4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.358 -3.338 4.188 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.761 -5.256 2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.801 -3.059 4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.747 -4.075 5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.305 -7.060 4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.468 -6.326 5.538 1.00 0.00 H new ATOM 861 N MET A 53 -5.974 -3.580 0.524 1.00 0.00 N ATOM 862 CA MET A 53 -5.121 -4.479 -0.309 1.00 0.00 C ATOM 863 C MET A 53 -4.450 -5.558 0.551 1.00 0.00 C ATOM 864 O MET A 53 -4.277 -5.403 1.746 1.00 0.00 O ATOM 865 CB MET A 53 -4.072 -3.562 -0.953 1.00 0.00 C ATOM 866 CG MET A 53 -3.027 -3.124 0.085 1.00 0.00 C ATOM 867 SD MET A 53 -1.365 -3.361 -0.594 1.00 0.00 S ATOM 868 CE MET A 53 -1.286 -5.158 -0.392 1.00 0.00 C ATOM 0 H MET A 53 -5.608 -3.373 1.453 1.00 0.00 H new ATOM 0 HA MET A 53 -5.709 -5.010 -1.057 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.580 -4.083 -1.774 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.560 -2.685 -1.379 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.178 -2.077 0.349 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.143 -3.704 1.001 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.274 -5.504 -0.603 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.554 -5.421 0.631 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.983 -5.633 -1.083 1.00 0.00 H new ATOM 878 N TRP A 54 -4.060 -6.643 -0.065 1.00 0.00 N ATOM 879 CA TRP A 54 -3.380 -7.748 0.682 1.00 0.00 C ATOM 880 C TRP A 54 -2.633 -8.655 -0.301 1.00 0.00 C ATOM 881 O TRP A 54 -2.577 -8.379 -1.484 1.00 0.00 O ATOM 882 CB TRP A 54 -4.499 -8.517 1.405 1.00 0.00 C ATOM 883 CG TRP A 54 -5.450 -9.118 0.414 1.00 0.00 C ATOM 884 CD1 TRP A 54 -5.286 -10.316 -0.198 1.00 0.00 C ATOM 885 CD2 TRP A 54 -6.709 -8.577 -0.081 1.00 0.00 C ATOM 886 NE1 TRP A 54 -6.362 -10.542 -1.037 1.00 0.00 N ATOM 887 CE2 TRP A 54 -7.268 -9.497 -0.999 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.414 -7.385 0.174 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -8.481 -9.246 -1.641 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.636 -7.130 -0.470 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.168 -8.058 -1.375 1.00 0.00 C ATOM 0 H TRP A 54 -4.184 -6.814 -1.063 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.644 -7.373 1.393 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.066 -9.302 2.025 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.038 -7.844 2.073 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.451 -10.985 -0.054 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.474 -11.376 -1.613 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.013 -6.662 0.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.886 -9.964 -2.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.169 -6.213 -0.266 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.108 -7.856 -1.867 1.00 0.00 H new ATOM 902 N CYS A 55 -2.053 -9.730 0.171 1.00 0.00 N ATOM 903 CA CYS A 55 -1.312 -10.638 -0.753 1.00 0.00 C ATOM 904 C CYS A 55 -1.698 -12.100 -0.499 1.00 0.00 C ATOM 905 O CYS A 55 -1.147 -12.740 0.376 1.00 0.00 O ATOM 906 CB CYS A 55 0.168 -10.406 -0.447 1.00 0.00 C ATOM 907 SG CYS A 55 0.671 -8.780 -1.064 1.00 0.00 S ATOM 0 H CYS A 55 -2.061 -10.016 1.150 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.545 -10.433 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.341 -10.467 0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.772 -11.185 -0.912 1.00 0.00 H new ATOM 912 N PRO A 56 -2.635 -12.583 -1.283 1.00 0.00 N ATOM 913 CA PRO A 56 -3.096 -13.990 -1.148 1.00 0.00 C ATOM 914 C PRO A 56 -2.042 -14.954 -1.715 1.00 0.00 C ATOM 915 O PRO A 56 -2.171 -15.461 -2.814 1.00 0.00 O ATOM 916 CB PRO A 56 -4.381 -14.027 -1.975 1.00 0.00 C ATOM 917 CG PRO A 56 -4.235 -12.922 -2.974 1.00 0.00 C ATOM 918 CD PRO A 56 -3.348 -11.872 -2.355 1.00 0.00 C ATOM 0 HA PRO A 56 -3.256 -14.295 -0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.504 -14.991 -2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.259 -13.876 -1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.799 -13.296 -3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.208 -12.502 -3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.654 -11.456 -3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.932 -11.040 -1.961 1.00 0.00 H new ATOM 926 N GLY A 57 -0.998 -15.202 -0.966 1.00 0.00 N ATOM 927 CA GLY A 57 0.077 -16.122 -1.440 1.00 0.00 C ATOM 928 C GLY A 57 1.417 -15.701 -0.828 1.00 0.00 C ATOM 929 O GLY A 57 2.172 -16.522 -0.344 1.00 0.00 O ATOM 0 H GLY A 57 -0.844 -14.803 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.157 -17.148 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.138 -16.097 -2.528 1.00 0.00 H new ATOM 933 N TRP A 58 1.715 -14.422 -0.846 1.00 0.00 N ATOM 934 CA TRP A 58 3.003 -13.934 -0.263 1.00 0.00 C ATOM 935 C TRP A 58 2.991 -14.096 1.262 1.00 0.00 C ATOM 936 O TRP A 58 3.882 -14.688 1.839 1.00 0.00 O ATOM 937 CB TRP A 58 3.081 -12.452 -0.648 1.00 0.00 C ATOM 938 CG TRP A 58 4.397 -11.870 -0.226 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.539 -12.572 -0.025 1.00 0.00 C ATOM 940 CD2 TRP A 58 4.723 -10.476 0.049 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.540 -11.697 0.357 1.00 0.00 N ATOM 942 CE2 TRP A 58 6.086 -10.394 0.416 1.00 0.00 C ATOM 943 CE3 TRP A 58 3.974 -9.286 0.017 1.00 0.00 C ATOM 944 CZ2 TRP A 58 6.685 -9.176 0.739 1.00 0.00 C ATOM 945 CZ3 TRP A 58 4.572 -8.059 0.341 1.00 0.00 C ATOM 946 CH2 TRP A 58 5.925 -8.004 0.701 1.00 0.00 C ATOM 0 H TRP A 58 1.119 -13.695 -1.241 1.00 0.00 H new ATOM 0 HA TRP A 58 3.861 -14.495 -0.634 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.957 -12.343 -1.725 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.266 -11.904 -0.176 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.649 -13.640 -0.144 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.497 -11.980 0.569 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.930 -9.317 -0.