USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 MET CE :methyl 138:sc= -5.24! (180deg=-4.16!) USER MOD Set 1.2: C 73 THR OG1 : rot -109:sc= -1.89 USER MOD Set 2.1: A 73 THR OG1 : rot -109:sc= -1.8 USER MOD Set 2.2: C 69 MET CE :methyl 140:sc= -5.04! (180deg=-4.23!) USER MOD Set 3.1: B 73 THR OG1 : rot 140:sc= -0.747 USER MOD Set 3.2: D 62 GLN : amide:sc= -5.79! C(o=-6.5!,f=-9.4!) USER MOD Set 4.1: B 62 GLN : amide:sc= -5.9! C(o=-6.7!,f=-9.6!) USER MOD Set 4.2: D 73 THR OG1 : rot 140:sc= -0.836 USER MOD Single : A 62 GLN : amide:sc= -2.81! C(o=-2.8!,f=-9.2!) USER MOD Single : A 63 SER OG : rot 92:sc= 1.05 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= -0.0553 (180deg=-0.385) USER MOD Single : A 78 TYR OH : rot -90:sc= -6.02! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -48:sc= -0.15 USER MOD Single : B 63 SER OG : rot 89:sc= 0.954 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0743) USER MOD Single : B 69 MET CE :methyl 165:sc= -4.16! (180deg=-5.04!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -2.72! C(o=-2.7!,f=-9!) USER MOD Single : C 63 SER OG : rot 90:sc= 1.14 USER MOD Single : C 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 75 LYS NZ :NH3+ 152:sc= -0.0651 (180deg=-0.436) USER MOD Single : C 78 TYR OH : rot -98:sc= -6.69! USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 81 THR OG1 : rot -66:sc= -0.18 USER MOD Single : D 63 SER OG : rot 83:sc= 0.911 USER MOD Single : D 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 68 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0698) USER MOD Single : D 69 MET CE :methyl 165:sc= -4.34! (180deg=-5.33!) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot 180:sc= 0 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 24.295 -12.492 -17.157 1.00 34.04 N ATOM 54 CA ALA A 55 24.293 -11.130 -16.642 1.00 32.92 C ATOM 55 C ALA A 55 23.618 -11.075 -15.276 1.00 30.36 C ATOM 56 O ALA A 55 24.089 -10.393 -14.366 1.00 29.32 O ATOM 57 CB ALA A 55 23.598 -10.193 -17.618 1.00 33.64 C ATOM 0 HA ALA A 55 25.327 -10.804 -16.528 1.00 32.92 H new ATOM 0 HB1 ALA A 55 23.606 -9.179 -17.217 1.00 33.64 H new ATOM 0 HB2 ALA A 55 24.122 -10.209 -18.574 1.00 33.64 H new ATOM 0 HB3 ALA A 55 22.568 -10.518 -17.763 1.00 33.64 H new ATOM 63 N GLU A 56 22.515 -11.804 -15.139 1.00 29.39 N ATOM 64 CA GLU A 56 21.780 -11.845 -13.882 1.00 26.97 C ATOM 65 C GLU A 56 22.647 -12.431 -12.777 1.00 26.31 C ATOM 66 O GLU A 56 22.891 -11.789 -11.755 1.00 26.08 O ATOM 67 CB GLU A 56 20.500 -12.668 -14.039 1.00 26.43 C ATOM 68 CG GLU A 56 19.257 -11.968 -13.514 1.00 25.16 C ATOM 69 CD GLU A 56 18.008 -12.816 -13.651 1.00 23.64 C ATOM 70 OE1 GLU A 56 17.812 -13.415 -14.729 1.00 24.18 O ATOM 71 OE2 GLU A 56 17.227 -12.884 -12.678 1.00 21.92 O ATOM 0 H GLU A 56 22.112 -12.374 -15.883 1.00 29.39 H new ATOM 0 HA GLU A 56 21.509 -10.825 -13.609 1.00 26.97 H new ATOM 0 HB2 GLU A 56 20.356 -12.903 -15.094 1.00 26.43 H new ATOM 0 HB3 GLU A 56 20.621 -13.616 -13.515 1.00 26.43 H new ATOM 0 HG2 GLU A 56 19.405 -11.712 -12.465 1.00 25.16 H new ATOM 0 HG3 GLU A 56 19.117 -11.031 -14.054 1.00 25.16 H new ATOM 78 N ARG A 57 23.121 -13.652 -12.996 1.00 26.26 N ATOM 79 CA ARG A 57 23.974 -14.324 -12.026 1.00 25.93 C ATOM 80 C ARG A 57 25.256 -13.530 -11.815 1.00 24.80 C ATOM 81 O ARG A 57 25.697 -13.323 -10.685 1.00 24.18 O ATOM 82 CB ARG A 57 24.304 -15.743 -12.497 1.00 27.37 C ATOM 83 CG ARG A 57 25.283 -15.788 -13.659 1.00 29.20 C ATOM 84 CD ARG A 57 25.524 -17.213 -14.133 1.00 30.78 C ATOM 85 NE ARG A 57 24.295 -17.855 -14.589 1.00 32.24 N ATOM 86 CZ ARG A 57 24.256 -19.065 -15.136 1.00 33.95 C ATOM 87 NH1 ARG A 57 25.375 -19.759 -15.294 1.00 34.34 N ATOM 88 NH2 ARG A 57 23.099 -19.584 -15.524 1.00 35.37 N ATOM 0 H ARG A 57 22.928 -14.196 -13.837 1.00 26.26 H new ATOM 0 HA ARG A 57 23.439 -14.388 -11.078 1.00 25.93 H new ATOM 0 HB2 ARG A 57 24.719 -16.306 -11.661 1.00 27.37 H new ATOM 0 HB3 ARG A 57 23.381 -16.243 -12.791 1.00 27.37 H new ATOM 0 HG2 ARG A 57 24.897 -15.190 -14.484 1.00 29.20 H new ATOM 0 HG3 ARG A 57 26.229 -15.340 -13.356 1.00 29.20 H new ATOM 0 HD2 ARG A 57 26.252 -17.207 -14.944 1.00 30.78 H new ATOM 0 HD3 ARG A 57 25.957 -17.796 -13.321 1.00 30.78 H new ATOM 0 HE ARG A 57 23.417 -17.346 -14.482 1.00 32.24 H new ATOM 0 HH11 ARG A 57 26.267 -19.364 -14.995 1.00 34.34 H new ATOM 0 HH12 ARG A 57 25.344 -20.688 -15.714 1.00 34.34 H new ATOM 0 HH21 ARG A 57 22.236 -19.054 -15.403 1.00 35.37 H new ATOM 0 HH22 ARG A 57 23.072 -20.513 -15.944 1.00 35.37 H new ATOM 102 N LEU A 58 25.842 -13.080 -12.919 1.00 24.77 N ATOM 103 CA LEU A 58 27.069 -12.296 -12.871 1.00 23.90 C ATOM 104 C LEU A 58 26.862 -11.031 -12.043 1.00 22.47 C ATOM 105 O LEU A 58 27.694 -10.678 -11.206 1.00 22.99 O ATOM 106 CB LEU A 58 27.515 -11.932 -14.292 1.00 23.53 C ATOM 107 CG LEU A 58 28.674 -10.938 -14.384 1.00 24.07 C ATOM 108 CD1 LEU A 58 28.182 -9.516 -14.160 1.00 22.40 C ATOM 109 CD2 LEU A 58 29.762 -11.292 -13.383 1.00 24.06 C ATOM 0 H LEU A 58 25.485 -13.246 -13.860 1.00 24.77 H new ATOM 0 HA LEU A 58 27.848 -12.895 -12.398 1.00 23.90 H new ATOM 0 HB2 LEU A 58 27.802 -12.847 -14.810 1.00 23.53 H new ATOM 0 HB3 LEU A 58 26.661 -11.518 -14.827 1.00 23.53 H new ATOM 0 HG LEU A 58 29.097 -10.998 -15.387 1.00 24.07 H new ATOM 0 HD11 LEU A 58 29.022 -8.825 -14.230 1.00 22.40 H new ATOM 0 HD12 LEU A 58 27.441 -9.264 -14.918 1.00 22.40 H new ATOM 0 HD13 LEU A 58 27.730 -9.439 -13.171 1.00 22.40 H new ATOM 0 HD21 LEU A 58 30.578 -10.574 -13.463 1.00 24.06 H new ATOM 0 HD22 LEU A 58 29.351 -11.263 -12.374 1.00 24.06 H new ATOM 0 HD23 LEU A 58 30.138 -12.293 -13.593 1.00 24.06 H new ATOM 121 N ALA A 59 25.741 -10.356 -12.281 1.00 20.78 N ATOM 122 CA ALA A 59 25.417 -9.134 -11.557 1.00 19.47 C ATOM 123 C ALA A 59 25.423 -9.377 -10.052 1.00 20.03 C ATOM 124 O ALA A 59 25.847 -8.521 -9.275 1.00 20.65 O ATOM 125 CB ALA A 59 24.065 -8.599 -12.001 1.00 18.08 C ATOM 0 H ALA A 59 25.043 -10.636 -12.970 1.00 20.78 H new ATOM 0 HA ALA A 59 26.180 -8.390 -11.785 1.00 19.47 H new ATOM 0 HB1 ALA A 59 23.837 -7.686 -11.451 1.00 18.08 H new ATOM 0 HB2 ALA A 59 24.092 -8.382 -13.069 1.00 18.08 H new ATOM 0 HB3 ALA A 59 23.295 -9.345 -11.802 1.00 18.08 H new ATOM 131 N ASP A 60 24.951 -10.552 -9.649 1.00 19.92 N ATOM 132 CA ASP A 60 24.905 -10.912 -8.238 1.00 20.41 C ATOM 133 C ASP A 60 26.309 -10.949 -7.647 1.00 21.10 C ATOM 134 O ASP A 60 26.525 -10.538 -6.506 1.00 21.17 O ATOM 135 CB ASP A 60 24.226 -12.270 -8.056 1.00 20.47 C ATOM 136 CG ASP A 60 23.501 -12.381 -6.730 1.00 19.12 C ATOM 137 OD1 ASP A 60 22.574 -11.581 -6.492 1.00 17.06 O ATOM 138 OD2 ASP A 60 23.863 -13.268 -5.929 1.00 20.34 O ATOM 0 H ASP A 60 24.595 -11.270 -10.280 1.00 19.92 H new ATOM 0 HA ASP A 60 24.325 -10.154 -7.712 1.00 20.41 H new ATOM 0 HB2 ASP A 60 23.518 -12.431 -8.869 1.00 20.47 H new ATOM 0 HB3 ASP A 60 24.974 -13.059 -8.125 1.00 20.47 H new ATOM 143 N GLU A 61 27.262 -11.439 -8.433 1.00 21.62 N ATOM 144 CA GLU A 61 28.647 -11.524 -7.989 1.00 22.31 C ATOM 145 C GLU A 61 29.153 -10.161 -7.538 1.00 21.98 C ATOM 146 O GLU A 61 29.480 -9.963 -6.368 1.00 22.36 O ATOM 147 CB GLU A 61 29.534 -12.066 -9.112 1.00 22.50 C ATOM 148 CG GLU A 61 30.996 -12.206 -8.718 1.00 22.08 C ATOM 149 CD GLU A 61 31.914 -12.338 -9.918 1.00 22.43 C ATOM 150 OE1 GLU A 61 31.403 -12.355 -11.057 1.00 23.16 O ATOM 151 OE2 GLU A 61 33.143 -12.425 -9.717 1.00 22.20 O ATOM 0 H GLU A 61 27.100 -11.783 -9.380 1.00 21.62 H new ATOM 0 HA GLU A 61 28.691 -12.208 -7.142 1.00 22.31 H new ATOM 0 HB2 GLU A 61 29.156 -13.039 -9.425 1.00 22.50 H new ATOM 0 HB3 GLU A 61 29.460 -11.403 -9.974 1.00 22.50 H new ATOM 0 HG2 GLU A 61 31.295 -11.338 -8.131 1.00 22.08 H new ATOM 0 HG3 GLU A 61 31.114 -13.080 -8.077 1.00 22.08 H new ATOM 158 N GLN A 62 29.212 -9.223 -8.475 1.00 21.32 N ATOM 159 CA GLN A 62 29.674 -7.873 -8.177 1.00 20.99 C ATOM 160 C GLN A 62 28.940 -7.304 -6.969 1.00 18.85 C ATOM 161 O GLN A 62 29.533 -6.619 -6.135 1.00 19.23 O ATOM 162 CB GLN A 62 29.474 -6.962 -9.389 1.00 20.76 C ATOM 163 CG GLN A 62 30.671 -6.917 -10.326 1.00 23.33 C ATOM 164 CD GLN A 62 30.974 -8.259 -10.962 1.00 24.51 C ATOM 165 OE1 GLN A 62 30.944 -9.296 -10.300 1.00 25.11 O ATOM 166 NE2 GLN A 62 31.275 -8.246 -12.256 1.00 25.12 N ATOM 0 H GLN A 62 28.946 -9.372 -9.448 1.00 21.32 H new ATOM 0 HA GLN A 62 30.738 -7.922 -7.943 1.00 20.99 H new ATOM 0 HB2 GLN A 62 28.601 -7.301 -9.946 1.00 20.76 H new ATOM 0 HB3 GLN A 62 29.258 -5.952 -9.041 1.00 20.76 H new ATOM 0 HG2 GLN A 62 30.485 -6.183 -11.110 1.00 23.33 H new ATOM 0 HG3 GLN A 62 31.546 -6.577 -9.773 1.00 23.33 H new ATOM 0 HE21 GLN A 62 31.288 -7.364 -12.768 1.00 25.12 H new ATOM 0 HE22 GLN A 62 31.493 -9.118 -12.738 1.00 25.12 H new ATOM 175 N SER A 63 27.647 -7.596 -6.877 1.00 16.80 N ATOM 176 CA SER A 63 26.834 -7.117 -5.766 1.00 14.79 C ATOM 177 C SER A 63 27.388 -7.622 -4.438 1.00 14.42 C ATOM 178 O SER A 63 27.268 -6.958 -3.409 1.00 12.49 O ATOM 179 CB SER A 63 25.383 -7.572 -5.934 1.00 15.12 C ATOM 180 OG SER A 63 24.936 -7.371 -7.264 1.00 15.83 O ATOM 0 H SER A 63 27.140 -8.162 -7.558 1.00 16.80 H new ATOM 0 HA SER A 63 26.865 -6.027 -5.765 1.00 14.79 H new ATOM 0 HB2 SER A 63 25.297 -8.627 -5.674 1.00 15.12 H new ATOM 0 HB3 SER A 63 24.744 -7.020 -5.245 1.00 15.12 H new ATOM 0 HG SER A 63 25.091 -8.185 -7.788 1.00 15.83 H new ATOM 186 N GLU A 64 28.001 -8.802 -4.471 1.00 16.54 N ATOM 187 CA GLU A 64 28.579 -9.399 -3.274 1.00 16.93 C ATOM 188 C GLU A 64 29.855 -8.668 -2.869 1.00 16.07 C ATOM 189 O GLU A 64 30.114 -8.459 -1.684 1.00 16.32 O ATOM 190 CB GLU A 64 28.879 -10.881 -3.510 1.00 19.66 C ATOM 191 CG GLU A 64 28.394 -11.786 -2.388 1.00 21.10 C ATOM 192 CD GLU A 64 29.535 -12.386 -1.590 1.00 23.39 C ATOM 193 OE1 GLU A 64 30.287 -11.615 -0.957 1.00 24.06 O ATOM 194 OE2 GLU A 64 29.677 -13.627 -1.597 1.00 24.63 O ATOM 0 H GLU A 64 28.110 -9.363 -5.316 1.00 16.54 H new ATOM 0 HA GLU A 64 27.854 -9.308 -2.465 1.00 16.93 H new ATOM 0 HB2 GLU A 64 28.413 -11.193 -4.445 1.00 19.66 H new ATOM 0 HB3 GLU A 64 29.954 -11.011 -3.631 1.00 19.66 H new ATOM 0 HG2 GLU A 64 27.748 -11.216 -1.720 1.00 21.10 H new ATOM 0 HG3 GLU A 64 27.788 -12.588 -2.809 1.00 21.10 H new ATOM 201 N LEU A 65 30.648 -8.280 -3.864 1.00 15.16 N ATOM 202 CA LEU A 65 31.896 -7.569 -3.612 1.00 14.39 C ATOM 203 C LEU A 65 31.641 -6.299 -2.807 1.00 13.68 C ATOM 204 O LEU A 65 32.396 -5.968 -1.894 1.00 14.21 O ATOM 205 CB LEU A 65 32.585 -7.221 -4.933 1.00 14.26 C ATOM 206 CG LEU A 65 32.685 -8.373 -5.934 1.00 14.23 C ATOM 207 CD1 LEU A 65 33.469 -7.946 -7.165 1.00 13.56 C ATOM 208 CD2 LEU A 65 33.330 -9.589 -5.284 1.00 15.96 C ATOM 0 H LEU A 65 30.448 -8.446 -4.850 1.00 15.16 H new ATOM 0 HA LEU A 65 32.549 -8.222 -3.032 1.00 14.39 H new ATOM 0 HB2 LEU A 65 32.044 -6.399 -5.402 1.00 14.26 H new ATOM 0 HB3 LEU A 65 33.590 -6.859 -4.717 1.00 14.26 H new ATOM 0 HG LEU A 65 31.677 -8.644 -6.248 1.00 14.23 H new ATOM 0 HD11 LEU A 65 33.529 -8.779 -7.865 1.00 13.56 H new ATOM 0 HD12 LEU A 65 32.966 -7.106 -7.643 1.00 13.56 H new ATOM 0 HD13 LEU A 65 34.475 -7.647 -6.870 1.00 13.56 H new ATOM 0 HD21 LEU A 65 33.393 -10.399 -6.010 1.00 15.96 H new ATOM 0 HD22 LEU A 65 34.332 -9.330 -4.941 1.00 15.96 H new ATOM 0 HD23 LEU A 65 32.727 -9.910 -4.434 1.00 15.96 H new ATOM 220 N VAL A 66 30.569 -5.594 -3.153 1.00 12.73 N ATOM 221 CA VAL A 66 30.210 -4.363 -2.463 1.00 12.06 C ATOM 222 C VAL A 66 29.770 -4.647 -1.033 1.00 10.68 C ATOM 223 O VAL A 66 30.242 -4.014 -0.089 1.00 10.59 O ATOM 224 CB VAL A 66 29.081 -3.614 -3.195 1.00 12.60 C ATOM 225 CG1 VAL A 66 28.748 -2.315 -2.477 1.00 11.95 C ATOM 226 CG2 VAL A 66 29.466 -3.348 -4.643 1.00 14.19 C ATOM 0 H VAL A 66 29.934 -5.855 -3.908 1.00 12.73 H new ATOM 0 HA VAL A 66 31.101 -3.736 -2.451 1.00 12.06 H new ATOM 0 HB VAL A 66 28.191 -4.243 -3.190 1.00 12.60 H new ATOM 0 HG11 VAL A 66 27.948 -1.800 -3.009 1.00 11.95 H new ATOM 0 HG12 VAL A 66 28.424 -2.534 -1.459 1.00 11.95 H new ATOM 0 HG13 VAL A 66 29.632 -1.679 -2.447 1.00 11.95 H new ATOM 0 HG21 VAL A 66 28.656 -2.818 -5.143 1.00 14.19 H new ATOM 0 HG22 VAL A 66 30.370 -2.740 -4.673 1.00 14.19 H new ATOM 0 HG23 VAL A 66 29.648 -4.295 -5.151 1.00 14.19 H new ATOM 236 N LYS A 67 28.865 -5.609 -0.878 1.00 10.04 N ATOM 237 CA LYS A 67 28.365 -5.979 0.439 1.00 8.80 C ATOM 238 C LYS A 67 29.518 -6.347 1.367 1.00 8.28 C ATOM 239 O LYS A 67 29.620 -5.831 2.481 1.00 7.96 O ATOM 240 CB LYS A 67 27.388 -7.150 0.327 1.00 10.29 C ATOM 241 CG LYS A 67 26.903 -7.669 1.672 1.00 11.38 C ATOM 242 CD LYS A 67 26.018 -8.893 1.510 1.00 12.55 C ATOM 243 CE LYS A 67 26.267 -9.910 2.611 1.00 13.72 C ATOM 244 NZ LYS A 67 26.798 -11.192 2.072 1.00 14.35 N ATOM 0 H LYS A 67 28.464 -6.145 -1.648 1.00 10.04 H new ATOM 0 HA LYS A 67 27.840 -5.121 0.859 1.00 8.80 H new ATOM 0 HB2 LYS A 67 26.527 -6.839 -0.265 1.00 10.29 H new ATOM 0 HB3 LYS A 67 27.870 -7.964 -0.215 1.00 10.29 H new ATOM 0 HG2 LYS A 67 27.760 -7.919 2.297 1.00 11.38 H new ATOM 0 HG3 LYS A 67 26.350 -6.884 2.188 1.00 11.38 H new ATOM 0 HD2 LYS A 67 24.971 -8.590 1.523 1.00 12.55 H new ATOM 0 HD3 LYS A 67 26.205 -9.353 0.540 1.00 12.55 H new ATOM 0 HE2 LYS A 67 26.973 -9.499 3.332 1.00 13.72 H new ATOM 0 HE3 LYS A 67 25.337 -10.099 3.148 1.00 13.72 H new ATOM 0 HZ1 LYS A 67 26.955 -11.859 2.854 1.00 14.35 H new ATOM 0 HZ2 LYS A 67 26.113 -11.598 1.403 1.00 14.35 H new ATOM 0 HZ3 LYS A 67 27.698 -11.016 1.582 1.00 14.35 H new ATOM 258 N LYS A 68 30.387 -7.237 0.899 1.00 8.71 N ATOM 259 CA LYS A 68 31.536 -7.666 1.687 1.00 8.91 C ATOM 260 C LYS A 68 32.354 -6.463 2.140 1.00 8.64 C ATOM 261 O LYS A 68 32.845 -6.421 3.269 1.00 10.28 O ATOM 262 CB LYS A 68 32.413 -8.620 0.874 1.00 11.10 C ATOM 263 CG LYS A 68 33.216 -9.586 1.729 1.00 11.89 C ATOM 264 CD LYS A 68 32.537 -10.943 1.824 1.00 10.71 C ATOM 265 CE LYS A 68 33.099 -11.919 0.804 1.00 11.77 C ATOM 266 NZ LYS A 68 32.673 -13.319 1.080 1.00 11.37 N ATOM 0 H LYS A 68 30.318 -7.674 -0.020 1.00 8.71 H new ATOM 0 HA LYS A 68 31.169 -8.190 2.569 1.00 8.91 H new ATOM 0 HB2 LYS A 68 31.781 -9.190 0.193 1.00 11.10 H new ATOM 0 HB3 LYS A 68 33.098 -8.036 0.260 1.00 11.10 H new ATOM 0 HG2 LYS A 68 34.213 -9.706 1.305 1.00 11.89 H new ATOM 0 HG3 LYS A 68 33.342 -9.170 2.729 1.00 11.89 H new ATOM 0 HD2 LYS A 68 32.669 -11.348 2.827 1.00 10.71 H new ATOM 0 HD3 LYS A 68 31.465 -10.827 1.666 1.00 10.71 H new ATOM 0 HE2 LYS A 68 32.770 -11.630 -0.194 1.00 11.77 H new ATOM 0 HE3 LYS A 68 34.188 -11.863 0.810 1.00 11.77 H new ATOM 0 HZ1 LYS A 68 33.078 -13.953 0.362 1.00 11.37 H new ATOM 0 HZ2 LYS A 68 33.008 -13.605 2.022 1.00 11.37 H new ATOM 0 HZ3 LYS A 68 31.635 -13.379 1.049 1.00 11.37 H new ATOM 280 N MET A 69 32.492 -5.482 1.254 1.00 7.02 N ATOM 281 CA MET A 69 33.245 -4.275 1.563 1.00 7.02 C ATOM 282 C MET A 69 32.555 -3.481 2.667 1.00 5.61 C ATOM 283 O MET A 69 33.207 -2.947 3.564 1.00 5.64 O ATOM 284 CB MET A 69 33.397 -3.408 0.311 1.00 7.38 C ATOM 285 CG MET A 69 34.211 -2.145 0.541 1.00 7.10 C ATOM 286 SD MET A 69 34.529 -1.237 -0.984 1.00 7.44 S ATOM 287 CE MET A 69 32.857 -0.884 -1.523 1.00 7.14 C ATOM 0 H MET A 69 32.091 -5.501 0.316 1.00 7.02 H new ATOM 0 HA MET A 69 34.235 -4.569 1.911 1.00 7.02 H new ATOM 0 HB2 MET A 69 33.871 -3.998 -0.474 1.00 7.38 H new ATOM 0 HB3 MET A 69 32.407 -3.131 -0.052 1.00 7.38 H new ATOM 0 HG2 MET A 69 33.681 -1.498 1.241 1.00 7.10 H new ATOM 0 HG3 MET A 69 35.160 -2.409 1.007 1.00 7.10 H new ATOM 0 HE1 MET A 69 32.802 0.140 -1.893 1.00 7.14 H new ATOM 0 HE2 MET A 69 32.579 -1.573 -2.320 1.00 7.14 H new ATOM 0 HE3 MET A 69 32.171 -1.004 -0.684 1.00 7.14 H new ATOM 297 N VAL A 70 31.230 -3.411 2.594 1.00 5.22 N ATOM 298 CA VAL A 70 30.447 -2.690 3.585 1.00 5.98 C ATOM 299 C VAL A 70 30.441 -3.433 4.917 1.00 6.10 C ATOM 300 O VAL A 70 30.557 -2.822 5.978 1.00 5.97 O ATOM 301 CB VAL A 70 28.996 -2.473 3.104 1.00 6.90 C ATOM 302 CG1 VAL A 70 28.129 -1.871 4.203 1.00 8.90 C ATOM 303 CG2 VAL A 70 28.981 -1.587 1.870 1.00 5.34 C ATOM 0 H VAL A 70 30.677 -3.847 1.856 1.00 5.22 H new ATOM 0 HA VAL A 70 30.916 -1.716 3.723 1.00 5.98 H new ATOM 0 HB VAL A 70 28.577 -3.446 2.848 1.00 6.90 H new ATOM 0 HG11 VAL A 70 27.114 -1.732 3.830 1.00 8.90 H new ATOM 0 HG12 VAL A 70 28.111 -2.543 5.061 1.00 8.90 H new ATOM 0 HG13 VAL A 70 28.540 -0.908 4.504 1.00 8.90 H new ATOM 0 HG21 VAL A 70 27.953 -1.441 1.540 1.00 5.34 H new ATOM 0 HG22 VAL A 70 29.426 -0.621 2.110 1.00 5.34 H new ATOM 0 HG23 VAL A 70 29.554 -2.062 1.074 1.00 5.34 H new ATOM 313 N PHE A 71 30.305 -4.753 4.855 1.00 6.76 N ATOM 314 CA PHE A 71 30.289 -5.566 6.063 1.00 7.28 C ATOM 315 C PHE A 71 31.499 -5.253 6.936 1.00 8.16 C ATOM 316 O PHE A 71 31.355 -4.816 8.074 1.00 8.58 O ATOM 317 CB PHE A 71 30.270 -7.058 5.716 1.00 7.22 C ATOM 318 CG PHE A 71 30.401 -7.944 6.922 1.00 7.47 C ATOM 319 CD1 PHE A 71 29.594 -7.734 8.049 1.00 7.41 C ATOM 320 CD2 PHE A 71 31.339 -8.986 6.946 1.00 8.30 C ATOM 321 CE1 PHE A 71 29.720 -8.547 9.178 1.00 7.88 C ATOM 322 CE2 PHE A 71 31.468 -9.804 8.072 1.00 9.15 C ATOM 323 CZ PHE A 71 30.658 -9.583 9.189 1.00 8.83 C ATOM 0 H PHE A 71 30.205 -5.279 3.987 1.00 6.76 H new ATOM 0 HA PHE A 71 29.382 -5.325 6.617 1.00 7.28 H new ATOM 0 HB2 PHE A 71 29.340 -7.293 5.199 1.00 7.22 H new ATOM 0 HB3 PHE A 71 31.083 -7.274 5.023 1.00 7.22 H new ATOM 0 HD1 PHE A 71 28.867 -6.935 8.044 1.00 7.41 H new ATOM 0 HD2 PHE A 71 31.968 -9.158 6.085 1.00 8.30 H new ATOM 0 HE1 PHE A 71 29.094 -8.375 10.041 1.00 7.88 H new ATOM 0 HE2 PHE A 71 32.192 -10.605 8.079 1.00 9.15 H new ATOM 0 HZ PHE A 71 30.757 -10.213 10.061 1.00 8.83 H new ATOM 333 N ASP A 72 32.690 -5.479 6.392 1.00 8.47 N ATOM 334 CA ASP A 72 33.923 -5.218 7.124 1.00 9.36 C ATOM 335 C ASP A 72 33.931 -3.799 7.681 1.00 10.05 C ATOM 336 O ASP A 72 34.269 -3.581 8.846 1.00 11.38 O ATOM 337 CB ASP A 72 35.135 -5.431 6.216 1.00 9.26 C ATOM 338 CG ASP A 72 35.349 -6.892 5.872 1.00 8.74 C ATOM 339 OD1 ASP A 72 36.000 -7.599 6.670 1.00 10.20 O ATOM 340 OD2 ASP A 72 34.865 -7.328 4.808 1.00 6.95 O ATOM 0 H ASP A 72 32.827 -5.842 5.449 1.00 8.47 H new ATOM 0 HA ASP A 72 33.978 -5.917 7.958 1.00 9.36 H new ATOM 0 HB2 ASP A 72 35.002 -4.860 5.297 1.00 9.26 H new ATOM 0 HB3 ASP A 72 36.027 -5.042 6.707 1.00 9.26 H new ATOM 345 N THR A 73 33.550 -2.835 6.847 1.00 9.48 N ATOM 346 CA THR A 73 33.510 -1.440 7.265 1.00 10.01 C ATOM 347 C THR A 73 32.474 -1.246 8.368 1.00 11.57 C ATOM 348 O THR A 73 32.820 -0.988 9.521 1.00 13.30 O ATOM 349 CB THR A 73 33.189 -0.533 6.070 1.00 8.06 C ATOM 350 OG1 THR A 73 34.286 -0.480 5.174 1.00 7.44 O ATOM 351 CG2 THR A 73 32.847 0.893 6.458 1.00 6.70 C ATOM 0 H THR A 73 33.266 -2.995 5.881 1.00 9.48 H new ATOM 0 HA THR A 73 34.490 -1.168 7.656 1.00 10.01 H new ATOM 0 HB THR A 73 32.311 -0.980 5.604 1.00 8.06 H new ATOM 0 HG1 THR A 73 34.705 0.405 5.222 1.00 7.44 H new ATOM 0 HG21 THR A 73 32.632 1.473 5.560 1.00 6.70 H new ATOM 0 HG22 THR A 73 31.972 0.893 7.108 1.00 6.70 H new ATOM 0 HG23 THR A 73 33.691 1.339 6.985 1.00 6.70 H new ATOM 359 N LEU A 74 31.202 -1.374 8.006 1.00 11.29 N ATOM 360 CA LEU A 74 30.117 -1.215 8.967 1.00 13.13 C ATOM 361 C LEU A 74 30.360 -2.064 10.209 1.00 13.29 C ATOM 362 O LEU A 74 30.041 -1.655 11.324 1.00 14.20 O ATOM 363 CB LEU A 74 28.781 -1.589 8.324 1.00 13.91 C ATOM 364 CG LEU A 74 28.284 -0.613 7.254 1.00 12.52 C ATOM 365 CD1 LEU A 74 26.813 -0.850 6.963 1.00 14.76 C ATOM 366 CD2 LEU A 74 28.516 0.827 7.691 1.00 11.20 C ATOM 0 H LEU A 74 30.898 -1.587 7.056 1.00 11.29 H new ATOM 0 HA LEU A 74 30.083 -0.169 9.271 1.00 13.13 H new ATOM 0 HB2 LEU A 74 28.874 -2.579 7.877 1.00 13.91 H new ATOM 0 HB3 LEU A 74 28.026 -1.663 9.107 1.00 13.91 H new ATOM 0 HG LEU A 74 28.851 -0.788 6.339 1.00 12.52 H new ATOM 0 HD11 LEU A 74 26.475 -0.148 6.200 1.00 14.76 H new ATOM 0 HD12 LEU A 74 26.673 -1.870 6.605 1.00 14.76 H new ATOM 0 HD13 LEU A 74 26.233 -0.702 7.874 1.00 14.76 H new ATOM 0 HD21 LEU A 74 28.156 1.505 6.917 1.00 11.20 H new ATOM 0 HD22 LEU A 74 27.977 1.017 8.619 1.00 11.20 H new ATOM 0 HD23 LEU A 74 29.582 0.992 7.850 1.00 11.20 H new ATOM 378 N LYS A 75 30.936 -3.242 10.010 1.00 12.42 N ATOM 379 CA LYS A 75 31.234 -4.142 11.116 1.00 12.47 C ATOM 380 C LYS A 75 32.090 -3.430 12.154 1.00 12.54 C ATOM 381 O LYS A 75 31.644 -3.159 13.269 1.00 13.24 O ATOM 382 CB LYS A 75 31.962 -5.388 10.609 1.00 10.78 C ATOM 383 CG LYS A 75 32.416 -6.323 11.716 1.00 10.94 C ATOM 384 CD LYS A 75 32.262 -7.781 11.311 1.00 10.66 C ATOM 385 CE LYS A 75 33.563 -8.547 11.490 1.00 10.33 C ATOM 386 NZ LYS A 75 34.080 -8.446 12.883 1.00 11.13 N ATOM 0 H LYS A 75 31.206 -3.597 9.093 1.00 12.42 H new ATOM 0 HA LYS A 75 30.295 -4.447 11.577 1.00 12.47 H new ATOM 0 HB2 LYS A 75 31.303 -5.933 9.933 1.00 10.78 H new ATOM 0 HB3 LYS A 75 32.831 -5.079 10.028 1.00 10.78 H new ATOM 0 HG2 LYS A 75 33.459 -6.120 11.960 1.00 10.94 H new ATOM 0 HG3 LYS A 75 31.834 -6.131 12.618 1.00 10.94 H new ATOM 0 HD2 LYS A 75 31.479 -8.246 11.910 1.00 10.66 H new ATOM 0 HD3 LYS A 75 31.944 -7.839 10.270 1.00 10.66 H new ATOM 0 HE2 LYS A 75 33.405 -9.595 11.237 1.00 10.33 H new ATOM 0 HE3 LYS A 75 34.310 -8.161 10.797 1.00 10.33 H new ATOM 0 HZ1 LYS A 75 34.654 -9.285 13.102 1.00 11.13 H new ATOM 0 HZ2 LYS A 75 34.666 -7.592 12.975 1.00 11.13 H new ATOM 0 HZ3 LYS A 75 33.281 -8.391 13.547 1.00 11.13 H new ATOM 400 N ASP A 76 33.321 -3.123 11.767 1.00 12.21 N ATOM 401 CA ASP A 76 34.253 -2.432 12.650 1.00 12.92 C ATOM 402 C ASP A 76 33.728 -1.048 13.017 1.00 14.97 C ATOM 403 O ASP A 76 33.979 -0.549 14.114 1.00 16.39 O ATOM 404 CB ASP A 76 35.624 -2.311 11.983 1.00 12.03 C ATOM 405 CG ASP A 76 36.731 -2.921 12.821 1.00 13.65 C ATOM 406 OD1 ASP A 76 36.552 -4.058 13.305 1.00 14.32 O ATOM 407 OD2 ASP A 76 37.779 -2.262 12.990 1.00 14.68 O ATOM 0 H ASP A 76 33.699 -3.342 10.845 1.00 12.21 H new ATOM 0 HA ASP A 76 34.352 -3.017 13.564 1.00 12.92 H new ATOM 0 HB2 ASP A 76 35.596 -2.802 11.010 1.00 12.03 H new ATOM 0 HB3 ASP A 76 35.846 -1.259 11.803 1.00 12.03 H new ATOM 412 N LEU A 77 32.996 -0.431 12.094 1.00 15.27 N ATOM 413 CA LEU A 77 32.435 0.894 12.324 1.00 17.27 C ATOM 414 C LEU A 77 31.395 0.851 13.438 1.00 19.32 C ATOM 415 O LEU A 77 31.582 1.445 14.500 1.00 21.23 O ATOM 416 CB LEU A 77 31.817 1.436 11.027 1.00 16.94 C ATOM 417 CG LEU A 77 30.822 2.591 11.192 1.00 17.06 C ATOM 418 CD1 LEU A 77 31.302 3.573 12.251 1.00 16.06 C ATOM 419 CD2 LEU A 77 30.610 3.301 9.864 1.00 17.43 C ATOM 0 H LEU A 77 32.778 -0.828 11.180 1.00 15.27 H new ATOM 0 HA LEU A 77 33.237 1.564 12.635 1.00 17.27 H new ATOM 0 HB2 LEU A 77 32.624 1.768 10.373 1.00 16.94 H new ATOM 0 HB3 LEU A 77 31.311 0.616 10.518 1.00 16.94 H new ATOM 0 HG LEU A 77 29.869 2.176 11.521 1.00 17.06 H new ATOM 0 HD11 LEU A 77 30.580 4.383 12.350 1.00 16.06 H new ATOM 0 HD12 LEU A 77 31.402 3.058 13.206 1.00 16.06 H new ATOM 0 HD13 LEU A 77 32.268 3.982 11.956 1.00 16.06 H new ATOM 0 HD21 LEU A 77 29.901 4.118 9.997 1.00 17.43 H new ATOM 0 HD22 LEU A 77 31.560 3.699 9.509 1.00 17.43 H new ATOM 0 HD23 LEU A 77 30.216 2.595 9.133 1.00 17.43 H new ATOM 431 N TYR A 78 30.300 0.140 13.192 1.00 19.10 N ATOM 432 CA TYR A 78 29.235 0.015 14.179 1.00 21.11 C ATOM 433 C TYR A 78 29.779 -0.531 15.495 1.00 22.35 C ATOM 434 O TYR A 78 29.204 -0.299 16.558 1.00 23.12 O ATOM 435 CB TYR A 78 28.122 -0.893 13.652 1.00 22.37 C ATOM 436 CG TYR A 78 27.409 -0.345 12.433 1.00 22.19 C ATOM 437 CD1 TYR A 78 27.392 1.036 12.161 1.00 22.37 C ATOM 438 CD2 TYR A 78 26.745 -1.206 11.542 1.00 22.13 C ATOM 439 CE1 TYR A 78 26.733 1.541 11.038 1.00 22.77 C ATOM 440 CE2 TYR A 78 26.084 -0.706 10.416 1.00 22.37 C ATOM 441 CZ TYR A 78 26.081 0.667 10.169 1.00 22.83 C ATOM 442 OH TYR A 78 25.432 1.162 9.062 1.00 23.58 O ATOM 0 H TYR A 78 30.127 -0.358 12.319 1.00 19.10 H new ATOM 0 HA TYR A 78 28.822 1.007 14.361 1.00 21.11 H new ATOM 0 HB2 TYR A 78 28.546 -1.866 13.406 1.00 22.37 H new ATOM 0 HB3 TYR A 78 27.392 -1.055 14.445 1.00 22.37 H new ATOM 0 HD1 TYR A 78 27.897 1.716 12.831 1.00 22.37 H new ATOM 0 HD2 TYR A 78 26.745 -2.270 11.730 1.00 22.13 H new ATOM 0 HE1 TYR A 78 26.728 2.603 10.844 1.00 22.77 H new ATOM 0 HE2 TYR A 78 25.578 -1.380 9.740 1.00 22.37 H new ATOM 0 HH TYR A 78 24.502 1.366 9.292 1.00 23.58 H new ATOM 452 N LYS A 79 30.893 -1.253 15.418 1.00 22.64 N ATOM 453 CA LYS A 79 31.513 -1.822 16.607 1.00 23.97 C ATOM 454 C LYS A 79 32.122 -0.722 17.469 1.00 23.85 C ATOM 455 O LYS A 79 32.232 -0.863 18.687 1.00 23.82 O ATOM 456 CB LYS A 79 32.589 -2.837 16.215 1.00 23.14 C ATOM 457 CG LYS A 79 32.258 -4.264 16.622 1.00 25.01 C ATOM 458 CD LYS A 79 33.324 -4.844 17.538 1.00 26.32 C ATOM 459 CE LYS A 79 33.060 -6.310 17.844 1.00 27.40 C ATOM 460 NZ LYS A 79 34.018 -6.852 18.846 1.00 28.75 N ATOM 0 H LYS A 79 31.383 -1.457 14.547 1.00 22.64 H new ATOM 0 HA LYS A 79 30.742 -2.333 17.184 1.00 23.97 H new ATOM 0 HB2 LYS A 79 32.735 -2.801 15.135 1.00 23.14 H new ATOM 0 HB3 LYS A 79 33.534 -2.547 16.674 1.00 23.14 H new ATOM 0 HG2 LYS A 79 31.292 -4.285 17.127 1.00 25.01 H new ATOM 0 HG3 LYS A 79 32.165 -4.885 15.731 1.00 25.01 H new ATOM 0 HD2 LYS A 79 34.303 -4.740 17.070 1.00 26.32 H new ATOM 0 HD3 LYS A 79 33.353 -4.277 18.468 1.00 26.32 H new ATOM 0 HE2 LYS A 79 32.042 -6.425 18.217 1.00 27.40 H new ATOM 0 HE3 LYS A 79 33.130 -6.891 16.924 1.00 27.40 H new ATOM 0 HZ1 LYS A 79 33.803 -7.853 19.026 1.00 28.75 H new ATOM 0 HZ2 LYS A 79 34.988 -6.766 18.481 1.00 28.75 H new ATOM 0 HZ3 LYS A 79 33.934 -6.315 