USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1071 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -108:sc= -0.585 USER MOD Single : A 24 LYS NZ :NH3+ -127:sc= 0.413 (180deg=-0.105) USER MOD Single : A 25 SER OG : rot 75:sc= 0.439 USER MOD Single : A 28 ASN : amide:sc= 0.185 X(o=0.18,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 140:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0.278 (180deg=0.252) USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0.185 (180deg=-0.00955) USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= 0.879 (180deg=0.445) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.29) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 30:sc= -0.0386 USER MOD Single : A 74 GLN : amide:sc= -0.884 K(o=-0.88,f=-2.7) USER MOD Single : A 75 LYS NZ :NH3+ -116:sc=-0.00046 (180deg=-0.493) USER MOD Single : A 84 MET CE :methyl -118:sc= -0.0222 (180deg=-1.33) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 89 GLN : amide:sc= -2.35! C(o=-2.3!,f=-4.2!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc=-0.00632 X(o=-0.0063,f=-0.35) USER MOD Single : A 100 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0106) USER MOD Single : A 101 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0522) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 111 ASN : amide:sc= 0.517 K(o=0.52,f=-4.7!) USER MOD Single : A 116 LYS NZ :NH3+ 154:sc= 0.983 (180deg=0.523) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 176:sc= 0.45 (180deg=0.434) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 2.037 14.250 -0.911 1.00 74.14 N ATOM 21 CA GLY A 2 2.791 13.001 -0.792 1.00 54.01 C ATOM 22 C GLY A 2 2.022 12.008 0.070 1.00 72.35 C ATOM 23 O GLY A 2 1.720 12.306 1.230 1.00 52.22 O ATOM 0 HA2 GLY A 2 2.967 12.577 -1.781 1.00 54.01 H new ATOM 0 HA3 GLY A 2 3.768 13.197 -0.351 1.00 54.01 H new ATOM 27 N THR A 3 1.663 10.852 -0.500 1.00 60.44 N ATOM 28 CA THR A 3 0.824 9.845 0.173 1.00 44.42 C ATOM 29 C THR A 3 1.255 8.435 -0.275 1.00 54.22 C ATOM 30 O THR A 3 1.406 8.199 -1.465 1.00 21.21 O ATOM 31 CB THR A 3 -0.686 10.092 -0.180 1.00 41.32 C ATOM 32 OG1 THR A 3 -1.086 11.416 0.222 1.00 23.25 O ATOM 33 CG2 THR A 3 -1.613 9.071 0.477 1.00 12.03 C ATOM 0 H THR A 3 1.945 10.585 -1.443 1.00 60.44 H new ATOM 0 HA THR A 3 0.949 9.927 1.253 1.00 44.42 H new ATOM 0 HB THR A 3 -0.775 9.984 -1.261 1.00 41.32 H new ATOM 0 HG1 THR A 3 -2.029 11.556 -0.006 1.00 23.25 H new ATOM 0 HG21 THR A 3 -2.645 9.286 0.201 1.00 12.03 H new ATOM 0 HG22 THR A 3 -1.349 8.069 0.139 1.00 12.03 H new ATOM 0 HG23 THR A 3 -1.508 9.128 1.560 1.00 12.03 H new ATOM 41 N VAL A 4 1.459 7.506 0.680 1.00 50.23 N ATOM 42 CA VAL A 4 1.929 6.132 0.381 1.00 60.42 C ATOM 43 C VAL A 4 0.821 5.105 0.690 1.00 41.05 C ATOM 44 O VAL A 4 0.246 5.118 1.772 1.00 62.42 O ATOM 45 CB VAL A 4 3.234 5.787 1.198 1.00 63.35 C ATOM 46 CG1 VAL A 4 3.801 4.402 0.815 1.00 51.12 C ATOM 47 CG2 VAL A 4 4.306 6.885 1.016 1.00 43.04 C ATOM 0 H VAL A 4 1.305 7.681 1.673 1.00 50.23 H new ATOM 0 HA VAL A 4 2.170 6.083 -0.681 1.00 60.42 H new ATOM 0 HB VAL A 4 2.955 5.748 2.251 1.00 63.35 H new ATOM 0 HG11 VAL A 4 4.699 4.202 1.400 1.00 51.12 H new ATOM 0 HG12 VAL A 4 3.055 3.634 1.021 1.00 51.12 H new ATOM 0 HG13 VAL A 4 4.049 4.391 -0.246 1.00 51.12 H new ATOM 0 HG21 VAL A 4 5.196 6.624 1.589 1.00 43.04 H new ATOM 0 HG22 VAL A 4 4.566 6.968 -0.039 1.00 43.04 H new ATOM 0 HG23 VAL A 4 3.914 7.839 1.370 1.00 43.04 H new ATOM 57 N VAL A 5 0.528 4.229 -0.282 1.00 73.42 N ATOM 58 CA VAL A 5 -0.463 3.148 -0.148 1.00 14.14 C ATOM 59 C VAL A 5 0.280 1.803 -0.201 1.00 41.32 C ATOM 60 O VAL A 5 0.807 1.432 -1.248 1.00 33.44 O ATOM 61 CB VAL A 5 -1.567 3.221 -1.281 1.00 64.05 C ATOM 62 CG1 VAL A 5 -2.611 2.080 -1.147 1.00 31.14 C ATOM 63 CG2 VAL A 5 -2.254 4.612 -1.302 1.00 55.52 C ATOM 0 H VAL A 5 0.978 4.251 -1.197 1.00 73.42 H new ATOM 0 HA VAL A 5 -0.983 3.255 0.804 1.00 14.14 H new ATOM 0 HB VAL A 5 -1.060 3.081 -2.236 1.00 64.05 H new ATOM 0 HG11 VAL A 5 -3.350 2.167 -1.944 1.00 31.14 H new ATOM 0 HG12 VAL A 5 -2.108 1.116 -1.223 1.00 31.14 H new ATOM 0 HG13 VAL A 5 -3.109 2.154 -0.180 1.00 31.14 H new ATOM 0 HG21 VAL A 5 -3.007 4.634 -2.089 1.00 55.52 H new ATOM 0 HG22 VAL A 5 -2.730 4.797 -0.339 1.00 55.52 H new ATOM 0 HG23 VAL A 5 -1.508 5.383 -1.492 1.00 55.52 H new ATOM 73 N ILE A 6 0.347 1.093 0.935 1.00 71.53 N ATOM 74 CA ILE A 6 1.081 -0.178 1.045 1.00 25.40 C ATOM 75 C ILE A 6 0.133 -1.348 0.726 1.00 34.02 C ATOM 76 O ILE A 6 -0.801 -1.622 1.480 1.00 63.51 O ATOM 77 CB ILE A 6 1.697 -0.362 2.483 1.00 63.10 C ATOM 78 CG1 ILE A 6 2.630 0.830 2.852 1.00 41.25 C ATOM 79 CG2 ILE A 6 2.457 -1.707 2.608 1.00 32.52 C ATOM 80 CD1 ILE A 6 3.843 0.992 1.953 1.00 43.41 C ATOM 0 H ILE A 6 -0.105 1.382 1.802 1.00 71.53 H new ATOM 0 HA ILE A 6 1.902 -0.163 0.329 1.00 25.40 H new ATOM 0 HB ILE A 6 0.868 -0.379 3.190 1.00 63.10 H new ATOM 0 HG12 ILE A 6 2.048 1.751 2.822 1.00 41.25 H new ATOM 0 HG13 ILE A 6 2.971 0.701 3.879 1.00 41.25 H new ATOM 0 HG21 ILE A 6 2.869 -1.800 3.613 1.00 32.52 H new ATOM 0 HG22 ILE A 6 1.770 -2.532 2.419 1.00 32.52 H new ATOM 0 HG23 ILE A 6 3.267 -1.736 1.880 1.00 32.52 H new ATOM 0 HD11 ILE A 6 4.432 1.846 2.287 1.00 43.41 H new ATOM 0 HD12 ILE A 6 4.453 0.090 1.999 1.00 43.41 H new ATOM 0 HD13 ILE A 6 3.516 1.156 0.926 1.00 43.41 H new ATOM 92 N VAL A 7 0.370 -2.011 -0.409 1.00 53.20 N ATOM 93 CA VAL A 7 -0.397 -3.185 -0.840 1.00 2.23 C ATOM 94 C VAL A 7 0.449 -4.451 -0.616 1.00 44.51 C ATOM 95 O VAL A 7 1.486 -4.656 -1.265 1.00 24.45 O ATOM 96 CB VAL A 7 -0.830 -3.060 -2.347 1.00 52.44 C ATOM 97 CG1 VAL A 7 -1.490 -4.355 -2.858 1.00 71.32 C ATOM 98 CG2 VAL A 7 -1.757 -1.836 -2.550 1.00 21.31 C ATOM 0 H VAL A 7 1.107 -1.746 -1.062 1.00 53.20 H new ATOM 0 HA VAL A 7 -1.309 -3.250 -0.247 1.00 2.23 H new ATOM 0 HB VAL A 7 0.071 -2.905 -2.941 1.00 52.44 H new ATOM 0 HG11 VAL A 7 -1.776 -4.230 -3.903 1.00 71.32 H new ATOM 0 HG12 VAL A 7 -0.785 -5.182 -2.771 1.00 71.32 H new ATOM 0 HG13 VAL A 7 -2.377 -4.571 -2.263 1.00 71.32 H new ATOM 0 HG21 VAL A 7 -2.045 -1.768 -3.599 1.00 21.31 H new ATOM 0 HG22 VAL A 7 -2.650 -1.950 -1.935 1.00 21.31 H new ATOM 0 HG23 VAL A 7 -1.229 -0.928 -2.259 1.00 21.31 H new ATOM 108 N VAL A 8 0.006 -5.267 0.346 1.00 52.10 N ATOM 109 CA VAL A 8 0.621 -6.542 0.706 1.00 30.20 C ATOM 110 C VAL A 8 -0.305 -7.684 0.262 1.00 53.21 C ATOM 111 O VAL A 8 -1.401 -7.853 0.805 1.00 72.31 O ATOM 112 CB VAL A 8 0.867 -6.625 2.259 1.00 61.34 C ATOM 113 CG1 VAL A 8 1.430 -8.005 2.691 1.00 4.31 C ATOM 114 CG2 VAL A 8 1.768 -5.463 2.734 1.00 14.44 C ATOM 0 H VAL A 8 -0.815 -5.049 0.911 1.00 52.10 H new ATOM 0 HA VAL A 8 1.585 -6.627 0.205 1.00 30.20 H new ATOM 0 HB VAL A 8 -0.101 -6.521 2.750 1.00 61.34 H new ATOM 0 HG11 VAL A 8 1.583 -8.014 3.770 1.00 4.31 H new ATOM 0 HG12 VAL A 8 0.722 -8.788 2.418 1.00 4.31 H new ATOM 0 HG13 VAL A 8 2.380 -8.184 2.188 1.00 4.31 H new ATOM 0 HG21 VAL A 8 1.925 -5.540 3.810 1.00 14.44 H new ATOM 0 HG22 VAL A 8 2.729 -5.515 2.223 1.00 14.44 H new ATOM 0 HG23 VAL A 8 1.287 -4.512 2.505 1.00 14.44 H new ATOM 124 N SER A 9 0.127 -8.422 -0.755 1.00 5.21 N ATOM 125 CA SER A 9 -0.515 -9.669 -1.189 1.00 42.32 C ATOM 126 C SER A 9 0.577 -10.698 -1.423 1.00 21.44 C ATOM 127 O SER A 9 1.660 -10.349 -1.870 1.00 21.12 O ATOM 128 CB SER A 9 -1.332 -9.456 -2.479 1.00 20.42 C ATOM 129 OG SER A 9 -1.822 -10.693 -2.973 1.00 11.12 O ATOM 0 H SER A 9 0.944 -8.172 -1.312 1.00 5.21 H new ATOM 0 HA SER A 9 -1.208 -10.012 -0.420 1.00 42.32 H new ATOM 0 HB2 SER A 9 -2.166 -8.782 -2.280 1.00 20.42 H new ATOM 0 HB3 SER A 9 -0.709 -8.978 -3.235 1.00 20.42 H new ATOM 0 HG SER A 9 -1.328 -10.941 -3.782 1.00 11.12 H new ATOM 135 N ARG A 10 0.293 -11.966 -1.120 1.00 2.33 N ATOM 136 CA ARG A 10 1.266 -13.066 -1.276 1.00 2.35 C ATOM 137 C ARG A 10 0.938 -13.876 -2.544 1.00 4.41 C ATOM 138 O ARG A 10 1.674 -14.794 -2.911 1.00 2.24 O ATOM 139 CB ARG A 10 1.248 -13.933 0.009 1.00 42.41 C ATOM 140 CG ARG A 10 1.407 -13.101 1.315 1.00 24.21 C ATOM 141 CD ARG A 10 0.985 -13.855 2.586 1.00 10.34 C ATOM 142 NE ARG A 10 1.865 -15.001 2.905 1.00 44.33 N ATOM 143 CZ ARG A 10 1.524 -16.294 2.794 1.00 44.34 C ATOM 144 NH1 ARG A 10 0.323 -16.646 2.351 1.00 72.23 N ATOM 145 NH2 ARG A 10 2.381 -17.227 3.153 1.00 11.22 N ATOM 0 H ARG A 10 -0.613 -12.266 -0.760 1.00 2.33 H new ATOM 0 HA ARG A 10 2.276 -12.677 -1.403 1.00 2.35 H new ATOM 0 HB2 ARG A 10 0.311 -14.488 0.052 1.00 42.41 H new ATOM 0 HB3 ARG A 10 2.051 -14.668 -0.046 1.00 42.41 H new ATOM 0 HG2 ARG A 10 2.448 -12.794 1.415 1.00 24.21 H new ATOM 0 HG3 ARG A 10 0.813 -12.191 1.230 1.00 24.21 H new ATOM 0 HD2 ARG A 10 0.983 -13.162 3.427 1.00 10.34 H new ATOM 0 HD3 ARG A 10 -0.037 -14.213 2.465 1.00 10.34 H new ATOM 0 HE ARG A 10 2.807 -14.791 3.236 1.00 44.33 H new ATOM 0 HH11 ARG A 10 -0.354 -15.930 2.090 1.00 72.23 H new ATOM 0 HH12 ARG A 10 0.078 -17.633 2.272 1.00 72.23 H new ATOM 0 HH21 ARG A 10 3.299 -16.965 3.513 1.00 11.22 H new ATOM 0 HH22 ARG A 10 2.127 -18.211 3.071 1.00 11.22 H new ATOM 159 N ASP A 11 -0.179 -13.508 -3.211 1.00 64.51 N ATOM 160 CA ASP A 11 -0.616 -14.092 -4.500 1.00 1.43 C ATOM 161 C ASP A 11 -0.370 -13.091 -5.648 1.00 51.14 C ATOM 162 O ASP A 11 -0.835 -11.952 -5.567 1.00 62.34 O ATOM 163 CB ASP A 11 -2.126 -14.451 -4.426 1.00 43.33 C ATOM 164 CG ASP A 11 -2.696 -15.028 -5.745 1.00 64.33 C ATOM 165 OD1 ASP A 11 -2.600 -16.258 -5.959 1.00 15.13 O ATOM 166 OD2 ASP A 11 -3.242 -14.260 -6.570 1.00 25.30 O ATOM 0 H ASP A 11 -0.811 -12.787 -2.864 1.00 64.51 H new ATOM 0 HA ASP A 11 -0.040 -14.997 -4.694 1.00 1.43 H new ATOM 0 HB2 ASP A 11 -2.279 -15.176 -3.627 1.00 43.33 H new ATOM 0 HB3 ASP A 11 -2.690 -13.558 -4.157 1.00 43.33 H new ATOM 171 N GLU A 12 0.309 -13.559 -6.725 1.00 51.51 N ATOM 172 CA GLU A 12 0.666 -12.753 -7.924 1.00 42.32 C ATOM 173 C GLU A 12 -0.543 -12.013 -8.514 1.00 45.15 C ATOM 174 O GLU A 12 -0.507 -10.792 -8.712 1.00 25.11 O ATOM 175 CB GLU A 12 1.262 -13.683 -9.028 1.00 11.40 C ATOM 176 CG GLU A 12 2.709 -14.148 -8.792 1.00 75.34 C ATOM 177 CD GLU A 12 3.755 -13.043 -9.012 1.00 34.24 C ATOM 178 OE1 GLU A 12 3.530 -12.125 -9.831 1.00 52.32 O ATOM 179 OE2 GLU A 12 4.827 -13.100 -8.393 1.00 73.51 O ATOM 0 H GLU A 12 0.631 -14.525 -6.788 1.00 51.51 H new ATOM 0 HA GLU A 12 1.397 -12.012 -7.601 1.00 42.32 H new ATOM 0 HB2 GLU A 12 0.626 -14.564 -9.119 1.00 11.40 H new ATOM 0 HB3 GLU A 12 1.218 -13.159 -9.983 1.00 11.40 H new ATOM 0 HG2 GLU A 12 2.799 -14.524 -7.773 1.00 75.34 H new ATOM 0 HG3 GLU A 12 2.927 -14.981 -9.460 1.00 75.34 H new ATOM 186 N ARG A 13 -1.611 -12.782 -8.751 1.00 63.43 N ATOM 187 CA ARG A 13 -2.769 -12.346 -9.541 1.00 3.34 C ATOM 188 C ARG A 13 -3.543 -11.210 -8.848 1.00 2.01 C ATOM 189 O ARG A 13 -4.204 -10.426 -9.515 1.00 51.35 O ATOM 190 CB ARG A 13 -3.678 -13.565 -9.843 1.00 63.13 C ATOM 191 CG ARG A 13 -2.915 -14.774 -10.445 1.00 42.31 C ATOM 192 CD ARG A 13 -2.211 -14.441 -11.782 1.00 51.12 C ATOM 193 NE ARG A 13 -1.098 -15.365 -12.074 1.00 60.40 N ATOM 194 CZ ARG A 13 0.164 -14.992 -12.376 1.00 53.32 C ATOM 195 NH1 ARG A 13 0.507 -13.706 -12.438 1.00 4.53 N ATOM 196 NH2 ARG A 13 1.078 -15.918 -12.613 1.00 30.24 N ATOM 0 H ARG A 13 -1.697 -13.734 -8.396 1.00 63.43 H new ATOM 0 HA ARG A 13 -2.412 -11.935 -10.485 1.00 3.34 H new ATOM 0 HB2 ARG A 13 -4.170 -13.878 -8.922 1.00 63.13 H new ATOM 0 HB3 ARG A 13 -4.463 -13.260 -10.535 1.00 63.13 H new ATOM 0 HG2 ARG A 13 -2.173 -15.122 -9.727 1.00 42.31 H new ATOM 0 HG3 ARG A 13 -3.614 -15.595 -10.604 1.00 42.31 H new ATOM 0 HD2 ARG A 13 -2.938 -14.483 -12.593 1.00 51.12 H new ATOM 0 HD3 ARG A 13 -1.832 -13.419 -11.746 1.00 51.12 H new ATOM 0 HE ARG A 13 -1.298 -16.365 -12.045 1.00 60.40 H new ATOM 0 HH11 ARG A 13 -0.189 -12.983 -12.256 1.00 4.53 H new ATOM 0 HH12 ARG A 13 1.466 -13.444 -12.668 1.00 4.53 H new ATOM 0 HH21 ARG A 13 0.827 -16.906 -12.567 1.00 30.24 H new ATOM 0 HH22 ARG A 13 2.034 -15.645 -12.842 1.00 30.24 H new ATOM 210 N ILE A 14 -3.412 -11.106 -7.512 1.00 1.14 N ATOM 211 CA ILE A 14 -4.011 -10.006 -6.740 1.00 22.34 C ATOM 212 C ILE A 14 -3.265 -8.673 -7.027 1.00 12.44 C ATOM 213 O ILE A 14 -3.916 -7.675 -7.325 1.00 24.50 O ATOM 214 CB ILE A 14 -4.031 -10.318 -5.195 1.00 70.20 C ATOM 215 CG1 ILE A 14 -4.825 -11.635 -4.901 1.00 2.11 C ATOM 216 CG2 ILE A 14 -4.613 -9.137 -4.378 1.00 1.30 C ATOM 217 CD1 ILE A 14 -4.875 -12.061 -3.434 1.00 30.11 C ATOM 0 H ILE A 14 -2.893 -11.776 -6.944 1.00 1.14 H new ATOM 0 HA ILE A 14 -5.047 -9.902 -7.061 1.00 22.34 H new ATOM 0 HB ILE A 14 -2.997 -10.459 -4.880 1.00 70.20 H new ATOM 0 HG12 ILE A 14 -5.847 -11.510 -5.260 1.00 2.11 H new ATOM 0 HG13 ILE A 14 -4.380 -12.444 -5.481 1.00 2.11 H new ATOM 0 HG21 ILE A 14 -4.610 -9.391 -3.318 1.00 1.30 H new ATOM 0 HG22 ILE A 14 -4.004 -8.248 -4.540 1.00 1.30 H new ATOM 0 HG23 ILE A 14 -5.635 -8.940 -4.701 1.00 1.30 H new ATOM 0 HD11 ILE A 14 -5.448 -12.983 -3.342 1.00 30.11 H new ATOM 0 HD12 ILE A 14 -3.862 -12.226 -3.068 1.00 30.11 H new ATOM 0 HD13 ILE A 14 -5.351 -11.278 -2.844 1.00 30.11 H new ATOM 229 N LEU A 15 -1.893 -8.685 -6.999 1.00 64.00 N ATOM 230 CA LEU A 15 -1.070 -7.445 -7.194 1.00 43.01 C ATOM 231 C LEU A 15 -1.411 -6.728 -8.532 1.00 65.31 C ATOM 232 O LEU A 15 -1.562 -5.503 -8.560 1.00 72.33 O ATOM 233 CB LEU A 15 0.477 -7.719 -7.159 1.00 53.20 C ATOM 234 CG LEU A 15 1.166 -8.048 -5.783 1.00 62.14 C ATOM 235 CD1 LEU A 15 0.696 -7.110 -4.648 1.00 70.02 C ATOM 236 CD2 LEU A 15 1.038 -9.533 -5.406 1.00 53.01 C ATOM 0 H LEU A 15 -1.341 -9.529 -6.845 1.00 64.00 H new ATOM 0 HA LEU A 15 -1.328 -6.803 -6.352 1.00 43.01 H new ATOM 0 HB2 LEU A 15 0.679 -8.551 -7.834 1.00 53.20 H new ATOM 0 HB3 LEU A 15 0.975 -6.843 -7.575 1.00 53.20 H new ATOM 0 HG LEU A 15 2.230 -7.855 -5.919 1.00 62.14 H new ATOM 0 HD11 LEU A 15 1.201 -7.379 -3.721 1.00 70.02 H new ATOM 0 HD12 LEU A 15 0.936 -6.078 -4.906 1.00 70.02 H new ATOM 0 HD13 LEU A 15 -0.381 -7.210 -4.516 1.00 70.02 H new ATOM 0 HD21 LEU A 15 1.529 -9.709 -4.449 1.00 53.01 H new ATOM 0 HD22 LEU A 15 -0.016 -9.799 -5.327 1.00 53.01 H new ATOM 0 HD23 LEU A 15 1.510 -10.145 -6.174 1.00 53.01 H new ATOM 248 N GLU A 16 -1.533 -7.521 -9.619 1.00 35.42 N ATOM 249 CA GLU A 16 -1.731 -6.998 -10.992 1.00 74.21 C ATOM 250 C GLU A 16 -3.155 -6.454 -11.191 1.00 74.12 C ATOM 251 O GLU A 16 -3.346 -5.471 -11.913 1.00 24.22 O ATOM 252 CB GLU A 16 -1.395 -8.091 -12.041 1.00 2.14 C ATOM 253 CG GLU A 16 -2.317 -9.326 -12.010 1.00 62.42 C ATOM 254 CD GLU A 16 -1.879 -10.430 -12.980 1.00 33.42 C ATOM 255 OE1 GLU A 16 -1.170 -11.362 -12.550 1.00 2.12 O ATOM 256 OE2 GLU A 16 -2.210 -10.351 -14.185 1.00 22.03 O ATOM 0 H GLU A 16 -1.497 -8.539 -9.571 1.00 35.42 H new ATOM 0 HA GLU A 16 -1.046 -6.162 -11.135 1.00 74.21 H new ATOM 0 HB2 GLU A 16 -1.441 -7.646 -13.035 1.00 2.14 H new ATOM 0 HB3 GLU A 16 -0.367 -8.419 -11.886 1.00 2.14 H new ATOM 0 HG2 GLU A 16 -2.340 -9.729 -10.997 1.00 62.42 H new ATOM 0 HG3 GLU A 16 -3.334 -9.019 -12.254 1.00 62.42 H new ATOM 263 N GLU A 17 -4.147 -7.098 -10.539 1.00 60.25 N ATOM 264 CA GLU A 17 -5.545 -6.626 -10.558 1.00 53.43 C ATOM 265 C GLU A 17 -5.674 -5.287 -9.823 1.00 43.20 C ATOM 266 O GLU A 17 -6.403 -4.403 -10.268 1.00 72.13 O ATOM 267 CB GLU A 17 -6.500 -7.669 -9.929 1.00 11.50 C ATOM 268 CG GLU A 17 -6.645 -8.970 -10.733 1.00 63.34 C ATOM 269 CD GLU A 17 -7.176 -8.756 -12.163 1.00 73.22 C ATOM 270 OE1 GLU A 17 -6.388 -8.800 -13.130 1.00 3.03 O ATOM 271 OE2 GLU A 17 -8.394 -8.538 -12.325 1.00 23.30 O ATOM 0 H GLU A 17 -4.003 -7.947 -9.993 1.00 60.25 H new ATOM 0 HA GLU A 17 -5.831 -6.487 -11.601 1.00 53.43 H new ATOM 0 HB2 GLU A 17 -6.142 -7.913 -8.929 1.00 11.50 H new ATOM 0 HB3 GLU A 17 -7.485 -7.217 -9.813 1.00 11.50 H new ATOM 0 HG2 GLU A 17 -5.675 -9.465 -10.785 1.00 63.34 H new ATOM 0 HG3 GLU A 17 -7.318 -9.643 -10.201 1.00 63.34 H new ATOM 278 N LEU A 18 -4.944 -5.158 -8.699 1.00 61.53 N ATOM 279 CA LEU A 18 -4.932 -3.936 -7.879 1.00 22.23 C ATOM 280 C LEU A 18 -4.183 -2.799 -8.589 1.00 43.53 C ATOM 281 O LEU A 18 -4.534 -1.626 -8.428 1.00 5.15 O ATOM 282 CB LEU A 18 -4.323 -4.236 -6.481 1.00 3.12 C ATOM 283 CG LEU A 18 -5.095 -5.289 -5.619 1.00 64.14 C ATOM 284 CD1 LEU A 18 -4.525 -5.405 -4.194 1.00 53.21 C ATOM 285 CD2 LEU A 18 -6.594 -4.984 -5.591 1.00 15.14 C ATOM 0 H LEU A 18 -4.346 -5.900 -8.335 1.00 61.53 H new ATOM 0 HA LEU A 18 -5.960 -3.602 -7.737 1.00 22.23 H new ATOM 0 HB2 LEU A 18 -3.299 -4.585 -6.618 1.00 3.12 H new ATOM 0 HB3 LEU A 18 -4.269 -3.303 -5.920 1.00 3.12 H new ATOM 0 HG LEU A 18 -4.954 -6.258 -6.097 1.00 64.14 H new ATOM 0 HD11 LEU A 18 -5.093 -6.148 -3.634 1.00 53.21 H new ATOM 0 HD12 LEU A 18 -3.480 -5.710 -4.244 1.00 53.21 H new ATOM 0 HD13 LEU A 18 -4.598 -4.440 -3.693 1.00 53.21 H new ATOM 0 HD21 LEU A 18 -7.106 -5.731 -4.985 1.00 15.14 H new ATOM 0 HD22 LEU A 18 -6.756 -3.995 -5.162 1.00 15.14 H new ATOM 0 HD23 LEU A 18 -6.989 -5.008 -6.607 1.00 15.14 H new ATOM 297 N LEU A 19 -3.162 -3.163 -9.392 1.00 54.02 N ATOM 298 CA LEU A 19 -2.436 -2.212 -10.252 1.00 24.23 C ATOM 299 C LEU A 19 -3.381 -1.656 -11.320 1.00 73.33 C ATOM 300 O LEU A 19 -3.417 -0.445 -11.556 1.00 21.45 O ATOM 301 CB LEU A 19 -1.208 -2.894 -10.905 1.00 64.22 C ATOM 302 CG LEU A 19 -0.399 -2.022 -11.920 1.00 20.32 C ATOM 303 CD1 LEU A 19 0.135 -0.735 -11.269 1.00 24.30 C ATOM 304 CD2 LEU A 19 0.739 -2.826 -12.563 1.00 4.53 C ATOM 0 H LEU A 19 -2.820 -4.122 -9.461 1.00 54.02 H new ATOM 0 HA LEU A 19 -2.073 -1.386 -9.640 1.00 24.23 H new ATOM 0 HB2 LEU A 19 -0.532 -3.215 -10.113 1.00 64.22 H new ATOM 0 HB3 LEU A 19 -1.547 -3.793 -11.419 1.00 64.22 H new ATOM 0 HG LEU A 19 -1.090 -1.726 -12.710 1.00 20.32 H new ATOM 0 HD11 LEU A 19 0.691 -0.157 -12.007 1.00 24.30 H new ATOM 0 HD12 LEU A 19 -0.700 -0.141 -10.898 1.00 24.30 H new ATOM 0 HD13 LEU A 19 0.793 -0.993 -10.439 1.00 24.30 H new ATOM 0 HD21 LEU A 19 1.282 -2.192 -13.263 1.00 4.53 H new ATOM 0 HD22 LEU A 19 1.420 -3.176 -11.788 1.00 4.53 H new ATOM 0 HD23 LEU A 19 0.324 -3.682 -13.095 1.00 4.53 H new ATOM 316 N GLU A 20 -4.166 -2.564 -11.924 1.00 43.14 N ATOM 317 CA GLU A 20 -5.196 -2.222 -12.909 1.00 65.32 C ATOM 318 C GLU A 20 -6.209 -1.224 -12.342 1.00 73.44 C ATOM 319 O GLU A 20 -6.624 -0.308 -13.047 1.00 52.15 O ATOM 320 CB GLU A 20 -5.904 -3.511 -13.411 1.00 15.15 C ATOM 321 CG GLU A 20 -5.158 -4.237 -14.543 1.00 62.31 C ATOM 322 CD GLU A 20 -5.093 -3.395 -15.832 1.00 44.40 C ATOM 323 OE1 GLU A 20 -6.065 -3.424 -16.618 1.00 14.40 O ATOM 324 OE2 GLU A 20 -4.094 -2.683 -16.054 1.00 62.22 O ATOM 0 H GLU A 20 -4.100 -3.565 -11.738 1.00 43.14 H new ATOM 0 HA GLU A 20 -4.708 -1.738 -13.755 1.00 65.32 H new ATOM 0 HB2 GLU A 20 -6.025 -4.196 -12.572 1.00 15.15 H new ATOM 0 HB3 GLU A 20 -6.904 -3.252 -13.758 1.00 15.15 H new ATOM 0 HG2 GLU A 20 -4.146 -4.474 -14.215 1.00 62.31 H new ATOM 0 HG3 GLU A 20 -5.655 -5.184 -14.754 1.00 62.31 H new ATOM 331 N VAL A 21 -6.569 -1.397 -11.060 1.00 24.22 N ATOM 332 CA VAL A 21 -7.495 -0.491 -10.377 1.00 32.44 C ATOM 333 C VAL A 21 -6.899 0.928 -10.269 1.00 72.25 C ATOM 334 O VAL A 21 -7.601 1.895 -10.558 1.00 31.04 O ATOM 335 CB VAL A 21 -7.909 -1.027 -8.964 1.00 71.34 C ATOM 336 CG1 VAL A 21 -8.859 -0.049 -8.244 1.00 33.31 C ATOM 337 CG2 VAL A 21 -8.554 -2.423 -9.070 1.00 3.20 C ATOM 0 H VAL A 21 -6.229 -2.161 -10.477 1.00 24.22 H new ATOM 0 HA VAL A 21 -8.400 -0.442 -10.983 1.00 32.44 H new ATOM 0 HB VAL A 21 -6.999 -1.111 -8.369 1.00 71.34 H new ATOM 0 HG11 VAL A 21 -9.125 -0.453 -7.267 1.00 33.31 H new ATOM 0 HG12 VAL A 21 -8.362 0.913 -8.116 1.00 33.31 H new ATOM 0 HG13 VAL A 21 -9.762 0.086 -8.839 1.00 33.31 H new ATOM 0 HG21 VAL A 21 -8.832 -2.772 -8.075 1.00 3.20 H new ATOM 0 HG22 VAL A 21 -9.444 -2.366 -9.696 1.00 3.20 H new ATOM 0 HG23 VAL A 21 -7.843 -3.120 -9.513 1.00 3.20 H new ATOM 347 N VAL A 22 -5.594 1.044 -9.897 1.00 21.10 N ATOM 348 CA VAL A 22 -4.923 2.366 -9.787 1.00 2.43 C ATOM 349 C VAL A 22 -4.921 3.082 -11.148 1.00 33.44 C ATOM 350 O VAL A 22 -5.227 4.255 -11.221 1.00 41.20 O ATOM 351 CB VAL A 22 -3.432 2.299 -9.275 1.00 52.13 C ATOM 352 CG1 VAL A 22 -2.887 3.727 -8.991 1.00 61.23 C ATOM 353 CG2 VAL A 22 -3.280 1.404 -8.037 1.00 61.41 C ATOM 0 H VAL A 22 -4.995 0.250 -9.672 1.00 21.10 H new ATOM 0 HA VAL A 22 -5.503 2.912 -9.043 1.00 2.43 H new ATOM 0 HB VAL A 22 -2.839 1.847 -10.070 1.00 52.13 H new ATOM 0 HG11 VAL A 22 -1.858 3.660 -8.639 1.00 61.23 H new ATOM 0 HG12 VAL A 22 -2.920 4.318 -9.906 1.00 61.23 H new ATOM 0 HG13 VAL A 22 -3.501 4.206 -8.228 1.00 61.23 H new ATOM 0 HG21 VAL A 22 -2.236 1.391 -7.724 1.00 61.41 H new ATOM 0 HG22 VAL A 22 -3.897 1.795 -7.228 1.00 61.41 H new ATOM 0 HG23 VAL A 22 -3.599 0.390 -8.280 1.00 61.41 H new ATOM 363 N LEU A 23 -4.604 2.327 -12.216 1.00 35.04 N ATOM 364 CA LEU A 23 -4.484 2.870 -13.584 1.00 52.15 C ATOM 365 C LEU A 23 -5.846 3.393 -14.096 1.00 13.54 C ATOM 366 O LEU A 23 -5.921 4.469 -14.699 1.00 71.13 O ATOM 367 CB LEU A 23 -3.904 1.782 -14.535 1.00 54.23 C ATOM 368 CG LEU A 23 -2.472 1.259 -14.175 1.00 24.15 C ATOM 369 CD1 LEU A 23 -2.030 0.115 -15.115 1.00 41.02 C ATOM 370 CD2 LEU A 23 -1.439 2.411 -14.155 1.00 43.15 C ATOM 0 H LEU A 23 -4.424 1.325 -12.156 1.00 35.04 H new ATOM 0 HA LEU A 23 -3.798 3.717 -13.566 1.00 52.15 H new ATOM 0 HB2 LEU A 23 -4.588 0.934 -14.547 1.00 54.23 H new ATOM 0 HB3 LEU A 23 -3.880 2.186 -15.547 1.00 54.23 H new ATOM 0 HG LEU A 23 -2.520 0.846 -13.167 1.00 24.15 H new ATOM 0 HD11 LEU A 23 -1.032 -0.222 -14.834 1.00 41.02 H new ATOM 0 HD12 LEU A 23 -2.730 -0.716 -15.031 1.00 41.02 H new ATOM 0 HD13 LEU A 23 -2.016 0.475 -16.144 1.00 41.02 H new ATOM 0 HD21 LEU A 23 -0.456 2.014 -13.902 1.00 43.15 H new ATOM 0 HD22 LEU A 23 -1.399 2.881 -15.138 1.00 43.15 H new ATOM 0 HD23 LEU A 23 -1.734 3.151 -13.411 1.00 43.15 H new ATOM 382 N LYS A 24 -6.920 2.635 -13.802 1.00 23.54 N ATOM 383 CA LYS A 24 -8.299 2.982 -14.211 1.00 14.22 C ATOM 384 C LYS A 24 -8.864 4.141 -13.352 1.00 12.53 C ATOM 385 O LYS A 24 -9.716 4.907 -13.826 1.00 32.15 O ATOM 386 CB LYS A 24 -9.231 1.733 -14.124 1.00 3.33 C ATOM 387 CG LYS A 24 -8.849 0.553 -15.058 1.00 72.04 C ATOM 388 CD LYS A 24 -8.874 0.923 -16.557 1.00 53.05 C ATOM 389 CE LYS A 24 -8.533 -0.276 -17.465 1.00 40.01 C ATOM 390 NZ LYS A 24 -7.168 -0.815 -17.197 1.00 62.43 N ATOM 0 H LYS A 24 -6.858 1.764 -13.274 1.00 23.54 H new ATOM 0 HA LYS A 24 -8.264 3.317 -15.248 1.00 14.22 H new ATOM 0 HB2 LYS A 24 -9.234 1.374 -13.095 1.00 3.33 H new ATOM 0 HB3 LYS A 24 -10.250 2.044 -14.356 1.00 3.33 H new ATOM 0 HG2 LYS A 24 -7.852 0.200 -14.795 1.00 72.04 H new ATOM 0 HG3 LYS A 24 -9.536 -0.275 -14.884 1.00 72.04 H new ATOM 0 HD2 LYS A 24 -9.862 1.303 -16.818 1.00 53.05 H new ATOM 0 HD3 LYS A 24 -8.163 1.728 -16.741 1.00 53.05 H new ATOM 0 HE2 LYS A 24 -9.270 -1.065 -17.314 1.00 40.01 H new ATOM 0 HE3 LYS A 24 -8.603 0.030 -18.509 1.00 40.01 H new ATOM 0 HZ1 LYS A 24 -6.632 -0.860 -18.087 1.00 62.43 H new ATOM 0 HZ2 LYS A 24 -6.674 -0.192 -16.526 1.00 62.43 H new ATOM 0 HZ3 LYS A 24 -7.245 -1.769 -16.791 1.00 62.43 H new ATOM 404 N SER A 25 -8.383 4.260 -12.094 1.00 42.31 N ATOM 405 CA SER A 25 -8.752 5.363 -11.178 1.00 62.34 C ATOM 406 C SER A 25 -8.063 6.668 -11.632 1.00 1.30 C ATOM 407 O SER A 25 -8.726 7.655 -11.969 1.00 11.03 O ATOM 408 CB SER A 25 -8.347 5.015 -9.716 1.00 42.24 C ATOM 409 OG SER A 25 -9.005 3.844 -9.256 1.00 72.42 O ATOM 0 H SER A 25 -7.728 3.594 -11.685 1.00 42.31 H new ATOM 0 HA SER A 25 -9.833 5.503 -11.208 1.00 62.34 H new ATOM 0 HB2 SER A 25 -7.268 4.872 -9.661 1.00 42.24 H new ATOM 0 HB3 SER A 25 -8.591 5.851 -9.061 1.00 42.24 H new ATOM 0 HG SER A 25 -8.599 3.055 -9.672 1.00 72.42 H new ATOM 415 N ASP A 26 -6.723 6.632 -11.661 1.00 12.12 N ATOM 416 CA ASP A 26 -5.886 7.759 -12.079 1.00 5.23 C ATOM 417 C ASP A 26 -4.465 7.271 -12.462 1.00 1.42 C ATOM 418 O ASP A 26 -3.781 6.656 -11.631 1.00 51.23 O ATOM 419 CB ASP A 26 -5.805 8.821 -10.951 1.00 74.24 C ATOM 420 CG ASP A 26 -5.003 10.052 -11.379 1.00 44.32 C ATOM 421 OD1 ASP A 26 -5.540 10.875 -12.147 1.00 61.42 O ATOM 422 OD2 ASP A 26 -3.842 10.211 -10.959 1.00 3.45 O ATOM 0 H ASP A 26 -6.186 5.808 -11.391 1.00 12.12 H new ATOM 0 HA ASP A 26 -6.342 8.217 -12.957 1.00 5.23 H new ATOM 0 HB2 ASP A 26 -6.812 9.125 -10.667 1.00 74.24 H new ATOM 0 HB3 ASP A 26 -5.345 8.378 -10.068 1.00 74.24 H new ATOM 427 N PRO A 27 -3.992 7.548 -13.720 1.00 41.33 N ATOM 428 CA PRO A 27 -2.646 7.110 -14.194 1.00 41.41 C ATOM 429 C PRO A 27 -1.489 7.957 -13.617 1.00 64.14 C ATOM 430 O PRO A 27 -0.328 7.520 -13.641 1.00 32.34 O ATOM 431 CB PRO A 27 -2.761 7.284 -15.732 1.00 20.53 C ATOM 432 CG PRO A 27 -3.698 8.445 -15.901 1.00 21.35 C ATOM 433 CD PRO A 27 -4.731 8.286 -14.799 1.00 54.12 C ATOM 0 HA PRO A 27 -2.404 6.096 -13.875 1.00 41.41 H new ATOM 0 HB2 PRO A 27 -1.790 7.487 -16.184 1.00 20.53 H new ATOM 0 HB3 PRO A 27 -3.152 6.384 -16.207 1.00 20.53 H new ATOM 0 HG2 PRO A 27 -3.169 9.394 -15.811 1.00 21.35 H new ATOM 0 HG3 PRO A 27 -4.167 8.433 -16.885 1.00 21.35 H new ATOM 0 HD2 PRO A 27 -5.093 9.252 -14.447 1.00 54.12 H new ATOM 0 HD3 PRO A 27 -5.601 7.726 -15.143 1.00 54.12 H new ATOM 441 N ASN A 28 -1.813 9.160 -13.094 1.00 63.12 N ATOM 442 CA ASN A 28 -0.800 10.141 -12.629 1.00 24.23 C ATOM 443 C ASN A 28 -0.251 9.752 -11.251 1.00 44.14 C ATOM 444 O ASN A 28 0.834 10.206 -10.861 1.00 32.31 O ATOM 445 CB ASN A 28 -1.386 11.581 -12.592 1.00 61.22 C ATOM 446 CG ASN A 28 -2.064 11.974 -13.905 1.00 10.33 C ATOM 447 OD1 ASN A 28 -1.428 12.485 -14.826 1.00 4.43 O ATOM 448 ND2 ASN A 28 -3.361 11.735 -13.999 1.00 10.32 N ATOM 0 H ASN A 28 -2.775 9.479 -12.982 1.00 63.12 H new ATOM 0 HA ASN A 28 0.023 10.127 -13.344 1.00 24.23 H new ATOM 0 HB2 ASN A 28 -2.108 11.655 -11.778 1.00 61.22 H new ATOM 0 HB3 ASN A 28 -0.587 12.289 -12.374 1.00 61.22 H new ATOM 0 HD21 ASN A 28 -3.863 11.976 -14.854 1.00 10.32 H new ATOM 0 HD22 ASN A 28 -3.859 11.310 -13.217 1.00 10.32 H new ATOM 455 N VAL A 29 -1.032 8.949 -10.504 1.00 41.31 N ATOM 456 CA VAL A 29 -0.580 8.320 -9.255 1.00 24.44 C ATOM 457 C VAL A 29 0.609 7.387 -9.553 1.00 44.32 C ATOM 458 O VAL A 29 0.499 6.505 -10.411 1.00 2.30 O ATOM 459 CB VAL A 29 -1.739 7.503 -8.566 1.00 32.42 C ATOM 460 CG1 VAL A 29 -1.253 6.792 -7.276 1.00 40.03 C ATOM 461 CG2 VAL A 29 -2.960 8.409 -8.276 1.00 24.14 C ATOM 0 H VAL A 29 -1.994 8.720 -10.752 1.00 41.31 H new ATOM 0 HA VAL A 29 -0.273 9.109 -8.568 1.00 24.44 H new ATOM 0 HB VAL A 29 -2.051 6.728 -9.266 1.00 32.42 H new ATOM 0 HG11 VAL A 29 -2.081 6.240 -6.831 1.00 40.03 H new ATOM 0 HG12 VAL A 29 -0.447 6.101 -7.523 1.00 40.03 H new ATOM 0 HG13 VAL A 29 -0.889 7.535 -6.566 1.00 40.03 H new ATOM 0 HG21 VAL A 29 -3.745 7.821 -7.801 1.00 24.14 H new ATOM 0 HG22 VAL A 29 -2.662 9.220 -7.612 1.00 24.14 H new ATOM 0 HG23 VAL A 29 -3.334 8.825 -9.211 1.00 24.14 H new ATOM 471 N LYS A 30 1.739 7.618 -8.865 1.00 60.54 N ATOM 472 CA LYS A 30 2.952 6.794 -9.007 1.00 41.15 C ATOM 473 C LYS A 30 2.669 5.353 -8.531 1.00 31.15 C ATOM 474 O LYS A 30 2.060 5.155 -7.491 1.00 41.22 O ATOM 475 CB LYS A 30 4.126 7.445 -8.214 1.00 0.12 C ATOM 476 CG LYS A 30 5.450 6.633 -8.174 1.00 31.14 C ATOM 477 CD LYS A 30 5.969 6.270 -9.584 1.00 44.53 C ATOM 478 CE LYS A 30 7.199 5.353 -9.560 1.00 71.31 C ATOM 479 NZ LYS A 30 7.482 4.779 -10.903 1.00 0.32 N ATOM 0 H LYS A 30 1.838 8.381 -8.195 1.00 60.54 H new ATOM 0 HA LYS A 30 3.243 6.744 -10.056 1.00 41.15 H new ATOM 0 HB2 LYS A 30 4.335 8.422 -8.649 1.00 0.12 H new ATOM 0 HB3 LYS A 30 3.796 7.616 -7.189 1.00 0.12 H new ATOM 0 HG2 LYS A 30 6.210 7.211 -7.649 1.00 31.14 H new ATOM 0 HG3 LYS A 30 5.294 5.718 -7.602 1.00 31.14 H new ATOM 0 HD2 LYS A 30 5.171 5.781 -10.143 1.00 44.53 H new ATOM 0 HD3 LYS A 30 6.218 7.186 -10.119 1.00 44.53 H new ATOM 0 HE2 LYS A 30 8.066 5.916 -9.214 1.00 71.31 H new ATOM 0 HE3 LYS A 30 7.038 4.546 -8.846 1.00 71.31 H new ATOM 0 HZ1 LYS A 30 8.320 4.165 -10.849 1.00 0.32 H new ATOM 0 HZ2 LYS A 30 6.664 4.221 -11.222 1.00 0.32 H new ATOM 0 HZ3 LYS A 30 7.661 5.549 -11.579 1.00 0.32 H new ATOM 493 N THR A 31 3.061 4.356 -9.333 1.00 13.54 N ATOM 494 CA THR A 31 2.910 2.936 -8.975 1.00 3.24 C ATOM 495 C THR A 31 4.265 2.224 -9.036 1.00 63.45 C ATOM 496 O THR A 31 5.046 2.418 -9.976 1.00 70.13 O ATOM 497 CB THR A 31 1.872 2.226 -9.899 1.00 44.15 C ATOM 498 OG1 THR A 31 2.122 2.564 -11.272 1.00 33.30 O ATOM 499 CG2 THR A 31 0.422 2.593 -9.541 1.00 15.05 C ATOM 0 H THR A 31 3.491 4.507 -10.246 1.00 13.54 H new ATOM 0 HA THR A 31 2.534 2.884 -7.953 1.00 3.24 H new ATOM 0 HB THR A 31 1.992 1.153 -9.747 1.00 44.15 H new ATOM 0 HG1 THR A 31 1.467 2.113 -11.844 1.00 33.30 H new ATOM 0 HG21 THR A 31 -0.261 2.073 -10.213 1.00 15.05 H new ATOM 0 HG22 THR A 31 0.215 2.297 -8.513 1.00 15.05 H new ATOM 0 HG23 THR A 31 0.283 3.669 -9.644 1.00 15.05 H new ATOM 507 N VAL A 32 4.519 1.401 -8.009 1.00 44.14 N ATOM 508 CA VAL A 32 5.793 0.712 -7.774 1.00 41.24 C ATOM 509 C VAL A 32 5.513 -0.751 -7.434 1.00 43.52 C ATOM 510 O VAL A 32 4.654 -1.024 -6.605 1.00 72.33 O ATOM 511 CB VAL A 32 6.573 1.388 -6.569 1.00 35.31 C ATOM 512 CG1 VAL A 32 7.793 0.562 -6.107 1.00 32.11 C ATOM 513 CG2 VAL A 32 6.982 2.835 -6.911 1.00 63.21 C ATOM 0 H VAL A 32 3.820 1.191 -7.297 1.00 44.14 H new ATOM 0 HA VAL A 32 6.406 0.780 -8.673 1.00 41.24 H new ATOM 0 HB VAL A 32 5.879 1.416 -5.729 1.00 35.31 H new ATOM 0 HG11 VAL A 32 8.287 1.074 -5.281 1.00 32.11 H new ATOM 0 HG12 VAL A 32 7.462 -0.423 -5.778 1.00 32.11 H new ATOM 0 HG13 VAL A 32 8.493 0.452 -6.936 1.00 32.11 H new ATOM 0 HG21 VAL A 32 7.515 3.272 -6.066 1.00 63.21 H new ATOM 0 HG22 VAL A 32 7.631 2.832 -7.787 1.00 63.21 H new ATOM 0 HG23 VAL A 32 6.090 3.425 -7.122 1.00 63.21 H new ATOM 523 N ARG A 33 6.226 -1.687 -8.085 1.00 30.13 N ATOM 524 CA ARG A 33 6.309 -3.078 -7.617 1.00 63.25 C ATOM 525 C ARG A 33 7.791 -3.471 -7.505 1.00 50.33 C ATOM 526 O ARG A 33 8.423 -3.882 -8.486 1.00 71.34 O ATOM 527 CB ARG A 33 5.530 -4.081 -8.525 1.00 42.31 C ATOM 528 CG ARG A 33 5.695 -5.556 -8.057 1.00 24.45 C ATOM 529 CD ARG A 33 4.984 -6.608 -8.932 1.00 12.02 C ATOM 530 NE ARG A 33 5.508 -7.956 -8.621 1.00 30.41 N ATOM 531 CZ ARG A 33 4.865 -9.122 -8.781 1.00 30.35 C ATOM 532 NH1 ARG A 33 3.628 -9.174 -9.272 1.00 24.43 N ATOM 533 NH2 ARG A 33 5.488 -10.243 -8.464 1.00 73.33 N ATOM 0 H ARG A 33 6.753 -1.503 -8.938 1.00 30.13 H new ATOM 0 HA ARG A 33 5.827 -3.135 -6.641 1.00 63.25 H new ATOM 0 HB2 ARG A 33 4.472 -3.819 -8.526 1.00 42.31 H new ATOM 0 HB3 ARG A 33 5.883 -3.987 -9.552 1.00 42.31 H new ATOM 0 HG2 ARG A 33 6.758 -5.793 -8.025 1.00 24.45 H new ATOM 0 HG3 ARG A 33 5.319 -5.641 -7.038 1.00 24.45 H new ATOM 0 HD2 ARG A 33 3.909 -6.576 -8.754 1.00 12.02 H new ATOM 0 HD3 ARG A 33 5.139 -6.382 -9.987 1.00 12.02 H new ATOM 0 HE ARG A 33 6.456 -8.004 -8.246 1.00 30.41 H new ATOM 0 HH11 ARG A 33 3.148 -8.314 -9.536 1.00 24.43 H new ATOM 0 HH12 ARG A 33 3.161 -10.074 -9.384 1.00 24.43 H new ATOM 0 HH21 ARG A 33 6.442 -10.212 -8.104 1.00 73.33 H new ATOM 0 HH22 ARG A 33 5.015 -11.139 -8.579 1.00 73.33 H new ATOM 547 N THR A 34 8.366 -3.212 -6.332 1.00 22.41 N ATOM 548 CA THR A 34 9.607 -3.852 -5.868 1.00 5.22 C ATOM 549 C THR A 34 9.318 -4.530 -4.516 1.00 41.54 C ATOM 550 O THR A 34 8.681 -3.924 -3.645 1.00 61.25 O ATOM 551 CB THR A 34 10.807 -2.839 -5.769 1.00 31.34 C ATOM 552 OG1 THR A 34 11.962 -3.493 -5.223 1.00 5.21 O ATOM 553 CG2 THR A 34 10.481 -1.598 -4.930 1.00 15.23 C ATOM 0 H THR A 34 7.982 -2.543 -5.664 1.00 22.41 H new ATOM 0 HA THR A 34 9.921 -4.598 -6.599 1.00 5.22 H new ATOM 0 HB THR A 34 11.007 -2.498 -6.785 1.00 31.34 H new ATOM 0 HG1 THR A 34 12.764 -3.191 -5.698 1.00 5.21 H new ATOM 0 HG21 THR A 34 11.349 -0.940 -4.901 1.00 15.23 H new ATOM 0 HG22 THR A 34 9.639 -1.068 -5.376 1.00 15.23 H new ATOM 0 HG23 THR A 34 10.222 -1.902 -3.916 1.00 15.23 H new ATOM 561 N ASP A 35 9.724 -5.801 -4.360 1.00 22.42 N ATOM 562 CA ASP A 35 9.586 -6.527 -3.081 1.00 43.13 C ATOM 563 C ASP A 35 10.843 -6.338 -2.211 1.00 1.12 C ATOM 564 O ASP A 35 10.877 -6.779 -1.053 1.00 1.31 O ATOM 565 CB ASP A 35 9.246 -8.028 -3.312 1.00 73.21 C ATOM 566 CG ASP A 35 10.339 -8.820 -4.042 1.00 21.31 C ATOM 567 OD1 ASP A 35 11.237 -9.389 -3.377 1.00 20.01 O ATOM 568 OD2 ASP A 35 10.299 -8.883 -5.289 1.00 52.21 O ATOM 0 H ASP A 35 10.152 -6.351 -5.105 1.00 22.42 H new ATOM 0 HA ASP A 35 8.745 -6.101 -2.534 1.00 43.13 H new ATOM 0 HB2 ASP A 35 9.057 -8.498 -2.347 1.00 73.21 H new ATOM 0 HB3 ASP A 35 8.321 -8.095 -3.886 1.00 73.21 H new ATOM 573 N ASP A 36 11.869 -5.670 -2.783 1.00 43.32 N ATOM 574 CA ASP A 36 13.050 -5.214 -2.037 1.00 42.33 C ATOM 575 C ASP A 36 12.620 -4.017 -1.169 1.00 13.40 C ATOM 576 O ASP A 36 12.396 -2.919 -1.696 1.00 55.24 O ATOM 577 CB ASP A 36 14.202 -4.783 -2.990 1.00 42.42 C ATOM 578 CG ASP A 36 14.574 -5.825 -4.058 1.00 11.40 C ATOM 579 OD1 ASP A 36 13.848 -5.929 -5.076 1.00 23.22 O ATOM 580 OD2 ASP A 36 15.614 -6.512 -3.924 1.00 42.43 O ATOM 0 H ASP A 36 11.896 -5.435 -3.775 1.00 43.32 H new ATOM 0 HA ASP A 36 13.427 -6.033 -1.424 1.00 42.33 H new ATOM 0 HB2 ASP A 36 13.916 -3.857 -3.489 1.00 42.42 H new ATOM 0 HB3 ASP A 36 15.087 -4.563 -2.393 1.00 42.42 H new ATOM 585 N LYS A 37 12.486 -4.245 0.149 1.00 14.15 N ATOM 586 CA LYS A 37 11.914 -3.258 1.099 1.00 10.45 C ATOM 587 C LYS A 37 12.719 -1.940 1.184 1.00 22.24 C ATOM 588 O LYS A 37 12.150 -0.886 1.500 1.00 74.15 O ATOM 589 CB LYS A 37 11.740 -3.900 2.499 1.00 43.32 C ATOM 590 CG LYS A 37 13.019 -4.511 3.103 1.00 15.24 C ATOM 591 CD LYS A 37 12.761 -5.191 4.471 1.00 73.22 C ATOM 592 CE LYS A 37 14.010 -5.886 5.027 1.00 5.12 C ATOM 593 NZ LYS A 37 13.710 -6.662 6.256 1.00 73.02 N ATOM 0 H LYS A 37 12.770 -5.119 0.592 1.00 14.15 H new ATOM 0 HA LYS A 37 10.936 -2.978 0.707 1.00 10.45 H new ATOM 0 HB2 LYS A 37 11.360 -3.142 3.184 1.00 43.32 H new ATOM 0 HB3 LYS A 37 10.981 -4.679 2.432 1.00 43.32 H new ATOM 0 HG2 LYS A 37 13.431 -5.243 2.409 1.00 15.24 H new ATOM 0 HG3 LYS A 37 13.769 -3.730 3.225 1.00 15.24 H new ATOM 0 HD2 LYS A 37 12.417 -4.443 5.186 1.00 73.22 H new ATOM 0 HD3 LYS A 37 11.960 -5.922 4.364 1.00 73.22 H new ATOM 0 HE2 LYS A 37 14.423 -6.552 4.269 1.00 5.12 H new ATOM 0 HE3 LYS A 37 14.774 -5.140 5.246 1.00 5.12 H new ATOM 0 HZ1 LYS A 37 14.543 -7.224 6.524 1.00 73.02 H new ATOM 0 HZ2 LYS A 37 13.470 -6.009 7.029 1.00 73.02 H new ATOM 0 HZ3 LYS A 37 12.907 -7.298 6.078 1.00 73.02 H new ATOM 607 N GLU A 38 14.032 -2.005 0.890 1.00 32.22 N ATOM 608 CA GLU A 38 14.903 -0.813 0.845 1.00 52.20 C ATOM 609 C GLU A 38 14.685 -0.035 -0.465 1.00 25.04 C ATOM 610 O GLU A 38 14.665 1.193 -0.466 1.00 43.25 O ATOM 611 CB GLU A 38 16.393 -1.207 0.984 1.00 25.03 C ATOM 612 CG GLU A 38 16.727 -1.984 2.268 1.00 75.53 C ATOM 613 CD GLU A 38 18.228 -2.219 2.449 1.00 23.40 C ATOM 614 OE1 GLU A 38 18.762 -3.177 1.864 1.00 55.44 O ATOM 615 OE2 GLU A 38 18.886 -1.427 3.163 1.00 74.40 O ATOM 0 H GLU A 38 14.516 -2.877 0.679 1.00 32.22 H new ATOM 0 HA GLU A 38 14.637 -0.173 1.686 1.00 52.20 H new ATOM 0 HB2 GLU A 38 16.678 -1.812 0.123 1.00 25.03 H new ATOM 0 HB3 GLU A 38 17.000 -0.302 0.953 1.00 25.03 H new ATOM 0 HG2 GLU A 38 16.344 -1.435 3.128 1.00 75.53 H new ATOM 0 HG3 GLU A 38 16.214 -2.945 2.249 1.00 75.53 H new ATOM 622 N LYS A 39 14.501 -0.775 -1.573 1.00 13.00 N ATOM 623 CA LYS A 39 14.269 -0.186 -2.909 1.00 12.41 C ATOM 624 C LYS A 39 12.908 0.549 -2.947 1.00 60.41 C ATOM 625 O LYS A 39 12.759 1.575 -3.634 1.00 61.21 O ATOM 626 CB LYS A 39 14.362 -1.293 -3.996 1.00 54.11 C ATOM 627 CG LYS A 39 14.264 -0.798 -5.456 1.00 51.22 C ATOM 628 CD LYS A 39 15.401 0.178 -5.834 1.00 72.31 C ATOM 629 CE LYS A 39 15.251 0.706 -7.264 1.00 33.54 C ATOM 630 NZ LYS A 39 13.957 1.419 -7.454 1.00 64.10 N ATOM 0 H LYS A 39 14.508 -1.795 -1.570 1.00 13.00 H new ATOM 0 HA LYS A 39 15.041 0.554 -3.118 1.00 12.41 H new ATOM 0 HB2 LYS A 39 15.307 -1.822 -3.872 1.00 54.11 H new ATOM 0 HB3 LYS A 39 13.566 -2.017 -3.822 1.00 54.11 H new ATOM 0 HG2 LYS A 39 14.289 -1.656 -6.128 1.00 51.22 H new ATOM 0 HG3 LYS A 39 13.303 -0.305 -5.604 1.00 51.22 H new ATOM 0 HD2 LYS A 39 15.407 1.016 -5.137 1.00 72.31 H new ATOM 0 HD3 LYS A 39 16.361 -0.327 -5.733 1.00 72.31 H new ATOM 0 HE2 LYS A 39 16.076 1.382 -7.491 1.00 33.54 H new ATOM 0 HE3 LYS A 39 15.316 -0.124 -7.967 1.00 33.54 H new ATOM 0 HZ1 LYS A 39 13.954 1.892 -8.380 1.00 64.10 H new ATOM 0 HZ2 LYS A 39 13.174 0.735 -7.412 1.00 64.10 H new ATOM 0 HZ3 LYS A 39 13.838 2.128 -6.703 1.00 64.10 H new ATOM 644 N VAL A 40 11.934 0.023 -2.168 1.00 40.14 N ATOM 645 CA VAL A 40 10.648 0.691 -1.917 1.00 45.23 C ATOM 646 C VAL A 40 10.884 2.106 -1.355 1.00 53.14 C ATOM 647 O VAL A 40 10.355 3.078 -1.885 1.00 41.04 O ATOM 648 CB VAL A 40 9.761 -0.128 -0.904 1.00 13.04 C ATOM 649 CG1 VAL A 40 8.457 0.617 -0.569 1.00 72.55 C ATOM 650 CG2 VAL A 40 9.445 -1.552 -1.421 1.00 3.42 C ATOM 0 H VAL A 40 12.024 -0.878 -1.698 1.00 40.14 H new ATOM 0 HA VAL A 40 10.120 0.754 -2.868 1.00 45.23 H new ATOM 0 HB VAL A 40 10.349 -0.229 0.009 1.00 13.04 H new ATOM 0 HG11 VAL A 40 7.869 0.024 0.132 1.00 72.55 H new ATOM 0 HG12 VAL A 40 8.694 1.581 -0.119 1.00 72.55 H new ATOM 0 HG13 VAL A 40 7.883 0.774 -1.482 1.00 72.55 H new ATOM 0 HG21 VAL A 40 8.832 -2.077 -0.689 1.00 3.42 H new ATOM 0 HG22 VAL A 40 8.905 -1.485 -2.365 1.00 3.42 H new ATOM 0 HG23 VAL A 40 10.376 -2.099 -1.574 1.00 3.42 H new ATOM 660 N LYS A 41 11.727 2.180 -0.303 1.00 73.44 N ATOM 661 CA LYS A 41 12.060 3.428 0.416 1.00 1.24 C ATOM 662 C LYS A 41 12.677 4.479 -0.517 1.00 63.51 C ATOM 663 O LYS A 41 12.393 5.673 -0.386 1.00 63.14 O ATOM 664 CB LYS A 41 13.027 3.111 1.577 1.00 10.43 C ATOM 665 CG LYS A 41 12.431 2.192 2.656 1.00 73.35 C ATOM 666 CD LYS A 41 13.451 1.876 3.769 1.00 22.23 C ATOM 667 CE LYS A 41 12.859 1.013 4.881 1.00 70.30 C ATOM 668 NZ LYS A 41 13.863 0.734 5.946 1.00 61.12 N ATOM 0 H LYS A 41 12.203 1.361 0.076 1.00 73.44 H new ATOM 0 HA LYS A 41 11.135 3.848 0.810 1.00 1.24 H new ATOM 0 HB2 LYS A 41 13.924 2.643 1.171 1.00 10.43 H new ATOM 0 HB3 LYS A 41 13.338 4.046 2.043 1.00 10.43 H new ATOM 0 HG2 LYS A 41 11.552 2.667 3.093 1.00 73.35 H new ATOM 0 HG3 LYS A 41 12.095 1.262 2.196 1.00 73.35 H new ATOM 0 HD2 LYS A 41 14.310 1.364 3.335 1.00 22.23 H new ATOM 0 HD3 LYS A 41 13.819 2.809 4.195 1.00 22.23 H new ATOM 0 HE2 LYS A 41 11.996 1.518 5.315 1.00 70.30 H new ATOM 0 HE3 LYS A 41 12.500 0.073 4.462 1.00 70.30 H new ATOM 0 HZ1 LYS A 41 13.621 -0.156 6.427 1.00 61.12 H new ATOM 0 HZ2 LYS A 41 14.808 0.651 5.519 1.00 61.12 H new ATOM 0 HZ3 LYS A 41 13.862 1.512 6.636 1.00 61.12 H new ATOM 682 N GLU A 42 13.504 4.000 -1.463 1.00 51.22 N ATOM 683 CA GLU A 42 14.110 4.838 -2.515 1.00 55.42 C ATOM 684 C GLU A 42 13.013 5.533 -3.342 1.00 24.22 C ATOM 685 O GLU A 42 13.058 6.748 -3.571 1.00 52.42 O ATOM 686 CB GLU A 42 14.990 3.961 -3.440 1.00 34.45 C ATOM 687 CG GLU A 42 16.104 3.175 -2.721 1.00 13.02 C ATOM 688 CD GLU A 42 17.182 4.070 -2.086 1.00 73.33 C ATOM 689 OE1 GLU A 42 18.145 4.447 -2.792 1.00 51.14 O ATOM 690 OE2 GLU A 42 17.071 4.409 -0.890 1.00 74.03 O ATOM 0 H GLU A 42 13.772 3.018 -1.520 1.00 51.22 H new ATOM 0 HA GLU A 42 14.730 5.601 -2.044 1.00 55.42 H new ATOM 0 HB2 GLU A 42 14.348 3.254 -3.965 1.00 34.45 H new ATOM 0 HB3 GLU A 42 15.446 4.600 -4.196 1.00 34.45 H new ATOM 0 HG2 GLU A 42 15.656 2.555 -1.945 1.00 13.02 H new ATOM 0 HG3 GLU A 42 16.578 2.500 -3.434 1.00 13.02 H new ATOM 697 N GLU A 43 12.011 4.729 -3.757 1.00 23.43 N ATOM 698 CA GLU A 43 10.889 5.201 -4.593 1.00 24.10 C ATOM 699 C GLU A 43 9.830 5.993 -3.778 1.00 4.22 C ATOM 700 O GLU A 43 9.089 6.791 -4.363 1.00 24.11 O ATOM 701 CB GLU A 43 10.276 3.997 -5.365 1.00 42.31 C ATOM 702 CG GLU A 43 11.326 3.229 -6.211 1.00 42.14 C ATOM 703 CD GLU A 43 10.764 2.225 -7.231 1.00 55.32 C ATOM 704 OE1 GLU A 43 10.055 2.660 -8.165 1.00 63.00 O ATOM 705 OE2 GLU A 43 11.077 1.011 -7.150 1.00 62.34 O ATOM 0 H GLU A 43 11.958 3.738 -3.522 1.00 23.43 H new ATOM 0 HA GLU A 43 11.275 5.915 -5.320 1.00 24.10 H new ATOM 0 HB2 GLU A 43 9.817 3.311 -4.654 1.00 42.31 H new ATOM 0 HB3 GLU A 43 9.482 4.357 -6.019 1.00 42.31 H new ATOM 0 HG2 GLU A 43 11.936 3.957 -6.746 1.00 42.14 H new ATOM 0 HG3 GLU A 43 11.990 2.694 -5.532 1.00 42.14 H new ATOM 712 N ILE A 44 9.786 5.794 -2.429 1.00 62.12 N ATOM 713 CA ILE A 44 8.932 6.599 -1.510 1.00 41.44 C ATOM 714 C ILE A 44 9.411 8.061 -1.526 1.00 53.24 C ATOM 715 O ILE A 44 8.608 8.996 -1.670 1.00 43.21 O ATOM 716 CB ILE A 44 8.959 6.056 -0.014 1.00 42.15 C ATOM 717 CG1 ILE A 44 8.301 4.643 0.089 1.00 42.03 C ATOM 718 CG2 ILE A 44 8.292 7.049 0.984 1.00 62.42 C ATOM 719 CD1 ILE A 44 8.257 4.054 1.498 1.00 53.51 C ATOM 0 H ILE A 44 10.336 5.078 -1.954 1.00 62.12 H new ATOM 0 HA ILE A 44 7.905 6.520 -1.867 1.00 41.44 H new ATOM 0 HB ILE A 44 10.008 5.966 0.268 1.00 42.15 H new ATOM 0 HG12 ILE A 44 7.283 4.704 -0.295 1.00 42.03 H new ATOM 0 HG13 ILE A 44 8.846 3.957 -0.559 1.00 42.03 H new ATOM 0 HG21 ILE A 44 8.334 6.636 1.992 1.00 62.42 H new ATOM 0 HG22 ILE A 44 8.823 8.001 0.960 1.00 62.42 H new ATOM 0 HG23 ILE A 44 7.252 7.207 0.700 1.00 62.42 H new ATOM 0 HD11 ILE A 44 7.783 3.073 1.468 1.00 53.51 H new ATOM 0 HD12 ILE A 44 9.272 3.955 1.883 1.00 53.51 H new ATOM 0 HD13 ILE A 44 7.685 4.713 2.150 1.00 53.51 H new ATOM 731 N GLU A 45 10.744 8.225 -1.395 1.00 44.23 N ATOM 732 CA GLU A 45 11.400 9.538 -1.408 1.00 73.12 C ATOM 733 C GLU A 45 11.162 10.249 -2.749 1.00 73.30 C ATOM 734 O GLU A 45 10.836 11.434 -2.761 1.00 22.03 O ATOM 735 CB GLU A 45 12.913 9.391 -1.133 1.00 5.24 C ATOM 736 CG GLU A 45 13.248 8.779 0.240 1.00 3.43 C ATOM 737 CD GLU A 45 14.758 8.613 0.466 1.00 44.24 C ATOM 738 OE1 GLU A 45 15.411 9.590 0.902 1.00 55.12 O ATOM 739 OE2 GLU A 45 15.302 7.514 0.216 1.00 2.23 O ATOM 0 H GLU A 45 11.392 7.446 -1.277 1.00 44.23 H new ATOM 0 HA GLU A 45 10.964 10.147 -0.616 1.00 73.12 H new ATOM 0 HB2 GLU A 45 13.354 8.770 -1.913 1.00 5.24 H new ATOM 0 HB3 GLU A 45 13.381 10.373 -1.205 1.00 5.24 H new ATOM 0 HG2 GLU A 45 12.835 9.412 1.025 1.00 3.43 H new ATOM 0 HG3 GLU A 45 12.763 7.807 0.327 1.00 3.43 H new ATOM 746 N LYS A 46 11.287 9.491 -3.864 1.00 22.24 N ATOM 747 CA LYS A 46 11.052 10.018 -5.224 1.00 13.20 C ATOM 748 C LYS A 46 9.610 10.549 -5.375 1.00 64.12 C ATOM 749 O LYS A 46 9.400 11.616 -5.947 1.00 54.20 O ATOM 750 CB LYS A 46 11.340 8.941 -6.307 1.00 21.23 C ATOM 751 CG LYS A 46 12.813 8.470 -6.379 1.00 44.54 C ATOM 752 CD LYS A 46 13.084 7.536 -7.591 1.00 31.54 C ATOM 753 CE LYS A 46 12.897 8.242 -8.955 1.00 13.34 C ATOM 754 NZ LYS A 46 13.178 7.338 -10.109 1.00 64.40 N ATOM 0 H LYS A 46 11.551 8.506 -3.844 1.00 22.24 H new ATOM 0 HA LYS A 46 11.744 10.847 -5.372 1.00 13.20 H new ATOM 0 HB2 LYS A 46 10.705 8.075 -6.116 1.00 21.23 H new ATOM 0 HB3 LYS A 46 11.052 9.339 -7.280 1.00 21.23 H new ATOM 0 HG2 LYS A 46 13.466 9.340 -6.443 1.00 44.54 H new ATOM 0 HG3 LYS A 46 13.069 7.947 -5.458 1.00 44.54 H new ATOM 0 HD2 LYS A 46 14.101 7.150 -7.525 1.00 31.54 H new ATOM 0 HD3 LYS A 46 12.414 6.678 -7.538 1.00 31.54 H new ATOM 0 HE2 LYS A 46 11.876 8.615 -9.030 1.00 13.34 H new ATOM 0 HE3 LYS A 46 13.558 9.108 -9.006 1.00 13.34 H new ATOM 0 HZ1 LYS A 46 13.039 7.858 -10.999 1.00 64.40 H new ATOM 0 HZ2 LYS A 46 14.160 7.001 -10.055 1.00 64.40 H new ATOM 0 HZ3 LYS A 46 12.531 6.524 -10.078 1.00 64.40 H new ATOM 768 N ALA A 47 8.636 9.805 -4.818 1.00 55.13 N ATOM 769 CA ALA A 47 7.209 10.184 -4.855 1.00 24.43 C ATOM 770 C ALA A 47 6.925 11.436 -4.003 1.00 51.30 C ATOM 771 O ALA A 47 6.029 12.221 -4.330 1.00 34.23 O ATOM 772 CB ALA A 47 6.349 9.018 -4.384 1.00 14.21 C ATOM 0 H ALA A 47 8.814 8.927 -4.331 1.00 55.13 H new ATOM 0 HA ALA A 47 6.956 10.428 -5.887 1.00 24.43 H new ATOM 0 HB1 ALA A 47 5.298 9.306 -4.414 1.00 14.21 H new ATOM 0 HB2 ALA A 47 6.509 8.160 -5.037 1.00 14.21 H new ATOM 0 HB3 ALA A 47 6.623 8.753 -3.363 1.00 14.21 H new ATOM 778 N ARG A 48 7.696 11.604 -2.909 1.00 20.22 N ATOM 779 CA ARG A 48 7.617 12.791 -2.036 1.00 21.10 C ATOM 780 C ARG A 48 8.193 14.024 -2.765 1.00 71.54 C ATOM 781 O ARG A 48 7.690 15.142 -2.601 1.00 12.14 O ATOM 782 CB ARG A 48 8.372 12.526 -0.700 1.00 32.15 C ATOM 783 CG ARG A 48 8.352 13.711 0.298 1.00 32.14 C ATOM 784 CD ARG A 48 9.191 13.459 1.566 1.00 33.22 C ATOM 785 NE ARG A 48 9.214 14.647 2.442 1.00 41.14 N ATOM 786 CZ ARG A 48 10.054 14.844 3.475 1.00 44.54 C ATOM 787 NH1 ARG A 48 10.975 13.928 3.798 1.00 60.23 N ATOM 788 NH2 ARG A 48 9.970 15.975 4.171 1.00 25.13 N ATOM 0 H ARG A 48 8.390 10.920 -2.607 1.00 20.22 H new ATOM 0 HA ARG A 48 6.572 12.993 -1.800 1.00 21.10 H new ATOM 0 HB2 ARG A 48 7.933 11.653 -0.217 1.00 32.15 H new ATOM 0 HB3 ARG A 48 9.409 12.277 -0.927 1.00 32.15 H new ATOM 0 HG2 ARG A 48 8.724 14.604 -0.203 1.00 32.14 H new