USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1216 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 117 ASN :FLIP amide:sc= -0.0675 F(o=-0.077,f=0.43) USER MOD Set 1.2: A 121 ASN : amide:sc= 0.496 X(o=0.43,f=0) USER MOD Set 2.1: A 78 ASN : amide:sc= -0.846 K(o=-0.99,f=-5!) USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 104 ASN : amide:sc= -0.139 K(o=-0.99,f=-2.3) USER MOD Set 3.1: A 68 TYR OH : rot 30:sc= -0.0885 USER MOD Set 3.2: A 88 HIS : +bothHN:sc= 0.482 K(o=0.39,f=-3.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= -0.0189 (180deg=-0.178) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 0.22 (180deg=0.0802) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc=-0.00923 (180deg=-0.0876) USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.111) USER MOD Single : A 18 THR OG1 : rot 84:sc= 0.46 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0642 USER MOD Single : A 24 TYR OH : rot -48:sc= 0.764 USER MOD Single : A 26 GLN : amide:sc= -0.835 K(o=-0.84,f=-3.1!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.89 K(o=-0.89,f=-2.9!) USER MOD Single : A 39 ASN : amide:sc= -0.832 K(o=-0.83,f=-8.2!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 46 SER OG : rot 81:sc= 0.976 USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0.321 (180deg=0.221) USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 54 THR OG1 : rot -175:sc= -0.103 USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 0.555 (180deg=0.311) USER MOD Single : A 64 TYR OH : rot 40:sc= 0.0871 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.16) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 30:sc=-0.00567 USER MOD Single : A 74 THR OG1 : rot -87:sc= -0.299 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 89:sc= 0.624 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.124 X(o=0.12,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 159:sc= 1.14 (180deg=0.735) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc=-0.00407 F(o=-0.99,f=-0.0041) USER MOD Single : A 109 THR OG1 : rot -74:sc= 0.606 USER MOD Single : A 110 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.097) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN :FLIP amide:sc= -0.048 F(o=-1.3!,f=-0.048) USER MOD Single : A 125 TYR OH : rot -107:sc= 0.0122 USER MOD Single : A 126 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.3!) USER MOD Single : A 133 THR OG1 : rot 40:sc= 0.71 USER MOD Single : A 136 TYR OH : rot 58:sc= 0.0621 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 144 HIS : no HD1:sc= -0.082 K(o=-0.082,f=-0.58) USER MOD Single : A 145 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 146 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-1.2) USER MOD Single : A 147 HIS : no HD1:sc= 0.13 K(o=0.13,f=-2.1!) USER MOD Single : A 148 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 149 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.216 1.503 -5.958 1.00 52.31 N ATOM 2 CA MET A 1 19.202 2.594 -6.005 1.00 31.03 C ATOM 3 C MET A 1 18.785 2.886 -7.466 1.00 53.14 C ATOM 4 O MET A 1 19.621 3.277 -8.282 1.00 4.21 O ATOM 5 CB MET A 1 19.753 3.889 -5.333 1.00 42.30 C ATOM 6 CG MET A 1 20.028 3.774 -3.825 1.00 34.12 C ATOM 7 SD MET A 1 20.594 5.341 -3.111 1.00 74.51 S ATOM 8 CE MET A 1 20.641 4.962 -1.355 1.00 50.12 C ATOM 0 H1 MET A 1 20.484 1.321 -4.970 1.00 52.31 H new ATOM 0 H2 MET A 1 19.815 0.638 -6.373 1.00 52.31 H new ATOM 0 H3 MET A 1 21.058 1.788 -6.498 1.00 52.31 H new ATOM 0 HA MET A 1 18.323 2.264 -5.451 1.00 31.03 H new ATOM 0 HB2 MET A 1 20.678 4.175 -5.835 1.00 42.30 H new ATOM 0 HB3 MET A 1 19.039 4.696 -5.496 1.00 42.30 H new ATOM 0 HG2 MET A 1 19.120 3.451 -3.315 1.00 34.12 H new ATOM 0 HG3 MET A 1 20.781 3.005 -3.652 1.00 34.12 H new ATOM 0 HE1 MET A 1 20.973 5.841 -0.802 1.00 50.12 H new ATOM 0 HE2 MET A 1 19.645 4.676 -1.018 1.00 50.12 H new ATOM 0 HE3 MET A 1 21.334 4.139 -1.179 1.00 50.12 H new ATOM 20 N LYS A 2 17.491 2.669 -7.788 1.00 21.42 N ATOM 21 CA LYS A 2 16.905 2.993 -9.118 1.00 72.04 C ATOM 22 C LYS A 2 15.525 3.678 -8.959 1.00 32.24 C ATOM 23 O LYS A 2 14.977 3.775 -7.856 1.00 32.15 O ATOM 24 CB LYS A 2 16.736 1.710 -9.996 1.00 52.44 C ATOM 25 CG LYS A 2 18.048 1.000 -10.394 1.00 20.54 C ATOM 26 CD LYS A 2 17.814 -0.203 -11.345 1.00 33.32 C ATOM 27 CE LYS A 2 19.131 -0.860 -11.801 1.00 2.13 C ATOM 28 NZ LYS A 2 20.024 0.103 -12.504 1.00 22.30 N ATOM 0 H LYS A 2 16.819 2.264 -7.136 1.00 21.42 H new ATOM 0 HA LYS A 2 17.597 3.674 -9.614 1.00 72.04 H new ATOM 0 HB2 LYS A 2 16.109 1.001 -9.455 1.00 52.44 H new ATOM 0 HB3 LYS A 2 16.200 1.981 -10.905 1.00 52.44 H new ATOM 0 HG2 LYS A 2 18.712 1.717 -10.878 1.00 20.54 H new ATOM 0 HG3 LYS A 2 18.556 0.653 -9.494 1.00 20.54 H new ATOM 0 HD2 LYS A 2 17.197 -0.946 -10.840 1.00 33.32 H new ATOM 0 HD3 LYS A 2 17.257 0.133 -12.220 1.00 33.32 H new ATOM 0 HE2 LYS A 2 19.650 -1.269 -10.934 1.00 2.13 H new ATOM 0 HE3 LYS A 2 18.908 -1.697 -12.463 1.00 2.13 H new ATOM 0 HZ1 LYS A 2 20.797 -0.416 -12.968 1.00 22.30 H new ATOM 0 HZ2 LYS A 2 19.478 0.624 -13.219 1.00 22.30 H new ATOM 0 HZ3 LYS A 2 20.422 0.774 -11.816 1.00 22.30 H new ATOM 42 N VAL A 3 14.998 4.185 -10.082 1.00 22.04 N ATOM 43 CA VAL A 3 13.578 4.597 -10.203 1.00 21.54 C ATOM 44 C VAL A 3 12.688 3.333 -10.414 1.00 64.44 C ATOM 45 O VAL A 3 11.544 3.272 -9.951 1.00 44.12 O ATOM 46 CB VAL A 3 13.408 5.615 -11.406 1.00 22.50 C ATOM 47 CG1 VAL A 3 11.977 6.202 -11.481 1.00 45.23 C ATOM 48 CG2 VAL A 3 14.466 6.750 -11.331 1.00 60.32 C ATOM 0 H VAL A 3 15.538 4.324 -10.936 1.00 22.04 H new ATOM 0 HA VAL A 3 13.263 5.099 -9.288 1.00 21.54 H new ATOM 0 HB VAL A 3 13.572 5.050 -12.323 1.00 22.50 H new ATOM 0 HG11 VAL A 3 11.911 6.893 -12.321 1.00 45.23 H new ATOM 0 HG12 VAL A 3 11.259 5.394 -11.619 1.00 45.23 H new ATOM 0 HG13 VAL A 3 11.752 6.733 -10.556 1.00 45.23 H new ATOM 0 HG21 VAL A 3 14.326 7.434 -12.168 1.00 60.32 H new ATOM 0 HG22 VAL A 3 14.349 7.295 -10.394 1.00 60.32 H new ATOM 0 HG23 VAL A 3 15.466 6.319 -11.378 1.00 60.32 H new ATOM 58 N PHE A 4 13.274 2.322 -11.116 1.00 24.42 N ATOM 59 CA PHE A 4 12.655 0.999 -11.445 1.00 2.55 C ATOM 60 C PHE A 4 11.480 1.107 -12.469 1.00 51.10 C ATOM 61 O PHE A 4 10.926 0.078 -12.867 1.00 0.34 O ATOM 62 CB PHE A 4 12.187 0.224 -10.168 1.00 70.04 C ATOM 63 CG PHE A 4 13.252 0.027 -9.070 1.00 4.35 C ATOM 64 CD1 PHE A 4 14.183 -1.007 -9.142 1.00 25.14 C ATOM 65 CD2 PHE A 4 13.308 0.879 -7.960 1.00 54.24 C ATOM 66 CE1 PHE A 4 15.131 -1.177 -8.143 1.00 62.21 C ATOM 67 CE2 PHE A 4 14.251 0.704 -6.968 1.00 64.41 C ATOM 68 CZ PHE A 4 15.162 -0.321 -7.059 1.00 5.34 C ATOM 0 H PHE A 4 14.222 2.406 -11.482 1.00 24.42 H new ATOM 0 HA PHE A 4 13.452 0.427 -11.920 1.00 2.55 H new ATOM 0 HB2 PHE A 4 11.340 0.756 -9.734 1.00 70.04 H new ATOM 0 HB3 PHE A 4 11.824 -0.757 -10.475 1.00 70.04 H new ATOM 0 HD1 PHE A 4 14.167 -1.683 -9.984 1.00 25.14 H new ATOM 0 HD2 PHE A 4 12.599 1.689 -7.879 1.00 54.24 H new ATOM 0 HE1 PHE A 4 15.848 -1.982 -8.213 1.00 62.21 H new ATOM 0 HE2 PHE A 4 14.273 1.372 -6.120 1.00 64.41 H new ATOM 0 HZ PHE A 4 15.902 -0.457 -6.284 1.00 5.34 H new ATOM 78 N LYS A 5 11.167 2.347 -12.918 1.00 53.34 N ATOM 79 CA LYS A 5 9.980 2.686 -13.755 1.00 64.33 C ATOM 80 C LYS A 5 9.765 1.731 -14.971 1.00 22.40 C ATOM 81 O LYS A 5 10.616 1.635 -15.862 1.00 14.11 O ATOM 82 CB LYS A 5 10.096 4.163 -14.240 1.00 23.51 C ATOM 83 CG LYS A 5 11.427 4.489 -14.979 1.00 40.41 C ATOM 84 CD LYS A 5 11.389 5.800 -15.801 1.00 74.25 C ATOM 85 CE LYS A 5 10.372 5.754 -16.963 1.00 11.51 C ATOM 86 NZ LYS A 5 10.488 6.939 -17.858 1.00 74.03 N ATOM 0 H LYS A 5 11.744 3.161 -12.706 1.00 53.34 H new ATOM 0 HA LYS A 5 9.103 2.556 -13.122 1.00 64.33 H new ATOM 0 HB2 LYS A 5 9.261 4.382 -14.905 1.00 23.51 H new ATOM 0 HB3 LYS A 5 10.000 4.825 -13.379 1.00 23.51 H new ATOM 0 HG2 LYS A 5 12.230 4.556 -14.245 1.00 40.41 H new ATOM 0 HG3 LYS A 5 11.672 3.662 -15.645 1.00 40.41 H new ATOM 0 HD2 LYS A 5 11.140 6.630 -15.140 1.00 74.25 H new ATOM 0 HD3 LYS A 5 12.382 6.000 -16.203 1.00 74.25 H new ATOM 0 HE2 LYS A 5 10.527 4.845 -17.544 1.00 11.51 H new ATOM 0 HE3 LYS A 5 9.361 5.704 -16.558 1.00 11.51 H new ATOM 0 HZ1 LYS A 5 9.787 6.866 -18.623 1.00 74.03 H new ATOM 0 HZ2 LYS A 5 10.314 7.806 -17.310 1.00 74.03 H new ATOM 0 HZ3 LYS A 5 11.444 6.973 -18.266 1.00 74.03 H new ATOM 100 N ARG A 6 8.658 0.961 -14.924 1.00 53.10 N ATOM 101 CA ARG A 6 8.269 0.003 -15.982 1.00 24.55 C ATOM 102 C ARG A 6 8.238 0.584 -17.431 1.00 24.41 C ATOM 103 O ARG A 6 7.276 1.231 -17.854 1.00 11.52 O ATOM 104 CB ARG A 6 6.913 -0.688 -15.629 1.00 21.10 C ATOM 105 CG ARG A 6 6.663 -2.050 -16.355 1.00 40.20 C ATOM 106 CD ARG A 6 7.497 -3.227 -15.775 1.00 63.45 C ATOM 107 NE ARG A 6 8.964 -2.975 -15.776 1.00 75.32 N ATOM 108 CZ ARG A 6 9.826 -3.424 -14.881 1.00 44.21 C ATOM 109 NH1 ARG A 6 9.462 -4.242 -13.953 1.00 14.23 N ATOM 110 NH2 ARG A 6 11.068 -3.072 -14.938 1.00 41.52 N ATOM 0 H ARG A 6 8.002 0.986 -14.143 1.00 53.10 H new ATOM 0 HA ARG A 6 9.069 -0.737 -15.999 1.00 24.55 H new ATOM 0 HB2 ARG A 6 6.875 -0.854 -14.552 1.00 21.10 H new ATOM 0 HB3 ARG A 6 6.099 -0.006 -15.875 1.00 21.10 H new ATOM 0 HG2 ARG A 6 5.604 -2.299 -16.288 1.00 40.20 H new ATOM 0 HG3 ARG A 6 6.898 -1.936 -17.413 1.00 40.20 H new ATOM 0 HD2 ARG A 6 7.171 -3.423 -14.754 1.00 63.45 H new ATOM 0 HD3 ARG A 6 7.291 -4.127 -16.354 1.00 63.45 H new ATOM 0 HE ARG A 6 9.337 -2.405 -16.535 1.00 75.32 H new ATOM 0 HH11 ARG A 6 8.492 -4.555 -13.900 1.00 14.23 H new ATOM 0 HH12 ARG A 6 10.144 -4.577 -13.272 1.00 14.23 H new ATOM 0 HH21 ARG A 6 11.387 -2.445 -15.676 1.00 41.52 H new ATOM 0 HH22 ARG A 6 11.729 -3.421 -14.245 1.00 41.52 H new ATOM 124 N VAL A 7 9.374 0.382 -18.126 1.00 44.10 N ATOM 125 CA VAL A 7 9.527 0.479 -19.617 1.00 63.30 C ATOM 126 C VAL A 7 8.366 -0.264 -20.395 1.00 53.21 C ATOM 127 O VAL A 7 7.519 -0.931 -19.781 1.00 14.34 O ATOM 128 CB VAL A 7 10.942 -0.127 -20.055 1.00 23.31 C ATOM 129 CG1 VAL A 7 11.385 0.332 -21.472 1.00 23.22 C ATOM 130 CG2 VAL A 7 12.061 0.198 -19.028 1.00 4.43 C ATOM 0 H VAL A 7 10.249 0.138 -17.662 1.00 44.10 H new ATOM 0 HA VAL A 7 9.471 1.535 -19.880 1.00 63.30 H new ATOM 0 HB VAL A 7 10.794 -1.206 -20.083 1.00 23.31 H new ATOM 0 HG11 VAL A 7 12.351 -0.111 -21.713 1.00 23.22 H new ATOM 0 HG12 VAL A 7 10.646 0.011 -22.206 1.00 23.22 H new ATOM 0 HG13 VAL A 7 11.469 1.419 -21.493 1.00 23.22 H new ATOM 0 HG21 VAL A 7 13.003 -0.233 -19.367 1.00 4.43 H new ATOM 0 HG22 VAL A 7 12.169 1.279 -18.937 1.00 4.43 H new ATOM 0 HG23 VAL A 7 11.798 -0.223 -18.058 1.00 4.43 H new ATOM 140 N ALA A 8 8.381 -0.217 -21.754 1.00 41.51 N ATOM 141 CA ALA A 8 7.353 -0.853 -22.587 1.00 13.41 C ATOM 142 C ALA A 8 7.599 -2.376 -22.550 1.00 33.23 C ATOM 143 O ALA A 8 8.735 -2.802 -22.806 1.00 41.02 O ATOM 144 CB ALA A 8 7.439 -0.319 -24.024 1.00 73.34 C ATOM 0 H ALA A 8 9.105 0.262 -22.289 1.00 41.51 H new ATOM 0 HA ALA A 8 6.355 -0.629 -22.211 1.00 13.41 H new ATOM 0 HB1 ALA A 8 6.673 -0.796 -24.636 1.00 73.34 H new ATOM 0 HB2 ALA A 8 7.282 0.760 -24.021 1.00 73.34 H new ATOM 0 HB3 ALA A 8 8.423 -0.541 -24.436 1.00 73.34 H new ATOM 150 N GLY A 9 6.520 -3.161 -22.313 1.00 33.54 N ATOM 151 CA GLY A 9 6.543 -4.558 -21.791 1.00 12.14 C ATOM 152 C GLY A 9 7.884 -5.297 -21.784 1.00 64.45 C ATOM 153 O GLY A 9 8.121 -6.180 -22.619 1.00 25.53 O ATOM 0 H GLY A 9 5.571 -2.830 -22.485 1.00 33.54 H new ATOM 0 HA2 GLY A 9 6.166 -4.539 -20.769 1.00 12.14 H new ATOM 0 HA3 GLY A 9 5.839 -5.147 -22.380 1.00 12.14 H new ATOM 157 N ILE A 10 8.761 -4.917 -20.833 1.00 63.54 N ATOM 158 CA ILE A 10 10.110 -5.499 -20.698 1.00 2.12 C ATOM 159 C ILE A 10 10.024 -6.990 -20.260 1.00 23.30 C ATOM 160 O ILE A 10 9.255 -7.340 -19.352 1.00 23.25 O ATOM 161 CB ILE A 10 10.989 -4.636 -19.699 1.00 42.24 C ATOM 162 CG1 ILE A 10 12.488 -5.078 -19.717 1.00 60.52 C ATOM 163 CG2 ILE A 10 10.422 -4.654 -18.257 1.00 53.24 C ATOM 164 CD1 ILE A 10 13.177 -4.926 -21.069 1.00 3.42 C ATOM 0 H ILE A 10 8.554 -4.199 -20.139 1.00 63.54 H new ATOM 0 HA ILE A 10 10.603 -5.476 -21.670 1.00 2.12 H new ATOM 0 HB ILE A 10 10.941 -3.607 -20.054 1.00 42.24 H new ATOM 0 HG12 ILE A 10 13.035 -4.493 -18.977 1.00 60.52 H new ATOM 0 HG13 ILE A 10 12.550 -6.121 -19.408 1.00 60.52 H new ATOM 0 HG21 ILE A 10 11.057 -4.050 -17.609 1.00 53.24 H new ATOM 0 HG22 ILE A 10 9.411 -4.246 -18.258 1.00 53.24 H new ATOM 0 HG23 ILE A 10 10.398 -5.679 -17.888 1.00 53.24 H new ATOM 0 HD11 ILE A 10 14.213 -5.256 -20.989 1.00 3.42 H new ATOM 0 HD12 ILE A 10 12.659 -5.533 -21.812 1.00 3.42 H new ATOM 0 HD13 ILE A 10 13.152 -3.880 -21.375 1.00 3.42 H new ATOM 176 N LYS A 11 10.804 -7.868 -20.918 1.00 63.45 N ATOM 177 CA LYS A 11 10.680 -9.340 -20.778 1.00 71.43 C ATOM 178 C LYS A 11 11.437 -9.884 -19.542 1.00 22.04 C ATOM 179 O LYS A 11 11.228 -11.036 -19.134 1.00 54.15 O ATOM 180 CB LYS A 11 11.270 -10.013 -22.057 1.00 55.33 C ATOM 181 CG LYS A 11 12.809 -9.856 -22.177 1.00 13.34 C ATOM 182 CD LYS A 11 13.405 -10.375 -23.498 1.00 21.51 C ATOM 183 CE LYS A 11 14.947 -10.281 -23.503 1.00 22.44 C ATOM 184 NZ LYS A 11 15.441 -8.908 -23.172 1.00 25.34 N ATOM 0 H LYS A 11 11.540 -7.581 -21.563 1.00 63.45 H new ATOM 0 HA LYS A 11 9.623 -9.573 -20.650 1.00 71.43 H new ATOM 0 HB2 LYS A 11 11.019 -11.074 -22.050 1.00 55.33 H new ATOM 0 HB3 LYS A 11 10.797 -9.580 -22.938 1.00 55.33 H new ATOM 0 HG2 LYS A 11 13.063 -8.802 -22.069 1.00 13.34 H new ATOM 0 HG3 LYS A 11 13.281 -10.384 -21.348 1.00 13.34 H new ATOM 0 HD2 LYS A 11 13.103 -11.411 -23.652 1.00 21.51 H new ATOM 0 HD3 LYS A 11 13.002 -9.798 -24.331 1.00 21.51 H new ATOM 0 HE2 LYS A 11 15.353 -10.992 -22.784 1.00 22.44 H new ATOM 0 HE3 LYS A 11 15.322 -10.571 -24.485 1.00 22.44 H new ATOM 0 HZ1 LYS A 11 16.469 -8.864 -23.321 1.00 25.34 H new ATOM 0 HZ2 LYS A 11 14.972 -8.213 -23.787 1.00 25.34 H new ATOM 0 HZ3 LYS A 11 15.225 -8.692 -22.178 1.00 25.34 H new ATOM 198 N ASP A 12 12.300 -9.048 -18.951 1.00 72.14 N ATOM 199 CA ASP A 12 13.323 -9.499 -17.997 1.00 54.31 C ATOM 200 C ASP A 12 12.716 -9.692 -16.598 1.00 72.30 C ATOM 201 O ASP A 12 12.330 -8.720 -15.950 1.00 55.43 O ATOM 202 CB ASP A 12 14.478 -8.469 -17.947 1.00 3.20 C ATOM 203 CG ASP A 12 15.286 -8.406 -19.256 1.00 63.12 C ATOM 204 OD1 ASP A 12 14.775 -7.874 -20.268 1.00 4.42 O ATOM 205 OD2 ASP A 12 16.432 -8.901 -19.283 1.00 72.44 O ATOM 0 H ASP A 12 12.310 -8.042 -19.120 1.00 72.14 H new ATOM 0 HA ASP A 12 13.715 -10.460 -18.330 1.00 54.31 H new ATOM 0 HB2 ASP A 12 14.068 -7.482 -17.732 1.00 3.20 H new ATOM 0 HB3 ASP A 12 15.148 -8.722 -17.125 1.00 3.20 H new ATOM 210 N LYS A 13 12.656 -10.960 -16.140 1.00 33.42 N ATOM 211 CA LYS A 13 12.180 -11.317 -14.779 1.00 12.30 C ATOM 212 C LYS A 13 13.120 -10.771 -13.672 1.00 31.23 C ATOM 213 O LYS A 13 12.760 -10.798 -12.507 1.00 32.01 O ATOM 214 CB LYS A 13 11.974 -12.867 -14.641 1.00 50.54 C ATOM 215 CG LYS A 13 10.556 -13.378 -14.999 1.00 35.11 C ATOM 216 CD LYS A 13 10.111 -13.067 -16.450 1.00 40.44 C ATOM 217 CE LYS A 13 8.676 -13.559 -16.736 1.00 64.22 C ATOM 218 NZ LYS A 13 8.531 -15.033 -16.547 1.00 64.41 N ATOM 0 H LYS A 13 12.935 -11.767 -16.699 1.00 33.42 H new ATOM 0 HA LYS A 13 11.212 -10.836 -14.639 1.00 12.30 H new ATOM 0 HB2 LYS A 13 12.697 -13.372 -15.281 1.00 50.54 H new ATOM 0 HB3 LYS A 13 12.199 -13.157 -13.615 1.00 50.54 H new ATOM 0 HG2 LYS A 13 10.522 -14.457 -14.845 1.00 35.11 H new ATOM 0 HG3 LYS A 13 9.838 -12.935 -14.309 1.00 35.11 H new ATOM 0 HD2 LYS A 13 10.166 -11.992 -16.623 1.00 40.44 H new ATOM 0 HD3 LYS A 13 10.801 -13.539 -17.149 1.00 40.44 H new ATOM 0 HE2 LYS A 13 7.979 -13.041 -16.077 1.00 64.22 H new ATOM 0 HE3 LYS A 13 8.402 -13.298 -17.758 1.00 64.22 H new ATOM 0 HZ1 LYS A 13 7.593 -15.335 -16.879 1.00 64.41 H new ATOM 0 HZ2 LYS A 13 9.267 -15.527 -17.091 1.00 64.41 H new ATOM 0 HZ3 LYS A 13 8.632 -15.265 -15.538 1.00 64.41 H new ATOM 232 N ALA A 14 14.311 -10.271 -14.055 1.00 21.43 N ATOM 233 CA ALA A 14 15.202 -9.523 -13.144 1.00 1.04 C ATOM 234 C ALA A 14 14.641 -8.098 -12.922 1.00 71.21 C ATOM 235 O ALA A 14 14.472 -7.641 -11.785 1.00 52.14 O ATOM 236 CB ALA A 14 16.625 -9.469 -13.729 1.00 10.23 C ATOM 0 H ALA A 14 14.682 -10.373 -15.000 1.00 21.43 H new ATOM 0 HA ALA A 14 15.249 -10.031 -12.181 1.00 1.04 H new ATOM 0 HB1 ALA A 14 17.276 -8.916 -13.052 1.00 10.23 H new ATOM 0 HB2 ALA A 14 17.006 -10.483 -13.852 1.00 10.23 H new ATOM 0 HB3 ALA A 14 16.601 -8.970 -14.698 1.00 10.23 H new ATOM 242 N ALA A 15 14.353 -7.424 -14.053 1.00 62.10 N ATOM 243 CA ALA A 15 13.701 -6.094 -14.091 1.00 11.31 C ATOM 244 C ALA A 15 12.306 -6.100 -13.410 1.00 60.44 C ATOM 245 O ALA A 15 11.917 -5.111 -12.784 1.00 12.04 O ATOM 246 CB ALA A 15 13.586 -5.602 -15.546 1.00 51.45 C ATOM 0 H ALA A 15 14.569 -7.791 -14.980 1.00 62.10 H new ATOM 0 HA ALA A 15 14.330 -5.407 -13.524 1.00 11.31 H new ATOM 0 HB1 ALA A 15 13.105 -4.624 -15.562 1.00 51.45 H new ATOM 0 HB2 ALA A 15 14.581 -5.525 -15.984 1.00 51.45 H new ATOM 0 HB3 ALA A 15 12.990 -6.309 -16.123 1.00 51.45 H new ATOM 252 N ILE A 16 11.571 -7.229 -13.532 1.00 63.32 N ATOM 253 CA ILE A 16 10.213 -7.387 -12.957 1.00 54.53 C ATOM 254 C ILE A 16 10.290 -7.671 -11.429 1.00 74.35 C ATOM 255 O ILE A 16 9.617 -7.012 -10.649 1.00 33.35 O ATOM 256 CB ILE A 16 9.406 -8.538 -13.693 1.00 44.12 C ATOM 257 CG1 ILE A 16 9.265 -8.245 -15.226 1.00 31.45 C ATOM 258 CG2 ILE A 16 8.009 -8.778 -13.054 1.00 62.13 C ATOM 259 CD1 ILE A 16 8.440 -7.019 -15.592 1.00 70.24 C ATOM 0 H ILE A 16 11.901 -8.055 -14.031 1.00 63.32 H new ATOM 0 HA