USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 599 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 41 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 18 CYS SG : rot 180:sc= 0.0374 USER MOD Set 2.2: A 20 SER OG : rot 95:sc= 0.0371 USER MOD Set 3.1: A 16 MET CE :methyl 136:sc= -2.81 (180deg=-2.25!) USER MOD Set 3.2: A 45 GLN : amide:sc= -0.161 K(o=-3,f=-3.6) USER MOD Single : A 1 ALA N :NH3+ -144:sc= -2.13! (180deg=-3.21!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0302) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00994 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot -71:sc= 0.738 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.988 K(o=0.99,f=-0.02) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 51 TYR OH : rot 120:sc= -1.61 USER MOD Single : A 52 GLN :FLIP amide:sc=-0.000784 F(o=-0.53,f=-0.00078) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -1.24 F(o=-2.1!,f=-1.2) USER MOD Single : A 66 ASN : amide:sc= -0.027 X(o=-0.027,f=-0.37) USER MOD Single : A 68 MET CE :methyl -179:sc= -0.125 (180deg=-0.126) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.029 8.478 1.954 1.00 22.01 N ATOM 2 CA ALA A 1 0.005 7.440 1.944 1.00 45.41 C ATOM 3 C ALA A 1 0.625 6.060 1.754 1.00 72.04 C ATOM 4 O ALA A 1 0.058 5.052 2.173 1.00 25.42 O ATOM 5 CB ALA A 1 -1.016 7.718 0.851 1.00 33.12 C ATOM 0 H1 ALA A 1 0.764 9.221 2.632 1.00 22.01 H new ATOM 0 H2 ALA A 1 1.941 8.064 2.234 1.00 22.01 H new ATOM 0 H3 ALA A 1 1.114 8.891 1.003 1.00 22.01 H new ATOM 0 HA ALA A 1 -0.501 7.452 2.910 1.00 45.41 H new ATOM 0 HB1 ALA A 1 -1.775 6.936 0.854 1.00 33.12 H new ATOM 0 HB2 ALA A 1 -1.489 8.683 1.032 1.00 33.12 H new ATOM 0 HB3 ALA A 1 -0.517 7.735 -0.118 1.00 33.12 H new ATOM 11 N GLY A 2 1.792 6.022 1.117 1.00 54.30 N ATOM 12 CA GLY A 2 2.468 4.760 0.882 1.00 53.05 C ATOM 13 C GLY A 2 3.469 4.427 1.970 1.00 72.31 C ATOM 14 O GLY A 2 3.358 4.914 3.096 1.00 64.25 O ATOM 0 H GLY A 2 2.281 6.843 0.760 1.00 54.30 H new ATOM 0 HA2 GLY A 2 1.728 3.962 0.816 1.00 53.05 H new ATOM 0 HA3 GLY A 2 2.980 4.799 -0.079 1.00 53.05 H new ATOM 18 N HIS A 3 4.448 3.593 1.636 1.00 63.45 N ATOM 19 CA HIS A 3 5.473 3.193 2.594 1.00 50.52 C ATOM 20 C HIS A 3 6.864 3.567 2.089 1.00 34.23 C ATOM 21 O HIS A 3 7.607 4.281 2.761 1.00 11.14 O ATOM 22 CB HIS A 3 5.399 1.689 2.854 1.00 22.33 C ATOM 23 CG HIS A 3 4.254 1.288 3.733 1.00 43.31 C ATOM 24 ND1 HIS A 3 4.127 1.706 5.041 1.00 43.22 N ATOM 25 CD2 HIS A 3 3.179 0.504 3.484 1.00 43.41 C ATOM 26 CE1 HIS A 3 3.025 1.195 5.559 1.00 53.31 C ATOM 27 NE2 HIS A 3 2.431 0.462 4.634 1.00 13.44 N ATOM 0 H HIS A 3 4.554 3.181 0.709 1.00 63.45 H new ATOM 0 HA HIS A 3 5.290 3.724 3.528 1.00 50.52 H new ATOM 0 HB2 HIS A 3 5.314 1.168 1.901 1.00 22.33 H new ATOM 0 HB3 HIS A 3 6.331 1.362 3.314 1.00 22.33 H new ATOM 0 HD2 HIS A 3 2.952 0.005 2.554 1.00 43.41 H new ATOM 0 HE1 HIS A 3 2.670 1.350 6.567 1.00 53.31 H new ATOM 0 HE2 HIS A 3 1.558 -0.052 4.755 1.00 13.44 H new ATOM 35 N MET A 4 7.208 3.078 0.902 1.00 2.05 N ATOM 36 CA MET A 4 8.510 3.361 0.308 1.00 14.24 C ATOM 37 C MET A 4 8.417 4.525 -0.673 1.00 44.21 C ATOM 38 O MET A 4 9.196 4.611 -1.622 1.00 60.53 O ATOM 39 CB MET A 4 9.050 2.120 -0.404 1.00 31.30 C ATOM 40 CG MET A 4 9.234 0.923 0.516 1.00 43.44 C ATOM 41 SD MET A 4 9.851 -0.532 -0.353 1.00 14.42 S ATOM 42 CE MET A 4 11.517 -0.632 0.296 1.00 21.51 C ATOM 0 H MET A 4 6.604 2.485 0.333 1.00 2.05 H new ATOM 0 HA MET A 4 9.195 3.638 1.109 1.00 14.24 H new ATOM 0 HB2 MET A 4 8.368 1.847 -1.209 1.00 31.30 H new ATOM 0 HB3 MET A 4 10.007 2.364 -0.866 1.00 31.30 H new ATOM 0 HG2 MET A 4 9.928 1.186 1.314 1.00 43.44 H new ATOM 0 HG3 MET A 4 8.281 0.683 0.988 1.00 43.44 H new ATOM 0 HE1 MET A 4 12.030 -1.485 -0.148 1.00 21.51 H new ATOM 0 HE2 MET A 4 12.058 0.283 0.053 1.00 21.51 H new ATOM 0 HE3 MET A 4 11.479 -0.754 1.378 1.00 21.51 H new ATOM 52 N GLN A 5 7.461 5.418 -0.438 1.00 24.15 N ATOM 53 CA GLN A 5 7.268 6.576 -1.302 1.00 62.24 C ATOM 54 C GLN A 5 7.989 7.799 -0.744 1.00 73.51 C ATOM 55 O GLN A 5 7.733 8.926 -1.164 1.00 50.35 O ATOM 56 CB GLN A 5 5.777 6.877 -1.462 1.00 32.42 C ATOM 57 CG GLN A 5 5.442 7.637 -2.735 1.00 23.11 C ATOM 58 CD GLN A 5 5.134 6.717 -3.900 1.00 13.31 C ATOM 59 OE1 GLN A 5 4.081 6.080 -3.941 1.00 13.11 O ATOM 60 NE2 GLN A 5 6.053 6.643 -4.856 1.00 14.33 N ATOM 0 H GLN A 5 6.808 5.362 0.344 1.00 24.15 H new ATOM 0 HA GLN A 5 7.691 6.342 -2.279 1.00 62.24 H new ATOM 0 HB2 GLN A 5 5.223 5.939 -1.453 1.00 32.42 H new ATOM 0 HB3 GLN A 5 5.438 7.456 -0.603 1.00 32.42 H new ATOM 0 HG2 GLN A 5 4.585 8.285 -2.552 1.00 23.11 H new ATOM 0 HG3 GLN A 5 6.279 8.283 -2.999 1.00 23.11 H new ATOM 0 HE21 GLN A 5 6.912 7.189 -4.781 1.00 14.33 H new ATOM 0 HE22 GLN A 5 5.900 6.041 -5.665 1.00 14.33 H new ATOM 69 N GLU A 6 8.890 7.566 0.205 1.00 12.23 N ATOM 70 CA GLU A 6 9.646 8.650 0.821 1.00 20.05 C ATOM 71 C GLU A 6 10.317 9.517 -0.240 1.00 2.02 C ATOM 72 O GLU A 6 10.820 9.011 -1.242 1.00 44.24 O ATOM 73 CB GLU A 6 10.700 8.087 1.777 1.00 0.13 C ATOM 74 CG GLU A 6 11.556 6.993 1.163 1.00 62.52 C ATOM 75 CD GLU A 6 12.563 6.420 2.142 1.00 51.50 C ATOM 76 OE1 GLU A 6 13.071 7.187 2.987 1.00 61.32 O ATOM 77 OE2 GLU A 6 12.842 5.206 2.063 1.00 20.30 O ATOM 0 H GLU A 6 9.114 6.638 0.564 1.00 12.23 H new ATOM 0 HA GLU A 6 8.949 9.270 1.384 1.00 20.05 H new ATOM 0 HB2 GLU A 6 11.347 8.899 2.110 1.00 0.13 H new ATOM 0 HB3 GLU A 6 10.202 7.693 2.663 1.00 0.13 H new ATOM 0 HG2 GLU A 6 10.911 6.192 0.801 1.00 62.52 H new ATOM 0 HG3 GLU A 6 12.084 7.393 0.297 1.00 62.52 H new ATOM 84 N ALA A 7 10.320 10.826 -0.011 1.00 53.20 N ATOM 85 CA ALA A 7 10.930 11.764 -0.946 1.00 34.14 C ATOM 86 C ALA A 7 11.918 12.682 -0.235 1.00 51.52 C ATOM 87 O ALA A 7 11.788 12.944 0.961 1.00 44.23 O ATOM 88 CB ALA A 7 9.856 12.582 -1.648 1.00 3.31 C ATOM 0 H ALA A 7 9.907 11.261 0.814 1.00 53.20 H new ATOM 0 HA ALA A 7 11.480 11.191 -1.692 1.00 34.14 H new ATOM 0 HB1 ALA A 7 10.325 13.278 -2.343 1.00 3.31 H new ATOM 0 HB2 ALA A 7 9.191 11.915 -2.196 1.00 3.31 H new ATOM 0 HB3 ALA A 7 9.282 13.140 -0.908 1.00 3.31 H new ATOM 94 N VAL A 8 12.906 13.169 -0.979 1.00 43.21 N ATOM 95 CA VAL A 8 13.917 14.059 -0.420 1.00 51.22 C ATOM 96 C VAL A 8 13.951 15.389 -1.165 1.00 71.35 C ATOM 97 O VAL A 8 13.731 15.440 -2.376 1.00 3.33 O ATOM 98 CB VAL A 8 15.317 13.420 -0.469 1.00 62.45 C ATOM 99 CG1 VAL A 8 16.314 14.255 0.319 1.00 30.14 C ATOM 100 CG2 VAL A 8 15.270 11.993 0.057 1.00 53.20 C ATOM 0 H VAL A 8 13.028 12.962 -1.970 1.00 43.21 H new ATOM 0 HA VAL A 8 13.643 14.235 0.620 1.00 51.22 H new ATOM 0 HB VAL A 8 15.647 13.390 -1.507 1.00 62.45 H new ATOM 0 HG11 VAL A 8 17.297 13.787 0.273 1.00 30.14 H new ATOM 0 HG12 VAL A 8 16.368 15.256 -0.108 1.00 30.14 H new ATOM 0 HG13 VAL A 8 15.992 14.321 1.358 1.00 30.14 H new ATOM 0 HG21 VAL A 8 16.268 11.557 0.015 1.00 53.20 H new ATOM 0 HG22 VAL A 8 14.919 11.997 1.089 1.00 53.20 H new ATOM 0 HG23 VAL A 8 14.590 11.402 -0.556 1.00 53.20 H new ATOM 110 N VAL A 9 14.228 16.464 -0.434 1.00 63.34 N ATOM 111 CA VAL A 9 14.293 17.795 -1.026 1.00 61.31 C ATOM 112 C VAL A 9 15.648 18.445 -0.768 1.00 55.45 C ATOM 113 O VAL A 9 16.152 18.433 0.355 1.00 75.33 O ATOM 114 CB VAL A 9 13.183 18.709 -0.474 1.00 3.01 C ATOM 115 CG1 VAL A 9 13.170 20.039 -1.212 1.00 63.12 C ATOM 116 CG2 VAL A 9 11.830 18.022 -0.572 1.00 54.01 C ATOM 0 H VAL A 9 14.411 16.439 0.569 1.00 63.34 H new ATOM 0 HA VAL A 9 14.151 17.672 -2.100 1.00 61.31 H new ATOM 0 HB VAL A 9 13.389 18.907 0.578 1.00 3.01 H new ATOM 0 HG11 VAL A 9 12.379 20.671 -0.808 1.00 63.12 H new ATOM 0 HG12 VAL A 9 14.132 20.535 -1.085 1.00 63.12 H new ATOM 0 HG13 VAL A 9 12.989 19.865 -2.273 1.00 63.12 H new ATOM 0 HG21 VAL A 9 11.057 18.682 -0.178 1.00 54.01 H new ATOM 0 HG22 VAL A 9 11.613 17.792 -1.615 1.00 54.01 H new ATOM 0 HG23 VAL A 9 11.848 17.098 0.007 1.00 54.01 H new ATOM 126 N LYS A 10 16.233 19.015 -1.817 1.00 20.35 N ATOM 127 CA LYS A 10 17.529 19.673 -1.705 1.00 42.23 C ATOM 128 C LYS A 10 17.385 21.185 -1.848 1.00 5.04 C ATOM 129 O LYS A 10 16.746 21.673 -2.781 1.00 4.13 O ATOM 130 CB LYS A 10 18.489 19.139 -2.771 1.00 32.10 C ATOM 131 CG LYS A 10 17.863 19.023 -4.150 1.00 51.21 C ATOM 132 CD LYS A 10 17.271 17.643 -4.380 1.00 20.32 C ATOM 133 CE LYS A 10 18.296 16.689 -4.974 1.00 73.23 C ATOM 134 NZ LYS A 10 18.526 16.953 -6.422 1.00 14.34 N ATOM 0 H