USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=19 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: B 73 THR OG1 : rot 79:sc= 0.227 USER MOD Set 1.2: D 62 GLN : amide:sc= -2.12 K(o=-1.9,f=-4.9!) USER MOD Set 2.1: B 62 GLN : amide:sc= -2.08 K(o=-1.9,f=-4.4!) USER MOD Set 2.2: D 73 THR OG1 : rot 80:sc= 0.155 USER MOD Set 3.1: A 73 THR OG1 : rot 130:sc= 0 USER MOD Set 3.2: C 69 MET CE :methyl 175:sc= -0.071 (180deg=-0.0926) USER MOD Set 4.1: A 69 MET CE :methyl 154:sc= -0.0474 (180deg=-0.0771) USER MOD Set 4.2: C 73 THR OG1 : rot -130:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.9!) USER MOD Single : A 63 SER OG : rot -97:sc= 0.483 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -105:sc= -3.48! 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 -130:sc= -3.21 USER MOD Single : B 63 SER OG : rot 83:sc= 0.755 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl 144:sc= -2.23 (180deg=-5.36!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 180:sc= -2.61! USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -1.02 K(o=-1,f=-2.9!) USER MOD Single : C 63 SER OG : rot -81:sc= 0.458 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+ 180:sc= 0 (180deg=0) USER MOD Single : C 78 TYR OH : rot -100:sc= -3.99! 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 -133:sc= -3.03 USER MOD Single : D 63 SER OG : rot 83:sc= 0.895 USER MOD Single : D 67 LYS NZ :NH3+ -170:sc= 0.00649 (180deg=0.00146) USER MOD Single : D 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 MET CE :methyl 141:sc= -2.55 (180deg=-6.19!) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot -165:sc= -2.87! USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 24.945 -12.252 -17.168 1.00 35.68 N ATOM 54 CA ALA A 55 24.597 -10.909 -16.732 1.00 34.55 C ATOM 55 C ALA A 55 23.894 -10.948 -15.381 1.00 31.97 C ATOM 56 O ALA A 55 24.258 -10.220 -14.458 1.00 31.13 O ATOM 57 CB ALA A 55 23.718 -10.226 -17.770 1.00 35.04 C ATOM 0 HA ALA A 55 25.516 -10.334 -16.623 1.00 34.55 H new ATOM 0 HB1 ALA A 55 23.466 -9.222 -17.429 1.00 35.04 H new ATOM 0 HB2 ALA A 55 24.254 -10.164 -18.717 1.00 35.04 H new ATOM 0 HB3 ALA A 55 22.803 -10.802 -17.908 1.00 35.04 H new ATOM 63 N GLU A 56 22.890 -11.813 -15.270 1.00 30.76 N ATOM 64 CA GLU A 56 22.143 -11.956 -14.027 1.00 28.35 C ATOM 65 C GLU A 56 23.057 -12.455 -12.915 1.00 28.25 C ATOM 66 O GLU A 56 23.023 -11.952 -11.792 1.00 28.21 O ATOM 67 CB GLU A 56 20.973 -12.924 -14.217 1.00 27.38 C ATOM 68 CG GLU A 56 20.203 -13.205 -12.937 1.00 26.55 C ATOM 69 CD GLU A 56 20.340 -14.642 -12.479 1.00 26.26 C ATOM 70 OE1 GLU A 56 19.968 -15.550 -13.253 1.00 27.38 O ATOM 71 OE2 GLU A 56 20.822 -14.862 -11.347 1.00 25.02 O ATOM 0 H GLU A 56 22.576 -12.424 -16.024 1.00 30.76 H new ATOM 0 HA GLU A 56 21.749 -10.979 -13.747 1.00 28.35 H new ATOM 0 HB2 GLU A 56 20.289 -12.513 -14.960 1.00 27.38 H new ATOM 0 HB3 GLU A 56 21.351 -13.864 -14.618 1.00 27.38 H new ATOM 0 HG2 GLU A 56 20.560 -12.541 -12.150 1.00 26.55 H new ATOM 0 HG3 GLU A 56 19.149 -12.976 -13.094 1.00 26.55 H new ATOM 78 N ARG A 57 23.881 -13.444 -13.243 1.00 28.43 N ATOM 79 CA ARG A 57 24.816 -14.010 -12.283 1.00 28.68 C ATOM 80 C ARG A 57 25.889 -12.990 -11.924 1.00 27.07 C ATOM 81 O ARG A 57 26.254 -12.835 -10.758 1.00 26.66 O ATOM 82 CB ARG A 57 25.462 -15.274 -12.851 1.00 30.63 C ATOM 83 CG ARG A 57 26.473 -15.914 -11.914 1.00 31.63 C ATOM 84 CD ARG A 57 27.253 -17.018 -12.607 1.00 33.75 C ATOM 85 NE ARG A 57 26.450 -18.223 -12.791 1.00 35.55 N ATOM 86 CZ ARG A 57 26.050 -19.002 -11.791 1.00 35.66 C ATOM 87 NH1 ARG A 57 26.385 -18.704 -10.542 1.00 34.05 N ATOM 88 NH2 ARG A 57 25.317 -20.078 -12.038 1.00 37.45 N ATOM 0 H ARG A 57 23.919 -13.870 -14.169 1.00 28.43 H new ATOM 0 HA ARG A 57 24.266 -14.273 -11.379 1.00 28.68 H new ATOM 0 HB2 ARG A 57 24.681 -15.999 -13.080 1.00 30.63 H new ATOM 0 HB3 ARG A 57 25.955 -15.029 -13.792 1.00 30.63 H new ATOM 0 HG2 ARG A 57 27.163 -15.154 -11.548 1.00 31.63 H new ATOM 0 HG3 ARG A 57 25.958 -16.322 -11.045 1.00 31.63 H new ATOM 0 HD2 ARG A 57 27.600 -16.662 -13.577 1.00 33.75 H new ATOM 0 HD3 ARG A 57 28.139 -17.259 -12.020 1.00 33.75 H new ATOM 0 HE ARG A 57 26.181 -18.482 -13.740 1.00 35.55 H new ATOM 0 HH11 ARG A 57 26.950 -17.877 -10.349 1.00 34.05 H new ATOM 0 HH12 ARG A 57 26.078 -19.302 -9.775 1.00 34.05 H new ATOM 0 HH21 ARG A 57 25.059 -20.310 -12.997 1.00 37.45 H new ATOM 0 HH22 ARG A 57 25.011 -20.674 -11.269 1.00 37.45 H new ATOM 102 N LEU A 58 26.386 -12.292 -12.939 1.00 26.40 N ATOM 103 CA LEU A 58 27.413 -11.277 -12.742 1.00 24.96 C ATOM 104 C LEU A 58 26.932 -10.208 -11.770 1.00 22.79 C ATOM 105 O LEU A 58 27.637 -9.846 -10.827 1.00 23.08 O ATOM 106 CB LEU A 58 27.787 -10.632 -14.078 1.00 24.86 C ATOM 107 CG LEU A 58 28.910 -11.332 -14.845 1.00 27.03 C ATOM 108 CD1 LEU A 58 29.229 -10.580 -16.128 1.00 26.79 C ATOM 109 CD2 LEU A 58 30.151 -11.452 -13.975 1.00 27.61 C ATOM 0 H LEU A 58 26.093 -12.411 -13.909 1.00 26.40 H new ATOM 0 HA LEU A 58 28.294 -11.762 -12.322 1.00 24.96 H new ATOM 0 HB2 LEU A 58 26.900 -10.603 -14.710 1.00 24.86 H new ATOM 0 HB3 LEU A 58 28.082 -9.599 -13.895 1.00 24.86 H new ATOM 0 HG LEU A 58 28.575 -12.335 -15.109 1.00 27.03 H new ATOM 0 HD11 LEU A 58 30.030 -11.092 -16.661 1.00 26.79 H new ATOM 0 HD12 LEU A 58 28.340 -10.542 -16.758 1.00 26.79 H new ATOM 0 HD13 LEU A 58 29.545 -9.565 -15.886 1.00 26.79 H new ATOM 0 HD21 LEU A 58 30.941 -11.952 -14.535 1.00 27.61 H new ATOM 0 HD22 LEU A 58 30.488 -10.457 -13.682 1.00 27.61 H new ATOM 0 HD23 LEU A 58 29.915 -12.032 -13.083 1.00 27.61 H new ATOM 121 N ALA A 59 25.723 -9.706 -12.004 1.00 20.66 N ATOM 122 CA ALA A 59 25.141 -8.679 -11.150 1.00 18.54 C ATOM 123 C ALA A 59 25.192 -9.100 -9.687 1.00 18.87 C ATOM 124 O ALA A 59 25.497 -8.293 -8.808 