ILE A 16 9.679 -6.449 -13.110 1.00 54.53 H new ATOM 0 HB ILE A 16 9.985 -9.453 -13.568 1.00 44.12 H new ATOM 0 HG12 ILE A 16 10.263 -8.127 -15.648 1.00 31.45 H new ATOM 0 HG13 ILE A 16 8.818 -9.117 -15.704 1.00 31.45 H new ATOM 0 HG21 ILE A 16 7.495 -9.574 -13.592 1.00 62.13 H new ATOM 0 HG22 ILE A 16 8.131 -9.065 -12.010 1.00 62.13 H new ATOM 0 HG23 ILE A 16 7.420 -7.862 -13.112 1.00 62.13 H new ATOM 0 HD11 ILE A 16 8.409 -6.912 -16.676 1.00 70.24 H new ATOM 0 HD12 ILE A 16 7.426 -7.135 -15.210 1.00 70.24 H new ATOM 0 HD13 ILE A 16 8.894 -6.131 -15.153 1.00 70.24 H new ATOM 271 N LYS A 17 11.142 -8.634 -11.028 1.00 51.12 N ATOM 272 CA LYS A 17 11.258 -9.100 -9.614 1.00 10.13 C ATOM 273 C LYS A 17 11.843 -8.017 -8.663 1.00 34.20 C ATOM 274 O LYS A 17 11.348 -7.836 -7.548 1.00 4.01 O ATOM 275 CB LYS A 17 12.111 -10.397 -9.578 1.00 32.10 C ATOM 276 CG LYS A 17 12.362 -11.013 -8.184 1.00 31.23 C ATOM 277 CD LYS A 17 13.109 -12.368 -8.272 1.00 31.14 C ATOM 278 CE LYS A 17 13.562 -12.891 -6.899 1.00 25.43 C ATOM 279 NZ LYS A 17 14.610 -12.023 -6.296 1.00 42.55 N ATOM 0 H LYS A 17 11.773 -9.117 -11.667 1.00 51.12 H new ATOM 0 HA LYS A 17 10.253 -9.305 -9.244 1.00 10.13 H new ATOM 0 HB2 LYS A 17 11.621 -11.146 -10.200 1.00 32.10 H new ATOM 0 HB3 LYS A 17 13.077 -10.184 -10.037 1.00 32.10 H new ATOM 0 HG2 LYS A 17 12.944 -10.317 -7.580 1.00 31.23 H new ATOM 0 HG3 LYS A 17 11.409 -11.157 -7.675 1.00 31.23 H new ATOM 0 HD2 LYS A 17 12.458 -13.106 -8.740 1.00 31.14 H new ATOM 0 HD3 LYS A 17 13.980 -12.256 -8.918 1.00 31.14 H new ATOM 0 HE2 LYS A 17 12.704 -12.944 -6.229 1.00 25.43 H new ATOM 0 HE3 LYS A 17 13.947 -13.905 -7.005 1.00 25.43 H new ATOM 0 HZ1 LYS A 17 15.034 -12.507 -5.479 1.00 42.55 H new ATOM 0 HZ2 LYS A 17 15.347 -11.827 -7.003 1.00 42.55 H new ATOM 0 HZ3 LYS A 17 14.182 -11.128 -5.985 1.00 42.55 H new ATOM 293 N THR A 18 12.920 -7.329 -9.095 1.00 61.13 N ATOM 294 CA THR A 18 13.534 -6.197 -8.331 1.00 32.22 C ATOM 295 C THR A 18 12.545 -4.991 -8.178 1.00 70.31 C ATOM 296 O THR A 18 12.500 -4.333 -7.133 1.00 52.43 O ATOM 297 CB THR A 18 14.870 -5.743 -9.014 1.00 30.21 C ATOM 298 OG1 THR A 18 15.719 -6.891 -9.212 1.00 11.03 O ATOM 299 CG2 THR A 18 15.643 -4.703 -8.182 1.00 10.05 C ATOM 0 H THR A 18 13.394 -7.532 -9.975 1.00 61.13 H new ATOM 0 HA THR A 18 13.758 -6.556 -7.326 1.00 32.22 H new ATOM 0 HB THR A 18 14.600 -5.279 -9.962 1.00 30.21 H new ATOM 0 HG1 THR A 18 15.469 -7.343 -10.045 1.00 11.03 H new ATOM 0 HG21 THR A 18 16.559 -4.427 -8.705 1.00 10.05 H new ATOM 0 HG22 THR A 18 15.024 -3.817 -8.041 1.00 10.05 H new ATOM 0 HG23 THR A 18 15.894 -5.128 -7.210 1.00 10.05 H new ATOM 307 N LEU A 19 11.776 -4.753 -9.256 1.00 34.22 N ATOM 308 CA LEU A 19 10.610 -3.809 -9.245 1.00 52.44 C ATOM 309 C LEU A 19 9.636 -4.172 -8.078 1.00 12.21 C ATOM 310 O LEU A 19 9.295 -3.328 -7.253 1.00 23.44 O ATOM 311 CB LEU A 19 9.827 -3.834 -10.582 1.00 41.00 C ATOM 312 CG LEU A 19 8.539 -2.921 -10.652 1.00 70.44 C ATOM 313 CD1 LEU A 19 8.872 -1.457 -10.998 1.00 15.05 C ATOM 314 CD2 LEU A 19 7.482 -3.490 -11.611 1.00 5.11 C ATOM 0 H LEU A 19 11.932 -5.199 -10.160 1.00 34.22 H new ATOM 0 HA LEU A 19 11.012 -2.806 -9.104 1.00 52.44 H new ATOM 0 HB2 LEU A 19 10.504 -3.533 -11.382 1.00 41.00 H new ATOM 0 HB3 LEU A 19 9.530 -4.863 -10.786 1.00 41.00 H new ATOM 0 HG LEU A 19 8.111 -2.924 -9.649 1.00 70.44 H new ATOM 0 HD11 LEU A 19 7.952 -0.873 -11.033 1.00 15.05 H new ATOM 0 HD12 LEU A 19 9.534 -1.045 -10.237 1.00 15.05 H new ATOM 0 HD13 LEU A 19 9.365 -1.416 -11.969 1.00 15.05 H new ATOM 0 HD21 LEU A 19 6.614 -2.831 -11.628 1.00 5.11 H new ATOM 0 HD22 LEU A 19 7.902 -3.563 -12.614 1.00 5.11 H new ATOM 0 HD23 LEU A 19 7.179 -4.481 -11.272 1.00 5.11 H new ATOM 326 N ILE A 20 9.250 -5.462 -8.026 1.00 31.54 N ATOM 327 CA ILE A 20 8.285 -6.024 -7.043 1.00 22.43 C ATOM 328 C ILE A 20 8.823 -6.010 -5.581 1.00 63.43 C ATOM 329 O ILE A 20 8.062 -5.744 -4.642 1.00 54.43 O ATOM 330 CB ILE A 20 7.887 -7.486 -7.503 1.00 20.11 C ATOM 331 CG1 ILE A 20 7.066 -7.418 -8.831 1.00 63.34 C ATOM 332 CG2 ILE A 20 7.123 -8.285 -6.417 1.00 2.15 C ATOM 333 CD1 ILE A 20 6.834 -8.756 -9.508 1.00 70.34 C ATOM 0 H ILE A 20 9.604 -6.162 -8.677 1.00 31.54 H new ATOM 0 HA ILE A 20 7.402 -5.386 -7.028 1.00 22.43 H new ATOM 0 HB ILE A 20 8.815 -8.032 -7.674 1.00 20.11 H new ATOM 0 HG12 ILE A 20 6.099 -6.961 -8.620 1.00 63.34 H new ATOM 0 HG13 ILE A 20 7.584 -6.760 -9.528 1.00 63.34 H new ATOM 0 HG21 ILE A 20 6.881 -9.277 -6.798 1.00 2.15 H new ATOM 0 HG22 ILE A 20 7.747 -8.380 -5.528 1.00 2.15 H new ATOM 0 HG23 ILE A 20 6.203 -7.761 -6.160 1.00 2.15 H new ATOM 0 HD11 ILE A 20 6.256 -8.607 -10.420 1.00 70.34 H new ATOM 0 HD12 ILE A 20 7.794 -9.209 -9.756 1.00 70.34 H new ATOM 0 HD13 ILE A 20 6.285 -9.414 -8.834 1.00 70.34 H new ATOM 345 N SER A 21 10.127 -6.277 -5.398 1.00 64.31 N ATOM 346 CA SER A 21 10.759 -6.302 -4.050 1.00 24.32 C ATOM 347 C SER A 21 10.829 -4.880 -3.439 1.00 71.55 C ATOM 348 O SER A 21 10.395 -4.664 -2.306 1.00 15.40 O ATOM 349 CB SER A 21 12.165 -6.944 -4.106 1.00 15.25 C ATOM 350 OG SER A 21 13.035 -6.233 -4.969 1.00 2.45 O ATOM 0 H SER A 21 10.772 -6.480 -6.162 1.00 64.31 H new ATOM 0 HA SER A 21 10.133 -6.916 -3.403 1.00 24.32 H new ATOM 0 HB2 SER A 21 12.591 -6.973 -3.103 1.00 15.25 H new ATOM 0 HB3 SER A 21 12.080 -7.976 -4.446 1.00 15.25 H new ATOM 0 HG SER A 21 13.914 -6.667 -4.978 1.00 2.45 H new ATOM 356 N ALA A 22 11.405 -3.925 -4.198 1.00 50.42 N ATOM 357 CA ALA A 22 11.392 -2.477 -3.855 1.00 71.42 C ATOM 358 C ALA A 22 9.951 -1.880 -3.743 1.00 42.32 C ATOM 359 O ALA A 22 9.737 -0.896 -3.020 1.00 14.31 O ATOM 360 CB ALA A 22 12.235 -1.712 -4.885 1.00 3.22 C ATOM 0 H ALA A 22 11.895 -4.131 -5.069 1.00 50.42 H new ATOM 0 HA ALA A 22 11.827 -2.366 -2.862 1.00 71.42 H new ATOM 0 HB1 ALA A 22 12.231 -0.650 -4.641 1.00 3.22 H new ATOM 0 HB2 ALA A 22 13.259 -2.085 -4.866 1.00 3.22 H new ATOM 0 HB3 ALA A 22 11.814 -1.858 -5.880 1.00 3.22 H new ATOM 366 N ALA A 23 8.990 -2.498 -4.464 1.00 21.22 N ATOM 367 CA ALA A 23 7.541 -2.161 -4.338 1.00 51.02 C ATOM 368 C ALA A 23 7.033 -2.439 -2.891 1.00 62.33 C ATOM 369 O ALA A 23 6.177 -1.713 -2.371 1.00 33.01 O ATOM 370 CB ALA A 23 6.692 -2.917 -5.373 1.00 1.33 C ATOM 0 H ALA A 23 9.185 -3.235 -5.142 1.00 21.22 H new ATOM 0 HA ALA A 23 7.431 -1.096 -4.541 1.00 51.02 H new ATOM 0 HB1 ALA A 23 5.643 -2.646 -5.251 1.00 1.33 H new ATOM 0 HB2 ALA A 23 7.021 -2.651 -6.378 1.00 1.33 H new ATOM 0 HB3 ALA A 23 6.809 -3.991 -5.225 1.00 1.33 H new ATOM 376 N TYR A 24 7.596 -3.491 -2.246 1.00 31.31 N ATOM 377 CA TYR A 24 7.306 -3.833 -0.830 1.00 42.32 C ATOM 378 C TYR A 24 8.085 -2.920 0.156 1.00 23.14 C ATOM 379 O TYR A 24 7.500 -2.370 1.086 1.00 41.13 O ATOM 380 CB TYR A 24 7.703 -5.303 -0.521 1.00 12.13 C ATOM 381 CG TYR A 24 7.068 -6.391 -1.409 1.00 0.23 C ATOM 382 CD1 TYR A 24 5.699 -6.409 -1.680 1.00 30.44 C ATOM 383 CD2 TYR A 24 7.847 -7.430 -1.936 1.00 23.21 C ATOM 384 CE1 TYR A 24 5.138 -7.414 -2.446 1.00 1.32 C ATOM 385 CE2 TYR A 24 7.287 -8.428 -2.701 1.00 42.11 C ATOM 386 CZ TYR A 24 5.936 -8.417 -2.954 1.00 33.45 C ATOM 387 OH TYR A 24 5.378 -9.418 -3.720 1.00 24.34 O ATOM 0 H TYR A 24 8.261 -4.124 -2.690 1.00 31.31 H new ATOM 0 HA TYR A 24 6.234 -3.689 -0.695 1.00 42.32 H new ATOM 0 HB2 TYR A 24 8.787 -5.387 -0.602 1.00 12.13 H new ATOM 0 HB3 TYR A 24 7.443 -5.515 0.516 1.00 12.13 H new ATOM 0 HD1 TYR A 24 5.068 -5.626 -1.285 1.00 30.44 H new ATOM 0 HD2 TYR A 24 8.909 -7.448 -1.738 1.00 23.21 H new ATOM 0 HE1 TYR A 24 4.077 -7.413 -2.646 1.00 1.32 H new ATOM 0 HE2 TYR A 24 7.907 -9.217 -3.101 1.00 42.11 H new ATOM 0 HH TYR A 24 4.585 -9.774 -3.267 1.00 24.34 H new ATOM 397 N ARG A 25 9.415 -2.784 -0.083 1.00 41.01 N ATOM 398 CA ARG A 25 10.395 -2.162 0.866 1.00 5.11 C ATOM 399 C ARG A 25 9.996 -0.773 1.438 1.00 74.32 C ATOM 400 O ARG A 25 10.464 -0.407 2.518 1.00 11.14 O ATOM 401 CB ARG A 25 11.792 -2.042 0.185 1.00 41.32 C ATOM 402 CG ARG A 25 12.550 -3.373 -0.020 1.00 10.51 C ATOM 403 CD ARG A 25 13.937 -3.164 -0.675 1.00 32.05 C ATOM 404 NE ARG A 25 14.763 -2.161 0.046 1.00 12.32 N ATOM 405 CZ ARG A 25 15.912 -2.390 0.664 1.00 53.41 C ATOM 406 NH1 ARG A 25 16.387 -3.590 0.798 1.00 64.54 N ATOM 407 NH2 ARG A 25 16.562 -1.400 1.187 1.00 21.43 N ATOM 0 H ARG A 25 9.849 -3.105 -0.948 1.00 41.01 H new ATOM 0 HA ARG A 25 10.412 -2.839 1.720 1.00 5.11 H new ATOM 0 HB2 ARG A 25 11.663 -1.564 -0.786 1.00 41.32 H new ATOM 0 HB3 ARG A 25 12.414 -1.379 0.786 1.00 41.32 H new ATOM 0 HG2 ARG A 25 12.676 -3.869 0.943 1.00 10.51 H new ATOM 0 HG3 ARG A 25 11.952 -4.037 -0.644 1.00 10.51 H new ATOM 0 HD2 ARG A 25 14.469 -4.115 -0.703 1.00 32.05 H new ATOM 0 HD3 ARG A 25 13.802 -2.844 -1.708 1.00 32.05 H new ATOM 0 HE ARG A 25 14.411 -1.204 0.067 1.00 12.32 H new ATOM 0 HH11 ARG A 25 15.873 -4.387 0.423 1.00 64.54 H new ATOM 0 HH12 ARG A 25 17.275 -3.736 1.279 1.00 64.54 H new ATOM 0 HH21 ARG A 25 16.189 -0.453 1.121 1.00 21.43 H new ATOM 0 HH22 ARG A 25 17.448 -1.567 1.665 1.00 21.43 H new ATOM 421 N GLN A 26 9.168 -0.001 0.717 1.00 33.34 N ATOM 422 CA GLN A 26 8.706 1.327 1.190 1.00 2.24 C ATOM 423 C GLN A 26 7.421 1.173 2.058 1.00 22.35 C ATOM 424 O GLN A 26 7.424 1.540 3.235 1.00 21.32 O ATOM 425 CB GLN A 26 8.487 2.268 -0.036 1.00 4.13 C ATOM 426 CG GLN A 26 8.487 3.801 0.253 1.00 21.00 C ATOM 427 CD GLN A 26 7.227 4.332 0.953 1.00 33.14 C ATOM 428 OE1 GLN A 26 7.155 4.416 2.179 1.00 1.23 O ATOM 429 NE2 GLN A 26 6.223 4.685 0.179 1.00 51.15 N ATOM 0 H GLN A 26 8.801 -0.268 -0.197 1.00 33.34 H new ATOM 0 HA GLN A 26 9.466 1.782 1.826 1.00 2.24 H new ATOM 0 HB2 GLN A 26 9.266 2.059 -0.769 1.00 4.13 H new ATOM 0 HB3 GLN A 26 7.535 2.008 -0.499 1.00 4.13 H new ATOM 0 HG2 GLN A 26 9.354 4.039 0.870 1.00 21.00 H new ATOM 0 HG3 GLN A 26 8.611 4.333 -0.690 1.00 21.00 H new ATOM 0 HE21 GLN A 26 6.308 4.606 -0.834 1.00 51.15 H new ATOM 0 HE22 GLN A 26 5.360 5.038 0.592 1.00 51.15 H new ATOM 438 N ILE A 27 6.350 0.586 1.471 1.00 72.52 N ATOM 439 CA ILE A 27 5.017 0.449 2.133 1.00 63.41 C ATOM 440 C ILE A 27 5.115 -0.491 3.361 1.00 53.41 C ATOM 441 O ILE A 27 4.763 -0.101 4.478 1.00 65.23 O ATOM 442 CB ILE A 27 3.887 -0.055 1.125 1.00 32.33 C ATOM 443 CG1 ILE A 27 3.547 1.038 0.044 1.00 42.51 C ATOM 444 CG2 ILE A 27 2.584 -0.496 1.868 1.00 1.23 C ATOM 445 CD1 ILE A 27 4.634 1.334 -0.979 1.00 23.02 C ATOM 0 H ILE A 27 6.379 0.194 0.530 1.00 72.52 H new ATOM 0 HA ILE A 27 4.722 1.442 2.470 1.00 63.41 H new ATOM 0 HB ILE A 27 4.297 -0.930 0.620 1.00 32.33 H new ATOM 0 HG12 ILE A 27 2.650 0.724 -0.490 1.00 42.51 H new ATOM 0 HG13 ILE A 27 3.301 1.966 0.561 1.00 42.51 H new ATOM 0 HG21 ILE A 27 1.845 -0.831 1.140 1.00 1.23 H new ATOM 0 HG22 ILE A 27 2.814 -1.312 2.553 1.00 1.23 H new ATOM 0 HG23 ILE A 27 2.183 0.347 2.431 1.00 1.23 H new ATOM 0 HD11 ILE A 27 4.284 2.102 -1.670 1.00 23.02 H new ATOM 0 HD12 ILE A 27 5.529 1.687 -0.467 1.00 23.02 H new ATOM 0 HD13 ILE A 27 4.868 0.426 -1.534 1.00 23.02 H new ATOM 457 N PHE A 28 5.604 -1.723 3.130 1.00 52.43 N ATOM 458 CA PHE A 28 5.885 -2.704 4.204 1.00 44.14 C ATOM 459 C PHE A 28 7.049 -2.261 5.125 1.00 33.45 C ATOM 460 O PHE A 28 7.111 -2.698 6.284 1.00 62.11 O ATOM 461 CB PHE A 28 6.171 -4.106 3.598 1.00 63.52 C ATOM 462 CG PHE A 28 4.916 -4.830 3.121 1.00 51.52 C ATOM 463 CD1 PHE A 28 4.129 -5.538 4.032 1.00 22.01 C ATOM 464 CD2 PHE A 28 4.515 -4.799 1.784 1.00 3.52 C ATOM 465 CE1 PHE A 28 2.989 -6.191 3.623 1.00 54.22 C ATOM 466 CE2 PHE A 28 3.371 -5.454 1.380 1.00 52.23 C ATOM 467 CZ PHE A 28 2.612 -6.148 2.301 1.00 74.22 C ATOM 0 H PHE A 28 5.817 -2.070 2.195 1.00 52.43 H new ATOM 0 HA PHE A 28 4.992 -2.759 4.827 1.00 44.14 H new ATOM 0 HB2 PHE A 28 6.859 -3.997 2.760 1.00 63.52 H new ATOM 0 HB3 PHE A 28 6.674 -4.720 4.345 1.00 63.52 H new ATOM 0 HD1 PHE A 28 4.419 -5.573 5.072 1.00 22.01 H new ATOM 0 HD2 PHE A 28 5.106 -4.257 1.060 1.00 3.52 H new ATOM 0 HE1 PHE A 28 2.391 -6.736 4.339 1.00 54.22 H new ATOM 0 HE2 PHE A 28 3.069 -5.424 0.344 1.00 52.23 H new ATOM 0 HZ PHE A 28 1.717 -6.660 1.981 1.00 74.22 H new ATOM 477 N GLU A 29 7.981 -1.444 4.584 1.00 0.43 N ATOM 478 CA GLU A 29 9.118 -0.858 5.350 1.00 11.41 C ATOM 479 C GLU A 29 10.101 -1.987 5.769 1.00 40.14 C ATOM 480 O GLU A 29 10.779 -1.931 6.801 1.00 62.54 O ATOM 481 CB GLU A 29 8.591 -0.005 6.559 1.00 44.10 C ATOM 482 CG GLU A 29 9.639 0.911 7.241 1.00 32.42 C ATOM 483 CD GLU A 29 9.115 1.636 8.496 1.00 54.22 C ATOM 484 OE1 GLU A 29 8.927 0.975 9.543 1.00 73.50 O ATOM 485 OE2 GLU A 29 8.887 2.867 8.445 1.00 10.13 O ATOM 0 H GLU A 29 7.971 -1.168 3.602 1.00 0.43 H new ATOM 0 HA GLU A 29 9.677 -0.167 4.719 1.00 11.41 H new ATOM 0 HB2 GLU A 29 7.765 0.615 6.210 1.00 44.10 H new ATOM 0 HB3 GLU A 29 8.185 -0.683 7.309 1.00 44.10 H new ATOM 0 HG2 GLU A 29 10.507 0.311 7.516 1.00 32.42 H new ATOM 0 HG3 GLU A 29 9.981 1.654 6.521 1.00 32.42 H new ATOM 492 N ARG A 30 10.175 -2.999 4.890 1.00 44.15 N ATOM 493 CA ARG A 30 10.919 -4.244 5.122 1.00 41.35 C ATOM 494 C ARG A 30 11.037 -5.051 3.812 1.00 51.21 C ATOM 495 O ARG A 30 10.178 -4.952 2.918 1.00 55.53 O ATOM 496 CB ARG A 30 10.203 -5.115 6.203 1.00 43.35 C ATOM 497 CG ARG A 30 8.769 -5.573 5.823 1.00 62.52 C ATOM 498 CD ARG A 30 8.106 -6.460 6.899 1.00 25.40 C ATOM 499 NE ARG A 30 7.850 -5.701 8.135 1.00 1.31 N ATOM 500 CZ ARG A 30 7.510 -6.199 9.308 1.00 75.13 C ATOM 501 NH1 ARG A 30 7.232 -7.459 9.474 1.00 41.01 N ATOM 502 NH2 ARG A 30 7.425 -5.402 10.317 1.00 70.41 N ATOM 0 H ARG A 30 9.711 -2.973 3.982 1.00 44.15 H new ATOM 0 HA ARG A 30 11.916 -3.982 5.475 1.00 41.35 H new ATOM 0 HB2 ARG A 30 10.811 -5.998 6.400 1.00 43.35 H new ATOM 0 HB3 ARG A 30 10.154 -4.548 7.133 1.00 43.35 H new ATOM 0 HG2 ARG A 30 8.147 -4.694 5.653 1.00 62.52 H new ATOM 0 HG3 ARG A 30 8.808 -6.122 4.882 1.00 62.52 H new ATOM 0 HD2 ARG A 30 7.168 -6.861 6.515 1.00 25.40 H new ATOM 0 HD3 ARG A 30 8.750 -7.311 7.119 1.00 25.40 H new ATOM 0 HE ARG A 30 7.945 -4.687 8.078 1.00 1.31 H new ATOM 0 HH11 ARG A 30 7.273 -8.099 8.681 1.00 41.01 H new ATOM 0 HH12 ARG A 30 6.973 -7.807 10.397 1.00 41.01 H new ATOM 0 HH21 ARG A 30 7.619 -4.408 10.199 1.00 70.41 H new ATOM 0 HH22 ARG A 30 7.164 -5.766 11.233 1.00 70.41 H new ATOM 516 N ASP A 31 12.119 -5.821 3.700 1.00 33.12 N ATOM 517 CA ASP A 31 12.243 -6.881 2.692 1.00 23.31 C ATOM 518 C ASP A 31 11.325 -8.084 3.058 1.00 74.20 C ATOM 519 O ASP A 31 11.572 -8.778 4.055 1.00 63.31 O ATOM 520 CB ASP A 31 13.718 -7.341 2.587 1.00 72.44 C ATOM 521 CG ASP A 31 14.661 -6.239 2.077 1.00 21.43 C ATOM 522 OD1 ASP A 31 14.851 -6.128 0.844 1.00 44.45 O ATOM 523 OD2 ASP A 31 15.217 -5.482 2.908 1.00 30.23 O ATOM 0 H ASP A 31 12.936 -5.730 4.304 1.00 33.12 H new ATOM 0 HA ASP A 31 11.928 -6.488 1.726 1.00 23.31 H new ATOM 0 HB2 ASP A 31 14.058 -7.676 3.567 1.00 72.44 H new ATOM 0 HB3 ASP A 31 13.777 -8.199 1.918 1.00 72.44 H new ATOM 528 N ILE A 32 10.232 -8.276 2.283 1.00 51.52 N ATOM 529 CA ILE A 32 9.408 -9.514 2.341 1.00 13.32 C ATOM 530 C ILE A 32 10.294 -10.727 1.956 1.00 11.43 C ATOM 531 O ILE A 32 11.024 -10.659 0.957 1.00 60.32 O ATOM 532 CB ILE A 32 8.162 -9.426 1.364 1.00 64.54 C ATOM 533 CG1 ILE A 32 7.236 -8.213 1.724 1.00 0.34 C ATOM 534 CG2 ILE A 32 7.346 -10.749 1.353 1.00 21.13 C ATOM 535 CD1 ILE A 32 6.452 -8.341 3.013 1.00 75.23 C ATOM 0 H ILE A 32 9.897 -7.589 1.607 1.00 51.52 H new ATOM 0 HA ILE A 32 9.027 -9.632 3.355 1.00 13.32 H new ATOM 0 HB ILE A 32 8.557 -9.267 0.360 1.00 64.54 H new ATOM 0 HG12 ILE A 32 7.852 -7.315 1.783 1.00 0.34 H new ATOM 0 HG13 ILE A 32 6.531 -8.063 0.906 1.00 0.34 H new ATOM 0 HG21 ILE A 32 6.501 -10.649 0.672 1.00 21.13 H new ATOM 0 HG22 ILE A 32 7.985 -11.568 1.021 1.00 21.13 H new ATOM 0 HG23 ILE A 32 6.980 -10.959 2.358 1.00 21.13 H new ATOM 0 HD11 ILE A 32 5.847 -7.446 3.161 1.00 75.23 H new ATOM 0 HD12 ILE A 32 5.802 -9.214 2.958 1.00 75.23 H new ATOM 0 HD13 ILE A 32 7.142 -8.455 3.849 1.00 75.23 H new ATOM 547 N ALA A 33 10.235 -11.822 2.741 1.00 63.43 N ATOM 548 CA ALA A 33 11.098 -13.000 2.525 1.00 25.12 C ATOM 549 C ALA A 33 10.745 -13.698 1.180 1.00 51.24 C ATOM 550 O ALA A 33 9.558 -13.821 0.867 1.00 32.25 O ATOM 551 CB ALA A 33 10.953 -13.955 3.718 1.00 62.43 C ATOM 0 H ALA A 33 9.597 -11.914 3.532 1.00 63.43 H new ATOM 0 HA ALA A 33 12.140 -12.686 2.457 1.00 25.12 H new ATOM 0 HB1 ALA A 33 11.588 -14.828 3.565 1.00 62.43 H new ATOM 0 HB2 ALA A 33 11.254 -13.443 4.632 1.00 62.43 H new ATOM 0 HB3 ALA A 33 9.914 -14.273 3.805 1.00 62.43 H new ATOM 557 N PRO A 34 11.773 -14.149 0.371 1.00 10.32 N ATOM 558 CA PRO A 34 11.575 -14.653 -1.032 1.00 75.21 C ATOM 559 C PRO A 34 10.404 -15.660 -1.209 1.00 45.00 C ATOM 560 O PRO A 34 9.626 -15.560 -2.166 1.00 12.12 O ATOM 561 CB PRO A 34 12.934 -15.325 -1.350 1.00 64.12 C ATOM 562 CG PRO A 34 13.927 -14.541 -0.542 1.00 64.44 C ATOM 563 CD PRO A 34 13.217 -14.200 0.757 1.00 41.30 C ATOM 0 HA PRO A 34 11.296 -13.839 -1.701 1.00 75.21 H new ATOM 0 HB2 PRO A 34 12.934 -16.378 -1.069 1.00 64.12 H new ATOM 0 HB3 PRO A 34 13.162 -15.280 -2.415 1.00 64.12 H new ATOM 0 HG2 PRO A 34 14.828 -15.125 -0.355 1.00 64.44 H new ATOM 0 HG3 PRO A 34 14.236 -13.638 -1.069 1.00 64.44 H new ATOM 0 HD2 PRO A 34 13.400 -14.954 1.523 1.00 41.30 H new ATOM 0 HD3 PRO A 34 13.557 -13.246 1.161 1.00 41.30 H new ATOM 571 N TYR A 35 10.285 -16.615 -0.265 1.00 64.31 N ATOM 572 CA TYR A 35 9.232 -17.658 -0.298 1.00 23.42 C ATOM 573 C TYR A 35 7.810 -17.088 -0.016 1.00 35.41 C ATOM 574 O TYR A 35 6.832 -17.566 -0.584 1.00 74.10 O ATOM 575 CB TYR A 35 9.583 -18.834 