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 7.728 -9.139 1.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 3.986 -7.152 0.313 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.380 -7.056 0.949 1.00 0.00 H new ATOM 957 N THR A 59 1.982 -13.573 1.913 1.00 0.00 N ATOM 958 CA THR A 59 1.894 -13.686 3.397 1.00 0.00 C ATOM 959 C THR A 59 0.423 -13.616 3.837 1.00 0.00 C ATOM 960 O THR A 59 -0.479 -13.695 3.026 1.00 0.00 O ATOM 961 CB THR A 59 2.707 -12.498 3.943 1.00 0.00 C ATOM 962 OG1 THR A 59 2.687 -12.518 5.366 1.00 0.00 O ATOM 963 CG2 THR A 59 2.114 -11.176 3.441 1.00 0.00 C ATOM 0 H THR A 59 1.211 -13.069 1.474 1.00 0.00 H new ATOM 0 HA THR A 59 2.286 -14.631 3.772 1.00 0.00 H new ATOM 0 HB THR A 59 3.735 -12.583 3.591 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.147 -11.770 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.697 -10.343 3.834 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.141 -11.156 2.352 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.082 -11.088 3.780 1.00 0.00 H new ATOM 971 N ALA A 60 0.179 -13.470 5.112 1.00 0.00 N ATOM 972 CA ALA A 60 -1.230 -13.397 5.610 1.00 0.00 C ATOM 973 C ALA A 60 -1.491 -12.043 6.284 1.00 0.00 C ATOM 974 O ALA A 60 -2.069 -11.971 7.354 1.00 0.00 O ATOM 975 CB ALA A 60 -1.350 -14.542 6.620 1.00 0.00 C ATOM 0 H ALA A 60 0.896 -13.398 5.834 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.959 -13.487 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.358 -14.558 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.147 -15.490 6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.630 -14.394 7.425 1.00 0.00 H new ATOM 981 N ILE A 61 -1.075 -10.969 5.660 1.00 0.00 N ATOM 982 CA ILE A 61 -1.298 -9.614 6.252 1.00 0.00 C ATOM 983 C ILE A 61 -2.119 -8.751 5.284 1.00 0.00 C ATOM 984 O ILE A 61 -2.052 -8.920 4.080 1.00 0.00 O ATOM 985 CB ILE A 61 0.106 -9.023 6.448 1.00 0.00 C ATOM 986 CG1 ILE A 61 0.872 -9.850 7.488 1.00 0.00 C ATOM 987 CG2 ILE A 61 -0.003 -7.574 6.939 1.00 0.00 C ATOM 988 CD1 ILE A 61 2.366 -9.520 7.409 1.00 0.00 C ATOM 0 H ILE A 61 -0.589 -10.973 4.763 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.850 -9.657 7.191 1.00 0.00 H new ATOM 0 HB ILE A 61 0.637 -9.046 5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.494 -9.635 8.488 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.714 -10.914 7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.996 -7.160 7.076 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.544 -6.980 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.539 -7.551 7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.908 -10.109 8.149 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.739 -9.757 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.515 -8.459 7.609 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.887 -7.823 5.799 1.00 0.00 N ATOM 1001 CA ARG A 62 -3.705 -6.948 4.906 1.00 0.00 C ATOM 1002 C ARG A 62 -3.529 -5.475 5.278 1.00 0.00 C ATOM 1003 O ARG A 62 -3.065 -5.141 6.355 1.00 0.00 O ATOM 1004 CB ARG A 62 -5.166 -7.377 5.096 1.00 0.00 C ATOM 1005 CG ARG A 62 -5.450 -7.685 6.570 1.00 0.00 C ATOM 1006 CD ARG A 62 -6.962 -7.765 6.795 1.00 0.00 C ATOM 1007 NE ARG A 62 -7.192 -7.109 8.113 1.00 0.00 N ATOM 1008 CZ ARG A 62 -7.176 -7.821 9.210 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -6.034 -8.200 9.725 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -8.299 -8.154 9.788 1.00 0.00 N ATOM 0 H ARG A 62 -2.982 -7.634 6.797 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.393 -7.053 3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.831 -6.586 4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.374 -8.258 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.980 -8.627 6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.018 -6.910 7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.507 -7.255 6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.305 -8.799 6.804 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.362 -6.104 8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.158 -7.940 9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.020 -8.755 10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.188 -7.859 9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.287 -8.709 10.644 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.905 -4.596 4.388 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.775 -3.135 4.661 1.00 0.00 C ATOM 1026 C GLY A 63 -5.031 -2.408 4.176 1.00 0.00 C ATOM 1027 O GLY A 63 -5.732 -2.878 3.299 1.00 0.00 O ATOM 0 H GLY A 63 -4.300 -4.829 3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.634 -2.965 5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.895 -2.737 4.156 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.323 -1.264 4.740 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.532 -0.503 4.310 1.00 0.00 C ATOM 1033 C GLU A 64 -6.395 0.971 4.679 1.00 0.00 C ATOM 1034 O GLU A 64 -5.691 1.331 5.604 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.705 -1.150 5.053 1.00 0.00 C ATOM 1036 CG GLU A 64 -8.923 -0.217 5.044 1.00 0.00 C ATOM 1037 CD GLU A 64 -10.202 -1.046 5.156 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -10.594 -1.352 6.269 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -10.769 -1.364 4.123 1.00 0.00 O ATOM 0 H GLU A 64 -4.775 -0.825 5.480 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.675 -0.539 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.962 -2.099 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.416 -1.371 