ATOM 0 HG3 ARG A 48 7.321 13.914 0.588 1.00 32.14 H new ATOM 0 HD2 ARG A 48 8.781 12.610 2.113 1.00 33.22 H new ATOM 0 HD3 ARG A 48 10.210 13.194 1.283 1.00 33.22 H new ATOM 0 HE ARG A 48 8.534 15.382 2.248 1.00 41.14 H new ATOM 0 HH11 ARG A 48 11.048 13.066 3.258 1.00 60.23 H new ATOM 0 HH12 ARG A 48 11.604 14.092 4.584 1.00 60.23 H new ATOM 0 HH21 ARG A 48 9.276 16.679 3.919 1.00 25.13 H new ATOM 0 HH22 ARG A 48 10.600 16.138 4.956 1.00 25.13 H new ATOM 802 N LYS A 49 9.237 13.793 -3.592 1.00 24.24 N ATOM 803 CA LYS A 49 9.837 14.836 -4.451 1.00 63.34 C ATOM 804 C LYS A 49 8.839 15.279 -5.544 1.00 34.22 C ATOM 805 O LYS A 49 8.743 16.468 -5.867 1.00 22.50 O ATOM 806 CB LYS A 49 11.156 14.344 -5.117 1.00 44.30 C ATOM 807 CG LYS A 49 12.287 13.911 -4.152 1.00 10.04 C ATOM 808 CD LYS A 49 12.649 14.972 -3.089 1.00 1.33 C ATOM 809 CE LYS A 49 13.111 16.309 -3.699 1.00 70.42 C ATOM 810 NZ LYS A 49 14.366 16.183 -4.492 1.00 74.45 N ATOM 0 H LYS A 49 9.685 12.881 -3.682 1.00 24.24 H new ATOM 0 HA LYS A 49 10.074 15.685 -3.810 1.00 63.34 H new ATOM 0 HB2 LYS A 49 10.919 13.502 -5.767 1.00 44.30 H new ATOM 0 HB3 LYS A 49 11.536 15.142 -5.755 1.00 44.30 H new ATOM 0 HG2 LYS A 49 11.987 12.993 -3.646 1.00 10.04 H new ATOM 0 HG3 LYS A 49 13.178 13.677 -4.735 1.00 10.04 H new ATOM 0 HD2 LYS A 49 11.782 15.151 -2.453 1.00 1.33 H new ATOM 0 HD3 LYS A 49 13.439 14.580 -2.448 1.00 1.33 H new ATOM 0 HE2 LYS A 49 12.321 16.703 -4.339 1.00 70.42 H new ATOM 0 HE3 LYS A 49 13.264 17.034 -2.899 1.00 70.42 H new ATOM 0 HZ1 LYS A 49 14.628 17.113 -4.877 1.00 74.45 H new ATOM 0 HZ2 LYS A 49 15.130 15.834 -3.879 1.00 74.45 H new ATOM 0 HZ3 LYS A 49 14.217 15.514 -5.274 1.00 74.45 H new ATOM 824 N GLN A 50 8.114 14.291 -6.103 1.00 4.41 N ATOM 825 CA GLN A 50 7.015 14.517 -7.065 1.00 33.21 C ATOM 826 C GLN A 50 5.795 15.143 -6.352 1.00 3.14 C ATOM 827 O GLN A 50 4.932 15.748 -7.000 1.00 71.25 O ATOM 828 CB GLN A 50 6.620 13.169 -7.735 1.00 10.12 C ATOM 829 CG GLN A 50 7.733 12.501 -8.572 1.00 21.32 C ATOM 830 CD GLN A 50 7.334 11.124 -9.119 1.00 41.23 C ATOM 831 OE1 GLN A 50 7.544 10.093 -8.471 1.00 15.44 O ATOM 832 NE2 GLN A 50 6.762 11.090 -10.316 1.00 54.32 N ATOM 0 H GLN A 50 8.275 13.305 -5.899 1.00 4.41 H new ATOM 0 HA GLN A 50 7.353 15.210 -7.835 1.00 33.21 H new ATOM 0 HB2 GLN A 50 6.305 12.473 -6.957 1.00 10.12 H new ATOM 0 HB3 GLN A 50 5.757 13.340 -8.378 1.00 10.12 H new ATOM 0 HG2 GLN A 50 7.994 13.154 -9.405 1.00 21.32 H new ATOM 0 HG3 GLN A 50 8.627 12.396 -7.958 1.00 21.32 H new ATOM 0 HE21 GLN A 50 6.601 11.957 -10.829 1.00 54.32 H new ATOM 0 HE22 GLN A 50 6.484 10.197 -10.723 1.00 54.32 H new ATOM 841 N GLY A 51 5.742 14.963 -5.012 1.00 62.23 N ATOM 842 CA GLY A 51 4.706 15.545 -4.158 1.00 54.35 C ATOM 843 C GLY A 51 3.328 14.970 -4.419 1.00 11.21 C ATOM 844 O GLY A 51 2.329 15.674 -4.284 1.00 72.20 O ATOM 0 H GLY A 51 6.425 14.405 -4.500 1.00 62.23 H new ATOM 0 HA2 GLY A 51 4.970 15.380 -3.113 1.00 54.35 H new ATOM 0 HA3 GLY A 51 4.679 16.623 -4.314 1.00 54.35 H new ATOM 848 N ARG A 52 3.277 13.681 -4.772 1.00 34.33 N ATOM 849 CA ARG A 52 2.047 13.011 -5.235 1.00 41.13 C ATOM 850 C ARG A 52 1.853 11.655 -4.512 1.00 43.45 C ATOM 851 O ARG A 52 2.765 11.193 -3.806 1.00 34.23 O ATOM 852 CB ARG A 52 2.129 12.810 -6.773 1.00 70.14 C ATOM 853 CG ARG A 52 3.210 11.815 -7.248 1.00 12.21 C ATOM 854 CD ARG A 52 3.262 11.708 -8.782 1.00 65.31 C ATOM 855 NE ARG A 52 3.514 13.018 -9.421 1.00 20.52 N ATOM 856 CZ ARG A 52 3.985 13.202 -10.667 1.00 43.11 C ATOM 857 NH1 ARG A 52 4.272 12.166 -11.463 1.00 25.23 N ATOM 858 NH2 ARG A 52 4.153 14.442 -11.123 1.00 74.32 N ATOM 0 H ARG A 52 4.090 13.066 -4.746 1.00 34.33 H new ATOM 0 HA ARG A 52 1.185 13.635 -4.998 1.00 41.13 H new ATOM 0 HB2 ARG A 52 1.159 12.466 -7.131 1.00 70.14 H new ATOM 0 HB3 ARG A 52 2.317 13.777 -7.240 1.00 70.14 H new ATOM 0 HG2 ARG A 52 4.184 12.132 -6.874 1.00 12.21 H new ATOM 0 HG3 ARG A 52 3.009 10.832 -6.823 1.00 12.21 H new ATOM 0 HD2 ARG A 52 4.046 11.007 -9.070 1.00 65.31 H new ATOM 0 HD3 ARG A 52 2.320 11.301 -9.149 1.00 65.31 H new ATOM 0 HE ARG A 52 3.314 13.852 -8.870 1.00 20.52 H new ATOM 0 HH11 ARG A 52 4.135 11.212 -11.128 1.00 25.23 H new ATOM 0 HH12 ARG A 52 4.628 12.330 -12.405 1.00 25.23 H new ATOM 0 HH21 ARG A 52 3.925 15.239 -10.529 1.00 74.32 H new ATOM 0 HH22 ARG A 52 4.510 14.595 -12.066 1.00 74.32 H new ATOM 872 N PRO A 53 0.638 11.018 -4.628 1.00 3.32 N ATOM 873 CA PRO A 53 0.427 9.622 -4.171 1.00 62.54 C ATOM 874 C PRO A 53 1.336 8.583 -4.872 1.00 53.35 C ATOM 875 O PRO A 53 1.820 8.791 -5.995 1.00 24.33 O ATOM 876 CB PRO A 53 -1.073 9.349 -4.479 1.00 13.35 C ATOM 877 CG PRO A 53 -1.472 10.412 -5.464 1.00 41.10 C ATOM 878 CD PRO A 53 -0.646 11.621 -5.104 1.00 75.42 C ATOM 0 HA PRO A 53 0.685 9.519 -3.117 1.00 62.54 H new ATOM 0 HB2 PRO A 53 -1.214 8.352 -4.896 1.00 13.35 H new ATOM 0 HB3 PRO A 53 -1.677 9.404 -3.574 1.00 13.35 H new ATOM 0 HG2 PRO A 53 -1.276 10.093 -6.488 1.00 41.10 H new ATOM 0 HG3 PRO A 53 -2.538 10.630 -5.397 1.00 41.10 H new ATOM 0 HD2 PRO A 53 -0.492 12.275 -5.962 1.00 75.42 H new ATOM 0 HD3 PRO A 53 -1.123 12.220 -4.328 1.00 75.42 H new ATOM 886 N ILE A 54 1.518 7.458 -4.179 1.00 13.21 N ATOM 887 CA ILE A 54 2.299 6.312 -4.640 1.00 5.03 C ATOM 888 C ILE A 54 1.661 5.037 -4.068 1.00 10.33 C ATOM 889 O ILE A 54 1.226 5.026 -2.918 1.00 43.01 O ATOM 890 CB ILE A 54 3.818 6.430 -4.226 1.00 12.23 C ATOM 891 CG1 ILE A 54 4.652 5.205 -4.714 1.00 21.03 C ATOM 892 CG2 ILE A 54 3.990 6.641 -2.710 1.00 73.42 C ATOM 893 CD1 ILE A 54 6.139 5.287 -4.390 1.00 21.51 C ATOM 0 H ILE A 54 1.113 7.316 -3.254 1.00 13.21 H new ATOM 0 HA ILE A 54 2.285 6.279 -5.729 1.00 5.03 H new ATOM 0 HB ILE A 54 4.205 7.317 -4.728 1.00 12.23 H new ATOM 0 HG12 ILE A 54 4.244 4.300 -4.264 1.00 21.03 H new ATOM 0 HG13 ILE A 54 4.532 5.106 -5.793 1.00 21.03 H new ATOM 0 HG21 ILE A 54 5.051 6.717 -2.471 1.00 73.42 H new ATOM 0 HG22 ILE A 54 3.484 7.559 -2.411 1.00 73.42 H new ATOM 0 HG23 ILE A 54 3.557 5.797 -2.174 1.00 73.42 H new ATOM 0 HD11 ILE A 54 6.643 4.396 -4.764 1.00 21.51 H new ATOM 0 HD12 ILE A 54 6.566 6.171 -4.863 1.00 21.51 H new ATOM 0 HD13 ILE A 54 6.273 5.353 -3.310 1.00 21.51 H new ATOM 905 N VAL A 55 1.548 3.984 -4.893 1.00 10.23 N ATOM 906 CA VAL A 55 0.980 2.695 -4.478 1.00 61.52 C ATOM 907 C VAL A 55 2.056 1.613 -4.656 1.00 20.23 C ATOM 908 O VAL A 55 2.492 1.336 -5.780 1.00 14.05 O ATOM 909 CB VAL A 55 -0.326 2.335 -5.292 1.00 51.11 C ATOM 910 CG1 VAL A 55 -1.016 1.079 -4.715 1.00 51.04 C ATOM 911 CG2 VAL A 55 -1.315 3.527 -5.334 1.00 73.11 C ATOM 0 H VAL A 55 1.849 4.004 -5.867 1.00 10.23 H new ATOM 0 HA VAL A 55 0.681 2.757 -3.432 1.00 61.52 H new ATOM 0 HB VAL A 55 -0.019 2.116 -6.315 1.00 51.11 H new ATOM 0 HG11 VAL A 55 -1.911 0.856 -5.296 1.00 51.04 H new ATOM 0 HG12 VAL A 55 -0.331 0.232 -4.765 1.00 51.04 H new ATOM 0 HG13 VAL A 55 -1.293 1.261 -3.677 1.00 51.04 H new ATOM 0 HG21 VAL A 55 -2.202 3.244 -5.902 1.00 73.11 H new ATOM 0 HG22 VAL A 55 -1.605 3.795 -4.318 1.00 73.11 H new ATOM 0 HG23 VAL A 55 -0.835 4.381 -5.812 1.00 73.11 H new ATOM 921 N ILE A 56 2.499 1.049 -3.531 1.00 75.50 N ATOM 922 CA ILE A 56 3.541 0.019 -3.473 1.00 21.43 C ATOM 923 C ILE A 56 2.880 -1.366 -3.560 1.00 42.31 C ATOM 924 O ILE A 56 1.914 -1.626 -2.853 1.00 41.43 O ATOM 925 CB ILE A 56 4.348 0.119 -2.123 1.00 25.44 C ATOM 926 CG1 ILE A 56 4.910 1.556 -1.895 1.00 42.03 C ATOM 927 CG2 ILE A 56 5.487 -0.928 -2.064 1.00 13.34 C ATOM 928 CD1 ILE A 56 5.936 2.021 -2.914 1.00 12.23 C ATOM 0 H ILE A 56 2.135 1.301 -2.612 1.00 75.50 H new ATOM 0 HA ILE A 56 4.229 0.167 -4.305 1.00 21.43 H new ATOM 0 HB ILE A 56 3.648 -0.099 -1.317 1.00 25.44 H new ATOM 0 HG12 ILE A 56 4.077 2.259 -1.896 1.00 42.03 H new ATOM 0 HG13 ILE A 56 5.361 1.599 -0.904 1.00 42.03 H new ATOM 0 HG21 ILE A 56 6.022 -0.830 -1.120 1.00 13.34 H new ATOM 0 HG22 ILE A 56 5.064 -1.930 -2.140 1.00 13.34 H new ATOM 0 HG23 ILE A 56 6.177 -0.762 -2.891 1.00 13.34 H new ATOM 0 HD11 ILE A 56 6.263 3.031 -2.666 1.00 12.23 H new ATOM 0 HD12 ILE A 56 6.793 1.348 -2.900 1.00 12.23 H new ATOM 0 HD13 ILE A 56 5.489 2.018 -3.908 1.00 12.23 H new ATOM 940 N PHE A 57 3.416 -2.241 -4.415 1.00 42.51 N ATOM 941 CA PHE A 57 2.927 -3.616 -4.589 1.00 3.22 C ATOM 942 C PHE A 57 4.059 -4.582 -4.241 1.00 22.23 C ATOM 943 O PHE A 57 5.098 -4.589 -4.907 1.00 53.50 O ATOM 944 CB PHE A 57 2.450 -3.851 -6.049 1.00 14.45 C ATOM 945 CG PHE A 57 1.300 -2.949 -6.484 1.00 51.33 C ATOM 946 CD1 PHE A 57 -0.017 -3.278 -6.171 1.00 61.54 C ATOM 947 CD2 PHE A 57 1.535 -1.764 -7.193 1.00 64.23 C ATOM 948 CE1 PHE A 57 -1.057 -2.457 -6.549 1.00 14.42 C ATOM 949 CE2 PHE A 57 0.490 -0.949 -7.571 1.00 22.43 C ATOM 950 CZ PHE A 57 -0.804 -1.296 -7.247 1.00 71.32 C ATOM 0 H PHE A 57 4.210 -2.015 -5.013 1.00 42.51 H new ATOM 0 HA PHE A 57 2.076 -3.785 -3.930 1.00 3.22 H new ATOM 0 HB2 PHE A 57 3.292 -3.698 -6.724 1.00 14.45 H new ATOM 0 HB3 PHE A 57 2.142 -4.891 -6.156 1.00 14.45 H new ATOM 0 HD1 PHE A 57 -0.225 -4.187 -5.626 1.00 61.54 H new ATOM 0 HD2 PHE A 57 2.547 -1.486 -7.446 1.00 64.23 H new ATOM 0 HE1 PHE A 57 -2.073 -2.724 -6.298 1.00 14.42 H new ATOM 0 HE2 PHE A 57 0.685 -0.040 -8.120 1.00 22.43 H new ATOM 0 HZ PHE A 57 -1.623 -0.656 -7.541 1.00 71.32 H new ATOM 960 N ILE A 58 3.877 -5.366 -3.172 1.00 2.32 N ATOM 961 CA ILE A 58 4.867 -6.365 -2.734 1.00 34.33 C ATOM 962 C ILE A 58 4.205 -7.744 -2.632 1.00 73.13 C ATOM 963 O ILE A 58 3.152 -7.890 -1.990 1.00 45.33 O ATOM 964 CB ILE A 58 5.507 -5.990 -1.343 1.00 65.10 C ATOM 965 CG1 ILE A 58 6.126 -4.558 -1.381 1.00 54.32 C ATOM 966 CG2 ILE A 58 6.572 -7.038 -0.923 1.00 74.54 C ATOM 967 CD1 ILE A 58 6.703 -4.080 -0.063 1.00 45.52 C ATOM 0 H ILE A 58 3.043 -5.329 -2.586 1.00 2.32 H new ATOM 0 HA ILE A 58 5.664 -6.384 -3.478 1.00 34.33 H new ATOM 0 HB ILE A 58 4.713 -5.995 -0.597 1.00 65.10 H new ATOM 0 HG12 ILE A 58 6.913 -4.537 -2.135 1.00 54.32 H new ATOM 0 HG13 ILE A 58 5.358 -3.854 -1.702 1.00 54.32 H new ATOM 0 HG21 ILE A 58 6.999 -6.757 0.040 1.00 74.54 H new ATOM 0 HG22 ILE A 58 6.104 -8.019 -0.840 1.00 74.54 H new ATOM 0 HG23 ILE A 58 7.362 -7.075 -1.673 1.00 74.54 H new ATOM 0 HD11 ILE A 58 7.110 -3.076 -0.187 1.00 45.52 H new ATOM 0 HD12 ILE A 58 5.918 -4.063 0.693 1.00 45.52 H new ATOM 0 HD13 ILE A 58 7.497 -4.757 0.254 1.00 45.52 H new ATOM 979 N ARG A 59 4.819 -8.740 -3.293 1.00 11.13 N ATOM 980 CA ARG A 59 4.472 -10.148 -3.112 1.00 13.25 C ATOM 981 C ARG A 59 5.153 -10.681 -1.841 1.00 71.33 C ATOM 982 O ARG A 59 6.376 -10.542 -1.688 1.00 61.21 O ATOM 983 CB ARG A 59 4.913 -10.992 -4.328 1.00 3.54 C ATOM 984 CG ARG A 59 4.607 -12.511 -4.194 1.00 40.04 C ATOM 985 CD ARG A 59 5.437 -13.367 -5.156 1.00 4.21 C ATOM 986 NE ARG A 59 6.888 -13.156 -4.952 1.00 63.33 N ATOM 987 CZ ARG A 59 7.771 -12.803 -5.906 1.00 33.12 C ATOM 988 NH1 ARG A 59 7.378 -12.600 -7.166 1.00 54.01 N ATOM 989 NH2 ARG A 59 9.038 -12.617 -5.573 1.00 21.21 N ATOM 0 H ARG A 59 5.569 -8.585 -3.967 1.00 11.13 H new ATOM 0 HA ARG A 59 3.389 -10.227 -3.017 1.00 13.25 H new ATOM 0 HB2 ARG A 59 4.417 -10.610 -5.220 1.00 3.54 H new ATOM 0 HB3 ARG A 59 5.985 -10.860 -4.478 1.00 3.54 H new ATOM 0 HG2 ARG A 59 4.803 -12.828 -3.170 1.00 40.04 H new ATOM 0 HG3 ARG A 59 3.547 -12.682 -4.383 1.00 40.04 H new ATOM 0 HD2 ARG A 59 5.197 -14.420 -5.008 1.00 4.21 H new ATOM 0 HD3 ARG A 59 5.173 -13.121 -6.185 1.00 4.21 H new ATOM 0 HE ARG A 59 7.250 -13.289 -4.008 1.00 63.33 H new ATOM 0 HH11 ARG A 59 6.396 -12.712 -7.418 1.00 54.01 H new ATOM 0 HH12 ARG A 59 8.060 -12.333 -7.876 1.00 54.01 H new ATOM 0 HH21 ARG A 59 9.334 -12.741 -4.605 1.00 21.21 H new ATOM 0 HH22 ARG A 59 9.718 -12.350 -6.284 1.00 21.21 H new ATOM 1003 N GLY A 60 4.354 -11.260 -0.933 1.00 40.34 N ATOM 1004 CA GLY A 60 4.880 -11.986 0.221 1.00 22.54 C ATOM 1005 C GLY A 60 5.600 -11.122 1.243 1.00 53.23 C ATOM 1006 O GLY A 60 6.603 -11.556 1.827 1.00 13.31 O ATOM 0 H GLY A 60 3.335 -11.236 -0.981 1.00 40.34 H new ATOM 0 HA2 GLY A 60 4.056 -12.499 0.716 1.00 22.54 H new ATOM 0 HA3 GLY A 60 5.567 -12.754 -0.133 1.00 22.54 H new ATOM 1010 N ALA A 61 5.103 -9.891 1.453 1.00 0.21 N ATOM 1011 CA ALA A 61 5.653 -8.986 2.470 1.00 51.52 C ATOM 1012 C ALA A 61 5.319 -9.510 3.874 1.00 44.32 C ATOM 1013 O ALA A 61 4.155 -9.465 4.297 1.00 72.42 O ATOM 1014 CB ALA A 61 5.121 -7.558 2.290 1.00 71.10 C ATOM 0 H ALA A 61 4.319 -9.502 0.929 1.00 0.21 H new ATOM 0 HA ALA A 61 6.736 -8.955 2.349 1.00 51.52 H new ATOM 0 HB1 ALA A 61 5.546 -6.912 3.058 1.00 71.10 H new ATOM 0 HB2 ALA A 61 5.404 -7.186 1.305 1.00 71.10 H new ATOM 0 HB3 ALA A 61 4.035 -7.561 2.379 1.00 71.10 H new ATOM 1020 N THR A 62 6.338 -10.056 4.555 1.00 11.14 N ATOM 1021 CA THR A 62 6.225 -10.484 5.956 1.00 20.14 C ATOM 1022 C THR A 62 6.136 -9.246 6.884 1.00 73.32 C ATOM 1023 O THR A 62 6.442 -8.126 6.452 1.00 60.43 O ATOM 1024 CB THR A 62 7.412 -11.433 6.350 1.00 53.21 C ATOM 1025 OG1 THR A 62 7.188 -12.003 7.651 1.00 52.10 O ATOM 1026 CG2 THR A 62 8.780 -10.724 6.326 1.00 23.00 C ATOM 0 H THR A 62 7.261 -10.213 4.150 1.00 11.14 H new ATOM 0 HA THR A 62 5.307 -11.059 6.079 1.00 20.14 H new ATOM 0 HB THR A 62 7.440 -12.221 5.597 1.00 53.21 H new ATOM 0 HG1 THR A 62 7.935 -12.594 7.882 1.00 52.10 H new ATOM 0 HG21 THR A 62 9.561 -11.431 6.607 1.00 23.00 H new ATOM 0 HG22 THR A 62 8.976 -10.346 5.323 1.00 23.00 H new ATOM 0 HG23 THR A 62 8.772 -9.893 7.031 1.00 23.00 H new ATOM 1034 N GLU A 63 5.728 -9.469 8.146 1.00 73.42 N ATOM 1035 CA GLU A 63 5.402 -8.401 9.130 1.00 13.41 C ATOM 1036 C GLU A 63 6.532 -7.357 9.237 1.00 61.31 C ATOM 1037 O GLU A 63 6.280 -6.148 9.166 1.00 41.35 O ATOM 1038 CB GLU A 63 5.105 -9.077 10.513 1.00 43.34 C ATOM 1039 CG GLU A 63 4.227 -8.279 11.517 1.00 61.22 C ATOM 1040 CD GLU A 63 4.921 -7.071 12.162 1.00 1.41 C ATOM 1041 OE1 GLU A 63 5.789 -7.283 13.040 1.00 5.42 O ATOM 1042 OE2 GLU A 63 4.608 -5.915 11.804 1.00 4.32 O ATOM 0 H GLU A 63 5.611 -10.409 8.525 1.00 73.42 H new ATOM 0 HA GLU A 63 4.520 -7.855 8.794 1.00 13.41 H new ATOM 0 HB2 GLU A 63 4.618 -10.034 10.324 1.00 43.34 H new ATOM 0 HB3 GLU A 63 6.058 -9.294 10.995 1.00 43.34 H new ATOM 0 HG2 GLU A 63 3.332 -7.932 11.000 1.00 61.22 H new ATOM 0 HG3 GLU A 63 3.897 -8.955 12.306 1.00 61.22 H new ATOM 1049 N GLU A 64 7.778 -7.854 9.327 1.00 23.21 N ATOM 1050 CA GLU A 64 8.970 -7.016 9.542 1.00 51.14 C ATOM 1051 C GLU A 64 9.369 -6.211 8.285 1.00 24.51 C ATOM 1052 O GLU A 64 10.140 -5.262 8.392 1.00 23.34 O ATOM 1053 CB GLU A 64 10.130 -7.884 10.093 1.00 2.33 C ATOM 1054 CG GLU A 64 10.702 -8.971 9.146 1.00 42.14 C ATOM 1055 CD GLU A 64 11.787 -8.476 8.175 1.00 45.03 C ATOM 1056 OE1 GLU A 64 12.796 -7.906 8.647 1.00 12.31 O ATOM 1057 OE2 GLU A 64 11.660 -8.687 6.950 1.00 54.23 O ATOM 0 H GLU A 64 7.987 -8.850 9.253 1.00 23.21 H new ATOM 0 HA GLU A 64 8.725 -6.262 10.291 1.00 51.14 H new ATOM 0 HB2 GLU A 64 10.945 -7.219 10.379 1.00 