0.660 1.00 33.32 C ATOM 576 CG TYR A 35 9.724 -18.467 2.152 1.00 54.31 C ATOM 577 CD1 TYR A 35 10.884 -17.855 2.641 1.00 64.21 C ATOM 578 CD2 TYR A 35 8.707 -18.755 3.071 1.00 40.31 C ATOM 579 CE1 TYR A 35 11.019 -17.543 3.978 1.00 53.12 C ATOM 580 CE2 TYR A 35 8.844 -18.441 4.408 1.00 32.45 C ATOM 581 CZ TYR A 35 9.998 -17.834 4.856 1.00 65.52 C ATOM 582 OH TYR A 35 10.131 -17.516 6.190 1.00 61.54 O ATOM 0 H TYR A 35 10.910 -16.688 0.538 1.00 64.31 H new ATOM 0 HA TYR A 35 9.204 -18.048 -1.315 1.00 23.42 H new ATOM 0 HB2 TYR A 35 8.811 -19.598 0.565 1.00 33.32 H new ATOM 0 HB3 TYR A 35 10.518 -19.283 0.326 1.00 33.32 H new ATOM 0 HD1 TYR A 35 11.688 -17.623 1.959 1.00 64.21 H new ATOM 0 HD2 TYR A 35 7.800 -19.231 2.728 1.00 40.31 H new ATOM 0 HE1 TYR A 35 11.923 -17.072 4.335 1.00 53.12 H new ATOM 0 HE2 TYR A 35 8.049 -18.670 5.102 1.00 32.45 H new ATOM 0 HH TYR A 35 9.322 -17.786 6.673 1.00 61.54 H new ATOM 592 N ILE A 36 7.719 -16.044 0.834 1.00 53.03 N ATOM 593 CA ILE A 36 6.429 -15.379 1.178 1.00 51.43 C ATOM 594 C ILE A 36 5.911 -14.526 -0.009 1.00 32.13 C ATOM 595 O ILE A 36 4.718 -14.544 -0.329 1.00 52.20 O ATOM 596 CB ILE A 36 6.582 -14.476 2.463 1.00 2.13 C ATOM 597 CG1 ILE A 36 7.195 -15.311 3.630 1.00 34.52 C ATOM 598 CG2 ILE A 36 5.227 -13.835 2.882 1.00 12.32 C ATOM 599 CD1 ILE A 36 7.386 -14.568 4.939 1.00 44.02 C ATOM 0 H ILE A 36 8.527 -15.635 1.302 1.00 53.03 H new ATOM 0 HA ILE A 36 5.701 -16.163 1.389 1.00 51.43 H new ATOM 0 HB ILE A 36 7.259 -13.656 2.224 1.00 2.13 H new ATOM 0 HG12 ILE A 36 6.553 -16.173 3.813 1.00 34.52 H new ATOM 0 HG13 ILE A 36 8.162 -15.697 3.308 1.00 34.52 H new ATOM 0 HG21 ILE A 36 5.374 -13.221 3.770 1.00 12.32 H new ATOM 0 HG22 ILE A 36 4.852 -13.213 2.069 1.00 12.32 H new ATOM 0 HG23 ILE A 36 4.505 -14.621 3.100 1.00 12.32 H new ATOM 0 HD11 ILE A 36 7.817 -15.241 5.680 1.00 44.02 H new ATOM 0 HD12 ILE A 36 8.056 -13.723 4.783 1.00 44.02 H new ATOM 0 HD13 ILE A 36 6.422 -14.206 5.296 1.00 44.02 H new ATOM 611 N ALA A 37 6.831 -13.796 -0.660 1.00 21.31 N ATOM 612 CA ALA A 37 6.515 -12.953 -1.837 1.00 2.42 C ATOM 613 C ALA A 37 6.015 -13.793 -3.041 1.00 75.42 C ATOM 614 O ALA A 37 5.123 -13.364 -3.785 1.00 54.41 O ATOM 615 CB ALA A 37 7.757 -12.136 -2.232 1.00 12.14 C ATOM 0 H ALA A 37 7.814 -13.770 -0.390 1.00 21.31 H new ATOM 0 HA ALA A 37 5.704 -12.280 -1.560 1.00 2.42 H new ATOM 0 HB1 ALA A 37 7.524 -11.516 -3.098 1.00 12.14 H new ATOM 0 HB2 ALA A 37 8.054 -11.499 -1.399 1.00 12.14 H new ATOM 0 HB3 ALA A 37 8.574 -12.813 -2.480 1.00 12.14 H new ATOM 621 N GLN A 38 6.600 -15.001 -3.202 1.00 43.33 N ATOM 622 CA GLN A 38 6.299 -15.890 -4.349 1.00 42.32 C ATOM 623 C GLN A 38 4.965 -16.666 -4.153 1.00 12.03 C ATOM 624 O GLN A 38 4.264 -16.912 -5.127 1.00 52.31 O ATOM 625 CB GLN A 38 7.480 -16.861 -4.667 1.00 62.12 C ATOM 626 CG GLN A 38 7.672 -18.041 -3.690 1.00 14.34 C ATOM 627 CD GLN A 38 8.882 -18.941 -3.997 1.00 11.34 C ATOM 628 OE1 GLN A 38 9.499 -19.502 -3.097 1.00 1.34 O ATOM 629 NE2 GLN A 38 9.229 -19.111 -5.259 1.00 71.51 N ATOM 0 H GLN A 38 7.285 -15.384 -2.551 1.00 43.33 H new ATOM 0 HA GLN A 38 6.172 -15.242 -5.216 1.00 42.32 H new ATOM 0 HB2 GLN A 38 7.331 -17.265 -5.668 1.00 62.12 H new ATOM 0 HB3 GLN A 38 8.403 -16.282 -4.691 1.00 62.12 H new ATOM 0 HG2 GLN A 38 7.778 -17.645 -2.680 1.00 14.34 H new ATOM 0 HG3 GLN A 38 6.770 -18.653 -3.699 1.00 14.34 H new ATOM 0 HE21 GLN A 38 8.709 -18.640 -5.999 1.00 71.51 H new ATOM 0 HE22 GLN A 38 10.017 -19.714 -5.494 1.00 71.51 H new ATOM 638 N ASN A 39 4.628 -17.092 -2.899 1.00 73.02 N ATOM 639 CA ASN A 39 3.370 -17.854 -2.633 1.00 51.33 C ATOM 640 C ASN A 39 2.115 -16.940 -2.497 1.00 10.45 C ATOM 641 O ASN A 39 1.053 -17.257 -3.053 1.00 63.11 O ATOM 642 CB ASN A 39 3.517 -18.840 -1.426 1.00 62.03 C ATOM 643 CG ASN A 39 3.887 -18.225 -0.066 1.00 53.40 C ATOM 644 OD1 ASN A 39 3.549 -17.101 0.261 1.00 2.42 O ATOM 645 ND2 ASN A 39 4.585 -18.988 0.757 1.00 11.14 N ATOM 0 H ASN A 39 5.199 -16.924 -2.071 1.00 73.02 H new ATOM 0 HA ASN A 39 3.200 -18.463 -3.521 1.00 51.33 H new ATOM 0 HB2 ASN A 39 2.576 -19.377 -1.310 1.00 62.03 H new ATOM 0 HB3 ASN A 39 4.276 -19.579 -1.682 1.00 62.03 H new ATOM 0 HD21 ASN A 39 4.847 -18.638 1.678 1.00 11.14 H new ATOM 0 HD22 ASN A 39 4.862 -19.927 0.471 1.00 11.14 H new ATOM 652 N GLU A 40 2.239 -15.813 -1.760 1.00 50.40 N ATOM 653 CA GLU A 40 1.108 -14.876 -1.526 1.00 42.15 C ATOM 654 C GLU A 40 0.777 -14.051 -2.788 1.00 64.05 C ATOM 655 O GLU A 40 -0.335 -14.117 -3.312 1.00 24.14 O ATOM 656 CB GLU A 40 1.456 -13.901 -0.350 1.00 51.33 C ATOM 657 CG GLU A 40 1.464 -14.531 1.060 1.00 44.22 C ATOM 658 CD GLU A 40 0.053 -14.911 1.551 1.00 70.10 C ATOM 659 OE1 GLU A 40 -0.753 -13.992 1.831 1.00 52.52 O ATOM 660 OE2 GLU A 40 -0.268 -16.116 1.643 1.00 34.45 O ATOM 0 H GLU A 40 3.111 -15.527 -1.315 1.00 50.40 H new ATOM 0 HA GLU A 40 0.234 -15.475 -1.271 1.00 42.15 H new ATOM 0 HB2 GLU A 40 2.438 -13.467 -0.540 1.00 51.33 H new ATOM 0 HB3 GLU A 40 0.738 -13.081 -0.358 1.00 51.33 H new ATOM 0 HG2 GLU A 40 2.093 -15.421 1.052 1.00 44.22 H new ATOM 0 HG3 GLU A 40 1.912 -13.830 1.764 1.00 44.22 H new ATOM 667 N PHE A 41 1.760 -13.274 -3.262 1.00 3.12 N ATOM 668 CA PHE A 41 1.596 -12.411 -4.457 1.00 63.54 C ATOM 669 C PHE A 41 1.964 -13.122 -5.799 1.00 44.02 C ATOM 670 O PHE A 41 2.468 -12.475 -6.714 1.00 64.52 O ATOM 671 CB PHE A 41 2.440 -11.117 -4.232 1.00 74.54 C ATOM 672 CG PHE A 41 2.091 -10.354 -2.928 1.00 74.12 C ATOM 673 CD1 PHE A 41 0.916 -9.600 -2.836 1.00 13.11 C ATOM 674 CD2 PHE A 41 2.927 -10.402 -1.797 1.00 40.02 C ATOM 675 CE1 PHE A 41 0.591 -8.920 -1.673 1.00 42.33 C ATOM 676 CE2 PHE A 41 2.597 -9.719 -0.638 1.00 34.41 C ATOM 677 CZ PHE A 41 1.432 -8.978 -0.578 1.00 53.40 C ATOM 0 H PHE A 41 2.686 -13.220 -2.838 1.00 3.12 H new ATOM 0 HA PHE A 41 0.540 -12.163 -4.565 1.00 63.54 H new ATOM 0 HB2 PHE A 41 3.497 -11.384 -4.213 1.00 74.54 H new ATOM 0 HB3 PHE A 41 2.295 -10.449 -5.081 1.00 74.54 H new ATOM 0 HD1 PHE A 41 0.251 -9.547 -3.685 1.00 13.11 H new ATOM 0 HD2 PHE A 41 3.839 -10.980 -1.833 1.00 40.02 H new ATOM 0 HE1 PHE A 41 -0.321 -8.344 -1.622 1.00 42.33 H new ATOM 0 HE2 PHE A 41 3.251 -9.766 0.220 1.00 34.41 H new ATOM 0 HZ PHE A 41 1.179 -8.444 0.326 1.00 53.40 H new ATOM 687 N SER A 42 1.625 -14.433 -5.939 1.00 60.21 N ATOM 688 CA SER A 42 1.900 -15.211 -7.190 1.00 24.03 C ATOM 689 C SER A 42 0.962 -14.773 -8.344 1.00 21.15 C ATOM 690 O SER A 42 1.419 -14.471 -9.447 1.00 10.21 O ATOM 691 CB SER A 42 1.748 -16.737 -6.947 1.00 71.21 C ATOM 692 OG SER A 42 0.423 -17.097 -6.574 1.00 50.30 O ATOM 0 H SER A 42 1.163 -14.975 -5.208 1.00 60.21 H new ATOM 0 HA SER A 42 2.930 -15.000 -7.477 1.00 24.03 H new ATOM 0 HB2 SER A 42 2.027 -17.276 -7.852 1.00 71.21 H new ATOM 0 HB3 SER A 42 2.440 -17.048 -6.165 1.00 71.21 H new ATOM 0 HG SER A 42 0.375 -18.066 -6.433 1.00 50.30 H new ATOM 698 N GLY A 43 -0.354 -14.720 -8.056 1.00 12.01 N ATOM 699 CA GLY A 43 -1.367 -14.220 -8.999 1.00 23.14 C ATOM 700 C GLY A 43 -1.273 -12.704 -9.238 1.00 13.32 C ATOM 701 O GLY A 43 -1.622 -12.217 -10.308 1.00 43.14 O ATOM 0 H GLY A 43 -0.741 -15.023 -7.163 1.00 12.01 H new ATOM 0 HA2 GLY A 43 -1.256 -14.739 -9.951 1.00 23.14 H new ATOM 0 HA3 GLY A 43 -2.359 -14.461 -8.618 1.00 23.14 H new ATOM 705 N TRP A 44 -0.755 -11.986 -8.226 1.00 11.54 N ATOM 706 CA TRP A 44 -0.742 -10.503 -8.176 1.00 21.23 C ATOM 707 C TRP A 44 0.444 -9.937 -9.008 1.00 61.30 C ATOM 708 O TRP A 44 0.302 -8.928 -9.715 1.00 74.43 O ATOM 709 CB TRP A 44 -0.681 -10.059 -6.686 1.00 5.42 C ATOM 710 CG TRP A 44 -0.871 -8.573 -6.415 1.00 40.45 C ATOM 711 CD1 TRP A 44 -0.018 -7.751 -5.724 1.00 15.45 C ATOM 712 CD2 TRP A 44 -1.994 -7.742 -6.789 1.00 70.24 C ATOM 713 NE1 TRP A 44 -0.522 -6.479 -5.670 1.00 64.41 N ATOM 714 CE2 TRP A 44 -1.728 -6.444 -6.311 1.00 2.02 C ATOM 715 CE3 TRP A 44 -3.191 -7.958 -7.488 1.00 2.04 C ATOM 716 CZ2 TRP A 44 -2.604 -5.383 -6.504 1.00 1.34 C ATOM 717 CZ3 TRP A 44 -4.062 -6.895 -7.677 1.00 22.33 C ATOM 718 CH2 TRP A 44 -3.760 -5.620 -7.188 1.00 31.43 C ATOM 0 H TRP A 44 -0.327 -12.419 -7.407 1.00 11.54 H new ATOM 0 HA TRP A 44 -1.652 -10.101 -8.622 1.00 21.23 H new ATOM 0 HB2 TRP A 44 -1.445 -10.607 -6.134 1.00 5.42 H new ATOM 0 HB3 TRP A 44 0.284 -10.360 -6.279 1.00 5.42 H new ATOM 0 HD1 TRP A 44 0.918 -8.063 -5.285 1.00 15.45 H new ATOM 0 HE1 TRP A 44 -0.068 -5.683 -5.222 1.00 64.41 H new ATOM 0 HE3 TRP A 44 -3.431 -8.938 -7.873 1.00 2.04 H new ATOM 0 HZ2 TRP A 44 -2.376 -4.398 -6.123 1.00 1.34 H new ATOM 0 HZ3 TRP A 44 -4.988 -7.054 -8.210 1.00 22.33 H new ATOM 0 HH2 TRP A 44 -4.454 -4.809 -7.355 1.00 31.43 H new ATOM 729 N GLU A 45 1.612 -10.620 -8.925 1.00 25.44 N ATOM 730 CA GLU A 45 2.799 -10.312 -9.763 1.00 0.03 C ATOM 731 C GLU A 45 2.554 -10.664 -11.256 1.00 44.34 C ATOM 732 O GLU A 45 3.136 -10.041 -12.143 1.00 4.32 O ATOM 733 CB GLU A 45 4.066 -11.056 -9.243 1.00 41.05 C ATOM 734 CG GLU A 45 4.115 -12.583 -9.511 1.00 5.45 C ATOM 735 CD GLU A 45 5.487 -13.219 -9.202 1.00 51.53 C ATOM 736 OE1 GLU A 45 6.357 -13.255 -10.115 1.00 32.21 O ATOM 737 OE2 GLU A 45 5.701 -13.674 -8.052 1.00 61.35 O ATOM 0 H GLU A 45 1.758 -11.396 -8.279 1.00 25.44 H new ATOM 0 HA GLU A 45 2.969 -9.238 -9.688 1.00 0.03 H new ATOM 0 HB2 GLU A 45 4.944 -10.599 -9.699 1.00 41.05 H new ATOM 0 HB3 GLU A 45 4.143 -10.893 -8.168 1.00 41.05 H new ATOM 0 HG2 GLU A 45 3.352 -13.074 -8.908 1.00 5.45 H new ATOM 0 HG3 GLU A 45 3.864 -12.769 -10.555 1.00 5.45 H new ATOM 744 N SER A 46 1.692 -11.679 -11.500 1.00 54.23 N ATOM 745 CA SER A 46 1.342 -12.154 -12.867 1.00 3.54 C ATOM 746 C SER A 46 0.573 -11.082 -13.669 1.00 60.14 C ATOM 747 O SER A 46 0.756 -10.951 -14.879 1.00 42.11 O ATOM 748 CB SER A 46 0.494 -13.447 -12.790 1.00 35.34 C ATOM 749 OG SER A 46 1.243 -14.538 -12.272 1.00 14.54 O ATOM 0 H SER A 46 1.218 -12.194 -10.758 1.00 54.23 H new ATOM 0 HA SER A 46 2.279 -12.360 -13.385 1.00 3.54 H new ATOM 0 HB2 SER A 46 -0.378 -13.273 -12.160 1.00 35.34 H new ATOM 0 HB3 SER A 46 0.124 -13.699 -13.784 1.00 35.34 H new ATOM 0 HG SER A 46 1.266 -14.484 -11.294 1.00 14.54 H new ATOM 755 N LYS A 47 -0.290 -10.331 -12.963 1.00 32.30 N ATOM 756 CA LYS A 47 -1.085 -9.219 -13.541 1.00 15.43 C ATOM 757 C LYS A 47 -0.176 -8.043 -13.953 1.00 53.41 C ATOM 758 O LYS A 47 -0.406 -7.387 -14.972 1.00 55.25 O ATOM 759 CB LYS A 47 -2.122 -8.747 -12.495 1.00 43.32 C ATOM 760 CG LYS A 47 -3.021 -9.880 -11.955 1.00 23.51 C ATOM 761 CD LYS A 47 -3.961 -9.417 -10.827 1.00 64.02 C ATOM 762 CE LYS A 47 -4.949 -8.334 -11.289 1.00 52.32 C ATOM 763 NZ LYS A 47 -5.827 -8.809 -12.389 1.00 34.23 N ATOM 0 H LYS A 47 -0.461 -10.475 -11.968 1.00 32.30 H new ATOM 0 HA LYS A 47 -1.594 -9.576 -14.436 1.00 15.43 H new ATOM 0 HB2 LYS A 47 -1.597 -8.283 -11.660 1.00 43.32 H new ATOM 0 HB3 LYS A 47 -2.752 -7.978 -12.942 1.00 43.32 H new ATOM 0 HG2 LYS A 47 -3.616 -10.285 -12.773 1.00 23.51 H new ATOM 0 HG3 LYS A 47 -2.392 -10.691 -11.587 1.00 23.51 H new ATOM 0 HD2 LYS A 47 -4.518 -10.274 -10.448 1.00 64.02 H new ATOM 0 HD3 LYS A 47 -3.366 -9.032 -9.999 1.00 64.02 H new ATOM 0 HE2 LYS A 47 -5.564 -8.021 -10.445 1.00 52.32 H new ATOM 0 HE3 LYS A 47 -4.394 -7.457 -11.622 1.00 52.32 H new ATOM 0 HZ1 LYS A 47 -6.553 -8.091 -12.588 1.00 34.23 H new ATOM 0 HZ2 LYS A 47 -5.256 -8.971 -13.243 1.00 34.23 H new ATOM 0 HZ3 LYS A 47 -6.287 -9.698 -12.107 1.00 34.23 H new ATOM 777 N LEU A 48 0.854 -7.797 -13.124 1.00 23.33 N ATOM 778 CA LEU A 48 1.888 -6.774 -13.375 1.00 24.03 C ATOM 779 C LEU A 48 2.808 -7.194 -14.561 1.00 63.43 C ATOM 780 O LEU A 48 3.214 -6.357 -15.377 1.00 70.41 O ATOM 781 CB LEU A 48 2.705 -6.564 -12.069 1.00 11.12 C ATOM 782 CG LEU A 48 3.713 -5.372 -12.058 1.00 52.01 C ATOM 783 CD1 LEU A 48 2.996 -4.021 -12.283 1.00 42.52 C ATOM 784 CD2 LEU A 48 4.539 -5.364 -10.754 1.00 14.12 C ATOM 0 H LEU A 48 0.994 -8.307 -12.252 1.00 23.33 H new ATOM 0 HA LEU A 48 1.416 -5.833 -13.658 1.00 24.03 H new ATOM 0 HB2 LEU A 48 2.003 -6.424 -11.247 1.00 11.12 H new ATOM 0 HB3 LEU A 48 3.259 -7.480 -11.863 1.00 11.12 H new ATOM 0 HG LEU A 48 4.403 -5.511 -12.890 1.00 52.01 H new ATOM 0 HD11 LEU A 48 3.728 -3.214 -12.269 1.00 42.52 H new ATOM 0 HD12 LEU A 48 2.489 -4.034 -13.248 1.00 42.52 H new ATOM 0 HD13 LEU A 48 2.265 -3.861 -11.491 1.00 42.52 H new ATOM 0 HD21 LEU A 48 5.234 -4.525 -10.769 1.00 14.12 H new ATOM 0 HD22 LEU A 48 3.869 -5.265 -9.900 1.00 14.12 H new ATOM 0 HD23 LEU A 48 5.097 -6.296 -10.671 1.00 14.12 H new ATOM 796 N GLY A 49 3.107 -8.512 -14.642 1.00 3.51 N ATOM 797 CA GLY A 49 3.895 -9.099 -15.744 1.00 23.24 C ATOM 798 C GLY A 49 3.138 -9.158 -17.086 1.00 21.43 C ATOM 799 O GLY A 49 3.749 -9.099 -18.157 1.00 23.14 O ATOM 0 H GLY A 49 2.808 -9.194 -13.945 1.00 3.51 H new ATOM 0 HA2 GLY A 49 4.807 -8.517 -15.877 1.00 23.24 H new ATOM 0 HA3 GLY A 49 4.199 -10.108 -15.464 1.00 23.24 H new ATOM 803 N ASN A 50 1.793 -9.265 -17.015 1.00 61.11 N ATOM 804 CA ASN A 50 0.893 -9.287 -18.199 1.00 64.14 C ATOM 805 C ASN A 50 0.483 -7.833 -18.622 1.00 22.25 C ATOM 806 O ASN A 50 -0.269 -7.635 -19.586 1.00 52.02 O ATOM 807 CB ASN A 50 -0.350 -10.151 -17.842 1.00 40.23 C ATOM 808 CG ASN A 50 -1.188 -10.568 -19.048 1.00 71.23 C ATOM 809 OD1 ASN A 50 -2.113 -9.732 -19.459 1.00 5.02 O flip ATOM 810 ND2 ASN A 50 -0.982 -11.629 -19.628 1.00 61.24 N flip ATOM 0 H ASN A 50 1.293 -9.339 -16.129 1.00 61.11 H new ATOM 0 HA ASN A 50 1.408 -9.724 -19.054 1.00 64.14 H new ATOM 0 HB2 ASN A 50 -0.018 -11.047 -17.317 1.00 40.23 H new ATOM 0 HB3 ASN A 50 -0.981 -9.592 -17.151 1.00 40.23 H new ATOM 0 HD21 ASN A 50 -0.258 -12.263 -19.290 1.00 61.24 H new ATOM 0 HD22 ASN A 50 -1.535 -11.878 -20.448 1.00 61.24 H new ATOM 817 N GLY A 51 1.072 -6.835 -17.926 1.00 24.24 N ATOM 818 CA GLY A 51 0.741 -5.413 -18.087 1.00 13.33 C ATOM 819 C GLY A 51 -0.751 -5.074 -18.023 1.00 34.01 C ATOM 820 O GLY A 51 -1.213 -4.167 -18.729 1.00 13.40 O ATOM 0 H GLY A 51 1.798 -7.003 -17.230 1.00 24.24 H new ATOM 0 HA2 GLY A 51 1.258 -4.847 -17.312 1.00 13.33 H new ATOM 0 HA3 GLY A 51 1.133 -5.073 -19.046 1.00 13.33 H new ATOM 824 N GLU A 52 -1.509 -5.821 -17.199 1.00 64.33 N ATOM 825 CA GLU A 52 -2.917 -5.497 -16.906 1.00 34.44 C ATOM 826 C GLU A 52 -2.970 -4.238 -16.015 1.00 50.40 C ATOM 827 O GLU A 52 -3.253 -3.130 -16.491 1.00 42.12 O ATOM 828 CB GLU A 52 -3.663 -6.686 -16.211 1.00 51.24 C ATOM 829 CG GLU A 52 -3.544 -8.045 -16.921 1.00 51.12 C ATOM 830 CD GLU A 52 -4.420 -9.151 -16.289 1.00 54.15 C ATOM 831 OE1 GLU A 52 -4.320 -9.380 -15.061 1.00 51.14 O ATOM 832 OE2 GLU A 52 -5.223 -9.782 -17.010 1.00 60.31 O ATOM 0 H GLU A 52 -1.168 -6.656 -16.723 1.00 64.33 H new ATOM 0 HA GLU A 52 -3.428 -5.310 -17.851 1.00 34.44 H new ATOM 0 HB2 GLU A 52 -3.279 -6.790 -15.196 1.00 51.24 H new ATOM 0 HB3 GLU A 52 -4.719 -6.430 -16.127 1.00 51.24 H new ATOM 0 HG2 GLU A 52 -3.824 -7.925 -17.968 1.00 51.12 H new ATOM 0 HG3 GLU A 52 -2.502 -8.364 -16.905 1.00 51.12 H new ATOM 839 N ILE A 53 -2.736 -4.441 -14.708 1.00 14.43 N ATOM 840 CA ILE A 53 -2.627 -3.350 -13.711 1.00 32.33 C ATOM 841 C ILE A 53 -1.431 -2.376 -13.964 1.00 72.14 C ATOM 842 O ILE A 53 -0.825 -2.364 -15.035 1.00 3.34 O ATOM 843 CB ILE A 53 -2.544 -3.975 -12.258 1.00 75.52 C ATOM 844 CG1 ILE A 53 -1.250 -4.842 -12.063 1.00 1.35 C ATOM 845 CG2 ILE A 53 -3.811 -4.801 -11.956 1.00 21.54 C ATOM 846 CD1 ILE A 53 -1.053 -5.401 -10.651 1.00 53.14 C ATOM 0 H ILE A 53 -2.616 -5.371 -14.306 1.00 14.43 H new ATOM 0 HA ILE A 53 -3.524 -2.738 -13.811 1.00 32.33 H new ATOM 0 HB ILE A 53 -2.485 -3.150 -11.548 1.00 75.52 H new ATOM 0 HG12 ILE A 53 -1.279 -5.674 -12.766 1.00 1.35 H new ATOM 0 HG13 ILE A 53 -0.382 -4.236 -12.322 1.00 1.35 H new ATOM 0 HG21 ILE A 53 -3.739 -5.224 -10.954 1.00 21.54 H new ATOM 0 HG22 ILE A 53 -4.688 -4.157 -12.016 1.00 21.54 H new ATOM 0 HG23 ILE A 53 -3.902 -5.607 -12.684 1.00 21.54 H new ATOM 0 HD11 ILE A 53 -0.133 -5.985 -10.616 1.00 53.14 H new ATOM 0 HD12 ILE A 53 -0.987 -4.578 -9.940 1.00 53.14 H new ATOM 0 HD13 ILE A 53 -1.898 -6.039 -10.391 1.00 53.14 H new ATOM 858 N THR A 54 -1.092 -1.580 -12.931 1.00 12.24 N ATOM 859 CA THR A 54 0.051 -0.635 -12.957 1.00 22.11 C ATOM 860 C THR A 54 0.913 -0.926 -11.709 1.00 13.13 C ATOM 861 O THR A 54 0.519 -1.738 -10.863 1.00 33.44 O ATOM 862 CB THR A 54 -0.375 0.887 -12.972 1.00 24.43 C ATOM 863 OG1 THR A 54 -0.929 1.288 -11.704 1.00 14.04 O ATOM 864 CG2 THR A 54 -1.391 1.212 -14.092 1.00 11.42 C ATOM 0 H THR A 54 -1.604 -1.572 -12.049 1.00 12.24 H new ATOM 0 HA THR A 54 0.600 -0.791 -13.886 1.00 22.11 H new ATOM 0 HB THR A 54 0.538 1.449 -13.168 1.00 24.43 H new ATOM 0 HG1 THR A 54 -1.261 2.208 -11.768 1.00 14.04 H new ATOM 0 HG21 THR A 54 -1.648 2.271 -14.054 1.00 11.42 H new ATOM 0 HG22 THR A 54 -0.950 0.980 -15.062 1.00 11.42 H new ATOM 0 HG23 THR A 54 -2.292 0.615 -13.950 1.00 11.42 H new ATOM 872 N VAL A 55 2.090 -0.298 -11.591 1.00 40.51 N ATOM 873 CA VAL A 55 2.948 -0.466 -10.391 1.00 32.02 C ATOM 874 C VAL A 55 2.301 0.255 -9.165 1.00 13.33 C ATOM 875 O VAL A 55 2.396 -0.220 -8.032 1.00 14.41 O ATOM 876 CB VAL A 55 4.421 0.028 -10.664 1.00 75.31 C ATOM 877 CG1 VAL A 55 5.354 -0.288 -9.469 1.00 11.44 C ATOM 878 CG2 VAL A 55 4.971 -0.589 -11.988 1.00 32.54 C ATOM 0 H VAL A 55 2.475 0.327 -12.299 1.00 40.51 H new ATOM 0 HA VAL A 55 3.018 -1.528 -10.156 1.00 32.02 H new ATOM 0 HB VAL A 55 4.396 1.112 -10.779 1.00 75.31 H new ATOM 0 HG11 VAL A 55 6.361 0.066 -9.690 1.00 11.44 H new ATOM 0 HG12 VAL A 55 4.982 0.212 -8.575 1.00 11.44 H new ATOM 0 HG13 VAL A 55 5.377 -1.365 -9.300 1.00 11.44 H new ATOM 0 HG21 VAL A 55 5.988 -0.236 -12.159 1.00 32.54 H new ATOM 0 HG22 VAL A 55 4.972 -1.676 -11.910 1.00 32.54 H new ATOM 0 HG23 VAL A 55 4.337 -0.286 -12.821 1.00 32.54 H new ATOM 888 N LYS A 56 1.587 1.373 -9.435 1.00 74.44 N ATOM 889 CA LYS A 56 0.758 2.091 -8.424 1.00 24.13 C ATOM 890 C LYS A 56 -0.429 1.215 -7.931 1.00 23.43 C ATOM 891 O LYS A 56 -0.776 1.211 -6.744 1.00 42.04 O ATOM 892 CB LYS A 56 0.181 3.399 -9.032 1.00 5.25 C ATOM 893 CG LYS A 56 -0.434 4.381 -7.992 1.00 51.51 C ATOM 894 CD LYS A 56 -1.476 5.343 -8.604 1.00 51.12 C ATOM 895 CE LYS A 56 -2.789 4.615 -8.958 1.00 13.22 C ATOM 896 NZ LYS A 56 -3.677 5.436 -9.814 1.00 4.44 N ATOM 0 H LYS A 56 1.566 1.807 -10.358 1.00 74.44 H new ATOM 0 HA LYS A 56 1.408 2.319 -7.579 1.00 24.13 H new ATOM 0 HB2 LYS A 56 0.975 3.914 -9.573 1.00 5.25 H new ATOM 0 HB3 LYS A 56 -0.585 3.138 -9.762 1.00 5.25 H new ATOM 0 HG2 LYS A 56 -0.904 3.807 -7.194 1.00 51.51 H new ATOM 0 HG3 LYS A 56 0.366 4.965 -7.536 1.00 51.51 H new ATOM 0 HD2 LYS A 56 -1.685 6.148 -7.900 1.00 51.12 H new ATOM 0 HD3 LYS A 56 -1.063 5.804 -9.501 1.00 51.12 H new ATOM 0 HE2 LYS A 56 -2.557 3.681 -9.470 1.00 13.22 H new ATOM 0 HE3 LYS A 56 -3.315 4.353 -8.040 1.00 13.22 H new ATOM 0 HZ1 LYS A 56 -4.413 4.831 -10.231 1.00 4.44 H new ATOM 0 HZ2 LYS A 56 -4.124 6.179 -9.239 1.00 4.44 H new ATOM 0 HZ3 LYS A 56 -3.118 5.875 -10.573 1.00 4.44 H new ATOM 910 N GLU A 57 -1.030 0.470 -8.876 1.00 74.03 N ATOM 911 CA GLU A 57 -2.231 -0.366 -8.625 1.00 4.30 C ATOM 912 C GLU A 57 -1.808 -1.697 -7.935 1.00 42.50 C ATOM 913 O GLU A 57 -2.596 -2.327 -7.232 1.00 23.04 O ATOM 914 CB GLU A 57 -2.990 -0.617 -9.973 1.00 62.43 C ATOM 915 CG GLU A 57 -4.537 -0.580 -9.902 1.00 61.12 C ATOM 916 CD GLU A 57 -5.175 -1.717 -9.079 1.00 32.11 C ATOM 917 OE1 GLU A 57 -5.169 -2.878 -9.552 1.00 3.04 O ATOM 918 OE2 GLU A 57 -5.719 -1.451 -7.984 1.00 44.44 O ATOM 0 H GLU A 57 -0.700 0.427 -9.840 1.00 74.03 H new ATOM 0 HA GLU A 57 -2.915 0.152 -7.953 1.00 4.30 H new ATOM 0 HB2 GLU A 57 -2.662 0.130 -10.696 1.00 62.43 H new ATOM 0 HB3 GLU A 57 -2.688 -1.590 -10.361 1.00 62.43 H new ATOM 0 HG2 GLU A 57 -4.844 0.375 -9.475 1.00 61.12 H new ATOM 0 HG3 GLU A 57 -4.934 -0.618 -10.916 1.00 61.12 H new ATOM 925 N PHE A 58 -0.548 -2.111 -8.174 1.00 5.12 N ATOM 926 CA PHE A 58 0.131 -3.188 -7.421 1.00 1.13 C ATOM 927 C PHE A 58 0.268 -2.794 -5.917 1.00 20.44 C ATOM 928 O PHE A 58 -0.100 -3.562 -5.020 1.00 60.31 O ATOM 929 CB PHE A 58 1.519 -3.442 -8.081 1.00 20.33 C ATOM 930 CG PHE A 58 2.269 -4.683 -7.597 1.00 31.20 C ATOM 931 CD1 PHE A 58 1.977 -5.938 -8.129 1.00 73.33 C ATOM 932 CD2 PHE A 58 3.275 -4.592 -6.630 1.00 71.21 C ATOM 933 CE1 PHE A 58 2.661 -7.062 -7.707 1.00 10.54 C ATOM 934 CE2 PHE A 58 3.955 -5.716 -6.211 1.00 34.12 C ATOM 935 CZ PHE A 58 3.648 -6.951 -6.748 1.00 52.41 C ATOM 0 H PHE A 58 0.035 -1.703 -8.904 1.00 5.12 H new ATOM 0 HA PHE A 58 -0.454 -4.107 -7.456 1.00 1.13 H new ATOM 0 HB2 PHE A 58 1.378 -3.523 -9.159 1.00 20.33 H new ATOM 0 HB3 PHE A 58 2.148 -2.569 -7.907 1.00 20.33 H new ATOM 0 HD1 PHE A 58 1.207 -6.033 -8.880 1.00 73.33 H new ATOM 0 HD2 PHE A 58 3.522 -3.630 -6.206 1.00 71.21 H new ATOM 0 HE1 PHE A 58 2.423 -8.028 -8.128 1.00 10.54 H new ATOM 0 HE2 PHE A 58 4.728 -5.631 -5.462 1.00 34.12 H new ATOM 0 HZ PHE A 58 4.180 -7.831 -6.417 1.00 52.41 H new ATOM 945 N ILE A 59 0.770 -1.561 -5.686 1.00 54.13 N ATOM 946 CA ILE A 59 0.903 -0.923 -4.341 1.00 35.11 C ATOM 947 C ILE A 59 -0.465 -0.769 -3.612 1.00 45.54 C ATOM 948 O ILE A 59 -0.528 -0.830 -2.373 1.00 75.01 O ATOM 949 CB ILE A 59 1.632 0.469 -4.504 1.00 73.42 C ATOM 950 CG1 ILE A 59 3.107 0.236 -4.964 1.00 2.24 C ATOM 951 CG2 ILE A 59 1.576 1.345 -3.226 1.00 64.13 C ATOM 952 CD1 ILE A 59 3.835 1.488 -5.391 1.00 41.13 C ATOM 0 H ILE A 59 1.104 -0.962 -6.441 1.00 54.13 H new ATOM 0 HA ILE A 59 1.502 -1.578 -3.708 1.00 35.11 H new ATOM 0 HB ILE A 59 1.094 1.030 -5.268 1.00 73.42 H new ATOM 0 HG12 ILE A 59 3.659 -0.230 -4.148 1.00 2.24 H new ATOM 0 HG13 ILE A 59 3.108 -0.471 -5.794 1.00 2.24 H new ATOM 0 HG21 ILE A 59 2.095 2.286 -3.407 1.00 64.13 H new ATOM 0 HG22 ILE A 59 0.536 1.548 -2.969 1.00 64.13 H new ATOM 0 HG23 ILE A 59 2.057 0.818 -2.402 1.00 64.13 H new ATOM 0 HD11 ILE A 59 4.851 1.233 -5.694 1.00 41.13 H new ATOM 0 HD12 ILE A 59 3.310 1.946 -6.230 1.00 41.13 H new ATOM 0 HD13 ILE A 59 3.870 2.190 -4.558 1.00 41.13 H new ATOM 964 N GLU A 60 -1.545 -0.647 -4.407 1.00 62.31 N ATOM 965 CA GLU A 60 -2.929 -0.537 -3.893 1.00 40.42 C ATOM 966 C GLU A 60 -3.291 -1.813 -3.079 1.00 61.51 C ATOM 967 O GLU A 60 -3.862 -1.727 -1.992 1.00 4.41 O ATOM 968 CB GLU A 60 -3.917 -0.356 -5.078 1.00 41.34 C ATOM 969 CG GLU A 60 -5.398 -0.124 -4.697 1.00 62.23 C ATOM 970 CD GLU A 60 -5.667 1.265 -4.085 1.00 52.45 C ATOM 971 OE1 GLU A 60 -5.547 1.420 -2.849 1.00 21.20 O ATOM 972 OE2 GLU A 60 -6.016 2.205 -4.843 1.00 53.32 O ATOM 0 H GLU A 60 -1.485 -0.622 -5.425 1.00 62.31 H new ATOM 0 HA GLU A 60 -3.003 0.331 -3.238 1.00 40.42 H new ATOM 0 HB2 GLU A 60 -3.581 0.488 -5.680 1.00 41.34 H new ATOM 0 HB3 GLU A 60 -3.860 -1.241 -5.711 1.00 41.34 H new ATOM 0 HG2 GLU A 60 -6.017 -0.246 -5.586 1.00 62.23 H new ATOM 0 HG3 GLU A 60 -5.706 -0.891 -3.986 1.00 62.23 H new ATOM 979 N GLY A 61 -2.885 -2.995 -3.613 1.00 2.31 N ATOM 980 CA GLY A 61 -3.137 -4.293 -2.963 1.00 63.33 C ATOM 981 C GLY A 61 -2.145 -4.649 -1.845 1.00 40.41 C ATOM 982 O GLY A 61 -2.467 -5.459 -0.969 1.00 23.54 O ATOM 0 H GLY A 61 -2.380 -3.067 -4.496 1.00 2.31 H new ATOM 0 HA2 GLY A 61 -4.145 -4.288 -2.549 1.00 63.33 H new ATOM 0 HA3 GLY A 61 -3.108 -5.076 -3.721 1.00 63.33 H new ATOM 986 N LEU A 62 -0.929 -4.056 -1.889 1.00 33.41 N ATOM 987 CA LEU A 62 0.100 -4.237 -0.828 1.00 43.33 C ATOM 988 C LEU A 62 -0.356 -3.544 0.482 1.00 5.23 C ATOM 989 O LEU A 62 -0.166 -4.069 1.582 1.00 21.52 O ATOM 990 CB LEU A 62 1.476 -3.670 -1.294 1.00 43.24 C ATOM 991 CG LEU A 62 2.020 -4.181 -2.669 1.00 54.51 C ATOM 992 CD1 LEU A 62 3.444 -3.657 -2.943 1.00 42.35 C ATOM 993 CD2 LEU A 62 1.945 -5.718 -2.786 1.00 50.30 C ATOM 0 H LEU A 62 -0.632 -3.445 -2.650 1.00 33.41 H new ATOM 0 HA LEU A 62 0.218 -5.304 -0.637 1.00 43.33 H new ATOM 0 HB2 LEU A 62 1.397 -2.584 -1.342 1.00 43.24 H new ATOM 0 HB3 LEU A 62 2.216 -3.902 -0.528 1.00 43.24 H new ATOM 0 HG LEU A 62 1.368 -3.774 -3.442 1.00 54.51 H new ATOM 0 HD11 LEU A 62 3.790 -4.031 -3.906 1.00 42.35 H new ATOM 0 HD12 LEU A 62 3.434 -2.567 -2.960 1.00 42.35 H new ATOM 0 HD13 LEU A 62 4.116 -4.001 -2.157 1.00 42.35 H new ATOM 0 HD21 LEU A 62 2.333 -6.028 -3.756 1.00 50.30 H new ATOM 0 HD22 LEU A 62 2.541 -6.173 -1.995 1.00 50.30 H new ATOM 0 HD23 LEU A 62 0.908 -6.040 -2.690 1.00 50.30 H new ATOM 1005 N GLY A 63 -0.947 -2.343 0.312 1.00 31.13 N ATOM 1006 CA GLY A 63 -1.605 -1.608 1.407 1.00 30.22 C ATOM 1007 C GLY A 63 -2.798 -2.357 2.039 1.00 62.35 C ATOM 1008 O GLY A 63 -3.153 -2.108 3.196 1.00 24.45 O ATOM 0 H GLY A 63 -0.980 -1.859 -0.585 1.00 31.13 H new ATOM 0 HA2 GLY A 63 -0.869 -1.398 2.183 1.00 30.22 H new ATOM 0 HA3 GLY A 63 -1.952 -0.647 1.028 1.00 30.22 H new ATOM 1012 N TYR A 64 -3.420 -3.274 1.263 1.00 73.45 N ATOM 1013 CA TYR A 64 -4.567 -4.103 1.723 1.00 54.10 C ATOM 1014 C TYR A 64 -4.109 -5.386 2.483 1.00 60.13 C ATOM 1015 O TYR A 64 -4.942 -6.058 3.108 1.00 61.23 O ATOM 1016 CB TYR A 64 -5.469 -4.501 0.513 1.00 75.31 C ATOM 1017 CG TYR A 64 -6.172 -3.342 -0.243 1.00 34.24 C ATOM 1018 CD1 TYR A 64 -6.136 -2.012 0.206 1.00 33.05 C ATOM 1019 CD2 TYR A 64 -6.879 -3.597 -1.427 1.00 33.13 C ATOM 1020 CE1 TYR A 64 -6.768 -1.000 -0.492 1.00 51.31 C ATOM 1021 CE2 TYR A 64 -7.512 -2.581 -2.122 1.00 63.24 C ATOM 1022 CZ TYR A 64 -7.453 -1.287 -1.650 1.00 22.34 C ATOM 1023 OH TYR A 64 -8.089 -0.269 -2.333 1.00 31.22 O ATOM 0 H TYR A 64 -3.144 -3.463 0.299 1.00 73.45 H new ATOM 0 HA TYR A 64 -5.137 -3.493 2.423 1.00 54.10 H new ATOM 0 HB2 TYR A 64 -4.857 -5.051 -0.201 1.00 75.31 H new ATOM 0 HB3 TYR A 64 -6.236 -5.188 0.871 1.00 75.31 H new ATOM 0 HD1 TYR A 64 -5.604 -1.775 1.115 1.00 33.05 H new ATOM 0 HD2 TYR A 64 -6.931 -4.608 -1.805 1.00 33.13 H new ATOM 0 HE1 TYR A 64 -6.724 0.016 -0.128 1.00 51.31 H new ATOM 0 HE2 TYR A 64 -8.051 -2.801 -3.032 1.00 63.24 H new ATOM 0 HH TYR A 64 -7.526 0.533 -2.323 1.00 31.22 H new ATOM 1033 N SER A 65 -2.800 -5.733 2.409 1.00 24.51 N ATOM 1034 CA SER A 65 -2.243 -6.935 3.083 1.00 65.33 C ATOM 1035 C SER A 65 -2.107 -6.709 4.605 1.00 35.33 C ATOM 1036 O SER A 65 -1.380 -5.810 5.036 1.00 2.32 O ATOM 1037 CB SER A 65 -0.860 -7.305 2.493 1.00 14.03 C ATOM 1038 OG SER A 65 -0.250 -8.373 3.214 1.00 20.00 O ATOM 0 H SER A 65 -2.107 -5.196 1.887 1.00 24.51 H new ATOM 0 HA SER A 65 -2.939 -7.756 2.910 1.00 65.33 H new ATOM 0 HB2 SER A 65 -0.975 -7.590 1.447 1.00 14.03 H new ATOM 0 HB3 SER A 65 -0.209 -6.431 2.516 1.00 14.03 H new ATOM 0 HG SER A 65 0.620 -8.582 2.815 1.00 20.00 H new ATOM 1044 N ASN A 66 -2.770 -7.575 5.404 1.00 3.34 N ATOM 1045 CA ASN A 66 -2.822 -7.471 6.891 1.00 11.20 C ATOM 1046 C ASN A 66 -1.418 -7.547 7.570 1.00 53.52 C ATOM 1047 O ASN A 66 -1.293 -7.197 8.744 1.00 64.12 O ATOM 1048 CB ASN A 66 -3.755 -8.584 7.460 1.00 5.52 C ATOM 1049 CG ASN A 66 -4.077 -8.432 8.958 1.00 12.15 C ATOM 1050 OD1 ASN A 66 -4.261 -7.329 9.468 1.00 50.25 O ATOM 1051 ND2 ASN A 66 -4.120 -9.535 9.679 1.00 23.14 N ATOM 0 H ASN A 66 -3.289 -8.373 5.039 1.00 3.34 H new ATOM 0 HA ASN A 66 -3.221 -6.484 7.125 1.00 11.20 H new ATOM 0 HB2 ASN A 66 -4.688 -8.583 6.897 1.00 5.52 H new ATOM 0 HB3 ASN A 66 -3.286 -9.554 7.297 1.00 5.52 H new ATOM 0 HD21 ASN A 66 -4.309 -9.483 10.680 1.00 23.14 H new ATOM 0 HD22 ASN A 66 -3.964 -10.440 9.236 1.00 23.14 H new ATOM 1058 N LEU A 67 -0.376 -8.010 6.837 1.00 51.02 N ATOM 1059 CA LEU A 67 0.980 -8.189 7.407 1.00 5.22 C ATOM 1060 C LEU A 67 1.563 -6.859 7.951 1.00 61.53 C ATOM 1061 O LEU A 67 1.900 -6.776 9.143 1.00 52.02 O ATOM 1062 CB LEU A 67 1.955 -8.788 6.360 1.00 3.50 C ATOM 1063 CG LEU A 67 3.378 -9.132 6.918 1.00 1.31 C ATOM 1064 CD1 LEU A 67 3.306 -10.273 7.954 1.00 24.31 C ATOM 1065 CD2 LEU A 67 4.386 -9.437 5.792 1.00 43.53 C ATOM 0 H LEU A 67 -0.449 -8.265 5.852 1.00 51.02 H new ATOM 0 HA LEU A 67 0.875 -8.885 8.240 1.00 5.22 H new ATOM 0 HB2 LEU A 67 1.512 -9.694 5.947 1.00 3.50 H new ATOM 0 HB3 LEU A 67 2.063 -8.082 5.537 1.00 3.50 H new ATOM 0 HG LEU A 67 3.750 -8.245 7.431 1.00 1.31 H new ATOM 0 HD11 LEU A 67 4.307 -10.491 8.325 1.00 24.31 H new ATOM 0 HD12 LEU A 67 2.669 -9.970 8.785 1.00 24.31 H new ATOM 0 HD13 LEU A 67 2.890 -11.165 7.485 1.00 24.31 H new ATOM 0 HD21 LEU A 67 5.358 -9.670 6.227 1.00 43.53 H new ATOM 0 HD22 LEU A 67 4.035 -10.290 5.211 1.00 43.53 H new ATOM 0 HD23 LEU A 67 4.479 -8.568 5.141 1.00 43.53 H new ATOM 1077 N TYR A 68 1.737 -5.847 7.052 1.00 31.11 N ATOM 1078 CA TYR A 68 2.130 -4.480 7.504 1.00 0.25 C ATOM 1079 C TYR A 68 1.213 -3.933 8.632 1.00 31.14 C ATOM 1080 O TYR A 68 1.693 -3.296 9.579 1.00 33.31 O ATOM 1081 CB TYR A 68 2.191 -3.448 6.349 1.00 53.44 C ATOM 1082 CG TYR A 68 2.863 -2.127 6.785 1.00 45.20 C ATOM 1083 CD1 TYR A 68 4.166 -2.145 7.293 1.00 72.40 C ATOM 1084 CD2 TYR A 68 2.212 -0.889 6.719 1.00 50.42 C ATOM 1085 CE1 TYR A 68 4.796 -0.996 7.706 1.00 43.44 C ATOM 1086 CE2 TYR A 68 2.849 0.274 7.135 1.00 45.04 C ATOM 1087 CZ TYR A 68 4.142 0.207 7.630 1.00 63.13 C ATOM 1088 OH TYR A 68 4.789 1.346 8.051 1.00 20.33 O ATOM 0 H TYR A 68 1.616 -5.946 6.044 1.00 31.11 H new ATOM 0 HA TYR A 68 3.137 -4.606 7.902 1.00 0.25 H new ATOM 0 HB2 TYR A 68 2.742 -3.875 5.511 1.00 53.44 H new ATOM 0 HB3 TYR A 68 1.181 -3.241 5.995 1.00 53.44 H new ATOM 0 HD1 TYR A 68 4.691 -3.087 7.362 1.00 72.40 H new ATOM 0 HD2 TYR A 68 1.202 -0.837 6.340 1.00 50.42 H new ATOM 0 HE1 TYR A 68 5.805 -1.040 8.090 1.00 43.44 H new ATOM 0 HE2 TYR A 68 2.340 1.224 7.073 1.00 45.04 H new ATOM 0 HH TYR A 68 5.754 1.244 7.912 1.00 20.33 H new ATOM 1098 N LEU A 69 -0.091 -4.218 8.517 1.00 4.41 N ATOM 1099 CA LEU A 69 -1.105 -3.785 9.495 1.00 15.02 C ATOM 1100 C LEU A 69 -0.987 -4.509 10.859 1.00 23.12 C ATOM 1101 O LEU A 69 -1.373 -3.953 11.881 1.00 44.22 O ATOM 1102 CB LEU A 69 -2.543 -3.903 8.913 1.00 70.24 C ATOM 1103 CG LEU A 69 -2.938 -2.841 7.823 1.00 33.02 C ATOM 1104 CD1 LEU A 69 -2.532 -1.409 8.239 1.00 55.23 C ATOM 1105 CD2 LEU A 69 -2.390 -3.184 6.426 1.00 40.30 C ATOM 0 H LEU A 69 -0.476 -4.757 7.741 1.00 4.41 H new ATOM 0 HA LEU A 69 -0.904 -2.732 9.692 1.00 15.02 H new ATOM 0 HB2 LEU A 69 -2.658 -4.897 8.481 1.00 70.24 H new ATOM 0 HB3 LEU A 69 -3.253 -3.830 9.736 1.00 70.24 H new ATOM 0 HG LEU A 69 -4.025 -2.876 7.754 1.00 33.02 H new ATOM 0 HD11 LEU A 69 -2.823 -0.707 7.458 1.00 55.23 H new ATOM 0 HD12 LEU A 69 -3.033 -1.145 9.170 1.00 55.23 H new ATOM 0 HD13 LEU A 69 -1.452 -1.364 8.383 1.00 55.23 H new ATOM 0 HD21 LEU A 69 -2.695 -2.415 5.716 1.00 40.30 H new ATOM 0 HD22 LEU A 69 -1.302 -3.232 6.464 1.00 40.30 H new ATOM 0 HD23 LEU A 69 -2.784 -4.149 6.107 1.00 40.30 H new ATOM 1117 N LYS A 70 -0.445 -5.732 10.908 1.00 11.14 N ATOM 1118 CA LYS A 70 -0.326 -6.492 12.176 1.00 55.22 C ATOM 1119 C LYS A 70 0.634 -5.733 13.132 1.00 73.41 C ATOM 1120 O LYS A 70 0.344 -5.520 14.309 1.00 1.05 O ATOM 1121 CB LYS A 70 0.238 -7.906 11.839 1.00 32.01 C ATOM 1122 CG LYS A 70 0.399 -8.881 13.030 1.00 1.32 C ATOM 1123 CD LYS A 70 1.084 -10.217 12.634 1.00 71.40 C ATOM 1124 CE LYS A 70 0.361 -10.967 11.494 1.00 72.34 C ATOM 1125 NZ LYS A 70 -1.060 -11.280 11.820 1.00 14.35 N ATOM 0 H LYS A 70 -0.080 -6.222 10.091 1.00 11.14 H new ATOM 0 HA LYS A 70 -1.294 -6.593 12.666 1.00 55.22 H new ATOM 0 HB2 LYS A 70 -0.419 -8.370 11.103 1.00 32.01 H new ATOM 0 HB3 LYS A 70 1.211 -7.782 11.364 1.00 32.01 H new ATOM 0 HG2 LYS A 70 0.984 -8.397 13.812 1.00 1.32 H new ATOM 0 HG3 LYS A 70 -0.583 -9.094 13.453 1.00 1.32 H new ATOM 0 HD2 LYS A 70 2.111 -10.013 12.330 1.00 71.40 H new ATOM 0 HD3 LYS A 70 1.133 -10.864 13.510 1.00 71.40 H new ATOM 0 HE2 LYS A 70 0.397 -10.363 10.588 1.00 72.34 H new ATOM 0 HE3 LYS A 70 0.893 -11.894 11.280 1.00 72.34 H new ATOM 0 HZ1 LYS A 70 -1.497 -11.783 11.021 1.00 14.35 H new ATOM 0 HZ2 LYS A 70 -1.097 -11.880 12.669 1.00 14.35 H new ATOM 0 HZ3 LYS A 70 -1.578 -10.396 11.998 1.00 14.35 H new ATOM 1139 N GLU A 71 1.793 -5.367 12.573 1.00 42.50 N ATOM 1140 CA GLU A 71 2.806 -4.503 13.219 1.00 51.24 C ATOM 1141 C GLU A 71 2.284 -3.048 13.479 1.00 22.25 C ATOM 1142 O GLU A 71 2.322 -2.544 14.602 1.00 4.43 O ATOM 1143 CB GLU A 71 4.059 -4.440 12.278 1.00 31.12 C ATOM 1144 CG GLU A 71 4.438 -5.757 11.554 1.00 34.31 C ATOM 1145 CD GLU A 71 4.926 -6.870 12.492 1.00 2.45 C ATOM 1146 OE1 GLU A 71 6.149 -6.924 12.771 1.00 44.14 O ATOM 1147 OE2 GLU A 71 4.095 -7.695 12.948 1.00 41.40 O ATOM 0 H GLU A 71 2.066 -5.667 11.637 1.00 42.50 H new ATOM 0 HA GLU A 71 3.050 -4.932 14.191 1.00 51.24 H new ATOM 0 HB2 GLU A 71 3.883 -3.673 11.524 1.00 31.12 H new ATOM 0 HB3 GLU A 71 4.915 -4.115 12.869 1.00 31.12 H new ATOM 0 HG2 GLU A 71 3.571 -6.117 11.001 1.00 34.31 H new ATOM 0 HG3 GLU A 71 5.218 -5.545 10.822 1.00 34.31 H new ATOM 1154 N PHE A 72 1.845 -2.384 12.390 1.00 2.33 N ATOM 1155 CA PHE A 72 1.423 -0.949 12.409 1.00 51.22 C ATOM 1156 C PHE A 72 -0.088 -0.737 12.095 1.00 41.13 C ATOM 1157 O PHE A 72 -0.464 -0.224 11.033 1.00 51.42 O ATOM 1158 CB PHE A 72 2.350 -0.128 11.460 1.00 4.14 C ATOM 1159 CG PHE A 72 3.843 -0.269 11.815 1.00 62.33 C ATOM 1160 CD1 PHE A 72 4.384 0.409 12.905 1.00 54.21 C ATOM 1161 CD2 PHE A 72 4.683 -1.107 11.087 1.00 15.14 C ATOM 1162 CE1 PHE A 72 5.712 0.255 13.251 1.00 65.11 C ATOM 1163 CE2 PHE A 72 6.015 -1.259 11.428 1.00 62.25 C ATOM 1164 CZ PHE A 72 6.527 -0.578 12.511 1.00 15.34 C ATOM 0 H PHE A 72 1.769 -2.817 11.470 1.00 2.33 H new ATOM 0 HA PHE A 72 1.539 -0.581 13.428 1.00 51.22 H new ATOM 0 HB2 PHE A 72 2.193 -0.456 10.433 1.00 4.14 H new ATOM 0 HB3 PHE A 72 2.068 0.924 11.505 1.00 4.14 H new ATOM 0 HD1 PHE A 72 3.755 1.065 13.488 1.00 54.21 H new ATOM 0 HD2 PHE A 72 4.287 -1.648 10.240 1.00 15.14 H new ATOM 0 HE1 PHE A 72 6.113 0.787 14.101 1.00 65.11 H new ATOM 0 HE2 PHE A 72 6.652 -1.910 10.847 1.00 62.25 H new ATOM 0 HZ PHE A 72 7.566 -0.696 12.781 1.00 15.34 H new ATOM 1174 N TYR A 73 -0.930 -1.175 13.056 1.00 31.22 N ATOM 1175 CA TYR A 73 -2.396 -0.902 13.099 1.00 61.42 C ATOM 1176 C TYR A 73 -2.946 -1.371 14.463 1.00 31.24 C ATOM 1177 O TYR A 73 -3.529 -0.587 15.209 1.00 14.32 O ATOM 1178 CB TYR A 73 -3.158 -1.606 11.930 1.00 14.44 C ATOM 1179 CG TYR A 73 -4.688 -1.401 11.865 1.00 30.33 C ATOM 1180 CD1 TYR A 73 -5.563 -2.191 12.628 1.00 54.50 C ATOM 1181 CD2 TYR A 73 -5.249 -0.427 11.041 1.00 13.11 C ATOM 1182 CE1 TYR A 73 -6.929 -2.013 12.567 1.00 23.40 C ATOM 1183 CE2 TYR A 73 -6.618 -0.245 10.980 1.00 41.41 C ATOM 1184 CZ TYR A 73 -7.450 -1.037 11.744 1.00 0.54 C ATOM 1185 OH TYR A 73 -8.816 -0.850 11.689 1.00 12.30 O ATOM 0 H TYR A 73 -0.610 -1.740 13.843 1.00 31.22 H new ATOM 0 HA TYR A 73 -2.555 0.169 12.977 1.00 61.42 H new ATOM 0 HB2 TYR A 73 -2.730 -1.259 10.989 1.00 14.44 H new ATOM 0 HB3 TYR A 73 -2.962 -2.676 11.994 1.00 14.44 H new ATOM 0 HD1 TYR A 73 -5.158 -2.954 13.276 1.00 54.50 H new ATOM 0 HD2 TYR A 73 -4.603 0.196 10.440 1.00 13.11 H new ATOM 0 HE1 TYR A 73 -7.586 -2.633 13.159 1.00 23.40 H new ATOM 0 HE2 TYR A 73 -7.035 0.515 10.336 1.00 41.41 H new ATOM 0 HH TYR A 73 -9.214 -1.091 12.552 1.00 12.30 H new ATOM 1195 N THR A 74 -2.730 -2.671 14.772 1.00 63.42 N ATOM 1196 CA THR A 74 -3.321 -3.336 15.969 1.00 22.22 C ATOM 1197 C THR A 74 -2.724 -2.855 17.343 1.00 