19.733 1.00 28.75 H new ATOM 474 N LYS A 80 32.513 0.374 16.828 1.00 23.95 N ATOM 475 CA LYS A 80 33.108 1.501 17.534 1.00 24.02 C ATOM 476 C LYS A 80 32.102 2.128 18.492 1.00 26.91 C ATOM 477 O LYS A 80 32.440 2.480 19.622 1.00 27.54 O ATOM 478 CB LYS A 80 33.606 2.548 16.536 1.00 22.61 C ATOM 479 CG LYS A 80 35.107 2.774 16.591 1.00 21.16 C ATOM 480 CD LYS A 80 35.752 2.553 15.233 1.00 21.10 C ATOM 481 CE LYS A 80 37.194 2.089 15.369 1.00 20.22 C ATOM 482 NZ LYS A 80 38.061 2.651 14.297 1.00 20.14 N ATOM 0 H LYS A 80 32.428 0.505 15.820 1.00 23.95 H new ATOM 0 HA LYS A 80 33.955 1.134 18.114 1.00 24.02 H new ATOM 0 HB2 LYS A 80 33.330 2.237 15.528 1.00 22.61 H new ATOM 0 HB3 LYS A 80 33.097 3.493 16.729 1.00 22.61 H new ATOM 0 HG2 LYS A 80 35.311 3.789 16.931 1.00 21.16 H new ATOM 0 HG3 LYS A 80 35.552 2.098 17.321 1.00 21.16 H new ATOM 0 HD2 LYS A 80 35.181 1.811 14.675 1.00 21.10 H new ATOM 0 HD3 LYS A 80 35.719 3.479 14.659 1.00 21.10 H new ATOM 0 HE2 LYS A 80 37.581 2.388 16.343 1.00 20.22 H new ATOM 0 HE3 LYS A 80 37.230 1.000 15.332 1.00 20.22 H new ATOM 0 HZ1 LYS A 80 39.036 2.311 14.425 1.00 20.14 H new ATOM 0 HZ2 LYS A 80 37.707 2.345 13.368 1.00 20.14 H new ATOM 0 HZ3 LYS A 80 38.047 3.690 14.348 1.00 20.14 H new ATOM 496 N THR A 81 30.863 2.260 18.032 1.00 28.65 N ATOM 497 CA THR A 81 29.802 2.840 18.847 1.00 31.48 C ATOM 498 C THR A 81 29.584 2.020 20.114 1.00 32.50 C ATOM 499 O THR A 81 30.029 2.400 21.197 1.00 32.26 O ATOM 500 CB THR A 81 28.499 2.921 18.049 1.00 32.99 C ATOM 501 OG1 THR A 81 28.097 1.634 17.614 1.00 32.18 O ATOM 502 CG2 THR A 81 28.599 3.806 16.825 1.00 33.04 C ATOM 0 H THR A 81 30.568 1.973 17.099 1.00 28.65 H new ATOM 0 HA THR A 81 30.107 3.847 19.132 1.00 31.48 H new ATOM 0 HB THR A 81 27.769 3.355 18.733 1.00 32.99 H new ATOM 0 HG1 THR A 81 28.860 1.173 17.208 1.00 32.18 H new ATOM 0 HG21 THR A 81 27.641 3.819 16.306 1.00 33.04 H new ATOM 0 HG22 THR A 81 28.860 4.820 17.129 1.00 33.04 H new ATOM 0 HG23 THR A 81 29.368 3.418 16.157 1.00 33.04 H new ATOM 566 N ASP B 54 24.714 -6.183 18.478 1.00 33.76 N ATOM 567 CA ASP B 54 23.906 -5.308 17.636 1.00 31.99 C ATOM 568 C ASP B 54 24.725 -4.763 16.473 1.00 31.26 C ATOM 569 O ASP B 54 24.251 -4.701 15.339 1.00 31.03 O ATOM 570 CB ASP B 54 23.337 -4.152 18.461 1.00 32.94 C ATOM 571 CG ASP B 54 21.935 -3.770 18.030 1.00 31.29 C ATOM 572 OD1 ASP B 54 21.689 -3.694 16.807 1.00 29.41 O ATOM 573 OD2 ASP B 54 21.083 -3.544 18.914 1.00 32.04 O ATOM 0 HA ASP B 54 23.082 -5.896 17.232 1.00 31.99 H new ATOM 0 HB2 ASP B 54 23.327 -4.432 19.514 1.00 32.94 H new ATOM 0 HB3 ASP B 54 23.992 -3.286 18.367 1.00 32.94 H new ATOM 578 N ALA B 55 25.960 -4.371 16.762 1.00 30.97 N ATOM 579 CA ALA B 55 26.850 -3.833 15.742 1.00 30.33 C ATOM 580 C ALA B 55 26.927 -4.764 14.537 1.00 28.97 C ATOM 581 O ALA B 55 26.985 -4.312 13.393 1.00 28.06 O ATOM 582 CB ALA B 55 28.237 -3.598 16.319 1.00 31.20 C ATOM 0 H ALA B 55 26.368 -4.416 17.696 1.00 30.97 H new ATOM 0 HA ALA B 55 26.443 -2.879 15.407 1.00 30.33 H new ATOM 0 HB1 ALA B 55 28.890 -3.196 15.544 1.00 31.20 H new ATOM 0 HB2 ALA B 55 28.173 -2.888 17.144 1.00 31.20 H new ATOM 0 HB3 ALA B 55 28.644 -4.541 16.683 1.00 31.20 H new ATOM 588 N GLU B 56 26.926 -6.066 14.801 1.00 28.85 N ATOM 589 CA GLU B 56 26.993 -7.062 13.738 1.00 27.62 C ATOM 590 C GLU B 56 25.691 -7.099 12.947 1.00 26.71 C ATOM 591 O GLU B 56 25.694 -7.003 11.719 1.00 27.25 O ATOM 592 CB GLU B 56 27.291 -8.444 14.321 1.00 27.87 C ATOM 593 CG GLU B 56 28.327 -9.228 13.532 1.00 29.52 C ATOM 594 CD GLU B 56 27.736 -10.441 12.839 1.00 28.95 C ATOM 595 OE1 GLU B 56 26.650 -10.309 12.236 1.00 28.72 O ATOM 596 OE2 GLU B 56 28.360 -11.521 12.899 1.00 28.75 O ATOM 0 H GLU B 56 26.880 -6.456 15.742 1.00 28.85 H new ATOM 0 HA GLU B 56 27.800 -6.782 13.061 1.00 27.62 H new ATOM 0 HB2 GLU B 56 27.639 -8.328 15.347 1.00 27.87 H new ATOM 0 HB3 GLU B 56 26.366 -9.019 14.361 1.00 27.87 H new ATOM 0 HG2 GLU B 56 28.782 -8.575 12.788 1.00 29.52 H new ATOM 0 HG3 GLU B 56 29.123 -9.550 14.204 1.00 29.52 H new ATOM 603 N ARG B 57 24.577 -7.238 13.659 1.00 25.49 N ATOM 604 CA ARG B 57 23.266 -7.285 13.022 1.00 24.77 C ATOM 605 C ARG B 57 23.021 -6.024 12.200 1.00 22.75 C ATOM 606 O ARG B 57 22.261 -6.040 11.231 1.00 22.15 O ATOM 607 CB ARG B 57 22.168 -7.440 14.077 1.00 25.21 C ATOM 608 CG ARG B 57 22.436 -8.553 15.076 1.00 26.05 C ATOM 609 CD ARG B 57 21.168 -9.321 15.408 1.00 26.77 C ATOM 610 NE ARG B 57 21.391 -10.326 16.443 1.00 28.72 N ATOM 611 CZ ARG B 57 20.473 -11.210 16.820 1.00 28.78 C ATOM 612 NH1 ARG B 57 19.276 -11.213 16.248 1.00 27.06 N ATOM 613 NH2 ARG B 57 20.750 -12.094 17.769 1.00 30.76 N ATOM 0 H ARG B 57 24.556 -7.320 14.675 1.00 25.49 H new ATOM 0 HA ARG B 57 23.242 -8.146 12.355 1.00 24.77 H new ATOM 0 HB2 ARG B 57 22.058 -6.499 14.616 1.00 25.21 H new ATOM 0 HB3 ARG B 57 21.219 -7.634 13.576 1.00 25.21 H new ATOM 0 HG2 ARG B 57 23.181 -9.237 14.669 1.00 26.05 H new ATOM 0 HG3 ARG B 57 22.856 -8.131 15.989 1.00 26.05 H new ATOM 0 HD2 ARG B 57 20.399 -8.624 15.740 1.00 26.77 H new ATOM 0 HD3 ARG B 57 20.792 -9.806 14.507 1.00 26.77 H new ATOM 0 HE ARG B 57 22.301 -10.351 16.902 1.00 28.72 H new ATOM 0 HH11 ARG B 57 19.058 -10.536 15.517 1.00 27.06 H new ATOM 0 HH12 ARG B 57 18.573 -11.893 16.539 1.00 27.06 H new ATOM 0 HH21 ARG B 57 21.669 -12.096 18.211 1.00 30.76 H new ATOM 0 HH22 ARG B 57 20.044 -12.771 18.057 1.00 30.76 H new ATOM 627 N LEU B 58 23.670 -4.934 12.594 1.00 21.83 N ATOM 628 CA LEU B 58 23.526 -3.661 11.897 1.00 20.20 C ATOM 629 C LEU B 58 24.315 -3.663 10.594 1.00 18.37 C ATOM 630 O LEU B 58 23.780 -3.351 9.529 1.00 16.77 O ATOM 631 CB LEU B 58 24.003 -2.512 12.785 1.00 21.43 C ATOM 632 CG LEU B 58 23.021 -2.079 13.874 1.00 21.88 C ATOM 633 CD1 LEU B 58 23.588 -0.908 14.662 1.00 21.42 C ATOM 634 CD2 LEU B 58 21.677 -1.711 13.266 1.00 21.82 C ATOM 0 H LEU B 58 24.302 -4.906 13.394 1.00 21.83 H new ATOM 0 HA LEU B 58 22.470 -3.522 11.666 1.00 20.20 H new ATOM 0 HB2 LEU B 58 24.940 -2.805 13.259 1.00 21.43 H new ATOM 0 HB3 LEU B 58 24.221 -1.652 12.152 1.00 21.43 H new ATOM 0 HG LEU B 58 22.871 -2.916 14.556 1.00 21.88 H new ATOM 0 HD11 LEU B 58 22.878 -0.611 15.434 1.00 21.42 H new ATOM 0 HD12 LEU B 58 24.528 -1.204 15.128 1.00 21.42 H new ATOM 0 HD13 LEU B 58 23.765 -0.069 13.989 1.00 21.42 H new ATOM 0 HD21 LEU B 58 20.991 -1.406 14.056 1.00 21.82 H new ATOM 0 HD22 LEU B 58 21.809 -0.889 12.562 1.00 21.82 H new ATOM 0 HD23 LEU B 58 21.266 -2.574 12.743 1.00 21.82 H new ATOM 646 N ALA B 59 25.590 -4.017 10.687 1.00 18.80 N ATOM 647 CA ALA B 59 26.458 -4.061 9.520 1.00 17.42 C ATOM 648 C ALA B 59 25.891 -4.990 8.454 1.00 16.54 C ATOM 649 O ALA B 59 25.768 -4.612 7.292 1.00 16.94 O ATOM 650 CB ALA B 59 27.859 -4.504 9.916 1.00 18.04 C ATOM 0 H ALA B 59 26.046 -4.278 11.561 1.00 18.80 H new ATOM 0 HA ALA B 59 26.514 -3.056 9.102 1.00 17.42 H new ATOM 0 HB1 ALA B 59 28.495 -4.532 9.032 1.00 18.04 H new ATOM 0 HB2 ALA B 59 28.272 -3.801 10.639 1.00 18.04 H new ATOM 0 HB3 ALA B 59 27.814 -5.498 10.362 1.00 18.04 H new ATOM 656 N ASP B 60 25.542 -6.204 8.861 1.00 15.59 N ATOM 657 CA ASP B 60 24.984 -7.187 7.940 1.00 15.13 C ATOM 658 C ASP B 60 23.698 -6.669 7.306 1.00 12.73 C ATOM 659 O ASP B 60 23.546 -6.685 6.084 1.00 12.46 O ATOM 660 CB ASP B 60 24.712 -8.505 8.669 1.00 15.29 C ATOM 661 CG ASP B 60 24.244 -9.599 7.730 1.00 15.91 C ATOM 662 OD1 ASP B 60 23.076 -9.546 7.292 1.00 14.20 O ATOM 663 OD2 ASP B 60 25.045 -10.510 7.433 1.00 18.15 O ATOM 0 H ASP B 60 25.635 -6.532 9.822 1.00 15.59 H new ATOM 0 HA ASP B 60 25.714 -7.362 7.149 1.00 15.13 H new ATOM 0 HB2 ASP B 60 25.620 -8.830 9.177 1.00 15.29 H new ATOM 0 HB3 ASP B 60 23.957 -8.343 9.438 1.00 15.29 H new ATOM 668 N GLU B 61 22.776 -6.206 8.143 1.00 11.50 N ATOM 669 CA GLU B 61 21.505 -5.680 7.662 1.00 9.35 C ATOM 670 C GLU B 61 21.731 -4.517 6.701 1.00 9.38 C ATOM 671 O GLU B 61 21.004 -4.356 5.721 1.00 9.12 O ATOM 672 CB GLU B 61 20.642 -5.224 8.841 1.00 7.66 C ATOM 673 CG GLU B 61 19.353 -4.539 8.420 1.00 6.70 C ATOM 674 CD GLU B 61 18.468 -5.432 7.573 1.00 5.06 C ATOM 675 OE1 GLU B 61 18.245 -6.595 7.970 1.00 4.85 O ATOM 676 OE2 GLU B 61 17.998 -4.969 6.512 1.00 4.35 O ATOM 0 H GLU B 61 22.885 -6.184 9.157 1.00 11.50 H new ATOM 0 HA GLU B 61 20.986 -6.475 7.127 1.00 9.35 H new ATOM 0 HB2 GLU B 61 20.400 -6.088 9.459 1.00 7.66 H new ATOM 0 HB3 GLU B 61 21.221 -4.541 9.462 1.00 7.66 H new ATOM 0 HG2 GLU B 61 18.804 -4.228 9.309 1.00 6.70 H new ATOM 0 HG3 GLU B 61 19.592 -3.635 7.860 1.00 6.70 H new ATOM 683 N GLN B 62 22.746 -3.710 6.992 1.00 10.16 N ATOM 684 CA GLN B 62 23.074 -2.560 6.157 1.00 10.24 C ATOM 685 C GLN B 62 23.735 -3.004 4.854 1.00 11.02 C ATOM 686 O GLN B 62 23.331 -2.582 3.770 1.00 11.24 O ATOM 687 CB GLN B 62 23.994 -1.603 6.918 1.00 9.84 C ATOM 688 CG GLN B 62 23.275 -0.697 7.915 1.00 9.52 C ATOM 689 CD GLN B 62 22.068 -1.351 8.566 1.00 8.49 C ATOM 690 OE1 GLN B 62 21.172 -1.847 7.883 1.00 8.93 O ATOM 691 NE2 GLN B 62 22.039 -1.350 9.892 1.00 7.82 N ATOM 0 H GLN B 62 23.356 -3.831 7.800 1.00 10.16 H new ATOM 0 HA GLN B 62 22.148 -2.041 5.909 1.00 10.24 H new ATOM 0 HB2 GLN B 62 24.744 -2.187 7.451 1.00 9.84 H new ATOM 0 HB3 GLN B 62 24.526 -0.981 6.199 1.00 9.84 H new ATOM 0 HG2 GLN B 62 23.978 -0.395 8.692 1.00 9.52 H new ATOM 0 HG3 GLN B 62 22.955 0.211 7.404 1.00 9.52 H new ATOM 0 HE21 GLN B 62 22.804 -0.927 10.419 1.00 7.82 H new ATOM 0 HE22 GLN B 62 21.252 -1.772 10.385 1.00 7.82 H new ATOM 700 N SER B 63 24.746 -3.861 4.963 1.00 11.48 N ATOM 701 CA SER B 63 25.448 -4.361 3.786 1.00 12.22 C ATOM 702 C SER B 63 24.478 -5.070 2.853 1.00 11.17 C ATOM 703 O SER B 63 24.363 -4.722 1.677 1.00 9.45 O ATOM 704 CB SER B 63 26.570 -5.319 4.192 1.00 15.25 C ATOM 705 OG SER B 63 27.213 -4.881 5.375 1.00 16.65 O ATOM 0 H SER B 63 25.096 -4.222 5.850 1.00 11.48 H new ATOM 0 HA SER B 63 25.886 -3.510 3.265 1.00 12.22 H new ATOM 0 HB2 SER B 63 26.161 -6.318 4.345 1.00 15.25 H new ATOM 0 HB3 SER B 63 27.299 -5.393 3.385 1.00 15.25 H new ATOM 0 HG SER B 63 26.748 -5.249 6.155 1.00 16.65 H new ATOM 711 N GLU B 64 23.774 -6.064 3.387 1.00 12.65 N ATOM 712 CA GLU B 64 22.803 -6.821 2.609 1.00 12.78 C ATOM 713 C GLU B 64 21.882 -5.882 1.836 1.00 10.44 C ATOM 714 O GLU B 64 21.509 -6.159 0.696 1.00 10.83 O ATOM 715 CB GLU B 64 21.983 -7.727 3.530 1.00 15.08 C ATOM 716 CG GLU B 64 20.961 -6.980 4.372 1.00 14.75 C ATOM 717 CD GLU B 64 19.985 -7.910 5.067 1.00 16.62 C ATOM 718 OE1 GLU B 64 20.440 -8.909 5.663 1.00 19.04 O ATOM 719 OE2 GLU B 64 18.768 -7.639 5.016 1.00 15.67 O ATOM 0 H GLU B 64 23.860 -6.363 4.358 1.00 12.65 H new ATOM 0 HA GLU B 64 23.342 -7.440 1.892 1.00 12.78 H new ATOM 0 HB2 GLU B 64 21.467 -8.473 2.925 1.00 15.08 H new ATOM 0 HB3 GLU B 64 22.661 -8.266 4.192 1.00 15.08 H new ATOM 0 HG2 GLU B 64 21.480 -6.380 5.119 1.00 14.75 H new ATOM 0 HG3 GLU B 64 20.408 -6.288 3.736 1.00 14.75 H new ATOM 726 N LEU B 65 21.527 -4.768 2.466 1.00 8.63 N ATOM 727 CA LEU B 65 20.658 -3.780 1.843 1.00 6.67 C ATOM 728 C LEU B 65 21.321 -3.188 0.603 1.00 5.60 C ATOM 729 O LEU B 65 20.668 -2.971 -0.418 1.00 4.95 O ATOM 730 CB LEU B 65 20.319 -2.669 2.839 1.00 7.56 C ATOM 731 CG LEU B 65 18.826 -2.459 3.092 1.00 8.77 C ATOM 732 CD1 LEU B 65 18.555 -2.298 4.580 1.00 9.51 C ATOM 733 CD2 LEU B 65 18.320 -1.249 2.322 1.00 7.93 C ATOM 0 H LEU B 65 21.829 -4.527 3.410 1.00 8.63 H new ATOM 0 HA LEU B 65 19.736 -4.276 1.540 1.00 6.67 H new ATOM 0 HB2 LEU B 65 20.805 -2.893 3.789 1.00 7.56 H new ATOM 0 HB3 LEU B 65 20.745 -1.734 2.476 1.00 7.56 H new ATOM 0 HG LEU B 65 18.289 -3.340 2.739 1.00 8.77 H new ATOM 0 HD11 LEU B 65 17.487 -2.149 4.741 1.00 9.51 H new ATOM 0 HD12 LEU B 65 18.881 -3.194 5.108 1.00 9.51 H new ATOM 0 HD13 LEU B 65 19.103 -1.435 4.958 1.00 9.51 H new ATOM 0 HD21 LEU B 65 17.255 -1.115 2.514 1.00 7.93 H new ATOM 0 HD22 LEU B 65 18.862 -0.360 2.644 1.00 7.93 H new ATOM 0 HD23 LEU B 65 18.480 -1.404 1.255 1.00 7.93 H new ATOM 745 N VAL B 66 22.623 -2.933 0.701 1.00 6.33 N ATOM 746 CA VAL B 66 23.375 -2.371 -0.413 1.00 6.65 C ATOM 747 C VAL B 66 23.404 -3.335 -1.592 1.00 7.39 C ATOM 748 O VAL B 66 23.311 -2.923 -2.748 1.00 7.78 O ATOM 749 CB VAL B 66 24.822 -2.037 -0.004 1.00 7.79 C ATOM 750 CG1 VAL B 66 25.458 -1.094 -1.013 1.00 8.48 C ATOM 751 CG2 VAL B 66 24.858 -1.437 1.393 1.00 8.26 C ATOM 0 H VAL B 66 23.177 -3.107 1.540 1.00 6.33 H new ATOM 0 HA VAL B 66 22.868 -1.452 -0.707 1.00 6.65 H new ATOM 0 HB VAL B 66 25.399 -2.962 0.008 1.00 7.79 H new ATOM 0 HG11 VAL B 66 26.480 -0.869 -0.707 1.00 8.48 H new ATOM 0 HG12 VAL B 66 25.469 -1.566 -1.996 1.00 8.48 H new ATOM 0 HG13 VAL B 66 24.882 -0.170 -1.061 1.00 8.48 H new ATOM 0 HG21 VAL B 66 25.889 -1.208 