LYS A 10 15.830 19.034 -2.754 1.00 20.35 H new ATOM 0 HA LYS A 10 17.935 19.455 -0.717 1.00 42.23 H new ATOM 0 HB2 LYS A 10 19.356 19.797 -2.829 1.00 32.10 H new ATOM 0 HB3 LYS A 10 18.852 18.159 -2.462 1.00 32.10 H new ATOM 0 HG2 LYS A 10 17.084 19.777 -4.261 1.00 51.21 H new ATOM 0 HG3 LYS A 10 18.616 19.228 -4.911 1.00 51.21 H new ATOM 0 HD2 LYS A 10 16.903 17.242 -3.436 1.00 20.32 H new ATOM 0 HD3 LYS A 10 16.414 17.720 -5.049 1.00 20.32 H new ATOM 0 HE2 LYS A 10 19.238 16.785 -4.433 1.00 73.23 H new ATOM 0 HE3 LYS A 10 17.956 15.662 -4.842 1.00 73.23 H new ATOM 0 HZ1 LYS A 10 19.082 16.176 -6.833 1.00 14.34 H new ATOM 0 HZ2 LYS A 10 17.611 17.021 -6.912 1.00 14.34 H new ATOM 0 HZ3 LYS A 10 19.046 17.847 -6.534 1.00 14.34 H new ATOM 148 N LEU A 11 17.984 21.922 -0.918 1.00 62.43 N ATOM 149 CA LEU A 11 17.924 23.379 -0.941 1.00 43.01 C ATOM 150 C LEU A 11 19.325 23.982 -0.937 1.00 64.23 C ATOM 151 O LEU A 11 20.251 23.422 -0.349 1.00 11.41 O ATOM 152 CB LEU A 11 17.131 23.895 0.261 1.00 42.33 C ATOM 153 CG LEU A 11 15.654 23.503 0.309 1.00 41.22 C ATOM 154 CD1 LEU A 11 15.496 22.082 0.827 1.00 13.45 C ATOM 155 CD2 LEU A 11 14.871 24.479 1.175 1.00 40.44 C ATOM 0 H LEU A 11 18.516 21.534 -0.139 1.00 62.43 H new ATOM 0 HA LEU A 11 17.420 23.683 -1.859 1.00 43.01 H new ATOM 0 HB2 LEU A 11 17.612 23.534 1.170 1.00 42.33 H new ATOM 0 HB3 LEU A 11 17.198 24.983 0.275 1.00 42.33 H new ATOM 0 HG LEU A 11 15.253 23.545 -0.704 1.00 41.22 H new ATOM 0 HD11 LEU A 11 14.438 21.820 0.854 1.00 13.45 H new ATOM 0 HD12 LEU A 11 16.023 21.393 0.167 1.00 13.45 H new ATOM 0 HD13 LEU A 11 15.913 22.012 1.832 1.00 13.45 H new ATOM 0 HD21 LEU A 11 13.822 24.184 1.198 1.00 40.44 H new ATOM 0 HD22 LEU A 11 15.273 24.469 2.188 1.00 40.44 H new ATOM 0 HD23 LEU A 11 14.957 25.483 0.760 1.00 40.44 H new ATOM 167 N ARG A 12 19.473 25.127 -1.596 1.00 23.32 N ATOM 168 CA ARG A 12 20.761 25.806 -1.667 1.00 42.14 C ATOM 169 C ARG A 12 20.975 26.696 -0.447 1.00 10.15 C ATOM 170 O ARG A 12 20.205 27.624 -0.199 1.00 34.10 O ATOM 171 CB ARG A 12 20.850 26.644 -2.944 1.00 73.24 C ATOM 172 CG ARG A 12 22.240 26.673 -3.559 1.00 34.33 C ATOM 173 CD ARG A 12 22.310 25.822 -4.817 1.00 24.41 C ATOM 174 NE ARG A 12 22.087 24.406 -4.534 1.00 5.34 N ATOM 175 CZ ARG A 12 21.843 23.499 -5.472 1.00 72.41 C ATOM 176 NH1 ARG A 12 21.790 23.857 -6.748 1.00 24.44 N ATOM 177 NH2 ARG A 12 21.650 22.230 -5.135 1.00 65.44 N ATOM 0 H ARG A 12 18.717 25.603 -2.088 1.00 23.32 H new ATOM 0 HA ARG A 12 21.543 25.047 -1.683 1.00 42.14 H new ATOM 0 HB2 ARG A 12 20.146 26.250 -3.677 1.00 73.24 H new ATOM 0 HB3 ARG A 12 20.539 27.665 -2.721 1.00 73.24 H new ATOM 0 HG2 ARG A 12 22.512 27.701 -3.798 1.00 34.33 H new ATOM 0 HG3 ARG A 12 22.968 26.311 -2.833 1.00 34.33 H new ATOM 0 HD2 ARG A 12 21.565 26.170 -5.532 1.00 24.41 H new ATOM 0 HD3 ARG A 12 23.286 25.949 -5.286 1.00 24.41 H new ATOM 0 HE ARG A 12 22.121 24.098 -3.562 1.00 5.34 H new ATOM 0 HH11 ARG A 12 21.937 24.832 -7.011 1.00 24.44 H new ATOM 0 HH12 ARG A 12 21.602 23.158 -7.466 1.00 24.44 H new ATOM 0 HH21 ARG A 12 21.689 21.951 -4.155 1.00 65.44 H new ATOM 0 HH22 ARG A 12 21.463 21.534 -5.856 1.00 65.44 H new ATOM 191 N VAL A 13 22.026 26.407 0.314 1.00 61.51 N ATOM 192 CA VAL A 13 22.342 27.180 1.509 1.00 51.45 C ATOM 193 C VAL A 13 23.362 28.271 1.203 1.00 42.21 C ATOM 194 O VAL A 13 24.274 28.074 0.401 1.00 24.31 O ATOM 195 CB VAL A 13 22.890 26.280 2.632 1.00 51.22 C ATOM 196 CG1 VAL A 13 22.868 27.015 3.964 1.00 71.34 C ATOM 197 CG2 VAL A 13 22.093 24.987 2.714 1.00 65.33 C ATOM 0 H VAL A 13 22.674 25.642 0.124 1.00 61.51 H new ATOM 0 HA VAL A 13 21.412 27.639 1.844 1.00 51.45 H new ATOM 0 HB VAL A 13 23.925 26.028 2.400 1.00 51.22 H new ATOM 0 HG11 VAL A 13 23.259 26.363 4.746 1.00 71.34 H new ATOM 0 HG12 VAL A 13 23.486 27.911 3.896 1.00 71.34 H new ATOM 0 HG13 VAL A 13 21.844 27.298 4.206 1.00 71.34 H new ATOM 0 HG21 VAL A 13 22.494 24.363 3.513 1.00 65.33 H new ATOM 0 HG22 VAL A 13 21.048 25.216 2.922 1.00 65.33 H new ATOM 0 HG23 VAL A 13 22.166 24.454 1.766 1.00 65.33 H new ATOM 207 N GLU A 14 23.201 29.422 1.848 1.00 2.24 N ATOM 208 CA GLU A 14 24.109 30.545 1.645 1.00 62.13 C ATOM 209 C GLU A 14 25.062 30.695 2.827 1.00 0.50 C ATOM 210 O GLU A 14 26.146 31.263 2.697 1.00 72.24 O ATOM 211 CB GLU A 14 23.318 31.839 1.445 1.00 42.42 C ATOM 212 CG GLU A 14 24.192 33.047 1.149 1.00 72.24 C ATOM 213 CD GLU A 14 23.916 33.646 -0.217 1.00 32.41 C ATOM 214 OE1 GLU A 14 23.613 32.876 -1.152 1.00 54.35 O ATOM 215 OE2 GLU A 14 24.003 34.884 -0.349 1.00 51.53 O ATOM 0 H GLU A 14 22.451 29.601 2.515 1.00 2.24 H new ATOM 0 HA GLU A 14 24.698 30.346 0.750 1.00 62.13 H new ATOM 0 HB2 GLU A 14 22.613 31.701 0.625 1.00 42.42 H new ATOM 0 HB3 GLU A 14 22.730 32.037 2.341 1.00 42.42 H new ATOM 0 HG2 GLU A 14 24.028 33.806 1.914 1.00 72.24 H new ATOM 0 HG3 GLU A 14 25.241 32.756 1.209 1.00 72.24 H new ATOM 222 N GLY A 15 24.648 30.183 3.982 1.00 23.11 N ATOM 223 CA GLY A 15 25.475 30.271 5.171 1.00 24.13 C ATOM 224 C GLY A 15 26.518 29.172 5.235 1.00 12.21 C ATOM 225 O GLY A 15 27.588 29.287 4.638 1.00 12.42 O ATOM 0 H GLY A 15 23.755 29.709 4.115 1.00 23.11 H new ATOM 0 HA2 GLY A 15 25.972 31.241 5.193 1.00 24.13 H new ATOM 0 HA3 GLY A 15 24.841 30.218 6.056 1.00 24.13 H new ATOM 229 N MET A 16 26.206 28.104 5.962 1.00 1.43 N ATOM 230 CA MET A 16 27.125 26.981 6.102 1.00 30.32 C ATOM 231 C MET A 16 28.565 27.468 6.225 1.00 1.23 C ATOM 232 O MET A 16 29.501 26.785 5.809 1.00 61.25 O ATOM 233 CB MET A 16 26.995 26.036 4.906 1.00 34.21 C ATOM 234 CG MET A 16 27.608 26.585 3.628 1.00 23.43 C ATOM 235 SD MET A 16 26.386 27.341 2.540 1.00 51.02 S ATOM 236 CE MET A 16 27.409 28.499 1.635 1.00 42.34 C ATOM 0 H MET A 16 25.324 27.993 6.463 1.00 1.43 H new ATOM 0 HA MET A 16 26.864 26.442 7.013 1.00 30.32 H new ATOM 0 HB2 MET A 16 27.473 25.087 5.150 1.00 34.21 H new ATOM 0 HB3 MET A 16 25.940 25.826 4.732 1.00 34.21 H new ATOM 0 HG2 MET A 16 28.368 27.323 3.883 1.00 23.43 H new ATOM 0 HG3 MET A 16 28.113 25.778 3.096 1.00 23.43 H new ATOM 0 HE1 MET A 16 27.155 28.458 0.576 1.00 42.34 H new ATOM 0 HE2 MET A 16 27.237 29.508 2.011 1.00 42.34 H new ATOM 0 HE3 MET A 16 28.459 28.237 1.767 1.00 42.34 H new ATOM 246 N THR A 17 28.737 28.655 6.800 1.00 33.30 N ATOM 247 CA THR A 17 30.062 29.234 6.976 1.00 23.04 C ATOM 248 C THR A 17 31.009 28.246 7.647 1.00 24.33 C ATOM 249 O THR A 17 32.218 28.270 7.409 1.00 14.15 O ATOM 250 CB THR A 17 30.005 30.524 7.817 1.00 74.41 C ATOM 251 OG1 THR A 17 28.932 31.357 7.362 1.00 24.25 O ATOM 252 CG2 THR A 17 31.318 31.286 7.729 1.00 21.23 C ATOM 0 H THR A 17 27.974 29.234 7.152 1.00 33.30 H new ATOM 0 HA THR A 17 30.436 29.474 5.981 1.00 23.04 H new ATOM 0 HB THR A 17 29.834 30.247 8.857 1.00 74.41 H new ATOM 0 HG1 THR A 17 28.901 32.174 7.902 1.00 24.25 H new ATOM 0 HG21 THR A 17 31.254 32.193 8.331 1.00 21.23 H new ATOM 0 HG22 THR A 17 32.128 30.659 8.102 1.00 21.23 H new ATOM 0 HG23 THR A 17 31.515 31.553 6.691 1.00 21.23 H new ATOM 260 N CYS A 18 30.454 27.377 8.485 1.00 1.43 N ATOM 261 CA CYS A 18 31.250 26.380 9.191 1.00 25.22 C ATOM 262 C CYS A 18 30.753 24.971 8.884 1.00 24.12 C ATOM 263 O CYS A 18 29.565 24.761 8.643 1.00 10.14 O ATOM 264 CB CYS A 18 31.204 26.633 10.699 1.00 55.13 C ATOM 265 SG CYS A 18 32.684 26.092 11.585 1.00 72.34 S ATOM 0 H CYS A 18 29.456 27.343 8.692 1.00 1.43 H new ATOM 0 HA CYS A 18 32.281 26.465 8.848 1.00 25.22 H new ATOM 0 HB2 CYS A 18 31.059 27.699 10.873 1.00 55.13 H new ATOM 0 HB3 CYS A 18 30.337 26.121 11.116 1.00 55.13 H new ATOM 0 HG CYS A 18 32.550 26.350 12.852 1.00 72.34 H new ATOM 271 N GLN A 19 31.672 24.010 8.893 1.00 34.03 N ATOM 272 CA GLN A 19 31.326 22.621 8.613 1.00 2.34 C ATOM 273 C GLN A 19 31.085 21.849 9.906 1.00 25.12 C ATOM 274 O GLN A 19 31.275 20.634 9.959 1.00 34.23 O ATOM 275 CB GLN A 19 32.437 21.951 7.804 1.00 64.51 C ATOM 276 CG GLN A 19 33.817 22.099 8.425 1.00 50.43 C ATOM 277 CD GLN A 19 34.885 21.339 7.663 1.00 33.24 C ATOM 278 OE1 GLN A 19 35.125 20.159 7.921 1.00 64.13 O ATOM 279 NE2 GLN A 19 35.532 22.012 6.719 1.00 31.23 N ATOM 0 H GLN A 19 32.660 24.168 9.091 1.00 34.03 H new ATOM 0 HA GLN A 19 30.405 22.612 8.030 1.00 2.34 H new ATOM 0 HB2 GLN A 19 32.208 20.891 7.697 1.00 64.51 H new ATOM 0 HB3 GLN A 19 32.452 22.377 6.801 1.00 64.51 H new ATOM 0 HG2 GLN A 19 34.084 23.155 8.461 1.00 50.43 