2.33 H new ATOM 0 HB3 GLU A 64 9.785 -8.374 11.003 1.00 2.33 H new ATOM 0 HG2 GLU A 64 11.116 -9.778 9.751 1.00 42.14 H new ATOM 0 HG3 GLU A 64 9.882 -9.396 8.566 1.00 42.14 H new ATOM 1064 N VAL A 65 8.889 -6.636 7.093 1.00 12.32 N ATOM 1065 CA VAL A 65 8.984 -5.834 5.848 1.00 2.20 C ATOM 1066 C VAL A 65 8.005 -4.646 5.919 1.00 43.25 C ATOM 1067 O VAL A 65 8.404 -3.480 5.787 1.00 24.32 O ATOM 1068 CB VAL A 65 8.670 -6.720 4.569 1.00 61.30 C ATOM 1069 CG1 VAL A 65 8.511 -5.881 3.274 1.00 62.12 C ATOM 1070 CG2 VAL A 65 9.739 -7.817 4.371 1.00 0.44 C ATOM 0 H VAL A 65 8.428 -7.537 6.966 1.00 12.32 H new ATOM 0 HA VAL A 65 10.004 -5.461 5.758 1.00 2.20 H new ATOM 0 HB VAL A 65 7.708 -7.195 4.761 1.00 61.30 H new ATOM 0 HG11 VAL A 65 8.298 -6.544 2.435 1.00 62.12 H new ATOM 0 HG12 VAL A 65 7.690 -5.175 3.397 1.00 62.12 H new ATOM 0 HG13 VAL A 65 9.434 -5.334 3.079 1.00 62.12 H new ATOM 0 HG21 VAL A 65 9.496 -8.407 3.487 1.00 0.44 H new ATOM 0 HG22 VAL A 65 10.717 -7.353 4.240 1.00 0.44 H new ATOM 0 HG23 VAL A 65 9.760 -8.467 5.246 1.00 0.44 H new ATOM 1080 N VAL A 66 6.723 -4.969 6.187 1.00 63.22 N ATOM 1081 CA VAL A 66 5.618 -4.001 6.079 1.00 24.22 C ATOM 1082 C VAL A 66 5.778 -2.855 7.093 1.00 44.11 C ATOM 1083 O VAL A 66 5.806 -1.691 6.698 1.00 64.15 O ATOM 1084 CB VAL A 66 4.224 -4.689 6.269 1.00 1.35 C ATOM 1085 CG1 VAL A 66 3.065 -3.714 5.931 1.00 65.31 C ATOM 1086 CG2 VAL A 66 4.120 -5.994 5.446 1.00 25.12 C ATOM 0 H VAL A 66 6.429 -5.900 6.482 1.00 63.22 H new ATOM 0 HA VAL A 66 5.660 -3.586 5.072 1.00 24.22 H new ATOM 0 HB VAL A 66 4.132 -4.959 7.321 1.00 1.35 H new ATOM 0 HG11 VAL A 66 2.110 -4.221 6.072 1.00 65.31 H new ATOM 0 HG12 VAL A 66 3.116 -2.846 6.589 1.00 65.31 H new ATOM 0 HG13 VAL A 66 3.153 -3.389 4.894 1.00 65.31 H new ATOM 0 HG21 VAL A 66 3.140 -6.445 5.601 1.00 25.12 H new ATOM 0 HG22 VAL A 66 4.252 -5.768 4.388 1.00 25.12 H new ATOM 0 HG23 VAL A 66 4.895 -6.690 5.768 1.00 25.12 H new ATOM 1096 N ARG A 67 5.932 -3.215 8.391 1.00 1.12 N ATOM 1097 CA ARG A 67 6.071 -2.237 9.501 1.00 12.45 C ATOM 1098 C ARG A 67 7.265 -1.279 9.267 1.00 15.52 C ATOM 1099 O ARG A 67 7.207 -0.099 9.622 1.00 33.23 O ATOM 1100 CB ARG A 67 6.234 -2.975 10.869 1.00 23.20 C ATOM 1101 CG ARG A 67 7.579 -3.726 11.043 1.00 53.24 C ATOM 1102 CD ARG A 67 7.733 -4.440 12.398 1.00 42.45 C ATOM 1103 NE ARG A 67 9.095 -4.980 12.567 1.00 54.11 N ATOM 1104 CZ ARG A 67 9.431 -6.095 13.243 1.00 64.41 C ATOM 1105 NH1 ARG A 67 8.513 -6.851 13.840 1.00 32.15 N ATOM 1106 NH2 ARG A 67 10.708 -6.445 13.319 1.00 34.21 N ATOM 0 H ARG A 67 5.963 -4.187 8.698 1.00 1.12 H new ATOM 0 HA ARG A 67 5.159 -1.640 9.528 1.00 12.45 H new ATOM 0 HB2 ARG A 67 6.133 -2.247 11.674 1.00 23.20 H new ATOM 0 HB3 ARG A 67 5.418 -3.689 10.981 1.00 23.20 H new ATOM 0 HG2 ARG A 67 7.677 -4.461 10.244 1.00 53.24 H new ATOM 0 HG3 ARG A 67 8.397 -3.015 10.925 1.00 53.24 H new ATOM 0 HD2 ARG A 67 7.513 -3.742 13.206 1.00 42.45 H new ATOM 0 HD3 ARG A 67 7.007 -5.250 12.469 1.00 42.45 H new ATOM 0 HE ARG A 67 9.855 -4.459 12.130 1.00 54.11 H new ATOM 0 HH11 ARG A 67 7.528 -6.591 13.792 1.00 32.15 H new ATOM 0 HH12 ARG A 67 8.794 -7.691 14.346 1.00 32.15 H new ATOM 0 HH21 ARG A 67 11.422 -5.872 12.869 1.00 34.21 H new ATOM 0 HH22 ARG A 67 10.977 -7.287 13.828 1.00 34.21 H new ATOM 1120 N ASP A 68 8.314 -1.820 8.624 1.00 2.33 N ATOM 1121 CA ASP A 68 9.599 -1.145 8.392 1.00 21.31 C ATOM 1122 C ASP A 68 9.454 -0.043 7.323 1.00 31.30 C ATOM 1123 O ASP A 68 10.045 1.037 7.430 1.00 51.45 O ATOM 1124 CB ASP A 68 10.622 -2.223 7.959 1.00 12.11 C ATOM 1125 CG ASP A 68 12.073 -1.745 7.900 1.00 62.33 C ATOM 1126 OD1 ASP A 68 12.667 -1.735 6.808 1.00 52.50 O ATOM 1127 OD2 ASP A 68 12.641 -1.408 8.961 1.00 74.15 O ATOM 0 H ASP A 68 8.289 -2.765 8.241 1.00 2.33 H new ATOM 0 HA ASP A 68 9.942 -0.653 9.302 1.00 21.31 H new ATOM 0 HB2 ASP A 68 10.559 -3.062 8.652 1.00 12.11 H new ATOM 0 HB3 ASP A 68 10.338 -2.599 6.976 1.00 12.11 H new ATOM 1132 N ILE A 69 8.648 -0.349 6.297 1.00 14.12 N ATOM 1133 CA ILE A 69 8.328 0.580 5.199 1.00 4.21 C ATOM 1134 C ILE A 69 7.276 1.639 5.627 1.00 1.14 C ATOM 1135 O ILE A 69 7.397 2.820 5.272 1.00 23.22 O ATOM 1136 CB ILE A 69 7.803 -0.231 3.960 1.00 11.25 C ATOM 1137 CG1 ILE A 69 8.887 -1.240 3.457 1.00 61.32 C ATOM 1138 CG2 ILE A 69 7.341 0.699 2.817 1.00 23.12 C ATOM 1139 CD1 ILE A 69 8.401 -2.177 2.372 1.00 12.10 C ATOM 0 H ILE A 69 8.194 -1.258 6.203 1.00 14.12 H new ATOM 0 HA ILE A 69 9.240 1.114 4.932 1.00 4.21 H new ATOM 0 HB ILE A 69 6.931 -0.798 4.287 1.00 11.25 H new ATOM 0 HG12 ILE A 69 9.744 -0.680 3.082 1.00 61.32 H new ATOM 0 HG13 ILE A 69 9.238 -1.831 4.303 1.00 61.32 H new ATOM 0 HG21 ILE A 69 6.986 0.098 1.980 1.00 23.12 H new ATOM 0 HG22 ILE A 69 6.534 1.339 3.173 1.00 23.12 H new ATOM 0 HG23 ILE A 69 8.177 1.317 2.490 1.00 23.12 H new ATOM 0 HD11 ILE A 69 9.211 -2.844 2.078 1.00 12.10 H new ATOM 0 HD12 ILE A 69 7.564 -2.766 2.748 1.00 12.10 H new ATOM 0 HD13 ILE A 69 8.077 -1.597 1.508 1.00 12.10 H new ATOM 1151 N VAL A 70 6.255 1.202 6.393 1.00 3.41 N ATOM 1152 CA VAL A 70 5.143 2.069 6.845 1.00 33.40 C ATOM 1153 C VAL A 70 5.667 3.222 7.731 1.00 30.04 C ATOM 1154 O VAL A 70 5.354 4.395 7.476 1.00 12.32 O ATOM 1155 CB VAL A 70 4.039 1.221 7.596 1.00 13.12 C ATOM 1156 CG1 VAL A 70 2.999 2.108 8.319 1.00 65.44 C ATOM 1157 CG2 VAL A 70 3.323 0.252 6.620 1.00 71.24 C ATOM 0 H VAL A 70 6.177 0.238 6.717 1.00 3.41 H new ATOM 0 HA VAL A 70 4.679 2.514 5.965 1.00 33.40 H new ATOM 0 HB VAL A 70 4.561 0.641 8.357 1.00 13.12 H new ATOM 0 HG11 VAL A 70 2.265 1.475 8.818 1.00 65.44 H new ATOM 0 HG12 VAL A 70 3.503 2.731 9.058 1.00 65.44 H new ATOM 0 HG13 VAL A 70 2.495 2.744 7.592 1.00 65.44 H new ATOM 0 HG21 VAL A 70 2.569 -0.319 7.162 1.00 71.24 H new ATOM 0 HG22 VAL A 70 2.844 0.824 5.826 1.00 71.24 H new ATOM 0 HG23 VAL A 70 4.052 -0.431 6.185 1.00 71.24 H new ATOM 1167 N GLU A 71 6.510 2.872 8.729 1.00 44.14 N ATOM 1168 CA GLU A 71 7.093 3.852 9.672 1.00 41.21 C ATOM 1169 C GLU A 71 8.035 4.835 8.952 1.00 23.02 C ATOM 1170 O GLU A 71 8.206 5.978 9.388 1.00 63.43 O ATOM 1171 CB GLU A 71 7.815 3.118 10.833 1.00 31.20 C ATOM 1172 CG GLU A 71 9.112 2.336 10.462 1.00 24.35 C ATOM 1173 CD GLU A 71 10.422 3.097 10.752 1.00 63.54 C ATOM 1174 OE1 GLU A 71 10.866 3.104 11.921 1.00 34.23 O ATOM 1175 OE2 GLU A 71 11.012 3.693 9.827 1.00 2.21 O ATOM 0 H GLU A 71 6.803 1.910 8.902 1.00 44.14 H new ATOM 0 HA GLU A 71 6.281 4.443 10.096 1.00 41.21 H new ATOM 0 HB2 GLU A 71 8.067 3.853 11.597 1.00 31.20 H new ATOM 0 HB3 GLU A 71 7.112 2.418 11.284 1.00 31.20 H new ATOM 0 HG2 GLU A 71 9.124 1.395 11.012 1.00 24.35 H new ATOM 0 HG3 GLU A 71 9.079 2.085 9.402 1.00 24.35 H new ATOM 1182 N TYR A 72 8.634 4.364 7.844 1.00 12.23 N ATOM 1183 CA TYR A 72 9.541 5.157 7.010 1.00 32.02 C ATOM 1184 C TYR A 72 8.767 6.257 6.265 1.00 60.34 C ATOM 1185 O TYR A 72 9.209 7.408 6.193 1.00 31.40 O ATOM 1186 CB TYR A 72 10.272 4.234 6.006 1.00 3.42 C ATOM 1187 CG TYR A 72 11.328 4.959 5.171 1.00 14.32 C ATOM 1188 CD1 TYR A 72 12.627 5.127 5.652 1.00 44.14 C ATOM 1189 CD2 TYR A 72 11.017 5.508 3.919 1.00 10.25 C ATOM 1190 CE1 TYR A 72 13.571 5.810 4.923 1.00 55.33 C ATOM 1191 CE2 TYR A 72 11.961 6.188 3.185 1.00 10.43 C ATOM 1192 CZ TYR A 72 13.236 6.338 3.698 1.00 22.42 C ATOM 1193 OH TYR A 72 14.179 7.028 2.994 1.00 54.32 O ATOM 0 H TYR A 72 8.498 3.412 7.503 1.00 12.23 H new ATOM 0 HA TYR A 72 10.280 5.637 7.651 1.00 32.02 H new ATOM 0 HB2 TYR A 72 10.748 3.420 6.553 1.00 3.42 H new ATOM 0 HB3 TYR A 72 9.538 3.783 5.338 1.00 3.42 H new ATOM 0 HD1 TYR A 72 12.895 4.714 6.613 1.00 44.14 H new ATOM 0 HD2 TYR A 72 10.018 5.395 3.524 1.00 10.25 H new ATOM 0 HE1 TYR A 72 14.572 5.932 5.311 1.00 55.33 H new ATOM 0 HE2 TYR A 72 11.709 6.600 2.219 1.00 10.43 H new ATOM 0 HH TYR A 72 15.069 6.676 3.206 1.00 54.32 H new ATOM 1203 N ALA A 73 7.618 5.869 5.696 1.00 41.03 N ATOM 1204 CA ALA A 73 6.714 6.791 4.993 1.00 12.22 C ATOM 1205 C ALA A 73 6.159 7.863 5.954 1.00 21.53 C ATOM 1206 O ALA A 73 5.889 8.997 5.554 1.00 21.04 O ATOM 1207 CB ALA A 73 5.579 5.995 4.348 1.00 64.24 C ATOM 0 H ALA A 73 7.288 4.904 5.710 1.00 41.03 H new ATOM 0 HA ALA A 73 7.273 7.310 4.214 1.00 12.22 H new ATOM 0 HB1 ALA A 73 4.907 6.677 3.826 1.00 64.24 H new ATOM 0 HB2 ALA A 73 5.994 5.280 3.638 1.00 64.24 H new ATOM 0 HB3 ALA A 73 5.025 5.460 5.120 1.00 64.24 H new ATOM 1213 N GLN A 74 6.011 7.471 7.231 1.00 21.11 N ATOM 1214 CA GLN A 74 5.570 8.361 8.311 1.00 1.22 C ATOM 1215 C GLN A 74 6.683 9.340 8.734 1.00 20.14 C ATOM 1216 O GLN A 74 6.382 10.471 9.118 1.00 70.41 O ATOM 1217 CB GLN A 74 5.104 7.521 9.513 1.00 71.21 C ATOM 1218 CG GLN A 74 3.839 6.675 9.245 1.00 50.14 C ATOM 1219 CD GLN A 74 3.505 5.768 10.419 1.00 44.24 C ATOM 1220 OE1 GLN A 74 3.909 4.609 10.470 1.00 75.33 O ATOM 1221 NE2 GLN A 74 2.809 6.296 11.392 1.00 40.03 N ATOM 0 H GLN A 74 6.197 6.518 7.542 1.00 21.11 H new ATOM 0 HA GLN A 74 4.737 8.960 7.941 1.00 1.22 H new ATOM 0 HB2 GLN A 74 5.914 6.857 9.813 1.00 71.21 H new ATOM 0 HB3 GLN A 74 4.910 8.187 10.354 1.00 71.21 H new ATOM 0 HG2 GLN A 74 2.996 7.336 9.045 1.00 50.14 H new ATOM 0 HG3 GLN A 74 3.989 6.071 8.350 1.00 50.14 H new ATOM 0 HE21 GLN A 74 2.486 7.261 11.323 1.00 40.03 H new ATOM 0 HE22 GLN A 74 2.589 5.743 12.220 1.00 40.03 H new ATOM 1230 N LYS A 75 7.959 8.890 8.663 1.00 34.21 N ATOM 1231 CA LYS A 75 9.141 9.766 8.869 1.00 13.01 C ATOM 1232 C LYS A 75 9.132 10.930 7.856 1.00 30.31 C ATOM 1233 O LYS A 75 9.511 12.059 8.177 1.00 64.01 O ATOM 1234 CB LYS A 75 10.475 8.968 8.721 1.00 20.01 C ATOM 1235 CG LYS A 75 10.857 8.063 9.914 1.00 2.40 C ATOM 1236 CD LYS A 75 12.178 7.293 9.647 1.00 71.51 C ATOM 1237 CE LYS A 75 12.825 6.742 10.930 1.00 52.01 C ATOM 1238 NZ LYS A 75 11.928 5.824 11.684 1.00 74.52 N ATOM 0 H LYS A 75 8.198 7.919 8.463 1.00 34.21 H new ATOM 0 HA LYS A 75 9.081 10.161 9.883 1.00 13.01 H new ATOM 0 HB2 LYS A 75 10.408 8.348 7.827 1.00 20.01 H new ATOM 0 HB3 LYS A 75 11.285 9.679 8.556 1.00 20.01 H new ATOM 0 HG2 LYS A 75 10.965 8.671 10.813 1.00 2.40 H new ATOM 0 HG3 LYS A 75 10.053 7.352 10.104 1.00 2.40 H new ATOM 0 HD2 LYS A 75 11.979 6.467 8.964 1.00 71.51 H new ATOM 0 HD3 LYS A 75 12.884 7.957 9.147 1.00 71.51 H new ATOM 0 HE2 LYS A 75 13.742 6.213 10.670 1.00 52.01 H new ATOM 0 HE3 LYS A 75 13.109 7.574 11.574 1.00 52.01 H new ATOM 0 HZ1 LYS A 75 11.706 6.239 12.611 1.00 74.52 H new ATOM 0 HZ2 LYS A 75 11.048 5.682 11.149 1.00 74.52 H new ATOM 0 HZ3 LYS A 75 12.403 4.909 11.819 1.00 74.52 H new ATOM 1252 N GLU A 76 8.677 10.624 6.632 1.00 23.44 N ATOM 1253 CA GLU A 76 8.580 11.594 5.528 1.00 21.42 C ATOM 1254 C GLU A 76 7.353 12.521 5.677 1.00 30.43 C ATOM 1255 O GLU A 76 7.229 13.503 4.938 1.00 30.11 O ATOM 1256 CB GLU A 76 8.531 10.823 4.183 1.00 31.51 C ATOM 1257 CG GLU A 76 9.728 9.879 3.934 1.00 21.44 C ATOM 1258 CD GLU A 76 11.088 10.604 3.899 1.00 34.44 C ATOM 1259 OE1 GLU A 76 11.492 11.091 2.819 1.00 4.30 O ATOM 1260 OE2 GLU A 76 11.753 10.708 4.955 1.00 21.54 O ATOM 0 H GLU A 76 8.363 9.688 6.377 1.00 23.44 H new ATOM 0 HA GLU A 76 9.460 12.237 5.552 1.00 21.42 H new ATOM 0 HB2 GLU A 76 7.612 10.238 4.149 1.00 31.51 H new ATOM 0 HB3 GLU A 76 8.480 11.545 3.368 1.00 31.51 H new ATOM 0 HG2 GLU A 76 9.750 9.120 4.716 1.00 21.44 H new ATOM 0 HG3 GLU A 76 9.579 9.358 2.988 1.00 21.44 H new ATOM 1267 N GLY A 77 6.456 12.197 6.633 1.00 2.44 N ATOM 1268 CA GLY A 77 5.251 12.996 6.899 1.00 73.54 C ATOM 1269 C GLY A 77 4.112 12.698 5.934 1.00 33.52 C ATOM 1270 O GLY A 77 3.204 13.521 5.759 1.00 3.12 O ATOM 0 H GLY A 77 6.550 11.379 7.236 1.00 2.44 H new ATOM 0 HA2 GLY A 77 4.915 12.807 7.918 1.00 73.54 H new ATOM 0 HA3 GLY A 77 5.503 14.055 6.838 1.00 73.54 H new ATOM 1274 N LEU A 78 4.164 11.511 5.305 1.00 20.20 N ATOM 1275 CA LEU A 78 3.203 11.100 4.265 1.00 63.20 C ATOM 1276 C LEU A 78 2.077 10.247 4.893 1.00 20.43 C ATOM 1277 O LEU A 78 2.306 9.532 5.878 1.00 34.42 O ATOM 1278 CB LEU A 78 3.942 10.315 3.137 1.00 50.14 C ATOM 1279 CG LEU A 78 5.253 10.974 2.578 1.00 35.12 C ATOM 1280 CD1 LEU A 78 5.841 10.171 1.399 1.00 0.33 C ATOM 1281 CD2 LEU A 78 5.050 12.453 2.195 1.00 10.32 C ATOM 0 H LEU A 78 4.875 10.807 5.504 1.00 20.20 H new ATOM 0 HA LEU A 78 2.750 11.986 3.821 1.00 63.20 H new ATOM 0 HB2 LEU A 78 4.192 9.324 3.516 1.00 50.14 H new ATOM 0 HB3 LEU A 78 3.249 10.174 2.308 1.00 50.14 H new ATOM 0 HG LEU A 78 5.978 10.950 3.391 1.00 35.12 H new ATOM 0 HD11 LEU A 78 6.747 10.660 1.041 1.00 0.33 H new ATOM 0 HD12 LEU A 78 6.081 9.161 1.731 1.00 0.33 H new ATOM 0 HD13 LEU A 78 5.111 10.124 0.591 1.00 0.33 H new ATOM 0 HD21 LEU A 78 5.986 12.862 1.814 1.00 10.32 H new ATOM 0 HD22 LEU A 78 4.282 12.527 1.425 1.00 10.32 H new ATOM 0 HD23 LEU A 78 4.739 13.017 3.074 1.00 10.32 H new ATOM 1293 N ARG A 79 0.864 10.354 4.325 1.00 52.24 N ATOM 1294 CA ARG A 79 -0.332 9.628 4.797 1.00 65.34 C ATOM 1295 C ARG A 79 -0.272 8.171 4.298 1.00 72.33 C ATOM 1296 O ARG A 79 -0.133 7.945 3.095 1.00 2.31 O ATOM 1297 CB ARG A 79 -1.596 10.351 4.260 1.00 12.52 C ATOM 1298 CG ARG A 79 -2.950 9.786 4.759 1.00 2.23 C ATOM 1299 CD ARG A 79 -4.157 10.541 4.164 1.00 34.13 C ATOM 1300 NE ARG A 79 -4.116 11.998 4.458 1.00 75.13 N ATOM 1301 CZ ARG A 79 -4.262 12.981 3.546 1.00 34.41 C ATOM 1302 NH1 ARG A 79 -4.460 12.698 2.260 1.00 13.44 N ATOM 1303 NH2 ARG A 79 -4.222 14.248 3.931 1.00 51.42 N ATOM 0 H ARG A 79 0.682 10.951 3.518 1.00 52.24 H new ATOM 0 HA ARG A 79 -0.370 9.615 5.886 1.00 65.34 H new ATOM 0 HB2 ARG A 79 -1.537 11.403 4.538 1.00 12.52 H new ATOM 0 HB3 ARG A 79 -1.583 10.307 3.171 1.00 12.52 H new ATOM 0 HG2 ARG A 79 -3.019 8.731 4.496 1.00 2.23 H new ATOM 0 HG3 ARG A 79 -2.987 9.846 5.847 1.00 2.23 H new ATOM 0 HD2 ARG A 79 -4.179 10.392 3.085 1.00 34.13 H new ATOM 0 HD3 ARG A 79 -5.079 10.118 4.563 1.00 34.13 H new ATOM 0 HE ARG A 79 -3.965 12.277 5.428 1.00 75.13 H new ATOM 0 HH11 ARG A 79 -4.503 11.726 1.952 1.00 13.44 H new ATOM 0 HH12 ARG A 79 -4.569 13.453 1.583 1.00 13.44 H new ATOM 0 HH21 ARG A 79 -4.081 14.478 4.915 1.00 51.42 H new ATOM 0 HH22 ARG A 79 -4.332 14.994 3.244 1.00 51.42 H new ATOM 1317 N VAL A 80 -0.351 7.185 5.217 1.00 10.54 N ATOM 1318 CA VAL A 80 -0.178 5.755 4.869 1.00 11.45 C ATOM 1319 C VAL A 80 -1.528 5.003 4.924 1.00 41.31 C ATOM 1320 O VAL A 80 -2.180 4.948 5.974 1.00 72.31 O ATOM 1321 CB VAL A 80 0.883 5.044 5.794 1.00 65.44 C ATOM 1322 CG1 VAL A 80 1.192 3.617 5.278 1.00 2.34 C ATOM 1323 CG2 VAL A 80 2.178 5.885 5.909 1.00 42.51 C ATOM 0 H VAL A 80 -0.534 7.352 6.207 1.00 10.54 H new ATOM 0 HA VAL A 80 0.200 5.722 3.847 1.00 11.45 H new ATOM 0 HB VAL A 80 0.454 4.958 6.792 1.00 65.44 H new ATOM 0 HG11 VAL A 80 1.926 3.145 5.931 1.00 2.34 H new ATOM 0 HG12 VAL A 80 0.277 3.025 5.274 1.00 2.34 H new ATOM 0 HG13 VAL A 80 1.591 3.675 4.265 1.00 2.34 H new ATOM 0 HG21 VAL A 80 2.891 5.370 6.553 1.00 42.51 H new ATOM 0 HG22 VAL A 80 