1.664 1.00 8.26 H new ATOM 0 HG22 VAL B 66 24.266 -0.522 1.411 1.00 8.26 H new ATOM 0 HG23 VAL B 66 24.445 -2.151 2.106 1.00 8.26 H new ATOM 761 N LYS B 67 23.531 -4.622 -1.290 1.00 8.26 N ATOM 762 CA LYS B 67 23.572 -5.652 -2.322 1.00 9.33 C ATOM 763 C LYS B 67 22.348 -5.560 -3.225 1.00 8.66 C ATOM 764 O LYS B 67 22.466 -5.287 -4.420 1.00 9.20 O ATOM 765 CB LYS B 67 23.646 -7.040 -1.684 1.00 10.84 C ATOM 766 CG LYS B 67 24.417 -8.052 -2.515 1.00 13.60 C ATOM 767 CD LYS B 67 23.542 -9.230 -2.914 1.00 15.41 C ATOM 768 CE LYS B 67 24.348 -10.515 -3.004 1.00 17.23 C ATOM 769 NZ LYS B 67 23.742 -11.608 -2.193 1.00 16.74 N ATOM 0 H LYS B 67 23.608 -4.978 -0.337 1.00 8.26 H new ATOM 0 HA LYS B 67 24.464 -5.491 -2.928 1.00 9.33 H new ATOM 0 HB2 LYS B 67 24.115 -6.955 -0.704 1.00 10.84 H new ATOM 0 HB3 LYS B 67 22.634 -7.411 -1.523 1.00 10.84 H new ATOM 0 HG2 LYS B 67 24.807 -7.567 -3.410 1.00 13.60 H new ATOM 0 HG3 LYS B 67 25.276 -8.411 -1.948 1.00 13.60 H new ATOM 0 HD2 LYS B 67 22.740 -9.352 -2.186 1.00 15.41 H new ATOM 0 HD3 LYS B 67 23.071 -9.026 -3.876 1.00 15.41 H new ATOM 0 HE2 LYS B 67 24.415 -10.830 -4.045 1.00 17.23 H new ATOM 0 HE3 LYS B 67 25.366 -10.330 -2.661 1.00 17.23 H new ATOM 0 HZ1 LYS B 67 24.321 -12.467 -2.281 1.00 16.74 H new ATOM 0 HZ2 LYS B 67 23.701 -11.318 -1.195 1.00 16.74 H new ATOM 0 HZ3 LYS B 67 22.780 -11.802 -2.536 1.00 16.74 H new ATOM 783 N LYS B 68 21.172 -5.784 -2.647 1.00 8.27 N ATOM 784 CA LYS B 68 19.927 -5.720 -3.403 1.00 8.11 C ATOM 785 C LYS B 68 19.843 -4.417 -4.191 1.00 7.74 C ATOM 786 O LYS B 68 19.270 -4.373 -5.279 1.00 7.66 O ATOM 787 CB LYS B 68 18.727 -5.840 -2.462 1.00 7.22 C ATOM 788 CG LYS B 68 17.387 -5.672 -3.160 1.00 7.33 C ATOM 789 CD LYS B 68 16.240 -5.634 -2.163 1.00 8.58 C ATOM 790 CE LYS B 68 15.498 -6.960 -2.119 1.00 9.62 C ATOM 791 NZ LYS B 68 16.251 -7.993 -1.355 1.00 8.58 N ATOM 0 H LYS B 68 21.056 -6.011 -1.659 1.00 8.27 H new ATOM 0 HA LYS B 68 19.911 -6.553 -4.105 1.00 8.11 H new ATOM 0 HB2 LYS B 68 18.754 -6.815 -1.975 1.00 7.22 H new ATOM 0 HB3 LYS B 68 18.815 -5.089 -1.677 1.00 7.22 H new ATOM 0 HG2 LYS B 68 17.393 -4.752 -3.744 1.00 7.33 H new ATOM 0 HG3 LYS B 68 17.235 -6.493 -3.860 1.00 7.33 H new ATOM 0 HD2 LYS B 68 16.626 -5.398 -1.171 1.00 8.58 H new ATOM 0 HD3 LYS B 68 15.548 -4.837 -2.433 1.00 8.58 H new ATOM 0 HE2 LYS B 68 14.519 -6.813 -1.663 1.00 9.62 H new ATOM 0 HE3 LYS B 68 15.326 -7.314 -3.136 1.00 9.62 H new ATOM 0 HZ1 LYS B 68 15.662 -8.843 -1.247 1.00 8.58 H new ATOM 0 HZ2 LYS B 68 17.122 -8.238 -1.868 1.00 8.58 H new ATOM 0 HZ3 LYS B 68 16.496 -7.620 -0.416 1.00 8.58 H new ATOM 805 N MET B 69 20.424 -3.360 -3.633 1.00 7.73 N ATOM 806 CA MET B 69 20.423 -2.055 -4.282 1.00 7.87 C ATOM 807 C MET B 69 21.288 -2.078 -5.537 1.00 9.01 C ATOM 808 O MET B 69 20.835 -1.713 -6.623 1.00 10.98 O ATOM 809 CB MET B 69 20.935 -0.983 -3.317 1.00 6.68 C ATOM 810 CG MET B 69 20.869 0.427 -3.879 1.00 7.89 C ATOM 811 SD MET B 69 21.809 1.610 -2.896 1.00 6.72 S ATOM 812 CE MET B 69 23.389 0.774 -2.782 1.00 3.95 C ATOM 0 H MET B 69 20.902 -3.382 -2.732 1.00 7.73 H new ATOM 0 HA MET B 69 19.399 -1.817 -4.569 1.00 7.87 H new ATOM 0 HB2 MET B 69 20.351 -1.026 -2.398 1.00 6.68 H new ATOM 0 HB3 MET B 69 21.967 -1.210 -3.050 1.00 6.68 H new ATOM 0 HG2 MET B 69 21.250 0.425 -4.900 1.00 7.89 H new ATOM 0 HG3 MET B 69 19.828 0.746 -3.927 1.00 7.89 H new ATOM 0 HE1 MET B 69 24.149 1.478 -2.443 1.00 3.95 H new ATOM 0 HE2 MET B 69 23.314 -0.050 -2.072 1.00 3.95 H new ATOM 0 HE3 MET B 69 23.666 0.385 -3.762 1.00 3.95 H new ATOM 822 N VAL B 70 22.533 -2.517 -5.382 1.00 7.87 N ATOM 823 CA VAL B 70 23.461 -2.594 -6.503 1.00 8.77 C ATOM 824 C VAL B 70 23.052 -3.699 -7.471 1.00 10.94 C ATOM 825 O VAL B 70 23.376 -3.651 -8.657 1.00 11.70 O ATOM 826 CB VAL B 70 24.901 -2.851 -6.023 1.00 7.81 C ATOM 827 CG1 VAL B 70 25.859 -2.885 -7.204 1.00 6.47 C ATOM 828 CG2 VAL B 70 25.324 -1.793 -5.014 1.00 7.83 C ATOM 0 H VAL B 70 22.922 -2.825 -4.491 1.00 7.87 H new ATOM 0 HA VAL B 70 23.426 -1.632 -7.015 1.00 8.77 H new ATOM 0 HB VAL B 70 24.933 -3.823 -5.531 1.00 7.81 H new ATOM 0 HG11 VAL B 70 26.872 -3.068 -6.846 1.00 6.47 H new ATOM 0 HG12 VAL B 70 25.566 -3.682 -7.887 1.00 6.47 H new ATOM 0 HG13 VAL B 70 25.826 -1.929 -7.727 1.00 6.47 H new ATOM 0 HG21 VAL B 70 26.344 -1.991 -4.686 1.00 7.83 H new ATOM 0 HG22 VAL B 70 25.277 -0.808 -5.478 1.00 7.83 H new ATOM 0 HG23 VAL B 70 24.654 -1.822 -4.154 1.00 7.83 H new ATOM 838 N PHE B 71 22.332 -4.692 -6.956 1.00 12.44 N ATOM 839 CA PHE B 71 21.873 -5.807 -7.775 1.00 14.64 C ATOM 840 C PHE B 71 20.985 -5.311 -8.910 1.00 17.12 C ATOM 841 O PHE B 71 21.143 -5.718 -10.061 1.00 18.62 O ATOM 842 CB PHE B 71 21.110 -6.816 -6.915 1.00 15.13 C ATOM 843 CG PHE B 71 20.752 -8.079 -7.645 1.00 14.94 C ATOM 844 CD1 PHE B 71 21.735 -8.817 -8.319 1.00 15.11 C ATOM 845 CD2 PHE B 71 19.428 -8.539 -7.664 1.00 14.88 C ATOM 846 CE1 PHE B 71 21.403 -9.993 -8.998 1.00 15.20 C ATOM 847 CE2 PHE B 71 19.091 -9.714 -8.343 1.00 14.72 C ATOM 848 CZ PHE B 71 20.080 -10.442 -9.010 1.00 14.88 C ATOM 0 H PHE B 71 22.055 -4.746 -5.976 1.00 12.44 H new ATOM 0 HA PHE B 71 22.745 -6.297 -8.207 1.00 14.64 H new ATOM 0 HB2 PHE B 71 21.714 -7.069 -6.044 1.00 15.13 H new ATOM 0 HB3 PHE B 71 20.197 -6.349 -6.545 1.00 15.13 H new ATOM 0 HD1 PHE B 71 22.759 -8.474 -8.314 1.00 15.11 H new ATOM 0 HD2 PHE B 71 18.661 -7.980 -7.149 1.00 14.88 H new ATOM 0 HE1 PHE B 71 22.169 -10.554 -9.513 1.00 15.20 H new ATOM 0 HE2 PHE B 71 18.067 -10.059 -8.352 1.00 14.72 H new ATOM 0 HZ PHE B 71 19.822 -11.350 -9.534 1.00 14.88 H new ATOM 858 N ASP B 72 20.051 -4.424 -8.578 1.00 17.81 N ATOM 859 CA ASP B 72 19.141 -3.868 -9.572 1.00 20.16 C ATOM 860 C ASP B 72 19.902 -3.017 -10.582 1.00 19.67 C ATOM 861 O ASP B 72 19.701 -3.141 -11.790 1.00 19.36 O ATOM 862 CB ASP B 72 18.057 -3.029 -8.892 1.00 21.21 C ATOM 863 CG ASP B 72 16.668 -3.351 -9.407 1.00 23.06 C ATOM 864 OD1 ASP B 72 16.361 -2.981 -10.560 1.00 23.67 O ATOM 865 OD2 ASP B 72 15.888 -3.975 -8.657 1.00 24.11 O ATOM 0 H ASP B 72 19.905 -4.076 -7.630 1.00 17.81 H new ATOM 0 HA ASP B 72 18.668 -4.695 -10.101 1.00 20.16 H new ATOM 0 HB2 ASP B 72 18.091 -3.200 -7.816 1.00 21.21 H new ATOM 0 HB3 ASP B 72 18.265 -1.971 -9.054 1.00 21.21 H new ATOM 870 N THR B 73 20.781 -2.156 -10.079 1.00 19.69 N ATOM 871 CA THR B 73 21.577 -1.287 -10.936 1.00 19.29 C ATOM 872 C THR B 73 22.285 -2.095 -12.020 1.00 20.89 C ATOM 873 O THR B 73 22.063 -1.882 -13.212 1.00 22.07 O ATOM 874 CB THR B 73 22.606 -0.521 -10.103 1.00 17.04 C ATOM 875 OG1 THR B 73 21.965 0.287 -9.133 1.00 17.29 O ATOM 876 CG2 THR B 73 23.499 0.377 -10.933 1.00 17.06 C ATOM 0 H THR B 73 20.960 -2.042 -9.081 1.00 19.69 H new ATOM 0 HA THR B 73 20.905 -0.576 -11.417 1.00 19.29 H new ATOM 0 HB THR B 73 23.224 -1.286 -9.633 1.00 17.04 H new ATOM 0 HG1 THR B 73 22.467 0.249 -8.292 1.00 17.29 H new ATOM 0 HG21 THR B 73 24.205 0.891 -10.281 1.00 17.06 H new ATOM 0 HG22 THR B 73 24.046 -0.225 -11.659 1.00 17.06 H new ATOM 0 HG23 THR B 73 22.889 1.112 -11.458 1.00 17.06 H new ATOM 884 N LEU B 74 23.138 -3.022 -11.597 1.00 21.02 N ATOM 885 CA LEU B 74 23.880 -3.863 -12.529 1.00 22.71 C ATOM 886 C LEU B 74 22.948 -4.491 -13.559 1.00 25.10 C ATOM 887 O LEU B 74 23.225 -4.465 -14.759 1.00 26.90 O ATOM 888 CB LEU B 74 24.633 -4.958 -11.770 1.00 22.48 C ATOM 889 CG LEU B 74 25.799 -4.463 -10.913 1.00 21.55 C ATOM 890 CD1 LEU B 74 26.600 -5.638 -10.374 1.00 22.75 C ATOM 891 CD2 LEU B 74 26.692 -3.530 -11.717 1.00 20.87 C ATOM 0 H LEU B 74 23.333 -3.210 -10.614 1.00 21.02 H new ATOM 0 HA LEU B 74 24.598 -3.233 -13.054 1.00 22.71 H new ATOM 0 HB2 LEU B 74 23.928 -5.485 -11.128 1.00 22.48 H new ATOM 0 HB3 LEU B 74 25.013 -5.683 -12.490 1.00 22.48 H new ATOM 0 HG LEU B 74 25.394 -3.907 -10.067 1.00 21.55 H new ATOM 0 HD11 LEU B 74 27.426 -5.267 -9.767 1.00 22.75 H new ATOM 0 HD12 LEU B 74 25.954 -6.269 -9.763 1.00 22.75 H new ATOM 0 HD13 LEU B 74 26.995 -6.221 -11.206 1.00 22.75 H new ATOM 0 HD21 LEU B 74 27.517 -3.187 -11.092 1.00 20.87 H new ATOM 0 HD22 LEU B 74 27.089 -4.062 -12.582 1.00 20.87 H new ATOM 0 HD23 LEU B 74 26.111 -2.672 -12.054 1.00 20.87 H new ATOM 903 N LYS B 75 21.839 -5.054 -13.086 1.00 25.21 N ATOM 904 CA LYS B 75 20.866 -5.685 -13.970 1.00 27.46 C ATOM 905 C LYS B 75 20.500 -4.758 -15.123 1.00 28.18 C ATOM 906 O LYS B 75 20.380 -5.191 -16.269 1.00 29.90 O ATOM 907 CB LYS B 75 19.607 -6.070 -13.190 1.00 27.67 C ATOM 908 CG LYS B 75 19.221 -7.532 -13.341 1.00 26.95 C ATOM 909 CD LYS B 75 17.881 -7.826 -12.688 1.00 27.25 C ATOM 910 CE LYS B 75 17.749 -9.297 -12.325 1.00 28.78 C ATOM 911 NZ LYS B 75 16.562 -9.553 -11.464 1.00 29.27 N ATOM 0 H LYS B 75 21.593 -5.086 -12.097 1.00 25.21 H new ATOM 0 HA LYS B 75 21.318 -6.588 -14.381 1.00 27.46 H new ATOM 0 HB2 LYS B 75 19.763 -5.851 -12.134 1.00 27.67 H new ATOM 0 HB3 LYS B 75 18.777 -5.447 -13.525 1.00 27.67 H new ATOM 0 HG2 LYS B 75 19.175 -7.790 -14.399 1.00 26.95 H new ATOM 0 HG3 LYS B 75 19.991 -8.160 -12.893 1.00 26.95 H new ATOM 0 HD2 LYS B 75 17.771 -7.217 -11.790 1.00 27.25 H new ATOM 0 HD3 LYS B 75 17.075 -7.544 -13.365 1.00 27.25 H new ATOM 0 HE2 LYS B 75 17.671 -9.890 -13.236 1.00 28.78 H new ATOM 0 HE3 LYS B 75 18.650 -9.625 -11.807 1.00 28.78 H new ATOM 0 HZ1 LYS B 75 16.508 -10.567 -11.239 1.00 29.27 H new ATOM 0 HZ2 LYS B 75 16.648 -9.007 -10.583 1.00 29.27 H new ATOM 0 HZ3 LYS B 75 15.699 -9.264 -11.967 1.00 29.27 H new ATOM 925 N ASP B 76 20.329 -3.480 -14.809 1.00 27.03 N ATOM 926 CA ASP B 76 19.982 -2.484 -15.812 1.00 27.88 C ATOM 927 C ASP B 76 21.213 -2.066 -16.607 1.00 28.00 C ATOM 928 O ASP B 76 21.108 -1.644 -17.758 1.00 29.48 O ATOM 929 CB ASP B 76 19.349 -1.261 -15.148 1.00 26.63 C ATOM 930 CG ASP B 76 17.902 -1.497 -14.759 1.00 26.73 C ATOM 931 OD1 ASP B 76 17.665 -2.219 -13.767 1.00 26.23 O ATOM 932 OD2 ASP B 76 17.007 -0.963 -15.447 1.00 27.49 O ATOM 0 H ASP B 76 20.426 -3.109 -13.864 1.00 27.03 H new ATOM 0 HA ASP B 76 19.261 -2.929 -16.498 1.00 27.88 H new ATOM 0 HB2 ASP B 76 19.922 -0.996 -14.260 1.00 26.63 H new ATOM 0 HB3 ASP B 76 19.405 -0.412 -15.829 1.00 26.63 H new ATOM 937 N LEU B 77 22.380 -2.185 -15.982 1.00 26.48 N ATOM 938 CA LEU B 77 23.635 -1.818 -16.626 1.00 26.39 C ATOM 939 C LEU B 77 23.957 -2.765 -17.777 1.00 28.19 C ATOM 940 O LEU B 77 24.328 -2.329 -18.867 1.00 28.86 O ATOM 941 CB LEU B 77 24.774 -1.835 -15.604 1.00 25.11 C ATOM 942 CG LEU B 77 24.922 -0.557 -14.779 1.00 25.33 C ATOM 943 CD1 LEU B 77 25.982 -0.737 -13.704 1.00 23.57 C ATOM 944 CD2 LEU B 77 25.268 0.619 -15.680 1.00 27.04 C ATOM 0 H LEU B 77 22.482 -2.533 -15.029 1.00 26.48 H new ATOM 0 HA LEU B 77 23.528 -0.811 -17.030 1.00 26.39 H new ATOM 0 HB2 LEU B 77 24.619 -2.672 -14.924 1.00 25.11 H new ATOM 0 HB3 LEU B 77 25.711 -2.021 -16.130 1.00 25.11 H new ATOM 0 HG LEU B 77 23.970 -0.348 -14.290 1.00 25.33 H new ATOM 0 HD11 LEU B 77 26.074 0.183 -13.126 1.00 23.57 H new ATOM 0 HD12 LEU B 77 25.694 -1.554 -13.042 1.00 23.57 H new ATOM 0 HD13 LEU B 77 26.939 -0.969 -14.172 1.00 23.57 H new ATOM 0 HD21 LEU B 77 25.370 1.521 -15.077 1.00 27.04 H new ATOM 0 HD22 LEU B 77 26.207 0.419 -16.195 1.00 27.04 H new ATOM 0 HD23 LEU B 77 24.475 0.761 -16.414 1.00 27.04 H new ATOM 956 N TYR B 78 23.816 -4.062 -17.526 1.00 29.03 N ATOM 957 CA TYR B 78 24.096 -5.072 -18.542 1.00 30.79 C ATOM 958 C TYR B 78 23.029 -5.061 -19.634 1.00 33.29 C ATOM 959 O TYR B 78 23.330 -4.834 -20.806 1.00 34.80 O ATOM 960 CB TYR B 78 24.170 -6.459 -17.902 1.00 30.05 C ATOM 961 CG TYR B 78 25.582 -6.950 -17.677 1.00 29.47 C ATOM 962 CD1 TYR B 78 26.280 -6.626 -16.501 1.00 29.41 C ATOM 963 CD2 TYR B 78 26.230 -7.745 -18.637 1.00 29.04 C ATOM 964 CE1 TYR B 78 27.585 -7.079 -16.289 1.00 28.97 C ATOM 965 CE2 TYR B 78 27.536 -8.202 -18.433 1.00 28.66 C ATOM 966 CZ TYR B 78 28.208 -7.867 -17.258 1.00 28.63 C ATOM 967 OH TYR B 78 29.493 -8.315 -17.053 1.00 28.36 O ATOM 0 H TYR B 78 23.510 -4.439 -16.629 1.00 29.03 H new ATOM 0 HA TYR B 78 25.057 -4.835 -18.998 1.00 30.79 H new ATOM 0 HB2 TYR B 78 23.646 -6.437 -16.947 1.00 30.05 H new ATOM 0 HB3 TYR B 78 23.644 -7.171 -18.538 1.00 30.05 H new ATOM 0 HD1 TYR B 78 25.800 -6.017 -15.749 1.00 29.41 H new ATOM 0 HD2 TYR B 78 25.711 -8.008 -19.547 1.00 29.04 H new ATOM 0 HE1 TYR B 78 28.109 -6.821 -15.380 1.00 28.97 H new ATOM 0 HE2 TYR B 78 28.021 -8.811 -19.181 1.00 28.66 H new ATOM 0 HH TYR B 78 29.779 -8.851 -17.822 1.00 28.36 H new ATOM 977 N LYS B 79 21.784 -5.313 -19.242 1.00 33.85 N ATOM 978 CA LYS B 79 20.675 -5.339 -20.189 1.00 36.27 C ATOM 979 C LYS B 79 20.639 -4.066 -21.031 1.00 38.11 C ATOM 980 O LYS B 79 20.133 -4.068 -22.153 1.00 39.66 O ATOM 981 CB LYS B 79 19.347 -5.518 -19.446 1.00 36.67 C ATOM 982 CG