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.860 0.488 5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.937 0.371 4.126 1.00 0.00 H new ATOM 1046 N ALA A 65 -7.071 1.817 3.953 1.00 0.00 N ATOM 1047 CA ALA A 65 -7.003 3.282 4.240 1.00 0.00 C ATOM 1048 C ALA A 65 -8.120 4.027 3.500 1.00 0.00 C ATOM 1049 O ALA A 65 -8.588 3.592 2.465 1.00 0.00 O ATOM 1050 CB ALA A 65 -5.635 3.722 3.722 1.00 0.00 C ATOM 0 H ALA A 65 -7.671 1.558 3.170 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.130 3.498 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.507 4.790 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.853 3.172 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.568 3.518 2.653 1.00 0.00 H new ATOM 1056 N SER A 66 -8.546 5.151 4.026 1.00 0.00 N ATOM 1057 CA SER A 66 -9.632 5.933 3.356 1.00 0.00 C ATOM 1058 C SER A 66 -9.327 7.433 3.409 1.00 0.00 C ATOM 1059 O SER A 66 -8.689 7.916 4.326 1.00 0.00 O ATOM 1060 CB SER A 66 -10.910 5.634 4.145 1.00 0.00 C ATOM 1061 OG SER A 66 -10.981 4.245 4.441 1.00 0.00 O ATOM 0 H SER A 66 -8.189 5.560 4.889 1.00 0.00 H new ATOM 0 HA SER A 66 -9.727 5.658 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.922 6.213 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.784 5.937 3.568 1.00 0.00 H new ATOM 0 HG SER A 66 -11.595 4.101 5.191 1.00 0.00 H new ATOM 1067 N THR A 67 -9.796 8.170 2.434 1.00 0.00 N ATOM 1068 CA THR A 67 -9.559 9.649 2.408 1.00 0.00 C ATOM 1069 C THR A 67 -10.362 10.289 1.268 1.00 0.00 C ATOM 1070 O THR A 67 -10.829 9.611 0.371 1.00 0.00 O ATOM 1071 CB THR A 67 -8.050 9.828 2.177 1.00 0.00 C ATOM 1072 OG1 THR A 67 -7.737 11.221 2.179 1.00 0.00 O ATOM 1073 CG2 THR A 67 -7.644 9.200 0.837 1.00 0.00 C ATOM 0 H THR A 67 -10.337 7.809 1.648 1.00 0.00 H new ATOM 0 HA THR A 67 -9.876 10.129 3.334 1.00 0.00 H new ATOM 0 HB THR A 67 -7.499 9.330 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.448 11.493 1.283 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.573 9.332 0.683 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.880 8.136 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.190 9.685 0.028 1.00 0.00 H new ATOM 1081 N ARG A 68 -10.514 11.591 1.293 1.00 0.00 N ATOM 1082 CA ARG A 68 -11.277 12.283 0.205 1.00 0.00 C ATOM 1083 C ARG A 68 -10.564 12.097 -1.142 1.00 0.00 C ATOM 1084 O ARG A 68 -11.194 12.040 -2.182 1.00 0.00 O ATOM 1085 CB ARG A 68 -11.296 13.765 0.603 1.00 0.00 C ATOM 1086 CG ARG A 68 -12.468 14.029 1.557 1.00 0.00 C ATOM 1087 CD ARG A 68 -11.974 13.973 3.006 1.00 0.00 C ATOM 1088 NE ARG A 68 -13.054 14.617 3.808 1.00 0.00 N ATOM 1089 CZ ARG A 68 -12.892 15.829 4.271 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -13.222 16.857 3.534 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -12.402 16.008 5.469 1.00 0.00 N ATOM 0 H ARG A 68 -10.143 12.205 2.019 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.284 11.882 0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.356 14.035 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.390 14.389 -0.286 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.906 15.005 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -13.252 13.288 1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.805 12.945 3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.028 14.502 3.121 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.920 14.111 3.995 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.605 16.713 2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.096 17.803 3.893 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.147 15.203 6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.275 16.953 5.832 1.00 0.00 H new ATOM 1105 N SER A 69 -9.254 12.004 -1.127 1.00 0.00 N ATOM 1106 CA SER A 69 -8.485 11.820 -2.399 1.00 0.00 C ATOM 1107 C SER A 69 -8.800 10.456 -3.029 1.00 0.00 C ATOM 1108 O SER A 69 -8.862 9.446 -2.350 1.00 0.00 O ATOM 1109 CB SER A 69 -6.997 11.893 -2.013 1.00 0.00 C ATOM 1110 OG SER A 69 -6.854 12.022 -0.600 1.00 0.00 O ATOM 0 H SER A 69 -8.683 12.048 -0.283 1.00 0.00 H new ATOM 0 HA SER A 69 -8.749 12.583 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.482 10.996 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.527 12.741 -2.511 1.00 0.00 H new ATOM 0 HG SER A 69 -5.902 12.065 -0.370 1.00 0.00 H new ATOM 1116 N GLN A 70 -8.995 10.425 -4.326 1.00 0.00 N ATOM 1117 CA GLN A 70 -9.307 9.133 -5.019 1.00 0.00 C ATOM 1118 C GLN A 70 -8.031 8.295 -5.187 1.00 0.00 C ATOM 1119 O GLN A 70 -7.960 7.165 -4.743 1.00 0.00 O ATOM 1120 CB GLN A 70 -9.873 9.537 -6.386 1.00 0.00 C ATOM 1121 CG GLN A 70 -11.384 9.766 -6.273 1.00 0.00 C ATOM 1122 CD GLN A 70 -11.828 10.813 -7.299 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -11.552 10.683 -8.475 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -12.513 11.852 -6.903 1.00 0.00 N ATOM 0 H GLN A 70 -8.951 11.241 -4.937 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.011 8.523 -4.453 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.383 10.445 -6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.668 8.758 -7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.917 8.830 -6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.636 10.100 -5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.746 11.963 -5.916 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.815 12.552 -7.581 1.00 0.00 H new ATOM 1133 N SER A 71 -7.021 8.844 -5.818 1.00 0.00 N ATOM 1134 CA SER A 71 -5.747 8.085 -6.005 1.00 0.00 C ATOM 1135 C SER A 71 -4.948 8.068 -4.695 1.00 0.00 C ATOM 1136 O SER A 71 -4.237 7.124 -4.404 1.00 0.00 O ATOM 1137 CB SER A 71 -4.981 8.841 -7.093 1.00 0.00 C ATOM 1138 OG SER A 71 -4.155 7.930 -7.808 1.00 0.00 O ATOM 0 H SER A 71 -7.025 9.785 -6.211 1.00 0.00 H new ATOM 0 HA SER A 71 -5.924 7.047 -6.286 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.679 9.327 -7.774 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.372 9.627 -6.646 1.00 0.00 H new ATOM 0 HG SER A 71 -3.665 8.412 -8.506 1.00 0.00 H new ATOM 1144 N GLY A 72 -5.066 9.109 -3.902 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.325 9.167 -2.607 1.00 0.00 C ATOM 1146 C GLY A 72 -4.736 7.994 -1.711 1.00 0.00 C ATOM 1147 O GLY A 72 -3.912 7.422 -1.023 1.00 0.00 O ATOM 0 H GLY A 72 -5.648 9.923 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.251 9.134 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.533 10.110 -2.102 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.001 7.630 -1.713 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.456 6.486 -0.856 1.00 0.00 C ATOM 1153 C VAL A 73 -5.686 5.205 -1.212 1.00 0.00 C ATOM 1154 O VAL A 73 -5.374 4.404 -0.350 1.00 0.00 O ATOM 1155 CB VAL A 73 -7.966 6.330 -1.132 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.209 5.391 -2.317 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.648 5.753 0.111 1.00 0.00 C ATOM 0 H VAL A 73 -6.733 8.074 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.268 6.672 0.202 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.379 7.310 -1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.281 5.297 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.730 5.798 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.790 4.410 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.715 5.641 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.217 4.780 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.498 6.427 0.954 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.372 5.015 -2.473 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.614 3.794 -2.885 1.00 0.00 C ATOM 1169 C ALA A 74 -3.191 3.851 -2.320 1.00 0.00 C ATOM 1170 O ALA A 74 -2.658 2.860 -1.859 1.00 0.00 O ATOM 1171 CB ALA A 74 -4.594 3.824 -4.416 1.00 0.00 C ATOM 0 H ALA A 74 -5.609 5.654 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.070 2.877 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.052 2.955 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.616 3.805 -4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.099 4.734 -4.756 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.579 5.009 -2.338 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.199 5.144 -1.790 1.00 0.00 C ATOM 1179 C GLY A 75 -1.219 4.862 -0.285 1.00 0.00 C ATOM 1180 O GLY A 75 -0.302 4.277 0.253 1.00 0.00 O ATOM 0 H GLY A 75 -2.980 5.869 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.527 4.448 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.818 6.148 -1.978 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.265 5.268 0.397 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.350 5.014 1.866 1.00 0.00 C ATOM 1186 C LYS A 76 -2.577 3.521 2.135 1.00 0.00 C ATOM 1187 O LYS A 76 -2.023 2.961 3.057 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.546 5.840 2.348 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.400 6.135 3.844 1.00 0.00 C ATOM 1190 CD LYS A 76 -3.490 7.646 4.082 1.00 0.00 C ATOM 1191 CE LYS A 76 -2.115 8.189 4.492 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.274 8.116 3.261 1.00 0.00 N ATOM 0 H LYS A 76 -3.062 5.764 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.433 5.292 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.605 6.773 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.473 5.297 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.181 5.621 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.445 5.756 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.834 8.146 3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.222 7.858 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.190 9.214 4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.683 7.596 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.552 8.864 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.808 7.187 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.875 8.245 2.422 1.00 0.00 H new ATOM 1206 N THR A 77 -3.383 2.875 1.332 1.00 0.00 N ATOM 1207 CA THR A 77 -3.642 1.419 1.539 1.00 0.00 C ATOM 1208 C THR A 77 -2.361 0.615 1.278 1.00 0.00 C ATOM 1209 O THR A 77 -2.075 -0.349 1.965 1.00 0.00 O ATOM 1210 CB THR A 77 -4.739 1.067 0.523 1.00 0.00 C ATOM 1211 OG1 THR A 77 -5.963 1.661 0.930 1.00 0.00 O ATOM 1212 CG2 THR A 77 -4.913 -0.449 0.440 1.00 0.00 C ATOM 0 H THR A 77 -3.873 3.293 0.541 1.00 0.00 H new ATOM 0 HA THR A 77 -3.951 1.186 2.558 1.00 0.00 H new ATOM 0 HB THR A 77 -4.452 1.445 -0.458 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.010 2.579 0.589 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.693 -0.687 -0.283 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.975 -0.906 0.125 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.195 -0.837 1.419 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.589 1.010 0.298 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.325 0.279 -0.002 1.00 0.00 C ATOM 1222 C ALA A 78 0.767 0.678 0.995 1.00 0.00 C ATOM 1223 O ALA A 78 1.578 -0.138 1.393 1.00 0.00 O ATOM 1224 CB ALA A 78 0.060 0.702 -1.421 1.00 0.00 C ATOM 0 H ALA A 78 -1.781 1.808 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.448 -0.801 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.984 0.202 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.736 0.424 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.206 1.782 -1.452 1.00 0.00 H new ATOM 1230 N LYS A 79 0.788 1.924 1.413 1.00 0.00 N ATOM 1231 CA LYS A 79 1.827 2.363 2.392 1.00 0.00 C ATOM 1232 C LYS A 79 1.522 1.767 3.768 1.00 0.00 C ATOM 1233 O LYS A 79 2.416 1.352 4.482 1.00 0.00 O ATOM 1234 CB LYS A 79 1.744 3.892 2.435 1.00 0.00 C ATOM 1235 CG LYS A 79 3.115 4.469 2.803 1.00 0.00 C ATOM 1236 CD LYS A 79 2.988 5.360 4.044 1.00 0.00 C ATOM 1237 CE LYS A 79 3.871 