2.614 6.019 4.919 1.00 42.51 H new ATOM 0 HG23 VAL A 80 1.942 6.860 6.336 1.00 42.51 H new ATOM 1333 N LEU A 81 -1.931 4.461 3.761 1.00 13.10 N ATOM 1334 CA LEU A 81 -3.148 3.648 3.580 1.00 42.35 C ATOM 1335 C LEU A 81 -2.694 2.212 3.244 1.00 14.12 C ATOM 1336 O LEU A 81 -2.010 2.018 2.254 1.00 21.35 O ATOM 1337 CB LEU A 81 -4.026 4.190 2.398 1.00 2.24 C ATOM 1338 CG LEU A 81 -4.555 5.667 2.446 1.00 40.51 C ATOM 1339 CD1 LEU A 81 -5.362 5.956 3.713 1.00 62.23 C ATOM 1340 CD2 LEU A 81 -3.431 6.696 2.248 1.00 51.54 C ATOM 0 H LEU A 81 -1.404 4.580 2.896 1.00 13.10 H new ATOM 0 HA LEU A 81 -3.748 3.684 4.489 1.00 42.35 H new ATOM 0 HB2 LEU A 81 -3.445 4.080 1.482 1.00 2.24 H new ATOM 0 HB3 LEU A 81 -4.892 3.535 2.307 1.00 2.24 H new ATOM 0 HG LEU A 81 -5.237 5.771 1.602 1.00 40.51 H new ATOM 0 HD11 LEU A 81 -5.705 6.990 3.698 1.00 62.23 H new ATOM 0 HD12 LEU A 81 -6.223 5.289 3.756 1.00 62.23 H new ATOM 0 HD13 LEU A 81 -4.734 5.795 4.589 1.00 62.23 H new ATOM 0 HD21 LEU A 81 -3.848 7.702 2.289 1.00 51.54 H new ATOM 0 HD22 LEU A 81 -2.687 6.578 3.036 1.00 51.54 H new ATOM 0 HD23 LEU A 81 -2.960 6.538 1.278 1.00 51.54 H new ATOM 1352 N VAL A 82 -3.068 1.209 4.045 1.00 22.53 N ATOM 1353 CA VAL A 82 -2.545 -0.171 3.894 1.00 5.05 C ATOM 1354 C VAL A 82 -3.683 -1.162 3.591 1.00 3.12 C ATOM 1355 O VAL A 82 -4.657 -1.262 4.346 1.00 72.45 O ATOM 1356 CB VAL A 82 -1.751 -0.643 5.176 1.00 30.54 C ATOM 1357 CG1 VAL A 82 -1.145 -2.060 4.993 1.00 71.41 C ATOM 1358 CG2 VAL A 82 -0.657 0.380 5.566 1.00 64.42 C ATOM 0 H VAL A 82 -3.733 1.319 4.810 1.00 22.53 H new ATOM 0 HA VAL A 82 -1.852 -0.157 3.052 1.00 5.05 H new ATOM 0 HB VAL A 82 -2.469 -0.699 5.994 1.00 30.54 H new ATOM 0 HG11 VAL A 82 -0.608 -2.346 5.897 1.00 71.41 H new ATOM 0 HG12 VAL A 82 -1.945 -2.776 4.805 1.00 71.41 H new ATOM 0 HG13 VAL A 82 -0.456 -2.055 4.148 1.00 71.41 H new ATOM 0 HG21 VAL A 82 -0.128 0.027 6.451 1.00 64.42 H new ATOM 0 HG22 VAL A 82 0.048 0.491 4.742 1.00 64.42 H new ATOM 0 HG23 VAL A 82 -1.119 1.344 5.779 1.00 64.42 H new ATOM 1368 N ILE A 83 -3.546 -1.872 2.462 1.00 24.42 N ATOM 1369 CA ILE A 83 -4.383 -3.020 2.093 1.00 53.31 C ATOM 1370 C ILE A 83 -3.538 -4.293 2.225 1.00 74.12 C ATOM 1371 O ILE A 83 -2.438 -4.365 1.680 1.00 42.42 O ATOM 1372 CB ILE A 83 -4.936 -2.883 0.619 1.00 12.54 C ATOM 1373 CG1 ILE A 83 -5.989 -1.747 0.553 1.00 22.24 C ATOM 1374 CG2 ILE A 83 -5.522 -4.208 0.081 1.00 60.23 C ATOM 1375 CD1 ILE A 83 -6.684 -1.575 -0.781 1.00 65.23 C ATOM 0 H ILE A 83 -2.833 -1.658 1.765 1.00 24.42 H new ATOM 0 HA ILE A 83 -5.245 -3.063 2.758 1.00 53.31 H new ATOM 0 HB ILE A 83 -4.094 -2.632 -0.026 1.00 12.54 H new ATOM 0 HG12 ILE A 83 -6.746 -1.933 1.315 1.00 22.24 H new ATOM 0 HG13 ILE A 83 -5.500 -0.808 0.811 1.00 22.24 H new ATOM 0 HG21 ILE A 83 -5.888 -4.058 -0.935 1.00 60.23 H new ATOM 0 HG22 ILE A 83 -4.747 -4.974 0.078 1.00 60.23 H new ATOM 0 HG23 ILE A 83 -6.346 -4.527 0.720 1.00 60.23 H new ATOM 0 HD11 ILE A 83 -7.399 -0.755 -0.716 1.00 65.23 H new ATOM 0 HD12 ILE A 83 -5.945 -1.352 -1.550 1.00 65.23 H new ATOM 0 HD13 ILE A 83 -7.210 -2.495 -1.039 1.00 65.23 H new ATOM 1387 N MET A 84 -4.044 -5.270 2.977 1.00 22.44 N ATOM 1388 CA MET A 84 -3.450 -6.608 3.081 1.00 74.53 C ATOM 1389 C MET A 84 -4.522 -7.626 2.674 1.00 62.33 C ATOM 1390 O MET A 84 -5.563 -7.738 3.332 1.00 75.42 O ATOM 1391 CB MET A 84 -2.944 -6.843 4.533 1.00 0.34 C ATOM 1392 CG MET A 84 -1.725 -5.992 4.931 1.00 70.51 C ATOM 1393 SD MET A 84 -1.448 -5.939 6.716 1.00 10.44 S ATOM 1394 CE MET A 84 -2.726 -4.802 7.263 1.00 4.44 C ATOM 0 H MET A 84 -4.888 -5.156 3.539 1.00 22.44 H new ATOM 0 HA MET A 84 -2.589 -6.715 2.421 1.00 74.53 H new ATOM 0 HB2 MET A 84 -3.759 -6.634 5.226 1.00 0.34 H new ATOM 0 HB3 MET A 84 -2.689 -7.896 4.649 1.00 0.34 H new ATOM 0 HG2 MET A 84 -0.836 -6.392 4.443 1.00 70.51 H new ATOM 0 HG3 MET A 84 -1.862 -4.976 4.561 1.00 70.51 H new ATOM 0 HE1 MET A 84 -2.263 -3.927 7.720 1.00 4.44 H new ATOM 0 HE2 MET A 84 -3.326 -4.490 6.408 1.00 4.44 H new ATOM 0 HE3 MET A 84 -3.366 -5.298 7.993 1.00 4.44 H new ATOM 1404 N VAL A 85 -4.283 -8.333 1.553 1.00 13.15 N ATOM 1405 CA VAL A 85 -5.223 -9.318 0.995 1.00 61.11 C ATOM 1406 C VAL A 85 -4.474 -10.611 0.676 1.00 11.22 C ATOM 1407 O VAL A 85 -3.594 -10.618 -0.189 1.00 43.50 O ATOM 1408 CB VAL A 85 -5.937 -8.798 -0.312 1.00 20.11 C ATOM 1409 CG1 VAL A 85 -6.893 -9.865 -0.907 1.00 14.41 C ATOM 1410 CG2 VAL A 85 -6.691 -7.482 -0.048 1.00 12.44 C ATOM 0 H VAL A 85 -3.427 -8.235 1.008 1.00 13.15 H new ATOM 0 HA VAL A 85 -5.994 -9.492 1.745 1.00 61.11 H new ATOM 0 HB VAL A 85 -5.157 -8.604 -1.048 1.00 20.11 H new ATOM 0 HG11 VAL A 85 -7.366 -9.469 -1.806 1.00 14.41 H new ATOM 0 HG12 VAL A 85 -6.326 -10.761 -1.160 1.00 14.41 H new ATOM 0 HG13 VAL A 85 -7.660 -10.115 -0.174 1.00 14.41 H new ATOM 0 HG21 VAL A 85 -7.173 -7.148 -0.967 1.00 12.44 H new ATOM 0 HG22 VAL A 85 -7.447 -7.644 0.720 1.00 12.44 H new ATOM 0 HG23 VAL A 85 -5.987 -6.721 0.290 1.00 12.44 H new ATOM 1420 N ASP A 86 -4.839 -11.684 1.395 1.00 23.03 N ATOM 1421 CA ASP A 86 -4.351 -13.046 1.144 1.00 4.44 C ATOM 1422 C ASP A 86 -5.093 -14.017 2.073 1.00 34.32 C ATOM 1423 O ASP A 86 -5.614 -13.610 3.123 1.00 70.40 O ATOM 1424 CB ASP A 86 -2.814 -13.162 1.356 1.00 53.40 C ATOM 1425 CG ASP A 86 -2.237 -14.429 0.711 1.00 31.13 C ATOM 1426 OD1 ASP A 86 -2.074 -15.451 1.415 1.00 73.44 O ATOM 1427 OD2 ASP A 86 -1.975 -14.415 -0.511 1.00 34.21 O ATOM 0 H ASP A 86 -5.491 -11.627 2.178 1.00 23.03 H new ATOM 0 HA ASP A 86 -4.548 -13.298 0.102 1.00 4.44 H new ATOM 0 HB2 ASP A 86 -2.323 -12.285 0.934 1.00 53.40 H new ATOM 0 HB3 ASP A 86 -2.595 -13.167 2.424 1.00 53.40 H new ATOM 1432 N GLN A 87 -5.125 -15.297 1.684 1.00 65.20 N ATOM 1433 CA GLN A 87 -5.868 -16.350 2.398 1.00 51.24 C ATOM 1434 C GLN A 87 -5.198 -16.735 3.743 1.00 74.12 C ATOM 1435 O GLN A 87 -5.852 -17.319 4.614 1.00 31.31 O ATOM 1436 CB GLN A 87 -6.030 -17.566 1.451 1.00 71.31 C ATOM 1437 CG GLN A 87 -6.867 -17.257 0.177 1.00 1.44 C ATOM 1438 CD GLN A 87 -6.895 -18.392 -0.860 1.00 12.32 C ATOM 1439 OE1 GLN A 87 -6.778 -19.575 -0.529 1.00 23.43 O ATOM 1440 NE2 GLN A 87 -7.071 -18.037 -2.129 1.00 50.14 N ATOM 0 H GLN A 87 -4.633 -15.637 0.858 1.00 65.20 H new ATOM 0 HA GLN A 87 -6.854 -15.973 2.669 1.00 51.24 H new ATOM 0 HB2 GLN A 87 -5.042 -17.916 1.150 1.00 71.31 H new ATOM 0 HB3 GLN A 87 -6.504 -18.381 1.998 1.00 71.31 H new ATOM 0 HG2 GLN A 87 -7.890 -17.031 0.476 1.00 1.44 H new ATOM 0 HG3 GLN A 87 -6.467 -16.360 -0.296 1.00 1.44 H new ATOM 0 HE21 GLN A 87 -7.165 -17.051 -2.375 1.00 50.14 H new ATOM 0 HE22 GLN A 87 -7.112 -18.750 -2.857 1.00 50.14 H new ATOM 1449 N ASP A 88 -3.896 -16.412 3.906 1.00 31.11 N ATOM 1450 CA ASP A 88 -3.210 -16.472 5.220 1.00 25.35 C ATOM 1451 C ASP A 88 -3.541 -15.186 5.995 1.00 75.41 C ATOM 1452 O ASP A 88 -2.754 -14.235 6.025 1.00 33.31 O ATOM 1453 CB ASP A 88 -1.664 -16.682 5.069 1.00 30.24 C ATOM 1454 CG ASP A 88 -1.268 -18.164 4.930 1.00 5.25 C ATOM 1455 OD1 ASP A 88 -1.096 -18.663 3.792 1.00 63.15 O ATOM 1456 OD2 ASP A 88 -1.140 -18.847 5.971 1.00 52.51 O ATOM 0 H ASP A 88 -3.295 -16.105 3.141 1.00 31.11 H new ATOM 0 HA ASP A 88 -3.569 -17.337 5.777 1.00 25.35 H new ATOM 0 HB2 ASP A 88 -1.312 -16.134 4.195 1.00 30.24 H new ATOM 0 HB3 ASP A 88 -1.159 -16.257 5.936 1.00 30.24 H new ATOM 1461 N GLN A 89 -4.742 -15.175 6.597 1.00 41.54 N ATOM 1462 CA GLN A 89 -5.358 -13.966 7.161 1.00 23.24 C ATOM 1463 C GLN A 89 -4.799 -13.624 8.548 1.00 24.53 C ATOM 1464 O GLN A 89 -4.505 -12.460 8.823 1.00 13.51 O ATOM 1465 CB GLN A 89 -6.900 -14.128 7.218 1.00 52.04 C ATOM 1466 CG GLN A 89 -7.655 -12.832 7.577 1.00 10.14 C ATOM 1467 CD GLN A 89 -7.291 -11.685 6.634 1.00 45.03 C ATOM 1468 OE1 GLN A 89 -6.374 -10.913 6.899 1.00 53.25 O ATOM 1469 NE2 GLN A 89 -7.966 -11.586 5.510 1.00 71.24 N ATOM 0 H GLN A 89 -5.315 -16.012 6.706 1.00 41.54 H new ATOM 0 HA GLN A 89 -5.110 -13.134 6.503 1.00 23.24 H new ATOM 0 HB2 GLN A 89 -7.253 -14.486 6.251 1.00 52.04 H new ATOM 0 HB3 GLN A 89 -7.147 -14.895 7.952 1.00 52.04 H new ATOM 0 HG2 GLN A 89 -8.729 -13.013 7.533 1.00 10.14 H new ATOM 0 HG3 GLN A 89 -7.422 -12.547 8.603 1.00 10.14 H new ATOM 0 HE21 GLN A 89 -8.724 -12.239 5.311 1.00 71.24 H new ATOM 0 HE22 GLN A 89 -7.732 -10.856 4.837 1.00 71.24 H new ATOM 1478 N GLU A 90 -4.639 -14.648 9.406 1.00 14.52 N ATOM 1479 CA GLU A 90 -4.153 -14.477 10.796 1.00 63.51 C ATOM 1480 C GLU A 90 -2.754 -13.837 10.815 1.00 62.14 C ATOM 1481 O GLU A 90 -2.421 -13.050 11.707 1.00 53.44 O ATOM 1482 CB GLU A 90 -4.137 -15.847 11.515 1.00 12.04 C ATOM 1483 CG GLU A 90 -5.517 -16.541 11.590 1.00 64.35 C ATOM 1484 CD GLU A 90 -5.440 -17.978 12.120 1.00 34.32 C ATOM 1485 OE1 GLU A 90 -5.843 -18.242 13.279 1.00 11.02 O ATOM 1486 OE2 GLU A 90 -4.955 -18.852 11.378 1.00 5.03 O ATOM 0 H GLU A 90 -4.841 -15.617 9.160 1.00 14.52 H new ATOM 0 HA GLU A 90 -4.831 -13.807 11.324 1.00 63.51 H new ATOM 0 HB2 GLU A 90 -3.439 -16.507 11.000 1.00 12.04 H new ATOM 0 HB3 GLU A 90 -3.757 -15.709 12.527 1.00 12.04 H new ATOM 0 HG2 GLU A 90 -6.176 -15.958 12.233 1.00 64.35 H new ATOM 0 HG3 GLU A 90 -5.967 -16.550 10.597 1.00 64.35 H new ATOM 1493 N GLU A 91 -1.971 -14.181 9.781 1.00 21.03 N ATOM 1494 CA GLU A 91 -0.643 -13.622 9.522 1.00 64.01 C ATOM 1495 C GLU A 91 -0.741 -12.106 9.242 1.00 23.22 C ATOM 1496 O GLU A 91 -0.023 -11.302 9.844 1.00 52.43 O ATOM 1497 CB GLU A 91 -0.013 -14.374 8.323 1.00 53.14 C ATOM 1498 CG GLU A 91 1.431 -13.970 7.996 1.00 14.40 C ATOM 1499 CD GLU A 91 2.069 -14.852 6.915 1.00 11.42 C ATOM 1500 OE1 GLU A 91 2.101 -14.446 5.735 1.00 23.23 O ATOM 1501 OE2 GLU A 91 2.545 -15.965 7.246 1.00 54.31 O ATOM 0 H GLU A 91 -2.254 -14.873 9.087 1.00 21.03 H new ATOM 0 HA GLU A 91 -0.008 -13.751 10.399 1.00 64.01 H new ATOM 0 HB2 GLU A 91 -0.038 -15.444 8.530 1.00 53.14 H new ATOM 0 HB3 GLU A 91 -0.631 -14.205 7.441 1.00 53.14 H new ATOM 0 HG2 GLU A 91 1.446 -12.931 7.666 1.00 14.40 H new ATOM 0 HG3 GLU A 91 2.032 -14.025 8.904 1.00 14.40 H new ATOM 1508 N LEU A 92 -1.681 -11.735 8.358 1.00 64.31 N ATOM 1509 CA LEU A 92 -1.935 -10.329 7.992 1.00 14.54 C ATOM 1510 C LEU A 92 -2.551 -9.542 9.172 1.00 32.40 C ATOM 1511 O LEU A 92 -2.470 -8.316 9.199 1.00 75.31 O ATOM 1512 CB LEU A 92 -2.871 -10.255 6.758 1.00 61.24 C ATOM 1513 CG LEU A 92 -2.377 -10.980 5.465 1.00 40.34 C ATOM 1514 CD1 LEU A 92 -3.458 -10.927 4.370 1.00 1.21 C ATOM 1515 CD2 LEU A 92 -1.035 -10.402 4.960 1.00 51.30 C ATOM 0 H LEU A 92 -2.287 -12.399 7.876 1.00 64.31 H new ATOM 0 HA LEU A 92 -0.977 -9.871 7.743 1.00 14.54 H new ATOM 0 HB2 LEU A 92 -3.837 -10.675 7.037 1.00 61.24 H new ATOM 0 HB3 LEU A 92 -3.037 -9.205 6.518 1.00 61.24 H new ATOM 0 HG LEU A 92 -2.197 -12.025 5.717 1.00 40.34 H new ATOM 0 HD11 LEU A 92 -3.097 -11.437 3.477 1.00 1.21 H new ATOM 0 HD12 LEU A 92 -4.363 -11.419 4.728 1.00 1.21 H new ATOM 0 HD13 LEU A 92 -3.681 -9.888 4.129 1.00 1.21 H new ATOM 0 HD21 LEU A 92 -0.726 -10.933 4.060 1.00 51.30 H new ATOM 0 HD22 LEU A 92 -1.157 -9.343 4.733 1.00 51.30 H new ATOM 0 HD23 LEU A 92 -0.274 -10.522 5.731 1.00 51.30 H new ATOM 1527 N GLU A 93 -3.166 -10.262 10.138 1.00 22.22 N ATOM 1528 CA GLU A 93 -3.778 -9.657 11.340 1.00 34.32 C ATOM 1529 C GLU A 93 -2.718 -9.254 12.384 1.00 31.35 C ATOM 1530 O GLU A 93 -2.979 -8.375 13.209 1.00 62.52 O ATOM 1531 CB GLU A 93 -4.836 -10.606 11.958 1.00 54.14 C ATOM 1532 CG GLU A 93 -6.090 -10.819 11.079 1.00 13.32 C ATOM 1533 CD GLU A 93 -7.161 -11.677 11.767 1.00 3.20 C ATOM 1534 OE1 GLU A 93 -8.011 -11.103 12.493 1.00 1.33 O ATOM 1535 OE2 GLU A 93 -7.158 -12.918 11.608 1.00 50.14 O ATOM 0 H GLU A 93 -3.251 -11.278 10.105 1.00 22.22 H new ATOM 0 HA GLU A 93 -4.282 -8.743 11.024 1.00 34.32 H new ATOM 0 HB2 GLU A 93 -4.372 -11.574 12.149 1.00 54.14 H new ATOM 0 HB3 GLU A 93 -5.147 -10.206 12.923 1.00 54.14 H new ATOM 0 HG2 GLU A 93 -6.517 -9.850 10.823 1.00 13.32 H new ATOM 0 HG3 GLU A 93 -5.796 -11.295 10.144 1.00 13.32 H new ATOM 1542 N ARG A 94 -1.533 -9.901 12.354 1.00 65.43 N ATOM 1543 CA ARG A 94 -0.380 -9.492 13.199 1.00 44.24 C ATOM 1544 C ARG A 94 0.285 -8.224 12.623 1.00 63.53 C ATOM 1545 O ARG A 94 0.778 -7.372 13.375 1.00 21.32 O ATOM 1546 CB ARG A 94 0.647 -10.651 13.350 1.00 33.10 C ATOM 1547 CG ARG A 94 1.979 -10.273 14.060 1.00 13.11 C ATOM 1548 CD ARG A 94 1.787 -9.751 15.501 1.00 5.35 C ATOM 1549 NE ARG A 94 3.040 -9.203 16.058 1.00 75.31 N ATOM 1550 CZ ARG A 94 3.213 -8.771 17.324 1.00 50.43 C ATOM 1551 NH1 ARG A 94 2.221 -8.810 18.209 1.00 50.14 N ATOM 1552 NH2 ARG A 94 4.387 -8.283 17.701 1.00 25.22 N ATOM 0 H ARG A 94 -1.346 -10.707 11.757 1.00 65.43 H new ATOM 0 HA ARG A 94 -0.753 -9.258 14.196 1.00 44.24 H new ATOM 0 HB2 ARG A 94 0.176 -11.461 13.906 1.00 33.10 H new ATOM 0 HB3 ARG A 94 0.881 -11.038 12.358 1.00 33.10 H new ATOM 0 HG2 ARG A 94 2.629 -11.148 14.083 1.00 13.11 H new ATOM 0 HG3 ARG A 94 2.491 -9.511 13.472 1.00 13.11 H new ATOM 0 HD2 ARG A 94 1.018 -8.979 15.508 1.00 5.35 H new ATOM 0 HD3 ARG A 94 1.431 -10.562 16.137 1.00 5.35 H new ATOM 0 HE ARG A 94 3.843 -9.146 15.432 1.00 75.31 H new ATOM 0 HH11 ARG A 94 1.307 -9.172 17.935 1.00 50.14 H new ATOM 0 HH12 ARG A 94 2.374 -8.478 19.161 1.00 50.14 H new ATOM 0 HH21 ARG A 94 5.157 -8.235 17.034 1.00 25.22 H new ATOM 0 HH22 ARG A 94 4.520 -7.956 18.658 1.00 25.22 H new ATOM 1566 N ILE A 95 0.291 -8.108 11.288 1.00 72.01 N ATOM 1567 CA ILE A 95 0.727 -6.877 10.608 1.00 5.34 C ATOM 1568 C ILE A 95 -0.273 -5.745 10.935 1.00 22.24 C ATOM 1569 O ILE A 95 0.106 -4.634 11.318 1.00 74.14 O ATOM 1570 CB ILE A 95 0.816 -7.066 9.046 1.00 1.33 C ATOM 1571 CG1 ILE A 95 1.605 -8.363 8.666 1.00 2.02 C ATOM 1572 CG2 ILE A 95 1.451 -5.820 8.396 1.00 4.40 C ATOM 1573 CD1 ILE A 95 1.720 -8.632 7.171 1.00 53.21 C ATOM 0 H ILE A 95 -0.001 -8.852 10.655 1.00 72.01 H new ATOM 0 HA ILE A 95 1.725 -6.625 10.966 1.00 5.34 H new ATOM 0 HB ILE A 95 -0.197 -7.183 8.661 1.00 1.33 H new ATOM 0 HG12 ILE A 95 2.609 -8.296 9.086 1.00 2.02 H new ATOM 0 HG13 ILE A 95 1.119 -9.217 9.137 1.00 2.02 H new ATOM 0 HG21 ILE A 95 1.508 -5.962 7.317 1.00 4.40 H new ATOM 0 HG22 ILE A 95 0.841 -4.944 8.616 1.00 4.40 H new ATOM 0 HG23 ILE A 95 2.454 -5.673 8.796 1.00 4.40 H new ATOM 0 HD11 ILE A 95 2.283 -9.551 7.009 1.00 53.21 H new ATOM 0 HD12 ILE A 95 0.723 -8.737 6.742 1.00 53.21 H new ATOM 0 HD13 ILE A 95 2.236 -7.801 6.690 1.00 53.21 H new ATOM 1585 N TYR A 96 -1.563 -6.105 10.827 1.00 22.32 N ATOM 1586 CA TYR A 96 -2.707 -5.208 11.044 1.00 70.42 C ATOM 1587 C TYR A 96 -2.663 -4.575 12.437 1.00 43.41 C ATOM 1588 O TYR A 96 -2.720 -3.362 12.545 1.00 24.35 O ATOM 1589 CB TYR A 96 -4.014 -6.017 10.845 1.00 1.45 C ATOM 1590 CG TYR A 96 -5.337 -5.243 10.965 1.00 61.20 C ATOM 1591 CD1 TYR A 96 -5.926 -4.656 9.849 1.00 42.03 C ATOM 1592 CD2 TYR A 96 -6.016 -5.142 12.184 1.00 73.12 C ATOM 1593 CE1 TYR A 96 -7.137 -4.002 9.936 1.00 4.23 C ATOM 1594 CE2 TYR A 96 -7.226 -4.477 12.279 1.00 30.42 C ATOM 1595 CZ TYR A 96 -7.783 -3.909 11.149 1.00 41.12 C ATOM 1596 OH TYR A 96 -8.994 -3.247 11.230 1.00 54.32 O ATOM 0 H TYR A 96 -1.845 -7.054 10.580 1.00 22.32 H new ATOM 0 HA TYR A 96 -2.666 -4.391 10.323 1.00 70.42 H new ATOM 0 HB2 TYR A 96 -3.980 -6.479 9.858 1.00 1.45 H new ATOM 0 HB3 TYR A 96 -4.027 -6.826 11.576 1.00 1.45 H new ATOM 0 HD1 TYR A 96 -5.424 -4.714 8.895 1.00 42.03 H new ATOM 0 HD2 TYR A 96 -5.588 -5.592 13.068 1.00 73.12 H new ATOM 0 HE1 TYR A 96 -7.579 -3.563 9.054 1.00 4.23 H new ATOM 0 HE2 TYR A 96 -7.732 -4.402 13.230 1.00 30.42 H new ATOM 0 HH TYR A 96 -9.319 -3.271 12.154 1.00 54.32 H new ATOM 1606 N GLU A 97 -2.528 -5.422 13.483 1.00 50.32 N ATOM 1607 CA GLU A 97 -2.548 -4.980 14.896 1.00 33.41 C ATOM 1608 C GLU A 97 -1.356 -4.059 15.220 1.00 64.01 C ATOM 1609 O GLU A 97 -1.477 -3.159 16.049 1.00 42.25 O ATOM 1610 CB GLU A 97 -2.556 -6.206 15.854 1.00 31.35 C ATOM 1611 CG GLU A 97 -1.303 -7.086 15.786 1.00 73.54 C ATOM 1612 CD GLU A 97 -1.326 -8.280 16.751 1.00 55.34 C ATOM 1613 OE1 GLU A 97 -0.617 -8.244 17.778 1.00 50.13 O ATOM 1614 OE2 GLU A 97 -2.048 -9.262 16.477 1.00 54.05 O ATOM 0 H GLU A 97 -2.403 -6.428 13.372 1.00 50.32 H new ATOM 0 HA GLU A 97 -3.464 -4.408 15.046 1.00 33.41 H new ATOM 0 HB2 GLU A 97 -2.676 -5.849 16.877 1.00 31.35 H new ATOM 0 HB3 GLU A 97 -3.427 -6.821 15.627 1.00 31.35 H new ATOM 0 HG2 GLU A 97 -1.187 -7.457 14.768 1.00 73.54 H new ATOM 0 HG3 GLU A 97 -0.428 -6.473 16.004 1.00 73.54 H new ATOM 1621 N GLN A 98 -0.217 -4.301 14.545 1.00 15.02 N ATOM 1622 CA GLN A 98 1.015 -3.522 14.724 1.00 13.31 C ATOM 1623 C GLN A 98 0.823 -2.084 14.211 1.00 51.41 C ATOM 1624 O GLN A 98 1.170 -1.113 14.890 1.00 31.54 O ATOM 1625 CB GLN A 98 2.181 -4.223 13.974 1.00 2.11 C ATOM 1626 CG GLN A 98 3.571 -3.557 14.144 1.00 65.44 C ATOM 1627 CD GLN A 98 4.095 -3.576 15.588 1.00 35.30 C ATOM 1628 OE1 GLN A 98 3.793 -4.484 16.369 1.00 35.42 O ATOM 1629 NE2 GLN A 98 4.909 -2.595 15.950 1.00 42.45 N ATOM 0 H GLN A 98 -0.129 -5.048 13.856 1.00 15.02 H new ATOM 0 HA GLN A 98 1.256 -3.469 15.786 1.00 13.31 H new ATOM 0 HB2 GLN A 98 2.246 -5.255 14.320 1.00 2.11 H new ATOM 0 HB3 GLN A 98 1.940 -4.257 12.912 1.00 2.11 H new ATOM 0 HG2 GLN A 98 4.289 -4.066 13.500 1.00 65.44 H new ATOM 0 HG3 GLN A 98 3.513 -2.524 13.802 1.00 65.44 H new ATOM 0 HE21 GLN A 98 5.144 -1.856 15.287 1.00 42.45 H new ATOM 0 HE22 GLN A 98 5.301 -2.579 16.892 1.00 42.45 H new ATOM 1638 N LEU A 99 0.226 -1.974 13.013 1.00 33.42 N ATOM 1639 CA LEU A 99 0.024 -0.690 12.318 1.00 15.51 C ATOM 1640 C LEU A 99 -1.191 0.070 12.900 1.00 54.12 C ATOM 1641 O LEU A 99 -1.180 1.299 13.012 1.00 3.51 O ATOM 1642 CB LEU A 99 -0.164 -0.967 10.806 1.00 44.21 C ATOM 1643 CG LEU A 99 0.948 -1.807 10.097 1.00 43.34 C ATOM 1644 CD1 LEU A 99 0.657 -1.979 8.590 1.00 1.30 C ATOM 1645 CD2 LEU A 99 2.344 -1.217 10.346 1.00 3.44 C ATOM 0 H LEU A 99 -0.132 -2.777 12.496 1.00 33.42 H new ATOM 0 HA LEU A 99 0.898 -0.056 12.464 1.00 15.51 H new ATOM 0 HB2 LEU A 99 -1.115 -1.481 10.671 1.00 44.21 H new ATOM 0 HB3 LEU A 99 -0.244 -0.009 10.293 1.00 44.21 H new ATOM 0 HG LEU A 99 0.937 -2.803 10.540 1.00 43.34 H new ATOM 0 HD11 LEU A 99 1.451 -2.568 8.131 1.00 1.30 H new ATOM 0 HD12 LEU A 99 -0.296 -2.491 8.460 1.00 1.30 H new ATOM 0 HD13 LEU A 99 0.611 -0.999 8.114 1.00 1.30 H new ATOM 0 HD21 LEU A 99 3.092 -1.826 9.839 1.00 3.44 H new ATOM 0 HD22 LEU A 99 2.383 -0.198 9.960 1.00 3.44 H new ATOM 0 HD23 LEU A 99 2.549 -1.207 11.416 1.00 3.44 H new ATOM 1657 N LYS A 100 -2.217 -0.704 13.303 1.00 60.22 N ATOM 1658 CA LYS A 100 -3.487 -0.194 13.876 1.00 0.20 C ATOM 1659 C LYS A 100 -3.196 0.446 15.243 1.00 40.43 C ATOM 1660 O LYS A 100 -3.816 1.440 15.617 1.00 14.42 O ATOM 1661 CB LYS A 100 -4.519 -1.373 14.000 1.00 33.33 C ATOM 1662 CG LYS A 100 -6.022 -1.002 14.190 1.00 62.02 C ATOM 1663 CD LYS A 100 -6.417 -0.617 15.637 1.00 34.14 C ATOM 1664 CE LYS A 100 -7.938 -0.456 15.807 1.00 2.12 C ATOM 1665 NZ LYS A 100 -8.508 0.580 14.894 1.00 35.42 N ATOM 0 H LYS A 100 -2.190 -1.722 13.240 1.00 60.22 H new ATOM 0 HA LYS A 100 -3.922 0.564 13.225 1.00 0.20 H new ATOM 0 HB2 LYS A 100 -4.436 -1.988 13.104 1.00 33.33 H new ATOM 0 HB3 LYS A 100 -4.218 -1.996 14.843 1.00 33.33 H new ATOM 0 HG2 LYS A 100 -6.263 -0.170 13.529 1.00 62.02 H new ATOM 0 HG3 LYS A 100 -6.633 -1.847 13.874 1.00 62.02 H new ATOM 0 HD2 LYS A 100 -6.056 -1.382 16.325 1.00 34.14 H new ATOM 0 HD3 LYS A 100 -5.923 0.316 15.910 1.00 34.14 H new ATOM 0 HE2 LYS A 100 -8.425 -1.412 15.616 1.00 2.12 H new ATOM 0 HE3 LYS A 100 -8.159 -0.187 16.840 1.00 2.12 H new ATOM 0 HZ1 LYS A 100 -9.525 0.687 15.082 1.00 35.42 H new ATOM 0 HZ2 LYS A 100 -8.028 1.488 15.057 1.00 35.42 H new ATOM 0 HZ3 LYS A 100 -8.368 0.287 13.906 1.00 35.42 H new ATOM 1679 N LYS A 101 -2.239 -0.168 15.967 1.00 51.33 N ATOM 1680 CA LYS A 101 -1.700 0.327 17.249 1.00 74.31 C ATOM 1681 C LYS A 101 -1.207 1.778 17.133 1.00 34.03 C ATOM 1682 O LYS A 101 -1.449 2.597 18.024 1.00 74.51 O ATOM 1683 CB LYS A 101 -0.531 -0.584 17.682 1.00 14.35 C ATOM 1684 CG LYS A 101 0.012 -0.346 19.110 1.00 14.14 C ATOM 1685 CD LYS A 101 1.152 -1.324 19.488 1.00 22.54 C ATOM 1686 CE LYS A 101 0.806 -2.799 19.201 1.00 45.14 C ATOM 1687 NZ LYS A 101 -0.493 -3.211 19.811 1.00 72.42 N ATOM 0 H LYS A 101 -1.809 -1.044 15.669 1.00 51.33 H new ATOM 0 HA LYS A 101 -2.498 0.306 17.992 1.00 74.31 H new ATOM 0 HB2 LYS A 101 -0.856 -1.622 17.605 1.00 14.35 H new ATOM 0 HB3 LYS A 101 0.288 -0.453 16.975 1.00 14.35 H new ATOM 0 HG2 LYS A 101 0.377 0.678 19.189 1.00 14.14 H new ATOM 0 HG3 LYS A 101 -0.803 -0.451 19.826 1.00 14.14 H new ATOM 0 HD2 LYS A 101 2.052 -1.054 18.935 1.00 22.54 H new ATOM 0 HD3 LYS A 101 1.383 -1.211 20.547 1.00 22.54 H new ATOM 0 HE2 LYS A 101 0.763 -2.956 18.123 1.00 45.14 H new ATOM 0 HE3 LYS A 101 1.602 -3.437 19.585 1.00 45.14 H new ATOM 0 HZ1 LYS A 101 -0.431 -4.201 20.124 1.00 72.42 H new ATOM 0 HZ2 LYS A 101 -0.702 -2.602 20.628 1.00 72.42 H new ATOM 0 HZ3 LYS A 101 -1.252 -3.117 19.107 1.00 72.42 H new ATOM 1701 N ASP A 102 -0.509 2.069 16.026 1.00 2.53 N ATOM 1702 CA ASP A 102 -0.002 3.418 15.730 1.00 42.30 C ATOM 1703 C ASP A 102 -1.143 4.365 15.316 1.00 33.52 C ATOM 1704 O ASP A 102 -1.114 5.556 15.631 1.00 41.24 O ATOM 1705 CB ASP A 102 1.037 3.322 14.582 1.00 55.12 C ATOM 1706 CG ASP A 102 1.568 4.689 14.107 1.00 11.42 C ATOM 1707 OD1 ASP A 102 2.652 5.109 14.559 1.00 72.24 O ATOM 1708 OD2 ASP A 102 0.902 5.350 13.276 1.00 40.11 O ATOM 0 H ASP A 102 -0.280 1.378 15.312 1.00 2.53 H new ATOM 0 HA ASP A 102 0.461 3.823 16.630 1.00 42.30 H new ATOM 0 HB2 ASP A 102 1.877 2.712 14.915 1.00 55.12 H new ATOM 0 HB3 ASP A 102 0.583 2.805 13.736 1.00 55.12 H new ATOM 1713 N GLY A 103 -2.162 3.810 14.650 1.00 20.34 N ATOM 1714 CA GLY A 103 -3.244 4.606 14.058 1.00 71.33 C ATOM 1715 C GLY A 103 -3.111 4.746 12.547 1.00 21.00 C ATOM 1716 O GLY A 103 -3.739 5.630 11.950 1.00 25.12 O ATOM 0 H GLY A 103 -2.260 2.805 14.507 1.00 20.34 H new ATOM 0 HA2 GLY A 103 -4.202 4.142 14.293 1.00 71.33 H new ATOM 0 HA3 GLY A 103 -3.251 5.597 14.512 1.00 71.33 H new ATOM 1720 N VAL A 104 -2.270 3.890 11.930 1.00 74.41 N ATOM 1721 CA VAL A 104 -2.157 3.771 10.457 1.00 4.23 C ATOM 1722 C VAL A 104 -3.476 3.227 9.876 1.00 12.53 C ATOM 1723 O VAL A 104 -4.137 2.391 10.514 1.00 23.41 O ATOM 1724 CB VAL A 104 -0.976 2.807 10.044 1.00 51.34 C ATOM 1725 CG1 VAL A 104 -0.834 2.681 8.508 1.00 12.31 C ATOM 1726 CG2 VAL A 104 0.357 3.254 10.678 1.00 35.13 C ATOM 0 H VAL A 104 -1.649 3.260 12.438 1.00 74.41 H new ATOM 0 HA VAL A 104 -1.949 4.764 10.058 1.00 4.23 H new ATOM 0 HB VAL A 104 -1.227 1.819 10.430 1.00 51.34 H new ATOM 0 HG11 VAL A 104 -0.009 2.008 8.273 1.00 12.31 H new ATOM 0 HG12 VAL A 104 -1.758 2.283 8.089 1.00 12.31 H new ATOM 0 HG13 VAL A 104 -0.635 3.663 8.079 1.00 12.31 H new ATOM 0 HG21 VAL A 104 1.151 2.571 10.375 1.00 35.13 H new ATOM 0 HG22 VAL A 104 0.599 4.263 10.343 1.00 35.13 H new ATOM 0 HG23 VAL A 104 0.265 3.244 11.764 1.00 35.13 H new ATOM 1736 N ASP A 105 -3.859 3.710 8.679 1.00 60.33 N ATOM 1737 CA ASP A 105 -5.044 3.212 7.975 1.00 63.01 C ATOM 1738 C ASP A 105 -4.761 1.805 7.457 1.00 70.43 C ATOM 1739 O ASP A 105 -3.881 1.624 6.632 1.00 43.33 O ATOM 1740 CB ASP A 105 -5.429 4.147 6.815 1.00 70.32 C ATOM 1741 CG ASP A 105 -6.780 3.769 6.183 1.00 61.34 C ATOM 1742 OD1 ASP A 105 -7.823 4.155 6.752 1.00 23.11 O ATOM 1743 OD2 ASP A 105 -6.811 3.075 5.142 1.00 63.41 O ATOM 0 H ASP A 105 -3.359 4.447 8.182 1.00 60.33 H new ATOM 0 HA ASP A 105 -5.885 3.183 8.668 1.00 63.01 H new ATOM 0 HB2 ASP A 105 -5.475 5.173 7.179 1.00 70.32 H new ATOM 0 HB3 ASP A 105 -4.652 4.114 6.052 1.00 70.32 H new ATOM 1748 N VAL A 106 -5.466 0.815 8.005 1.00 73.22 N ATOM 1749 CA VAL A 106 -5.267 -0.604 7.662 1.00 43.51 C ATOM 1750 C VAL A 106 -6.598 -1.317 7.435 1.00 52.13 C ATOM 1751 O VAL A 106 -7.619 -0.969 8.035 1.00 35.20 O ATOM 1752 CB VAL A 106 -4.453 -1.356 8.779 1.00 61.13 C ATOM 1753 CG1 VAL A 106 -2.968 -0.970 8.743 1.00 41.04 C ATOM 1754 CG2 VAL A 106 -5.053 -1.094 10.185 1.00 2.32 C ATOM 0 H VAL A 106 -6.195 0.969 8.702 1.00 73.22 H new ATOM 0 HA VAL A 106 -4.695 -0.625 6.734 1.00 43.51 H new ATOM 0 HB VAL A 106 -4.528 -2.424 8.573 1.00 61.13 H new ATOM 0 HG11 VAL A 106 -2.433 -1.507 9.527 1.00 41.04 H new ATOM 0 HG12 VAL A 106 -2.547 -1.232 7.772 1.00 41.04 H new ATOM 0 HG13 VAL A 106 -2.867 0.103 8.904 1.00 41.04 H new ATOM 0 HG21 VAL A 106 -4.469 -1.627 10.935 1.00 2.32 H new ATOM 0 HG22 VAL A 106 -5.028 -0.025 10.398 1.00 2.32 H new ATOM 0 HG23 VAL A 106 -6.084 -1.445 10.212 1.00 2.32 H new ATOM 1764 N ARG A 107 -6.558 -2.322 6.555 1.00 45.14 N ATOM 1765 CA ARG A 107 -7.694 -3.200 6.264 1.00 5.31 C ATOM 1766 C ARG A 107 -7.172 -4.561 5.784 1.00 52.31 C ATOM 1767 O ARG A 107 -6.183 -4.632 5.038 1.00 3.11 O ATOM 1768 CB ARG A 107 -8.645 -2.548 5.221 1.00 11.44 C ATOM 1769 CG ARG A 107 -7.983 -2.184 3.870 1.00 45.31 C ATOM 1770 CD ARG A 107 -8.944 -1.467 2.907 1.00 72.01 C ATOM 1771 NE ARG A 107 -9.418 -0.184 3.453 1.00 65.22 N ATOM 1772 CZ ARG A 107 -10.643 0.336 3.261 1.00 0.32 C ATOM 1773 NH1 ARG A 107 -11.552 -0.306 2.535 1.00 72.02 N ATOM 1774 NH2 ARG A 107 -10.959 1.495 3.816 1.00 14.12 N ATOM 0 H ARG A 107 -5.722 -2.551 6.017 1.00 45.14 H new ATOM 0 HA ARG A 107 -8.277 -3.353 7.172 1.00 5.31 H new ATOM 0 HB2 ARG A 107 -9.473 -3.230 5.030 1.00 11.44 H new ATOM 0 HB3 ARG A 107 -9.071 -1.643 5.655 1.00 11.44 H new ATOM 0 HG2 ARG A 107 -7.119 -1.546 4.055 1.00 45.31 H new ATOM 0 HG3 ARG A 107 -7.613 -3.093 3.396 1.00 45.31 H new ATOM 0 HD2 ARG A 107 -8.441 -1.292 1.956 1.00 72.01 H new ATOM 0 HD3 ARG A 107 -9.799 -2.111 2.702 1.00 72.01 H new ATOM 0 HE ARG A 107 -8.764 0.353 4.023 1.00 65.22 H new ATOM 0 HH11 ARG A 107 -11.325 -1.207 2.114 1.00 72.02 H new ATOM 0 HH12 ARG A 107 -12.477 0.102 2.399 1.00 72.02 H new ATOM 0 HH21 ARG A 107 -10.274 1.991 4.387 1.00 14.12 H new ATOM 0 HH22 ARG A 107 -11.887 1.893 3.673 1.00 14.12 H new ATOM 1788 N VAL A 108 -7.834 -5.636 6.239 1.00 31.53 N ATOM 1789 CA VAL A 108 -7.488 -7.023 5.886 1.00 54.04 C ATOM 1790 C VAL A 108 -8.731 -7.760 5.347 1.00 52.42 C ATOM 1791 O VAL A 108 -9.831 -7.627 5.895 1.00 42.12 O ATOM 1792 CB VAL A 108 -6.863 -7.817 7.104 1.00 21.14 C ATOM 1793 CG1 VAL A 108 -5.429 -7.339 7.411 1.00 5.44 C ATOM 1794 CG2 VAL A 108 -7.756 -7.743 8.369 1.00 50.51 C ATOM 0 H VAL A 108 -8.633 -5.567 6.869 1.00 31.53 H new ATOM 0 HA VAL A 108 -6.726 -6.979 5.108 1.00 54.04 H new ATOM 0 HB VAL A 108 -6.813 -8.864 6.805 1.00 21.14 H new ATOM 0 HG11 VAL A 108 -5.029 -7.905 8.253 1.00 5.44 H new ATOM 0 HG12 VAL A 108 -4.798 -7.496 6.536 1.00 5.44 H new ATOM 0 HG13 VAL A 108 -5.445 -6.278 7.662 1.00 5.44 H new ATOM 0 HG21 VAL A 108 -7.287 -8.302 9.179 1.00 50.51 H new ATOM 0 HG22 VAL A 108 -7.876 -6.702 8.669 1.00 50.51 H new ATOM 0 HG23 VAL A 108 -8.733 -8.173 8.150 1.00 50.51 H new ATOM 1804 N THR A 109 -8.539 -8.502 4.250 1.00 32.42 N ATOM 1805 CA THR A 109 -9.589 -9.320 3.608 1.00 64.01 C ATOM 1806 C THR A 109 -8.915 -10.392 2.730 1.00 12.21 C ATOM 1807 O THR A 109 -7.684 -10.432 2.640 1.00 74.23 O ATOM 1808 CB THR A 109 -10.595 -8.439 2.769 1.00 72.41 C ATOM 1809 OG1 THR A 109 -11.616 -9.256 2.174 1.00 30.31 O ATOM 1810 CG2 THR A 109 -9.899 -7.624 1.666 1.00 72.43 C ATOM 0 H THR A 109 -7.639 -8.556 3.772 1.00 32.42 H new ATOM 0 HA THR A 109 -10.183 -9.804 4.384 1.00 64.01 H new ATOM 0 HB THR A 109 -11.041 -7.737 3.474 1.00 72.41 H new ATOM 0 HG1 THR A 109 -12.230 -8.690 1.660 1.00 30.31 H new ATOM 0 HG21 THR A 109 -10.641 -7.038 1.123 1.00 72.43 H new ATOM 0 HG22 THR A 109 -9.166 -6.954 2.116 1.00 72.43 H new ATOM 0 HG23 THR A 109 -9.396 -8.301 0.976 1.00 72.43 H new ATOM 1818 N ASP A 110 -9.713 -11.285 2.135 1.00 30.42 N ATOM 1819 CA ASP A 110 -9.223 -12.311 1.207 1.00 52.33 C ATOM 1820 C ASP A 110 -10.337 -12.603 0.195 1.00 42.22 C ATOM 1821 O ASP A 110 -11.218 -13.446 0.409 1.00 4.14 O ATOM 1822 CB ASP A 110 -8.711 -13.584 1.953 1.00 61.21 C ATOM 1823 CG ASP A 110 -9.701 -14.201 2.956 1.00 44.53 C ATOM 1824 OD1 ASP A 110 -10.300 -15.260 2.667 1.00 75.31 O ATOM 1825 OD2 ASP A 110 -9.873 -13.635 4.053 1.00 2.24 O ATOM 0 H ASP A 110 -10.722 -11.317 2.284 1.00 30.42 H new ATOM 0 HA ASP A 110 -8.348 -11.945 0.670 1.00 52.33 H new ATOM 0 HB2 ASP A 110 -8.452 -14.340 1.212 1.00 61.21 H new ATOM 0 HB3 ASP A 110 -7.793 -13.330 2.483 1.00 61.21 H new ATOM 1830 N ASN A 111 -10.288 -11.827 -0.897 1.00 53.03 N ATOM 1831 CA ASN A 111 -11.329 -11.772 -1.926 1.00 25.14 C ATOM 1832 C ASN A 111 -10.823 -10.842 -3.038 1.00 54.20 C ATOM 1833 O ASN A 111 -10.431 -9.707 -2.736 1.00 62.10 O ATOM 1834 CB ASN A 111 -12.653 -11.217 -1.318 1.00 60.31 C ATOM 1835 CG ASN A 111 -13.857 -11.338 -2.255 1.00 24.43 C ATOM 1836 OD1 ASN A 111 -14.082 -10.497 -3.127 1.00 72.23 O ATOM 1837 ND2 ASN A 111 -14.659 -12.371 -2.063 1.00 5.14 N ATOM 0 H ASN A 111 -9.503 -11.206 -1.091 1.00 53.03 H new ATOM 0 HA ASN A 111 -11.535 -12.766 -2.322 1.00 25.14 H new ATOM 0 HB2 ASN A 111 -12.869 -11.750 -0.392 1.00 60.31 H new ATOM 0 HB3 ASN A 111 -12.511 -10.168 -1.056 1.00 60.31 H new ATOM 0 HD21 ASN A 111 -15.489 -12.487 -2.644 1.00 5.14 H new ATOM 0 HD22 ASN A 111 -14.448 -13.052 -1.333 1.00 5.14 H new ATOM 1844 N GLU A 112 -10.814 -11.320 -4.301 1.00 31.24 N ATOM 1845 CA GLU A 112 -10.309 -10.544 -5.452 1.00 65.12 C ATOM 1846 C GLU A 112 -11.111 -9.245 -5.632 1.00 3.12 C ATOM 1847 O GLU A 112 -10.533 -8.159 -5.673 1.00 41.33 O ATOM 1848 CB GLU A 112 -10.353 -11.397 -6.753 1.00 52.23 C ATOM 1849 CG GLU A 112 -9.678 -10.727 -7.977 1.00 13.15 C ATOM 1850 CD GLU A 112 -9.791 -11.542 -9.280 1.00 3.50 C ATOM 1851 OE1 GLU A 112 -9.211 -12.648 -9.354 1.00 33.42 O ATOM 1852 OE2 GLU A 112 -10.454 -11.079 -10.240 1.00 13.43 O ATOM 0 H GLU A 112 -11.155 -12.249 -4.550 1.00 31.24 H new ATOM 0 HA GLU A 112 -9.271 -10.278 -5.250 1.00 65.12 H