LYS B 79 18.871 -4.264 -18.727 1.00 35.82 C ATOM 983 CD LYS B 79 17.757 -4.575 -17.740 1.00 37.38 C ATOM 984 CE LYS B 79 16.626 -5.347 -18.401 1.00 38.74 C ATOM 985 NZ LYS B 79 15.401 -5.371 -17.554 1.00 40.73 N ATOM 0 H LYS B 79 21.518 -5.502 -18.276 1.00 33.85 H new ATOM 0 HA LYS B 79 20.825 -6.185 -20.860 1.00 36.27 H new ATOM 0 HB2 LYS B 79 18.582 -5.830 -20.158 1.00 36.67 H new ATOM 0 HB3 LYS B 79 19.454 -6.324 -18.720 1.00 36.67 H new ATOM 0 HG2 LYS B 79 19.708 -3.806 -18.200 1.00 35.82 H new ATOM 0 HG3 LYS B 79 18.518 -3.536 -19.458 1.00 35.82 H new ATOM 0 HD2 LYS B 79 18.158 -5.155 -16.909 1.00 37.38 H new ATOM 0 HD3 LYS B 79 17.369 -3.646 -17.323 1.00 37.38 H new ATOM 0 HE2 LYS B 79 16.392 -4.895 -19.365 1.00 38.74 H new ATOM 0 HE3 LYS B 79 16.951 -6.369 -18.599 1.00 38.74 H new ATOM 0 HZ1 LYS B 79 14.654 -5.907 -18.040 1.00 40.73 H new ATOM 0 HZ2 LYS B 79 15.617 -5.826 -16.644 1.00 40.73 H new ATOM 0 HZ3 LYS B 79 15.076 -4.397 -17.386 1.00 40.73 H new ATOM 1103 N ALA C 55 25.828 13.495 18.670 1.00 31.33 N ATOM 1104 CA ALA C 55 25.646 12.148 18.150 1.00 29.41 C ATOM 1105 C ALA C 55 24.987 12.188 16.776 1.00 27.35 C ATOM 1106 O ALA C 55 25.371 11.447 15.871 1.00 26.43 O ATOM 1107 CB ALA C 55 24.817 11.315 19.115 1.00 28.29 C ATOM 0 HA ALA C 55 26.626 11.683 18.046 1.00 29.41 H new ATOM 0 HB1 ALA C 55 24.690 10.310 18.712 1.00 28.29 H new ATOM 0 HB2 ALA C 55 25.326 11.258 20.077 1.00 28.29 H new ATOM 0 HB3 ALA C 55 23.840 11.779 19.249 1.00 28.29 H new ATOM 1113 N GLU C 56 23.998 13.064 16.625 1.00 26.81 N ATOM 1114 CA GLU C 56 23.292 13.208 15.357 1.00 25.09 C ATOM 1115 C GLU C 56 24.249 13.669 14.267 1.00 26.08 C ATOM 1116 O GLU C 56 24.419 12.998 13.249 1.00 26.39 O ATOM 1117 CB GLU C 56 22.138 14.201 15.498 1.00 24.99 C ATOM 1118 CG GLU C 56 20.818 13.681 14.952 1.00 24.94 C ATOM 1119 CD GLU C 56 19.697 14.693 15.076 1.00 25.80 C ATOM 1120 OE1 GLU C 56 19.569 15.309 16.156 1.00 27.74 O ATOM 1121 OE2 GLU C 56 18.946 14.869 14.095 1.00 24.76 O ATOM 0 H GLU C 56 23.668 13.684 17.365 1.00 26.81 H new ATOM 0 HA GLU C 56 22.884 12.236 15.078 1.00 25.09 H new ATOM 0 HB2 GLU C 56 22.012 14.452 16.551 1.00 24.99 H new ATOM 0 HB3 GLU C 56 22.398 15.124 14.979 1.00 24.99 H new ATOM 0 HG2 GLU C 56 20.944 13.411 13.904 1.00 24.94 H new ATOM 0 HG3 GLU C 56 20.542 12.771 15.485 1.00 24.94 H new ATOM 1128 N ARG C 57 24.881 14.814 14.495 1.00 26.70 N ATOM 1129 CA ARG C 57 25.833 15.363 13.539 1.00 27.73 C ATOM 1130 C ARG C 57 26.996 14.399 13.343 1.00 28.19 C ATOM 1131 O ARG C 57 27.418 14.134 12.218 1.00 28.85 O ATOM 1132 CB ARG C 57 26.348 16.722 14.020 1.00 28.21 C ATOM 1133 CG ARG C 57 27.307 16.629 15.196 1.00 28.13 C ATOM 1134 CD ARG C 57 27.738 18.005 15.677 1.00 28.70 C ATOM 1135 NE ARG C 57 26.603 18.811 16.117 1.00 27.94 N ATOM 1136 CZ ARG C 57 26.725 20.016 16.667 1.00 27.56 C ATOM 1137 NH1 ARG C 57 27.927 20.546 16.844 1.00 27.86 N ATOM 1138 NH2 ARG C 57 25.645 20.689 17.042 1.00 26.90 N ATOM 0 H ARG C 57 24.751 15.380 15.334 1.00 26.70 H new ATOM 0 HA ARG C 57 25.327 15.501 12.584 1.00 27.73 H new ATOM 0 HB2 ARG C 57 26.849 17.225 13.193 1.00 28.21 H new ATOM 0 HB3 ARG C 57 25.498 17.343 14.303 1.00 28.21 H new ATOM 0 HG2 ARG C 57 26.829 16.090 16.014 1.00 28.13 H new ATOM 0 HG3 ARG C 57 28.185 16.053 14.905 1.00 28.13 H new ATOM 0 HD2 ARG C 57 28.446 17.896 16.499 1.00 28.70 H new ATOM 0 HD3 ARG C 57 28.260 18.523 14.873 1.00 28.70 H new ATOM 0 HE ARG C 57 25.665 18.429 15.996 1.00 27.94 H new ATOM 0 HH11 ARG C 57 28.759 20.030 16.558 1.00 27.86 H new ATOM 0 HH12 ARG C 57 28.020 21.470 17.266 1.00 27.86 H new ATOM 0 HH21 ARG C 57 24.719 20.283 16.909 1.00 26.90 H new ATOM 0 HH22 ARG C 57 25.741 21.613 17.464 1.00 26.90 H new ATOM 1152 N LEU C 58 27.500 13.873 14.453 1.00 27.86 N ATOM 1153 CA LEU C 58 28.607 12.926 14.420 1.00 28.26 C ATOM 1154 C LEU C 58 28.240 11.703 13.585 1.00 25.72 C ATOM 1155 O LEU C 58 29.026 11.241 12.757 1.00 24.55 O ATOM 1156 CB LEU C 58 28.977 12.501 15.845 1.00 29.51 C ATOM 1157 CG LEU C 58 29.988 11.358 15.950 1.00 29.23 C ATOM 1158 CD1 LEU C 58 29.309 10.017 15.717 1.00 26.77 C ATOM 1159 CD2 LEU C 58 31.128 11.559 14.964 1.00 30.27 C ATOM 0 H LEU C 58 27.158 14.087 15.390 1.00 27.86 H new ATOM 0 HA LEU C 58 29.467 13.413 13.960 1.00 28.26 H new ATOM 0 HB2 LEU C 58 29.378 13.367 16.371 1.00 29.51 H new ATOM 0 HB3 LEU C 58 28.066 12.206 16.366 1.00 29.51 H new ATOM 0 HG LEU C 58 30.402 11.361 16.958 1.00 29.23 H new ATOM 0 HD11 LEU C 58 30.046 9.218 15.796 1.00 26.77 H new ATOM 0 HD12 LEU C 58 28.531 9.868 16.465 1.00 26.77 H new ATOM 0 HD13 LEU C 58 28.863 10.003 14.722 1.00 26.77 H new ATOM 0 HD21 LEU C 58 31.837 10.736 15.054 1.00 30.27 H new ATOM 0 HD22 LEU C 58 30.731 11.586 13.949 1.00 30.27 H new ATOM 0 HD23 LEU C 58 31.635 12.499 15.181 1.00 30.27 H new ATOM 1171 N ALA C 59 27.033 11.188 13.807 1.00 25.00 N ATOM 1172 CA ALA C 59 26.552 10.024 13.074 1.00 22.62 C ATOM 1173 C ALA C 59 26.612 10.266 11.570 1.00 21.60 C ATOM 1174 O ALA C 59 26.925 9.363 10.797 1.00 21.41 O ATOM 1175 CB ALA C 59 25.133 9.680 13.501 1.00 20.72 C ATOM 0 H ALA C 59 26.372 11.560 14.489 1.00 25.00 H new ATOM 0 HA ALA C 59 27.202 9.181 13.308 1.00 22.62 H new ATOM 0 HB1 ALA C 59 24.787 8.809 12.945 1.00 20.72 H new ATOM 0 HB2 ALA C 59 25.118 9.459 14.568 1.00 20.72 H new ATOM 0 HB3 ALA C 59 24.476 10.525 13.296 1.00 20.72 H new ATOM 1181 N ASP C 60 26.312 11.496 11.163 1.00 21.38 N ATOM 1182 CA ASP C 60 26.336 11.860 9.752 1.00 20.92 C ATOM 1183 C ASP C 60 27.740 11.702 9.179 1.00 20.31 C ATOM 1184 O ASP C 60 27.912 11.268 8.040 1.00 19.88 O ATOM 1185 CB ASP C 60 25.855 13.300 9.564 1.00 22.61 C ATOM 1186 CG ASP C 60 25.170 13.510 8.228 1.00 23.40 C ATOM 1187 OD1 ASP C 60 24.144 12.843 7.977 1.00 22.97 O ATOM 1188 OD2 ASP C 60 25.660 14.338 7.433 1.00 24.52 O ATOM 0 H ASP C 60 26.050 12.256 11.791 1.00 21.38 H new ATOM 0 HA ASP C 60 25.663 11.190 9.217 1.00 20.92 H new ATOM 0 HB2 ASP C 60 25.165 13.558 10.368 1.00 22.61 H new ATOM 0 HB3 ASP C 60 26.705 13.978 9.644 1.00 22.61 H new ATOM 1193 N GLU C 61 28.741 12.054 9.980 1.00 20.52 N ATOM 1194 CA GLU C 61 30.131 11.947 9.556 1.00 20.01 C ATOM 1195 C GLU C 61 30.450 10.528 9.108 1.00 18.55 C ATOM 1196 O GLU C 61 30.762 10.288 7.941 1.00 17.82 O ATOM 1197 CB GLU C 61 31.069 12.359 10.692 1.00 20.85 C ATOM 1198 CG GLU C 61 32.541 12.297 10.319 1.00 22.58 C ATOM 1199 CD GLU C 61 33.451 12.299 11.531 1.00 23.86 C ATOM 1200 OE1 GLU C 61 32.932 12.385 12.664 1.00 23.52 O ATOM 1201 OE2 GLU C 61 34.684 12.217 11.348 1.00 25.25 O ATOM 0 H GLU C 61 28.615 12.415 10.925 1.00 20.52 H new ATOM 0 HA GLU C 61 30.281 12.620 8.712 1.00 20.01 H new ATOM 0 HB2 GLU C 61 30.824 13.374 11.004 1.00 20.85 H new ATOM 0 HB3 GLU C 61 30.893 11.711 11.550 1.00 20.85 H new ATOM 0 HG2 GLU C 61 32.726 11.397 9.732 1.00 22.58 H new ATOM 0 HG3 GLU C 61 32.787 13.148 9.683 1.00 22.58 H new ATOM 1208 N GLN C 62 30.365 9.590 10.043 1.00 18.58 N ATOM 1209 CA GLN C 62 30.640 8.190 9.746 1.00 17.76 C ATOM 1210 C GLN C 62 29.851 7.729 8.525 1.00 17.11 C ATOM 1211 O GLN C 62 30.355 6.969 7.698 1.00 17.57 O ATOM 1212 CB GLN C 62 30.298 7.314 10.953 1.00 16.27 C ATOM 1213 CG GLN C 62 31.464 7.102 11.906 1.00 17.13 C ATOM 1214 CD GLN C 62 31.942 8.389 12.551 1.00 16.56 C ATOM 1215 OE1 GLN C 62 32.064 9.421 11.892 1.00 15.89 O ATOM 1216 NE2 GLN C 62 32.220 8.333 13.848 1.00 16.92 N ATOM 0 H GLN C 62 30.108 9.773 11.013 1.00 18.58 H new ATOM 0 HA GLN C 62 31.703 8.092 9.526 1.00 17.76 H new ATOM 0 HB2 GLN C 62 29.472 7.770 11.499 1.00 16.27 H new ATOM 0 HB3 GLN C 62 29.949 6.344 10.599 1.00 16.27 H new ATOM 0 HG2 GLN C 62 31.167 6.400 12.685 1.00 17.13 H new ATOM 0 HG3 GLN C 62 32.291 6.645 11.363 1.00 17.13 H new ATOM 0 HE21 GLN C 62 32.105 7.457 14.357 1.00 16.92 H new ATOM 0 HE22 GLN C 62 32.549 9.166 14.336 1.00 16.92 H new ATOM 1225 N SER C 63 28.613 8.199 8.417 1.00 16.32 N ATOM 1226 CA SER C 63 27.758 7.839 7.294 1.00 15.73 C ATOM 1227 C SER C 63 28.396 8.264 5.976 1.00 14.82 C ATOM 1228 O SER C 63 28.200 7.622 4.944 1.00 13.69 O ATOM 1229 CB SER C 63 26.381 8.490 7.442 1.00 16.08 C ATOM 1230 OG SER C 63 25.887 8.343 8.762 1.00 16.03 O ATOM 0 H SER C 63 28.181 8.829 9.093 1.00 16.32 H new ATOM 0 HA SER C 63 27.638 6.756 7.290 1.00 15.73 H new ATOM 0 HB2 SER C 63 26.447 9.549 7.191 1.00 16.08 H new ATOM 0 HB3 SER C 63 25.684 8.038 6.737 1.00 16.08 H new ATOM 0 HG SER C 63 26.180 9.103 9.307 1.00 16.03 H new ATOM 1236 N GLU C 64 29.163 9.349 6.021 1.00 15.39 N ATOM 1237 CA GLU C 64 29.836 9.859 4.833 1.00 14.66 C ATOM 1238 C GLU C 64 31.004 8.960 4.445 1.00 13.85 C ATOM 1239 O GLU C 64 31.250 8.719 3.263 1.00 12.49 O ATOM 1240 CB GLU C 64 30.334 11.286 5.076 1.00 15.27 C ATOM 1241 CG GLU C 64 29.993 12.248 3.950 1.00 14.88 C ATOM 1242 CD GLU C 64 31.216 12.688 3.168 1.00 16.96 C ATOM 1243 OE1 GLU C 64 31.863 11.822 2.543 1.00 17.02 O ATOM 1244 OE2 GLU C 64 31.527 13.898 3.184 1.00 18.75 O ATOM 0 H GLU C 64 29.333 9.891 6.868 1.00 15.39 H new ATOM 0 HA GLU C 64 29.118 9.868 4.013 1.00 14.66 H new ATOM 0 HB2 GLU C 64 29.903 11.659 6.005 1.00 15.27 H new ATOM 0 HB3 GLU C 64 31.415 11.267 5.211 1.00 15.27 H new ATOM 0 HG2 GLU C 64 29.285 11.772 3.272 1.00 14.88 H new ATOM 0 HG3 GLU C 64 29.496 13.125 4.365 1.00 14.88 H new ATOM 1251 N LEU C 65 31.720 8.463 5.449 1.00 14.90 N ATOM 1252 CA LEU C 65 32.861 7.587 5.212 1.00 14.28 C ATOM 1253 C LEU C 65 32.444 6.366 4.401 1.00 12.38 C ATOM 1254 O LEU C 65 33.157 5.935 3.496 1.00 13.25 O ATOM 1255 CB LEU C 65 33.480 7.146 6.541 1.00 14.56 C ATOM 1256 CG LEU C 65 33.723 8.272 7.547 1.00 16.50 C ATOM 1257 CD1 LEU C 65 34.424 7.737 8.787 1.00 17.36 C ATOM 1258 CD2 LEU C 65 34.538 9.388 6.911 1.00 18.58 C ATOM 0 H LEU C 65 31.530 8.652 6.433 1.00 14.90 H new ATOM 0 HA LEU C 65 33.605 8.144 4.643 1.00 14.28 H new ATOM 0 HB2 LEU C 65 32.827 6.404 7.000 1.00 14.56 H new ATOM 0 HB3 LEU C 65 34.429 6.652 6.336 1.00 14.56 H new ATOM 0 HG LEU C 65 32.758 8.680 7.848 1.00 16.50 H new ATOM 0 HD11 LEU C 65 34.589 8.552 9.492 1.00 17.36 H new ATOM 0 HD12 LEU C 65 33.803 6.973 9.255 1.00 17.36 H new ATOM 0 HD13 LEU C 65 35.383 7.303 8.504 1.00 17.36 H new ATOM 0 HD21 LEU C 65 34.701 10.181 7.641 1.00 18.58 H new ATOM 0 HD22 LEU C 65 35.500 8.994 6.582 1.00 18.58 H new ATOM 0 HD23 LEU C 65 33.998 9.790 6.054 1.00 18.58 H new ATOM 1270 N VAL C 66 31.280 5.814 4.731 1.00 10.19 N ATOM 1271 CA VAL C 66 30.765 4.646 4.031 1.00 8.59 C ATOM 1272 C VAL C 66 30.388 4.993 2.596 1.00 7.84 C ATOM 1273 O VAL C 66 30.782 4.302 1.655 1.00 9.17 O ATOM 1274 CB VAL C 66 29.533 4.059 4.745 1.00 8.67 C ATOM 1275 CG1 VAL C 66 29.032 2.821 4.017 1.00 8.08 C ATOM 1276 CG2 VAL C 66 29.857 3.739 6.196 1.00 9.90 C ATOM 0 H VAL C 66 30.677 6.158 5.479 1.00 10.19 H new ATOM 0 HA VAL C 66 31.561 3.901 4.028 1.00 8.59 H new ATOM 0 HB VAL C 66 28.739 4.806 4.731 1.00 8.67 H new ATOM 0 HG11 VAL C 66 28.161 2.421 4.537 1.00 8.08 H new ATOM 0 HG12 VAL C 66 28.756 3.086 2.996 1.00 8.08 H new ATOM 0 HG13 VAL C 66 29.820 2.068 3.996 1.00 8.08 H new ATOM 0 HG21 VAL C 66 28.974 3.325 6.683 1.00 9.90 H new ATOM 0 HG22 VAL C 66 30.668 3.012 6.236 1.00 9.90 H new ATOM 0 HG23 VAL C 66 30.162 4.650 6.710 1.00 9.90 H new ATOM 1286 N LYS C 67 29.626 6.070 2.433 1.00 6.51 N ATOM 1287 CA LYS C 67 29.202 6.511 1.110 1.00 7.27 C ATOM 1288 C LYS C 67 30.406 6.714 0.199 1.00 9.38 C ATOM 1289 O LYS C 67 30.450 6.190 -0.915 1.00 10.67 O ATOM 1290 CB LYS C 67 28.400 7.810 1.212 1.00 8.62 C ATOM 1291 CG LYS C 67 28.002 8.385 -0.136 1.00 9.03 C ATOM 1292 CD LYS C 67 27.291 9.720 0.014 1.00 10.48 C ATOM 1293 CE LYS C 67 27.695 10.694 -1.080 1.00 13.00 C ATOM 1294 NZ LYS C 67 28.392 11.889 -0.530 1.00 14.83 N ATOM 0 H LYS C 67 29.290 6.652 3.200 1.00 6.51 H new ATOM 0 HA LYS C 67 28.567 5.736 0.681 1.00 7.27 H new ATOM 0 HB2 LYS C 67 27.500 7.627 1.800 1.00 8.62 H new ATOM 0 HB3 LYS C 67 28.989 8.550 1.754 1.00 8.62 H new ATOM 0 HG2 LYS C 67 28.890 8.513 -0.755 1.00 9.03 H new ATOM 0 HG3 LYS C 67 27.351 7.681 -0.655 1.00 9.03 H new ATOM 0 HD2 LYS C 67 26.213 9.564 -0.017 1.00 10.48 H new ATOM 0 HD3 LYS C 67 27.523 10.149 0.989 1.00 10.48 H new ATOM 0 HE2 LYS C 67 28.347 10.189 -1.793 1.00 13.00 H new ATOM 0 HE3 LYS C 67 26.808 11.011 -1.629 1.00 13.00 H new ATOM 0 HZ1 LYS C 67 28.651 12.529 -1.308 1.00 14.83 H new ATOM 0 HZ2 LYS C 67 27.761 12.385 0.131 1.00 14.83 H new ATOM 0 HZ3 LYS C 67 29.252 11.589 -0.028 1.00 14.83 H new ATOM 1308 N LYS C 68 31.384 7.475 0.680 1.00 9.99 N ATOM 1309 CA LYS C 68 32.591 7.740 -0.092 1.00 12.02 C ATOM 1310 C LYS C 68 33.240 6.437 -0.539 1.00 10.90 C ATOM 1311 O LYS C 68 33.733 6.329 -1.662 1.00 11.70 O ATOM 1312 CB LYS C 68 33.582 8.562 0.735 1.00 14.47 C ATOM 1313 CG LYS C 