6.602 3.875 1.00 0.00 C ATOM 1238 NZ LYS A 79 3.014 7.607 3.175 1.00 0.00 N ATOM 0 H LYS A 79 0.134 2.649 1.119 1.00 0.00 H new ATOM 0 HA LYS A 79 2.825 2.032 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.424 4.277 1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.998 4.206 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.820 3.660 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.512 5.047 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.949 5.656 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.287 4.807 4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.208 6.978 4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.763 6.373 3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.556 8.482 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.713 7.226 2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.176 7.813 3.755 1.00 0.00 H new ATOM 1252 N ASP A 80 0.262 1.705 4.138 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.105 1.117 5.463 1.00 0.00 C ATOM 1254 C ASP A 80 0.241 -0.376 5.474 1.00 0.00 C ATOM 1255 O ASP A 80 0.677 -0.911 6.477 1.00 0.00 O ATOM 1256 CB ASP A 80 -1.622 1.320 5.599 1.00 0.00 C ATOM 1257 CG ASP A 80 -1.951 2.770 5.996 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -1.156 3.656 5.711 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -3.008 2.969 6.572 1.00 0.00 O ATOM 0 H ASP A 80 -0.524 2.036 3.579 1.00 0.00 H new ATOM 0 HA ASP A 80 0.433 1.585 6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.111 1.078 4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.018 0.635 6.349 1.00 0.00 H new ATOM 1264 N PHE A 81 0.064 -1.046 4.360 1.00 0.00 N ATOM 1265 CA PHE A 81 0.398 -2.500 4.293 1.00 0.00 C ATOM 1266 C PHE A 81 1.917 -2.687 4.408 1.00 0.00 C ATOM 1267 O PHE A 81 2.388 -3.592 5.071 1.00 0.00 O ATOM 1268 CB PHE A 81 -0.114 -2.961 2.923 1.00 0.00 C ATOM 1269 CG PHE A 81 0.271 -4.404 2.685 1.00 0.00 C ATOM 1270 CD1 PHE A 81 -0.257 -5.417 3.496 1.00 0.00 C ATOM 1271 CD2 PHE A 81 1.154 -4.728 1.647 1.00 0.00 C ATOM 1272 CE1 PHE A 81 0.099 -6.751 3.270 1.00 0.00 C ATOM 1273 CE2 PHE A 81 1.508 -6.064 1.421 1.00 0.00 C ATOM 1274 CZ PHE A 81 0.982 -7.075 2.233 1.00 0.00 C ATOM 0 H PHE A 81 -0.298 -0.646 3.494 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.053 -3.076 5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.198 -2.853 2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.304 -2.330 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.939 -5.168 4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.562 -3.948 1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.308 -7.531 3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.187 -6.314 0.620 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.257 -8.105 2.060 1.00 0.00 H new ATOM 1284 N VAL A 82 2.683 -1.827 3.777 1.00 0.00 N ATOM 1285 CA VAL A 82 4.172 -1.940 3.858 1.00 0.00 C ATOM 1286 C VAL A 82 4.635 -1.661 5.294 1.00 0.00 C ATOM 1287 O VAL A 82 5.544 -2.296 5.792 1.00 0.00 O ATOM 1288 CB VAL A 82 4.719 -0.880 2.889 1.00 0.00 C ATOM 1289 CG1 VAL A 82 6.244 -0.792 3.019 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.359 -1.266 1.451 1.00 0.00 C ATOM 0 H VAL A 82 2.339 -1.052 3.210 1.00 0.00 H new ATOM 0 HA VAL A 82 4.527 -2.936 3.594 1.00 0.00 H new ATOM 0 HB VAL A 82 4.278 0.086 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.625 -0.039 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.507 -0.515 4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.686 -1.759 2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.747 -0.514 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.798 -2.235 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.275 -1.324 1.350 1.00 0.00 H new ATOM 1300 N ARG A 83 4.006 -0.723 5.966 1.00 0.00 N ATOM 1301 CA ARG A 83 4.399 -0.413 7.375 1.00 0.00 C ATOM 1302 C ARG A 83 4.131 -1.631 8.265 1.00 0.00 C ATOM 1303 O ARG A 83 4.913 -1.948 9.142 1.00 0.00 O ATOM 1304 CB ARG A 83 3.522 0.774 7.792 1.00 0.00 C ATOM 1305 CG ARG A 83 4.405 1.988 8.099 1.00 0.00 C ATOM 1306 CD ARG A 83 4.784 1.991 9.584 1.00 0.00 C ATOM 1307 NE ARG A 83 4.989 3.429 9.930 1.00 0.00 N ATOM 1308 CZ ARG A 83 4.228 4.004 10.821 1.00 0.00 C ATOM 1309 NH1 ARG A 83 4.462 3.823 12.095 1.00 0.00 N ATOM 1310 NH2 ARG A 83 3.234 4.761 10.437 1.00 0.00 N ATOM 0 H ARG A 83 3.239 -0.161 5.598 1.00 0.00 H new ATOM 0 HA ARG A 83 5.458 -0.173 7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.819 1.016 6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.931 0.511 8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.305 1.960 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.876 2.907 7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.996 1.547 10.193 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.689 1.410 9.761 1.00 0.00 H new ATOM 0 HE ARG A 83 5.725 3.963 9.469 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.239 3.233 12.392 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.868 4.272 12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.054 4.901 9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.638 5.211 11.132 1.00 0.00 H new ATOM 1324 N LYS A 84 3.043 -2.328 8.030 1.00 0.00 N ATOM 1325 CA LYS A 84 2.741 -3.540 8.848 1.00 0.00 C ATOM 1326 C LYS A 84 3.722 -4.659 8.478 1.00 0.00 C ATOM 1327 O LYS A 84 4.190 -5.394 9.328 1.00 0.00 O ATOM 1328 CB LYS A 84 1.306 -3.935 8.488 1.00 0.00 C ATOM 1329 CG LYS A 84 0.449 -3.961 9.757 1.00 0.00 C ATOM 1330 CD LYS A 84 -0.209 -5.336 9.907 1.00 0.00 C ATOM 1331 CE LYS A 84 -1.671 -5.257 9.457 1.00 0.00 C ATOM 1332 NZ LYS A 84 -2.427 -4.799 10.662 1.00 0.00 N ATOM 0 H LYS A 84 2.356 -2.108 7.309 1.00 0.00 H new ATOM 0 HA LYS A 84 2.840 -3.356 9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.892 -3.226 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.296 -4.914 8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.066 -3.746 10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.315 -3.185 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.327 -6.074 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.154 -5.665 10.945 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.791 -4.559 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.030 -6.227 9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.438 -4.722 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.301 -5.486 11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.069 -3.870 10.964 1.00 0.00 H new ATOM 1346 N ALA A 85 4.050 -4.777 7.211 1.00 0.00 N ATOM 1347 CA ALA A 85 5.018 -5.828 6.770 1.00 0.00 C ATOM 1348 C ALA A 85 6.414 -5.512 7.320 1.00 0.00 C ATOM 1349 O ALA A 85 7.165 -6.404 7.671 1.00 0.00 O ATOM 1350 CB ALA A 85 5.016 -5.761 5.242 1.00 0.00 C ATOM 0 H ALA A 85 3.686 -4.187 6.463 1.00 0.00 H new ATOM 0 HA ALA A 85 4.745 -6.820 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.705 -6.506 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.011 -5.961 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.330 -4.768 4.921 1.00 0.00 H new ATOM 1356 N PHE A 86 6.757 -4.247 7.412 1.00 0.00 N ATOM 1357 CA PHE A 86 8.097 -3.870 7.957 1.00 0.00 C ATOM 1358 C PHE A 86 8.158 -4.212 9.450 1.00 0.00 C ATOM 1359 O PHE A 86 9.171 -4.666 9.945 1.00 0.00 O ATOM 1360 CB PHE A 86 8.223 -2.356 7.739 1.00 0.00 C ATOM 1361 CG PHE A 86 9.384 -2.072 6.812 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.698 -2.276 7.251 1.00 0.00 C ATOM 1363 CD2 PHE A 86 9.146 -1.602 5.515 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.773 -2.010 6.392 1.00 0.00 C ATOM 1365 CE2 PHE A 86 10.220 -1.339 4.658 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.534 -1.542 5.096 1.00 0.00 C ATOM 0 H PHE A 86 6.167 -3.463 7.133 1.00 0.00 H new ATOM 0 HA PHE A 86 8.909 -4.406 7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.300 -1.962 7.314 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.375 -1.852 8.694 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.883 -2.638 8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.133 -1.442 5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.786 -2.167 6.731 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.035 -0.979 3.657 1.00 0.00 H new ATOM 0 HZ PHE A 86 12.362 -1.337 4.434 1.00 0.00 H new ATOM 1376 N GLN A 87 7.078 -4.006 10.166 1.00 0.00 N ATOM 1377 CA GLN A 87 7.068 -4.332 11.625 1.00 0.00 C ATOM 1378 C GLN A 87 7.184 -5.850 11.834 1.00 0.00 C ATOM 1379 O GLN A 87 7.862 -6.308 12.733 1.00 0.00 O ATOM 1380 CB GLN A 87 5.721 -3.826 12.143 1.00 0.00 C ATOM 1381 CG GLN A 87 5.837 -2.344 12.504 1.00 0.00 C ATOM 1382 CD GLN A 87 4.457 -1.686 12.423 1.00 0.00 C ATOM 1383 OE1 GLN A 87 3.475 -2.248 12.869 1.00 0.00 O ATOM 1384 NE2 GLN A 87 4.337 -0.511 11.867 1.00 0.00 N ATOM 0 H GLN A 87 6.204 -3.626 9.802 1.00 0.00 H new ATOM 0 HA GLN A 87 7.905 -3.872 12.150 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.951 -3.967 11.384 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.416 -4.401 13.017 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.245 -2.235 13.509 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.529 -1.847 11.824 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.159 -0.038 11.492 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.421 -0.066 11.807 1.00 0.00 H new ATOM 1393 N LYS A 88 6.528 -6.629 11.008 1.00 0.00 N ATOM 1394 CA LYS A 88 6.599 -8.117 11.159 1.00 0.00 C ATOM 1395 C LYS A 88 7.973 -8.632 10.708 1.00 0.00 C ATOM 1396 O LYS A 88 8.658 -9.314 11.446 1.00 0.00 O ATOM 1397 CB LYS A 88 5.489 -8.675 10.259 1.00 0.00 C ATOM 1398 CG LYS A 88 4.496 -9.477 11.107 1.00 0.00 C ATOM 1399 CD LYS A 88 5.076 -10.863 11.405 1.00 0.00 C ATOM 1400 CE LYS A 88 4.232 -11.551 12.485 1.00 0.00 C ATOM 1401 NZ LYS A 88 5.169 -12.481 13.180 1.00 0.00 N ATOM 0 H LYS A 88 5.947 -6.300 10.237 1.00 0.00 H new ATOM 0 HA LYS A 88 6.468 -8.428 12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.974 -7.860 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.919 -9.311 9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.290 -8.950 12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.547 -9.575 10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.087 -11.467 10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.109 -10.772 11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.812 -10.823 13.179 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.394 -12.092 12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.661 -12.987 13.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.548 -13.167 12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.952 -11.938 13.596 1.00 0.00 H new ATOM 1415 N GLY A 89 8.374 -8.308 9.504 1.00 0.00 N ATOM 1416 CA GLY A 89 9.696 -8.770 8.998 1.00 0.00 C ATOM 1417 C GLY A 89 9.538 -9.350 7.591 1.00 0.00 C ATOM 1418 O GLY A 89 9.930 -10.471 7.329 1.00 0.00 O ATOM 0 H GLY A 89 7.837 -7.740 8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.400 -7.938 8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.109 -9.524 9.668 1.00 0.00 H new ATOM 1422 N LEU A 90 8.969 -8.598 6.683 1.00 0.00 N ATOM 1423 CA LEU A 90 8.789 -9.107 5.290 1.00 0.00 C ATOM 1424 C LEU A 90 9.500 -8.191 4.288 1.00 0.00 C ATOM 1425 O LEU A 90 10.238 -8.648 3.437 1.00 0.00 O ATOM 1426 CB LEU A 90 7.275 -9.102 5.045 1.00 0.00 C ATOM 1427 CG LEU A 90 6.691 -10.486 5.351 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.211 -10.511 4.968 1.00 0.00 C ATOM 1429 CD2 LEU A 90 7.439 -11.557 4.547 1.00 0.00 C ATOM 0 H LEU A 90 8.621 -7.653 6.847 1.00 0.00 H new ATOM 0 HA LEU A 90 9.215 -10.103 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.799 -8.350 