1.00 19.55 O ATOM 125 CB ALA A 59 23.708 -8.392 -11.572 1.00 17.43 C ATOM 0 H ALA A 59 25.127 -9.995 -12.780 1.00 20.66 H new ATOM 0 HA ALA A 59 25.727 -7.767 -11.262 1.00 18.54 H new ATOM 0 HB1 ALA A 59 23.285 -7.623 -10.925 1.00 17.43 H new ATOM 0 HB2 ALA A 59 23.696 -8.045 -12.605 1.00 17.43 H new ATOM 0 HB3 ALA A 59 23.115 -9.303 -11.488 1.00 17.43 H new ATOM 131 N ASP A 60 24.894 -10.369 -9.433 1.00 18.44 N ATOM 132 CA ASP A 60 24.909 -10.899 -8.075 1.00 18.67 C ATOM 133 C ASP A 60 26.341 -11.047 -7.573 1.00 19.29 C ATOM 134 O ASP A 60 26.608 -10.909 -6.379 1.00 19.12 O ATOM 135 CB ASP A 60 24.195 -12.251 -8.023 1.00 18.26 C ATOM 136 CG ASP A 60 24.083 -12.792 -6.610 1.00 18.20 C ATOM 137 OD1 ASP A 60 23.240 -12.280 -5.844 1.00 18.24 O ATOM 138 OD2 ASP A 60 24.839 -13.727 -6.271 1.00 18.34 O ATOM 0 H ASP A 60 24.639 -11.049 -10.149 1.00 18.44 H new ATOM 0 HA ASP A 60 24.383 -10.197 -7.428 1.00 18.67 H new ATOM 0 HB2 ASP A 60 23.197 -12.149 -8.450 1.00 18.26 H new ATOM 0 HB3 ASP A 60 24.735 -12.968 -8.642 1.00 18.26 H new ATOM 143 N GLU A 61 27.258 -11.327 -8.493 1.00 20.06 N ATOM 144 CA GLU A 61 28.664 -11.489 -8.146 1.00 20.70 C ATOM 145 C GLU A 61 29.279 -10.154 -7.748 1.00 21.02 C ATOM 146 O GLU A 61 29.897 -10.032 -6.690 1.00 21.57 O ATOM 147 CB GLU A 61 29.436 -12.090 -9.323 1.00 20.68 C ATOM 148 CG GLU A 61 30.127 -13.403 -8.991 1.00 20.88 C ATOM 149 CD GLU A 61 31.419 -13.592 -9.761 1.00 20.82 C ATOM 150 OE1 GLU A 61 31.465 -13.202 -10.947 1.00 20.96 O ATOM 151 OE2 GLU A 61 32.383 -14.130 -9.179 1.00 20.90 O ATOM 0 H GLU A 61 27.052 -11.446 -9.485 1.00 20.06 H new ATOM 0 HA GLU A 61 28.729 -12.168 -7.296 1.00 20.70 H new ATOM 0 HB2 GLU A 61 28.749 -12.251 -10.153 1.00 20.68 H new ATOM 0 HB3 GLU A 61 30.183 -11.372 -9.662 1.00 20.68 H new ATOM 0 HG2 GLU A 61 30.337 -13.439 -7.922 1.00 20.88 H new ATOM 0 HG3 GLU A 61 29.452 -14.230 -9.211 1.00 20.88 H new ATOM 158 N GLN A 62 29.102 -9.155 -8.602 1.00 20.67 N ATOM 159 CA GLN A 62 29.633 -7.823 -8.344 1.00 20.92 C ATOM 160 C GLN A 62 29.087 -7.271 -7.032 1.00 19.35 C ATOM 161 O GLN A 62 29.830 -6.710 -6.226 1.00 20.19 O ATOM 162 CB GLN A 62 29.283 -6.878 -9.495 1.00 20.62 C ATOM 163 CG GLN A 62 29.717 -7.392 -10.858 1.00 23.25 C ATOM 164 CD GLN A 62 31.194 -7.730 -10.910 1.00 24.01 C ATOM 165 OE1 GLN A 62 31.966 -7.324 -10.041 1.00 24.26 O ATOM 166 NE2 GLN A 62 31.595 -8.478 -11.931 1.00 24.39 N ATOM 0 H GLN A 62 28.593 -9.242 -9.482 1.00 20.67 H new ATOM 0 HA GLN A 62 30.718 -7.898 -8.265 1.00 20.92 H new ATOM 0 HB2 GLN A 62 28.205 -6.714 -9.504 1.00 20.62 H new ATOM 0 HB3 GLN A 62 29.751 -5.910 -9.315 1.00 20.62 H new ATOM 0 HG2 GLN A 62 29.136 -8.279 -11.110 1.00 23.25 H new ATOM 0 HG3 GLN A 62 29.493 -6.639 -11.614 1.00 23.25 H new ATOM 0 HE21 GLN A 62 30.921 -8.793 -12.629 1.00 24.39 H new ATOM 0 HE22 GLN A 62 32.577 -8.738 -12.018 1.00 24.39 H new ATOM 175 N SER A 63 27.784 -7.435 -6.825 1.00 17.24 N ATOM 176 CA SER A 63 27.138 -6.956 -5.609 1.00 15.88 C ATOM 177 C SER A 63 27.701 -7.666 -4.382 1.00 15.97 C ATOM 178 O SER A 63 27.835 -7.069 -3.314 1.00 14.33 O ATOM 179 CB SER A 63 25.627 -7.175 -5.691 1.00 16.42 C ATOM 180 OG SER A 63 25.323 -8.428 -6.279 1.00 18.32 O ATOM 0 H SER A 63 27.156 -7.896 -7.483 1.00 17.24 H new ATOM 0 HA SER A 63 27.338 -5.889 -5.514 1.00 15.88 H new ATOM 0 HB2 SER A 63 25.195 -7.125 -4.692 1.00 16.42 H new ATOM 0 HB3 SER A 63 25.172 -6.376 -6.276 1.00 16.42 H new ATOM 0 HG SER A 63 25.127 -8.304 -7.231 1.00 18.32 H new ATOM 186 N GLU A 64 28.031 -8.943 -4.546 1.00 18.13 N ATOM 187 CA GLU A 64 28.581 -9.736 -3.453 1.00 18.77 C ATOM 188 C GLU A 64 29.852 -9.095 -2.908 1.00 17.54 C ATOM 189 O GLU A 64 30.061 -9.041 -1.696 1.00 17.36 O ATOM 190 CB GLU A 64 28.875 -11.162 -3.926 1.00 21.49 C ATOM 191 CG GLU A 64 29.222 -12.119 -2.797 1.00 22.73 C ATOM 192 CD GLU A 64 30.455 -12.949 -3.096 1.00 25.46 C ATOM 193 OE1 GLU A 64 30.511 -13.560 -4.184 1.00 26.33 O ATOM 194 OE2 GLU A 64 31.365 -12.988 -2.242 1.00 26.79 O ATOM 0 H GLU A 64 27.927 -9.450 -5.425 1.00 18.13 H new ATOM 0 HA GLU A 64 27.841 -9.774 -2.653 1.00 18.77 H new ATOM 0 HB2 GLU A 64 28.006 -11.545 -4.461 1.00 21.49 H new ATOM 0 HB3 GLU A 64 29.701 -11.137 -4.637 1.00 21.49 H new ATOM 0 HG2 GLU A 64 29.384 -11.551 -1.881 1.00 22.73 H new ATOM 0 HG3 GLU A 64 28.377 -12.783 -2.615 1.00 22.73 H new ATOM 201 N LEU A 65 30.698 -8.609 -3.809 1.00 16.75 N ATOM 202 CA LEU A 65 31.946 -7.968 -3.415 1.00 15.65 C ATOM 203 C LEU A 65 31.669 -6.693 -2.627 1.00 14.27 C ATOM 204 O LEU A 65 32.360 -6.390 -1.654 1.00 14.40 O ATOM 205 CB LEU A 65 32.794 -7.647 -4.647 1.00 15.99 C ATOM 206 CG LEU A 65 33.071 -8.835 -5.571 1.00 16.72 C ATOM 207 CD1 LEU A 65 32.975 -8.410 -7.027 1.00 15.26 C ATOM 208 CD2 LEU A 65 34.440 -9.429 -5.276 1.00 18.80 C ATOM 0 H LEU A 65 30.542 -8.647 -4.816 1.00 16.75 H new ATOM 0 HA LEU A 65 32.498 -8.659 -2.778 1.00 15.65 H new ATOM 0 HB2 LEU A 65 32.292 -6.869 -5.222 1.00 15.99 H new ATOM 0 HB3 LEU A 65 33.747 -7.234 -4.316 1.00 15.99 H new ATOM 0 HG LEU A 65 32.317 -9.600 -5.387 1.00 16.72 H new ATOM 0 HD11 LEU A 65 33.175 -9.267 -7.670 1.00 15.26 H new ATOM 0 HD12 LEU A 65 31.974 -8.030 -7.230 1.00 15.26 H new ATOM 0 HD13 LEU A 65 33.707 -7.628 -7.227 1.00 15.26 H new ATOM 0 HD21 LEU A 65 34.622 -10.273 -5.942 1.00 18.80 H new ATOM 0 HD22 LEU A 65 35.207 -8.671 -5.434 1.00 18.80 H new ATOM 0 HD23 LEU A 65 34.474 -9.769 -4.241 1.00 18.80 H new ATOM 220 N VAL A 66 30.652 -5.950 -3.052 1.00 13.35 N ATOM 221 CA VAL A 66 30.281 -4.711 -2.385 1.00 12.21 C ATOM 222 C VAL A 66 29.684 -4.988 -1.010 1.00 10.20 C ATOM 223 O VAL A 66 30.044 -4.343 -0.026 1.00 9.91 O ATOM 224 CB VAL A 66 29.270 -3.903 -3.220 1.00 12.93 C ATOM 225 CG1 VAL A 66 28.943 -2.585 -2.536 1.00 12.00 C ATOM 226 CG2 VAL A 66 29.809 -3.664 -4.623 1.00 15.12 C ATOM 0 H VAL A 66 30.071 -6.186 -3.856 1.00 13.35 H new ATOM 0 HA VAL A 66 31.194 -4.126 -2.272 1.00 12.21 H new ATOM 0 HB VAL A 66 28.349 -4.481 -3.301 1.00 12.93 H new ATOM 0 HG11 VAL A 66 28.227 -2.029 -3.141 1.00 12.00 H new ATOM 0 HG12 VAL A 66 28.512 -2.782 -1.554 1.00 12.00 H new ATOM 0 HG13 VAL A 66 29.855 -1.998 -2.422 1.00 12.00 H new ATOM 0 HG21 VAL A 66 29.082 -3.092 -5.199 1.00 15.12 H new ATOM 0 HG22 VAL A 66 30.744 -3.107 -4.564 1.00 15.12 H new ATOM 0 HG23 VAL A 66 29.987 -4.622 -5.112 1.00 15.12 H new ATOM 236 N LYS A 67 28.774 -5.956 -0.947 1.00 9.34 N ATOM 237 CA LYS A 67 28.136 -6.318 0.312 1.00 7.44 C ATOM 238 C LYS A 67 29.182 -6.758 1.329 1.00 7.44 C ATOM 239 O LYS A 67 29.294 -6.179 2.409 1.00 7.30 O ATOM 240 CB LYS A 67 27.111 -7.433 0.088 1.00 8.13 C ATOM 241 CG LYS A 67 26.552 -8.023 1.375 1.00 8.69 C ATOM 242 CD LYS A 67 25.848 -9.346 1.121 1.00 9.18 C ATOM 243 CE LYS A 67 25.910 -10.252 2.340 1.00 9.39 C ATOM 244 NZ LYS A 67 27.189 -11.013 2.402 1.00 9.56 N ATOM 0 H LYS A 67 28.464 -6.501 -1.751 1.00 9.34 H new ATOM 0 HA LYS A 67 27.618 -5.442 0.703 1.00 7.44 H new ATOM 0 HB2 LYS A 67 26.287 -7.042 -0.509 1.00 8.13 H new ATOM 0 HB3 LYS A 67 27.576 -8.229 -0.494 1.00 8.13 H new ATOM 0 HG2 LYS A 67 27.361 -8.172 2.090 1.00 8.69 H new ATOM 0 HG3 LYS A 67 25.853 -7.318 1.826 1.00 8.69 H new ATOM 0 HD2 LYS A 67 24.807 -9.161 0.856 1.00 9.18 H new ATOM 0 HD3 LYS A 67 26.309 -9.847 0.270 1.00 9.18 H new ATOM 0 HE2 LYS A 67 25.800 -9.653 3.244 1.00 9.39 H new ATOM 0 HE3 LYS A 67 25.073 -10.950 2.317 1.00 9.39 H new ATOM 0 HZ1 LYS A 67 27.192 -11.619 3.247 1.00 9.56 H new ATOM 0 HZ2 LYS A 67 27.283 -11.605 1.552 1.00 9.56 H new ATOM 0 HZ3 LYS A 67 27.987 -10.348 2.450 1.00 9.56 H new ATOM 258 N LYS A 68 29.954 -7.778 0.971 1.00 8.47 N ATOM 259 CA LYS A 68 30.999 -8.286 1.851 1.00 9.45 C ATOM 260 C LYS A 68 31.967 -7.168 2.219 1.00 9.81 C ATOM 261 O LYS A 68 32.531 -7.153 3.313 1.00 11.77 O ATOM 262 CB LYS A 68 31.753 -9.435 1.179 1.00 11.67 C ATOM 263 CG LYS A 68 32.539 -9.009 -0.050 1.00 11.91 C ATOM 264 CD LYS A 68 33.900 -8.449 0.327 1.00 11.54 C ATOM 265 CE LYS A 68 35.026 -9.237 -0.325 1.00 12.54 C ATOM 266 NZ LYS A 68 36.313 -9.074 0.405 1.00 13.59 N ATOM 0 H LYS A 68 29.876 -8.268 0.080 1.00 8.47 H new ATOM 0 HA LYS A 68 30.532 -8.662 2.761 1.00 9.45 H new ATOM 0 HB2 LYS A 68 32.437 -9.881 1.901 1.00 11.67 H new ATOM 0 HB3 LYS A 68 31.040 -10.209 0.894 1.00 11.67 H new ATOM 0 HG2 LYS A 68 32.667 -9.863 -0.715 1.00 11.91 H new ATOM 0 HG3 LYS A 68 31.975 -8.257 -0.602 1.00 11.91 H new ATOM 0 HD2 LYS A 68 33.962 -7.404 0.023 1.00 11.54 H new ATOM 0 HD3 LYS A 68 34.017 -8.473 1.410 1.00 11.54 H new ATOM 0 HE2 LYS A 68 34.758 -10.293 -0.358 1.00 12.54 H new ATOM 0 HE3 LYS A 68 35.150 -8.908 -1.357 1.00 12.54 H new ATOM 0 HZ1 LYS A 68 37.054 -9.627 -0.071 1.00 13.59 H new ATOM 0 HZ2 LYS A 68 36.582 -8.069 0.414 1.00 13.59 H new ATOM 0 HZ3 LYS A 68 36.203 -9.412 1.382 1.00 13.59 H new ATOM 280 N MET A 69 32.146 -6.226 1.297 1.00 8.10 N ATOM 281 CA MET A 69 33.035 -5.095 1.521 1.00 8.35 C ATOM 282 C MET A 69 32.452 -4.159 2.574 1.00 6.92 C ATOM 283 O MET A 69 33.163 -3.678 3.457 1.00 6.46 O ATOM 284 CB MET A 69 33.266 -4.335 0.213 1.00 8.61 C ATOM 285 CG MET A 69 34.037 -3.037 0.389 1.00 7.78 C ATOM 286 SD MET A 69 32.962 -1.637 0.759 1.00 7.39 S ATOM 287 CE MET A 69 32.364 -1.229 -0.879 1.00 7.81 C ATOM 0 H MET A 69 31.685 -6.226 0.387 1.00 8.10 H new ATOM 0 HA MET A 69 33.991 -5.474 1.882 1.00 8.35 H new ATOM 0 HB2 MET A 69 33.808 -4.978 -0.480 1.00 8.61 H new ATOM 0 HB3 MET A 69 32.301 -4.115 -0.245 1.00 8.61 H new ATOM 0 HG2 MET A 69 34.763 -3.156 1.194 1.00 7.78 H new ATOM 0 HG3 MET A 69 34.601 -2.827 -0.520 1.00 7.78 H new ATOM 0 HE1 MET A 69 31.394 -0.738 -0.800 1.00 7.81 H new ATOM 0 HE2 MET A 69 33.071 -0.559 -1.368 1.00 7.81 H new ATOM 0 HE3 MET A 69 32.262 -2.141 -1.467 1.00 7.81 H new ATOM 297 N VAL A 70 31.149 -3.912 2.478 1.00 6.94 N ATOM 298 CA VAL A 70 30.461 -3.042 3.421 1.00 7.31 C ATOM 299 C VAL A 70 30.380 -3.699 4.796 1.00 7.70 C ATOM 300 O VAL A 70 30.429 -3.020 5.822 1.00 7.57 O ATOM 301 CB VAL A 70 29.042 -2.686 2.915 1.00 7.68 C ATOM 302 CG1 VAL A 70 28.197 -2.035 4.005 1.00 9.23 C ATOM 303 CG2 VAL A 70 29.137 -1.773 1.705 1.00 5.59 C ATOM 0 H VAL A 70 30.548 -4.305 1.753 1.00 6.94 H new ATOM 0 HA VAL A 70 31.036 -2.120 3.506 1.00 7.31 H new ATOM 0 HB VAL A 70 28.547 -3.615 2.630 1.00 7.68 H new ATOM 0 HG11 VAL A 70 27.209 -1.801 3.608 1.00 9.23 H new ATOM 0 HG12 VAL A 70 28.097 -2.721 4.846 1.00 9.23 H new ATOM 0 HG13 VAL A 70 28.680 -1.117 4.340 1.00 9.23 H new ATOM 0 HG21 VAL A 70 28.134 -1.527 1.355 1.00 5.59 H new ATOM 0 HG22 VAL A 70 29.660 -0.857 1.980 1.00 5.59 H new ATOM 0 HG23 VAL A 70 29.685 -2.279 0.910 1.00 5.59 H new ATOM 313 N PHE A 71 30.264 -5.022 4.811 1.00 8.57 N ATOM 314 CA PHE A 71 30.186 -5.758 6.064 1.00 9.15 C ATOM 315 C PHE A 71 31.382 -5.426 6.949 1.00 9.45 C ATOM 316 O PHE A 71 31.221 -4.952 8.072 1.00 9.33 O ATOM 317 CB PHE A 71 30.128 -7.264 5.800 1.00 9.99 C ATOM 318 CG PHE A 71 30.241 -8.096 7.045 1.00 11.20 C ATOM 319 CD1 PHE A 71 29.539 -7.739 8.206 1.00 13.32 C ATOM 320 CD2 PHE A 71 31.054 -9.237 7.070 1.00 10.45 C ATOM 321 CE1 PHE A 71 29.645 -8.508 9.369 1.00 14.77 C ATOM 322 CE2 PHE A 71 31.165 -10.009 8.230 1.00 11.97 C ATOM 323 CZ PHE A 71 30.460 -9.644 9.380 1.00 14.15 C ATOM 0 H PHE A 71 30.222 -5.603 3.974 1.00 8.57 H new ATOM 0 HA PHE A 71 29.273 -5.461 6.581 1.00 9.15 H new ATOM 0 HB2 PHE A 71 29.190 -7.501 5.298 1.00 9.99 H new ATOM 0 HB3 PHE A 71 30.932 -7.536 5.117 1.00 9.99 H new ATOM 0 HD1 PHE A 71 28.910 -6.861 8.201 1.00 13.32 H new ATOM 0 HD2 PHE A 71 31.601 -9.523 6.184 1.00 10.45 H new ATOM 0 HE1 PHE A 71 29.099 -8.225 10.257 1.00 