2.32 C ATOM 1198 O THR A 74 -3.495 -2.736 18.305 1.00 44.14 O ATOM 1199 CB THR A 74 -3.254 -4.913 15.883 1.00 31.43 C ATOM 1200 OG1 THR A 74 -1.918 -5.396 16.094 1.00 20.43 O ATOM 1201 CG2 THR A 74 -3.759 -5.427 14.522 1.00 3.31 C ATOM 0 H THR A 74 -2.147 -3.289 14.207 1.00 63.42 H new ATOM 0 HA THR A 74 -4.365 -3.022 15.948 1.00 22.22 H new ATOM 0 HB THR A 74 -3.902 -5.292 16.673 1.00 31.43 H new ATOM 0 HG1 THR A 74 -1.437 -5.411 15.240 1.00 20.43 H new ATOM 0 HG21 THR A 74 -3.698 -6.515 14.499 1.00 3.31 H new ATOM 0 HG22 THR A 74 -4.794 -5.118 14.378 1.00 3.31 H new ATOM 0 HG23 THR A 74 -3.142 -5.012 13.725 1.00 3.31 H new ATOM 1209 N PRO A 75 -1.365 -2.596 17.511 1.00 31.11 N ATOM 1210 CA PRO A 75 -0.815 -2.046 18.793 1.00 44.20 C ATOM 1211 C PRO A 75 -1.114 -0.529 18.971 1.00 45.53 C ATOM 1212 O PRO A 75 -1.512 -0.073 20.050 1.00 62.41 O ATOM 1213 CB PRO A 75 0.728 -2.318 18.681 1.00 12.02 C ATOM 1214 CG PRO A 75 0.887 -3.208 17.477 1.00 64.42 C ATOM 1215 CD PRO A 75 -0.253 -2.845 16.553 1.00 74.24 C ATOM 0 HA PRO A 75 -1.270 -2.513 19.666 1.00 44.20 H new ATOM 0 HB2 PRO A 75 1.284 -1.388 18.559 1.00 12.02 H new ATOM 0 HB3 PRO A 75 1.109 -2.801 19.581 1.00 12.02 H new ATOM 0 HG2 PRO A 75 1.851 -3.046 16.994 1.00 64.42 H new ATOM 0 HG3 PRO A 75 0.844 -4.260 17.758 1.00 64.42 H new ATOM 0 HD2 PRO A 75 -0.027 -1.963 15.954 1.00 74.24 H new ATOM 0 HD3 PRO A 75 -0.487 -3.652 15.858 1.00 74.24 H new ATOM 1223 N TYR A 76 -0.945 0.216 17.870 1.00 50.43 N ATOM 1224 CA TYR A 76 -1.045 1.692 17.832 1.00 61.31 C ATOM 1225 C TYR A 76 -2.523 2.180 17.895 1.00 54.13 C ATOM 1226 O TYR A 76 -3.415 1.488 17.394 1.00 20.24 O ATOM 1227 CB TYR A 76 -0.351 2.202 16.529 1.00 61.21 C ATOM 1228 CG TYR A 76 1.167 1.949 16.511 1.00 23.02 C ATOM 1229 CD1 TYR A 76 1.706 0.733 16.075 1.00 2.25 C ATOM 1230 CD2 TYR A 76 2.057 2.928 16.966 1.00 4.42 C ATOM 1231 CE1 TYR A 76 3.068 0.508 16.102 1.00 64.24 C ATOM 1232 CE2 TYR A 76 3.417 2.707 16.984 1.00 11.34 C ATOM 1233 CZ TYR A 76 3.920 1.496 16.554 1.00 52.12 C ATOM 1234 OH TYR A 76 5.281 1.263 16.585 1.00 73.24 O ATOM 0 H TYR A 76 -0.731 -0.193 16.960 1.00 50.43 H new ATOM 0 HA TYR A 76 -0.545 2.101 18.710 1.00 61.31 H new ATOM 0 HB2 TYR A 76 -0.805 1.712 15.668 1.00 61.21 H new ATOM 0 HB3 TYR A 76 -0.536 3.271 16.421 1.00 61.21 H new ATOM 0 HD1 TYR A 76 1.046 -0.041 15.712 1.00 2.25 H new ATOM 0 HD2 TYR A 76 1.670 3.876 17.310 1.00 4.42 H new ATOM 0 HE1 TYR A 76 3.466 -0.439 15.770 1.00 64.24 H new ATOM 0 HE2 TYR A 76 4.087 3.479 17.333 1.00 11.34 H new ATOM 0 HH TYR A 76 5.741 2.058 16.928 1.00 73.24 H new ATOM 1244 N PRO A 77 -2.812 3.379 18.522 1.00 5.52 N ATOM 1245 CA PRO A 77 -4.172 3.998 18.470 1.00 22.25 C ATOM 1246 C PRO A 77 -4.541 4.445 17.028 1.00 20.02 C ATOM 1247 O PRO A 77 -3.657 4.839 16.259 1.00 62.24 O ATOM 1248 CB PRO A 77 -4.057 5.209 19.438 1.00 14.13 C ATOM 1249 CG PRO A 77 -2.596 5.550 19.421 1.00 1.33 C ATOM 1250 CD PRO A 77 -1.866 4.216 19.327 1.00 54.13 C ATOM 0 HA PRO A 77 -4.964 3.306 18.757 1.00 22.25 H new ATOM 0 HB2 PRO A 77 -4.667 6.048 19.102 1.00 14.13 H new ATOM 0 HB3 PRO A 77 -4.395 4.951 20.442 1.00 14.13 H new ATOM 0 HG2 PRO A 77 -2.353 6.191 18.573 1.00 1.33 H new ATOM 0 HG3 PRO A 77 -2.309 6.091 20.323 1.00 1.33 H new ATOM 0 HD2 PRO A 77 -0.898 4.318 18.837 1.00 54.13 H new ATOM 0 HD3 PRO A 77 -1.681 3.785 20.311 1.00 54.13 H new ATOM 1258 N ASN A 78 -5.850 4.385 16.694 1.00 71.21 N ATOM 1259 CA ASN A 78 -6.370 4.585 15.314 1.00 62.44 C ATOM 1260 C ASN A 78 -5.866 5.907 14.665 1.00 43.03 C ATOM 1261 O ASN A 78 -5.396 5.894 13.523 1.00 44.21 O ATOM 1262 CB ASN A 78 -7.922 4.520 15.316 1.00 10.55 C ATOM 1263 CG ASN A 78 -8.510 4.416 13.905 1.00 71.13 C ATOM 1264 OD1 ASN A 78 -8.671 3.328 13.374 1.00 62.22 O ATOM 1265 ND2 ASN A 78 -8.824 5.535 13.286 1.00 32.43 N ATOM 0 H ASN A 78 -6.584 4.195 17.377 1.00 71.21 H new ATOM 0 HA ASN A 78 -5.978 3.775 14.699 1.00 62.44 H new ATOM 0 HB2 ASN A 78 -8.245 3.661 15.904 1.00 10.55 H new ATOM 0 HB3 ASN A 78 -8.318 5.409 15.806 1.00 10.55 H new ATOM 0 HD21 ASN A 78 -9.211 5.505 12.343 1.00 32.43 H new ATOM 0 HD22 ASN A 78 -8.681 6.432 13.750 1.00 32.43 H new ATOM 1272 N THR A 79 -5.995 7.041 15.395 1.00 74.24 N ATOM 1273 CA THR A 79 -5.447 8.364 14.976 1.00 73.31 C ATOM 1274 C THR A 79 -3.936 8.320 14.589 1.00 54.42 C ATOM 1275 O THR A 79 -3.534 8.908 13.574 1.00 71.02 O ATOM 1276 CB THR A 79 -5.691 9.421 16.114 1.00 61.44 C ATOM 1277 OG1 THR A 79 -7.098 9.475 16.423 1.00 32.43 O ATOM 1278 CG2 THR A 79 -5.219 10.841 15.741 1.00 41.45 C ATOM 0 H THR A 79 -6.481 7.070 16.291 1.00 74.24 H new ATOM 0 HA THR A 79 -5.980 8.654 14.071 1.00 73.31 H new ATOM 0 HB THR A 79 -5.103 9.095 16.972 1.00 61.44 H new ATOM 0 HG1 THR A 79 -7.252 10.132 17.133 1.00 32.43 H new ATOM 0 HG21 THR A 79 -5.417 11.520 16.570 1.00 41.45 H new ATOM 0 HG22 THR A 79 -4.149 10.826 15.532 1.00 41.45 H new ATOM 0 HG23 THR A 79 -5.756 11.182 14.856 1.00 41.45 H new ATOM 1286 N LYS A 80 -3.117 7.620 15.401 1.00 52.51 N ATOM 1287 CA LYS A 80 -1.662 7.438 15.126 1.00 10.34 C ATOM 1288 C LYS A 80 -1.417 6.606 13.836 1.00 52.23 C ATOM 1289 O LYS A 80 -0.495 6.902 13.075 1.00 12.13 O ATOM 1290 CB LYS A 80 -0.948 6.773 16.341 1.00 40.23 C ATOM 1291 CG LYS A 80 0.591 6.637 16.209 1.00 42.43 C ATOM 1292 CD LYS A 80 1.296 8.004 16.032 1.00 70.22 C ATOM 1293 CE LYS A 80 2.811 7.879 15.813 1.00 33.11 C ATOM 1294 NZ LYS A 80 3.511 7.343 17.012 1.00 14.41 N ATOM 0 H LYS A 80 -3.433 7.167 16.258 1.00 52.51 H new ATOM 0 HA LYS A 80 -1.238 8.429 14.968 1.00 10.34 H new ATOM 0 HB2 LYS A 80 -1.170 7.355 17.235 1.00 40.23 H new ATOM 0 HB3 LYS A 80 -1.373 5.781 16.493 1.00 40.23 H new ATOM 0 HG2 LYS A 80 0.986 6.141 17.096 1.00 42.43 H new ATOM 0 HG3 LYS A 80 0.824 5.999 15.356 1.00 42.43 H new ATOM 0 HD2 LYS A 80 0.854 8.526 15.183 1.00 70.22 H new ATOM 0 HD3 LYS A 80 1.112 8.617 16.914 1.00 70.22 H new ATOM 0 HE2 LYS A 80 3.000 7.225 14.962 1.00 33.11 H new ATOM 0 HE3 LYS A 80 3.222 8.857 15.562 1.00 33.11 H new ATOM 0 HZ1 LYS A 80 4.531 7.276 16.818 1.00 14.41 H new ATOM 0 HZ2 LYS A 80 3.353 7.979 17.819 1.00 14.41 H new ATOM 0 HZ3 LYS A 80 3.139 6.398 17.238 1.00 14.41 H new ATOM 1308 N VAL A 81 -2.270 5.588 13.593 1.00 62.42 N ATOM 1309 CA VAL A 81 -2.174 4.723 12.383 1.00 41.11 C ATOM 1310 C VAL A 81 -2.429 5.543 11.078 1.00 33.33 C ATOM 1311 O VAL A 81 -1.956 5.176 10.002 1.00 1.02 O ATOM 1312 CB VAL A 81 -3.180 3.500 12.456 1.00 63.32 C ATOM 1313 CG1 VAL A 81 -3.008 2.530 11.256 1.00 55.15 C ATOM 1314 CG2 VAL A 81 -3.049 2.738 13.801 1.00 21.31 C ATOM 0 H VAL A 81 -3.037 5.339 14.217 1.00 62.42 H new ATOM 0 HA VAL A 81 -1.158 4.330 12.356 1.00 41.11 H new ATOM 0 HB VAL A 81 -4.185 3.917 12.398 1.00 63.32 H new ATOM 0 HG11 VAL A 81 -3.718 1.708 11.348 1.00 55.15 H new ATOM 0 HG12 VAL A 81 -3.193 3.066 10.325 1.00 55.15 H new ATOM 0 HG13 VAL A 81 -1.992 2.134 11.251 1.00 55.15 H new ATOM 0 HG21 VAL A 81 -3.753 1.906 13.818 1.00 21.31 H new ATOM 0 HG22 VAL A 81 -2.033 2.356 13.906 1.00 21.31 H new ATOM 0 HG23 VAL A 81 -3.269 3.416 14.626 1.00 21.31 H new ATOM 1324 N ILE A 82 -3.162 6.668 11.201 1.00 45.10 N ATOM 1325 CA ILE A 82 -3.479 7.559 10.060 1.00 24.42 C ATOM 1326 C ILE A 82 -2.234 8.352 9.590 1.00 53.23 C ATOM 1327 O ILE A 82 -1.858 8.275 8.419 1.00 42.30 O ATOM 1328 CB ILE A 82 -4.642 8.540 10.452 1.00 3.54 C ATOM 1329 CG1 ILE A 82 -5.926 7.721 10.797 1.00 63.23 C ATOM 1330 CG2 ILE A 82 -4.921 9.598 9.347 1.00 52.22 C ATOM 1331 CD1 ILE A 82 -7.030 8.529 11.435 1.00 45.01 C ATOM 0 H ILE A 82 -3.551 6.986 12.089 1.00 45.10 H new ATOM 0 HA ILE A 82 -3.802 6.936 9.226 1.00 24.42 H new ATOM 0 HB ILE A 82 -4.330 9.099 11.334 1.00 3.54 H new ATOM 0 HG12 ILE A 82 -6.308 7.265 9.883 1.00 63.23 H new ATOM 0 HG13 ILE A 82 -5.653 6.907 11.469 1.00 63.23 H new ATOM 0 HG21 ILE A 82 -5.733 10.252 9.666 1.00 52.22 H new ATOM 0 HG22 ILE A 82 -4.023 10.192 9.176 1.00 52.22 H new ATOM 0 HG23 ILE A 82 -5.203 9.093 8.423 1.00 52.22 H new ATOM 0 HD11 ILE A 82 -7.882 7.882 11.641 1.00 45.01 H new ATOM 0 HD12 ILE A 82 -6.671 8.963 12.368 1.00 45.01 H new ATOM 0 HD13 ILE A 82 -7.335 9.327 10.758 1.00 45.01 H new ATOM 1343 N GLU A 83 -1.577 9.074 10.523 1.00 14.04 N ATOM 1344 CA GLU A 83 -0.336 9.843 10.216 1.00 40.33 C ATOM 1345 C GLU A 83 0.834 8.909 9.811 1.00 70.33 C ATOM 1346 O GLU A 83 1.773 9.320 9.114 1.00 54.33 O ATOM 1347 CB GLU A 83 0.087 10.732 11.420 1.00 61.10 C ATOM 1348 CG GLU A 83 0.502 9.956 12.686 1.00 2.23 C ATOM 1349 CD GLU A 83 1.118 10.852 13.775 1.00 2.52 C ATOM 1350 OE1 GLU A 83 2.334 11.161 13.687 1.00 71.03 O ATOM 1351 OE2 GLU A 83 0.400 11.241 14.725 1.00 25.23 O ATOM 0 H GLU A 83 -1.879 9.145 11.495 1.00 14.04 H new ATOM 0 HA GLU A 83 -0.566 10.488 9.368 1.00 40.33 H new ATOM 0 HB2 GLU A 83 0.919 11.365 11.111 1.00 61.10 H new ATOM 0 HB3 GLU A 83 -0.741 11.394 11.673 1.00 61.10 H new ATOM 0 HG2 GLU A 83 -0.371 9.448 13.095 1.00 2.23 H new ATOM 0 HG3 GLU A 83 1.221 9.184 12.411 1.00 2.23 H new ATOM 1358 N LEU A 84 0.744 7.646 10.254 1.00 70.00 N ATOM 1359 CA LEU A 84 1.739 6.590 9.992 1.00 62.14 C ATOM 1360 C LEU A 84 1.505 6.029 8.560 1.00 2.11 C ATOM 1361 O LEU A 84 2.445 5.873 7.774 1.00 14.43 O ATOM 1362 CB LEU A 84 1.566 5.483 11.099 1.00 13.23 C ATOM 1363 CG LEU A 84 2.826 4.662 11.530 1.00 15.43 C ATOM 1364 CD1 LEU A 84 2.525 3.804 12.787 1.00 22.32 C ATOM 1365 CD2 LEU A 84 3.372 3.785 10.385 1.00 34.40 C ATOM 0 H LEU A 84 -0.041 7.321 10.818 1.00 70.00 H new ATOM 0 HA LEU A 84 2.760 6.969 10.036 1.00 62.14 H new ATOM 0 HB2 LEU A 84 1.162 5.964 11.990 1.00 13.23 H new ATOM 0 HB3 LEU A 84 0.813 4.777 10.748 1.00 13.23 H new ATOM 0 HG LEU A 84 3.605 5.382 11.781 1.00 15.43 H new ATOM 0 HD11 LEU A 84 3.417 3.243 13.066 1.00 22.32 H new ATOM 0 HD12 LEU A 84 2.233 4.455 13.611 1.00 22.32 H new ATOM 0 HD13 LEU A 84 1.713 3.110 12.568 1.00 22.32 H new ATOM 0 HD21 LEU A 84 4.246 3.235 10.733 1.00 34.40 H new ATOM 0 HD22 LEU A 84 2.603 3.081 10.067 1.00 34.40 H new ATOM 0 HD23 LEU A 84 3.654 4.419 9.544 1.00 34.40 H new ATOM 1377 N GLY A 85 0.221 5.766 8.255 1.00 61.40 N ATOM 1378 CA GLY A 85 -0.217 5.216 6.967 1.00 13.44 C ATOM 1379 C GLY A 85 0.026 6.142 5.768 1.00 11.31 C ATOM 1380 O GLY A 85 0.666 5.728 4.792 1.00 40.30 O ATOM 0 H GLY A 85 -0.547 5.933 8.906 1.00 61.40 H new ATOM 0 HA2 GLY A 85 0.301 4.273 6.793 1.00 13.44 H new ATOM 0 HA3 GLY A 85 -1.281 4.989 7.026 1.00 13.44 H new ATOM 1384 N THR A 86 -0.478 7.400 5.841 1.00 45.45 N ATOM 1385 CA THR A 86 -0.286 8.421 4.769 1.00 23.02 C ATOM 1386 C THR A 86 1.214 8.636 4.427 1.00 2.20 C ATOM 1387 O THR A 86 1.568 8.821 3.270 1.00 61.12 O ATOM 1388 CB THR A 86 -0.903 9.817 5.171 1.00 40.13 C ATOM 1389 OG1 THR A 86 -0.145 10.388 6.235 1.00 10.31 O ATOM 1390 CG2 THR A 86 -2.374 9.745 5.626 1.00 71.12 C ATOM 0 H THR A 86 -1.024 7.737 6.634 1.00 45.45 H new ATOM 0 HA THR A 86 -0.804 8.027 3.895 1.00 23.02 H new ATOM 0 HB THR A 86 -0.867 10.426 4.268 1.00 40.13 H new ATOM 0 HG1 THR A 86 0.588 10.923 5.864 1.00 10.31 H new ATOM 0 HG21 THR A 86 -2.724 10.744 5.885 1.00 71.12 H new ATOM 0 HG22 THR A 86 -2.986 9.344 4.818 1.00 71.12 H new ATOM 0 HG23 THR A 86 -2.454 9.096 6.498 1.00 71.12 H new ATOM 1398 N LYS A 87 2.068 8.635 5.466 1.00 42.03 N ATOM 1399 CA LYS A 87 3.544 8.737 5.318 1.00 22.33 C ATOM 1400 C LYS A 87 4.146 7.677 4.338 1.00 62.35 C ATOM 1401 O LYS A 87 5.065 7.995 3.575 1.00 11.25 O ATOM 1402 CB LYS A 87 4.221 8.659 6.714 1.00 21.15 C ATOM 1403 CG LYS A 87 5.767 8.760 6.691 1.00 21.04 C ATOM 1404 CD LYS A 87 6.401 8.797 8.101 1.00 13.12 C ATOM 1405 CE LYS A 87 6.033 7.583 8.977 1.00 54.54 C ATOM 1406 NZ LYS A 87 6.712 7.627 10.299 1.00 4.11 N ATOM 0 H LYS A 87 1.761 8.564 6.436 1.00 42.03 H new ATOM 0 HA LYS A 87 3.753 9.706 4.866 1.00 22.33 H new ATOM 0 HB2 LYS A 87 3.827 9.461 7.339 1.00 21.15 H new ATOM 0 HB3 LYS A 87 3.939 7.718 7.187 1.00 21.15 H new ATOM 0 HG2 LYS A 87 6.171 7.910 6.141 1.00 21.04 H new ATOM 0 HG3 LYS A 87 6.057 9.659 6.147 1.00 21.04 H new ATOM 0 HD2 LYS A 87 7.485 8.847 8.001 1.00 13.12 H new ATOM 0 HD3 LYS A 87 6.085 9.709 8.608 1.00 13.12 H new ATOM 0 HE2 LYS A 87 4.953 7.555 9.124 1.00 54.54 H new ATOM 0 HE3 LYS A 87 6.307 6.664 8.458 1.00 54.54 H new ATOM 0 HZ1 LYS A 87 6.438 6.794 10.858 1.00 4.11 H new ATOM 0 HZ2 LYS A 87 7.743 7.628 10.160 1.00 4.11 H new ATOM 0 HZ3 LYS A 87 6.431 8.491 10.805 1.00 4.11 H new ATOM 1420 N HIS A 88 3.622 6.429 4.337 1.00 72.31 N ATOM 1421 CA HIS A 88 4.110 5.351 3.423 1.00 42.13 C ATOM 1422 C HIS A 88 3.392 5.333 2.039 1.00 32.42 C ATOM 1423 O HIS A 88 3.520 4.360 1.290 1.00 64.14 O ATOM 1424 CB HIS A 88 4.005 3.976 4.143 1.00 73.03 C ATOM 1425 CG HIS A 88 4.928 3.875 5.329 1.00 20.40 C ATOM 1426 ND1 HIS A 88 4.586 4.315 6.587 1.00 33.32 N ATOM 1427 CD2 HIS A 88 6.208 3.444 5.429 1.00 32.44 C ATOM 1428 CE1 HIS A 88 5.609 4.170 7.398 1.00 13.24 C ATOM 1429 NE2 HIS A 88 6.604 3.644 6.723 1.00 43.14 N ATOM 0 H HIS A 88 2.864 6.137 4.954 1.00 72.31 H new ATOM 0 HA HIS A 88 5.154 5.564 3.195 1.00 42.13 H new ATOM 0 HB2 HIS A 88 2.978 3.819 4.472 1.00 73.03 H new ATOM 0 HB3 HIS A 88 4.239 3.180 3.436 1.00 73.03 H new ATOM 0 HD1 HIS A 88 3.677 4.696 6.850 1.00 33.32 H new ATOM 0 HD2 HIS A 88 6.805 3.021 4.635 1.00 32.44 H new ATOM 0 HE1 HIS A 88 5.628 4.438 8.444 1.00 13.24 H new ATOM 0 HE2 HIS A 88 7.524 3.420 7.102 1.00 43.14 H new ATOM 1438 N PHE A 89 2.649 6.412 1.701 1.00 23.42 N ATOM 1439 CA PHE A 89 2.092 6.637 0.330 1.00 55.41 C ATOM 1440 C PHE A 89 2.336 8.103 -0.097 1.00 20.52 C ATOM 1441 O PHE A 89 3.175 8.383 -0.956 1.00 31.20 O ATOM 1442 CB PHE A 89 0.569 6.300 0.275 1.00 34.54 C ATOM 1443 CG PHE A 89 0.249 4.840 0.601 1.00 50.04 C ATOM 1444 CD1 PHE A 89 0.321 3.853 -0.384 1.00 60.04 C ATOM 1445 CD2 PHE A 89 -0.090 4.455 1.898 1.00 41.44 C ATOM 1446 CE1 PHE A 89 0.064 2.530 -0.078 1.00 21.30 C ATOM 1447 CE2 PHE A 89 -0.348 3.137 2.197 1.00 3.33 C ATOM 1448 CZ PHE A 89 -0.271 2.174 1.211 1.00 0.21 C ATOM 0 H PHE A 89 2.415 7.153 2.362 1.00 23.42 H new ATOM 0 HA PHE A 89 2.603 5.970 -0.364 1.00 55.41 H new ATOM 0 HB2 PHE A 89 0.038 6.944 0.976 1.00 34.54 H new ATOM 0 HB3 PHE A 89 0.191 6.532 -0.721 1.00 34.54 H new ATOM 0 HD1 PHE A 89 0.580 4.126 -1.396 1.00 60.04 H new ATOM 0 HD2 PHE A 89 -0.151 5.200 2.677 1.00 41.44 H new ATOM 0 HE1 PHE A 89 0.126 1.775 -0.848 1.00 21.30 H new ATOM 0 HE2 PHE A 89 -0.611 2.855 3.206 1.00 3.33 H new ATOM 0 HZ PHE A 89 -0.473 1.140 1.450 1.00 0.21 H new ATOM 1458 N LEU A 90 1.618 9.032 0.564 1.00 14.42 N ATOM 1459 CA LEU A 90 1.731 10.498 0.342 1.00 63.03 C ATOM 1460 C LEU A 90 3.151 11.049 0.665 1.00 23.34 C ATOM 1461 O LEU A 90 3.518 12.136 0.215 1.00 60.11 O ATOM 1462 CB LEU A 90 0.660 11.236 1.202 1.00 72.00 C ATOM 1463 CG LEU A 90 -0.830 10.849 0.924 1.00 31.52 C ATOM 1464 CD1 LEU A 90 -1.807 11.681 1.787 1.00 61.24 C ATOM 1465 CD2 LEU A 90 -1.163 10.959 -0.580 1.00 71.12 C ATOM 0 H LEU A 90 0.932 8.788 1.278 1.00 14.42 H new ATOM 0 HA LEU A 90 1.557 10.683 -0.718 1.00 63.03 H new ATOM 0 HB2 LEU A 90 0.874 11.046 2.254 1.00 72.00 H new ATOM 0 HB3 LEU A 90 0.772 12.309 1.043 1.00 72.00 H new ATOM 0 HG LEU A 90 -0.958 9.806 1.214 1.00 31.52 H new ATOM 0 HD11 LEU A 90 -2.832 11.383 1.566 1.00 61.24 H new ATOM 0 HD12 LEU A 90 -1.599 11.507 2.843 1.00 61.24 H new ATOM 0 HD13 LEU A 90 -1.680 12.740 1.562 1.00 61.24 H new ATOM 0 HD21 LEU A 90 -2.205 10.684 -0.743 1.00 71.12 H new ATOM 0 HD22 LEU A 90 -1.002 11.984 -0.914 1.00 71.12 H new ATOM 0 HD23 LEU A 90 -0.518 10.287 -1.146 1.00 71.12 H new ATOM 1477 N GLY A 91 3.929 10.291 1.459 1.00 3.32 N ATOM 1478 CA GLY A 91 5.320 10.654 1.781 1.00 52.43 C ATOM 1479 C GLY A 91 5.465 11.602 2.975 1.00 14.53 C ATOM 1480 O GLY A 91 6.591 11.970 3.340 1.00 33.54 O ATOM 0 H GLY A 91 3.616 9.421 1.890 1.00 3.32 H new ATOM 0 HA2 GLY A 91 5.883 9.743 1.985 1.00 52.43 H new ATOM 0 HA3 GLY A 91 5.773 11.119 0.906 1.00 52.43 H new ATOM 1484 N ARG A 92 4.325 11.984 3.589 1.00 30.42 N ATOM 1485 CA ARG A 92 4.293 12.927 4.732 1.00 13.42 C ATOM 1486 C ARG A 92 2.984 12.741 5.566 1.00 21.34 C ATOM 1487 O ARG A 92 2.099 11.972 5.175 1.00 53.31 O ATOM 1488 CB ARG A 92 4.519 14.414 4.214 1.00 11.50 C ATOM 1489 CG ARG A 92 3.293 15.362 4.121 1.00 51.15 C ATOM 1490 CD ARG A 92 2.220 14.969 3.079 1.00 4.20 C ATOM 1491 NE ARG A 92 1.032 15.827 3.249 1.00 1.11 N ATOM 1492 CZ ARG A 92 -0.165 15.613 2.754 1.00 33.15 C ATOM 1493 NH1 ARG A 92 -0.389 14.667 1.900 1.00 25.34 N ATOM 1494 NH2 ARG A 92 -1.129 16.401 3.091 1.00 2.34 N ATOM 0 H ARG A 92 3.403 11.650 3.309 1.00 30.42 H new ATOM 0 HA ARG A 92 5.112 12.709 5.417 1.00 13.42 H new ATOM 0 HB2 ARG A 92 5.253 14.885 4.868 1.00 11.50 H new ATOM 0 HB3 ARG A 92 4.968 14.355 3.222 1.00 11.50 H new ATOM 0 HG2 ARG A 92 2.820 15.412 5.102 1.00 51.15 H new ATOM 0 HG3 ARG A 92 3.649 16.365 3.888 1.00 51.15 H new ATOM 0 HD2 ARG A 92 2.620 15.078 2.071 1.00 4.20 H new ATOM 0 HD3 ARG A 92 1.946 13.921 3.201 1.00 4.20 H new ATOM 0 HE ARG A 92 1.153 16.672 3.808 1.00 1.11 H new ATOM 0 HH11 ARG A 92 0.375 14.064 1.595 1.00 25.34 H new ATOM 0 HH12 ARG A 92 -1.330 14.524 1.532 1.00 25.34 H new ATOM 0 HH21 ARG A 92 -0.955 17.175 3.732 1.00 2.34 H new ATOM 0 HH22 ARG A 92 -2.066 16.250 2.716 1.00 2.34 H new ATOM 1508 N ALA A 93 2.878 13.467 6.698 1.00 41.33 N ATOM 1509 CA ALA A 93 1.686 13.440 7.600 1.00 2.21 C ATOM 1510 C ALA A 93 0.488 14.248 6.987 1.00 43.41 C ATOM 1511 O ALA A 93 0.710 15.061 6.091 1.00 3.55 O ATOM 1512 CB ALA A 93 2.104 14.008 8.975 1.00 51.24 C ATOM 0 H ALA A 93 3.614 14.094 7.022 1.00 