H new ATOM 0 HG3 GLN A 19 33.788 21.743 9.455 1.00 50.43 H new ATOM 0 HE21 GLN A 19 35.300 22.989 6.539 1.00 31.23 H new ATOM 0 HE22 GLN A 19 36.261 21.552 6.174 1.00 31.23 H new ATOM 288 N SER A 20 30.668 22.562 10.947 1.00 54.40 N ATOM 289 CA SER A 20 30.405 21.944 12.241 1.00 0.54 C ATOM 290 C SER A 20 28.931 22.070 12.614 1.00 31.22 C ATOM 291 O SER A 20 28.412 21.288 13.412 1.00 25.11 O ATOM 292 CB SER A 20 31.273 22.589 13.324 1.00 41.44 C ATOM 293 OG SER A 20 32.625 22.676 12.909 1.00 63.44 O ATOM 0 H SER A 20 30.505 23.569 10.920 1.00 54.40 H new ATOM 0 HA SER A 20 30.654 20.885 12.167 1.00 0.54 H new ATOM 0 HB2 SER A 20 30.895 23.585 13.552 1.00 41.44 H new ATOM 0 HB3 SER A 20 31.208 22.005 14.242 1.00 41.44 H new ATOM 0 HG SER A 20 32.792 23.560 12.521 1.00 63.44 H new ATOM 299 N CYS A 21 28.262 23.058 12.031 1.00 1.44 N ATOM 300 CA CYS A 21 26.847 23.288 12.302 1.00 3.11 C ATOM 301 C CYS A 21 26.010 22.087 11.876 1.00 61.42 C ATOM 302 O CYS A 21 25.001 21.765 12.504 1.00 25.11 O ATOM 303 CB CYS A 21 26.365 24.545 11.576 1.00 61.55 C ATOM 304 SG CYS A 21 26.622 24.507 9.786 1.00 21.02 S ATOM 0 H CYS A 21 28.676 23.713 11.368 1.00 1.44 H new ATOM 0 HA CYS A 21 26.726 23.429 13.376 1.00 3.11 H new ATOM 0 HB2 CYS A 21 25.303 24.683 11.777 1.00 61.55 H new ATOM 0 HB3 CYS A 21 26.883 25.411 11.988 1.00 61.55 H new ATOM 0 HG CYS A 21 27.890 24.627 9.527 1.00 21.02 H new ATOM 310 N VAL A 22 26.434 21.427 10.803 1.00 45.05 N ATOM 311 CA VAL A 22 25.724 20.261 10.291 1.00 11.12 C ATOM 312 C VAL A 22 25.459 19.249 11.400 1.00 12.12 C ATOM 313 O VAL A 22 24.355 18.718 11.519 1.00 14.23 O ATOM 314 CB VAL A 22 26.514 19.573 9.162 1.00 55.33 C ATOM 315 CG1 VAL A 22 25.783 18.329 8.680 1.00 10.03 C ATOM 316 CG2 VAL A 22 26.750 20.541 8.012 1.00 22.00 C ATOM 0 H VAL A 22 27.267 21.680 10.271 1.00 45.05 H new ATOM 0 HA VAL A 22 24.774 20.618 9.894 1.00 11.12 H new ATOM 0 HB VAL A 22 27.483 19.266 9.555 1.00 55.33 H new ATOM 0 HG11 VAL A 22 26.356 17.856 7.882 1.00 10.03 H new ATOM 0 HG12 VAL A 22 25.669 17.630 9.508 1.00 10.03 H new ATOM 0 HG13 VAL A 22 24.799 18.608 8.303 1.00 10.03 H new ATOM 0 HG21 VAL A 22 27.310 20.039 7.223 1.00 22.00 H new ATOM 0 HG22 VAL A 22 25.791 20.879 7.618 1.00 22.00 H new ATOM 0 HG23 VAL A 22 27.318 21.399 8.370 1.00 22.00 H new ATOM 326 N SER A 23 26.479 18.987 12.211 1.00 61.33 N ATOM 327 CA SER A 23 26.358 18.035 13.309 1.00 12.41 C ATOM 328 C SER A 23 25.147 18.361 14.178 1.00 30.14 C ATOM 329 O SER A 23 24.439 17.464 14.637 1.00 2.31 O ATOM 330 CB SER A 23 27.628 18.043 14.161 1.00 4.02 C ATOM 331 OG SER A 23 28.280 16.786 14.116 1.00 64.31 O ATOM 0 H SER A 23 27.399 19.421 12.128 1.00 61.33 H new ATOM 0 HA SER A 23 26.222 17.041 12.883 1.00 12.41 H new ATOM 0 HB2 SER A 23 28.304 18.820 13.804 1.00 4.02 H new ATOM 0 HB3 SER A 23 27.376 18.289 15.193 1.00 4.02 H new ATOM 0 HG SER A 23 29.090 16.818 14.667 1.00 64.31 H new ATOM 337 N SER A 24 24.916 19.651 14.401 1.00 75.24 N ATOM 338 CA SER A 24 23.793 20.096 15.218 1.00 41.32 C ATOM 339 C SER A 24 22.467 19.831 14.511 1.00 23.20 C ATOM 340 O SER A 24 21.464 19.511 15.150 1.00 63.23 O ATOM 341 CB SER A 24 23.926 21.587 15.535 1.00 55.25 C ATOM 342 OG SER A 24 25.014 21.828 16.409 1.00 1.03 O ATOM 0 H SER A 24 25.491 20.406 14.028 1.00 75.24 H new ATOM 0 HA SER A 24 23.807 19.530 16.150 1.00 41.32 H new ATOM 0 HB2 SER A 24 24.067 22.147 14.611 1.00 55.25 H new ATOM 0 HB3 SER A 24 23.004 21.949 15.989 1.00 55.25 H new ATOM 0 HG SER A 24 25.078 22.788 16.594 1.00 1.03 H new ATOM 348 N ILE A 25 22.471 19.966 13.189 1.00 4.12 N ATOM 349 CA ILE A 25 21.270 19.740 12.395 1.00 43.00 C ATOM 350 C ILE A 25 20.824 18.284 12.475 1.00 65.13 C ATOM 351 O ILE A 25 19.645 17.976 12.306 1.00 2.02 O ATOM 352 CB ILE A 25 21.493 20.117 10.918 1.00 34.14 C ATOM 353 CG1 ILE A 25 22.108 21.514 10.813 1.00 31.10 C ATOM 354 CG2 ILE A 25 20.180 20.051 10.152 1.00 42.14 C ATOM 355 CD1 ILE A 25 21.273 22.593 11.467 1.00 23.31 C ATOM 0 H ILE A 25 23.293 20.231 12.646 1.00 4.12 H new ATOM 0 HA ILE A 25 20.491 20.379 12.811 1.00 43.00 H new ATOM 0 HB ILE A 25 22.186 19.402 10.475 1.00 34.14 H new ATOM 0 HG12 ILE A 25 23.096 21.502 11.272 1.00 31.10 H new ATOM 0 HG13 ILE A 25 22.248 21.762 9.761 1.00 31.10 H new ATOM 0 HG21 ILE A 25 20.353 20.320 9.110 1.00 42.14 H new ATOM 0 HG22 ILE A 25 19.779 19.039 10.204 1.00 42.14 H new ATOM 0 HG23 ILE A 25 19.466 20.747 10.593 1.00 42.14 H new ATOM 0 HD11 ILE A 25 21.770 23.556 11.354 1.00 23.31 H new ATOM 0 HD12 ILE A 25 20.293 22.632 10.992 1.00 23.31 H new ATOM 0 HD13 ILE A 25 21.154 22.369 12.527 1.00 23.31 H new ATOM 367 N GLU A 26 21.776 17.393 12.735 1.00 61.34 N ATOM 368 CA GLU A 26 21.480 15.969 12.838 1.00 63.52 C ATOM 369 C GLU A 26 20.522 15.694 13.993 1.00 54.30 C ATOM 370 O GLU A 26 19.670 14.810 13.911 1.00 51.53 O ATOM 371 CB GLU A 26 22.771 15.170 13.031 1.00 31.31 C ATOM 372 CG GLU A 26 22.963 14.066 12.004 1.00 3.33 C ATOM 373 CD GLU A 26 23.837 12.938 12.517 1.00 34.23 C ATOM 374 OE1 GLU A 26 23.315 12.072 13.251 1.00 64.42 O ATOM 375 OE2 GLU A 26 25.040 12.921 12.186 1.00 63.31 O ATOM 0 H GLU A 26 22.757 17.632 12.878 1.00 61.34 H new ATOM 0 HA GLU A 26 21.002 15.656 11.910 1.00 63.52 H new ATOM 0 HB2 GLU A 26 23.621 15.851 12.983 1.00 31.31 H new ATOM 0 HB3 GLU A 26 22.771 14.731 14.029 1.00 31.31 H new ATOM 0 HG2 GLU A 26 21.990 13.666 11.720 1.00 3.33 H new ATOM 0 HG3 GLU A 26 23.410 14.486 11.103 1.00 3.33 H new ATOM 382 N GLY A 27 20.668 16.459 15.071 1.00 42.54 N ATOM 383 CA GLY A 27 19.810 16.284 16.228 1.00 61.45 C ATOM 384 C GLY A 27 18.354 16.572 15.919 1.00 63.43 C ATOM 385 O GLY A 27 17.456 15.977 16.514 1.00 73.51 O ATOM 0 H GLY A 27 21.366 17.197 15.163 1.00 42.54 H new ATOM 0 HA2 GLY A 27 19.905 15.262 16.596 1.00 61.45 H new ATOM 0 HA3 GLY A 27 20.146 16.943 17.028 1.00 61.45 H new ATOM 389 N LYS A 28 18.119 17.488 14.986 1.00 1.42 N ATOM 390 CA LYS A 28 16.762 17.856 14.599 1.00 63.34 C ATOM 391 C LYS A 28 16.013 16.652 14.036 1.00 15.31 C ATOM 392 O LYS A 28 14.833 16.452 14.326 1.00 11.20 O ATOM 393 CB LYS A 28 16.793 18.981 13.562 1.00 50.01 C ATOM 394 CG LYS A 28 16.994 20.360 14.167 1.00 61.34 C ATOM 395 CD LYS A 28 18.429 20.565 14.623 1.00 31.51 C ATOM 396 CE LYS A 28 18.563 20.405 16.130 1.00 54.12 C ATOM 397 NZ LYS A 28 18.242 21.667 16.852 1.00 52.53 N ATOM 0 H LYS A 28 18.851 17.990 14.483 1.00 1.42 H new ATOM 0 HA LYS A 28 16.238 18.205 15.489 1.00 63.34 H new ATOM 0 HB2 LYS A 28 17.595 18.785 12.850 1.00 50.01 H new ATOM 0 HB3 LYS A 28 15.859 18.972 13.001 1.00 50.01 H new ATOM 0 HG2 LYS A 28 16.732 21.122 13.433 1.00 61.34 H new ATOM 0 HG3 LYS A 28 16.320 20.488 15.014 1.00 61.34 H new ATOM 0 HD2 LYS A 28 19.078 19.847 14.121 1.00 31.51 H new ATOM 0 HD3 LYS A 28 18.767 21.559 14.330 1.00 31.51 H new ATOM 0 HE2 LYS A 28 17.898 19.612 16.472 1.00 54.12 H new ATOM 0 HE3 LYS A 28 19.579 20.096 16.373 1.00 54.12 H new ATOM 0 HZ1 LYS A 28 18.345 21.517 17.876 1.00 52.53 H new ATOM 0 HZ2 LYS A 28 18.893 22.418 16.545 1.00 52.53 H new ATOM 0 HZ3 LYS A 28 17.264 21.949 16.640 1.00 52.53 H new ATOM 411 N VAL A 29 16.705 15.853 13.231 1.00 30.41 N ATOM 412 CA VAL A 29 16.105 14.667 12.630 1.00 2.32 C ATOM 413 C VAL A 29 15.447 13.788 13.688 1.00 51.43 C ATOM 414 O VAL A 29 14.324 13.318 13.507 1.00 55.10 O ATOM 415 CB VAL A 29 17.152 13.835 11.866 1.00 54.04 C ATOM 416 CG1 VAL A 29 16.569 12.491 11.455 1.00 3.05 C ATOM 417 CG2 VAL A 29 17.656 14.600 10.651 1.00 30.21 C ATOM 0 H VAL A 29 17.682 16.005 12.980 1.00 30.41 H new ATOM 0 HA VAL A 29 15.347 15.016 11.929 1.00 2.32 H new ATOM 0 HB VAL A 29 17.998 13.650 12.528 1.00 54.04 H new ATOM 0 HG11 VAL A 29 17.323 11.917 10.916 1.00 3.05 H new ATOM 0 HG12 VAL A 29 16.261 11.941 12.344 1.00 3.05 H new ATOM 0 HG13 VAL A 29 15.705 12.651 10.810 1.00 3.05 H new ATOM 0 HG21 VAL A 29 18.395 13.998 10.123 1.00 30.21 H new ATOM 0 HG22 VAL A 29 16.821 14.816 9.985 1.00 30.21 H new ATOM 0 HG23 VAL A 29 18.114 15.535 10.974 1.00 30.21 H new ATOM 427 N ARG A 30 16.153 13.571 14.792 1.00 25.00 N ATOM 428 CA ARG A 30 15.638 12.748 15.879 1.00 20.42 C ATOM 429 C ARG A 30 14.396 13.381 16.499 1.00 73.22 C ATOM 430 O ARG A 30 13.565 12.693 17.093 1.00 62.12 O ATOM 431 CB ARG A 30 16.712 12.550 16.951 1.00 15.20 C ATOM 432 CG ARG A 30 16.446 11.368 17.869 1.00 53.12 C ATOM 433 CD ARG A 30 17.087 10.095 17.338 1.00 