14.77 H new ATOM 0 HE2 PHE A 71 31.795 -10.886 8.237 1.00 11.97 H new ATOM 0 HZ PHE A 71 30.545 -10.239 10.277 1.00 14.15 H new ATOM 333 N ASP A 72 32.581 -5.676 6.433 1.00 9.89 N ATOM 334 CA ASP A 72 33.802 -5.399 7.178 1.00 10.25 C ATOM 335 C ASP A 72 33.810 -3.962 7.685 1.00 9.98 C ATOM 336 O ASP A 72 34.037 -3.714 8.870 1.00 11.12 O ATOM 337 CB ASP A 72 35.031 -5.649 6.302 1.00 10.60 C ATOM 338 CG ASP A 72 36.329 -5.472 7.065 1.00 11.11 C ATOM 339 OD1 ASP A 72 36.458 -6.054 8.162 1.00 13.30 O ATOM 340 OD2 ASP A 72 37.217 -4.747 6.567 1.00 9.67 O ATOM 0 H ASP A 72 32.732 -6.069 5.504 1.00 9.89 H new ATOM 0 HA ASP A 72 33.836 -6.072 8.035 1.00 10.25 H new ATOM 0 HB2 ASP A 72 34.986 -6.660 5.897 1.00 10.60 H new ATOM 0 HB3 ASP A 72 35.015 -4.965 5.454 1.00 10.60 H new ATOM 345 N THR A 73 33.556 -3.017 6.785 1.00 8.78 N ATOM 346 CA THR A 73 33.530 -1.607 7.153 1.00 8.42 C ATOM 347 C THR A 73 32.512 -1.369 8.262 1.00 9.61 C ATOM 348 O THR A 73 32.877 -1.105 9.408 1.00 10.79 O ATOM 349 CB THR A 73 33.197 -0.740 5.932 1.00 6.27 C ATOM 350 OG1 THR A 73 34.279 -0.728 5.017 1.00 5.07 O ATOM 351 CG2 THR A 73 32.874 0.702 6.277 1.00 5.27 C ATOM 0 H THR A 73 33.366 -3.202 5.800 1.00 8.78 H new ATOM 0 HA THR A 73 34.518 -1.327 7.518 1.00 8.42 H new ATOM 0 HB THR A 73 32.308 -1.196 5.495 1.00 6.27 H new ATOM 0 HG1 THR A 73 33.949 -0.936 4.118 1.00 5.07 H new ATOM 0 HG21 THR A 73 32.649 1.253 5.364 1.00 5.27 H new ATOM 0 HG22 THR A 73 32.010 0.733 6.941 1.00 5.27 H new ATOM 0 HG23 THR A 73 33.730 1.158 6.774 1.00 5.27 H new ATOM 359 N LEU A 74 31.232 -1.465 7.914 1.00 9.63 N ATOM 360 CA LEU A 74 30.162 -1.258 8.882 1.00 11.23 C ATOM 361 C LEU A 74 30.399 -2.082 10.144 1.00 11.55 C ATOM 362 O LEU A 74 30.122 -1.629 11.253 1.00 12.22 O ATOM 363 CB LEU A 74 28.809 -1.615 8.265 1.00 11.63 C ATOM 364 CG LEU A 74 28.316 -0.657 7.176 1.00 10.64 C ATOM 365 CD1 LEU A 74 26.826 -0.842 6.948 1.00 13.03 C ATOM 366 CD2 LEU A 74 28.627 0.788 7.545 1.00 9.05 C ATOM 0 H LEU A 74 30.912 -1.684 6.971 1.00 9.63 H new ATOM 0 HA LEU A 74 30.157 -0.204 9.159 1.00 11.23 H new ATOM 0 HB2 LEU A 74 28.874 -2.618 7.842 1.00 11.63 H new ATOM 0 HB3 LEU A 74 28.064 -1.651 9.059 1.00 11.63 H new ATOM 0 HG LEU A 74 28.841 -0.889 6.250 1.00 10.64 H new ATOM 0 HD11 LEU A 74 26.489 -0.155 6.172 1.00 13.03 H new ATOM 0 HD12 LEU A 74 26.630 -1.868 6.635 1.00 13.03 H new ATOM 0 HD13 LEU A 74 26.288 -0.636 7.873 1.00 13.03 H new ATOM 0 HD21 LEU A 74 28.268 1.450 6.757 1.00 9.05 H new ATOM 0 HD22 LEU A 74 28.132 1.039 8.483 1.00 9.05 H new ATOM 0 HD23 LEU A 74 29.704 0.911 7.659 1.00 9.05 H new ATOM 378 N LYS A 75 30.922 -3.288 9.965 1.00 11.16 N ATOM 379 CA LYS A 75 31.208 -4.167 11.091 1.00 11.50 C ATOM 380 C LYS A 75 32.104 -3.462 12.099 1.00 12.64 C ATOM 381 O LYS A 75 31.679 -3.133 13.206 1.00 13.99 O ATOM 382 CB LYS A 75 31.886 -5.450 10.608 1.00 9.44 C ATOM 383 CG LYS A 75 32.347 -6.359 11.735 1.00 10.14 C ATOM 384 CD LYS A 75 32.553 -7.786 11.252 1.00 8.85 C ATOM 385 CE LYS A 75 34.030 -8.126 11.134 1.00 6.99 C ATOM 386 NZ LYS A 75 34.337 -8.833 9.860 1.00 5.77 N ATOM 0 H LYS A 75 31.156 -3.679 9.053 1.00 11.16 H new ATOM 0 HA LYS A 75 30.264 -4.424 11.572 1.00 11.50 H new ATOM 0 HB2 LYS A 75 31.193 -5.999 9.971 1.00 9.44 H new ATOM 0 HB3 LYS A 75 32.745 -5.186 9.991 1.00 9.44 H new ATOM 0 HG2 LYS A 75 33.278 -5.978 12.153 1.00 10.14 H new ATOM 0 HG3 LYS A 75 31.609 -6.348 12.537 1.00 10.14 H new ATOM 0 HD2 LYS A 75 32.073 -8.478 11.944 1.00 8.85 H new ATOM 0 HD3 LYS A 75 32.070 -7.917 10.284 1.00 8.85 H new ATOM 0 HE2 LYS A 75 34.619 -7.211 11.192 1.00 6.99 H new ATOM 0 HE3 LYS A 75 34.327 -8.750 11.976 1.00 6.99 H new ATOM 0 HZ1 LYS A 75 35.354 -9.047 9.818 1.00 5.77 H new ATOM 0 HZ2 LYS A 75 33.795 -9.719 9.815 1.00 5.77 H new ATOM 0 HZ3 LYS A 75 34.077 -8.227 9.056 1.00 5.77 H new ATOM 400 N ASP A 76 33.346 -3.230 11.696 1.00 12.46 N ATOM 401 CA ASP A 76 34.316 -2.560 12.551 1.00 13.97 C ATOM 402 C ASP A 76 33.865 -1.139 12.882 1.00 15.67 C ATOM 403 O ASP A 76 34.259 -0.575 13.903 1.00 17.42 O ATOM 404 CB ASP A 76 35.684 -2.527 11.867 1.00 13.40 C ATOM 405 CG ASP A 76 36.404 -3.858 11.952 1.00 13.83 C ATOM 406 OD1 ASP A 76 35.892 -4.847 11.385 1.00 14.86 O ATOM 407 OD2 ASP A 76 37.479 -3.913 12.586 1.00 13.55 O ATOM 0 H ASP A 76 33.706 -3.497 10.780 1.00 12.46 H new ATOM 0 HA ASP A 76 34.393 -3.121 13.483 1.00 13.97 H new ATOM 0 HB2 ASP A 76 35.557 -2.252 10.820 1.00 13.40 H new ATOM 0 HB3 ASP A 76 36.299 -1.754 12.328 1.00 13.40 H new ATOM 412 N LEU A 77 33.039 -0.565 12.012 1.00 15.32 N ATOM 413 CA LEU A 77 32.538 0.788 12.212 1.00 16.97 C ATOM 414 C LEU A 77 31.523 0.826 13.349 1.00 19.41 C ATOM 415 O LEU A 77 31.767 1.437 14.390 1.00 21.22 O ATOM 416 CB LEU A 77 31.918 1.312 10.909 1.00 16.05 C ATOM 417 CG LEU A 77 30.940 2.487 11.046 1.00 16.25 C ATOM 418 CD1 LEU A 77 31.407 3.467 12.113 1.00 15.76 C ATOM 419 CD2 LEU A 77 30.779 3.195 9.709 1.00 17.00 C ATOM 0 H LEU A 77 32.703 -1.017 11.162 1.00 15.32 H new ATOM 0 HA LEU A 77 33.371 1.434 12.488 1.00 16.97 H new ATOM 0 HB2 LEU A 77 32.726 1.615 10.243 1.00 16.05 H new ATOM 0 HB3 LEU A 77 31.397 0.488 10.422 1.00 16.05 H new ATOM 0 HG LEU A 77 29.973 2.090 11.354 1.00 16.25 H new ATOM 0 HD11 LEU A 77 30.695 4.289 12.188 1.00 15.76 H new ATOM 0 HD12 LEU A 77 31.473 2.955 13.073 1.00 15.76 H new ATOM 0 HD13 LEU A 77 32.387 3.859 11.843 1.00 15.76 H new ATOM 0 HD21 LEU A 77 30.083 4.027 9.819 1.00 17.00 H new ATOM 0 HD22 LEU A 77 31.747 3.573 9.379 1.00 17.00 H new ATOM 0 HD23 LEU A 77 30.392 2.493 8.970 1.00 17.00 H new ATOM 431 N TYR A 78 30.387 0.166 13.153 1.00 19.55 N ATOM 432 CA TYR A 78 29.348 0.129 14.174 1.00 21.88 C ATOM 433 C TYR A 78 29.925 -0.326 15.509 1.00 22.69 C ATOM 434 O TYR A 78 29.474 0.105 16.571 1.00 23.25 O ATOM 435 