41.33 H new ATOM 0 HA ALA A 93 1.339 12.414 7.719 1.00 2.21 H new ATOM 0 HB1 ALA A 93 1.247 13.997 9.649 1.00 51.24 H new ATOM 0 HB2 ALA A 93 2.903 13.396 9.394 1.00 51.24 H new ATOM 0 HB3 ALA A 93 2.457 15.032 8.854 1.00 51.24 H new ATOM 1518 N PRO A 94 -0.812 14.033 7.439 1.00 65.41 N ATOM 1519 CA PRO A 94 -1.988 14.874 6.997 1.00 5.41 C ATOM 1520 C PRO A 94 -1.812 16.415 7.236 1.00 14.02 C ATOM 1521 O PRO A 94 -0.763 16.872 7.706 1.00 40.41 O ATOM 1522 CB PRO A 94 -3.169 14.295 7.832 1.00 32.15 C ATOM 1523 CG PRO A 94 -2.760 12.879 8.128 1.00 65.12 C ATOM 1524 CD PRO A 94 -1.262 12.942 8.358 1.00 2.13 C ATOM 0 HA PRO A 94 -2.133 14.815 5.918 1.00 5.41 H new ATOM 0 HB2 PRO A 94 -3.323 14.864 8.749 1.00 32.15 H new ATOM 0 HB3 PRO A 94 -4.105 14.330 7.274 1.00 32.15 H new ATOM 0 HG2 PRO A 94 -3.278 12.494 9.006 1.00 65.12 H new ATOM 0 HG3 PRO A 94 -3.004 12.216 7.298 1.00 65.12 H new ATOM 0 HD2 PRO A 94 -1.025 13.170 9.397 1.00 2.13 H new ATOM 0 HD3 PRO A 94 -0.780 11.994 8.121 1.00 2.13 H new ATOM 1532 N ILE A 95 -2.871 17.214 6.980 1.00 22.40 N ATOM 1533 CA ILE A 95 -2.758 18.699 6.829 1.00 3.53 C ATOM 1534 C ILE A 95 -3.126 19.410 8.169 1.00 72.22 C ATOM 1535 O ILE A 95 -2.612 20.492 8.481 1.00 31.12 O ATOM 1536 CB ILE A 95 -3.711 19.198 5.657 1.00 4.51 C ATOM 1537 CG1 ILE A 95 -3.270 18.562 4.297 1.00 75.21 C ATOM 1538 CG2 ILE A 95 -3.776 20.749 5.561 1.00 2.43 C ATOM 1539 CD1 ILE A 95 -4.118 18.952 3.088 1.00 63.12 C ATOM 0 H ILE A 95 -3.822 16.862 6.872 1.00 22.40 H new ATOM 0 HA ILE A 95 -1.728 18.951 6.577 1.00 3.53 H new ATOM 0 HB ILE A 95 -4.722 18.864 5.891 1.00 4.51 H new ATOM 0 HG12 ILE A 95 -2.236 18.845 4.101 1.00 75.21 H new ATOM 0 HG13 ILE A 95 -3.290 17.477 4.399 1.00 75.21 H new ATOM 0 HG21 ILE A 95 -4.440 21.036 4.745 1.00 2.43 H new ATOM 0 HG22 ILE A 95 -4.156 21.156 6.498 1.00 2.43 H new ATOM 0 HG23 ILE A 95 -2.778 21.144 5.372 1.00 2.43 H new ATOM 0 HD11 ILE A 95 -3.730 18.459 2.197 1.00 63.12 H new ATOM 0 HD12 ILE A 95 -5.150 18.643 3.253 1.00 63.12 H new ATOM 0 HD13 ILE A 95 -4.080 20.033 2.950 1.00 63.12 H new ATOM 1551 N ASP A 96 -3.927 18.707 8.989 1.00 1.02 N ATOM 1552 CA ASP A 96 -4.596 19.245 10.203 1.00 73.20 C ATOM 1553 C ASP A 96 -5.445 18.125 10.860 1.00 12.05 C ATOM 1554 O ASP A 96 -5.442 16.990 10.374 1.00 64.40 O ATOM 1555 CB ASP A 96 -5.476 20.489 9.857 1.00 43.33 C ATOM 1556 CG ASP A 96 -6.656 20.167 8.924 1.00 42.43 C ATOM 1557 OD1 ASP A 96 -6.474 20.125 7.691 1.00 73.43 O ATOM 1558 OD2 ASP A 96 -7.770 19.939 9.429 1.00 41.14 O ATOM 0 H ASP A 96 -4.137 17.722 8.828 1.00 1.02 H new ATOM 0 HA ASP A 96 -3.836 19.576 10.910 1.00 73.20 H new ATOM 0 HB2 ASP A 96 -5.861 20.920 10.781 1.00 43.33 H new ATOM 0 HB3 ASP A 96 -4.850 21.248 9.388 1.00 43.33 H new ATOM 1563 N GLN A 97 -6.215 18.452 11.921 1.00 62.45 N ATOM 1564 CA GLN A 97 -6.976 17.439 12.705 1.00 21.42 C ATOM 1565 C GLN A 97 -8.263 16.977 11.963 1.00 72.22 C ATOM 1566 O GLN A 97 -8.661 15.813 12.075 1.00 33.41 O ATOM 1567 CB GLN A 97 -7.326 18.009 14.109 1.00 72.34 C ATOM 1568 CG GLN A 97 -8.041 17.023 15.070 1.00 13.42 C ATOM 1569 CD GLN A 97 -7.197 15.790 15.436 1.00 35.31 C ATOM 1570 OE1 GLN A 97 -6.450 15.793 16.408 1.00 24.02 O ATOM 1571 NE2 GLN A 97 -7.312 14.722 14.660 1.00 1.35 N ATOM 0 H GLN A 97 -6.330 19.408 12.259 1.00 62.45 H new ATOM 0 HA GLN A 97 -6.341 16.561 12.823 1.00 21.42 H new ATOM 0 HB2 GLN A 97 -6.406 18.349 14.584 1.00 72.34 H new ATOM 0 HB3 GLN A 97 -7.960 18.886 13.978 1.00 72.34 H new ATOM 0 HG2 GLN A 97 -8.310 17.552 15.984 1.00 13.42 H new ATOM 0 HG3 GLN A 97 -8.971 16.691 14.609 1.00 13.42 H new ATOM 0 HE21 GLN A 97 -7.940 14.741 13.856 1.00 1.35 H new ATOM 0 HE22 GLN A 97 -6.773 13.881 14.867 1.00 1.35 H new ATOM 1580 N ALA A 98 -8.918 17.895 11.229 1.00 0.41 N ATOM 1581 CA ALA A 98 -10.133 17.574 10.432 1.00 41.34 C ATOM 1582 C ALA A 98 -9.793 16.676 9.222 1.00 51.20 C ATOM 1583 O ALA A 98 -10.592 15.813 8.838 1.00 34.14 O ATOM 1584 CB ALA A 98 -10.834 18.865 9.983 1.00 24.12 C ATOM 0 H ALA A 98 -8.630 18.872 11.167 1.00 0.41 H new ATOM 0 HA ALA A 98 -10.817 17.014 11.069 1.00 41.34 H new ATOM 0 HB1 ALA A 98 -11.721 18.614 9.401 1.00 24.12 H new ATOM 0 HB2 ALA A 98 -11.127 19.444 10.859 1.00 24.12 H new ATOM 0 HB3 ALA A 98 -10.153 19.455 9.370 1.00 24.12 H new ATOM 1590 N GLU A 99 -8.598 16.903 8.634 1.00 61.32 N ATOM 1591 CA GLU A 99 -8.009 16.020 7.598 1.00 74.32 C ATOM 1592 C GLU A 99 -7.859 14.569 8.138 1.00 44.24 C ATOM 1593 O GLU A 99 -8.276 13.609 7.488 1.00 2.35 O ATOM 1594 CB GLU A 99 -6.623 16.589 7.173 1.00 72.33 C ATOM 1595 CG GLU A 99 -5.961 15.906 5.952 1.00 73.11 C ATOM 1596 CD GLU A 99 -6.683 16.157 4.614 1.00 75.02 C ATOM 1597 OE1 GLU A 99 -6.939 17.333 4.275 1.00 12.44 O ATOM 1598 OE2 GLU A 99 -6.969 15.192 3.879 1.00 42.41 O ATOM 0 H GLU A 99 -8.012 17.705 8.864 1.00 61.32 H new ATOM 0 HA GLU A 99 -8.670 15.989 6.732 1.00 74.32 H new ATOM 0 HB2 GLU A 99 -6.739 17.650 6.953 1.00 72.33 H new ATOM 0 HB3 GLU A 99 -5.944 16.511 8.022 1.00 72.33 H new ATOM 0 HG2 GLU A 99 -4.933 16.257 5.868 1.00 73.11 H new ATOM 0 HG3 GLU A 99 -5.917 14.832 6.131 1.00 73.11 H new ATOM 1605 N ILE A 100 -7.299 14.448 9.364 1.00 64.34 N ATOM 1606 CA ILE A 100 -7.125 13.153 10.078 1.00 34.04 C ATOM 1607 C ILE A 100 -8.482 12.441 10.332 1.00 52.23 C ATOM 1608 O ILE A 100 -8.616 11.246 10.068 1.00 41.25 O ATOM 1609 CB ILE A 100 -6.375 13.368 11.452 1.00 14.22 C ATOM 1610 CG1 ILE A 100 -4.945 13.948 11.213 1.00 2.32 C ATOM 1611 CG2 ILE A 100 -6.308 12.068 12.301 1.00 2.03 C ATOM 1612 CD1 ILE A 100 -4.229 14.409 12.471 1.00 2.32 C ATOM 0 H ILE A 100 -6.952 15.249 9.892 1.00 64.34 H new ATOM 0 HA ILE A 100 -6.523 12.514 9.432 1.00 34.04 H new ATOM 0 HB ILE A 100 -6.957 14.090 12.024 1.00 14.22 H new ATOM 0 HG12 ILE A 100 -4.337 13.188 10.723 1.00 2.32 H new ATOM 0 HG13 ILE A 100 -5.019 14.790 10.524 1.00 2.32 H new ATOM 0 HG21 ILE A 100 -5.783 12.270 13.235 1.00 2.03 H new ATOM 0 HG22 ILE A 100 -7.319 11.724 12.520 1.00 2.03 H new ATOM 0 HG23 ILE A 100 -5.775 11.297 11.744 1.00 2.03 H new ATOM 0 HD11 ILE A 100 -3.245 14.796 12.208 1.00 2.32 H new ATOM 0 HD12 ILE A 100 -4.811 15.194 12.954 1.00 2.32 H new ATOM 0 HD13 ILE A 100 -4.117 13.568 13.155 1.00 2.32 H new ATOM 1624 N ARG A 101 -9.492 13.191 10.833 1.00 73.31 N ATOM 1625 CA ARG A 101 -10.822 12.641 11.196 1.00 15.41 C ATOM 1626 C ARG A 101 -11.644 12.152 9.969 1.00 5.32 C ATOM 1627 O ARG A 101 -12.459 11.226 10.097 1.00 43.44 O ATOM 1628 CB ARG A 101 -11.601 13.692 12.028 1.00 40.21 C ATOM 1629 CG ARG A 101 -11.040 13.906 13.456 1.00 53.20 C ATOM 1630 CD ARG A 101 -11.732 15.063 14.205 1.00 3.13 C ATOM 1631 NE ARG A 101 -11.368 16.377 13.640 1.00 10.21 N ATOM 1632 CZ ARG A 101 -11.943 17.528 13.929 1.00 12.12 C ATOM 1633 NH1 ARG A 101 -12.981 17.594 14.713 1.00 23.40 N ATOM 1634 NH2 ARG A 101 -11.456 18.620 13.434 1.00 22.25 N ATOM 0 H ARG A 101 -9.409 14.194 10.997 1.00 73.31 H new ATOM 0 HA ARG A 101 -10.658 11.748 11.800 1.00 15.41 H new ATOM 0 HB2 ARG A 101 -11.587 14.644 11.497 1.00 40.21 H new ATOM 0 HB3 ARG A 101 -12.644 13.383 12.101 1.00 40.21 H new ATOM 0 HG2 ARG A 101 -11.158 12.986 14.029 1.00 53.20 H new ATOM 0 HG3 ARG A 101 -9.971 14.108 13.394 1.00 53.20 H new ATOM 0 HD2 ARG A 101 -12.813 14.933 14.156 1.00 3.13 H new ATOM 0 HD3 ARG A 101 -11.455 15.031 15.259 1.00 3.13 H new ATOM 0 HE ARG A 101 -10.603 16.397 12.966 1.00 10.21 H new ATOM 0 HH11 ARG A 101 -13.368 16.742 15.120 1.00 23.40 H new ATOM 0 HH12 ARG A 101 -13.407 18.497 14.920 1.00 23.40 H new ATOM 0 HH21 ARG A 101 -10.636 18.584 12.828 1.00 22.25 H new ATOM 0 HH22 ARG A 101 -11.892 19.517 13.650 1.00 22.25 H new ATOM 1648 N LYS A 102 -11.438 12.793 8.807 1.00 63.24 N ATOM 1649 CA LYS A 102 -11.918 12.282 7.488 1.00 71.51 C ATOM 1650 C LYS A 102 -11.429 10.827 7.247 1.00 50.32 C ATOM 1651 O LYS A 102 -12.217 9.931 6.946 1.00 74.40 O ATOM 1652 CB LYS A 102 -11.356 13.199 6.371 1.00 14.13 C ATOM 1653 CG LYS A 102 -11.702 12.782 4.913 1.00 4.21 C ATOM 1654 CD LYS A 102 -10.726 13.381 3.868 1.00 32.41 C ATOM 1655 CE LYS A 102 -10.558 14.900 4.011 1.00 50.01 C ATOM 1656 NZ LYS A 102 -9.655 15.474 2.987 1.00 40.42 N ATOM 0 H LYS A 102 -10.937 13.679 8.743 1.00 63.24 H new ATOM 0 HA LYS A 102 -13.008 12.285 7.480 1.00 71.51 H new ATOM 0 HB2 LYS A 102 -11.727 14.210 6.537 1.00 14.13 H new ATOM 0 HB3 LYS A 102 -10.271 13.237 6.470 1.00 14.13 H new ATOM 0 HG2 LYS A 102 -11.685 11.695 4.837 1.00 4.21 H new ATOM 0 HG3 LYS A 102 -12.718 13.102 4.680 1.00 4.21 H new ATOM 0 HD2 LYS A 102 -9.753 12.901 3.970 1.00 32.41 H new ATOM 0 HD3 LYS A 102 -11.090 13.153 2.866 1.00 32.41 H new ATOM 0 HE2 LYS A 102 -11.535 15.378 3.937 1.00 50.01 H new ATOM 0 HE3 LYS A 102 -10.167 15.126 5.003 1.00 50.01 H new ATOM 0 HZ1 LYS A 102 -9.842 16.492 2.890 1.00 40.42 H new ATOM 0 HZ2 LYS A 102 -8.666 15.330 3.276 1.00 40.42 H new ATOM 0 HZ3 LYS A 102 -9.821 15.003 2.075 1.00 40.42 H new ATOM 1670 N TYR A 103 -10.130 10.625 7.497 1.00 10.30 N ATOM 1671 CA TYR A 103 -9.442 9.334 7.276 1.00 41.23 C ATOM 1672 C TYR A 103 -9.752 8.334 8.421 1.00 4.13 C ATOM 1673 O TYR A 103 -9.629 7.129 8.243 1.00 12.32 O ATOM 1674 CB TYR A 103 -7.919 9.554 7.129 1.00 74.12 C ATOM 1675 CG TYR A 103 -7.510 10.285 5.835 1.00 32.01 C ATOM 1676 CD1 TYR A 103 -7.817 9.744 4.581 1.00 1.31 C ATOM 1677 CD2 TYR A 103 -6.842 11.508 5.861 1.00 1.13 C ATOM 1678 CE1 TYR A 103 -7.470 10.399 3.414 1.00 2.32 C ATOM 1679 CE2 TYR A 103 -6.496 12.161 4.698 1.00 61.53 C ATOM 1680 CZ TYR A 103 -6.811 11.607 3.478 1.00 4.31 C ATOM 1681 OH TYR A 103 -6.452 12.260 2.314 1.00 13.30 O ATOM 0 H TYR A 103 -9.517 11.354 7.861 1.00 10.30 H new ATOM 0 HA TYR A 103 -9.817 8.901 6.349 1.00 41.23 H new ATOM 0 HB2 TYR A 103 -7.561 10.126 7.985 1.00 74.12 H new ATOM 0 HB3 TYR A 103 -7.418 8.586 7.160 1.00 74.12 H new ATOM 0 HD1 TYR A 103 -8.334 8.798 4.524 1.00 1.31 H new ATOM 0 HD2 TYR A 103 -6.590 11.953 6.812 1.00 1.13 H new ATOM 0 HE1 TYR A 103 -7.715 9.965 2.456 1.00 2.32 H new ATOM 0 HE2 TYR A 103 -5.978 13.107 4.744 1.00 61.53 H new ATOM 0 HH TYR A 103 -5.996 13.099 2.537 1.00 13.30 H new ATOM 1691 N ASN A 104 -10.154 8.878 9.591 1.00 14.42 N ATOM 1692 CA ASN A 104 -10.554 8.103 10.785 1.00 64.42 C ATOM 1693 C ASN A 104 -11.955 7.481 10.589 1.00 5.51 C ATOM 1694 O ASN A 104 -12.181 6.320 10.928 1.00 44.02 O ATOM 1695 CB ASN A 104 -10.517 9.047 12.023 1.00 23.15 C ATOM 1696 CG ASN A 104 -10.407 8.339 13.378 1.00 20.41 C ATOM 1697 OD1 ASN A 104 -11.056 7.334 13.645 1.00 63.23 O ATOM 1698 ND2 ASN A 104 -9.531 8.844 14.221 1.00 12.10 N ATOM 0 H ASN A 104 -10.210 9.886 9.734 1.00 14.42 H new ATOM 0 HA ASN A 104 -9.860 7.278 10.943 1.00 64.42 H new ATOM 0 HB2 ASN A 104 -9.672 9.727 11.916 1.00 23.15 H new ATOM 0 HB3 ASN A 104 -11.420 9.658 12.022 1.00 23.15 H new ATOM 0 HD21 ASN A 104 -9.377 8.398 15.125 1.00 12.10 H new ATOM 0 HD22 ASN A 104 -9.006 9.682 13.970 1.00 12.10 H new ATOM 1705 N GLN A 105 -12.882 8.275 10.009 1.00 35.44 N ATOM 1706 CA GLN A 105 -14.291 7.870 9.786 1.00 50.22 C ATOM 1707 C GLN A 105 -14.401 6.818 8.653 1.00 31.13 C ATOM 1708 O GLN A 105 -15.043 5.782 8.818 1.00 73.45 O ATOM 1709 CB GLN A 105 -15.149 9.120 9.449 1.00 45.31 C ATOM 1710 CG GLN A 105 -16.673 8.874 9.410 1.00 24.23 C ATOM 1711 CD GLN A 105 -17.271 8.530 10.785 1.00 13.03 C ATOM 1712 OE1 GLN A 105 -17.317 7.253 11.124 1.00 3.31 O flip ATOM 1713 NE2 GLN A 105 -17.686 9.405 11.539 1.00 22.25 N flip ATOM 0 H GLN A 105 -12.675 9.218 9.681 1.00 35.44 H new ATOM 0 HA GLN A 105 -14.666 7.412 10.701 1.00 50.22 H new ATOM 0 HB2 GLN A 105 -14.940 9.895 10.186 1.00 45.31 H new ATOM 0 HB3 GLN A 105 -14.834 9.508 8.480 1.00 45.31 H new ATOM 0 HG2 GLN A 105 -17.167 9.763 9.019 1.00 24.23 H new ATOM 0 HG3 GLN A 105 -16.885 8.061 8.716 1.00 24.23 H new ATOM 0 HE21 GLN A 105 -17.641 10.384 11.257 1.00 22.25 H new ATOM 0 HE22 GLN A 105 -18.076 9.153 12.447 1.00 22.25 H new ATOM 1722 N ILE A 106 -13.761 7.126 7.503 1.00 13.21 N ATOM 1723 CA ILE A 106 -13.663 6.219 6.322 1.00 20.34 C ATOM 1724 C ILE A 106 -13.016 4.846 6.700 1.00 73.44 C ATOM 1725 O ILE A 106 -13.432 3.788 6.207 1.00 35.42 O ATOM 1726 CB ILE A 106 -12.851 6.944 5.164 1.00 61.13 C ATOM 1727 CG1 ILE A 106 -13.621 8.214 4.660 1.00 31.14 C ATOM 1728 CG2 ILE A 106 -12.528 5.996 3.982 1.00 1.53 C ATOM 1729 CD1 ILE A 106 -12.874 9.057 3.630 1.00 3.13 C ATOM 0 H ILE A 106 -13.291 8.020 7.360 1.00 13.21 H new ATOM 0 HA ILE A 106 -14.670 6.001 5.965 1.00 20.34 H new ATOM 0 HB ILE A 106 -11.898 7.254 5.591 1.00 61.13 H new ATOM 0 HG12 ILE A 106 -14.570 7.897 4.228 1.00 31.14 H new ATOM 0 HG13 ILE A 106 -13.856 8.842 5.519 1.00 31.14 H new ATOM 0 HG21 ILE A 106 -11.973 6.542 3.219 1.00 1.53 H new ATOM 0 HG22 ILE A 106 -11.927 5.160 4.340 1.00 1.53 H new ATOM 0 HG23 ILE A 106 -13.457 5.618 3.554 1.00 1.53 H new ATOM 0 HD11 ILE A 106 -13.488 9.911 3.344 1.00 3.13 H new ATOM 0 HD12 ILE A 106 -11.937 9.411 4.060 1.00 3.13 H new ATOM 0 HD13 ILE A 106 -12.662 8.451 2.749 1.00 3.13 H new ATOM 1741 N LEU A 107 -12.019 4.892 7.603 1.00 31.11 N ATOM 1742 CA LEU A 107 -11.316 3.685 8.120 1.00 74.14 C ATOM 1743 C LEU A 107 -12.234 2.875 9.080 1.00 51.44 C ATOM 1744 O LEU A 107 -12.372 1.659 8.945 1.00 10.44 O ATOM 1745 CB LEU A 107 -9.989 4.126 8.823 1.00 65.12 C ATOM 1746 CG LEU A 107 -8.913 3.025 9.168 1.00 22.43 C ATOM 1747 CD1 LEU A 107 -7.528 3.670 9.392 1.00 71.52 C ATOM 1748 CD2 LEU A 107 -9.305 2.176 10.400 1.00 0.01 C ATOM 0 H LEU A 107 -11.672 5.765 8.000 1.00 31.11 H new ATOM 0 HA LEU A 107 -11.068 3.025 7.289 1.00 74.14 H new ATOM 0 HB2 LEU A 107 -9.509 4.869 8.187 1.00 65.12 H new ATOM 0 HB3 LEU A 107 -10.258 4.628 9.752 1.00 65.12 H new ATOM 0 HG LEU A 107 -8.867 2.353 8.311 1.00 22.43 H new ATOM 0 HD11 LEU A 107 -6.800 2.895 9.629 1.00 71.52 H new ATOM 0 HD12 LEU A 107 -7.220 4.193 8.487 1.00 71.52 H new ATOM 0 HD13 LEU A 107 -7.586 4.378 10.219 1.00 71.52 H new ATOM 0 HD21 LEU A 107 -8.530 1.434 10.592 1.00 0.01 H new ATOM 0 HD22 LEU A 107 -9.411 2.824 11.270 1.00 0.01 H new ATOM 0 HD23 LEU A 107 -10.251 1.670 10.207 1.00 0.01 H new ATOM 1760 N ALA A 108 -12.841 3.572 10.053 1.00 24.40 N ATOM 1761 CA ALA A 108 -13.660 2.951 11.123 1.00 63.54 C ATOM 1762 C ALA A 108 -14.933 2.263 10.575 1.00 51.25 C ATOM 1763 O ALA A 108 -15.319 1.188 11.052 1.00 45.54 O ATOM 1764 CB ALA A 108 -14.024 4.013 12.170 1.00 4.40 C ATOM 0 H ALA A 108 -12.781 4.588 10.126 1.00 24.40 H new ATOM 0 HA ALA A 108 -13.062 2.167 11.586 1.00 63.54 H new ATOM 0 HB1 ALA A 108 -14.626 3.557 12.956 1.00 4.40 H new ATOM 0 HB2 ALA A 108 -13.112 4.424 12.603 1.00 4.40 H new ATOM 0 HB3 ALA A 108 -14.593 4.812 11.695 1.00 4.40 H new ATOM 1770 N THR A 109 -15.588 2.911 9.593 1.00 42.23 N ATOM 1771 CA THR A 109 -16.789 2.364 8.915 1.00 51.05 C ATOM 1772 C THR A 109 -16.439 1.243 7.904 1.00 10.22 C ATOM 1773 O THR A 109 -16.815 0.080 8.092 1.00 63.40 O ATOM 1774 CB THR A 109 -17.597 3.495 8.173 1.00 74.34 C ATOM 1775 OG1 THR A 109 -16.738 4.210 7.259 1.00 4.11 O ATOM 1776 CG2 THR A 109 -18.248 4.485 9.160 1.00 1.43 C ATOM 0 H THR A 109 -15.304 3.827 9.245 1.00 42.23 H new ATOM 0 HA THR A 109 -17.407 1.934 9.703 1.00 51.05 H new ATOM 0 HB THR A 109 -18.396 3.006 7.616 1.00 74.34 H new ATOM 0 HG1 THR A 109 -16.144 4.804 7.765 1.00 4.11 H new ATOM 0 HG21 THR A 109 -18.794 5.247 8.604 1.00 1.43 H new ATOM 0 HG22 THR A 109 -18.937 3.948 9.813 1.00 1.43 H new ATOM 0 HG23 THR A 109 -17.474 4.960 9.762 1.00 1.43 H new ATOM 1784 N GLN A 110 -15.713 1.616 6.839 1.00 3.31 N ATOM 1785 CA GLN A 110 -15.493 0.757 5.647 1.00 50.25 C ATOM 1786 C GLN A 110 -14.270 -0.176 5.794 1.00 31.03 C ATOM 1787 O GLN A 110 -14.298 -1.319 5.318 1.00 11.42 O ATOM 1788 CB GLN A 110 -15.354 1.664 4.399 1.00 61.11 C ATOM 1789 CG GLN A 110 -16.540 2.632 4.206 1.00 75.42 C ATOM 1790 CD GLN A 110 -16.357 3.608 3.047 1.00 32.33 C ATOM 1791 OE1 GLN A 110 -16.745 3.335 1.915 1.00 62.43 O ATOM 1792 NE2 GLN A 110 -15.753 4.749 3.318 1.00 2.11 N ATOM 0 H GLN A 110 -15.256 2.526 6.772 1.00 3.31 H new ATOM 0 HA GLN A 110 -16.355 0.099 5.539 1.00 50.25 H new ATOM 0 HB2 GLN A 110 -14.433 2.242 4.480 1.00 61.11 H new ATOM 0 HB3 GLN A 110 -15.259 1.037 3.513 1.00 61.11 H new ATOM 0 HG2 GLN A 110 -17.447 2.051 4.040 1.00 75.42 H new ATOM 0 HG3 GLN A 110 -16.688 3.198 5.126 1.00 75.42 H new ATOM 0 HE21 GLN A 110 -15.442 4.948 4.269 1.00 2.11 H new ATOM 0 HE22 GLN A 110 -15.597 5.432 2.577 1.00 2.11 H new ATOM 1801 N GLY A 111 -13.193 0.321 6.431 1.00 14.31 N ATOM 1802 CA GLY A 111 -11.997 -0.494 6.692 1.00 51.42 C ATOM 1803 C GLY A 111 -10.700 0.227 6.350 1.00 43.50 C ATOM 1804 O GLY A 111 -10.717 1.326 5.771 1.00 40.22 O ATOM 0 H GLY A 111 -13.129 1.280 6.772 1.00 14.31 H new ATOM 0 HA2 GLY A 111 -11.981 -0.780 7.744 1.00 51.42 H new ATOM 0 HA3 GLY A 111 -12.058 -1.415 6.112 1.00 51.42 H new ATOM 1808 N ILE A 112 -9.566 -0.417 6.695 1.00 20.32 N ATOM 1809 CA ILE A 112 -8.217 0.085 6.359 1.00 73.21 C ATOM 1810 C ILE A 112 -8.040 0.176 4.812 1.00 3.22 C ATOM 1811 O ILE A 112 -7.353 1.058 4.315 1.00 25.34 O ATOM 1812 CB ILE A 112 -7.081 -0.815 7.000 1.00 21.33 C ATOM 1813 CG1 ILE A 112 -5.661 -0.187 6.790 1.00 14.52 C ATOM 1814 CG2 ILE A 112 -7.125 -2.271 6.468 1.00 70.52 C ATOM 1815 CD1 ILE A 112 -5.417 1.108 7.546 1.00 33.44 C ATOM 0 H ILE A 112 -9.559 -1.296 7.212 1.00 20.32 H new ATOM 0 HA ILE A 112 -8.120 1.085 6.783 1.00 73.21 H new ATOM 0 HB ILE A 112 -7.277 -0.851 8.072 1.00 21.33 H new ATOM 0 HG12 ILE A 112 -4.909 -0.915 7.094 1.00 14.52 H new ATOM 0 HG13 ILE A 112 -5.515 -0.003 5.726 