52.41 C ATOM 434 NE ARG A 30 17.190 9.064 18.367 1.00 41.22 N ATOM 435 CZ ARG A 30 17.624 7.831 18.131 1.00 42.24 C ATOM 436 NH1 ARG A 30 17.994 7.478 16.907 1.00 34.12 N ATOM 437 NH2 ARG A 30 17.690 6.949 19.119 1.00 33.24 N ATOM 0 H ARG A 30 17.084 13.954 14.958 1.00 25.00 H new ATOM 0 HA ARG A 30 15.363 11.777 15.467 1.00 20.42 H new ATOM 0 HB2 ARG A 30 17.678 12.411 16.465 1.00 15.20 H new ATOM 0 HB3 ARG A 30 16.785 13.457 17.552 1.00 15.20 H new ATOM 0 HG2 ARG A 30 16.834 11.584 18.864 1.00 53.12 H new ATOM 0 HG3 ARG A 30 15.371 11.220 17.971 1.00 53.12 H new ATOM 0 HD2 ARG A 30 16.500 9.715 16.502 1.00 52.41 H new ATOM 0 HD3 ARG A 30 18.081 10.323 16.952 1.00 52.41 H new ATOM 0 HE ARG A 30 16.914 9.304 19.319 1.00 41.22 H new ATOM 0 HH11 ARG A 30 17.946 8.154 16.145 1.00 34.12 H new ATOM 0 HH12 ARG A 30 18.327 6.531 16.728 1.00 34.12 H new ATOM 0 HH21 ARG A 30 17.407 7.217 20.062 1.00 33.24 H new ATOM 0 HH22 ARG A 30 18.023 6.003 18.936 1.00 33.24 H new ATOM 451 N LYS A 31 14.275 14.696 16.357 1.00 42.42 N ATOM 452 CA LYS A 31 13.135 15.424 16.901 1.00 32.12 C ATOM 453 C LYS A 31 12.018 15.538 15.868 1.00 64.50 C ATOM 454 O LYS A 31 10.876 15.853 16.205 1.00 4.00 O ATOM 455 CB LYS A 31 13.565 16.820 17.358 1.00 21.42 C ATOM 456 CG LYS A 31 14.698 16.806 18.369 1.00 23.05 C ATOM 457 CD LYS A 31 14.318 16.035 19.622 1.00 25.43 C ATOM 458 CE LYS A 31 13.139 16.677 20.337 1.00 44.44 C ATOM 459 NZ LYS A 31 13.205 16.472 21.810 1.00 13.21 N ATOM 0 H LYS A 31 14.954 15.280 15.869 1.00 42.42 H new ATOM 0 HA LYS A 31 12.757 14.868 17.759 1.00 32.12 H new ATOM 0 HB2 LYS A 31 13.873 17.399 16.488 1.00 21.42 H new ATOM 0 HB3 LYS A 31 12.707 17.331 17.794 1.00 21.42 H new ATOM 0 HG2 LYS A 31 15.583 16.357 17.919 1.00 23.05 H new ATOM 0 HG3 LYS A 31 14.961 17.829 18.636 1.00 23.05 H new ATOM 0 HD2 LYS A 31 14.068 15.008 19.356 1.00 25.43 H new ATOM 0 HD3 LYS A 31 15.173 15.991 20.296 1.00 25.43 H new ATOM 0 HE2 LYS A 31 13.120 17.745 20.120 1.00 44.44 H new ATOM 0 HE3 LYS A 31 12.209 16.257 19.953 1.00 44.44 H new ATOM 0 HZ1 LYS A 31 12.384 16.924 22.261 1.00 13.21 H new ATOM 0 HZ2 LYS A 31 13.197 15.453 22.019 1.00 13.21 H new ATOM 0 HZ3 LYS A 31 14.080 16.895 22.181 1.00 13.21 H new ATOM 473 N LEU A 32 12.355 15.277 14.609 1.00 13.45 N ATOM 474 CA LEU A 32 11.380 15.349 13.527 1.00 72.14 C ATOM 475 C LEU A 32 10.462 14.130 13.539 1.00 42.44 C ATOM 476 O LEU A 32 10.914 13.004 13.745 1.00 52.41 O ATOM 477 CB LEU A 32 12.093 15.451 12.177 1.00 23.14 C ATOM 478 CG LEU A 32 12.208 16.855 11.583 1.00 1.23 C ATOM 479 CD1 LEU A 32 10.828 17.437 11.318 1.00 63.24 C ATOM 480 CD2 LEU A 32 13.002 17.763 12.511 1.00 41.41 C ATOM 0 H LEU A 32 13.295 15.014 14.313 1.00 13.45 H new ATOM 0 HA LEU A 32 10.772 16.241 13.678 1.00 72.14 H new ATOM 0 HB2 LEU A 32 13.097 15.042 12.287 1.00 23.14 H new ATOM 0 HB3 LEU A 32 11.567 14.818 11.462 1.00 23.14 H new ATOM 0 HG LEU A 32 12.739 16.785 10.634 1.00 1.23 H new ATOM 0 HD11 LEU A 32 10.930 18.437 10.895 1.00 63.24 H new ATOM 0 HD12 LEU A 32 10.293 16.799 10.615 1.00 63.24 H new ATOM 0 HD13 LEU A 32 10.271 17.493 12.253 1.00 63.24 H new ATOM 0 HD21 LEU A 32 13.074 18.758 12.072 1.00 41.41 H new ATOM 0 HD22 LEU A 32 12.499 17.827 13.476 1.00 41.41 H new ATOM 0 HD23 LEU A 32 14.003 17.355 12.651 1.00 41.41 H new ATOM 492 N GLN A 33 9.173 14.364 13.314 1.00 3.51 N ATOM 493 CA GLN A 33 8.193 13.285 13.298 1.00 40.22 C ATOM 494 C GLN A 33 8.140 12.619 11.927 1.00 74.01 C ATOM 495 O GLN A 33 8.205 11.395 11.817 1.00 13.43 O ATOM 496 CB GLN A 33 6.809 13.819 13.673 1.00 64.21 C ATOM 497 CG GLN A 33 5.733 12.746 13.709 1.00 52.21 C ATOM 498 CD GLN A 33 4.397 13.276 14.192 1.00 22.23 C ATOM 499 OE1 GLN A 33 4.248 14.469 14.456 1.00 42.30 O ATOM 500 NE2 GLN A 33 3.416 12.389 14.311 1.00 22.33 N ATOM 0 H GLN A 33 8.784 15.291 13.140 1.00 3.51 H new ATOM 0 HA GLN A 33 8.498 12.540 14.032 1.00 40.22 H new ATOM 0 HB2 GLN A 33 6.866 14.298 14.651 1.00 64.21 H new ATOM 0 HB3 GLN A 33 6.519 14.589 12.957 1.00 64.21 H new ATOM 0 HG2 GLN A 33 5.613 12.324 12.711 1.00 52.21 H new ATOM 0 HG3 GLN A 33 6.056 11.935 14.362 1.00 52.21 H new ATOM 0 HE21 GLN A 33 3.583 11.409 14.081 1.00 22.33 H new ATOM 0 HE22 GLN A 33 2.495 12.687 14.632 1.00 22.33 H new ATOM 509 N GLY A 34 8.020 13.433 10.883 1.00 41.43 N ATOM 510 CA GLY A 34 7.959 12.905 9.533 1.00 63.44 C ATOM 511 C GLY A 34 9.333 12.721 8.920 1.00 64.25 C ATOM 512 O GLY A 34 9.681 11.627 8.473 1.00 0.43 O ATOM 0 H GLY A 34 7.964 14.449 10.948 1.00 41.43 H new ATOM 0 HA2 GLY A 34 7.438 11.948 9.544 1.00 63.44 H new ATOM 0 HA3 GLY A 34 7.373 13.579 8.908 1.00 63.44 H new ATOM 516 N VAL A 35 10.117 13.794 8.895 1.00 3.14 N ATOM 517 CA VAL A 35 11.461 13.747 8.332 1.00 61.33 C ATOM 518 C VAL A 35 12.203 12.495 8.785 1.00 64.41 C ATOM 519 O VAL A 35 12.169 12.130 9.960 1.00 13.44 O ATOM 520 CB VAL A 35 12.281 14.988 8.730 1.00 52.42 C ATOM 521 CG1 VAL A 35 13.535 14.580 9.488 1.00 14.22 C ATOM 522 CG2 VAL A 35 12.636 15.809 7.499 1.00 13.11 C ATOM 0 H VAL A 35 9.844 14.707 9.258 1.00 3.14 H new ATOM 0 HA VAL A 35 11.349 13.728 7.248 1.00 61.33 H new ATOM 0 HB VAL A 35 11.673 15.607 9.389 1.00 52.42 H new ATOM 0 HG11 VAL A 35 14.101 15.471 9.761 1.00 14.22 H new ATOM 0 HG12 VAL A 35 13.254 14.038 10.391 1.00 14.22 H new ATOM 0 HG13 VAL A 35 14.150 13.939 8.856 1.00 14.22 H new ATOM 0 HG21 VAL A 35 13.215 16.682 7.799 1.00 13.11 H new ATOM 0 HG22 VAL A 35 13.225 15.200 6.813 1.00 13.11 H new ATOM 0 HG23 VAL A 35 11.722 16.133 7.002 1.00 13.11 H new ATOM 532 N VAL A 36 12.876 11.839 7.844 1.00 34.42 N ATOM 533 CA VAL A 36 13.628 10.627 8.147 1.00 45.24 C ATOM 534 C VAL A 36 15.077 10.952 8.492 1.00 44.54 C ATOM 535 O VAL A 36 15.623 10.442 9.470 1.00 71.41 O ATOM 536 CB VAL A 36 13.603 9.641 6.964 1.00 31.41 C ATOM 537 CG1 VAL A 36 13.979 8.242 7.428 1.00 72.54 C ATOM 538 CG2 VAL A 36 12.234 9.641 6.300 1.00 44.43 C ATOM 0 H VAL A 36 12.916 12.127 6.866 1.00 34.42 H new ATOM 0 HA VAL A 36 13.147 10.163 9.008 1.00 45.24 H new ATOM 0 HB VAL A 36 14.339 9.964 6.228 1.00 31.41 H new ATOM 0 HG11 VAL A 36 13.956 7.559 6.579 1.00 72.54 H new ATOM 0 HG12 VAL A 36 14.982 8.257 7.854 1.00 72.54 H new ATOM 0 HG13 VAL A 36 13.269 7.906 8.183 1.00 72.54 H new ATOM 0 HG21 VAL A 36 12.234 8.939 5.466 1.00 44.43 H new ATOM 0 HG22 VAL A 36 11.478 9.342 7.026 1.00 44.43 H new ATOM 0 HG23 VAL A 36 12.008 10.642 5.932 1.00 44.43 H new ATOM 548 N ARG A 37 15.695 11.806 7.682 1.00 44.10 N ATOM 549 CA ARG A 37 17.082 12.200 7.901 1.00 21.50 C ATOM 550 C ARG A 37 17.452 13.397 7.030 1.00 34.14 C ATOM 551 O ARG A 37 16.813 13.657 6.010 1.00 23.41 O ATOM 552 CB ARG A 37 18.020 11.029 7.601 1.00 20.34 C ATOM 553 CG ARG A 37 18.951 10.684 8.752 1.00 0.25 C ATOM 554 CD ARG A 37 20.042 9.719 8.317 1.00 60.33 C ATOM 555 NE ARG A 37 19.837 8.379 8.862 1.00 43.42 N ATOM 556 CZ ARG A 37 20.761 7.425 8.833 1.00 50.11 C ATOM 557 NH1 ARG A 37 21.947 7.662 8.289 1.00 74.23 N ATOM 558 NH2 ARG A 37 20.500 6.231 9.350 1.00 54.33 N ATOM 0 H ARG A 37 15.257 12.238 6.868 1.00 44.10 H new ATOM 0 HA ARG A 37 17.191 12.486 8.947 1.00 21.50 H new ATOM 0 HB2 ARG A 37 17.424 10.151 7.352 1.00 20.34 H new ATOM 0 HB3 ARG A 37 18.617 11.269 6.721 1.00 20.34 H new ATOM 0 HG2 ARG A 37 19.404 11.596 9.140 1.00 0.25 H new ATOM 0 HG3 ARG A 37 18.376 10.242 9.566 1.00 0.25 H new ATOM 0 HD2 ARG A 37 20.068 9.668 7.229 1.00 60.33 H new ATOM 0 HD3 ARG A 37 21.011 10.098 8.641 1.00 60.33 H new ATOM 0 HE ARG A 37 18.935 8.164 9.288 1.00 43.42 H new ATOM 0 HH11 ARG A 37 22.152 8.579 7.891 1.00 74.23 H new ATOM 0 HH12 ARG A 37 22.654 6.928 8.268 1.00 74.23 H new ATOM 0 HH21 ARG A 37 19.589 6.045 9.770 1.00 54.33 H new ATOM 0 HH22 ARG A 37 21.210 5.499 9.327 1.00 54.33 H new ATOM 572 N VAL A 38 18.486 14.124 7.441 1.00 61.32 N ATOM 573 CA VAL A 38 18.941 15.293 6.699 1.00 43.25 C ATOM 574 C VAL A 38 20.439 15.222 6.425 1.00 25.05 C ATOM 575 O VAL A 38 21.242 15.047 7.343 1.00 53.20 O ATOM 576 CB VAL A 38 18.630 16.596 7.459 1.00 44.34 C ATOM 577 CG1 VAL A 38 17.128 16.777 7.617 1.00 64.01 C ATOM 578 CG2 VAL A 38 19.322 16.600 8.813 1.00 0.25 C ATOM 0 H VAL A 38 19.024 13.924 8.284 1.00 61.32 H new ATOM 0 HA VAL A 38 18.402 15.296 5.752 1.00 43.25 H new ATOM 0 HB VAL A 38 19.013 17.435 6.879 1.00 44.34 H new ATOM 0 HG11 VAL A 38 16.928 17.703 8.156 1.00 64.01 H new ATOM 0 HG12 VAL A 38 16.661 16.822 