68 34.522 9.409 -0.107 1.00 16.82 C ATOM 1314 CD LYS C 68 34.039 10.847 -0.205 1.00 18.09 C ATOM 1315 CE LYS C 68 34.715 11.735 0.826 1.00 19.81 C ATOM 1316 NZ LYS C 68 34.490 13.181 0.548 1.00 22.23 N ATOM 0 H LYS C 68 31.364 7.918 1.599 1.00 9.99 H new ATOM 0 HA LYS C 68 32.311 8.311 -0.978 1.00 12.02 H new ATOM 0 HB2 LYS C 68 33.027 9.213 1.410 1.00 14.47 H new ATOM 0 HB3 LYS C 68 34.172 7.887 1.356 1.00 14.47 H new ATOM 0 HG2 LYS C 68 35.521 9.388 0.329 1.00 16.82 H new ATOM 0 HG3 LYS C 68 34.602 8.982 -1.107 1.00 16.82 H new ATOM 0 HD2 LYS C 68 34.240 11.232 -1.205 1.00 18.09 H new ATOM 0 HD3 LYS C 68 32.959 10.879 -0.062 1.00 18.09 H new ATOM 0 HE2 LYS C 68 34.335 11.493 1.818 1.00 19.81 H new ATOM 0 HE3 LYS C 68 35.785 11.530 0.836 1.00 19.81 H new ATOM 0 HZ1 LYS C 68 34.967 13.752 1.274 1.00 22.23 H new ATOM 0 HZ2 LYS C 68 34.875 13.419 -0.388 1.00 22.23 H new ATOM 0 HZ3 LYS C 68 33.470 13.383 0.564 1.00 22.23 H new ATOM 1330 N MET C 69 33.232 5.445 0.347 1.00 9.18 N ATOM 1331 CA MET C 69 33.814 4.145 0.042 1.00 8.24 C ATOM 1332 C MET C 69 33.036 3.456 -1.073 1.00 6.17 C ATOM 1333 O MET C 69 33.621 2.837 -1.963 1.00 5.44 O ATOM 1334 CB MET C 69 33.830 3.264 1.293 1.00 7.90 C ATOM 1335 CG MET C 69 34.467 1.902 1.070 1.00 6.72 C ATOM 1336 SD MET C 69 34.635 0.956 2.596 1.00 8.56 S ATOM 1337 CE MET C 69 32.923 0.833 3.110 1.00 9.37 C ATOM 0 H MET C 69 32.829 5.518 1.281 1.00 9.18 H new ATOM 0 HA MET C 69 34.839 4.299 -0.295 1.00 8.24 H new ATOM 0 HB2 MET C 69 34.369 3.783 2.086 1.00 7.90 H new ATOM 0 HB3 MET C 69 32.807 3.125 1.642 1.00 7.90 H new ATOM 0 HG2 MET C 69 33.865 1.335 0.360 1.00 6.72 H new ATOM 0 HG3 MET C 69 35.450 2.035 0.619 1.00 6.72 H new ATOM 0 HE1 MET C 69 32.733 -0.164 3.508 1.00 9.37 H new ATOM 0 HE2 MET C 69 32.720 1.576 3.881 1.00 9.37 H new ATOM 0 HE3 MET C 69 32.272 1.012 2.254 1.00 9.37 H new ATOM 1347 N VAL C 70 31.712 3.570 -1.018 1.00 6.21 N ATOM 1348 CA VAL C 70 30.850 2.964 -2.022 1.00 5.48 C ATOM 1349 C VAL C 70 30.964 3.702 -3.351 1.00 6.97 C ATOM 1350 O VAL C 70 31.005 3.081 -4.414 1.00 7.40 O ATOM 1351 CB VAL C 70 29.376 2.950 -1.558 1.00 5.21 C ATOM 1352 CG1 VAL C 70 28.448 2.474 -2.670 1.00 4.37 C ATOM 1353 CG2 VAL C 70 29.223 2.074 -0.327 1.00 4.30 C ATOM 0 H VAL C 70 31.214 4.078 -0.287 1.00 6.21 H new ATOM 0 HA VAL C 70 31.181 1.935 -2.159 1.00 5.48 H new ATOM 0 HB VAL C 70 29.092 3.971 -1.304 1.00 5.21 H new ATOM 0 HG11 VAL C 70 27.419 2.476 -2.311 1.00 4.37 H new ATOM 0 HG12 VAL C 70 28.534 3.142 -3.527 1.00 4.37 H new ATOM 0 HG13 VAL C 70 28.726 1.463 -2.968 1.00 4.37 H new ATOM 0 HG21 VAL C 70 28.180 2.072 -0.009 1.00 4.30 H new ATOM 0 HG22 VAL C 70 29.532 1.056 -0.564 1.00 4.30 H new ATOM 0 HG23 VAL C 70 29.847 2.464 0.477 1.00 4.30 H new ATOM 1363 N PHE C 71 31.015 5.029 -3.288 1.00 8.63 N ATOM 1364 CA PHE C 71 31.126 5.837 -4.493 1.00 10.66 C ATOM 1365 C PHE C 71 32.296 5.363 -5.350 1.00 10.04 C ATOM 1366 O PHE C 71 32.110 4.951 -6.492 1.00 10.73 O ATOM 1367 CB PHE C 71 31.304 7.316 -4.142 1.00 13.22 C ATOM 1368 CG PHE C 71 31.575 8.179 -5.342 1.00 15.13 C ATOM 1369 CD1 PHE C 71 30.763 8.085 -6.481 1.00 16.65 C ATOM 1370 CD2 PHE C 71 32.648 9.080 -5.348 1.00 15.83 C ATOM 1371 CE1 PHE C 71 31.016 8.875 -7.605 1.00 18.61 C ATOM 1372 CE2 PHE C 71 32.906 9.874 -6.469 1.00 17.88 C ATOM 1373 CZ PHE C 71 32.089 9.770 -7.599 1.00 19.17 C ATOM 0 H PHE C 71 30.981 5.563 -2.420 1.00 8.63 H new ATOM 0 HA PHE C 71 30.203 5.722 -5.060 1.00 10.66 H new ATOM 0 HB2 PHE C 71 30.406 7.675 -3.640 1.00 13.22 H new ATOM 0 HB3 PHE C 71 32.127 7.419 -3.435 1.00 13.22 H new ATOM 0 HD1 PHE C 71 29.933 7.394 -6.490 1.00 16.65 H new ATOM 0 HD2 PHE C 71 33.282 9.162 -4.478 1.00 15.83 H new ATOM 0 HE1 PHE C 71 30.384 8.794 -8.477 1.00 18.61 H new ATOM 0 HE2 PHE C 71 33.735 10.566 -6.462 1.00 17.88 H new ATOM 0 HZ PHE C 71 32.287 10.381 -8.467 1.00 19.17 H new ATOM 1383 N ASP C 72 33.498 5.421 -4.788 1.00 9.28 N ATOM 1384 CA ASP C 72 34.695 4.993 -5.504 1.00 8.63 C ATOM 1385 C ASP C 72 34.513 3.587 -6.066 1.00 6.73 C ATOM 1386 O ASP C 72 34.832 3.327 -7.226 1.00 6.46 O ATOM 1387 CB ASP C 72 35.913 5.034 -4.579 1.00 8.25 C ATOM 1388 CG ASP C 72 36.324 6.449 -4.227 1.00 10.90 C ATOM 1389 OD1 ASP C 72 37.080 7.061 -5.011 1.00 12.08 O ATOM 1390 OD2 ASP C 72 35.891 6.946 -3.165 1.00 11.86 O ATOM 0 H ASP C 72 33.670 5.759 -3.841 1.00 9.28 H new ATOM 0 HA ASP C 72 34.859 5.680 -6.334 1.00 8.63 H new ATOM 0 HB2 ASP C 72 35.690 4.485 -3.664 1.00 8.25 H new ATOM 0 HB3 ASP C 72 36.748 4.525 -5.060 1.00 8.25 H new ATOM 1395 N THR C 73 33.994 2.684 -5.238 1.00 6.33 N ATOM 1396 CA THR C 73 33.767 1.309 -5.661 1.00 6.16 C ATOM 1397 C THR C 73 32.731 1.262 -6.780 1.00 9.04 C ATOM 1398 O THR C 73 33.056 0.960 -7.928 1.00 9.90 O ATOM 1399 CB THR C 73 33.307 0.453 -4.474 1.00 5.32 C ATOM 1400 OG1 THR C 73 34.372 0.248 -3.562 1.00 5.16 O ATOM 1401 CG2 THR C 73 32.777 -0.912 -4.873 1.00 6.89 C ATOM 0 H THR C 73 33.724 2.881 -4.274 1.00 6.33 H new ATOM 0 HA THR C 73 34.706 0.904 -6.038 1.00 6.16 H new ATOM 0 HB THR C 73 32.493 1.017 -4.018 1.00 5.32 H new ATOM 0 HG1 THR C 73 34.666 -0.686 -3.607 1.00 5.16 H new ATOM 0 HG21 THR C 73 32.471 -1.459 -3.981 1.00 6.89 H new ATOM 0 HG22 THR C 73 31.920 -0.790 -5.535 1.00 6.89 H new ATOM 0 HG23 THR C 73 33.559 -1.469 -5.390 1.00 6.89 H new ATOM 1409 N LEU C 74 31.484 1.564 -6.436 1.00 10.64 N ATOM 1410 CA LEU C 74 30.401 1.556 -7.413 1.00 13.42 C ATOM 1411 C LEU C 74 30.776 2.364 -8.649 1.00 15.17 C ATOM 1412 O LEU C 74 30.418 2.005 -9.771 1.00 17.38 O ATOM 1413 CB LEU C 74 29.121 2.108 -6.791 1.00 13.93 C ATOM 1414 CG LEU C 74 28.481 1.214 -5.728 1.00 14.40 C ATOM 1415 CD1 LEU C 74 27.052 1.653 -5.463 1.00 16.72 C ATOM 1416 CD2 LEU C 74 28.522 -0.248 -6.157 1.00 14.55 C ATOM 0 H LEU C 74 31.198 1.817 -5.490 1.00 10.64 H new ATOM 0 HA LEU C 74 30.228 0.524 -7.719 1.00 13.42 H new ATOM 0 HB2 LEU C 74 29.341 3.078 -6.344 1.00 13.93 H new ATOM 0 HB3 LEU C 74 28.394 2.280 -7.585 1.00 13.93 H new ATOM 0 HG LEU C 74 29.052 1.312 -4.805 1.00 14.40 H new ATOM 0 HD11 LEU C 74 26.608 1.008 -4.704 1.00 16.72 H new ATOM 0 HD12 LEU C 74 27.048 2.684 -5.110 1.00 16.72 H new ATOM 0 HD13 LEU C 74 26.473 1.582 -6.384 1.00 16.72 H new ATOM 0 HD21 LEU C 74 28.062 -0.866 -5.386 1.00 14.55 H new ATOM 0 HD22 LEU C 74 27.976 -0.368 -7.093 1.00 14.55 H new ATOM 0 HD23 LEU C 74 29.558 -0.557 -6.299 1.00 14.55 H new ATOM 1428 N LYS C 75 31.505 3.451 -8.437 1.00 14.59 N ATOM 1429 CA LYS C 75 31.938 4.303 -9.537 1.00 16.70 C ATOM 1430 C LYS C 75 32.703 3.481 -10.564 1.00 17.22 C ATOM 1431 O LYS C 75 32.240 3.279 -11.686 1.00 19.44 O ATOM 1432 CB LYS C 75 32.822 5.437 -9.015 1.00 16.47 C ATOM 1433 CG LYS C 75 33.415 6.302 -10.113 1.00 16.79 C ATOM 1434 CD LYS C 75 33.459 7.766 -9.706 1.00 17.39 C ATOM 1435 CE LYS C 75 34.856 8.344 -9.865 1.00 18.82 C ATOM 1436 NZ LYS C 75 35.373 8.176 -11.251 1.00 20.00 N ATOM 0 H LYS C 75 31.809 3.764 -7.515 1.00 14.59 H new ATOM 0 HA LYS C 75 31.056 4.735 -10.011 1.00 16.70 H new ATOM 0 HB2 LYS C 75 32.234 6.066 -8.346 1.00 16.47 H new ATOM 0 HB3 LYS C 75 33.632 5.011 -8.422 1.00 16.47 H new ATOM 0 HG2 LYS C 75 34.423 5.957 -10.345 1.00 16.79 H new ATOM 0 HG3 LYS C 75 32.824 6.194 -11.022 1.00 16.79 H new ATOM 0 HD2 LYS C 75 32.756 8.336 -10.314 1.00 17.39 H new ATOM 0 HD3 LYS C 75 33.138 7.867 -8.669 1.00 17.39 H new ATOM 0 HE2 LYS C 75 34.842 9.403 -9.609 1.00 18.82 H new ATOM 0 HE3 LYS C 75 35.533 7.856 -9.164 1.00 18.82 H new ATOM 0 HZ1 LYS C 75 36.049 8.937 -11.464 1.00 20.00 H new ATOM 0 HZ2 LYS C 75 35.851 7.256 -11.334 1.00 20.00 H new ATOM 0 HZ3 LYS C 75 34.581 8.217 -11.924 1.00 20.00 H new ATOM 1450 N ASP C 76 33.873 3.006 -10.162 1.00 15.15 N ATOM 1451 CA ASP C 76 34.713 2.194 -11.035 1.00 15.42 C ATOM 1452 C ASP C 76 34.006 0.896 -11.413 1.00 15.76 C ATOM 1453 O ASP C 76 34.199 0.370 -12.508 1.00 17.05 O ATOM 1454 CB ASP C 76 36.045 1.884 -10.351 1.00 13.21 C ATOM 1455 CG ASP C 76 37.237 2.336 -11.171 1.00 12.30 C ATOM 1456 OD1 ASP C 76 37.222 3.488 -11.654 1.00 12.62 O ATOM 1457 OD2 ASP C 76 38.185 1.540 -11.330 1.00 11.32 O ATOM 0 H ASP C 76 34.264 3.169 -9.234 1.00 15.15 H new ATOM 0 HA ASP C 76 34.905 2.761 -11.946 1.00 15.42 H new ATOM 0 HB2 ASP C 76 36.072 2.372 -9.377 1.00 13.21 H new ATOM 0 HB3 ASP C 76 36.117 0.811 -10.172 1.00 13.21 H new ATOM 1462 N LEU C 77 33.184 0.385 -10.500 1.00 14.93 N ATOM 1463 CA LEU C 77 32.448 -0.849 -10.743 1.00 15.85 C ATOM 1464 C LEU C 77 31.439 -0.660 -11.871 1.00 18.69 C ATOM 1465 O LEU C 77 31.559 -1.270 -12.934 1.00 19.52 O ATOM 1466 CB LEU C 77 31.743 -1.302 -9.457 1.00 15.84 C ATOM 1467 CG LEU C 77 30.603 -2.311 -9.640 1.00 17.97 C ATOM 1468 CD1 LEU C 77 30.962 -3.349 -10.694 1.00 18.32 C ATOM 1469 CD2 LEU C 77 30.274 -2.987 -8.317 1.00 19.04 C ATOM 0 H LEU C 77 33.012 0.807 -9.587 1.00 14.93 H new ATOM 0 HA LEU C 77 33.153 -1.623 -11.046 1.00 15.85 H new ATOM 0 HB2 LEU C 77 32.487 -1.740 -8.792 1.00 15.84 H new ATOM 0 HB3 LEU C 77 31.345 -0.421 -8.953 1.00 15.84 H new ATOM 0 HG LEU C 77 29.721 -1.770 -9.983 1.00 17.97 H new ATOM 0 HD11 LEU C 77 30.138 -4.054 -10.806 1.00 18.32 H new ATOM 0 HD12 LEU C 77 31.146 -2.852 -11.646 1.00 18.32 H new ATOM 0 HD13 LEU C 77 31.859 -3.886 -10.385 1.00 18.32 H new ATOM 0 HD21 LEU C 77 29.463 -3.700 -8.465 1.00 19.04 H new ATOM 0 HD22 LEU C 77 31.155 -3.511 -7.947 1.00 19.04 H new ATOM 0 HD23 LEU C 77 29.968 -2.235 -7.590 1.00 19.04 H new ATOM 1481 N TYR C 78 30.448 0.193 -11.636 1.00 20.21 N ATOM 1482 CA TYR C 78 29.423 0.464 -12.636 1.00 23.00 C ATOM 1483 C TYR C 78 30.055 0.931 -13.943 1.00 24.27 C ATOM 1484 O TYR C 78 29.470 0.778 -15.016 1.00 26.25 O ATOM 1485 CB TYR C 78 28.440 1.519 -12.122 1.00 23.67 C ATOM 1486 CG TYR C 78 27.642 1.076 -10.914 1.00 24.33 C ATOM 1487 CD1 TYR C 78 27.428 -0.289 -10.644 1.00 25.15 C ATOM 1488 CD2 TYR C 78 27.089 2.021 -10.032 1.00 24.33 C ATOM 1489 CE1 TYR C 78 26.690 -0.697 -9.531 1.00 25.74 C ATOM 1490 CE2 TYR C 78 26.349 1.620 -8.915 1.00 25.02 C ATOM 1491 CZ TYR C 78 26.153 0.261 -8.670 1.00 25.61 C ATOM 1492 OH TYR C 78 25.423 -0.138 -7.575 1.00 26.29 O ATOM 0 H TYR C 78 30.333 0.708 -10.763 1.00 20.21 H new ATOM 0 HA TYR C 78 28.879 -0.462 -12.825 1.00 23.00 H new ATOM 0 HB2 TYR C 78 28.993 2.424 -11.868 1.00 23.67 H new ATOM 0 HB3 TYR C 78 27.751 1.781 -12.925 1.00 23.67 H new ATOM 0 HD1 TYR C 78 27.842 -1.033 -11.309 1.00 25.15 H new ATOM 0 HD2 TYR C 78 27.238 3.074 -10.220 1.00 24.33 H new ATOM 0 HE1 TYR C 78 26.536 -1.748 -9.338 1.00 25.74 H new ATOM 0 HE2 TYR C 78 25.932 2.358 -8.246 1.00 25.02 H new ATOM 0 HH TYR C 78 24.467 -0.087 -7.783 1.00 26.29 H new ATOM 1502 N LYS C 79 31.257 1.494 -13.849 1.00 23.18 N ATOM 1503 CA LYS C 79 31.967 1.973 -15.028 1.00 24.21 C ATOM 1504 C LYS C 79 32.428 0.801 -15.886 1.00 25.82 C ATOM 1505 O LYS C 79 32.572 0.926 -17.102 1.00 27.06 O ATOM 1506 CB LYS C 79 33.167 2.827 -14.619 1.00 22.48 C ATOM 1507 CG LYS C 79 33.041 4.286 -15.027 1.00 22.08 C ATOM 1508 CD LYS C 79 34.190 4.715 -15.926 1.00 22.42 C ATOM 1509 CE LYS C 79 34.134 6.203 -16.229 1.00 22.34 C ATOM 1510 NZ LYS C 79 35.171 6.610 -17.218 1.00 23.09 N ATOM 0 H LYS C 79 31.757 1.629 -12.970 1.00 23.18 H new ATOM 0 HA LYS C 79 31.283 2.587 -15.613 1.00 24.21 H new ATOM 0 HB2 LYS C 79 33.292 2.770 -13.538 1.00 22.48 H new ATOM 0 HB3 LYS C 79 34.069 2.410 -15.066 1.00 22.48 H new ATOM 0 HG2 LYS C 79 32.095 4.439 -15.546 1.00 22.08 H new ATOM 0 HG3 LYS C 79 33.021 4.914 -14.136 1.00 22.08 H new ATOM 0 HD2 LYS C 79 35.139 4.476 -15.445 1.00 22.42 H new ATOM 0 HD3 LYS C 79 34.154 4.151 -16.858 1.00 22.42 H new ATOM 0 HE2 LYS C 79 33.146 6.458 -16.613 1.00 22.34 H new ATOM 0 HE3 LYS C 79 34.272 6.766 -15.306 1.00 22.34 H new ATOM 0 HZ1 LYS C 79 35.098 7.632 -17.397 1.00 23.09 H new ATOM 0 HZ2 LYS C 79 36.115 6.391 -16.841 1.00 23.09 H new ATOM 0 HZ3 LYS C 79 35.025 6.092 -18.108 1.00 23.09 H new ATOM 1524 N LYS C 80 32.657 -0.340 -15.243 1.00 25.94 N ATOM 1525 CA LYS C 80 33.099 -1.538 -15.944 1.00 27.49 C ATOM 1526 C LYS C 80 32.031 -2.020 -16.918 1.00 29.73 C ATOM 1527 O LYS C 80 32.334 -2.418 -18.043 1.00 31.51 O ATOM 1528 CB LYS C 80 33.434 -2.645 -14.943 1.00 26.85 C ATOM 1529 CG LYS C 80 34.890 -3.076 -14.979 1.00 24.70 C ATOM 1530 CD LYS C 80 35.541 -2.947 -13.611 1.00 22.66 C ATOM 1531 CE LYS C 80 37.034 -2.688 -13.728 1.00 21.91 C ATOM 1532 NZ LYS C 80 37.801 -3.364 -12.645 1.00 21.74 N ATOM 0 H LYS C 80 32.543 -0.459 -14.236 1.00 25.94 H new ATOM 0 HA LYS C 80 33.996 -1.289 -16.511 1.00 27.49 H new ATOM 0 HB2 LYS C 80 33.190 -2.301 -13.938 1.00 26.85 H new ATOM 0 HB3 LYS C 80 32.802 -3.510 -15.145 1.00 26.85 H new ATOM 0 HG2 LYS C 80 34.957 -4.109 -15.319 1.00 24.70 H new ATOM 0 HG3 LYS C 80 35.434 -2.467 -15.701 