new ATOM 0 HB2 GLU A 112 -9.867 -12.354 -6.563 1.00 52.23 H new ATOM 0 HB3 GLU A 112 -11.393 -11.611 -6.998 1.00 52.23 H new ATOM 0 HG2 GLU A 112 -10.126 -9.746 -8.134 1.00 13.15 H new ATOM 0 HG3 GLU A 112 -8.624 -10.564 -7.753 1.00 13.15 H new ATOM 1859 N ASP A 113 -12.447 -9.383 -5.668 1.00 21.43 N ATOM 1860 CA ASP A 113 -13.368 -8.269 -5.947 1.00 33.34 C ATOM 1861 C ASP A 113 -13.291 -7.190 -4.855 1.00 54.12 C ATOM 1862 O ASP A 113 -13.115 -6.012 -5.170 1.00 64.12 O ATOM 1863 CB ASP A 113 -14.816 -8.794 -6.088 1.00 41.31 C ATOM 1864 CG ASP A 113 -15.011 -9.696 -7.313 1.00 72.04 C ATOM 1865 OD1 ASP A 113 -14.773 -10.918 -7.216 1.00 62.22 O ATOM 1866 OD2 ASP A 113 -15.384 -9.183 -8.387 1.00 71.54 O ATOM 0 H ASP A 113 -12.919 -10.272 -5.504 1.00 21.43 H new ATOM 0 HA ASP A 113 -13.065 -7.810 -6.888 1.00 33.34 H new ATOM 0 HB2 ASP A 113 -15.084 -9.349 -5.189 1.00 41.31 H new ATOM 0 HB3 ASP A 113 -15.499 -7.947 -6.155 1.00 41.31 H new ATOM 1871 N GLU A 114 -13.390 -7.620 -3.575 1.00 64.13 N ATOM 1872 CA GLU A 114 -13.317 -6.713 -2.408 1.00 5.54 C ATOM 1873 C GLU A 114 -12.018 -5.908 -2.416 1.00 23.44 C ATOM 1874 O GLU A 114 -12.060 -4.691 -2.279 1.00 55.45 O ATOM 1875 CB GLU A 114 -13.467 -7.497 -1.072 1.00 45.32 C ATOM 1876 CG GLU A 114 -14.925 -7.781 -0.660 1.00 71.42 C ATOM 1877 CD GLU A 114 -15.738 -6.498 -0.366 1.00 24.22 C ATOM 1878 OE1 GLU A 114 -16.711 -6.192 -1.092 1.00 31.35 O ATOM 1879 OE2 GLU A 114 -15.400 -5.779 0.598 1.00 72.15 O ATOM 0 H GLU A 114 -13.522 -8.600 -3.324 1.00 64.13 H new ATOM 0 HA GLU A 114 -14.151 -6.015 -2.484 1.00 5.54 H new ATOM 0 HB2 GLU A 114 -12.936 -8.445 -1.160 1.00 45.32 H new ATOM 0 HB3 GLU A 114 -12.981 -6.932 -0.277 1.00 45.32 H new ATOM 0 HG2 GLU A 114 -15.418 -8.341 -1.455 1.00 71.42 H new ATOM 0 HG3 GLU A 114 -14.928 -8.416 0.226 1.00 71.42 H new ATOM 1886 N ALA A 115 -10.891 -6.607 -2.639 1.00 21.24 N ATOM 1887 CA ALA A 115 -9.552 -5.996 -2.732 1.00 42.15 C ATOM 1888 C ALA A 115 -9.542 -4.812 -3.722 1.00 53.00 C ATOM 1889 O ALA A 115 -9.062 -3.722 -3.401 1.00 22.52 O ATOM 1890 CB ALA A 115 -8.534 -7.063 -3.163 1.00 12.32 C ATOM 0 H ALA A 115 -10.883 -7.620 -2.761 1.00 21.24 H new ATOM 0 HA ALA A 115 -9.279 -5.606 -1.751 1.00 42.15 H new ATOM 0 HB1 ALA A 115 -7.543 -6.614 -3.232 1.00 12.32 H new ATOM 0 HB2 ALA A 115 -8.517 -7.868 -2.428 1.00 12.32 H new ATOM 0 HB3 ALA A 115 -8.819 -7.466 -4.135 1.00 12.32 H new ATOM 1896 N LYS A 116 -10.144 -5.055 -4.897 1.00 20.14 N ATOM 1897 CA LYS A 116 -10.183 -4.113 -6.026 1.00 13.11 C ATOM 1898 C LYS A 116 -11.141 -2.933 -5.769 1.00 3.53 C ATOM 1899 O LYS A 116 -10.900 -1.821 -6.255 1.00 2.13 O ATOM 1900 CB LYS A 116 -10.567 -4.901 -7.304 1.00 15.12 C ATOM 1901 CG LYS A 116 -9.508 -5.963 -7.711 1.00 60.01 C ATOM 1902 CD LYS A 116 -10.003 -6.940 -8.799 1.00 24.43 C ATOM 1903 CE LYS A 116 -10.230 -6.285 -10.164 1.00 52.21 C ATOM 1904 NZ LYS A 116 -10.721 -7.280 -11.157 1.00 12.12 N ATOM 0 H LYS A 116 -10.628 -5.931 -5.092 1.00 20.14 H new ATOM 0 HA LYS A 116 -9.198 -3.665 -6.154 1.00 13.11 H new ATOM 0 HB2 LYS A 116 -11.525 -5.396 -7.144 1.00 15.12 H new ATOM 0 HB3 LYS A 116 -10.704 -4.200 -8.127 1.00 15.12 H new ATOM 0 HG2 LYS A 116 -8.614 -5.454 -8.071 1.00 60.01 H new ATOM 0 HG3 LYS A 116 -9.217 -6.532 -6.828 1.00 60.01 H new ATOM 0 HD2 LYS A 116 -9.276 -7.744 -8.909 1.00 24.43 H new ATOM 0 HD3 LYS A 116 -10.935 -7.397 -8.467 1.00 24.43 H new ATOM 0 HE2 LYS A 116 -10.953 -5.475 -10.067 1.00 52.21 H new ATOM 0 HE3 LYS A 116 -9.299 -5.841 -10.518 1.00 52.21 H new ATOM 0 HZ1 LYS A 116 -11.270 -6.793 -11.894 1.00 12.12 H new ATOM 0 HZ2 LYS A 116 -9.911 -7.765 -11.592 1.00 12.12 H new ATOM 0 HZ3 LYS A 116 -11.326 -7.978 -10.679 1.00 12.12 H new ATOM 1918 N LYS A 117 -12.212 -3.178 -4.986 1.00 14.12 N ATOM 1919 CA LYS A 117 -13.176 -2.129 -4.607 1.00 74.03 C ATOM 1920 C LYS A 117 -12.516 -1.144 -3.637 1.00 14.04 C ATOM 1921 O LYS A 117 -12.561 0.076 -3.836 1.00 12.43 O ATOM 1922 CB LYS A 117 -14.454 -2.753 -3.960 1.00 61.20 C ATOM 1923 CG LYS A 117 -15.290 -3.723 -4.844 1.00 52.23 C ATOM 1924 CD LYS A 117 -15.973 -3.069 -6.081 1.00 74.35 C ATOM 1925 CE LYS A 117 -15.050 -2.911 -7.309 1.00 71.21 C ATOM 1926 NZ LYS A 117 -15.723 -2.195 -8.421 1.00 42.20 N ATOM 0 H LYS A 117 -12.430 -4.098 -4.603 1.00 14.12 H new ATOM 0 HA LYS A 117 -13.480 -1.596 -5.508 1.00 74.03 H new ATOM 0 HB2 LYS A 117 -14.151 -3.290 -3.061 1.00 61.20 H new ATOM 0 HB3 LYS A 117 -15.105 -1.939 -3.641 1.00 61.20 H new ATOM 0 HG2 LYS A 117 -14.639 -4.526 -5.190 1.00 52.23 H new ATOM 0 HG3 LYS A 117 -16.060 -4.182 -4.224 1.00 52.23 H new ATOM 0 HD2 LYS A 117 -16.836 -3.671 -6.365 1.00 74.35 H new ATOM 0 HD3 LYS A 117 -16.350 -2.087 -5.796 1.00 74.35 H new ATOM 0 HE2 LYS A 117 -14.151 -2.367 -7.019 1.00 71.21 H new ATOM 0 HE3 LYS A 117 -14.731 -3.895 -7.652 1.00 71.21 H new ATOM 0 HZ1 LYS A 117 -15.069 -2.110 -9.225 1.00 42.20 H new ATOM 0 HZ2 LYS A 117 -16.567 -2.726 -8.715 1.00 42.20 H new ATOM 0 HZ3 LYS A 117 -16.005 -1.246 -8.103 1.00 42.20 H new ATOM 1940 N ARG A 118 -11.852 -1.711 -2.613 1.00 71.20 N ATOM 1941 CA ARG A 118 -11.251 -0.943 -1.516 1.00 73.32 C ATOM 1942 C ARG A 118 -9.944 -0.275 -1.969 1.00 33.52 C ATOM 1943 O ARG A 118 -9.485 0.682 -1.341 1.00 71.23 O ATOM 1944 CB ARG A 118 -11.019 -1.864 -0.291 1.00 21.15 C ATOM 1945 CG ARG A 118 -12.240 -2.742 0.093 1.00 72.54 C ATOM 1946 CD ARG A 118 -13.558 -1.957 0.272 1.00 4.10 C ATOM 1947 NE ARG A 118 -14.730 -2.834 0.138 1.00 52.42 N ATOM 1948 CZ ARG A 118 -15.998 -2.421 -0.018 1.00 3.21 C ATOM 1949 NH1 ARG A 118 -16.314 -1.124 -0.048 1.00 72.11 N ATOM 1950 NH2 ARG A 118 -16.953 -3.326 -0.156 1.00 71.53 N ATOM 0 H ARG A 118 -11.719 -2.719 -2.526 1.00 71.20 H new ATOM 0 HA ARG A 118 -11.938 -0.149 -1.223 1.00 73.32 H new ATOM 0 HB2 ARG A 118 -10.170 -2.515 -0.497 1.00 21.15 H new ATOM 0 HB3 ARG A 118 -10.747 -1.247 0.565 1.00 21.15 H new ATOM 0 HG2 ARG A 118 -12.384 -3.500 -0.677 1.00 72.54 H new ATOM 0 HG3 ARG A 118 -12.016 -3.269 1.021 1.00 72.54 H new ATOM 0 HD2 ARG A 118 -13.569 -1.481 1.252 1.00 4.10 H new ATOM 0 HD3 ARG A 118 -13.612 -1.160 -0.470 1.00 4.10 H new ATOM 0 HE ARG A 118 -14.566 -3.840 0.166 1.00 52.42 H new ATOM 0 HH11 ARG A 118 -15.584 -0.419 0.049 1.00 72.11 H new ATOM 0 HH12 ARG A 118 -17.286 -0.839 -0.168 1.00 72.11 H new ATOM 0 HH21 ARG A 118 -16.720 -4.319 -0.143 1.00 71.53 H new ATOM 0 HH22 ARG A 118 -17.922 -3.031 -0.276 1.00 71.53 H new ATOM 1964 N LEU A 119 -9.362 -0.797 -3.067 1.00 71.51 N ATOM 1965 CA LEU A 119 -8.184 -0.210 -3.718 1.00 5.24 C ATOM 1966 C LEU A 119 -8.565 1.177 -4.279 1.00 64.33 C ATOM 1967 O LEU A 119 -7.958 2.183 -3.907 1.00 44.51 O ATOM 1968 CB LEU A 119 -7.658 -1.177 -4.831 1.00 2.50 C ATOM 1969 CG LEU A 119 -6.148 -1.064 -5.248 1.00 64.31 C ATOM 1970 CD1 LEU A 119 -5.797 0.286 -5.882 1.00 54.34 C ATOM 1971 CD2 LEU A 119 -5.216 -1.373 -4.060 1.00 51.44 C ATOM 0 H LEU A 119 -9.701 -1.642 -3.526 1.00 71.51 H new ATOM 0 HA LEU A 119 -7.374 -0.075 -3.001 1.00 5.24 H new ATOM 0 HB2 LEU A 119 -7.838 -2.199 -4.498 1.00 2.50 H new ATOM 0 HB3 LEU A 119 -8.264 -1.021 -5.723 1.00 2.50 H new ATOM 0 HG LEU A 119 -5.990 -1.818 -6.019 1.00 64.31 H new ATOM 0 HD11 LEU A 119 -4.740 0.300 -6.147 1.00 54.34 H new ATOM 0 HD12 LEU A 119 -6.398 0.434 -6.779 1.00 54.34 H new ATOM 0 HD13 LEU A 119 -6.003 1.086 -5.171 1.00 54.34 H new ATOM 0 HD21 LEU A 119 -4.178 -1.287 -4.380 1.00 51.44 H new ATOM 0 HD22 LEU A 119 -5.407 -0.665 -3.254 1.00 51.44 H new ATOM 0 HD23 LEU A 119 -5.403 -2.386 -3.705 1.00 51.44 H new ATOM 1983 N LYS A 120 -9.620 1.212 -5.132 1.00 63.13 N ATOM 1984 CA LYS A 120 -10.125 2.468 -5.734 1.00 74.04 C ATOM 1985 C LYS A 120 -10.616 3.421 -4.636 1.00 31.32 C ATOM 1986 O LYS A 120 -10.403 4.627 -4.718 1.00 31.13 O ATOM 1987 CB LYS A 120 -11.274 2.184 -6.739 1.00 24.01 C ATOM 1988 CG LYS A 120 -11.765 3.438 -7.514 1.00 11.33 C ATOM 1989 CD LYS A 120 -12.872 3.129 -8.546 1.00 54.15 C ATOM 1990 CE LYS A 120 -14.176 2.634 -7.902 1.00 12.51 C ATOM 1991 NZ LYS A 120 -14.771 3.656 -6.999 1.00 40.14 N ATOM 0 H LYS A 120 -10.137 0.381 -5.418 1.00 63.13 H new ATOM 0 HA LYS A 120 -9.303 2.936 -6.276 1.00 74.04 H new ATOM 0 HB2 LYS A 120 -10.938 1.436 -7.457 1.00 24.01 H new ATOM 0 HB3 LYS A 120 -12.116 1.752 -6.199 1.00 24.01 H new ATOM 0 HG2 LYS A 120 -12.139 4.173 -6.801 1.00 11.33 H new ATOM 0 HG3 LYS A 120 -10.918 3.893 -8.027 1.00 11.33 H new ATOM 0 HD2 LYS A 120 -13.079 4.027 -9.127 1.00 54.15 H new ATOM 0 HD3 LYS A 120 -12.509 2.374 -9.244 1.00 54.15 H new ATOM 0 HE2 LYS A 120 -14.892 2.378 -8.683 1.00 12.51 H new ATOM 0 HE3 LYS A 120 -13.979 1.722 -7.339 1.00 12.51 H new ATOM 0 HZ1 LYS A 120 -15.683 3.311 -6.637 1.00 40.14 H new ATOM 0 HZ2 LYS A 120 -14.127 3.832 -6.202 1.00 40.14 H new ATOM 0 HZ3 LYS A 120 -14.920 4.540 -7.526 1.00 40.14 H new ATOM 2005 N GLU A 121 -11.240 2.827 -3.600 1.00 53.03 N ATOM 2006 CA GLU A 121 -11.797 3.542 -2.445 1.00 74.23 C ATOM 2007 C GLU A 121 -10.719 4.401 -1.754 1.00 62.12 C ATOM 2008 O GLU A 121 -10.958 5.575 -1.466 1.00 74.11 O ATOM 2009 CB GLU A 121 -12.399 2.514 -1.461 1.00 23.11 C ATOM 2010 CG GLU A 121 -13.282 3.105 -0.354 1.00 50.41 C ATOM 2011 CD GLU A 121 -13.714 2.060 0.684 1.00 40.41 C ATOM 2012 OE1 GLU A 121 -13.139 2.023 1.793 1.00 4.00 O ATOM 2013 OE2 GLU A 121 -14.623 1.256 0.391 1.00 72.15 O ATOM 0 H GLU A 121 -11.371 1.817 -3.546 1.00 53.03 H new ATOM 0 HA GLU A 121 -12.581 4.219 -2.784 1.00 74.23 H new ATOM 0 HB2 GLU A 121 -12.989 1.795 -2.029 1.00 23.11 H new ATOM 0 HB3 GLU A 121 -11.583 1.960 -0.996 1.00 23.11 H new ATOM 0 HG2 GLU A 121 -12.740 3.906 0.148 1.00 50.41 H new ATOM 0 HG3 GLU A 121 -14.169 3.553 -0.803 1.00 50.41 H new ATOM 2020 N LEU A 122 -9.524 3.801 -1.535 1.00 10.32 N ATOM 2021 CA LEU A 122 -8.373 4.504 -0.937 1.00 73.30 C ATOM 2022 C LEU A 122 -7.889 5.632 -1.859 1.00 72.14 C ATOM 2023 O LEU A 122 -7.696 6.753 -1.405 1.00 62.34 O ATOM 2024 CB LEU A 122 -7.195 3.536 -0.628 1.00 20.44 C ATOM 2025 CG LEU A 122 -7.428 2.466 0.485 1.00 42.34 C ATOM 2026 CD1 LEU A 122 -6.130 1.690 0.755 1.00 53.35 C ATOM 2027 CD2 LEU A 122 -7.985 3.090 1.782 1.00 20.31 C ATOM 0 H LEU A 122 -9.336 2.826 -1.767 1.00 10.32 H new ATOM 0 HA LEU A 122 -8.715 4.929 0.007 1.00 73.30 H new ATOM 0 HB2 LEU A 122 -6.935 3.015 -1.549 1.00 20.44 H new ATOM 0 HB3 LEU A 122 -6.330 4.135 -0.345 1.00 20.44 H new ATOM 0 HG LEU A 122 -8.184 1.769 0.123 1.00 42.34 H new ATOM 0 HD11 LEU A 122 -6.305 0.947 1.533 1.00 53.35 H new ATOM 0 HD12 LEU A 122 -5.808 1.190 -0.159 1.00 53.35 H new ATOM 0 HD13 LEU A 122 -5.354 2.382 1.082 1.00 53.35 H new ATOM 0 HD21 LEU A 122 -8.131 2.309 2.528 1.00 20.31 H new ATOM 0 HD22 LEU A 122 -7.279 3.828 2.163 1.00 20.31 H new ATOM 0 HD23 LEU A 122 -8.939 3.575 1.572 1.00 20.31 H new ATOM 2039 N LEU A 123 -7.730 5.318 -3.162 1.00 73.34 N ATOM 2040 CA LEU A 123 -7.289 6.293 -4.190 1.00 43.42 C ATOM 2041 C LEU A 123 -8.197 7.546 -4.221 1.00 3.30 C ATOM 2042 O LEU A 123 -7.709 8.661 -4.409 1.00 53.43 O ATOM 2043 CB LEU A 123 -7.214 5.614 -5.600 1.00 22.41 C ATOM 2044 CG LEU A 123 -5.845 4.947 -5.975 1.00 65.51 C ATOM 2045 CD1 LEU A 123 -4.720 5.998 -6.048 1.00 61.13 C ATOM 2046 CD2 LEU A 123 -5.462 3.808 -5.008 1.00 42.31 C ATOM 0 H LEU A 123 -7.903 4.384 -3.534 1.00 73.34 H new ATOM 0 HA LEU A 123 -6.288 6.629 -3.918 1.00 43.42 H new ATOM 0 HB2 LEU A 123 -7.993 4.853 -5.656 1.00 22.41 H new ATOM 0 HB3 LEU A 123 -7.447 6.365 -6.355 1.00 22.41 H new ATOM 0 HG LEU A 123 -5.972 4.502 -6.962 1.00 65.51 H new ATOM 0 HD11 LEU A 123 -3.782 5.509 -6.310 1.00 61.13 H new ATOM 0 HD12 LEU A 123 -4.965 6.742 -6.806 1.00 61.13 H new ATOM 0 HD13 LEU A 123 -4.616 6.488 -5.080 1.00 61.13 H new ATOM 0 HD21 LEU A 123 -4.507 3.379 -5.311 1.00 42.31 H new ATOM 0 HD22 LEU A 123 -5.378 4.203 -3.996 1.00 42.31 H new ATOM 0 HD23 LEU A 123 -6.231 3.036 -5.033 1.00 42.31 H new ATOM 2058 N GLU A 124 -9.505 7.342 -3.986 1.00 74.53 N ATOM 2059 CA GLU A 124 -10.507 8.425 -3.951 1.00 41.12 C ATOM 2060 C GLU A 124 -10.380 9.258 -2.656 1.00 44.21 C ATOM 2061 O GLU A 124 -10.590 10.469 -2.686 1.00 2.42 O ATOM 2062 CB GLU A 124 -11.928 7.824 -4.107 1.00 24.43 C ATOM 2063 CG GLU A 124 -12.175 7.167 -5.489 1.00 41.52 C ATOM 2064 CD GLU A 124 -13.489 6.376 -5.568 1.00 4.12 C ATOM 2065 OE1 GLU A 124 -13.568 5.301 -4.940 1.00 25.50 O ATOM 2066 OE2 GLU A 124 -14.440 6.809 -6.258 1.00 41.24 O ATOM 0 H GLU A 124 -9.900 6.417 -3.814 1.00 74.53 H new ATOM 0 HA GLU A 124 -10.326 9.104 -4.784 1.00 41.12 H new ATOM 0 HB2 GLU A 124 -12.086 7.080 -3.327 1.00 24.43 H new ATOM 0 HB3 GLU A 124 -12.666 8.611 -3.951 1.00 24.43 H new ATOM 0 HG2 GLU A 124 -12.181 7.943 -6.255 1.00 41.52 H new ATOM 0 HG3 GLU A 124 -11.344 6.499 -5.718 1.00 41.52 H new ATOM 2073 N LYS A 125 -10.009 8.599 -1.531 1.00 11.12 N ATOM 2074 CA LYS A 125 -9.737 9.284 -0.232 1.00 52.12 C ATOM 2075 C LYS A 125 -8.464 10.143 -0.321 1.00 62.33 C ATOM 2076 O LYS A 125 -8.335 11.151 0.369 1.00 41.14 O ATOM 2077 CB LYS A 125 -9.553 8.252 0.920 1.00 15.20 C ATOM 2078 CG LYS A 125 -10.756 7.317 1.166 1.00 32.54 C ATOM 2079 CD LYS A 125 -10.401 6.157 2.124 1.00 71.20 C ATOM 2080 CE LYS A 125 -11.485 5.070 2.166 1.00 62.33 C ATOM 2081 NZ LYS A 125 -12.763 5.546 2.753 1.00 70.30 N ATOM 0 H LYS A 125 -9.889 7.587 -1.492 1.00 11.12 H new ATOM 0 HA LYS A 125 -10.598 9.918 -0.020 1.00 52.12 H new ATOM 0 HB2 LYS A 125 -8.677 7.641 0.702 1.00 15.20 H new ATOM 0 HB3 LYS A 125 -9.341 8.795 1.841 1.00 15.20 H new ATOM 0 HG2 LYS A 125 -11.583 7.892 1.583 1.00 32.54 H new ATOM 0 HG3 LYS A 125 -11.099 6.910 0.215 1.00 32.54 H new ATOM 0 HD2 LYS A 125 -9.456 5.711 1.813 1.00 71.20 H new ATOM 0 HD3 LYS A 125 -10.251 6.554 3.128 1.00 71.20 H new ATOM 0 HE2 LYS A 125 -11.669 4.709 1.154 1.00 62.33 H new ATOM 0 HE3 LYS A 125 -11.119 4.222 2.745 1.00 62.33 H new ATOM 0 HZ1 LYS A 125 -13.455 4.769 2.754 1.00 70.30 H new ATOM 0 HZ2 LYS A 125 -12.599 5.865 3.729 1.00 70.30 H new ATOM 0 HZ3 LYS A 125 -13.132 6.337 2.187 1.00 70.30 H new ATOM 2095 N VAL A 126 -7.522 9.695 -1.164 1.00 33.24 N ATOM 2096 CA VAL A 126 -6.224 10.347 -1.358 1.00 61.22 C ATOM 2097 C VAL A 126 -6.362 11.600 -2.246 1.00 74.41 C ATOM 2098 O VAL A 126 -5.769 12.646 -1.949 1.00 20.32 O ATOM 2099 CB VAL A 126 -5.196 9.333 -1.982 1.00 15.40 C ATOM 2100 CG1 VAL A 126 -3.877 10.024 -2.363 1.00 52.11 C ATOM 2101 CG2 VAL A 126 -4.926 8.144 -1.023 1.00 72.32 C ATOM 0 H VAL A 126 -7.644 8.859 -1.736 1.00 33.24 H new ATOM 0 HA VAL A 126 -5.851 10.668 -0.385 1.00 61.22 H new ATOM 0 HB VAL A 126 -5.647 8.943 -2.895 1.00 15.40 H new ATOM 0 HG11 VAL A 126 -3.193 9.291 -2.791 1.00 52.11 H new ATOM 0 HG12 VAL A 126 -4.075 10.807 -3.095 1.00 52.11 H new ATOM 0 HG13 VAL A 126 -3.427 10.465 -1.473 1.00 52.11 H new ATOM 0 HG21 VAL A 126 -4.212 7.461 -1.483 1.00 72.32 H new ATOM 0 HG22 VAL A 126 -4.517 8.519 -0.085 1.00 72.32 H new ATOM 0 HG23 VAL A 126 -5.859 7.616 -0.827 1.00 72.32 H new