CB TYR A 78 28.210 -0.802 13.752 1.00 23.48 C ATOM 436 CG TYR A 78 27.418 -0.297 12.566 1.00 23.78 C ATOM 437 CD1 TYR A 78 27.197 1.078 12.376 1.00 24.30 C ATOM 438 CD2 TYR A 78 26.881 -1.193 11.626 1.00 23.78 C ATOM 439 CE1 TYR A 78 26.464 1.547 11.282 1.00 25.00 C ATOM 440 CE2 TYR A 78 26.148 -0.733 10.528 1.00 24.23 C ATOM 441 CZ TYR A 78 25.942 0.637 10.362 1.00 24.94 C ATOM 442 OH TYR A 78 25.219 1.094 9.285 1.00 25.78 O ATOM 0 H TYR A 78 30.163 -0.348 12.301 1.00 19.55 H new ATOM 0 HA TYR A 78 28.950 1.137 14.289 1.00 21.88 H new ATOM 0 HB2 TYR A 78 28.624 -1.781 13.511 1.00 23.48 H new ATOM 0 HB3 TYR A 78 27.534 -0.941 14.596 1.00 23.48 H new ATOM 0 HD1 TYR A 78 27.600 1.784 13.087 1.00 24.30 H new ATOM 0 HD2 TYR A 78 27.037 -2.254 11.754 1.00 23.78 H new ATOM 0 HE1 TYR A 78 26.303 2.607 11.150 1.00 25.00 H new ATOM 0 HE2 TYR A 78 25.744 -1.434 9.813 1.00 24.23 H new ATOM 0 HH TYR A 78 24.266 0.922 9.434 1.00 25.78 H new ATOM 452 N LYS A 79 30.929 -1.195 15.448 1.00 22.83 N ATOM 453 CA LYS A 79 31.570 -1.702 16.654 1.00 23.72 C ATOM 454 C LYS A 79 32.147 -0.555 17.477 1.00 23.86 C ATOM 455 O LYS A 79 32.139 -0.598 18.707 1.00 23.66 O ATOM 456 CB LYS A 79 32.677 -2.696 16.294 1.00 22.07 C ATOM 457 CG LYS A 79 32.984 -3.690 17.404 1.00 23.63 C ATOM 458 CD LYS A 79 34.224 -4.511 17.092 1.00 23.49 C ATOM 459 CE LYS A 79 34.046 -5.331 15.824 1.00 22.57 C ATOM 460 NZ LYS A 79 34.722 -6.655 15.920 1.00 23.31 N ATOM 0 H LYS A 79 31.315 -1.562 14.578 1.00 22.83 H new ATOM 0 HA LYS A 79 30.816 -2.216 17.250 1.00 23.72 H new ATOM 0 HB2 LYS A 79 32.386 -3.243 15.397 1.00 22.07 H new ATOM 0 HB3 LYS A 79 33.585 -2.144 16.050 1.00 22.07 H new ATOM 0 HG2 LYS A 79 33.128 -3.155 18.343 1.00 23.63 H new ATOM 0 HG3 LYS A 79 32.132 -4.355 17.543 1.00 23.63 H new ATOM 0 HD2 LYS A 79 35.082 -3.848 16.980 1.00 23.49 H new ATOM 0 HD3 LYS A 79 34.442 -5.175 17.928 1.00 23.49 H new ATOM 0 HE2 LYS A 79 32.983 -5.479 15.633 1.00 22.57 H new ATOM 0 HE3 LYS A 79 34.448 -4.779 14.975 1.00 22.57 H new ATOM 0 HZ1 LYS A 79 34.577 -7.184 15.036 1.00 23.31 H new ATOM 0 HZ2 LYS A 79 35.740 -6.514 16.077 1.00 23.31 H new ATOM 0 HZ3 LYS A 79 34.321 -7.193 16.715 1.00 23.31 H new ATOM 474 N LYS A 80 32.643 0.469 16.790 1.00 24.36 N ATOM 475 CA LYS A 80 33.218 1.627 17.463 1.00 24.86 C ATOM 476 C LYS A 80 32.131 2.444 18.156 1.00 27.68 C ATOM 477 O LYS A 80 32.383 3.101 19.166 1.00 28.59 O ATOM 478 CB LYS A 80 33.974 2.504 16.463 1.00 24.08 C ATOM 479 CG LYS A 80 34.653 3.704 17.102 1.00 24.37 C ATOM 480 CD LYS A 80 35.951 4.054 16.392 1.00 24.43 C ATOM 481 CE LYS A 80 35.908 5.459 15.814 1.00 25.69 C ATOM 482 NZ LYS A 80 36.863 5.626 14.684 1.00 25.75 N ATOM 0 H LYS A 80 32.658 0.520 15.771 1.00 24.36 H new ATOM 0 HA LYS A 80 33.917 1.268 18.218 1.00 24.86 H new ATOM 0 HB2 LYS A 80 34.725 1.899 15.956 1.00 24.08 H new ATOM 0 HB3 LYS A 80 33.279 2.854 15.700 1.00 24.08 H new ATOM 0 HG2 LYS A 80 33.980 4.561 17.075 1.00 24.37 H new ATOM 0 HG3 LYS A 80 34.857 3.492 18.151 1.00 24.37 H new ATOM 0 HD2 LYS A 80 36.783 3.972 17.091 1.00 24.43 H new ATOM 0 HD3 LYS A 80 36.135 3.336 15.593 1.00 24.43 H new ATOM 0 HE2 LYS A 80 34.897 5.679 15.470 1.00 25.69 H new ATOM 0 HE3 LYS A 80 36.142 6.180 16.597 1.00 25.69 H new ATOM 0 HZ1 LYS A 80 36.802 6.598 14.319 1.00 25.75 H new ATOM 0 HZ2 LYS A 80 37.831 5.441 15.017 1.00 25.75 H new ATOM 0 HZ3 LYS A 80 36.624 4.956 13.926 1.00 25.75 H new ATOM 496 N THR A 81 30.922 2.398 17.605 1.00 29.11 N ATOM 497 CA THR A 81 29.795 3.132 18.168 1.00 31.85 C ATOM 498 C THR A 81 29.334 2.503 19.479 1.00 32.85 C ATOM 499 O THR A 81 28.941 3.205 20.412 1.00 32.92 O ATOM 500 CB THR A 81 28.637 3.169 17.173 1.00 32.73 C ATOM 501 OG1 THR A 81 28.996 2.527 15.963 1.00 30.59 O ATOM 502 CG2 THR A 81 28.183 4.570 16.832 1.00 34.09 C ATOM 0 H THR A 81 30.698 1.859 16.768 1.00 29.11 H new ATOM 0 HA THR A 81 30.124 4.151 18.372 1.00 31.85 H new ATOM 0 HB THR A 81 27.816 2.650 17.668 1.00 32.73 H new ATOM 0 HG1 THR A 81 28.778 3.110 15.206 1.00 30.59 H new ATOM 0 HG21 THR A 81 27.358 4.522 16.121 1.00 34.09 H new ATOM 0 HG22 THR A 81 27.851 5.076 17.739 1.00 34.09 H new ATOM 0 HG23 THR A 81 29.012 5.124 16.390 1.00 34.09 H new ATOM 566 N ASP B 54 25.496 -6.011 18.834 1.00 34.01 N ATOM 567 CA ASP B 54 24.498 -5.279 18.065 1.00 32.21 C ATOM 568 C ASP B 54 25.126 -4.632 16.834 1.00 30.82 C ATOM 569 O ASP B 54 24.476 -4.485 15.799 1.00 30.17 O ATOM 570 CB ASP B 54 23.834 -4.211 18.936 1.00 33.08 C ATOM 571 CG ASP B 54 22.823 -4.801 19.900 1.00 33.24 C ATOM 572 OD1 ASP B 54 23.180 -5.752 20.627 1.00 33.80 O ATOM 573 OD2 ASP B 54 21.675 -4.311 19.928 1.00 32.95 O ATOM 0 HA ASP B 54 23.740 -5.988 17.733 1.00 32.21 H new ATOM 0 HB2 ASP B 54 24.600 -3.676 19.498 1.00 33.08 H new ATOM 0 HB3 ASP B 54 23.339 -3.480 18.297 1.00 33.08 H new ATOM 578 N ALA B 55 26.393 -4.249 16.953 1.00 30.47 N ATOM 579 CA ALA B 55 27.106 -3.621 15.848 1.00 29.25 C ATOM 580 C ALA B 55 27.228 -4.576 14.665 1.00 28.18 C ATOM 581 O ALA B 55 27.005 -4.192 13.518 1.00 26.85 O ATOM 582 CB ALA B 55 28.484 -3.161 16.301 1.00 29.82 C ATOM 0 H ALA B 55 26.946 -4.363 17.803 1.00 30.47 H new ATOM 0 HA ALA B 55 26.534 -2.751 15.525 1.00 29.25 H new ATOM 0 HB1 ALA B 55 29.005 -2.694 15.465 1.00 29.82 H new ATOM 0 HB2 ALA B 55 28.379 -2.440 17.111 1.00 29.82 H new ATOM 0 HB3 ALA B 55 29.057 -4.019 16.651 1.00 29.82 H new ATOM 588 N GLU B 56 27.579 -5.825 14.956 1.00 28.81 N ATOM 589 CA GLU B 56 27.727 -6.839 13.919 1.00 27.94 C ATOM 590 C GLU B 56 26.385 -7.132 13.256 1.00 27.36 C ATOM 591 O GLU B 56 26.276 -7.143 12.030 1.00 27.93 O ATOM 592 CB GLU B 56 28.304 -8.125 14.515 1.00 28.88 C ATOM 593 CG GLU B 56 29.458 -8.705 13.714 1.00 30.94 C ATOM 594 CD GLU B 56 30.565 -9.246 14.597 1.00 32.73 C ATOM 595 OE1 GLU B 56 30.721 -8.743 15.730 1.00 32.46 O ATOM 596 OE2 GLU B 56 31.277 -10.173 14.157 1.00 34.53 O ATOM 0 H GLU B 56 27.766 -6.159 15.902 1.00 28.81 H new ATOM 0 HA GLU B 56 28.413 -6.457 13.163 1.00 27.94 H new ATOM 0 HB2 GLU B 56 28.643 -7.924 15.531 1.00 28.88 H new ATOM 0 HB3 GLU B 56 27.511 -8.870 14.585 1.00 28.88 H new ATOM 0 HG2 GLU B 56 29.086 -9.504 13.073 1.00 30.94 H new ATOM 0 HG3 GLU B 56 29.864 -7.935 13.059 1.00 30.94 H new ATOM 603 N ARG B 57 25.365 -7.364 14.077 1.00 26.43 N ATOM 604 CA ARG B 57 24.028 -7.655 13.572 1.00 26.12 C ATOM 605 C ARG B 57 23.533 -6.528 12.672 1.00 24.36 C ATOM 606 O ARG B 57 22.816 -6.764 11.699 1.00 24.34 O ATOM 607 CB ARG B 57 23.055 -7.858 14.734 1.00 26.20 C ATOM 608 CG ARG B 57 23.264 -9.163 15.485 1.00 26.46 C ATOM 609 CD ARG B 57 22.022 -9.564 16.263 1.00 26.74 C ATOM 610 NE ARG B 57 22.247 -10.748 17.085 1.00 28.06 N ATOM 611 CZ ARG B 57 21.315 -11.297 17.856 1.00 27.51 C ATOM 612 NH1 ARG B 57 20.100 -10.769 17.908 1.00 25.73 N ATOM 613 NH2 ARG B 57 21.595 -12.376 18.573 1.00 28.91 N ATOM 0 H ARG B 57 25.439 -7.356 15.094 1.00 26.43 H new ATOM 0 HA ARG B 57 24.078 -8.572 12.985 1.00 26.12 H new ATOM 0 HB2 ARG B 57 23.158 -7.027 15.432 1.00 26.20 H new ATOM 0 HB3 ARG B 57 22.035 -7.829 14.351 1.00 26.20 H new ATOM 0 HG2 ARG B 57 23.523 -9.952 14.779 1.00 26.46 H new ATOM 0 HG3 ARG B 57 24.106 -9.059 16.170 1.00 26.46 H new ATOM 0 HD2 ARG B 57 21.710 -8.736 16.899 1.00 26.74 H new ATOM 0 HD3 ARG B 57 21.205 -9.756 15.567 1.00 26.74 H new ATOM 0 HE ARG B 57 23.172 -11.178 17.067 1.00 28.06 H new ATOM 0 HH11 ARG B 57 19.880 -9.940 17.356 1.00 25.73 H new ATOM 0 HH12 ARG B 57 19.385 -11.192 18.500 1.00 25.73 H new ATOM 0 HH21 ARG B 57 22.528 -12.787 18.534 1.00 28.91 H new ATOM 0 HH22 ARG B 57 20.878 -12.796 19.164 1.00 28.91 H new ATOM 627 N LEU B 58 23.921 -5.301 13.005 1.00 22.99 N ATOM 628 CA LEU B 58 23.516 -4.135 12.229 1.00 21.49 C ATOM 629 C LEU B 58 24.153 -4.152 10.846 1.00 19.53 C ATOM 630 O LEU B 58 23.457 -4.163 9.832 1.00 17.57 O ATOM 631 CB LEU B 58 23.903 -2.850 12.964 1.00 22.21 C ATOM 632 CG LEU B 58 22.892 -2.371 14.007 1.00 21.94 C ATOM 633 CD1 LEU B 58 23.505 -1.295 14.889 1.00 21.20 C ATOM 634 CD2 LEU B 58 21.634 -1.851 13.328 1.00 21.70 C ATOM 0 H LEU B 58 24.515 -5.089 13.807 1.00 22.99 H new ATOM 0 HA LEU B 58 22.433 -4.168 12.110 1.00 21.49 H new ATOM 0 HB2 LEU B 58 24.863 -3.006 13.456 1.00 22.21 H new ATOM 0 HB3 LEU B 58 24.046 -2.058 12.229 1.00 22.21 H new ATOM 0 HG LEU B 58 22.619 -3.218 14.637 1.00 21.94 H new ATOM 0 HD11 LEU B 58 22.771 -0.966 15.625 1.00 21.20 H new ATOM 0 HD12 LEU B 58 24.378 -1.699 15.402 1.00 21.20 H new ATOM 0 HD13 LEU B 58 23.806 -0.448 14.273 1.00 21.20 H new ATOM 0 HD21 LEU B 58 20.925 -1.514 14.084 1.00 21.70 H new ATOM 0 HD22 LEU B 58 21.891 -1.017 12.675 1.00 21.70 H new ATOM 0 HD23 LEU B 58 21.183 -2.649 12.738 1.00 21.70 H new ATOM 646 N ALA B 59 25.480 -4.159 10.818 1.00 20.24 N ATOM 647 CA ALA B 59 26.226 -4.176 9.563 1.00 18.72 C ATOM 648 C ALA B 59 25.658 -5.212 8.601 1.00 17.78 C ATOM 649 O ALA B 59 25.645 -5.007 7.388 1.00 17.92 O ATOM 650 CB ALA B 59 27.698 -4.453 9.832 1.00 18.95 C ATOM 0 H ALA B 59 26.065 -4.153 11.653 1.00 20.24 H new ATOM 0 HA ALA B 59 26.130 -3.196 9.096 1.00 18.72 H new ATOM 0 HB1 ALA B 59 28.245 -4.463 8.889 1.00 18.95 H new ATOM 0 HB2 ALA B 59 28.103 -3.674 10.477 1.00 18.95 H new ATOM 0 HB3 ALA B 59 27.802 -5.421 10.323 1.00 18.95 H new ATOM 656 N ASP B 60 25.184 -6.321 9.154 1.00 17.04 N ATOM 657 CA ASP B 60 24.608 -7.389 8.347 1.00 16.21 C ATOM 658 C ASP B 60 23.374 -6.891 7.603 1.00 13.29 C ATOM 659 O ASP B 60 23.236 -7.098 6.398 1.00 12.44 O ATOM 660 CB ASP B 60 24.243 -8.585 9.227 1.00 16.92 C ATOM 661 CG ASP B 60 23.565 -9.692 8.446 1.00 17.74 C ATOM 662 OD1 ASP B 60 24.282 -10.529 7.859 1.00 18.40 O ATOM 663 OD2 ASP B 60 22.317 -9.722 8.420 1.00 17.76 O ATOM 0 H ASP B 60 25.187 -6.504 10.157 1.00 17.04 H new ATOM 0 HA ASP B 60 25.352 -7.705 7.616 1.00 16.21 H new ATOM 0 HB2 ASP B 60 25.146 -8.976 9.697 1.00 16.92 H new ATOM 0 HB3 ASP B 60 23.584 -8.254 10.030 1.00 16.92 H new ATOM 668 N GLU B 61 22.479 -6.231 8.331 1.00 12.09 N ATOM 669 CA GLU B 61 21.259 -5.698 7.740 1.00 9.31 C ATOM 670 C GLU B 61 21.590 -4.663 6.671 1.00 8.79 C ATOM 671 O GLU B 61 20.881 -4.538 5.671 1.00 7.74 O ATOM 672 CB GLU B 61 20.374 -5.071 8.819 1.00 8.45 C ATOM 673 CG GLU B 61 19.961 -6.050 9.906 1.00 10.69 C ATOM 674 CD GLU B 61 19.270 -5.370 11.072 1.00 11.40 C ATOM 675 OE1 GLU B 61 19.104 -4.133 11.024 1.00 12.27 O ATOM 676 OE2 GLU B 61 18.896 -6.074 12.033 1.00 11.50 O ATOM 0 H GLU B 61 22.577 -6.053 9.331 1.00 12.09 H new ATOM 0 HA GLU B 61 20.717 -6.521 7.274 1.00 9.31 H new ATOM 0 HB2 GLU B 61 20.906 -4.237 9.275 1.00 8.45 H new ATOM 0 HB3 GLU B 61 19.479 -4.661 8.351 1.00 8.45 H new ATOM 0 HG2 GLU B 61 19.294 -6.800 9.480 1.00 10.69 H new ATOM 0 HG3 GLU B 61 20.843 -6.578 10.269 1.00 10.69 H new ATOM 683 N GLN B 62 22.676 -3.928 6.885 1.00 9.98 N ATOM 684 CA GLN B 62 23.108 -2.907 5.938 1.00 9.76 C ATOM 685 C GLN B 62 23.676 -3.552 4.677 1.00 10.96 C ATOM 686 O GLN B 62 23.299 -3.194 3.561 1.00 11.29 O ATOM 687 CB GLN B 62 24.163 -2.001 6.572 1.00 9.09 C ATOM 688 CG GLN B 62 23.907 -1.672 8.035 1.00 9.00 C ATOM 689 CD GLN B 62 22.449 -1.372 8.331 1.00 6.31 C ATOM 690 OE1 GLN B 62 21.649 -1.156 7.421 1.00 5.31 O ATOM 691 NE2 GLN B 62 22.099 -1.353 9.612 1.00 5.84 N ATOM 0 H GLN B 62 23.273 -4.021 7.707 1.00 9.98 H new ATOM 0 HA GLN B 62 22.240 -2.306 5.668 1.00 9.76 H new ATOM 0 HB2 GLN B 62 25.138 -2.481 6.485 1.00 9.09 H new ATOM 0 HB3 GLN B 62 24.214 -1.071 6.006 1.00 9.09 H new ATOM 0 HG2 GLN B 62 24.232 -2.510 8.652 1.00 9.00 H new ATOM 0 HG3 GLN B 62 24.514 -0.812 8.320 1.00 9.00 H new ATOM 0 HE21 GLN B 62 22.796 -1.538 10.334 