1.00 24.70 H new ATOM 0 HD2 LYS C 80 35.071 -2.133 -13.059 1.00 22.66 H new ATOM 0 HD3 LYS C 80 35.372 -3.859 -13.039 1.00 22.66 H new ATOM 0 HE2 LYS C 80 37.389 -3.039 -14.697 1.00 21.91 H new ATOM 0 HE3 LYS C 80 37.220 -1.615 -13.690 1.00 21.91 H new ATOM 0 HZ1 LYS C 80 38.815 -3.163 -12.760 1.00 21.74 H new ATOM 0 HZ2 LYS C 80 37.481 -3.011 -11.721 1.00 21.74 H new ATOM 0 HZ3 LYS C 80 37.644 -4.391 -12.697 1.00 21.74 H new ATOM 1546 N THR C 81 30.778 -1.978 -16.478 1.00 29.78 N ATOM 1547 CA THR C 81 29.659 -2.406 -17.310 1.00 31.98 C ATOM 1548 C THR C 81 29.573 -1.563 -18.576 1.00 34.02 C ATOM 1549 O THR C 81 29.975 -1.999 -19.655 1.00 34.33 O ATOM 1550 CB THR C 81 28.349 -2.307 -16.527 1.00 31.86 C ATOM 1551 OG1 THR C 81 28.121 -0.978 -16.095 1.00 30.74 O ATOM 1552 CG2 THR C 81 28.312 -3.200 -15.306 1.00 30.81 C ATOM 0 H THR C 81 30.511 -1.652 -15.549 1.00 29.78 H new ATOM 0 HA THR C 81 29.825 -3.445 -17.596 1.00 31.98 H new ATOM 0 HB THR C 81 27.574 -2.635 -17.220 1.00 31.86 H new ATOM 0 HG1 THR C 81 28.803 -0.726 -15.437 1.00 30.74 H new ATOM 0 HG21 THR C 81 27.356 -3.081 -14.797 1.00 30.81 H new ATOM 0 HG22 THR C 81 28.434 -4.239 -15.611 1.00 30.81 H new ATOM 0 HG23 THR C 81 29.120 -2.924 -14.629 1.00 30.81 H new ATOM 1616 N ASP D 54 25.860 7.323 -17.008 1.00 32.60 N ATOM 1617 CA ASP D 54 24.941 6.549 -16.181 1.00 29.94 C ATOM 1618 C ASP D 54 25.672 5.911 -15.006 1.00 29.03 C ATOM 1619 O ASP D 54 25.173 5.903 -13.881 1.00 27.71 O ATOM 1620 CB ASP D 54 24.253 5.469 -17.018 1.00 29.45 C ATOM 1621 CG ASP D 54 22.809 5.255 -16.609 1.00 26.93 C ATOM 1622 OD1 ASP D 54 22.536 5.211 -15.391 1.00 26.06 O ATOM 1623 OD2 ASP D 54 21.949 5.130 -17.508 1.00 25.86 O ATOM 0 HA ASP D 54 24.185 7.229 -15.788 1.00 29.94 H new ATOM 0 HB2 ASP D 54 24.292 5.749 -18.071 1.00 29.45 H new ATOM 0 HB3 ASP D 54 24.799 4.531 -16.917 1.00 29.45 H new ATOM 1628 N ALA D 55 26.857 5.378 -15.275 1.00 29.86 N ATOM 1629 CA ALA D 55 27.659 4.738 -14.241 1.00 29.24 C ATOM 1630 C ALA D 55 27.825 5.654 -13.033 1.00 27.41 C ATOM 1631 O ALA D 55 27.810 5.199 -11.890 1.00 25.84 O ATOM 1632 CB ALA D 55 29.018 4.342 -14.798 1.00 31.52 C ATOM 0 H ALA D 55 27.284 5.376 -16.201 1.00 29.86 H new ATOM 0 HA ALA D 55 27.138 3.838 -13.913 1.00 29.24 H new ATOM 0 HB1 ALA D 55 29.607 3.865 -14.015 1.00 31.52 H new ATOM 0 HB2 ALA D 55 28.883 3.646 -15.626 1.00 31.52 H new ATOM 0 HB3 ALA D 55 29.539 5.231 -15.153 1.00 31.52 H new ATOM 1638 N GLU D 56 27.982 6.947 -13.296 1.00 27.86 N ATOM 1639 CA GLU D 56 28.150 7.929 -12.230 1.00 26.51 C ATOM 1640 C GLU D 56 26.848 8.121 -11.460 1.00 24.19 C ATOM 1641 O GLU D 56 26.819 8.024 -10.234 1.00 24.07 O ATOM 1642 CB GLU D 56 28.618 9.266 -12.807 1.00 28.14 C ATOM 1643 CG GLU D 56 29.726 9.923 -12.000 1.00 30.01 C ATOM 1644 CD GLU D 56 29.271 11.196 -11.315 1.00 29.56 C ATOM 1645 OE1 GLU D 56 28.167 11.195 -10.732 1.00 28.53 O ATOM 1646 OE2 GLU D 56 30.019 12.195 -11.362 1.00 30.43 O ATOM 0 H GLU D 56 27.996 7.340 -14.237 1.00 27.86 H new ATOM 0 HA GLU D 56 28.908 7.555 -11.541 1.00 26.51 H new ATOM 0 HB2 GLU D 56 28.967 9.109 -13.828 1.00 28.14 H new ATOM 0 HB3 GLU D 56 27.768 9.946 -12.862 1.00 28.14 H new ATOM 0 HG2 GLU D 56 30.089 9.221 -11.250 1.00 30.01 H new ATOM 0 HG3 GLU D 56 30.565 10.149 -12.658 1.00 30.01 H new ATOM 1653 N ARG D 57 25.770 8.389 -12.189 1.00 22.56 N ATOM 1654 CA ARG D 57 24.462 8.590 -11.575 1.00 20.34 C ATOM 1655 C ARG D 57 24.056 7.369 -10.758 1.00 18.96 C ATOM 1656 O ARG D 57 23.288 7.474 -9.803 1.00 18.32 O ATOM 1657 CB ARG D 57 23.409 8.875 -12.648 1.00 18.76 C ATOM 1658 CG ARG D 57 23.824 9.947 -13.642 1.00 19.84 C ATOM 1659 CD ARG D 57 22.661 10.860 -13.993 1.00 18.16 C ATOM 1660 NE ARG D 57 23.016 11.830 -15.024 1.00 19.67 N ATOM 1661 CZ ARG D 57 22.215 12.818 -15.413 1.00 19.49 C ATOM 1662 NH1 ARG D 57 21.019 12.960 -14.859 1.00 18.02 N ATOM 1663 NH2 ARG D 57 22.610 13.663 -16.356 1.00 20.99 N ATOM 0 H ARG D 57 25.776 8.472 -13.206 1.00 22.56 H new ATOM 0 HA ARG D 57 24.528 9.448 -10.907 1.00 20.34 H new ATOM 0 HB2 ARG D 57 23.196 7.953 -13.189 1.00 18.76 H new ATOM 0 HB3 ARG D 57 22.482 9.181 -12.163 1.00 18.76 H new ATOM 0 HG2 ARG D 57 24.638 10.538 -13.223 1.00 19.84 H new ATOM 0 HG3 ARG D 57 24.205 9.477 -14.548 1.00 19.84 H new ATOM 0 HD2 ARG D 57 21.819 10.258 -14.336 1.00 18.16 H new ATOM 0 HD3 ARG D 57 22.332 11.387 -13.098 1.00 18.16 H new ATOM 0 HE ARG D 57 23.929 11.746 -15.471 1.00 19.67 H new ATOM 0 HH11 ARG D 57 20.713 12.311 -14.134 1.00 18.02 H new ATOM 0 HH12 ARG D 57 20.405 13.718 -15.158 1.00 18.02 H new ATOM 0 HH21 ARG D 57 23.530 13.556 -16.784 1.00 20.99 H new ATOM 0 HH22 ARG D 57 21.994 14.420 -16.653 1.00 20.99 H new ATOM 1677 N LEU D 58 24.579 6.209 -11.143 1.00 18.68 N ATOM 1678 CA LEU D 58 24.276 4.962 -10.449 1.00 17.38 C ATOM 1679 C LEU D 58 25.035 4.875 -9.133 1.00 17.17 C ATOM 1680 O LEU D 58 24.447 4.640 -8.076 1.00 15.81 O ATOM 1681 CB LEU D 58 24.631 3.764 -11.332 1.00 16.52 C ATOM 1682 CG LEU D 58 23.622 3.446 -12.436 1.00 15.31 C ATOM 1683 CD1 LEU D 58 24.055 2.212 -13.211 1.00 15.38 C ATOM 1684 CD2 LEU D 58 22.235 3.244 -11.847 1.00 12.88 C ATOM 0 H LEU D 58 25.216 6.107 -11.933 1.00 18.68 H new ATOM 0 HA LEU D 58 23.207 4.945 -10.235 1.00 17.38 H new ATOM 0 HB2 LEU D 58 25.602 3.947 -11.792 1.00 16.52 H new ATOM 0 HB3 LEU D 58 24.740 2.885 -10.697 1.00 16.52 H new ATOM 0 HG LEU D 58 23.585 4.291 -13.124 1.00 15.31 H new ATOM 0 HD11 LEU D 58 23.326 1.999 -13.993 1.00 15.38 H new ATOM 0 HD12 LEU D 58 25.031 2.390 -13.663 1.00 15.38 H new ATOM 0 HD13 LEU D 58 24.119 1.361 -12.533 1.00 15.38 H new ATOM 0 HD21 LEU D 58 21.529 3.019 -12.647 1.00 12.88 H new ATOM 0 HD22 LEU D 58 22.258 2.416 -11.139 1.00 12.88 H new ATOM 0 HD23 LEU D 58 21.922 4.153 -11.333 1.00 12.88 H new ATOM 1696 N ALA D 59 26.347 5.065 -9.204 1.00 18.56 N ATOM 1697 CA ALA D 59 27.193 5.009 -8.021 1.00 18.55 C ATOM 1698 C ALA D 59 26.719 5.999 -6.967 1.00 19.09 C ATOM 1699 O ALA D 59 26.530 5.640 -5.807 1.00 18.96 O ATOM 1700 CB ALA D 59 28.642 5.285 -8.395 1.00 18.61 C ATOM 0 H ALA D 59 26.848 5.260 -10.071 1.00 18.56 H new ATOM 0 HA ALA D 59 27.124 4.006 -7.599 1.00 18.55 H new ATOM 0 HB1 ALA D 59 29.264 5.240 -7.501 1.00 18.61 H new ATOM 0 HB2 ALA D 59 28.982 4.537 -9.111 1.00 18.61 H new ATOM 0 HB3 ALA D 59 28.720 6.276 -8.842 1.00 18.61 H new ATOM 1706 N ASP D 60 26.527 7.247 -7.379 1.00 19.90 N ATOM 1707 CA ASP D 60 26.074 8.290 -6.466 1.00 20.57 C ATOM 1708 C ASP D 60 24.724 7.929 -5.855 1.00 18.57 C ATOM 1709 O ASP D 60 24.555 7.962 -4.636 1.00 18.54 O ATOM 1710 CB ASP D 60 25.974 9.630 -7.198 1.00 22.85 C ATOM 1711 CG ASP D 60 25.623 10.774 -6.267 1.00 23.53 C ATOM 1712 OD1 ASP D 60 24.449 10.861 -5.850 1.00 23.04 O ATOM 1713 OD2 ASP D 60 26.522 11.584 -5.956 1.00 24.80 O ATOM 0 H ASP D 60 26.678 7.561 -8.338 1.00 19.90 H new ATOM 0 HA ASP D 60 26.805 8.377 -5.662 1.00 20.57 H new ATOM 0 HB2 ASP D 60 26.923 9.844 -7.690 1.00 22.85 H new ATOM 0 HB3 ASP D 60 25.219 9.558 -7.981 1.00 22.85 H new ATOM 1718 N GLU D 61 23.768 7.581 -6.708 1.00 17.02 N ATOM 1719 CA GLU D 61 22.435 7.211 -6.250 1.00 15.37 C ATOM 1720 C GLU D 61 22.503 6.031 -5.285 1.00 13.15 C ATOM 1721 O GLU D 61 21.745 5.961 -4.318 1.00 12.23 O ATOM 1722 CB GLU D 61 21.544 6.862 -7.443 1.00 15.44 C ATOM 1723 CG GLU D 61 20.177 6.331 -7.046 1.00 13.75 C ATOM 1724 CD GLU D 61 19.390 7.321 -6.210 1.00 14.34 C ATOM 1725 OE1 GLU D 61 19.312 8.503 -6.606 1.00 16.40 O ATOM 1726 OE2 GLU D 61 18.853 6.914 -5.158 1.00 13.09 O ATOM 0 H GLU D 61 23.891 7.547 -7.720 1.00 17.02 H new ATOM 0 HA GLU D 61 22.006 8.063 -5.723 1.00 15.37 H new ATOM 0 HB2 GLU D 61 21.414 7.750 -8.061 1.00 15.44 H new ATOM 0 HB3 GLU D 61 22.049 6.117 -8.058 1.00 15.44 H new ATOM 0 HG2 GLU D 61 19.610 6.088 -7.945 1.00 13.75 H new ATOM 0 HG3 GLU D 61 20.300 5.404 -6.486 1.00 13.75 H new ATOM 1733 N GLN D 62 23.418 5.108 -5.557 1.00 12.55 N ATOM 1734 CA GLN D 62 23.590 3.930 -4.715 1.00 11.08 C ATOM 1735 C GLN D 62 24.278 4.294 -3.403 1.00 10.14 C ATOM 1736 O GLN D 62 23.807 3.931 -2.325 1.00 9.48 O ATOM 1737 CB GLN D 62 24.400 2.864 -5.456 1.00 11.55 C ATOM 1738 CG GLN D 62 23.596 2.049 -6.468 1.00 13.01 C ATOM 1739 CD GLN D 62 22.494 2.844 -7.146 1.00 13.10 C ATOM 1740 OE1 GLN D 62 21.653 3.453 -6.486 1.00 12.22 O ATOM 1741 NE2 GLN D 62 22.491 2.835 -8.472 1.00 14.62 N ATOM 0 H GLN D 62 24.053 5.153 -6.354 1.00 12.55 H new ATOM 0 HA GLN D 62 22.603 3.530 -4.484 1.00 11.08 H new ATOM 0 HB2 GLN D 62 25.227 3.349 -5.974 1.00 11.55 H new ATOM 0 HB3 GLN D 62 24.837 2.184 -4.725 1.00 11.55 H new ATOM 0 HG2 GLN D 62 24.273 1.659 -7.228 1.00 13.01 H new ATOM 0 HG3 GLN D 62 23.155 1.190 -5.963 1.00 13.01 H new ATOM 0 HE21 GLN D 62 23.208 2.317 -8.980 1.00 14.62 H new ATOM 0 HE22 GLN D 62 21.772 3.347 -8.984 1.00 14.62 H new ATOM 1750 N SER D 63 25.391 5.019 -3.498 1.00 10.82 N ATOM 1751 CA SER D 63 26.131 5.432 -2.311 1.00 11.00 C ATOM 1752 C SER D 63 25.238 6.252 -1.390 1.00 9.03 C ATOM 1753 O SER D 63 25.062 5.920 -0.217 1.00 8.46 O ATOM 1754 CB SER D 63 27.364 6.251 -2.699 1.00 13.33 C ATOM 1755 OG SER D 63 27.970 5.738 -3.870 1.00 13.40 O ATOM 0 H SER D 63 25.797 5.330 -4.380 1.00 10.82 H new ATOM 0 HA SER D 63 26.458 4.535 -1.786 1.00 11.00 H new ATOM 0 HB2 SER D 63 27.078 7.290 -2.860 1.00 13.33 H new ATOM 0 HB3 SER D 63 28.083 6.241 -1.880 1.00 13.33 H new ATOM 0 HG SER D 63 27.502 6.083 -4.659 1.00 13.40 H new ATOM 1761 N GLU D 64 24.665 7.322 -1.935 1.00 8.35 N ATOM 1762 CA GLU D 64 23.779 8.191 -1.171 1.00 6.84 C ATOM 1763 C GLU D 64 22.740 7.367 -0.415 1.00 4.89 C ATOM 1764 O GLU D 64 22.384 7.686 0.719 1.00 4.14 O ATOM 1765 CB GLU D 64 23.088 9.186 -2.105 1.00 6.00 C ATOM 1766 CG GLU D 64 21.999 8.565 -2.965 1.00 5.43 C ATOM 1767 CD GLU D 64 21.150 9.602 -3.674 1.00 6.12 C ATOM 1768 OE1 GLU D 64 21.728 10.541 -4.262 1.00 6.53 O ATOM 1769 OE2 GLU D 64 19.908 9.474 -3.645 1.00 6.30 O ATOM 0 H GLU D 64 24.800 7.607 -2.905 1.00 8.35 H new ATOM 0 HA GLU D 64 24.375 8.743 -0.444 1.00 6.84 H new ATOM 0 HB2 GLU D 64 22.654 9.989 -1.509 1.00 6.00 H new ATOM 0 HB3 GLU D 64 23.836 9.640 -2.755 1.00 6.00 H new ATOM 0 HG2 GLU D 64 22.457 7.908 -3.705 1.00 5.43 H new ATOM 0 HG3 GLU D 64 21.359 7.943 -2.340 1.00 5.43 H new ATOM 1776 N LEU D 65 22.266 6.302 -1.053 1.00 4.37 N ATOM 1777 CA LEU D 65 21.276 5.424 -0.446 1.00 3.50 C ATOM 1778 C LEU D 65 21.843 4.758 0.803 1.00 2.47 C ATOM 1779 O LEU D 65 21.155 4.623 1.814 1.00 2.99 O ATOM 1780 CB LEU D 65 20.825 4.360 -1.449 1.00 2.61 C ATOM 1781 CG LEU D 65 19.322 4.327 -1.727 1.00 4.80 C ATOM 1782 CD1 LEU D 65 19.059 4.199 -3.219 1.00 6.00 C ATOM 1783 CD2 LEU D 65 18.665 3.185 -0.968 1.00 4.87 C ATOM 0 H LEU D 65 22.553 6.027 -1.992 1.00 4.37 H new ATOM 0 HA LEU D 65 20.414 6.026 -0.158 1.00 3.50 H new ATOM 0 HB2 LEU D 65 21.349 4.525 -2.390 1.00 2.61 H new ATOM 0 HB3 LEU D 65 21.132 3.381 -1.080 1.00 2.61 H new ATOM 0 HG LEU D 65 18.887 5.264 -1.381 1.00 4.80 H new ATOM 0 HD11 LEU D 65 17.984 4.177 -3.398 1.00 6.00 H new ATOM 0 HD12 LEU D 65 19.497 5.051 -3.740 1.00 6.00 H new ATOM 0 HD13 LEU D 65 19.508 3.277 -3.590 1.00 6.00 H new ATOM 0 HD21 LEU D 65 17.595 3.177 -1.178 1.00 4.87 H new ATOM 0 HD22 LEU D 65 19.104 2.238 -1.283 1.00 4.87 H new ATOM 0 HD23 LEU D 65 18.824 3.320 0.102 1.00 4.87 H new ATOM 1795 N VAL D 66 23.106 4.349 0.725 1.00 1.26 N ATOM 1796 CA VAL D 66 23.769 3.702 1.850 1.00 1.29 C ATOM 1797 C VAL D 66 23.894 4.656 3.031 1.00 2.28 C ATOM 1798 O VAL D 66 23.736 4.258 4.186 1.00 3.05 O ATOM 1799 CB VAL D 66 25.171 3.197 1.463 1.00 4.29 C ATOM 1800 CG1 VAL D 66 25.679 2.192 2.485 1.00 5.24 C ATOM 1801 CG2 VAL D 66 25.156 2.589 0.069 1.00 5.63 C ATOM 0 H VAL D 66 23.689 4.454 -0.105 1.00 1.26 H new ATOM 0 HA VAL D 66 23.152 2.850 2.135 1.00 1.29 H new ATOM 0 HB VAL D 66 25.852 4.048 1.455 1.00 4.29 H new ATOM 0 HG11 VAL D 66 26.671 1.847 2.194 1.00 5.24 H new ATOM 0 HG12 VAL D 66 25.733 2.665 3.465 1.00 5.24 H new ATOM 0 HG13 VAL D 66 24.998 1.342 2.529 1.00 5.24 H new ATOM 0 HG21 VAL D 66 26.156 2.238 -0.186 1.00 5.63 H new ATOM 0 HG22 VAL D 66 24.460 1.750 0.045 1.00 5.63 H new ATOM 0 HG23 VAL D 66 24.841 3.342 -0.653 1.00 5.63 H new ATOM 1811 N LYS D 67 24.177 5.919 2.734 1.00 3.47 N ATOM 1812 CA LYS D 67 24.322 6.935 3.769 1.00 5.60 C ATOM 1813 C LYS D 67 23.083 6.988 4.652 1.00 7.29 C ATOM 1814 O LYS D 67 23.148 6.704 5.849 1.00 7.80 O ATOM 1815 CB LYS D 67 24.572 8.306 3.136 1.00 7.22 C ATOM 1816 CG LYS D 67 25.441 9.219 3.985 1.00 6.92 C ATOM 1817 CD LYS D 67 24.705 10.494 4.366 1.00 8.68 C ATOM 1818 CE LYS D 67 25.656 11.675 4.471 1.00 10.14 C ATOM 1819 NZ LYS D 67 25.198 12.831 3.653 1.00 12.74 N ATOM 0 H LYS D 67 24.311 6.264 1.783 1.00 3.47 H new ATOM 0 HA LYS D 67 25.178 6.669 