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.066 -8.831 4.010 1.00 0.00 H new ATOM 0 HG LEU A 90 6.800 -10.692 6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.795 -11.495 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.674 -9.755 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.107 -10.300 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.019 -12.538 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.336 -11.351 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.495 -11.544 4.818 1.00 0.00 H new ATOM 1441 N ILE A 91 9.281 -6.901 4.381 1.00 0.00 N ATOM 1442 CA ILE A 91 9.941 -5.958 3.432 1.00 0.00 C ATOM 1443 C ILE A 91 11.241 -5.417 4.041 1.00 0.00 C ATOM 1444 O ILE A 91 11.224 -4.672 5.003 1.00 0.00 O ATOM 1445 CB ILE A 91 8.923 -4.831 3.210 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.689 -5.396 2.494 1.00 0.00 C ATOM 1447 CG2 ILE A 91 9.548 -3.729 2.347 1.00 0.00 C ATOM 1448 CD1 ILE A 91 6.593 -4.330 2.427 1.00 0.00 C ATOM 0 H ILE A 91 8.674 -6.463 5.074 1.00 0.00 H new ATOM 0 HA ILE A 91 10.214 -6.439 2.493 1.00 0.00 H new ATOM 0 HB ILE A 91 8.632 -4.413 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.957 -5.718 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.322 -6.275 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.821 -2.932 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.427 -3.326 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.841 -4.144 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.720 -4.737 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.316 -4.029 3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.962 -3.463 1.878 1.00 0.00 H new ATOM 1460 N SER A 92 12.365 -5.786 3.484 1.00 0.00 N ATOM 1461 CA SER A 92 13.675 -5.295 4.018 1.00 0.00 C ATOM 1462 C SER A 92 13.996 -3.903 3.453 1.00 0.00 C ATOM 1463 O SER A 92 13.240 -3.347 2.677 1.00 0.00 O ATOM 1464 CB SER A 92 14.709 -6.319 3.546 1.00 0.00 C ATOM 1465 OG SER A 92 14.710 -7.428 4.435 1.00 0.00 O ATOM 0 H SER A 92 12.435 -6.409 2.679 1.00 0.00 H new ATOM 0 HA SER A 92 13.664 -5.199 5.104 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.475 -6.649 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.699 -5.864 3.512 1.00 0.00 H new ATOM 0 HG SER A 92 15.370 -8.087 4.135 1.00 0.00 H new ATOM 1471 N GLN A 93 15.114 -3.336 3.841 1.00 0.00 N ATOM 1472 CA GLN A 93 15.489 -1.981 3.333 1.00 0.00 C ATOM 1473 C GLN A 93 15.987 -2.076 1.885 1.00 0.00 C ATOM 1474 O GLN A 93 15.419 -1.481 0.990 1.00 0.00 O ATOM 1475 CB GLN A 93 16.604 -1.495 4.268 1.00 0.00 C ATOM 1476 CG GLN A 93 17.000 -0.060 3.904 1.00 0.00 C ATOM 1477 CD GLN A 93 15.968 0.919 4.470 1.00 0.00 C ATOM 1478 OE1 GLN A 93 14.939 1.149 3.868 1.00 0.00 O ATOM 1479 NE2 GLN A 93 16.201 1.508 5.611 1.00 0.00 N ATOM 0 H GLN A 93 15.782 -3.755 4.488 1.00 0.00 H new ATOM 0 HA GLN A 93 14.644 -1.293 3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.266 -1.537 5.304 1.00 0.00 H new ATOM 0 HB3 GLN A 93 17.470 -2.152 4.188 1.00 0.00 H new ATOM 0 HG2 GLN A 93 17.988 0.167 4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 93 17.061 0.047 2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 93 17.065 1.315 6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.519 2.161 5.996 1.00 0.00 H new ATOM 1488 N GLN A 94 17.042 -2.820 1.650 1.00 0.00 N ATOM 1489 CA GLN A 94 17.575 -2.957 0.257 1.00 0.00 C ATOM 1490 C GLN A 94 16.532 -3.629 -0.644 1.00 0.00 C ATOM 1491 O GLN A 94 16.374 -3.269 -1.794 1.00 0.00 O ATOM 1492 CB GLN A 94 18.822 -3.839 0.385 1.00 0.00 C ATOM 1493 CG GLN A 94 19.979 -3.017 0.966 1.00 0.00 C ATOM 1494 CD GLN A 94 20.471 -3.668 2.261 1.00 0.00 C ATOM 1495 OE1 GLN A 94 21.288 -4.566 2.231 1.00 0.00 O ATOM 1496 NE2 GLN A 94 20.008 -3.249 3.408 1.00 0.00 N ATOM 0 H GLN A 94 17.557 -3.338 2.362 1.00 0.00 H new ATOM 0 HA GLN A 94 17.808 -1.990 -0.189 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.611 -4.693 1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 94 19.100 -4.237 -0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 94 20.794 -2.957 0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 94 19.651 -1.996 1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 94 19.322 -2.495 3.436 1.00 0.00 H new ATOM 0 HE22 GLN A 94 20.333 -3.676 4.276 1.00 0.00 H new ATOM 1505 N GLU A 95 15.818 -4.598 -0.119 1.00 0.00 N ATOM 1506 CA GLU A 95 14.772 -5.301 -0.926 1.00 0.00 C ATOM 1507 C GLU A 95 13.777 -4.287 -1.501 1.00 0.00 C ATOM 1508 O GLU A 95 13.422 -4.347 -2.663 1.00 0.00 O ATOM 1509 CB GLU A 95 14.076 -6.234 0.067 1.00 0.00 C ATOM 1510 CG GLU A 95 13.411 -7.395 -0.677 1.00 0.00 C ATOM 1511 CD GLU A 95 12.540 -8.190 0.300 1.00 0.00 C ATOM 1512 OE1 GLU A 95 11.532 -7.656 0.734 1.00 0.00 O ATOM 1513 OE2 GLU A 95 12.896 -9.317 0.600 1.00 0.00 O ATOM 0 H GLU A 95 15.917 -4.933 0.839 1.00 0.00 H new ATOM 0 HA GLU A 95 15.194 -5.844 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.800 -6.619 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.328 -5.680 0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.803 -7.015 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.170 -8.043 -1.116 1.00 0.00 H new ATOM 1520 N ALA A 96 13.334 -3.349 -0.696 1.00 0.00 N ATOM 1521 CA ALA A 96 12.373 -2.319 -1.195 1.00 0.00 C ATOM 1522 C ALA A 96 13.026 -1.498 -2.310 1.00 0.00 C ATOM 1523 O ALA A 96 12.396 -1.174 -3.298 1.00 0.00 O ATOM 1524 CB ALA A 96 12.059 -1.435 0.015 1.00 0.00 C ATOM 0 H ALA A 96 13.598 -3.254 0.285 1.00 0.00 H new ATOM 0 HA ALA A 96 11.468 -2.763 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.357 -0.654 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.617 -2.043 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.979 -0.978 0.380 1.00 0.00 H new ATOM 1530 N ASN A 97 14.289 -1.172 -2.163 1.00 0.00 N ATOM 1531 CA ASN A 97 14.989 -0.383 -3.222 1.00 0.00 C