1.00 14.52 H new ATOM 0 HG21 ILE A 112 -6.329 -2.853 6.933 1.00 70.52 H new ATOM 0 HG22 ILE A 112 -8.090 -2.718 6.709 1.00 70.52 H new ATOM 0 HG23 ILE A 112 -6.987 -2.268 5.387 1.00 70.52 H new ATOM 0 HD11 ILE A 112 -4.409 1.466 7.338 1.00 33.44 H new ATOM 0 HD12 ILE A 112 -6.141 1.858 7.227 1.00 33.44 H new ATOM 0 HD13 ILE A 112 -5.526 0.931 8.616 1.00 33.44 H new ATOM 1827 N ARG A 113 -8.731 -0.725 4.084 1.00 34.03 N ATOM 1828 CA ARG A 113 -8.753 -0.769 2.603 1.00 24.23 C ATOM 1829 C ARG A 113 -9.226 0.571 1.968 1.00 52.42 C ATOM 1830 O ARG A 113 -8.659 1.027 0.975 1.00 51.10 O ATOM 1831 CB ARG A 113 -9.666 -1.945 2.145 1.00 45.15 C ATOM 1832 CG ARG A 113 -11.106 -1.869 2.710 1.00 64.45 C ATOM 1833 CD ARG A 113 -11.986 -3.068 2.337 1.00 31.34 C ATOM 1834 NE ARG A 113 -13.253 -3.043 3.094 1.00 43.02 N ATOM 1835 CZ ARG A 113 -14.447 -3.357 2.641 1.00 65.44 C ATOM 1836 NH1 ARG A 113 -14.644 -3.715 1.406 1.00 43.53 N ATOM 1837 NH2 ARG A 113 -15.451 -3.296 3.452 1.00 74.40 N ATOM 0 H ARG A 113 -9.299 -1.455 4.513 1.00 34.03 H new ATOM 0 HA ARG A 113 -7.732 -0.927 2.256 1.00 24.23 H new ATOM 0 HB2 ARG A 113 -9.712 -1.955 1.056 1.00 45.15 H new ATOM 0 HB3 ARG A 113 -9.213 -2.887 2.454 1.00 45.15 H new ATOM 0 HG2 ARG A 113 -11.056 -1.792 3.796 1.00 64.45 H new ATOM 0 HG3 ARG A 113 -11.580 -0.957 2.348 1.00 64.45 H new ATOM 0 HD2 ARG A 113 -12.196 -3.052 1.267 1.00 31.34 H new ATOM 0 HD3 ARG A 113 -11.452 -3.995 2.544 1.00 31.34 H new ATOM 0 HE ARG A 113 -13.197 -2.752 4.070 1.00 43.02 H new ATOM 0 HH11 ARG A 113 -13.859 -3.759 0.756 1.00 43.53 H new ATOM 0 HH12 ARG A 113 -15.584 -3.952 1.087 1.00 43.53 H new ATOM 0 HH21 ARG A 113 -15.308 -3.009 4.420 1.00 74.40 H new ATOM 0 HH22 ARG A 113 -16.387 -3.535 3.124 1.00 74.40 H new ATOM 1851 N ALA A 114 -10.252 1.207 2.570 1.00 34.13 N ATOM 1852 CA ALA A 114 -10.824 2.471 2.064 1.00 24.25 C ATOM 1853 C ALA A 114 -9.918 3.679 2.409 1.00 22.54 C ATOM 1854 O ALA A 114 -9.886 4.675 1.678 1.00 14.21 O ATOM 1855 CB ALA A 114 -12.235 2.648 2.636 1.00 71.22 C ATOM 0 H ALA A 114 -10.705 0.861 3.416 1.00 34.13 H new ATOM 0 HA ALA A 114 -10.884 2.425 0.977 1.00 24.25 H new ATOM 0 HB1 ALA A 114 -12.663 3.580 2.266 1.00 71.22 H new ATOM 0 HB2 ALA A 114 -12.861 1.812 2.325 1.00 71.22 H new ATOM 0 HB3 ALA A 114 -12.185 2.678 3.724 1.00 71.22 H new ATOM 1861 N PHE A 115 -9.189 3.557 3.537 1.00 11.25 N ATOM 1862 CA PHE A 115 -8.160 4.529 3.958 1.00 24.31 C ATOM 1863 C PHE A 115 -6.982 4.539 2.947 1.00 33.24 C ATOM 1864 O PHE A 115 -6.592 5.602 2.457 1.00 73.22 O ATOM 1865 CB PHE A 115 -7.673 4.165 5.392 1.00 40.55 C ATOM 1866 CG PHE A 115 -6.421 4.914 5.874 1.00 23.31 C ATOM 1867 CD1 PHE A 115 -6.479 6.261 6.213 1.00 61.43 C ATOM 1868 CD2 PHE A 115 -5.191 4.259 5.989 1.00 34.44 C ATOM 1869 CE1 PHE A 115 -5.348 6.930 6.645 1.00 43.33 C ATOM 1870 CE2 PHE A 115 -4.067 4.927 6.423 1.00 33.13 C ATOM 1871 CZ PHE A 115 -4.146 6.262 6.750 1.00 12.31 C ATOM 0 H PHE A 115 -9.298 2.777 4.185 1.00 11.25 H new ATOM 0 HA PHE A 115 -8.585 5.533 3.976 1.00 24.31 H new ATOM 0 HB2 PHE A 115 -8.484 4.360 6.093 1.00 40.55 H new ATOM 0 HB3 PHE A 115 -7.471 3.094 5.428 1.00 40.55 H new ATOM 0 HD1 PHE A 115 -7.417 6.791 6.138 1.00 61.43 H new ATOM 0 HD2 PHE A 115 -5.121 3.212 5.733 1.00 34.44 H new ATOM 0 HE1 PHE A 115 -5.406 7.978 6.901 1.00 43.33 H new ATOM 0 HE2 PHE A 115 -3.126 4.404 6.507 1.00 33.13 H new ATOM 0 HZ PHE A 115 -3.265 6.787 7.089 1.00 12.31 H new ATOM 1881 N ILE A 116 -6.451 3.333 2.636 1.00 35.22 N ATOM 1882 CA ILE A 116 -5.331 3.136 1.679 1.00 34.24 C ATOM 1883 C ILE A 116 -5.707 3.661 0.271 1.00 22.51 C ATOM 1884 O ILE A 116 -4.921 4.373 -0.364 1.00 22.45 O ATOM 1885 CB ILE A 116 -4.927 1.609 1.587 1.00 65.42 C ATOM 1886 CG1 ILE A 116 -4.480 1.047 2.980 1.00 61.21 C ATOM 1887 CG2 ILE A 116 -3.843 1.348 0.507 1.00 21.35 C ATOM 1888 CD1 ILE A 116 -3.305 1.751 3.643 1.00 62.21 C ATOM 0 H ILE A 116 -6.789 2.461 3.044 1.00 35.22 H new ATOM 0 HA ILE A 116 -4.478 3.704 2.051 1.00 34.24 H new ATOM 0 HB ILE A 116 -5.823 1.070 1.278 1.00 65.42 H new ATOM 0 HG12 ILE A 116 -5.333 1.092 3.657 1.00 61.21 H new ATOM 0 HG13 ILE A 116 -4.225 -0.006 2.859 1.00 61.21 H new ATOM 0 HG21 ILE A 116 -3.601 0.285 0.484 1.00 21.35 H new ATOM 0 HG22 ILE A 116 -4.220 1.656 -0.468 1.00 21.35 H new ATOM 0 HG23 ILE A 116 -2.946 1.919 0.746 1.00 21.35 H new ATOM 0 HD11 ILE A 116 -3.088 1.275 4.599 1.00 62.21 H new ATOM 0 HD12 ILE A 116 -2.429 1.684 2.997 1.00 62.21 H new ATOM 0 HD13 ILE A 116 -3.555 2.799 3.808 1.00 62.21 H new ATOM 1900 N ASN A 117 -6.940 3.329 -0.163 1.00 3.23 N ATOM 1901 CA ASN A 117 -7.492 3.733 -1.478 1.00 22.21 C ATOM 1902 C ASN A 117 -7.483 5.270 -1.660 1.00 55.43 C ATOM 1903 O ASN A 117 -7.170 5.772 -2.734 1.00 51.32 O ATOM 1904 CB ASN A 117 -8.936 3.184 -1.617 1.00 63.22 C ATOM 1905 CG ASN A 117 -9.555 3.367 -3.012 1.00 1.20 C ATOM 1906 OD1 ASN A 117 -8.806 3.091 -4.063 1.00 22.40 O flip ATOM 1907 ND2 ASN A 117 -10.725 3.709 -3.143 1.00 65.33 N flip ATOM 0 H ASN A 117 -7.588 2.769 0.391 1.00 3.23 H new ATOM 0 HA ASN A 117 -6.858 3.312 -2.258 1.00 22.21 H new ATOM 0 HB2 ASN A 117 -8.933 2.122 -1.371 1.00 63.22 H new ATOM 0 HB3 ASN A 117 -9.572 3.679 -0.883 1.00 63.22 H new ATOM 0 HD21 ASN A 117 -11.290 3.919 -2.320 1.00 65.33 H new ATOM 0 HD22 ASN A 117 -11.133 3.784 -4.075 1.00 65.33 H new ATOM 1914 N ALA A 118 -7.810 6.002 -0.580 1.00 21.31 N ATOM 1915 CA ALA A 118 -7.825 7.480 -0.575 1.00 74.54 C ATOM 1916 C ALA A 118 -6.404 8.085 -0.774 1.00 4.52 C ATOM 1917 O ALA A 118 -6.253 9.128 -1.416 1.00 40.01 O ATOM 1918 CB ALA A 118 -8.461 7.982 0.733 1.00 41.34 C ATOM 0 H ALA A 118 -8.072 5.588 0.315 1.00 21.31 H new ATOM 0 HA ALA A 118 -8.424 7.816 -1.421 1.00 74.54 H new ATOM 0 HB1 ALA A 118 -8.472 9.072 0.737 1.00 41.34 H new ATOM 0 HB2 ALA A 118 -9.482 7.608 0.808 1.00 41.34 H new ATOM 0 HB3 ALA A 118 -7.880 7.622 1.582 1.00 41.34 H new ATOM 1924 N LEU A 119 -5.367 7.406 -0.239 1.00 12.43 N ATOM 1925 CA LEU A 119 -3.957 7.887 -0.303 1.00 74.52 C ATOM 1926 C LEU A 119 -3.330 7.581 -1.686 1.00 41.11 C ATOM 1927 O LEU A 119 -2.588 8.397 -2.236 1.00 34.51 O ATOM 1928 CB LEU A 119 -3.112 7.236 0.838 1.00 51.40 C ATOM 1929 CG LEU A 119 -3.810 7.153 2.225 1.00 71.52 C ATOM 1930 CD1 LEU A 119 -2.956 6.375 3.240 1.00 65.05 C ATOM 1931 CD2 LEU A 119 -4.203 8.555 2.738 1.00 54.31 C ATOM 0 H LEU A 119 -5.474 6.516 0.247 1.00 12.43 H new ATOM 0 HA LEU A 119 -3.957 8.968 -0.165 1.00 74.52 H new ATOM 0 HB2 LEU A 119 -2.834 6.228 0.530 1.00 51.40 H new ATOM 0 HB3 LEU A 119 -2.187 7.802 0.950 1.00 51.40 H new ATOM 0 HG LEU A 119 -4.735 6.591 2.101 1.00 71.52 H new ATOM 0 HD11 LEU A 119 -3.474 6.337 4.198 1.00 65.05 H new ATOM 0 HD12 LEU A 119 -2.792 5.361 2.876 1.00 65.05 H new ATOM 0 HD13 LEU A 119 -1.996 6.875 3.367 1.00 65.05 H new ATOM 0 HD21 LEU A 119 -4.689 8.464 3.709 1.00 54.31 H new ATOM 0 HD22 LEU A 119 -3.309 9.171 2.836 1.00 54.31 H new ATOM 0 HD23 LEU A 119 -4.889 9.022 2.031 1.00 54.31 H new ATOM 1943 N VAL A 120 -3.652 6.391 -2.234 1.00 51.21 N ATOM 1944 CA VAL A 120 -3.189 5.955 -3.573 1.00 10.11 C ATOM 1945 C VAL A 120 -3.905 6.755 -4.705 1.00 52.03 C ATOM 1946 O VAL A 120 -3.307 7.074 -5.744 1.00 4.21 O ATOM 1947 CB VAL A 120 -3.401 4.400 -3.755 1.00 2.33 C ATOM 1948 CG1 VAL A 120 -2.947 3.902 -5.151 1.00 43.13 C ATOM 1949 CG2 VAL A 120 -2.679 3.605 -2.635 1.00 62.00 C ATOM 0 H VAL A 120 -4.240 5.704 -1.763 1.00 51.21 H new ATOM 0 HA VAL A 120 -2.122 6.164 -3.647 1.00 10.11 H new ATOM 0 HB VAL A 120 -4.473 4.219 -3.679 1.00 2.33 H new ATOM 0 HG11 VAL A 120 -3.113 2.827 -5.226 1.00 43.13 H new ATOM 0 HG12 VAL A 120 -3.521 4.413 -5.924 1.00 43.13 H new ATOM 0 HG13 VAL A 120 -1.887 4.115 -5.286 1.00 43.13 H new ATOM 0 HG21 VAL A 120 -2.841 2.537 -2.784 1.00 62.00 H new ATOM 0 HG22 VAL A 120 -1.611 3.818 -2.669 1.00 62.00 H new ATOM 0 HG23 VAL A 120 -3.077 3.900 -1.664 1.00 62.00 H new ATOM 1959 N ASN A 121 -5.181 7.107 -4.470 1.00 53.02 N ATOM 1960 CA ASN A 121 -6.002 7.893 -5.428 1.00 15.40 C ATOM 1961 C ASN A 121 -6.073 9.399 -5.050 1.00 51.53 C ATOM 1962 O ASN A 121 -6.989 10.110 -5.473 1.00 63.24 O ATOM 1963 CB ASN A 121 -7.410 7.260 -5.545 1.00 71.22 C ATOM 1964 CG ASN A 121 -7.387 5.904 -6.254 1.00 74.12 C ATOM 1965 OD1 ASN A 121 -7.608 5.814 -7.458 1.00 13.32 O ATOM 1966 ND2 ASN A 121 -7.075 4.847 -5.534 1.00 4.42 N ATOM 0 H ASN A 121 -5.678 6.859 -3.615 1.00 53.02 H new ATOM 0 HA ASN A 121 -5.518 7.855 -6.404 1.00 15.40 H new ATOM 0 HB2 ASN A 121 -7.834 7.138 -4.548 1.00 71.22 H new ATOM 0 HB3 ASN A 121 -8.066 7.940 -6.089 1.00 71.22 H new ATOM 0 HD21 ASN A 121 -7.013 3.930 -5.975 1.00 4.42 H new ATOM 0 HD22 ASN A 121 -6.895 4.945 -4.535 1.00 4.42 H new ATOM 1973 N SER A 122 -5.081 9.882 -4.278 1.00 32.51 N ATOM 1974 CA SER A 122 -4.907 11.325 -3.991 1.00 53.14 C ATOM 1975 C SER A 122 -4.143 12.027 -5.144 1.00 65.31 C ATOM 1976 O SER A 122 -3.140 11.490 -5.631 1.00 23.30 O ATOM 1977 CB SER A 122 -4.136 11.494 -2.660 1.00 55.22 C ATOM 1978 OG SER A 122 -3.771 12.843 -2.414 1.00 1.30 O ATOM 0 H SER A 122 -4.379 9.289 -3.836 1.00 32.51 H new ATOM 0 HA SER A 122 -5.890 11.789 -3.904 1.00 53.14 H new ATOM 0 HB2 SER A 122 -4.753 11.131 -1.838 1.00 55.22 H new ATOM 0 HB3 SER A 122 -3.239 10.876 -2.682 1.00 55.22 H new ATOM 0 HG SER A 122 -3.288 12.901 -1.563 1.00 1.30 H new ATOM 1984 N GLN A 123 -4.668 13.194 -5.606 1.00 2.45 N ATOM 1985 CA GLN A 123 -3.948 14.091 -6.565 1.00 11.51 C ATOM 1986 C GLN A 123 -2.450 14.317 -6.227 1.00 71.34 C ATOM 1987 O GLN A 123 -1.629 14.408 -7.139 1.00 33.55 O ATOM 1988 CB GLN A 123 -4.628 15.483 -6.681 1.00 42.31 C ATOM 1989 CG GLN A 123 -5.978 15.522 -7.427 1.00 34.52 C ATOM 1990 CD GLN A 123 -6.440 16.949 -7.769 1.00 34.34 C ATOM 1991 OE1 GLN A 123 -5.501 17.846 -8.049 1.00 2.35 O flip ATOM 1992 NE2 GLN A 123 -7.633 17.234 -7.822 1.00 21.11 N flip ATOM 0 H GLN A 123 -5.588 13.540 -5.332 1.00 2.45 H new ATOM 0 HA GLN A 123 -4.004 13.556 -7.513 1.00 11.51 H new ATOM 0 HB2 GLN A 123 -4.781 15.874 -5.675 1.00 42.31 H new ATOM 0 HB3 GLN A 123 -3.938 16.160 -7.185 1.00 42.31 H new ATOM 0 HG2 GLN A 123 -5.894 14.944 -8.347 1.00 34.52 H new ATOM 0 HG3 GLN A 123 -6.738 15.038 -6.814 1.00 34.52 H new ATOM 0 HE21 GLN A 123 -8.336 16.528 -7.603 1.00 21.11 H new ATOM 0 HE22 GLN A 123 -7.921 18.176 -8.085 1.00 21.11 H new ATOM 2001 N GLU A 124 -2.097 14.427 -4.932 1.00 41.00 N ATOM 2002 CA GLU A 124 -0.680 14.573 -4.523 1.00 43.45 C ATOM 2003 C GLU A 124 0.171 13.348 -4.979 1.00 0.22 C ATOM 2004 O GLU A 124 1.291 13.502 -5.479 1.00 52.40 O ATOM 2005 CB GLU A 124 -0.549 14.776 -2.990 1.00 34.42 C ATOM 2006 CG GLU A 124 0.895 15.071 -2.524 1.00 70.12 C ATOM 2007 CD GLU A 124 1.042 15.191 -1.000 1.00 52.34 C ATOM 2008 OE1 GLU A 124 0.897 16.313 -0.462 1.00 72.41 O ATOM 2009 OE2 GLU A 124 1.303 14.165 -0.338 1.00 13.41 O ATOM 0 H GLU A 124 -2.761 14.418 -4.158 1.00 41.00 H new ATOM 0 HA GLU A 124 -0.294 15.464 -5.019 1.00 43.45 H new ATOM 0 HB2 GLU A 124 -1.195 15.599 -2.685 1.00 34.42 H new ATOM 0 HB3 GLU A 124 -0.910 13.882 -2.482 1.00 34.42 H new ATOM 0 HG2 GLU A 124 1.551 14.278 -2.882 1.00 70.12 H new ATOM 0 HG3 GLU A 124 1.234 15.998 -2.986 1.00 70.12 H new ATOM 2016 N TYR A 125 -0.409 12.137 -4.839 1.00 74.34 N ATOM 2017 CA TYR A 125 0.291 10.871 -5.140 1.00 73.53 C ATOM 2018 C TYR A 125 0.447 10.645 -6.670 1.00 64.43 C ATOM 2019 O TYR A 125 1.561 10.468 -7.152 1.00 45.35 O ATOM 2020 CB TYR A 125 -0.459 9.672 -4.481 1.00 63.32 C ATOM 2021 CG TYR A 125 0.345 8.348 -4.423 1.00 3.43 C ATOM 2022 CD1 TYR A 125 1.599 8.299 -3.811 1.00 64.20 C ATOM 2023 CD2 TYR A 125 -0.158 7.154 -4.944 1.00 0.14 C ATOM 2024 CE1 TYR A 125 2.315 7.117 -3.726 1.00 63.25 C ATOM 2025 CE2 TYR A 125 0.557 5.972 -4.859 1.00 22.43 C ATOM 2026 CZ TYR A 125 1.790 5.957 -4.250 1.00 51.42 C ATOM 2027 OH TYR A 125 2.508 4.780 -4.166 1.00 65.23 O ATOM 0 H TYR A 125 -1.368 12.010 -4.517 1.00 74.34 H new ATOM 0 HA TYR A 125 1.294 10.938 -4.719 1.00 73.53 H new ATOM 0 HB2 TYR A 125 -0.741 9.953 -3.466 1.00 63.32 H new ATOM 0 HB3 TYR A 125 -1.383 9.494 -5.031 1.00 63.32 H new ATOM 0 HD1 TYR A 125 2.020 9.203 -3.395 1.00 64.20 H new ATOM 0 HD2 TYR A 125 -1.126 7.153 -5.424 1.00 0.14 H new ATOM 0 HE1 TYR A 125 3.284 7.105 -3.249 1.00 63.25 H new ATOM 0 HE2 TYR A 125 0.147 5.062 -5.271 1.00 22.43 H new ATOM 0 HH TYR A 125 2.860 4.547 -5.051 1.00 65.23 H new ATOM 2037 N ASN A 126 -0.664 10.698 -7.435 1.00 25.04 N ATOM 2038 CA ASN A 126 -0.658 10.326 -8.882 1.00 43.01 C ATOM 2039 C ASN A 126 0.117 11.347 -9.772 1.00 64.22 C ATOM 2040 O ASN A 126 0.645 10.976 -10.828 1.00 31.03 O ATOM 2041 CB ASN A 126 -2.110 10.115 -9.400 1.00 63.44 C ATOM 2042 CG ASN A 126 -2.962 11.383 -9.490 1.00 55.30 C ATOM 2043 OD1 ASN A 126 -2.734 12.350 -8.796 1.00 44.22 O ATOM 2044 ND2 ASN A 126 -3.971 11.374 -10.342 1.00 52.20 N ATOM 0 H ASN A 126 -1.576 10.992 -7.085 1.00 25.04 H new ATOM 0 HA ASN A 126 -0.117 9.383 -8.962 1.00 43.01 H new ATOM 0 HB2 ASN A 126 -2.063 9.658 -10.388 1.00 63.44 H new ATOM 0 HB3 ASN A 126 -2.613 9.405 -8.744 1.00 63.44 H new ATOM 0 HD21 ASN A 126 -4.576 12.191 -10.425 1.00 52.20 H new ATOM 0 HD22 ASN A 126 -4.146 10.550 -10.917 1.00 52.20 H new ATOM 2051 N GLU A 127 0.177 12.627 -9.341 1.00 62.04 N ATOM 2052 CA GLU A 127 0.945 13.682 -10.053 1.00 60.32 C ATOM 2053 C GLU A 127 2.479 13.534 -9.843 1.00 74.43 C ATOM 2054 O GLU A 127 3.245 13.571 -10.812 1.00 3.32 O ATOM 2055 CB GLU A 127 0.472 15.103 -9.622 1.00 21.50 C ATOM 2056 CG GLU A 127 -0.959 15.470 -10.081 1.00 53.14 C ATOM 2057 CD GLU A 127 -1.402 16.882 -9.646 1.00 24.33 C ATOM 2058 OE1 GLU A 127 -0.772 17.869 -10.097 1.00 63.51 O ATOM 2059 OE2 GLU A 127 -2.388 17.020 -8.877 1.00 14.22 O ATOM 0 H GLU A 127 -0.298 12.958 -8.501 1.00 62.04 H new ATOM 0 HA GLU A 127 0.747 13.554 -11.117 1.00 60.32 H new ATOM 0 HB2 GLU A 127 0.521 15.174 -8.535 1.00 21.50 H new ATOM 0 HB3 GLU A 127 1.168 15.840 -10.021 1.00 21.50 H new ATOM 0 HG2 GLU A 127 -1.013 15.400 -11.167 1.00 53.14 H new ATOM 0 HG3 GLU A 127 -1.660 14.738 -9.679 1.00 53.14 H new ATOM 2066 N VAL A 128 2.920 13.334 -8.584 1.00 62.33 N ATOM 2067 CA VAL A 128 4.370 13.288 -8.230 1.00 4.41 C ATOM 2068 C VAL A 128 4.976 11.890 -8.520 1.00 2.42 C ATOM 2069 O VAL A 128 6.015 11.763 -9.182 1.00 61.54 O ATOM 2070 CB VAL A 128 4.595 13.665 -6.713 1.00 62.24 C ATOM 2071 CG1 VAL A 128 6.091 13.560 -6.290 1.00 53.23 C ATOM 2072 CG2 VAL A 128 4.026 15.077 -6.410 1.00 13.31 C ATOM 0 H VAL A 128 2.297 13.200 -7.787 1.00 62.33 H new ATOM 0 HA VAL A 128 4.879 14.023 -8.854 1.00 4.41 H new ATOM 0 HB VAL A 128 4.049 12.935 -6.115 1.00 62.24 H new ATOM 0 HG11 VAL A 128 6.192 13.829 -5.239 1.00 53.23 H new ATOM 0 HG12 VAL A 128 6.440 12.538 -6.438 1.00 53.23 H new ATOM 0 HG13 VAL A 128 6.689 14.239 -6.897 1.00 53.23 H new ATOM 0 HG21 VAL A 128 4.191 15.318 -5.360 1.00 13.31 H new ATOM 0 HG22 VAL A 128 4.530 15.814 -7.035 1.00 13.31 H new ATOM 0 HG23 VAL A 128 2.957 15.092 -6.622 1.00 13.31 H new ATOM 2082 N PHE A 129 4.312 10.856 -7.993 1.00 71.35 N ATOM 2083 CA PHE A 129 4.722 9.445 -8.145 1.00 54.25 C ATOM 2084 C PHE A 129 4.353 8.902 -9.559 1.00 5.22 C ATOM 2085 O PHE A 129 5.241 8.626 -10.372 1.00 65.33 O ATOM 2086 CB PHE A 129 4.064 8.621 -7.000 1.00 24.50 C ATOM 2087 CG PHE A 129 4.179 7.107 -7.125 1.00 62.45 C ATOM 2088 CD1 PHE A 129 5.351 6.448 -6.797 1.00 3.10 C ATOM 2089 CD2 PHE A 129 3.103 6.344 -7.574 1.00 21.54 C ATOM 2090 CE1 PHE A 129 5.438 5.084 -6.919 1.00 72.51 C ATOM 2091 CE2 PHE A 129 3.204 4.983 -7.691 1.00 4.13 C ATOM 2092 CZ PHE A 129 4.365 4.356 -7.364 1.00 31.51 C ATOM 0 H PHE A 129 3.462 10.971 -7.440 1.00 71.35 H new ATOM 0 HA PHE A 129 5.805 9.355 -8.066 1.00 54.25 H new ATOM 0 HB2 PHE A 129 4.514 8.924 -6.054 1.00 24.50 H new ATOM 0 HB3 PHE A 129 3.007 8.884 -6.949 1.00 24.50 H new ATOM 0 HD1 PHE A 129 6.202 7.011 -6.443 1.00 3.10 H new ATOM 0 HD2 PHE A 129 2.176 6.833 -7.834 1.00 21.54 H new ATOM 0 HE1 PHE A 129 6.358 4.580 -6.663 1.00 72.51 H new ATOM 0 HE2 PHE A 129 2.361 4.408 -8.043 1.00 4.13 H new ATOM 0 HZ PHE A 129 4.442 3.283 -7.455 1.00 31.51 H new ATOM 2102 N GLY A 130 3.039 8.765 -9.849 1.00 0.32 N ATOM 2103 CA GLY A 130 2.565 8.261 -11.161 1.00 11.33 C ATOM 2104 C GLY A 130 1.987 6.840 -11.130 1.00 15.31 C ATOM 2105 O GLY A 130 1.372 6.441 -10.145 1.00 23.31 O ATOM 0 H GLY A 130 2.290 8.995 -9.196 1.00 0.32 H new ATOM 0 HA2 GLY A 130 1.803 8.941 -11.542 1.00 11.33 H new ATOM 0 HA3 GLY A 130 3.396 8.286 -11.866 1.00 11.33 H new ATOM 2109 N GLU A 131 2.155 6.093 -12.243 1.00 30.21 N ATOM 2110 CA GLU A 131 1.669 4.690 -12.383 1.00 60.21 C ATOM 2111 C GLU A 131 2.843 3.684 -12.533 1.00 52.31 C ATOM 2112 O GLU A 131 2.698 2.495 -12.235 1.00 54.43 O ATOM 2113 CB GLU A 131 0.761 4.560 -13.646 1.00 12.32 C ATOM 2114 CG GLU A 131 -0.466 5.499 -13.708 1.00 42.44 C ATOM 2115 CD GLU A 131 -1.414 5.386 -12.496 1.00 70.32 C ATOM 2116 OE1 GLU A 131 -1.915 4.268 -12.217 1.00 15.45 O ATOM 2117 OE2 GLU A 131 -1.668 6.415 -11.818 1.00 53.40 O ATOM 0 H GLU A 131 2.632 6.441 -13.075 1.00 30.21 H new ATOM 0 HA GLU A 131 1.111 4.456 -11.477 1.00 60.21 H new ATOM 0 HB2 GLU A 131 1.375 4.741 -14.528 1.00 12.32 H new ATOM 0 HB3 GLU A 131 0.408 3.531 -13.709 1.00 12.32 H new ATOM 0 HG2 GLU A 131 -0.117 6.529 -13.787 1.00 42.44 H new ATOM 0 HG3 GLU A 131 -1.029 5.283 -14.616 1.00 42.44 H new ATOM 2124 N ASP A 132 3.991 4.193 -13.003 1.00 64.31 N ATOM 2125 CA ASP A 132 5.064 3.388 -13.647 1.00 43.45 C ATOM 2126 C ASP A 132 6.193 2.969 -12.676 1.00 64.32 C ATOM 2127 O ASP A 