6.633 1.00 64.01 H new ATOM 0 HG13 VAL A 38 16.717 15.936 8.175 1.00 64.01 H new ATOM 0 HG21 VAL A 38 19.092 17.528 9.337 1.00 0.25 H new ATOM 0 HG22 VAL A 38 18.971 15.753 9.403 1.00 0.25 H new ATOM 0 HG23 VAL A 38 20.400 16.522 8.671 1.00 0.25 H new ATOM 588 N LYS A 39 20.811 15.359 5.157 1.00 3.03 N ATOM 589 CA LYS A 39 22.214 15.312 4.761 1.00 12.43 C ATOM 590 C LYS A 39 22.676 16.668 4.237 1.00 64.12 C ATOM 591 O LYS A 39 22.104 17.207 3.290 1.00 75.23 O ATOM 592 CB LYS A 39 22.427 14.240 3.691 1.00 24.40 C ATOM 593 CG LYS A 39 23.889 13.992 3.362 1.00 63.25 C ATOM 594 CD LYS A 39 24.050 13.322 2.007 1.00 12.01 C ATOM 595 CE LYS A 39 24.061 11.806 2.133 1.00 54.34 C ATOM 596 NZ LYS A 39 24.822 11.163 1.026 1.00 41.50 N ATOM 0 H LYS A 39 20.160 15.504 4.385 1.00 3.03 H new ATOM 0 HA LYS A 39 22.807 15.061 5.641 1.00 12.43 H new ATOM 0 HB2 LYS A 39 21.976 13.307 4.028 1.00 24.40 H new ATOM 0 HB3 LYS A 39 21.904 14.537 2.782 1.00 24.40 H new ATOM 0 HG2 LYS A 39 24.430 14.938 3.367 1.00 63.25 H new ATOM 0 HG3 LYS A 39 24.335 13.365 4.134 1.00 63.25 H new ATOM 0 HD2 LYS A 39 23.236 13.628 1.350 1.00 12.01 H new ATOM 0 HD3 LYS A 39 24.978 13.656 1.542 1.00 12.01 H new ATOM 0 HE2 LYS A 39 24.503 11.524 3.089 1.00 54.34 H new ATOM 0 HE3 LYS A 39 23.036 11.434 2.133 1.00 54.34 H new ATOM 0 HZ1 LYS A 39 24.806 10.130 1.148 1.00 41.50 H new ATOM 0 HZ2 LYS A 39 24.386 11.411 0.115 1.00 41.50 H new ATOM 0 HZ3 LYS A 39 25.806 11.498 1.041 1.00 41.50 H new ATOM 610 N VAL A 40 23.717 17.214 4.858 1.00 65.35 N ATOM 611 CA VAL A 40 24.259 18.505 4.451 1.00 12.24 C ATOM 612 C VAL A 40 25.650 18.353 3.848 1.00 63.53 C ATOM 613 O VAL A 40 26.509 17.670 4.407 1.00 42.35 O ATOM 614 CB VAL A 40 24.331 19.482 5.640 1.00 40.21 C ATOM 615 CG1 VAL A 40 24.705 20.877 5.162 1.00 15.34 C ATOM 616 CG2 VAL A 40 23.009 19.503 6.393 1.00 44.53 C ATOM 0 H VAL A 40 24.202 16.782 5.645 1.00 65.35 H new ATOM 0 HA VAL A 40 23.583 18.909 3.697 1.00 12.24 H new ATOM 0 HB VAL A 40 25.107 19.139 6.325 1.00 40.21 H new ATOM 0 HG11 VAL A 40 24.751 21.554 6.015 1.00 15.34 H new ATOM 0 HG12 VAL A 40 25.678 20.845 4.671 1.00 15.34 H new ATOM 0 HG13 VAL A 40 23.954 21.233 4.457 1.00 15.34 H new ATOM 0 HG21 VAL A 40 23.078 20.198 7.230 1.00 44.53 H new ATOM 0 HG22 VAL A 40 22.212 19.822 5.721 1.00 44.53 H new ATOM 0 HG23 VAL A 40 22.788 18.504 6.769 1.00 44.53 H new ATOM 626 N SER A 41 25.866 18.993 2.703 1.00 24.12 N ATOM 627 CA SER A 41 27.153 18.926 2.021 1.00 64.11 C ATOM 628 C SER A 41 27.865 20.275 2.069 1.00 33.22 C ATOM 629 O SER A 41 27.482 21.217 1.374 1.00 13.15 O ATOM 630 CB SER A 41 26.962 18.489 0.567 1.00 12.23 C ATOM 631 OG SER A 41 28.203 18.173 -0.038 1.00 64.21 O ATOM 0 H SER A 41 25.166 19.564 2.228 1.00 24.12 H new ATOM 0 HA SER A 41 27.771 18.190 2.536 1.00 64.11 H new ATOM 0 HB2 SER A 41 26.304 17.621 0.528 1.00 12.23 H new ATOM 0 HB3 SER A 41 26.473 19.285 0.006 1.00 12.23 H new ATOM 0 HG SER A 41 28.045 17.746 -0.906 1.00 64.21 H new ATOM 637 N LEU A 42 28.902 20.360 2.894 1.00 24.11 N ATOM 638 CA LEU A 42 29.669 21.593 3.034 1.00 0.15 C ATOM 639 C LEU A 42 30.449 21.898 1.759 1.00 34.23 C ATOM 640 O LEU A 42 30.693 23.059 1.431 1.00 34.15 O ATOM 641 CB LEU A 42 30.630 21.487 4.220 1.00 13.42 C ATOM 642 CG LEU A 42 31.894 20.659 3.988 1.00 34.33 C ATOM 643 CD1 LEU A 42 33.061 21.559 3.616 1.00 24.01 C ATOM 644 CD2 LEU A 42 32.225 19.835 5.224 1.00 25.00 C ATOM 0 H LEU A 42 29.231 19.590 3.476 1.00 24.11 H new ATOM 0 HA LEU A 42 28.969 22.409 3.213 1.00 0.15 H new ATOM 0 HB2 LEU A 42 30.928 22.494 4.511 1.00 13.42 H new ATOM 0 HB3 LEU A 42 30.089 21.058 5.063 1.00 13.42 H new ATOM 0 HG LEU A 42 31.711 19.976 3.159 1.00 34.33 H new ATOM 0 HD11 LEU A 42 33.952 20.952 3.455 1.00 24.01 H new ATOM 0 HD12 LEU A 42 32.823 22.104 2.703 1.00 24.01 H new ATOM 0 HD13 LEU A 42 33.246 22.267 4.424 1.00 24.01 H new ATOM 0 HD21 LEU A 42 33.128 19.252 5.041 1.00 25.00 H new ATOM 0 HD22 LEU A 42 32.388 20.500 6.072 1.00 25.00 H new ATOM 0 HD23 LEU A 42 31.397 19.162 5.445 1.00 25.00 H new ATOM 656 N SER A 43 30.835 20.847 1.043 1.00 41.02 N ATOM 657 CA SER A 43 31.588 21.002 -0.196 1.00 64.01 C ATOM 658 C SER A 43 30.705 21.573 -1.301 1.00 60.13 C ATOM 659 O SER A 43 31.181 22.279 -2.189 1.00 2.55 O ATOM 660 CB SER A 43 32.170 19.657 -0.636 1.00 33.11 C ATOM 661 OG SER A 43 31.222 18.911 -1.380 1.00 64.13 O ATOM 0 H SER A 43 30.639 19.879 1.299 1.00 41.02 H new ATOM 0 HA SER A 43 32.405 21.700 -0.011 1.00 64.01 H new ATOM 0 HB2 SER A 43 33.062 19.823 -1.240 1.00 33.11 H new ATOM 0 HB3 SER A 43 32.480 19.087 0.240 1.00 33.11 H new ATOM 0 HG SER A 43 31.618 18.057 -1.651 1.00 64.13 H new ATOM 667 N ASN A 44 29.415 21.260 -1.240 1.00 13.35 N ATOM 668 CA ASN A 44 28.463 21.741 -2.235 1.00 4.11 C ATOM 669 C ASN A 44 27.670 22.930 -1.700 1.00 23.41 C ATOM 670 O ASN A 44 26.836 23.498 -2.404 1.00 3.43 O ATOM 671 CB ASN A 44 27.508 20.618 -2.642 1.00 33.42 C ATOM 672 CG ASN A 44 27.524 20.357 -4.136 1.00 4.13 C ATOM 673 OD1 ASN A 44 28.528 19.904 -4.687 1.00 12.41 O ATOM 674 ND2 ASN A 44 26.410 20.643 -4.798 1.00 52.14 N ATOM 0 H ASN A 44 29.005 20.675 -0.512 1.00 13.35 H new ATOM 0 HA ASN A 44 29.024 22.067 -3.111 1.00 4.11 H new ATOM 0 HB2 ASN A 44 27.780 19.704 -2.114 1.00 33.42 H new ATOM 0 HB3 ASN A 44 26.495 20.876 -2.332 1.00 33.42 H new ATOM 0 HD21 ASN A 44 26.361 20.489 -5.805 1.00 52.14 H new ATOM 0 HD22 ASN A 44 25.602 21.017 -4.300 1.00 52.14 H new ATOM 681 N GLN A 45 27.938 23.299 -0.451 1.00 74.53 N ATOM 682 CA GLN A 45 27.249 24.419 0.178 1.00 52.24 C ATOM 683 C GLN A 45 25.738 24.287 0.020 1.00 54.45 C ATOM 684 O GLN A 45 25.043 25.271 -0.235 1.00 21.33 O ATOM 685 CB GLN A 45 27.723 25.741 -0.428 1.00 3.54 C ATOM 686 CG GLN A 45 29.154 26.101 -0.059 1.00 34.23 C ATOM 687 CD GLN A 45 29.608 27.405 -0.684 1.00 55.02 C ATOM 688 OE1 GLN A 45 29.240 27.726 -1.815 1.00 34.14 O ATOM 689 NE2 GLN A 45 30.412 28.166 0.050 1.00 75.44 N ATOM 0 H GLN A 45 28.627 22.839 0.144 1.00 74.53 H new ATOM 0 HA GLN A 45 27.487 24.408 1.242 1.00 52.24 H new ATOM 0 HB2 GLN A 45 27.640 25.684 -1.513 1.00 3.54 H new ATOM 0 HB3 GLN A 45 27.059 26.541 -0.099 1.00 3.54 H new ATOM 0 HG2 GLN A 45 29.238 26.174 1.025 1.00 34.23 H new ATOM 0 HG3 GLN A 45 29.820 25.299 -0.377 1.00 34.23 H new ATOM 0 HE21 GLN A 45 30.692 27.861 0.982 1.00 75.44 H new ATOM 0 HE22 GLN A 45 30.749 29.055 -0.319 1.00 75.44 H new ATOM 698 N GLU A 46 25.236 23.066 0.172 1.00 71.35 N ATOM 699 CA GLU A 46 23.807 22.806 0.044 1.00 13.21 C ATOM 700 C GLU A 46 23.298 21.972 1.217 1.00 44.34 C ATOM 701 O GLU A 46 24.084 21.408 1.977 1.00 1.03 O ATOM 702 CB GLU A 46 23.512 22.086 -1.274 1.00 11.44 C ATOM 703 CG GLU A 46 23.690 20.579 -1.197 1.00 45.40 C ATOM 704 CD GLU A 46 24.109 19.973 -2.523 1.00 12.44 C ATOM 705 OE1 GLU A 46 23.949 20.650 -3.560 1.00 44.22 O ATOM 706 OE2 GLU A 46 24.595 18.823 -2.523 1.00 11.32 O ATOM 0 H GLU A 46 25.798 22.241 0.384 1.00 71.35 H new ATOM 0 HA GLU A 46 23.288 23.765 0.050 1.00 13.21 H new ATOM 0 HB2 GLU A 46 22.489 22.308 -1.578 1.00 11.44 H new ATOM 0 HB3 GLU A 46 24.168 22.482 -2.049 1.00 11.44 H new ATOM 0 HG2 GLU A 46 24.439 20.343 -0.441 1.00 45.40 H new ATOM 0 HG3 GLU A 46 22.755 20.122 -0.872 1.00 45.40 H new ATOM 713 N ALA A 47 21.979 21.900 1.356 1.00 53.42 N ATOM 714 CA ALA A 47 21.365 21.135 2.434 1.00 52.12 C ATOM 715 C ALA A 47 20.278 20.209 1.899 1.00 32.34 C ATOM 716 O ALA A 47 19.358 20.648 1.208 1.00 25.42 O ATOM 717 CB ALA A 47 20.792 22.072 3.486 1.00 13.45 C ATOM 0 H ALA A 47 21.315 22.362 0.735 1.00 53.42 H new ATOM 0 HA ALA A 47 22.137 20.519 2.895 1.00 52.12 H new ATOM 0 HB1 ALA A 47 20.337 21.487 4.285 1.00 13.45 H new ATOM 0 HB2 ALA A 47 21.591 22.689 3.898 1.00 13.45 H new ATOM 0 HB3 ALA A 47 20.037 22.713 3.030 1.00 13.45 H new ATOM 723 N VAL A 48 20.389 18.924 2.223 1.00 3.34 N ATOM 724 CA VAL A 48 19.416 17.936 1.776 1.00 35.30 C ATOM 725 C VAL A 48 18.542 17.462 2.933 1.00 43.15 C ATOM 726 O VAL A 48 19.046 17.111 4.000 1.00 74.51 O ATOM 727 CB VAL A 48 20.106 16.717 1.136 1.00 25.23 C ATOM 728 CG1 VAL A 48 19.083 15.815 0.463 1.00 41.10 C ATOM 729 CG2 VAL A 48 21.168 17.167 0.144 1.00 73.24 C ATOM 0 H VAL A 48 21.144 18.544 2.794 1.00 3.34 H new ATOM 0 HA VAL A 48 18.791 18.424 1.028 1.00 35.30 H new ATOM 0 HB VAL A 48 20.596 16.144 1.923 1.00 25.23 H new ATOM 0 HG11 VAL A 48 19.590 14.959 0.017 1.00 