1.00 5.84 H new ATOM 0 HE22 GLN B 62 21.134 -1.154 9.874 1.00 5.84 H new ATOM 700 N SER B 63 24.585 -4.505 4.865 1.00 11.82 N ATOM 701 CA SER B 63 25.207 -5.201 3.744 1.00 13.07 C ATOM 702 C SER B 63 24.148 -5.752 2.795 1.00 12.21 C ATOM 703 O SER B 63 24.105 -5.389 1.620 1.00 10.92 O ATOM 704 CB SER B 63 26.097 -6.337 4.249 1.00 16.09 C ATOM 705 OG SER B 63 26.745 -5.980 5.457 1.00 17.06 O ATOM 0 H SER B 63 24.907 -4.812 5.783 1.00 11.82 H new ATOM 0 HA SER B 63 25.822 -4.485 3.200 1.00 13.07 H new ATOM 0 HB2 SER B 63 25.495 -7.232 4.407 1.00 16.09 H new ATOM 0 HB3 SER B 63 26.842 -6.583 3.492 1.00 16.09 H new ATOM 0 HG SER B 63 26.137 -6.129 6.211 1.00 17.06 H new ATOM 711 N GLU B 64 23.294 -6.628 3.315 1.00 13.37 N ATOM 712 CA GLU B 64 22.236 -7.226 2.518 1.00 13.70 C ATOM 713 C GLU B 64 21.436 -6.153 1.788 1.00 11.30 C ATOM 714 O GLU B 64 20.988 -6.357 0.660 1.00 11.45 O ATOM 715 CB GLU B 64 21.311 -8.050 3.414 1.00 15.48 C ATOM 716 CG GLU B 64 20.608 -7.229 4.483 1.00 14.48 C ATOM 717 CD GLU B 64 19.737 -8.078 5.389 1.00 16.34 C ATOM 718 OE1 GLU B 64 19.940 -9.309 5.425 1.00 18.75 O ATOM 719 OE2 GLU B 64 18.853 -7.509 6.062 1.00 15.46 O ATOM 0 H GLU B 64 23.317 -6.938 4.287 1.00 13.37 H new ATOM 0 HA GLU B 64 22.692 -7.880 1.774 1.00 13.70 H new ATOM 0 HB2 GLU B 64 20.561 -8.541 2.794 1.00 15.48 H new ATOM 0 HB3 GLU B 64 21.892 -8.837 3.895 1.00 15.48 H new ATOM 0 HG2 GLU B 64 21.353 -6.708 5.085 1.00 14.48 H new ATOM 0 HG3 GLU B 64 19.994 -6.466 4.005 1.00 14.48 H new ATOM 726 N LEU B 65 21.263 -5.008 2.439 1.00 9.68 N ATOM 727 CA LEU B 65 20.522 -3.901 1.851 1.00 7.64 C ATOM 728 C LEU B 65 21.285 -3.308 0.671 1.00 6.05 C ATOM 729 O LEU B 65 20.697 -2.977 -0.358 1.00 5.07 O ATOM 730 CB LEU B 65 20.254 -2.819 2.901 1.00 8.15 C ATOM 731 CG LEU B 65 18.777 -2.591 3.232 1.00 9.72 C ATOM 732 CD1 LEU B 65 18.606 -2.259 4.706 1.00 10.25 C ATOM 733 CD2 LEU B 65 18.205 -1.481 2.363 1.00 9.05 C ATOM 0 H LEU B 65 21.626 -4.823 3.374 1.00 9.68 H new ATOM 0 HA LEU B 65 19.568 -4.284 1.490 1.00 7.64 H new ATOM 0 HB2 LEU B 65 20.779 -3.086 3.818 1.00 8.15 H new ATOM 0 HB3 LEU B 65 20.682 -1.880 2.550 1.00 8.15 H new ATOM 0 HG LEU B 65 18.229 -3.510 3.023 1.00 9.72 H new ATOM 0 HD11 LEU B 65 17.550 -2.100 4.923 1.00 10.25 H new ATOM 0 HD12 LEU B 65 18.980 -3.085 5.311 1.00 10.25 H new ATOM 0 HD13 LEU B 65 19.165 -1.354 4.942 1.00 10.25 H new ATOM 0 HD21 LEU B 65 17.154 -1.331 2.610 1.00 9.05 H new ATOM 0 HD22 LEU B 65 18.756 -0.558 2.543 1.00 9.05 H new ATOM 0 HD23 LEU B 65 18.295 -1.758 1.313 1.00 9.05 H new ATOM 745 N VAL B 66 22.600 -3.177 0.826 1.00 6.50 N ATOM 746 CA VAL B 66 23.441 -2.626 -0.227 1.00 6.50 C ATOM 747 C VAL B 66 23.440 -3.526 -1.458 1.00 6.78 C ATOM 748 O VAL B 66 23.489 -3.046 -2.590 1.00 6.95 O ATOM 749 CB VAL B 66 24.892 -2.438 0.253 1.00 7.58 C ATOM 750 CG1 VAL B 66 25.698 -1.651 -0.770 1.00 8.41 C ATOM 751 CG2 VAL B 66 24.920 -1.749 1.609 1.00 7.77 C ATOM 0 H VAL B 66 23.104 -3.445 1.671 1.00 6.50 H new ATOM 0 HA VAL B 66 23.023 -1.654 -0.488 1.00 6.50 H new ATOM 0 HB VAL B 66 25.349 -3.422 0.360 1.00 7.58 H new ATOM 0 HG11 VAL B 66 26.720 -1.529 -0.412 1.00 8.41 H new ATOM 0 HG12 VAL B 66 25.707 -2.189 -1.718 1.00 8.41 H new ATOM 0 HG13 VAL B 66 25.245 -0.670 -0.914 1.00 8.41 H new ATOM 0 HG21 VAL B 66 25.953 -1.624 1.933 1.00 7.77 H new ATOM 0 HG22 VAL B 66 24.444 -0.772 1.530 1.00 7.77 H new ATOM 0 HG23 VAL B 66 24.383 -2.357 2.337 1.00 7.77 H new ATOM 761 N LYS B 67 23.386 -4.833 -1.228 1.00 7.40 N ATOM 762 CA LYS B 67 23.381 -5.801 -2.319 1.00 7.87 C ATOM 763 C LYS B 67 22.141 -5.634 -3.189 1.00 7.23 C ATOM 764 O LYS B 67 22.243 -5.491 -4.407 1.00 7.32 O ATOM 765 CB LYS B 67 23.442 -7.227 -1.768 1.00 8.55 C ATOM 766 CG LYS B 67 23.370 -8.298 -2.844 1.00 11.44 C ATOM 767 CD LYS B 67 22.974 -9.646 -2.262 1.00 11.85 C ATOM 768 CE LYS B 67 23.110 -10.759 -3.290 1.00 13.58 C ATOM 769 NZ LYS B 67 24.034 -11.832 -2.829 1.00 12.76 N ATOM 0 H LYS B 67 23.345 -5.247 -0.297 1.00 7.40 H new ATOM 0 HA LYS B 67 24.263 -5.619 -2.934 1.00 7.87 H new ATOM 0 HB2 LYS B 67 24.367 -7.351 -1.205 1.00 8.55 H new ATOM 0 HB3 LYS B 67 22.620 -7.372 -1.067 1.00 8.55 H new ATOM 0 HG2 LYS B 67 22.648 -8.003 -3.605 1.00 11.44 H new ATOM 0 HG3 LYS B 67 24.337 -8.384 -3.339 1.00 11.44 H new ATOM 0 HD2 LYS B 67 23.600 -9.869 -1.398 1.00 11.85 H new ATOM 0 HD3 LYS B 67 21.945 -9.602 -1.906 1.00 11.85 H new ATOM 0 HE2 LYS B 67 22.129 -11.188 -3.493 1.00 13.58 H new ATOM 0 HE3 LYS B 67 23.476 -10.343 -4.229 1.00 13.58 H new ATOM 0 HZ1 LYS B 67 24.099 -12.571 -3.558 1.00 12.76 H new ATOM 0 HZ2 LYS B 67 24.978 -11.429 -2.660 1.00 12.76 H new ATOM 0 HZ3 LYS B 67 23.672 -12.247 -1.947 1.00 12.76 H new ATOM 783 N LYS B 68 20.972 -5.650 -2.559 1.00 7.38 N ATOM 784 CA LYS B 68 19.717 -5.498 -3.284 1.00 7.43 C ATOM 785 C LYS B 68 19.708 -4.194 -4.073 1.00 7.74 C ATOM 786 O LYS B 68 19.087 -4.100 -5.131 1.00 8.16 O ATOM 787 CB LYS B 68 18.533 -5.533 -2.316 1.00 6.73 C ATOM 788 CG LYS B 68 17.185 -5.661 -3.008 1.00 7.34 C ATOM 789 CD LYS B 68 16.085 -6.021 -2.023 1.00 8.61 C ATOM 790 CE LYS B 68 15.828 -7.519 -1.995 1.00 8.47 C ATOM 791 NZ LYS B 68 15.887 -8.069 -0.612 1.00 8.37 N ATOM 0 H LYS B 68 20.867 -5.766 -1.551 1.00 7.38 H new ATOM 0 HA LYS B 68 19.624 -6.329 -3.983 1.00 7.43 H new ATOM 0 HB2 LYS B 68 18.660 -6.370 -1.629 1.00 6.73 H new ATOM 0 HB3 LYS B 68 18.539 -4.624 -1.715 1.00 6.73 H new ATOM 0 HG2 LYS B 68 16.938 -4.722 -3.503 1.00 7.34 H new ATOM 0 HG3 LYS B 68 17.244 -6.424 -3.784 1.00 7.34 H new ATOM 0 HD2 LYS B 68 16.363 -5.680 -1.026 1.00 8.61 H new ATOM 0 HD3 LYS B 68 15.168 -5.499 -2.294 1.00 8.61 H new ATOM 0 HE2 LYS B 68 14.849 -7.727 -2.427 1.00 8.47 H new ATOM 0 HE3 LYS B 68 16.565 -8.025 -2.618 1.00 8.47 H new ATOM 0 HZ1 LYS B 68 15.706 -9.093 -0.638 