132 6.806 1.909 -12.836 1.00 5.41 O ATOM 2128 CB ASP A 132 5.681 4.238 -14.794 1.00 13.30 C ATOM 2129 CG ASP A 132 4.620 4.924 -15.677 1.00 64.11 C ATOM 2130 OD1 ASP A 132 4.122 6.010 -15.279 1.00 3.54 O ATOM 2131 OD2 ASP A 132 4.262 4.380 -16.745 1.00 0.34 O ATOM 0 H ASP A 132 4.213 5.187 -12.951 1.00 64.31 H new ATOM 0 HA ASP A 132 4.607 2.468 -14.011 1.00 43.45 H new ATOM 0 HB2 ASP A 132 6.334 4.998 -14.364 1.00 13.30 H new ATOM 0 HB3 ASP A 132 6.305 3.598 -15.417 1.00 13.30 H new ATOM 2136 N THR A 133 6.474 3.824 -11.692 1.00 33.55 N ATOM 2137 CA THR A 133 7.703 3.741 -10.861 1.00 11.12 C ATOM 2138 C THR A 133 7.473 3.049 -9.494 1.00 70.33 C ATOM 2139 O THR A 133 6.341 2.823 -9.081 1.00 31.54 O ATOM 2140 CB THR A 133 8.295 5.181 -10.641 1.00 13.44 C ATOM 2141 OG1 THR A 133 9.495 5.132 -9.858 1.00 4.15 O ATOM 2142 CG2 THR A 133 7.298 6.132 -9.963 1.00 53.54 C ATOM 0 H THR A 133 5.862 4.600 -11.438 1.00 33.55 H new ATOM 0 HA THR A 133 8.412 3.120 -11.409 1.00 11.12 H new ATOM 0 HB THR A 133 8.516 5.569 -11.635 1.00 13.44 H new ATOM 0 HG1 THR A 133 10.033 4.360 -10.132 1.00 4.15 H new ATOM 0 HG21 THR A 133 7.759 7.112 -9.836 1.00 53.54 H new ATOM 0 HG22 THR A 133 6.407 6.228 -10.584 1.00 53.54 H new ATOM 0 HG23 THR A 133 7.020 5.732 -8.988 1.00 53.54 H new ATOM 2150 N VAL A 134 8.584 2.684 -8.832 1.00 1.20 N ATOM 2151 CA VAL A 134 8.612 2.301 -7.399 1.00 53.12 C ATOM 2152 C VAL A 134 8.696 3.589 -6.540 1.00 55.01 C ATOM 2153 O VAL A 134 9.352 4.542 -6.970 1.00 30.10 O ATOM 2154 CB VAL A 134 9.844 1.344 -7.133 1.00 34.12 C ATOM 2155 CG1 VAL A 134 10.283 1.286 -5.645 1.00 74.03 C ATOM 2156 CG2 VAL A 134 9.535 -0.075 -7.669 1.00 11.45 C ATOM 0 H VAL A 134 9.501 2.644 -9.277 1.00 1.20 H new ATOM 0 HA VAL A 134 7.705 1.761 -7.127 1.00 53.12 H new ATOM 0 HB VAL A 134 10.690 1.769 -7.673 1.00 34.12 H new ATOM 0 HG11 VAL A 134 11.132 0.610 -5.542 1.00 74.03 H new ATOM 0 HG12 VAL A 134 10.570 2.283 -5.311 1.00 74.03 H new ATOM 0 HG13 VAL A 134 9.455 0.924 -5.035 1.00 74.03 H new ATOM 0 HG21 VAL A 134 10.388 -0.728 -7.482 1.00 11.45 H new ATOM 0 HG22 VAL A 134 8.656 -0.472 -7.162 1.00 11.45 H new ATOM 0 HG23 VAL A 134 9.344 -0.025 -8.741 1.00 11.45 H new ATOM 2166 N PRO A 135 7.998 3.663 -5.343 1.00 14.14 N ATOM 2167 CA PRO A 135 7.981 4.885 -4.490 1.00 35.45 C ATOM 2168 C PRO A 135 9.382 5.284 -3.962 1.00 23.42 C ATOM 2169 O PRO A 135 9.804 4.911 -2.857 1.00 41.14 O ATOM 2170 CB PRO A 135 6.975 4.537 -3.351 1.00 54.50 C ATOM 2171 CG PRO A 135 6.943 3.037 -3.324 1.00 12.22 C ATOM 2172 CD PRO A 135 7.158 2.584 -4.750 1.00 43.45 C ATOM 0 HA PRO A 135 7.677 5.769 -5.051 1.00 35.45 H new ATOM 0 HB2 PRO A 135 7.302 4.944 -2.394 1.00 54.50 H new ATOM 0 HB3 PRO A 135 5.987 4.952 -3.553 1.00 54.50 H new ATOM 0 HG2 PRO A 135 7.720 2.643 -2.669 1.00 12.22 H new ATOM 0 HG3 PRO A 135 5.989 2.675 -2.940 1.00 12.22 H new ATOM 0 HD2 PRO A 135 7.660 1.618 -4.791 1.00 43.45 H new ATOM 0 HD3 PRO A 135 6.213 2.475 -5.282 1.00 43.45 H new ATOM 2180 N TYR A 136 10.106 6.007 -4.826 1.00 13.22 N ATOM 2181 CA TYR A 136 11.363 6.672 -4.494 1.00 70.20 C ATOM 2182 C TYR A 136 11.068 7.829 -3.523 1.00 41.32 C ATOM 2183 O TYR A 136 10.082 8.568 -3.709 1.00 70.23 O ATOM 2184 CB TYR A 136 12.054 7.192 -5.799 1.00 1.33 C ATOM 2185 CG TYR A 136 11.221 8.209 -6.630 1.00 1.52 C ATOM 2186 CD1 TYR A 136 10.206 7.780 -7.500 1.00 3.33 C ATOM 2187 CD2 TYR A 136 11.442 9.594 -6.531 1.00 55.44 C ATOM 2188 CE1 TYR A 136 9.451 8.682 -8.225 1.00 54.21 C ATOM 2189 CE2 TYR A 136 10.687 10.496 -7.260 1.00 52.51 C ATOM 2190 CZ TYR A 136 9.694 10.034 -8.103 1.00 52.41 C ATOM 2191 OH TYR A 136 8.936 10.933 -8.823 1.00 13.34 O ATOM 0 H TYR A 136 9.824 6.146 -5.796 1.00 13.22 H new ATOM 0 HA TYR A 136 12.045 5.970 -4.014 1.00 70.20 H new ATOM 0 HB2 TYR A 136 13.001 7.658 -5.528 1.00 1.33 H new ATOM 0 HB3 TYR A 136 12.289 6.336 -6.432 1.00 1.33 H new ATOM 0 HD1 TYR A 136 10.011 6.723 -7.605 1.00 3.33 H new ATOM 0 HD2 TYR A 136 12.216 9.961 -5.873 1.00 55.44 H new ATOM 0 HE1 TYR A 136 8.673 8.329 -8.885 1.00 54.21 H new ATOM 0 HE2 TYR A 136 10.873 11.556 -7.171 1.00 52.51 H new ATOM 0 HH TYR A 136 7.989 10.811 -8.604 1.00 13.34 H new ATOM 2201 N ARG A 137 11.885 7.971 -2.476 1.00 40.13 N ATOM 2202 CA ARG A 137 11.736 9.089 -1.540 1.00 52.43 C ATOM 2203 C ARG A 137 12.192 10.388 -2.253 1.00 63.42 C ATOM 2204 O ARG A 137 13.333 10.468 -2.714 1.00 32.24 O ATOM 2205 CB ARG A 137 12.532 8.824 -0.230 1.00 14.12 C ATOM 2206 CG ARG A 137 12.062 9.688 0.964 1.00 45.40 C ATOM 2207 CD ARG A 137 12.832 9.403 2.266 1.00 73.22 C ATOM 2208 NE ARG A 137 12.252 10.141 3.399 1.00 21.20 N ATOM 2209 CZ ARG A 137 12.490 9.913 4.675 1.00 42.33 C ATOM 2210 NH1 ARG A 137 13.343 9.016 5.060 1.00 44.01 N ATOM 2211 NH2 ARG A 137 11.862 10.608 5.564 1.00 3.35 N ATOM 0 H ARG A 137 12.650 7.333 -2.256 1.00 40.13 H new ATOM 0 HA ARG A 137 10.692 9.199 -1.245 1.00 52.43 H new ATOM 0 HB2 ARG A 137 12.439 7.771 0.035 1.00 14.12 H new ATOM 0 HB3 ARG A 137 13.590 9.015 -0.412 1.00 14.12 H new ATOM 0 HG2 ARG A 137 12.175 10.741 0.707 1.00 45.40 H new ATOM 0 HG3 ARG A 137 11.000 9.513 1.133 1.00 45.40 H new ATOM 0 HD2 ARG A 137 12.812 8.334 2.477 1.00 73.22 H new ATOM 0 HD3 ARG A 137 13.878 9.684 2.142 1.00 73.22 H new ATOM 0 HE ARG A 137 11.606 10.899 3.176 1.00 21.20 H new ATOM 0 HH11 ARG A 137 13.851 8.465 4.368 1.00 44.01 H new ATOM 0 HH12 ARG A 137 13.507 8.862 6.055 1.00 44.01 H new ATOM 0 HH21 ARG A 137 11.193 11.321 5.274 1.00 3.35 H new ATOM 0 HH22 ARG A 137 12.035 10.444 6.556 1.00 3.35 H new ATOM 2225 N ARG A 138 11.261 11.367 -2.366 1.00 33.22 N ATOM 2226 CA ARG A 138 11.443 12.636 -3.138 1.00 14.33 C ATOM 2227 C ARG A 138 12.742 13.399 -2.739 1.00 15.01 C ATOM 2228 O ARG A 138 13.336 14.117 -3.546 1.00 10.23 O ATOM 2229 CB ARG A 138 10.176 13.523 -2.941 1.00 3.33 C ATOM 2230 CG ARG A 138 10.082 14.776 -3.843 1.00 21.51 C ATOM 2231 CD ARG A 138 10.068 14.448 -5.354 1.00 12.31 C ATOM 2232 NE ARG A 138 9.912 15.666 -6.181 1.00 12.04 N ATOM 2233 CZ ARG A 138 10.343 15.817 -7.424 1.00 75.33 C ATOM 2234 NH1 ARG A 138 10.987 14.867 -8.041 1.00 75.14 N ATOM 2235 NH2 ARG A 138 10.123 16.930 -8.049 1.00 42.34 N ATOM 0 H ARG A 138 10.346 11.303 -1.919 1.00 33.22 H new ATOM 0 HA ARG A 138 11.561 12.389 -4.193 1.00 14.33 H new ATOM 0 HB2 ARG A 138 9.294 12.907 -3.115 1.00 3.33 H new ATOM 0 HB3 ARG A 138 10.140 13.845 -1.900 1.00 3.33 H new ATOM 0 HG2 ARG A 138 9.177 15.329 -3.591 1.00 21.51 H new ATOM 0 HG3 ARG A 138 10.926 15.432 -3.629 1.00 21.51 H new ATOM 0 HD2 ARG A 138 10.995 13.942 -5.624 1.00 12.31 H new ATOM 0 HD3 ARG A 138 9.253 13.757 -5.568 1.00 12.31 H new ATOM 0 HE ARG A 138 9.430 16.458 -5.756 1.00 12.04 H new ATOM 0 HH11 ARG A 138 11.169 13.983 -7.566 1.00 75.14 H new ATOM 0 HH12 ARG A 138 11.309 15.008 -8.999 1.00 75.14 H new ATOM 0 HH21 ARG A 138 9.620 17.685 -7.584 1.00 42.34 H new ATOM 0 HH22 ARG A 138 10.453 17.051 -9.007 1.00 42.34 H new ATOM 2249 N PHE A 139 13.149 13.217 -1.479 1.00 15.22 N ATOM 2250 CA PHE A 139 14.476 13.606 -0.957 1.00 22.01 C ATOM 2251 C PHE A 139 15.196 12.328 -0.433 1.00 51.32 C ATOM 2252 O PHE A 139 14.527 11.457 0.120 1.00 23.21 O ATOM 2253 CB PHE A 139 14.317 14.676 0.163 1.00 14.32 C ATOM 2254 CG PHE A 139 13.409 14.269 1.333 1.00 40.33 C ATOM 2255 CD1 PHE A 139 12.019 14.351 1.220 1.00 53.12 C ATOM 2256 CD2 PHE A 139 13.944 13.811 2.536 1.00 73.44 C ATOM 2257 CE1 PHE A 139 11.202 13.988 2.267 1.00 73.20 C ATOM 2258 CE2 PHE A 139 13.126 13.449 3.584 1.00 61.01 C ATOM 2259 CZ PHE A 139 11.755 13.537 3.451 1.00 1.41 C ATOM 0 H PHE A 139 12.555 12.785 -0.771 1.00 15.22 H new ATOM 0 HA PHE A 139 15.081 14.052 -1.747 1.00 22.01 H new ATOM 0 HB2 PHE A 139 15.305 14.916 0.557 1.00 14.32 H new ATOM 0 HB3 PHE A 139 13.921 15.589 -0.282 1.00 14.32 H new ATOM 0 HD1 PHE A 139 11.579 14.704 0.299 1.00 53.12 H new ATOM 0 HD2 PHE A 139 15.016 13.739 2.648 1.00 73.44 H new ATOM 0 HE1 PHE A 139 10.129 14.056 2.163 1.00 73.20 H new ATOM 0 HE2 PHE A 139 13.557 13.097 4.509 1.00 61.01 H new ATOM 0 HZ PHE A 139 11.114 13.253 4.272 1.00 1.41 H new ATOM 2269 N PRO A 140 16.556 12.176 -0.580 1.00 24.21 N ATOM 2270 CA PRO A 140 17.286 10.939 -0.125 1.00 22.12 C ATOM 2271 C PRO A 140 17.564 10.907 1.409 1.00 31.10 C ATOM 2272 O PRO A 140 18.623 10.435 1.854 1.00 60.44 O ATOM 2273 CB PRO A 140 18.596 11.024 -0.946 1.00 12.21 C ATOM 2274 CG PRO A 140 18.858 12.501 -1.057 1.00 72.21 C ATOM 2275 CD PRO A 140 17.491 13.159 -1.201 1.00 11.44 C ATOM 0 HA PRO A 140 16.711 10.027 -0.286 1.00 22.12 H new ATOM 0 HB2 PRO A 140 19.416 10.509 -0.445 1.00 12.21 H new ATOM 0 HB3 PRO A 140 18.483 10.563 -1.927 1.00 12.21 H new ATOM 0 HG2 PRO A 140 19.379 12.872 -0.175 1.00 72.21 H new ATOM 0 HG3 PRO A 140 19.490 12.722 -1.917 1.00 72.21 H new ATOM 0 HD2 PRO A 140 17.455 14.122 -0.692 1.00 11.44 H new ATOM 0 HD3 PRO A 140 17.243 13.342 -2.247 1.00 11.44 H new ATOM 2283 N THR A 141 16.573 11.399 2.201 1.00 1.00 N ATOM 2284 CA THR A 141 16.633 11.520 3.684 1.00 13.53 C ATOM 2285 C THR A 141 17.756 12.502 4.155 1.00 54.01 C ATOM 2286 O THR A 141 18.043 12.620 5.353 1.00 32.12 O ATOM 2287 CB THR A 141 16.794 10.111 4.373 1.00 53.04 C ATOM 2288 OG1 THR A 141 15.928 9.154 3.738 1.00 63.31 O ATOM 2289 CG2 THR A 141 16.458 10.142 5.873 1.00 43.23 C ATOM 0 H THR A 141 15.688 11.731 1.816 1.00 1.00 H new ATOM 0 HA THR A 141 15.680 11.944 3.999 1.00 13.53 H new ATOM 0 HB THR A 141 17.841 9.829 4.263 1.00 53.04 H new ATOM 0 HG1 THR A 141 16.034 8.280 4.169 1.00 63.31 H new ATOM 0 HG21 THR A 141 16.586 9.145 6.295 1.00 43.23 H new ATOM 0 HG22 THR A 141 17.124 10.840 6.381 1.00 43.23 H new ATOM 0 HG23 THR A 141 15.425 10.463 6.008 1.00 43.23 H new ATOM 2297 N LEU A 142 18.352 13.248 3.190 1.00 72.25 N ATOM 2298 CA LEU A 142 19.553 14.097 3.409 1.00 62.44 C ATOM 2299 C LEU A 142 20.750 13.274 3.989 1.00 22.10 C ATOM 2300 O LEU A 142 21.643 13.822 4.648 1.00 44.01 O ATOM 2301 CB LEU A 142 19.213 15.351 4.290 1.00 24.52 C ATOM 2302 CG LEU A 142 18.158 16.361 3.691 1.00 30.21 C ATOM 2303 CD1 LEU A 142 16.695 15.882 3.856 1.00 2.03 C ATOM 2304 CD2 LEU A 142 18.339 17.789 4.268 1.00 51.32 C ATOM 0 H LEU A 142 18.010 13.278 2.230 1.00 72.25 H new ATOM 0 HA LEU A 142 19.874 14.467 2.435 1.00 62.44 H new ATOM 0 HB2 LEU A 142 18.843 15.002 5.254 1.00 24.52 H new ATOM 0 HB3 LEU A 142 20.138 15.896 4.481 1.00 24.52 H new ATOM 0 HG LEU A 142 18.358 16.396 2.620 1.00 30.21 H new ATOM 0 HD11 LEU A 142 16.019 16.620 3.424 1.00 2.03 H new ATOM 0 HD12 LEU A 142 16.565 14.928 3.345 1.00 2.03 H new ATOM 0 HD13 LEU A 142 16.469 15.760 4.915 1.00 2.03 H new ATOM 0 HD21 LEU A 142 17.595 18.455 3.831 1.00 51.32 H new ATOM 0 HD22 LEU A 142 18.212 17.763 5.350 1.00 51.32 H new ATOM 0 HD23 LEU A 142 19.338 18.154 4.028 1.00 51.32 H new ATOM 2316 N GLU A 143 20.751 11.954 3.700 1.00 11.21 N ATOM 2317 CA GLU A 143 21.787 10.998 4.156 1.00 53.14 C ATOM 2318 C GLU A 143 23.018 11.049 3.216 1.00 43.54 C ATOM 2319 O GLU A 143 24.052 11.634 3.551 1.00 31.23 O ATOM 2320 CB GLU A 143 21.170 9.560 4.208 1.00 1.42 C ATOM 2321 CG GLU A 143 22.144 8.411 4.582 1.00 31.33 C ATOM 2322 CD GLU A 143 22.692 8.509 6.017 1.00 65.52 C ATOM 2323 OE1 GLU A 143 21.958 8.143 6.964 1.00 11.33 O ATOM 2324 OE2 GLU A 143 23.852 8.936 6.205 1.00 61.22 O ATOM 0 H GLU A 143 20.023 11.516 3.136 1.00 11.21 H new ATOM 0 HA GLU A 143 22.126 11.271 5.155 1.00 53.14 H new ATOM 0 HB2 GLU A 143 20.352 9.564 4.928 1.00 1.42 H new ATOM 0 HB3 GLU A 143 20.736 9.338 3.233 1.00 1.42 H new ATOM 0 HG2 GLU A 143 21.630 7.457 4.463 1.00 31.33 H new ATOM 0 HG3 GLU A 143 22.980 8.412 3.882 1.00 31.33 H new ATOM 2331 N HIS A 144 22.872 10.434 2.029 1.00 14.21 N ATOM 2332 CA HIS A 144 23.896 10.396 0.960 1.00 34.13 C ATOM 2333 C HIS A 144 23.180 10.420 -0.412 1.00 35.22 C ATOM 2334 O HIS A 144 21.960 10.188 -0.480 1.00 71.05 O ATOM 2335 CB HIS A 144 24.781 9.114 1.056 1.00 3.43 C ATOM 2336 CG HIS A 144 25.597 8.983 2.320 1.00 43.23 C ATOM 2337 ND1 HIS A 144 25.468 7.926 3.193 1.00 33.42 N ATOM 2338 CD2 HIS A 144 26.566 9.775 2.844 1.00 22.21 C ATOM 2339 CE1 HIS A 144 26.310 8.074 4.190 1.00 1.13 C ATOM 2340 NE2 HIS A 144 26.989 9.185 4.006 1.00 64.12 N ATOM 0 H HIS A 144 22.018 9.936 1.776 1.00 14.21 H new ATOM 0 HA HIS A 144 24.548 11.262 1.074 1.00 34.13 H new ATOM 0 HB2 HIS A 144 24.135 8.240 0.968 1.00 3.43 H new ATOM 0 HB3 HIS A 144 25.459 9.096 0.203 1.00 3.43 H new ATOM 0 HD2 HIS A 144 26.935 10.699 2.423 1.00 22.21 H new ATOM 0 HE1 HIS A 144 26.426 7.396 5.023 1.00 1.13 H new ATOM 0 HE2 HIS A 144 27.712 9.548 4.627 1.00 64.12 H new ATOM 2349 N HIS A 145 23.952 10.693 -1.488 1.00 1.03 N ATOM 2350 CA HIS A 145 23.448 10.676 -2.885 1.00 63.30 C ATOM 2351 C HIS A 145 22.294 11.712 -3.089 1.00 24.21 C ATOM 2352 O HIS A 145 21.155 11.362 -3.446 1.00 61.12 O ATOM 2353 CB HIS A 145 23.063 9.205 -3.278 1.00 32.12 C ATOM 2354 CG HIS A 145 22.512 9.001 -4.672 1.00 42.32 C ATOM 2355 ND1 HIS A 145 23.211 9.305 -5.814 1.00 32.21 N ATOM 2356 CD2 HIS A 145 21.309 8.517 -5.094 1.00 61.11 C ATOM 2357 CE1 HIS A 145 22.475 9.023 -6.872 1.00 53.34 C ATOM 2358 NE2 HIS A 145 21.320 8.548 -6.461 1.00 25.50 N ATOM 0 H HIS A 145 24.941 10.931 -1.415 1.00 1.03 H new ATOM 0 HA HIS A 145 24.234 10.997 -3.569 1.00 63.30 H new ATOM 0 HB2 HIS A 145 23.948 8.579 -3.166 1.00 32.12 H new ATOM 0 HB3 HIS A 145 22.324 8.843 -2.563 1.00 32.12 H new ATOM 0 HD2 HIS A 145 20.500 8.174 -4.467 1.00 61.11 H new ATOM 0 HE1 HIS A 145 22.771 9.159 -7.902 1.00 53.34 H new ATOM 0 HE2 HIS A 145 20.554 8.250 -7.065 1.00 25.50 H new ATOM 2367 N HIS A 146 22.598 13.002 -2.799 1.00 52.33 N ATOM 2368 CA HIS A 146 21.659 14.119 -3.048 1.00 73.50 C ATOM 2369 C HIS A 146 21.462 14.309 -4.577 1.00 24.15 C ATOM 2370 O HIS A 146 22.378 14.744 -5.290 1.00 20.22 O ATOM 2371 CB HIS A 146 22.128 15.428 -2.331 1.00 55.01 C ATOM 2372 CG HIS A 146 23.414 16.069 -2.833 1.00 73.41 C ATOM 2373 ND1 HIS A 146 24.511 15.355 -3.266 1.00 74.31 N ATOM 2374 CD2 HIS A 146 23.760 17.377 -2.963 1.00 1.33 C ATOM 2375 CE1 HIS A 146 25.467 16.186 -3.629 1.00 51.04 C ATOM 2376 NE2 HIS A 146 25.040 17.420 -3.457 1.00 24.33 N ATOM 0 H HIS A 146 23.487 13.292 -2.392 1.00 52.33 H new ATOM 0 HA HIS A 146 20.688 13.873 -2.618 1.00 73.50 H new ATOM 0 HB2 HIS A 146 21.328 16.164 -2.413 1.00 55.01 H new ATOM 0 HB3 HIS A 146 22.251 15.208 -1.271 1.00 55.01 H new ATOM 0 HD2 HIS A 146 23.140 18.228 -2.721 1.00 1.33 H new ATOM 0 HE1 HIS A 146 26.439 15.902 -4.005 1.00 51.04 H new ATOM 0 HE2 HIS A 146 25.572 18.267 -3.658 1.00 24.33 H new ATOM 2385 N HIS A 147 20.272 13.907 -5.077 1.00 30.52 N ATOM 2386 CA HIS A 147 19.999 13.827 -6.531 1.00 2.43 C ATOM 2387 C HIS A 147 19.884 15.233 -7.197 1.00 13.23 C ATOM 2388 O HIS A 147 18.805 15.829 -7.304 1.00 52.23 O ATOM 2389 CB HIS A 147 18.777 12.896 -6.836 1.00 45.12 C ATOM 2390 CG HIS A 147 17.433 13.308 -6.273 1.00 53.02 C ATOM 2391 ND1 HIS A 147 16.260 13.187 -6.992 1.00 62.31 N ATOM 2392 CD2 HIS A 147 17.063 13.777 -5.055 1.00 0.30 C ATOM 2393 CE1 HIS A 147 15.246 13.562 -6.248 1.00 44.14 C ATOM 2394 NE2 HIS A 147 15.703 13.927 -5.071 1.00 32.53 N ATOM 0 H HIS A 147 19.482 13.632 -4.493 1.00 30.52 H new ATOM 0 HA HIS A 147 20.866 13.360 -6.997 1.00 2.43 H new ATOM 0 HB2 HIS A 147 18.678 12.813 -7.918 1.00 45.12 H new ATOM 0 HB3 HIS A 147 19.010 11.900 -6.460 1.00 45.12 H new ATOM 0 HD2 HIS A 147 17.721 13.992 -4.226 1.00 0.30 H new ATOM 0 HE1 HIS A 147 14.210 13.569 -6.552 1.00 44.14 H new ATOM 0 HE2 HIS A 147 15.135 14.267 -4.295 1.00 32.53 H new ATOM 2403 N HIS A 148 21.060 15.762 -7.588 1.00 14.01 N ATOM 2404 CA HIS A 148 21.203 17.036 -8.316 1.00 21.33 C ATOM 2405 C HIS A 148 20.869 16.818 -9.815 1.00 64.53 C ATOM 2406 O HIS A 148 21.731 16.395 -10.594 1.00 61.43 O ATOM 2407 CB HIS A 148 22.661 17.568 -8.124 1.00 30.22 C ATOM 2408 CG HIS A 148 22.974 18.871 -8.832 1.00 35.42 C ATOM 2409 ND1 HIS A 148 23.313 18.937 -10.168 1.00 71.33 N ATOM 2410 CD2 HIS A 148 23.004 20.156 -8.384 1.00 3.14 C ATOM 2411 CE1 HIS A 148 23.538 20.188 -10.508 1.00 11.11 C ATOM 2412 NE2 HIS A 148 23.357 20.947 -9.449 1.00 22.32 N ATOM 0 H HIS A 148 21.953 15.306 -7.403 1.00 14.01 H new ATOM 0 HA HIS A 148 20.509 17.780 -7.924 1.00 21.33 H new ATOM 0 HB2 HIS A 148 22.844 17.700 -7.058 1.00 30.22 H new ATOM 0 HB3 HIS A 148 23.357 16.806 -8.475 1.00 30.22 H new ATOM 0 HD2 HIS A 148 22.790 20.490 -7.380 1.00 3.14 H new ATOM 0 HE1 HIS A 148 23.823 20.533 -11.491 1.00 11.11 H new ATOM 0 HE2 HIS A 148 23.462 21.961 -9.423 1.00 22.32 H new ATOM 2421 N HIS A 149 19.604 17.084 -10.196 1.00 53.54 N ATOM 2422 CA HIS A 149 19.109 16.822 -11.564 1.00 71.13 C ATOM 2423 C HIS A 149 17.906 17.730 -11.880 1.00 54.03 C ATOM 2424 O HIS A 149 18.027 18.958 -11.927 1.00 32.24 O ATOM 2425 CB HIS A 149 18.732 15.316 -11.706 1.00 22.13 C ATOM 2426 CG HIS A 149 18.581 14.836 -13.127 1.00 41.23 C ATOM 2427 ND1 HIS A 149 19.635 14.329 -13.857 1.00 21.33 N ATOM 2428 CD2 HIS A 149 17.504 14.785 -13.950 1.00 12.33 C ATOM 2429 CE1 HIS A 149 19.218 13.992 -15.056 1.00 62.02 C ATOM 2430 NE2 HIS A 149 17.931 14.258 -15.140 1.00 12.22 N ATOM 0 H HIS A 149 18.902 17.482 -9.572 1.00 53.54 H new ATOM 0 HA HIS A 149 19.896 17.050 -12.283 1.00 71.13 H new ATOM 0 HB2 HIS A 149 19.497 14.716 -11.213 1.00 22.13 H new ATOM 0 HB3 HIS A 149 17.797 15.138 -11.175 1.00 22.13 H new ATOM 0 HD2 HIS A 149 16.499 15.101 -13.712 1.00 12.33 H new ATOM 0 HE1 HIS A 149 19.828 13.568 -15.840 1.00 62.02 H new ATOM 0 HE2 HIS A 149 17.346 14.097 -15.960 1.00 12.22 H new TER 2439 HIS A 149