41.10 H new ATOM 0 HG12 VAL A 48 18.364 15.465 1.203 1.00 41.10 H new ATOM 0 HG13 VAL A 48 18.561 16.373 -0.314 1.00 41.10 H new ATOM 0 HG21 VAL A 48 21.646 16.293 -0.299 1.00 73.24 H new ATOM 0 HG22 VAL A 48 20.703 17.763 -0.641 1.00 73.24 H new ATOM 0 HG23 VAL A 48 21.917 17.767 0.660 1.00 73.24 H new ATOM 739 N ILE A 49 17.232 17.455 2.713 1.00 51.12 N ATOM 740 CA ILE A 49 16.289 17.023 3.737 1.00 74.15 C ATOM 741 C ILE A 49 15.421 15.874 3.235 1.00 61.54 C ATOM 742 O ILE A 49 14.646 16.032 2.291 1.00 70.53 O ATOM 743 CB ILE A 49 15.378 18.180 4.187 1.00 35.01 C ATOM 744 CG1 ILE A 49 16.215 19.415 4.526 1.00 52.02 C ATOM 745 CG2 ILE A 49 14.538 17.758 5.384 1.00 70.04 C ATOM 746 CD1 ILE A 49 16.403 20.357 3.357 1.00 32.31 C ATOM 0 H ILE A 49 16.800 17.743 1.835 1.00 51.12 H new ATOM 0 HA ILE A 49 16.880 16.684 4.588 1.00 74.15 H new ATOM 0 HB ILE A 49 14.706 18.434 3.367 1.00 35.01 H new ATOM 0 HG12 ILE A 49 15.737 19.955 5.344 1.00 52.02 H new ATOM 0 HG13 ILE A 49 17.193 19.094 4.884 1.00 52.02 H new ATOM 0 HG21 ILE A 49 13.899 18.586 5.690 1.00 70.04 H new ATOM 0 HG22 ILE A 49 13.918 16.904 5.111 1.00 70.04 H new ATOM 0 HG23 ILE A 49 15.194 17.481 6.209 1.00 70.04 H new ATOM 0 HD11 ILE A 49 17.006 21.210 3.670 1.00 32.31 H new ATOM 0 HD12 ILE A 49 16.909 19.834 2.546 1.00 32.31 H new ATOM 0 HD13 ILE A 49 15.430 20.707 3.012 1.00 32.31 H new ATOM 758 N THR A 50 15.555 14.715 3.873 1.00 2.34 N ATOM 759 CA THR A 50 14.784 13.539 3.493 1.00 73.21 C ATOM 760 C THR A 50 13.562 13.370 4.388 1.00 33.42 C ATOM 761 O THR A 50 13.684 13.272 5.610 1.00 74.45 O ATOM 762 CB THR A 50 15.639 12.259 3.563 1.00 13.52 C ATOM 763 OG1 THR A 50 16.823 12.418 2.775 1.00 44.03 O ATOM 764 CG2 THR A 50 14.852 11.055 3.069 1.00 31.00 C ATOM 0 H THR A 50 16.191 14.566 4.656 1.00 2.34 H new ATOM 0 HA THR A 50 14.459 13.694 2.464 1.00 73.21 H new ATOM 0 HB THR A 50 15.916 12.089 4.604 1.00 13.52 H new ATOM 0 HG1 THR A 50 17.362 11.601 2.826 1.00 44.03 H new ATOM 0 HG21 THR A 50 15.476 10.163 3.128 1.00 31.00 H new ATOM 0 HG22 THR A 50 13.966 10.920 3.690 1.00 31.00 H new ATOM 0 HG23 THR A 50 14.549 11.218 2.035 1.00 31.00 H new ATOM 772 N TYR A 51 12.384 13.335 3.774 1.00 44.30 N ATOM 773 CA TYR A 51 11.139 13.179 4.516 1.00 2.44 C ATOM 774 C TYR A 51 10.222 12.169 3.835 1.00 34.20 C ATOM 775 O TYR A 51 10.535 11.657 2.761 1.00 75.34 O ATOM 776 CB TYR A 51 10.426 14.526 4.646 1.00 40.43 C ATOM 777 CG TYR A 51 9.581 14.882 3.443 1.00 5.31 C ATOM 778 CD1 TYR A 51 10.149 14.995 2.180 1.00 63.21 C ATOM 779 CD2 TYR A 51 8.216 15.107 3.570 1.00 63.01 C ATOM 780 CE1 TYR A 51 9.382 15.320 1.078 1.00 11.52 C ATOM 781 CE2 TYR A 51 7.441 15.432 2.474 1.00 70.43 C ATOM 782 CZ TYR A 51 8.028 15.537 1.230 1.00 2.42 C ATOM 783 OH TYR A 51 7.260 15.862 0.136 1.00 75.11 O ATOM 0 H TYR A 51 12.266 13.413 2.764 1.00 44.30 H new ATOM 0 HA TYR A 51 11.383 12.807 5.511 1.00 2.44 H new ATOM 0 HB2 TYR A 51 9.792 14.508 5.532 1.00 40.43 H new ATOM 0 HB3 TYR A 51 11.169 15.308 4.802 1.00 40.43 H new ATOM 0 HD1 TYR A 51 11.209 14.826 2.058 1.00 63.21 H new ATOM 0 HD2 TYR A 51 7.753 15.026 4.542 1.00 63.01 H new ATOM 0 HE1 TYR A 51 9.840 15.404 0.103 1.00 11.52 H new ATOM 0 HE2 TYR A 51 6.381 15.603 2.590 1.00 70.43 H new ATOM 0 HH TYR A 51 6.564 15.183 0.012 1.00 75.11 H new ATOM 793 N GLN A 52 9.088 11.888 4.469 1.00 74.13 N ATOM 794 CA GLN A 52 8.124 10.939 3.924 1.00 32.33 C ATOM 795 C GLN A 52 6.759 11.594 3.739 1.00 2.13 C ATOM 796 O GLN A 52 6.271 12.322 4.604 1.00 53.12 O ATOM 797 CB GLN A 52 7.998 9.723 4.844 1.00 23.11 C ATOM 798 CG GLN A 52 7.802 8.413 4.098 1.00 55.22 C ATOM 799 CD GLN A 52 8.229 7.208 4.912 1.00 74.21 C ATOM 800 OE1 GLN A 52 9.536 7.012 5.039 1.00 31.45 O flip ATOM 801 NE2 GLN A 52 7.393 6.461 5.421 1.00 72.45 N flip ATOM 0 H GLN A 52 8.814 12.303 5.360 1.00 74.13 H new ATOM 0 HA GLN A 52 8.485 10.613 2.949 1.00 32.33 H new ATOM 0 HB2 GLN A 52 8.894 9.650 5.460 1.00 23.11 H new ATOM 0 HB3 GLN A 52 7.157 9.875 5.521 1.00 23.11 H new ATOM 0 HG2 GLN A 52 6.752 8.309 3.825 1.00 55.22 H new ATOM 0 HG3 GLN A 52 8.372 8.440 3.169 1.00 55.22 H new ATOM 0 HE21 GLN A 52 6.398 6.650 5.298 1.00 72.45 H new ATOM 0 HE22 GLN A 52 7.695 5.654 5.966 1.00 72.45 H new ATOM 810 N PRO A 53 6.128 11.332 2.585 1.00 33.34 N ATOM 811 CA PRO A 53 4.810 11.886 2.260 1.00 4.40 C ATOM 812 C PRO A 53 3.701 11.287 3.117 1.00 30.41 C ATOM 813 O PRO A 53 2.644 11.892 3.294 1.00 11.43 O ATOM 814 CB PRO A 53 4.617 11.503 0.791 1.00 44.34 C ATOM 815 CG PRO A 53 5.467 10.295 0.599 1.00 23.14 C ATOM 816 CD PRO A 53 6.651 10.473 1.510 1.00 72.32 C ATOM 0 HA PRO A 53 4.762 12.959 2.445 1.00 4.40 H new ATOM 0 HB2 PRO A 53 3.571 11.290 0.572 1.00 44.34 H new ATOM 0 HB3 PRO A 53 4.923 12.312 0.128 1.00 44.34 H new ATOM 0 HG2 PRO A 53 4.917 9.387 0.847 1.00 23.14 H new ATOM 0 HG3 PRO A 53 5.784 10.202 -0.440 1.00 23.14 H new ATOM 0 HD2 PRO A 53 7.008 9.518 1.896 1.00 72.32 H new ATOM 0 HD3 PRO A 53 7.489 10.941 0.993 1.00 72.32 H new ATOM 824 N TYR A 54 3.948 10.094 3.647 1.00 65.12 N ATOM 825 CA TYR A 54 2.969 9.411 4.484 1.00 2.31 C ATOM 826 C TYR A 54 2.990 9.962 5.907 1.00 41.45 C ATOM 827 O TYR A 54 2.073 9.720 6.693 1.00 43.13 O ATOM 828 CB TYR A 54 3.244 7.907 4.504 1.00 64.20 C ATOM 829 CG TYR A 54 2.593 7.187 5.664 1.00 44.53 C ATOM 830 CD1 TYR A 54 3.231 7.094 6.895 1.00 51.41 C ATOM 831 CD2 TYR A 54 1.342 6.600 5.528 1.00 14.13 C ATOM 832 CE1 TYR A 54 2.640 6.438 7.957 1.00 24.42 C ATOM 833 CE2 TYR A 54 0.743 5.943 6.585 1.00 30.35 C ATOM 834 CZ TYR A 54 1.396 5.864 7.798 1.00 63.13 C ATOM 835 OH TYR A 54 0.804 5.209 8.853 1.00 71.42 O ATOM 0 H TYR A 54 4.818 9.580 3.512 1.00 65.12 H new ATOM 0 HA TYR A 54 1.981 9.587 4.060 1.00 2.31 H new ATOM 0 HB2 TYR A 54 2.890 7.469 3.571 1.00 64.20 H new ATOM 0 HB3 TYR A 54 4.321 7.744 4.544 1.00 64.20 H new ATOM 0 HD1 TYR A 54 4.205 7.542 7.023 1.00 51.41 H new ATOM 0 HD2 TYR A 54 0.829 6.658 4.580 1.00 14.13 H new ATOM 0 HE1 TYR A 54 3.149 6.375 8.907 1.00 24.42 H new ATOM 0 HE2 TYR A 54 -0.231 5.493 6.463 1.00 30.35 H new ATOM 0 HH TYR A 54 -0.070 4.863 8.575 1.00 71.42 H new ATOM 845 N LEU A 55 4.042 10.706 6.230 1.00 24.34 N ATOM 846 CA LEU A 55 4.185 11.293 7.558 1.00 54.30 C ATOM 847 C LEU A 55 3.972 12.803 7.511 1.00 45.12 C ATOM 848 O LEU A 55 2.965 13.314 8.002 1.00 62.34 O ATOM 849 CB LEU A 55 5.568 10.979 8.131 1.00 73.10 C ATOM 850 CG LEU A 55 6.017 9.520 8.038 1.00 41.34 C ATOM 851 CD1 LEU A 55 7.529 9.419 8.163 1.00 63.33 C ATOM 852 CD2 LEU A 55 5.334 8.682 9.108 1.00 11.14 C ATOM 0 H LEU A 55 4.808 10.917 5.591 1.00 24.34 H new ATOM 0 HA LEU A 55 3.424 10.857 8.205 1.00 54.30 H new ATOM 0 HB2 LEU A 55 6.302 11.598 7.615 1.00 73.10 H new ATOM 0 HB3 LEU A 55 5.581 11.276 9.180 1.00 73.10 H new ATOM 0 HG LEU A 55 5.727 9.132 7.062 1.00 41.34 H new ATOM 0 HD11 LEU A 55 7.831 8.374 8.095 1.00 63.33 H new ATOM 0 HD12 LEU A 55 7.999 9.986 7.359 1.00 63.33 H new ATOM 0 HD13 LEU A 55 7.842 9.825 9.125 1.00 63.33 H new ATOM 0 HD21 LEU A 55 5.666 7.647 9.026 1.00 11.14 H new ATOM 0 HD22 LEU A 55 5.593 9.069 10.094 1.00 11.14 H new ATOM 0 HD23 LEU A 55 4.254 8.729 8.972 1.00 11.14 H new ATOM 864 N ILE A 56 4.926 13.511 6.916 1.00 44.04 N ATOM 865 CA ILE A 56 4.842 14.962 6.801 1.00 31.34 C ATOM 866 C ILE A 56 4.964 15.407 5.348 1.00 74.31 C ATOM 867 O ILE A 56 5.531 14.698 4.518 1.00 61.45 O ATOM 868 CB ILE A 56 5.936 15.657 7.633 1.00 65.54 C ATOM 869 CG1 ILE A 56 5.683 17.164 7.691 1.00 11.34 C ATOM 870 CG2 ILE A 56 7.310 15.367 7.046 1.00 3.55 C ATOM 871 CD1 ILE A 56 6.683 17.913 8.544 1.00 23.53 C ATOM 0 H ILE A 56 5.766 13.103 6.506 1.00 44.04 H new ATOM 0 HA ILE A 56 3.865 15.253 7.186 1.00 31.34 H new ATOM 0 HB ILE A 56 5.905 15.264 8.649 1.00 65.54 H new ATOM 0 HG12 ILE A 56 5.707 17.567 6.679 1.00 11.34 H new ATOM 0 HG13 ILE A 56 4.681 17.341 8.081 1.00 11.34 H new ATOM 0 HG21 ILE A 56 8.074 15.864 7.644 1.00 3.55 H new ATOM 0 HG22 ILE A 56 7.488 14.292 7.051 1.00 3.55 H new ATOM 0 HG23 ILE A 56 7.353 15.737 6.022 1.00 3.55 H new ATOM 0 HD11 ILE A 56 6.442 18.976 8.539 1.00 23.53 H new ATOM 0 HD12 ILE A 56 6.643 17.537 9.566 1.00 23.53 H new ATOM 0 HD13 ILE A 56 7.686 17.767 8.142 1.00 23.53 H new ATOM 883 N GLN A 57 4.428 16.586 5.049 1.00 23.01 N ATOM 884 CA GLN A 57 4.478 17.126 3.696 1.00 42.04 C ATOM 885 C GLN A 57 5.777 17.890 3.462 1.00 42.20 C ATOM 886 O GLN A 57 6.518 