ATOM 1532 C ASN A 97 15.086 -1.206 -4.508 1.00 0.00 C ATOM 1533 O ASN A 97 14.937 -0.685 -5.596 1.00 0.00 O ATOM 1534 CB ASN A 97 16.385 -0.093 -2.660 1.00 0.00 C ATOM 1535 CG ASN A 97 16.848 1.290 -3.126 1.00 0.00 C ATOM 1536 OD1 ASN A 97 17.075 2.168 -2.318 1.00 0.00 O ATOM 1537 ND2 ASN A 97 17.000 1.527 -4.402 1.00 0.00 N ATOM 0 H ASN A 97 14.863 -1.419 -1.356 1.00 0.00 H new ATOM 0 HA ASN A 97 14.458 0.537 -3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.365 -0.133 -1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.089 -0.855 -2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.308 2.447 -4.717 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.810 0.792 -5.083 1.00 0.00 H new ATOM 1544 N GLN A 98 15.326 -2.491 -4.392 1.00 0.00 N ATOM 1545 CA GLN A 98 15.417 -3.348 -5.612 1.00 0.00 C ATOM 1546 C GLN A 98 14.057 -3.387 -6.315 1.00 0.00 C ATOM 1547 O GLN A 98 13.975 -3.304 -7.527 1.00 0.00 O ATOM 1548 CB GLN A 98 15.813 -4.740 -5.106 1.00 0.00 C ATOM 1549 CG GLN A 98 17.282 -4.728 -4.670 1.00 0.00 C ATOM 1550 CD GLN A 98 17.559 -5.931 -3.762 1.00 0.00 C ATOM 1551 OE1 GLN A 98 17.359 -5.863 -2.567 1.00 0.00 O ATOM 1552 NE2 GLN A 98 18.015 -7.038 -4.284 1.00 0.00 N ATOM 0 H GLN A 98 15.462 -2.980 -3.507 1.00 0.00 H new ATOM 0 HA GLN A 98 16.142 -2.971 -6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.177 -5.029 -4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.662 -5.480 -5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 98 17.932 -4.763 -5.545 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.507 -3.802 -4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 98 18.184 -7.097 -5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.202 -7.844 -3.687 1.00 0.00 H new ATOM 1561 N TRP A 99 12.985 -3.484 -5.560 1.00 0.00 N ATOM 1562 CA TRP A 99 11.630 -3.497 -6.186 1.00 0.00 C ATOM 1563 C TRP A 99 11.339 -2.117 -6.783 1.00 0.00 C ATOM 1564 O TRP A 99 10.776 -2.005 -7.855 1.00 0.00 O ATOM 1565 CB TRP A 99 10.648 -3.812 -5.056 1.00 0.00 C ATOM 1566 CG TRP A 99 9.302 -4.103 -5.644 1.00 0.00 C ATOM 1567 CD1 TRP A 99 9.031 -5.117 -6.497 1.00 0.00 C ATOM 1568 CD2 TRP A 99 8.048 -3.386 -5.449 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.692 -5.069 -6.838 1.00 0.00 N ATOM 1570 CE2 TRP A 99 7.043 -4.021 -6.216 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.687 -2.259 -4.687 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.728 -3.554 -6.229 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.365 -1.790 -4.698 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.388 -2.436 -5.468 1.00 0.00 C ATOM 0 H TRP A 99 12.994 -3.554 -4.542 1.00 0.00 H new ATOM 0 HA TRP A 99 11.551 -4.231 -6.988 1.00 0.00 H new ATOM 0 HB2 TRP A 99 11.000 -4.668 -4.480 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.584 -2.969 -4.368 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.744 -5.845 -6.854 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.239 -5.727 -7.472 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.432 -1.753 -4.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.979 -4.055 -6.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.098 -0.925 -4.109 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.373 -2.068 -5.472 1.00 0.00 H new ATOM 1585 N LEU A 100 11.736 -1.070 -6.096 1.00 0.00 N ATOM 1586 CA LEU A 100 11.507 0.313 -6.626 1.00 0.00 C ATOM 1587 C LEU A 100 12.115 0.424 -8.027 1.00 0.00 C ATOM 1588 O LEU A 100 11.529 1.005 -8.921 1.00 0.00 O ATOM 1589 CB LEU A 100 12.223 1.264 -5.656 1.00 0.00 C ATOM 1590 CG LEU A 100 11.342 1.515 -4.426 1.00 0.00 C ATOM 1591 CD1 LEU A 100 12.179 2.168 -3.323 1.00 0.00 C ATOM 1592 CD2 LEU A 100 10.188 2.448 -4.803 1.00 0.00 C ATOM 0 H LEU A 100 12.208 -1.114 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 100 10.447 0.554 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 100 13.177 0.835 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.444 2.208 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 100 10.942 0.566 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 100 11.553 2.347 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 100 13.002 1.507 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 100 12.579 3.116 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.563 2.625 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.589 3.396 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.590 1.987 -5.589 1.00 0.00 H new ATOM 1604 N SER A 101 13.281 -0.147 -8.227 1.00 0.00 N ATOM 1605 CA SER A 101 13.925 -0.096 -9.574 1.00 0.00 C ATOM 1606 C SER A 101 13.177 -1.023 -10.544 1.00 0.00 C ATOM 1607 O SER A 101 12.912 -0.662 -11.675 1.00 0.00 O ATOM 1608 CB SER A 101 15.359 -0.590 -9.358 1.00 0.00 C ATOM 1609 OG SER A 101 15.994 0.204 -8.362 1.00 0.00 O ATOM 0 H SER A 101 13.812 -0.646 -7.513 1.00 0.00 H new ATOM 0 HA SER A 101 13.906 0.906 -10.003 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.352 -1.636 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.918 -0.534 -10.292 1.00 0.00 H new ATOM 0 HG SER A 101 15.719 -0.104 -7.473 1.00 0.00 H new ATOM 1615 N SER A 102 12.833 -2.210 -10.104 1.00 0.00 N ATOM 1616 CA SER A 102 12.099 -3.164 -10.986 1.00 0.00 C ATOM 1617 C SER A 102 11.041 -3.928 -10.177 1.00 0.00 C ATOM 1618 O SER A 102 9.868 -3.761 -10.470 1.00 0.00 O ATOM 1619 CB SER A 102 13.169 -4.119 -11.523 1.00 0.00 C ATOM 1620 OG SER A 102 13.518 -3.739 -12.848 1.00 0.00 O ATOM 1621 OXT SER A 102 11.419 -4.662 -9.277 1.00 0.00 O ATOM 0 H SER A 102 13.032 -2.558 -9.166 1.00 0.00 H new ATOM 0 HA SER A 102 11.571 -2.657 -11.794 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.050 -4.094 -10.882 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.796 -5.143 -11.513 1.00 0.00 H new ATOM 0 HG SER A 102 14.204 -4.348 -13.193 1.00 0.00 H new TER 1627 SER A 102