4.389 1.00 5.60 H new ATOM 0 HB2 LYS D 67 25.046 8.167 2.164 1.00 7.22 H new ATOM 0 HB3 LYS D 67 23.614 8.794 2.956 1.00 7.22 H new ATOM 0 HG2 LYS D 67 25.750 8.692 4.888 1.00 6.92 H new ATOM 0 HG3 LYS D 67 26.349 9.472 3.437 1.00 6.92 H new ATOM 0 HD2 LYS D 67 23.937 10.708 3.622 1.00 8.68 H new ATOM 0 HD3 LYS D 67 24.195 10.350 5.318 1.00 8.68 H new ATOM 0 HE2 LYS D 67 25.742 11.980 5.514 1.00 10.14 H new ATOM 0 HE3 LYS D 67 26.650 11.371 4.144 1.00 10.14 H new ATOM 0 HZ1 LYS D 67 25.874 13.616 3.752 1.00 12.74 H new ATOM 0 HZ2 LYS D 67 25.140 12.548 2.654 1.00 12.74 H new ATOM 0 HZ3 LYS D 67 24.260 13.138 3.981 1.00 12.74 H new ATOM 1833 N LYS D 68 21.951 7.350 4.055 1.00 8.57 N ATOM 1834 CA LYS D 68 20.694 7.434 4.791 1.00 10.59 C ATOM 1835 C LYS D 68 20.445 6.151 5.575 1.00 10.84 C ATOM 1836 O LYS D 68 19.853 6.173 6.654 1.00 12.04 O ATOM 1837 CB LYS D 68 19.532 7.696 3.831 1.00 10.76 C ATOM 1838 CG LYS D 68 18.171 7.689 4.506 1.00 12.71 C ATOM 1839 CD LYS D 68 17.046 7.786 3.489 1.00 14.32 C ATOM 1840 CE LYS D 68 16.466 9.190 3.435 1.00 15.85 C ATOM 1841 NZ LYS D 68 17.347 10.127 2.685 1.00 17.63 N ATOM 0 H LYS D 68 21.879 7.589 3.066 1.00 8.57 H new ATOM 0 HA LYS D 68 20.764 8.264 5.495 1.00 10.59 H new ATOM 0 HB2 LYS D 68 19.683 8.661 3.346 1.00 10.76 H new ATOM 0 HB3 LYS D 68 19.543 6.940 3.046 1.00 10.76 H new ATOM 0 HG2 LYS D 68 18.058 6.776 5.090 1.00 12.71 H new ATOM 0 HG3 LYS D 68 18.105 8.524 5.204 1.00 12.71 H new ATOM 0 HD2 LYS D 68 17.419 7.507 2.504 1.00 14.32 H new ATOM 0 HD3 LYS D 68 16.260 7.076 3.745 1.00 14.32 H new ATOM 0 HE2 LYS D 68 15.484 9.159 2.963 1.00 15.85 H new ATOM 0 HE3 LYS D 68 16.321 9.562 4.449 1.00 15.85 H new ATOM 0 HZ1 LYS D 68 16.870 11.046 2.584 1.00 17.63 H new ATOM 0 HZ2 LYS D 68 18.239 10.255 3.204 1.00 17.63 H new ATOM 0 HZ3 LYS D 68 17.548 9.735 1.743 1.00 17.63 H new ATOM 1855 N MET D 69 20.907 5.033 5.025 1.00 10.24 N ATOM 1856 CA MET D 69 20.744 3.737 5.672 1.00 11.12 C ATOM 1857 C MET D 69 21.582 3.661 6.943 1.00 12.36 C ATOM 1858 O MET D 69 21.071 3.356 8.021 1.00 12.93 O ATOM 1859 CB MET D 69 21.145 2.614 4.714 1.00 9.56 C ATOM 1860 CG MET D 69 20.897 1.222 5.268 1.00 10.36 C ATOM 1861 SD MET D 69 21.704 -0.063 4.295 1.00 10.36 S ATOM 1862 CE MET D 69 23.374 0.578 4.211 1.00 9.01 C ATOM 0 H MET D 69 21.398 4.999 4.132 1.00 10.24 H new ATOM 0 HA MET D 69 19.694 3.618 5.941 1.00 11.12 H new ATOM 0 HB2 MET D 69 20.592 2.728 3.782 1.00 9.56 H new ATOM 0 HB3 MET D 69 22.203 2.716 4.471 1.00 9.56 H new ATOM 0 HG2 MET D 69 21.256 1.174 6.296 1.00 10.36 H new ATOM 0 HG3 MET D 69 19.824 1.032 5.296 1.00 10.36 H new ATOM 0 HE1 MET D 69 24.050 -0.211 3.881 1.00 9.01 H new ATOM 0 HE2 MET D 69 23.410 1.407 3.504 1.00 9.01 H new ATOM 0 HE3 MET D 69 23.679 0.928 5.197 1.00 9.01 H new ATOM 1872 N VAL D 70 22.874 3.947 6.809 1.00 12.94 N ATOM 1873 CA VAL D 70 23.785 3.917 7.946 1.00 14.21 C ATOM 1874 C VAL D 70 23.494 5.065 8.905 1.00 15.14 C ATOM 1875 O VAL D 70 23.795 4.983 10.097 1.00 14.71 O ATOM 1876 CB VAL D 70 25.255 3.993 7.491 1.00 13.56 C ATOM 1877 CG1 VAL D 70 26.194 3.917 8.685 1.00 14.45 C ATOM 1878 CG2 VAL D 70 25.558 2.886 6.491 1.00 11.36 C ATOM 0 H VAL D 70 23.312 4.202 5.924 1.00 12.94 H new ATOM 0 HA VAL D 70 23.626 2.969 8.460 1.00 14.21 H new ATOM 0 HB VAL D 70 25.415 4.953 6.999 1.00 13.56 H new ATOM 0 HG11 VAL D 70 27.226 3.972 8.340 1.00 14.45 H new ATOM 0 HG12 VAL D 70 25.992 4.748 9.360 1.00 14.45 H new ATOM 0 HG13 VAL D 70 26.038 2.976 9.212 1.00 14.45 H new ATOM 0 HG21 VAL D 70 26.600 2.953 6.179 1.00 11.36 H new ATOM 0 HG22 VAL D 70 25.380 1.917 6.956 1.00 11.36 H new ATOM 0 HG23 VAL D 70 24.911 2.995 5.621 1.00 11.36 H new ATOM 1888 N PHE D 71 22.902 6.133 8.380 1.00 16.65 N ATOM 1889 CA PHE D 71 22.564 7.296 9.191 1.00 17.98 C ATOM 1890 C PHE D 71 21.605 6.909 10.311 1.00 19.37 C ATOM 1891 O PHE D 71 21.795 7.295 11.466 1.00 19.36 O ATOM 1892 CB PHE D 71 21.941 8.388 8.321 1.00 19.84 C ATOM 1893 CG PHE D 71 21.721 9.684 9.049 1.00 21.10 C ATOM 1894 CD1 PHE D 71 22.774 10.301 9.740 1.00 21.12 C ATOM 1895 CD2 PHE D 71 20.461 10.298 9.049 1.00 22.49 C ATOM 1896 CE1 PHE D 71 22.574 11.506 10.418 1.00 22.63 C ATOM 1897 CE2 PHE D 71 20.255 11.504 9.725 1.00 23.87 C ATOM 1898 CZ PHE D 71 21.312 12.108 10.410 1.00 24.00 C ATOM 0 H PHE D 71 22.647 6.217 7.396 1.00 16.65 H new ATOM 0 HA PHE D 71 23.481 7.681 9.636 1.00 17.98 H new ATOM 0 HB2 PHE D 71 22.587 8.569 7.461 1.00 19.84 H new ATOM 0 HB3 PHE D 71 20.986 8.032 7.933 1.00 19.84 H new ATOM 0 HD1 PHE D 71 23.750 9.839 9.748 1.00 21.12 H new ATOM 0 HD2 PHE D 71 19.641 9.834 8.521 1.00 22.49 H new ATOM 0 HE1 PHE D 71 23.392 11.972 10.947 1.00 22.63 H new ATOM 0 HE2 PHE D 71 19.280 11.968 9.718 1.00 23.87 H new ATOM 0 HZ PHE D 71 21.155 13.040 10.933 1.00 24.00 H new ATOM 1908 N ASP D 72 20.578 6.140 9.964 1.00 20.76 N ATOM 1909 CA ASP D 72 19.593 5.695 10.942 1.00 22.60 C ATOM 1910 C ASP D 72 20.233 4.762 11.962 1.00 21.98 C ATOM 1911 O ASP D 72 20.027 4.907 13.167 1.00 22.46 O ATOM 1912 CB ASP D 72 18.430 4.989 10.244 1.00 24.39 C ATOM 1913 CG ASP D 72 17.080 5.473 10.736 1.00 26.47 C ATOM 1914 OD1 ASP D 72 16.713 5.141 11.883 1.00 26.48 O ATOM 1915 OD2 ASP D 72 16.390 6.183 9.976 1.00 28.15 O ATOM 0 H ASP D 72 20.407 5.812 9.013 1.00 20.76 H new ATOM 0 HA ASP D 72 19.211 6.572 11.464 1.00 22.60 H new ATOM 0 HB2 ASP D 72 18.502 5.153 9.169 1.00 24.39 H new ATOM 0 HB3 ASP D 72 18.510 3.914 10.409 1.00 24.39 H new ATOM 1920 N THR D 73 21.013 3.804 11.470 1.00 21.25 N ATOM 1921 CA THR D 73 21.687 2.846 12.339 1.00 21.06 C ATOM 1922 C THR D 73 22.466 3.563 13.437 1.00 21.54 C ATOM 1923 O THR D 73 22.200 3.376 14.625 1.00 23.40 O ATOM 1924 CB THR D 73 22.632 1.966 11.521 1.00 18.47 C ATOM 1925 OG1 THR D 73 21.916 1.236 10.541 1.00 18.48 O ATOM 1926 CG2 THR D 73 23.401 0.972 12.364 1.00 17.24 C ATOM 0 H THR D 73 21.194 3.671 10.475 1.00 21.25 H new ATOM 0 HA THR D 73 20.928 2.219 12.807 1.00 21.06 H new ATOM 0 HB THR D 73 23.341 2.653 11.060 1.00 18.47 H new ATOM 0 HG1 THR D 73 22.431 1.214 9.708 1.00 18.48 H new ATOM 0 HG21 THR D 73 24.053 0.379 11.723 1.00 17.24 H new ATOM 0 HG22 THR D 73 24.003 1.507 13.099 1.00 17.24 H new ATOM 0 HG23 THR D 73 22.701 0.313 12.879 1.00 17.24 H new ATOM 1934 N LEU D 74 23.428 4.384 13.031 1.00 19.93 N ATOM 1935 CA LEU D 74 24.250 5.131 13.977 1.00 20.18 C ATOM 1936 C LEU D 74 23.381 5.865 14.992 1.00 21.27 C ATOM 1937 O LEU D 74 23.635 5.808 16.196 1.00 21.66 O ATOM 1938 CB LEU D 74 25.139 6.127 13.232 1.00 18.33 C ATOM 1939 CG LEU D 74 26.254 5.497 12.394 1.00 15.58 C ATOM 1940 CD1 LEU D 74 27.196 6.570 11.869 1.00 14.91 C ATOM 1941 CD2 LEU D 74 27.017 4.468 13.212 1.00 14.55 C ATOM 0 H LEU D 74 23.658 4.550 12.051 1.00 19.93 H new ATOM 0 HA LEU D 74 24.880 4.422 14.514 1.00 20.18 H new ATOM 0 HB2 LEU D 74 24.512 6.733 12.578 1.00 18.33 H new ATOM 0 HB3 LEU D 74 25.589 6.804 13.958 1.00 18.33 H new ATOM 0 HG LEU D 74 25.802 4.990 11.541 1.00 15.58 H new ATOM 0 HD11 LEU D 74 27.983 6.105 11.275 1.00 14.91 H new ATOM 0 HD12 LEU D 74 26.639 7.271 11.247 1.00 14.91 H new ATOM 0 HD13 LEU D 74 27.642 7.104 12.708 1.00 14.91 H new ATOM 0 HD21 LEU D 74 27.806 4.030 12.601 1.00 14.55 H new ATOM 0 HD22 LEU D 74 27.459 4.951 14.084 1.00 14.55 H new ATOM 0 HD23 LEU D 74 26.334 3.684 13.539 1.00 14.55 H new ATOM 1953 N LYS D 75 22.355 6.554 14.503 1.00 21.94 N ATOM 1954 CA LYS D 75 21.449 7.297 15.373 1.00 23.27 C ATOM 1955 C LYS D 75 20.958 6.420 16.518 1.00 25.01 C ATOM 1956 O LYS D 75 20.871 6.864 17.663 1.00 25.99 O ATOM 1957 CB LYS D 75 20.258 7.828 14.573 1.00 22.70 C ATOM 1958 CG LYS D 75 20.043 9.325 14.721 1.00 23.05 C ATOM 1959 CD LYS D 75 18.759 9.774 14.043 1.00 22.54 C ATOM 1960 CE LYS D 75 18.807 11.250 13.680 1.00 22.70 C ATOM 1961 NZ LYS D 75 17.671 11.643 12.801 1.00 22.19 N ATOM 0 H LYS D 75 22.130 6.614 13.510 1.00 21.94 H new ATOM 0 HA LYS D 75 21.998 8.140 15.793 1.00 23.27 H new ATOM 0 HB2 LYS D 75 20.406 7.593 13.519 1.00 22.70 H new ATOM 0 HB3 LYS D 75 19.356 7.307 14.892 1.00 22.70 H new ATOM 0 HG2 LYS D 75 20.007 9.585 15.779 1.00 23.05 H new ATOM 0 HG3 LYS D 75 20.889 9.859 14.290 1.00 23.05 H new ATOM 0 HD2 LYS D 75 18.596 9.182 13.143 1.00 22.54 H new ATOM 0 HD3 LYS D 75 17.913 9.588 14.705 1.00 22.54 H new ATOM 0 HE2 LYS D 75 18.785 11.849 14.591 1.00 22.70 H new ATOM 0 HE3 LYS D 75 19.748 11.470 13.176 1.00 22.70 H new ATOM 0 HZ1 LYS D 75 17.740 12.656 12.576 1.00 22.19 H new ATOM 0 HZ2 LYS D 75 17.706 11.090 11.921 1.00 22.19 H new ATOM 0 HZ3 LYS D 75 16.773 11.458 13.291 1.00 22.19 H new ATOM 1975 N ASP D 76 20.644 5.170 16.200 1.00 25.44 N ATOM 1976 CA ASP D 76 20.165 4.222 17.195 1.00 27.10 C ATOM 1977 C ASP D 76 21.327 3.660 18.009 1.00 27.97 C ATOM 1978 O ASP D 76 21.154 3.252 19.157 1.00 29.55 O ATOM 1979 CB ASP D 76 19.402 3.082 16.519 1.00 26.89 C ATOM 1980 CG ASP D 76 18.002 3.489 16.107 1.00 28.41 C ATOM 1981 OD1 ASP D 76 17.867 4.233 15.113 1.00 29.14 O ATOM 1982 OD2 ASP D 76 17.039 3.065 16.779 1.00 28.95 O ATOM 0 H ASP D 76 20.713 4.789 15.256 1.00 25.44 H new ATOM 0 HA ASP D 76 19.491 4.749 17.870 1.00 27.10 H new ATOM 0 HB2 ASP D 76 19.954 2.750 15.640 1.00 26.89 H new ATOM 0 HB3 ASP D 76 19.345 2.233 17.200 1.00 26.89 H new ATOM 1987 N LEU D 77 22.509 3.641 17.403 1.00 26.97 N ATOM 1988 CA LEU D 77 23.702 3.130 18.067 1.00 27.76 C ATOM 1989 C LEU D 77 24.113 4.033 19.226 1.00 29.02 C ATOM 1990 O LEU D 77 24.408 3.558 20.322 1.00 30.66 O ATOM 1991 CB LEU D 77 24.852 3.011 17.065 1.00 26.25 C ATOM 1992 CG LEU D 77 24.861 1.724 16.241 1.00 24.80 C ATOM 1993 CD1 LEU D 77 25.951 1.776 15.182 1.00 21.85 C ATOM 1994 CD2 LEU D 77 25.052 0.515 17.145 1.00 25.88 C ATOM 0 H LEU D 77 22.666 3.974 16.452 1.00 26.97 H new ATOM 0 HA LEU D 77 23.471 2.143 18.467 1.00 27.76 H new ATOM 0 HB2 LEU D 77 24.809 3.861 16.383 1.00 26.25 H new ATOM 0 HB3 LEU D 77 25.795 3.084 17.607 1.00 26.25 H new ATOM 0 HG LEU D 77 23.898 1.630 15.738 1.00 24.80 H new ATOM 0 HD11 LEU D 77 25.942 0.851 14.605 1.00 21.85 H new ATOM 0 HD12 LEU D 77 25.772 2.620 14.517 1.00 21.85 H new ATOM 0 HD13 LEU D 77 26.921 1.894 15.664 1.00 21.85 H new ATOM 0 HD21 LEU D 77 25.056 -0.393 16.542 1.00 25.88 H new ATOM 0 HD22 LEU D 77 26.001 0.603 17.675 1.00 25.88 H new ATOM 0 HD23 LEU D 77 24.236 0.468 17.867 1.00 25.88 H new ATOM 2006 N TYR D 78 24.130 5.338 18.973 1.00 28.37 N ATOM 2007 CA TYR D 78 24.508 6.309 19.994 1.00 29.61 C ATOM 2008 C TYR D 78 23.431 6.425 21.069 1.00 31.84 C ATOM 2009 O TYR D 78 23.684 6.167 22.246 1.00 31.79 O ATOM 2010 CB TYR D 78 24.755 7.678 19.358 1.00 30.56 C ATOM 2011 CG TYR D 78 26.219 8.000 19.156 1.00 29.44 C ATOM 2012 CD1 TYR D 78 26.894 7.592 17.993 1.00 27.79 C ATOM 2013 CD2 TYR D 78 26.941 8.714 20.129 1.00 30.26 C ATOM 2014 CE1 TYR D 78 28.247 7.888 17.803 1.00 26.91 C ATOM 2015 CE2 TYR D 78 28.293 9.014 19.945 1.00 29.48 C ATOM 2016 CZ TYR D 78 28.941 8.599 18.782 1.00 27.78 C ATOM 2017 OH TYR D 78 30.273 8.893 18.599 1.00 27.19 O ATOM 0 H TYR D 78 23.887 5.747 18.071 1.00 28.37 H new ATOM 0 HA TYR D 78 25.427 5.960 20.465 1.00 29.61 H new ATOM 0 HB2 TYR D 78 24.247 7.718 18.394 1.00 30.56 H new ATOM 0 HB3 TYR D 78 24.306 8.447 19.987 1.00 30.56 H new ATOM 0 HD1 TYR D 78 26.359 7.041 17.234 1.00 27.79 H new ATOM 0 HD2 TYR D 78 26.443 9.035 21.032 1.00 30.26 H new ATOM 0 HE1 TYR D 78 28.752 7.568 16.904 1.00 26.91 H new ATOM 0 HE2 TYR D 78 28.834 9.565 20.700 1.00 29.48 H new ATOM 0 HH TYR D 78 30.607 9.394 19.373 1.00 27.19 H new ATOM 2027 N LYS D 79 22.231 6.819 20.657 1.00 33.84 N ATOM 2028 CA LYS D 79 21.116 6.976 21.585 1.00 36.16 C ATOM 2029 C LYS D 79 20.918 5.717 22.425 1.00 36.46 C ATOM 2030 O LYS D 79 20.397 5.779 23.538 1.00 36.70 O ATOM 2031 CB LYS D 79 19.830 7.309 20.822 1.00 36.51 C ATOM 2032 CG LYS D 79 19.222 6.120 20.093 1.00 37.25 C ATOM 2033 CD LYS D 79 18.170 6.561 19.088 1.00 38.72 C ATOM 2034 CE LYS D 79 17.126 7.461 19.731 1.00 39.63 C ATOM 2035 NZ LYS D 79 15.927 7.629 18.865 1.00 41.18 N ATOM 0 H LYS D 79 22.005 7.036 19.686 1.00 33.84 H new ATOM 0 HA LYS D 79 21.352 7.800 22.258 1.00 36.16 H new ATOM 0 HB2 LYS D 79 19.096 7.708 21.522 1.00 36.51 H new ATOM 0 HB3 LYS D 79 20.041 8.097 20.099 1.00 36.51 H new ATOM 0 HG2 LYS D 79 20.008 5.566 19.579 1.00 37.25 H new ATOM 0 HG3 LYS D 79 18.773 5.439 20.816 1.00 37.25 H new ATOM 0 HD2 LYS D 79 18.651 7.090 18.265 1.00 38.72 H new ATOM 0 HD3 LYS D 79 17.683 5.684 18.662 1.00 38.72 H new ATOM 0 HE2 LYS D 79 16.825 7.039 20.690 1.00 39.63 H new ATOM 0 HE3 LYS D 79 17.565 8.437 19.936 1.00 39.63 H new ATOM 0 HZ1 LYS D 79 15.240 8.249 19.340 1.00 41.18 H new ATOM 0 HZ2 LYS D 79 16.210 8.055 17.959 1.00 41.18 H new ATOM 0 HZ3 LYS D 79 15.492 6.701 18.690 1.00 41.18 H new