18.203 4.394 1.00 1.22 O ATOM 887 CB GLN A 57 3.281 18.044 3.446 1.00 55.23 C ATOM 888 CG GLN A 57 2.178 17.396 2.624 1.00 31.11 C ATOM 889 CD GLN A 57 1.244 18.412 1.997 1.00 73.44 C ATOM 890 OE1 GLN A 57 0.696 19.276 2.682 1.00 23.43 O ATOM 891 NE2 GLN A 57 1.056 18.313 0.686 1.00 43.33 N ATOM 0 H GLN A 57 3.954 17.185 5.725 1.00 23.01 H new ATOM 0 HA GLN A 57 4.438 16.290 2.997 1.00 42.04 H new ATOM 0 HB2 GLN A 57 2.870 18.360 4.405 1.00 55.23 H new ATOM 0 HB3 GLN A 57 3.624 18.943 2.934 1.00 55.23 H new ATOM 0 HG2 GLN A 57 2.626 16.787 1.839 1.00 31.11 H new ATOM 0 HG3 GLN A 57 1.603 16.724 3.261 1.00 31.11 H new ATOM 0 HE21 GLN A 57 1.530 17.581 0.157 1.00 43.33 H new ATOM 0 HE22 GLN A 57 0.437 18.969 0.209 1.00 43.33 H new ATOM 900 N PRO A 58 6.062 18.198 2.188 1.00 2.20 N ATOM 901 CA PRO A 58 7.273 18.930 1.802 1.00 34.32 C ATOM 902 C PRO A 58 7.236 20.387 2.249 1.00 4.13 C ATOM 903 O PRO A 58 8.219 20.908 2.775 1.00 1.42 O ATOM 904 CB PRO A 58 7.270 18.839 0.274 1.00 30.12 C ATOM 905 CG PRO A 58 5.838 18.654 -0.092 1.00 32.42 C ATOM 906 CD PRO A 58 5.224 17.857 1.026 1.00 25.32 C ATOM 0 HA PRO A 58 8.167 18.513 2.266 1.00 34.32 H new ATOM 0 HB2 PRO A 58 7.680 19.742 -0.177 1.00 30.12 H new ATOM 0 HB3 PRO A 58 7.879 18.004 -0.074 1.00 30.12 H new ATOM 0 HG2 PRO A 58 5.337 19.615 -0.207 1.00 32.42 H new ATOM 0 HG3 PRO A 58 5.743 18.130 -1.043 1.00 32.42 H new ATOM 0 HD2 PRO A 58 4.181 18.130 1.189 1.00 25.32 H new ATOM 0 HD3 PRO A 58 5.245 16.788 0.816 1.00 25.32 H new ATOM 914 N GLU A 59 6.097 21.039 2.037 1.00 62.51 N ATOM 915 CA GLU A 59 5.935 22.436 2.418 1.00 12.54 C ATOM 916 C GLU A 59 6.091 22.611 3.926 1.00 31.54 C ATOM 917 O GLU A 59 6.655 23.601 4.393 1.00 70.53 O ATOM 918 CB GLU A 59 4.565 22.954 1.973 1.00 24.13 C ATOM 919 CG GLU A 59 4.518 23.374 0.514 1.00 63.43 C ATOM 920 CD GLU A 59 3.251 24.130 0.165 1.00 43.22 C ATOM 921 OE1 GLU A 59 2.181 23.490 0.087 1.00 45.42 O ATOM 922 OE2 GLU A 59 3.329 25.361 -0.030 1.00 43.04 O ATOM 0 H GLU A 59 5.273 20.622 1.604 1.00 62.51 H new ATOM 0 HA GLU A 59 6.714 23.014 1.920 1.00 12.54 H new ATOM 0 HB2 GLU A 59 3.819 22.177 2.143 1.00 24.13 H new ATOM 0 HB3 GLU A 59 4.287 23.804 2.596 1.00 24.13 H new ATOM 0 HG2 GLU A 59 5.383 23.999 0.292 1.00 63.43 H new ATOM 0 HG3 GLU A 59 4.594 22.489 -0.118 1.00 63.43 H new ATOM 929 N ASP A 60 5.587 21.642 4.683 1.00 73.11 N ATOM 930 CA ASP A 60 5.670 21.687 6.138 1.00 31.42 C ATOM 931 C ASP A 60 7.115 21.538 6.605 1.00 53.03 C ATOM 932 O ASP A 60 7.564 22.250 7.504 1.00 23.40 O ATOM 933 CB ASP A 60 4.806 20.585 6.754 1.00 62.42 C ATOM 934 CG ASP A 60 3.715 21.137 7.650 1.00 62.30 C ATOM 935 OD1 ASP A 60 4.025 21.997 8.501 1.00 32.33 O ATOM 936 OD2 ASP A 60 2.552 20.710 7.500 1.00 74.45 O ATOM 0 H ASP A 60 5.117 20.816 4.313 1.00 73.11 H new ATOM 0 HA ASP A 60 5.298 22.657 6.468 1.00 31.42 H new ATOM 0 HB2 ASP A 60 4.354 19.994 5.957 1.00 62.42 H new ATOM 0 HB3 ASP A 60 5.439 19.911 7.331 1.00 62.42 H new ATOM 941 N LEU A 61 7.837 20.609 5.989 1.00 61.22 N ATOM 942 CA LEU A 61 9.232 20.366 6.341 1.00 33.44 C ATOM 943 C LEU A 61 10.108 21.549 5.944 1.00 63.23 C ATOM 944 O LEU A 61 11.151 21.793 6.551 1.00 51.31 O ATOM 945 CB LEU A 61 9.735 19.092 5.661 1.00 25.50 C ATOM 946 CG LEU A 61 10.504 19.288 4.354 1.00 61.32 C ATOM 947 CD1 LEU A 61 11.974 19.559 4.634 1.00 31.23 C ATOM 948 CD2 LEU A 61 10.347 18.070 3.455 1.00 54.13 C ATOM 0 H LEU A 61 7.480 20.011 5.243 1.00 61.22 H new ATOM 0 HA LEU A 61 9.292 20.241 7.422 1.00 33.44 H new ATOM 0 HB2 LEU A 61 10.379 18.560 6.362 1.00 25.50 H new ATOM 0 HB3 LEU A 61 8.879 18.448 5.462 1.00 25.50 H new ATOM 0 HG LEU A 61 10.088 20.153 3.837 1.00 61.32 H new ATOM 0 HD11 LEU A 61 12.505 19.696 3.692 1.00 31.23 H new ATOM 0 HD12 LEU A 61 12.069 20.461 5.238 1.00 31.23 H new ATOM 0 HD13 LEU A 61 12.403 18.715 5.173 1.00 31.23 H new ATOM 0 HD21 LEU A 61 10.901 18.227 2.529 1.00 54.13 H new ATOM 0 HD22 LEU A 61 10.736 17.189 3.965 1.00 54.13 H new ATOM 0 HD23 LEU A 61 9.292 17.921 3.226 1.00 54.13 H new ATOM 960 N ARG A 62 9.677 22.281 4.922 1.00 61.12 N ATOM 961 CA ARG A 62 10.422 23.439 4.444 1.00 41.42 C ATOM 962 C ARG A 62 10.594 24.471 5.555 1.00 42.33 C ATOM 963 O ARG A 62 11.670 25.046 5.720 1.00 23.15 O ATOM 964 CB ARG A 62 9.708 24.074 3.249 1.00 12.54 C ATOM 965 CG ARG A 62 10.316 25.396 2.808 1.00 61.40 C ATOM 966 CD ARG A 62 10.047 25.669 1.337 1.00 72.15 C ATOM 967 NE ARG A 62 9.028 26.698 1.149 1.00 51.25 N ATOM 968 CZ ARG A 62 8.314 26.831 0.036 1.00 3.31 C ATOM 969 NH1 ARG A 62 8.507 26.004 -0.982 1.00 41.21 N ATOM 970 NH2 ARG A 62 7.405 27.793 -0.059 1.00 41.03 N ATOM 0 H ARG A 62 8.816 22.093 4.409 1.00 61.12 H new ATOM 0 HA ARG A 62 11.409 23.100 4.130 1.00 41.42 H new ATOM 0 HB2 ARG A 62 9.729 23.377 2.411 1.00 12.54 H new ATOM 0 HB3 ARG A 62 8.660 24.233 3.505 1.00 12.54 H new ATOM 0 HG2 ARG A 62 9.905 26.206 3.411 1.00 61.40 H new ATOM 0 HG3 ARG A 62 11.391 25.381 2.986 1.00 61.40 H new ATOM 0 HD2 ARG A 62 10.971 25.981 0.851 1.00 72.15 H new ATOM 0 HD3 ARG A 62 9.726 24.748 0.850 1.00 72.15 H new ATOM 0 HE ARG A 62 8.855 27.350 1.914 1.00 51.25 H new ATOM 0 HH11 ARG A 62 9.205 25.263 -0.912 1.00 41.21 H new ATOM 0 HH12 ARG A 62 7.958 26.108 -1.835 1.00 41.21 H new ATOM 0 HH21 ARG A 62 7.254 28.431 0.722 1.00 41.03 H new ATOM 0 HH22 ARG A 62 6.857 27.895 -0.913 1.00 41.03 H new ATOM 984 N ASP A 63 9.527 24.701 6.312 1.00 42.12 N ATOM 985 CA ASP A 63 9.560 25.663 7.407 1.00 12.23 C ATOM 986 C ASP A 63 10.514 25.204 8.506 1.00 75.23 C ATOM 987 O ASP A 63 11.159 26.020 9.163 1.00 4.52 O ATOM 988 CB ASP A 63 8.157 25.861 7.983 1.00 74.12 C ATOM 989 CG ASP A 63 7.126 26.151 6.909 1.00 21.23 C ATOM 990 OD1 ASP A 63 7.171 27.254 6.326 1.00 51.41 O ATOM 991 OD2 ASP A 63 6.275 25.274 6.652 1.00 64.12 O ATOM 0 H ASP A 63 8.629 24.234 6.187 1.00 42.12 H new ATOM 0 HA ASP A 63 9.920 26.613 7.012 1.00 12.23 H new ATOM 0 HB2 ASP A 63 7.863 24.967 8.532 1.00 74.12 H new ATOM 0 HB3 ASP A 63 8.174 26.683 8.698 1.00 74.12 H new ATOM 996 N HIS A 64 10.596 23.891 8.700 1.00 42.30 N ATOM 997 CA HIS A 64 11.471 23.323 9.720 1.00 72.05 C ATOM 998 C HIS A 64 12.937 23.545 9.363 1.00 44.25 C ATOM 999 O HIS A 64 13.766 23.810 10.234 1.00 71.02 O ATOM 1000 CB HIS A 64 11.194 21.828 9.883 1.00 45.11 C ATOM 1001 CG HIS A 64 11.352 21.340 11.290 1.00 12.22 C ATOM 1002 ND1 HIS A 64 10.561 20.540 12.043 1.00 53.03 N flip ATOM 1003 CD2 HIS A 64 12.427 21.674 12.087 1.00 3.34 C flip ATOM 1004 CE1 HIS A 64 11.167 20.406 13.268 1.00 14.14 C flip ATOM 1005 NE2 HIS A 64 12.292 21.099 13.268 1.00 25.43 N flip ATOM 0 H HIS A 64 10.068 23.201 8.165 1.00 42.30 H new ATOM 0 HA HIS A 64 11.265 23.828 10.664 1.00 72.05 H new ATOM 0 HB2 HIS A 64 10.180 21.616 9.545 1.00 45.11 H new ATOM 0 HB3 HIS A 64 11.869 21.269 9.235 1.00 45.11 H new ATOM 0 HD2 HIS A 64 13.251 22.307 11.791 1.00 3.34 H new ATOM 0 HE1 HIS A 64 10.786 19.828 14.097 1.00 14.14 H new ATOM 0 HE2 HIS A 64 12.945 21.177 14.048 1.00 25.43 H new ATOM 1013 N VAL A 65 13.252 23.435 8.076 1.00 75.04 N ATOM 1014 CA VAL A 65 14.618 23.624 7.603 1.00 11.12 C ATOM 1015 C VAL A 65 15.136 25.012 7.962 1.00 2.20 C ATOM 1016 O VAL A 65 16.258 25.161 8.444 1.00 43.54 O ATOM 1017 CB VAL A 65 14.717 23.430 6.079 1.00 74.45 C ATOM 1018 CG1 VAL A 65 16.158 23.571 5.614 1.00 22.23 C ATOM 1019 CG2 VAL A 65 14.149 22.077 5.677 1.00 75.14 C ATOM 0 H VAL A 65 12.579 23.216 7.342 1.00 75.04 H new ATOM 0 HA VAL A 65 15.231 22.871 8.098 1.00 11.12 H new ATOM 0 HB VAL A 65 14.126 24.206 5.593 1.00 74.45 H new ATOM 0 HG11 VAL A 65 16.207 23.431 4.534 1.00 22.23 H new ATOM 0 HG12 VAL A 65 16.527 24.565 5.868 1.00 22.23 H new ATOM 0 HG13 VAL A 65 16.774 22.819 6.106 1.00 22.23 H new ATOM 0 HG21 VAL A 65 14.227 21.956 4.597 1.00 75.14 H new ATOM 0 HG22 VAL A 65 14.711 21.285 6.172 1.00 75.14 H new ATOM 0 HG23 VAL A 65 13.102 22.019 5.974 1.00 75.14 H new ATOM 1029 N ASN A 66 14.310 26.026 7.724 1.00 22.03 N ATOM 1030 CA ASN A 66 14.685 27.403 8.023 1.00 41.55 C ATOM 1031 C ASN A 66 14.863 27.606 9.524 1.00 22.12 C ATOM 1032 O ASN A 66 15.675 28.423 9.959 1.00 60.11 O ATOM 1033 CB ASN A 66 13.626 28.369 7.488 1.00 15.45 C ATOM 1034 CG ASN A 66 13.712 29.738 8.136 1.00 41.12 C ATOM 1035 OD1 ASN A 66 13.123 29.977 9.190 1.00 31.32 O ATOM 1036 ND2 ASN A 66 14.449 30.645 7.505 1.00 1.13 N ATOM 0 H ASN A 66 13.377 25.920 7.325 1.00 22.03 H new ATOM 0 HA ASN A 66 15.636 27.609 7.532 1.00 41.55 H new ATOM 0 HB2 ASN A 66 13.744 28.472 6.409 1.00 15.45 H new ATOM 0 HB3 ASN A 66 12.635 27.950 7.661 1.00 15.45 H new ATOM 0 HD21 ASN A 66 14.544 31.584 7.892 1.00 1.13 H new ATOM 0 HD22 ASN A 66 14.920 30.403 6.633 1.00 1.13 H new ATOM 1043 N ASP A 67 14.099 26.856 10.311 1.00 4.11 N ATOM 1044 CA ASP A 67 14.173 26.951 11.764 1.00 5.44 C ATOM 1045 C ASP A 67 15.590 26.670 12.256 1.00 50.20 C ATOM 1046 O ASP A 67 15.973 27.089 13.348 1.00 41.12 O ATOM 1047 CB ASP A 67 13.192 25.973 12.412 1.00 61.03 C ATOM 1048 CG ASP A 67 12.730 26.436 13.779 1.00 15.40 C ATOM 1049 OD1 ASP A 67 13.590 26.830 14.595 1.00 54.02 O ATOM 1050 OD2 ASP A 67 11.507 26.406 14.033 1.00 4.41 O ATOM 0 H ASP A 67 13.421 26.176 9.967 1.00 4.11 H new ATOM 0 HA ASP A 67 13.903 27.967 12.050 1.00 5.44 H new ATOM 0 HB2 ASP A 67 12.326 25.848 11.762 1.00 61.03 H new ATOM 0 HB3 ASP A 67 13.665 24.995 12.504 1.00 61.03 H new ATOM 1055 N MET A 68 16.362 25.957 11.443 1.00 45.33 N ATOM 1056 CA MET A 68 17.737 25.620 11.795 1.00 12.33 C ATOM 1057 C MET A 68 18.602 26.874 11.869 1.00 2.33 C ATOM 1058 O MET A 68 19.715 26.842 12.394 1.00 53.34 O ATOM 1059 CB MET A 68 18.322 24.642 10.775 1.00 23.23 C ATOM 1060 CG MET A 68 17.575 23.320 10.702 1.00 13.34 C ATOM 1061 SD MET A 68 17.803 22.479 9.124 1.00 44.20 S ATOM 1062 CE MET A 68 16.864 20.979 9.400 1.00 11.53 C ATOM 0 H MET A 68 16.059 25.601 10.536 1.00 45.33 H new ATOM 0 HA MET A 68 17.729 25.147 12.777 1.00 12.33 H new ATOM 0 HB2 MET A 68 18.314 25.109 9.790 1.00 23.23 H new ATOM 0 HB3 MET A 68 19.364 24.447 11.027 1.00 23.23 H new ATOM 0 HG2 MET A 68 17.915 22.670 11.508 1.00 13.34 H new ATOM 0 HG3 MET A 68 16.512 23.499 10.864 1.00 13.34 H new ATOM 0 HE1 MET A 68 16.924 20.344 8.516 1.00 11.53 H new ATOM 0 HE2 MET A 68 17.274 20.446 10.258 1.00 11.53 H new ATOM 0 HE3 MET A 68 15.822 21.233 9.594 1.00 11.53 H new ATOM 1072 N GLY A 69 18.083 27.978 11.340 1.00 4.31 N ATOM 1073 CA GLY A 69 18.823 29.227 11.356 1.00 32.04 C ATOM 1074 C GLY A 69 19.758 29.362 10.171 1.00 1.43 C ATOM 1075 O GLY A 69 20.838 29.942 10.287 1.00 65.42 O ATOM 0 H GLY A 69 17.164 28.030 10.901 1.00 4.31 H new ATOM 0 HA2 GLY A 69 18.122 30.061 11.358 1.00 32.04 H new ATOM 0 HA3 GLY A 69 19.399 29.293 12.279 1.00 32.04 H new ATOM 1079 N PHE A 70 19.344 28.826 9.028 1.00 21.43 N ATOM 1080 CA PHE A 70 20.154 28.887 7.817 1.00 21.13 C ATOM 1081 C PHE A 70 19.455 29.705 6.736 1.00 54.40 C ATOM 1082 O PHE A 70 18.355 30.217 6.945 1.00 42.11 O ATOM 1083 CB PHE A 70 20.442 27.476 7.299 1.00 50.41 C ATOM 1084 CG PHE A 70 21.408 26.709 8.155 1.00 31.44 C ATOM 1085 CD1 PHE A 70 21.077 26.362 9.456 1.00 44.43 C ATOM 1086 CD2 PHE A 70 22.646 26.332 7.660 1.00 11.50 C ATOM 1087 CE1 PHE A 70 21.965 25.657 10.246 1.00 33.40 C ATOM 1088 CE2 PHE A 70 23.537 25.626 8.446 1.00 43.24 C ATOM 1089 CZ PHE A 70 23.196 25.287 9.740 1.00 34.00 C ATOM 0 H PHE A 70 18.452 28.344 8.915 1.00 21.43 H new ATOM 0 HA PHE A 70 21.097 29.375 8.064 1.00 21.13 H new ATOM 0 HB2 PHE A 70 19.505 26.922 7.237 1.00 50.41 H new ATOM 0 HB3 PHE A 70 20.840 27.543 6.287 1.00 50.41 H new ATOM 0 HD1 PHE A 70 20.115 26.646 9.856 1.00 44.43 H new ATOM 0 HD2 PHE A 70 22.918 26.593 6.648 1.00 11.50 H new ATOM 0 HE1 PHE A 70 21.697 25.395 11.259 1.00 33.40 H new ATOM 0 HE2 PHE A 70 24.499 25.340 8.048 1.00 43.24 H new ATOM 0 HZ PHE A 70 23.890 24.734 10.355 1.00 34.00 H new ATOM 1099 N GLU A 71 20.101 29.824 5.581 1.00 44.14 N ATOM 1100 CA GLU A 71 19.542 30.581 4.467 1.00 0.41 C ATOM 1101 C GLU A 71 19.081 29.648 3.351 1.00 3.12 C ATOM 1102 O GLU A 71 18.711 30.096 2.267 1.00 73.24 O ATOM 1103 CB GLU A 71 20.575 31.572 3.925 1.00 71.41 C ATOM 1104 CG GLU A 71 19.959 32.809 3.294 1.00 1.34 C ATOM 1105 CD GLU A 71 19.340 33.740 4.319 1.00 21.44 C ATOM 1106 OE1 GLU A 71 18.159 33.534 4.670 1.00 61.42 O ATOM 1107 OE2 GLU A 71 20.036 34.673 4.771 1.00 54.12 O ATOM 0 H GLU A 71 21.012 29.406 5.392 1.00 44.14 H new ATOM 0 HA GLU A 71 18.677 31.133 4.835 1.00 0.41 H new ATOM 0 HB2 GLU A 71 21.233 31.879 4.738 1.00 71.41 H new ATOM 0 HB3 GLU A 71 21.196 31.068 3.185 1.00 71.41 H new ATOM 0 HG2 GLU A 71 20.725 33.347 2.736 1.00 1.34 H new ATOM 0 HG3 GLU A 71 19.196 32.505 2.577 1.00 1.34 H new ATOM 1114 N ALA A 72 19.108 28.348 3.626 1.00 3.13 N ATOM 1115 CA ALA A 72 18.692 27.351 2.647 1.00 5.44 C ATOM 1116 C ALA A 72 17.414 27.780 1.936 1.00 15.44 C ATOM 1117 O ALA A 72 16.484 28.287 2.563 1.00 13.23 O ATOM 1118 CB ALA A 72 18.497 26.001 3.320 1.00 60.40 C ATOM 0 H ALA A 72 19.414 27.961 4.519 1.00 3.13 H new ATOM 0 HA ALA A 72 19.479 27.261 1.899 1.00 5.44 H new ATOM 0 HB1 ALA A 72 18.186 25.266 2.578 1.00 60.40 H new ATOM 0 HB2 ALA A 72 19.435 25.683 3.776 1.00 60.40 H new ATOM 0 HB3 ALA A 72 17.730 26.086 4.090 1.00 60.40 H new ATOM 1124 N ALA A 73 17.374 27.575 0.624 1.00 21.40 N ATOM 1125 CA ALA A 73 16.208 27.939 -0.172 1.00 5.13 C ATOM 1126 C ALA A 73 15.877 26.853 -1.190 1.00 3.04 C ATOM 1127 O ALA A 73 16.763 26.136 -1.656 1.00 32.41 O ATOM 1128 CB ALA A 73 16.443 29.269 -0.873 1.00 61.31 C ATOM 0 H ALA A 73 18.136 27.158 0.089 1.00 21.40 H new ATOM 0 HA ALA A 73 15.356 28.040 0.501 1.00 5.13 H new ATOM 0 HB1 ALA A 73 15.565 29.529 -1.464 1.00 61.31 H new ATOM 0 HB2 ALA A 73 16.623 30.045 -0.129 1.00 61.31 H new ATOM 0 HB3 ALA A 73 17.310 29.187 -1.529 1.00 61.31 H new ATOM 1134 N ILE A 74 14.598 26.737 -1.529 1.00 51.32 N ATOM 1135 CA ILE A 74 14.151 25.739 -2.492 1.00 60.43 C ATOM 1136 C ILE A 74 14.983 25.795 -3.769 1.00 23.22 C ATOM 1137 O ILE A 74 15.071 26.835 -4.421 1.00 54.32 O ATOM 1138 CB ILE A 74 12.666 25.929 -2.852 1.00 73.24 C ATOM 1139 CG1 ILE A 74 11.821 26.044 -1.582 1.00 21.22 C ATOM 1140 CG2 ILE A 74 12.178 24.775 -3.716 1.00 43.44 C ATOM 1141 CD1 ILE A 74 11.266 27.432 -1.349 1.00 31.52 C ATOM 0 H ILE A 74 13.853 27.322 -1.151 1.00 51.32 H new ATOM 0 HA ILE A 74 14.280 24.765 -2.019 1.00 60.43 H new ATOM 0 HB ILE A 74 12.561 26.853 -3.421 1.00 73.24 H new ATOM 0 HG12 ILE A 74 10.994 25.336 -1.640 1.00 21.22 H new ATOM 0 HG13 ILE A 74 12.428 25.755 -0.724 1.00 21.22 H new ATOM 0 HG21 ILE A 74 11.127 24.924 -3.962 1.00 43.44 H new ATOM 0 HG22 ILE A 74 12.764 24.735 -4.635 1.00 43.44 H new ATOM 0 HG23 ILE A 74 12.294 23.838 -3.171 1.00 43.44 H new ATOM 0 HD11 ILE A 74 10.678 27.439 -0.431 1.00 31.52 H new ATOM 0 HD12 ILE A 74 12.088 28.142 -1.259 1.00 31.52 H new ATOM 0 HD13 ILE A 74 10.632 27.716 -2.189 1.00 31.52 H new ATOM 1153 N LYS A 75 15.593 24.668 -4.121 1.00 74.13 N ATOM 1154 CA LYS A 75 16.416 24.586 -5.322 1.00 20.02 C ATOM 1155 C LYS A 75 15.569 24.775 -6.576 1.00 62.34 C ATOM 1156 O LYS A 75 15.617 25.825 -7.217 1.00 31.13 O ATOM 1157 CB LYS A 75 17.138 23.238 -5.379 1.00 31.20 C ATOM 1158 CG LYS A 75 17.985 23.054 -6.626 1.00 60.22 C ATOM 1159 CD LYS A 75 18.410 21.606 -6.803 1.00 73.33 C ATOM 1160 CE LYS A 75 18.454 21.214 -8.272 1.00 62.52 C ATOM 1161 NZ LYS A 75 19.537 21.927 -9.004 1.00 61.02 N ATOM 0 H LYS A 75 15.533 23.798 -3.591 1.00 74.13 H new ATOM 0 HA LYS A 75 17.155 25.386 -5.281 1.00 20.02 H new ATOM 0 HB2 LYS A 75 17.775 23.139 -4.500 1.00 31.20 H new ATOM 0 HB3 LYS A 75 16.400 22.438 -5.330 1.00 31.20 H new ATOM 0 HG2 LYS A 75 17.421 23.378 -7.501 1.00 60.22 H new ATOM 0 HG3 LYS A 75 18.869 23.689 -6.563 1.00 60.22 H new ATOM 0 HD2 LYS A 75 19.393 21.457 -6.356 1.00 73.33 H new ATOM 0 HD3 LYS A 75 17.716 20.954 -6.272 1.00 73.33 H new ATOM 0 HE2 LYS A 75 18.606 20.138 -8.356 1.00 62.52 H new ATOM 0 HE3 LYS A 75 17.494 21.438 -8.736 1.00 62.52 H new ATOM 0 HZ1 LYS A 75 19.534 21.633 -10.001 1.00 61.02 H new ATOM 0 HZ2 LYS A 75 19.378 22.953 -8.945 1.00 61.02 H new ATOM 0 HZ3 LYS A 75 20.456 21.694 -8.577 1.00 61.02 H new ATOM 1175 N SER A 76 14.794 23.752 -6.921 1.00 32.51 N ATOM 1176 CA SER A 76 13.938 23.804 -8.100 1.00 51.34 C ATOM 1177 C SER A 76 12.567 23.203 -7.804 1.00 43.13 C ATOM 1178 O SER A 76 12.458 22.038 -7.427 1.00 24.32 O ATOM 1179 CB SER A 76 14.593 23.060 -9.266 1.00 11.14 C ATOM 1180 OG SER A 76 13.651 22.781 -10.287 1.00 13.52 O ATOM 0 H SER A 76 14.741 22.876 -6.400 1.00 32.51 H new ATOM 0 HA SER A 76 13.805 24.850 -8.375 1.00 51.34 H new ATOM 0 HB2 SER A 76 15.407 23.660 -9.672 1.00 11.14 H new ATOM 0 HB3 SER A 76 15.031 22.129 -8.907 1.00 11.14 H new ATOM 0 HG SER A 76 14.095 22.307 -11.021 1.00 13.52 H new TER 1186 SER A 76