1.00 8.37 H new ATOM 0 HZ2 LYS B 68 16.829 -7.894 -0.209 1.00 8.37 H new ATOM 0 HZ3 LYS B 68 15.166 -7.605 -0.023 1.00 8.37 H new ATOM 805 N MET B 69 20.405 -3.191 -3.550 1.00 7.69 N ATOM 806 CA MET B 69 20.483 -1.891 -4.203 1.00 8.13 C ATOM 807 C MET B 69 21.350 -1.965 -5.455 1.00 9.06 C ATOM 808 O MET B 69 20.919 -1.583 -6.544 1.00 10.84 O ATOM 809 CB MET B 69 21.047 -0.846 -3.239 1.00 7.42 C ATOM 810 CG MET B 69 21.262 0.516 -3.876 1.00 8.41 C ATOM 811 SD MET B 69 22.087 1.678 -2.770 1.00 7.59 S ATOM 812 CE MET B 69 23.644 0.838 -2.496 1.00 5.50 C ATOM 0 H MET B 69 20.924 -3.254 -2.674 1.00 7.69 H new ATOM 0 HA MET B 69 19.475 -1.597 -4.496 1.00 8.13 H new ATOM 0 HB2 MET B 69 20.367 -0.739 -2.394 1.00 7.42 H new ATOM 0 HB3 MET B 69 21.996 -1.206 -2.841 1.00 7.42 H new ATOM 0 HG2 MET B 69 21.856 0.399 -4.782 1.00 8.41 H new ATOM 0 HG3 MET B 69 20.299 0.928 -4.177 1.00 8.41 H new ATOM 0 HE1 MET B 69 24.446 1.573 -2.422 1.00 5.50 H new ATOM 0 HE2 MET B 69 23.590 0.265 -1.570 1.00 5.50 H new ATOM 0 HE3 MET B 69 23.845 0.164 -3.329 1.00 5.50 H new ATOM 822 N VAL B 70 22.574 -2.458 -5.294 1.00 8.16 N ATOM 823 CA VAL B 70 23.499 -2.580 -6.413 1.00 8.86 C ATOM 824 C VAL B 70 23.114 -3.742 -7.325 1.00 10.38 C ATOM 825 O VAL B 70 23.510 -3.784 -8.490 1.00 10.42 O ATOM 826 CB VAL B 70 24.949 -2.776 -5.927 1.00 8.79 C ATOM 827 CG1 VAL B 70 25.903 -2.898 -7.108 1.00 8.53 C ATOM 828 CG2 VAL B 70 25.362 -1.630 -5.016 1.00 8.57 C ATOM 0 H VAL B 70 22.947 -2.779 -4.400 1.00 8.16 H new ATOM 0 HA VAL B 70 23.437 -1.648 -6.976 1.00 8.86 H new ATOM 0 HB VAL B 70 24.998 -3.704 -5.357 1.00 8.79 H new ATOM 0 HG11 VAL B 70 26.920 -3.036 -6.741 1.00 8.53 H new ATOM 0 HG12 VAL B 70 25.618 -3.755 -7.719 1.00 8.53 H new ATOM 0 HG13 VAL B 70 25.854 -1.991 -7.710 1.00 8.53 H new ATOM 0 HG21 VAL B 70 26.388 -1.783 -4.681 1.00 8.57 H new ATOM 0 HG22 VAL B 70 25.295 -0.689 -5.562 1.00 8.57 H new ATOM 0 HG23 VAL B 70 24.699 -1.596 -4.151 1.00 8.57 H new ATOM 838 N PHE B 71 22.337 -4.681 -6.792 1.00 12.11 N ATOM 839 CA PHE B 71 21.900 -5.835 -7.565 1.00 13.71 C ATOM 840 C PHE B 71 20.987 -5.402 -8.707 1.00 16.43 C ATOM 841 O PHE B 71 21.185 -5.796 -9.856 1.00 17.70 O ATOM 842 CB PHE B 71 21.172 -6.834 -6.665 1.00 14.00 C ATOM 843 CG PHE B 71 20.647 -8.032 -7.403 1.00 13.56 C ATOM 844 CD1 PHE B 71 19.469 -7.943 -8.158 1.00 14.44 C ATOM 845 CD2 PHE B 71 21.327 -9.257 -7.353 1.00 12.59 C ATOM 846 CE1 PHE B 71 18.978 -9.055 -8.849 1.00 14.04 C ATOM 847 CE2 PHE B 71 20.841 -10.372 -8.041 1.00 12.31 C ATOM 848 CZ PHE B 71 19.666 -10.270 -8.790 1.00 12.85 C ATOM 0 H PHE B 71 21.999 -4.664 -5.830 1.00 12.11 H new ATOM 0 HA PHE B 71 22.782 -6.317 -7.987 1.00 13.71 H new ATOM 0 HB2 PHE B 71 21.852 -7.169 -5.882 1.00 14.00 H new ATOM 0 HB3 PHE B 71 20.342 -6.329 -6.171 1.00 14.00 H new ATOM 0 HD1 PHE B 71 18.935 -7.005 -8.206 1.00 14.44 H new ATOM 0 HD2 PHE B 71 22.236 -9.340 -6.776 1.00 12.59 H new ATOM 0 HE1 PHE B 71 18.069 -8.975 -9.427 1.00 14.04 H new ATOM 0 HE2 PHE B 71 21.373 -11.311 -7.994 1.00 12.31 H new ATOM 0 HZ PHE B 71 19.289 -11.130 -9.323 1.00 12.85 H new ATOM 858 N ASP B 72 19.990 -4.585 -8.383 1.00 17.58 N ATOM 859 CA ASP B 72 19.051 -4.094 -9.382 1.00 20.16 C ATOM 860 C ASP B 72 19.761 -3.202 -10.395 1.00 20.22 C ATOM 861 O ASP B 72 19.501 -3.280 -11.596 1.00 20.26 O ATOM 862 CB ASP B 72 17.916 -3.319 -8.710 1.00 21.39 C ATOM 863 CG ASP B 72 16.676 -3.240 -9.578 1.00 22.74 C ATOM 864 OD1 ASP B 72 16.508 -4.114 -10.455 1.00 23.74 O ATOM 865 OD2 ASP B 72 15.871 -2.305 -9.381 1.00 22.93 O ATOM 0 H ASP B 72 19.812 -4.250 -7.436 1.00 17.58 H new ATOM 0 HA ASP B 72 18.632 -4.952 -9.907 1.00 20.16 H new ATOM 0 HB2 ASP B 72 17.664 -3.798 -7.764 1.00 21.39 H new ATOM 0 HB3 ASP B 72 18.257 -2.311 -8.476 1.00 21.39 H new ATOM 870 N THR B 73 20.661 -2.357 -9.902 1.00 20.36 N ATOM 871 CA THR B 73 21.411 -1.452 -10.763 1.00 20.60 C ATOM 872 C THR B 73 22.193 -2.229 -11.817 1.00 22.24 C ATOM 873 O THR B 73 22.009 -2.026 -13.017 1.00 23.92 O ATOM 874 CB THR B 73 22.367 -0.597 -9.931 1.00 18.49 C ATOM 875 OG1 THR B 73 21.654 0.184 -8.989 1.00 19.17 O ATOM 876 CG2 THR B 73 23.208 0.344 -10.767 1.00 18.12 C ATOM 0 H THR B 73 20.888 -2.281 -8.911 1.00 20.36 H new ATOM 0 HA THR B 73 20.700 -0.800 -11.270 1.00 20.60 H new ATOM 0 HB THR B 73 23.029 -1.306 -9.433 1.00 18.49 H new ATOM 0 HG1 THR B 73 21.405 -0.374 -8.223 1.00 19.17 H new ATOM 0 HG21 THR B 73 23.864 0.921 -10.116 1.00 18.12 H new ATOM 0 HG22 THR B 73 23.810 -0.233 -11.470 1.00 18.12 H new ATOM 0 HG23 THR B 73 22.556 1.022 -11.318 1.00 18.12 H new ATOM 884 N LEU B 74 23.066 -3.121 -11.360 1.00 21.82 N ATOM 885 CA LEU B 74 23.877 -3.930 -12.263 1.00 23.43 C ATOM 886 C LEU B 74 23.005 -4.622 -13.307 1.00 25.17 C ATOM 887 O LEU B 74 23.357 -4.680 -14.485 1.00 26.92 O ATOM 888 CB LEU B 74 24.671 -4.972 -11.474 1.00 23.26 C ATOM 889 CG LEU B 74 25.789 -4.407 -10.597 1.00 21.95 C ATOM 890 CD1 LEU B 74 26.157 -5.393 -9.500 1.00 22.52 C ATOM 891 CD2 LEU B 74 27.006 -4.066 -11.443 1.00 21.82 C ATOM 0 H LEU B 74 23.230 -3.302 -10.370 1.00 21.82 H new ATOM 0 HA LEU B 74 24.572 -3.267 -12.778 1.00 23.43 H new ATOM 0 HB2 LEU B 74 23.981 -5.530 -10.841 1.00 23.26 H new ATOM 0 HB3 LEU B 74 25.105 -5.683 -12.176 1.00 23.26 H new ATOM 0 HG LEU B 74 25.430 -3.492 -10.126 1.00 21.95 H new ATOM 0 HD11 LEU B 74 26.954 -4.974 -8.886 1.00 22.52 H new ATOM 0 HD12 LEU B 74 25.284 -5.587 -8.877 1.00 22.52 H new ATOM 0 HD13 LEU B 74 26.497 -6.326 -9.949 1.00 22.52 H new ATOM 0 HD21 LEU B 74 27.793 -3.665 -10.804 1.00 21.82 H new ATOM 0 HD22 LEU B 74 27.367 -4.966 -11.941 1.00 21.82 H new ATOM 0 HD23 LEU B 74 26.732 -3.322 -12.191 1.00 21.82 H new ATOM 903 N LYS B 75 21.864 -5.145 -12.868 1.00 24.79 N ATOM 904 CA LYS B 75 20.944 -5.829 -13.768 1.00 26.40 C ATOM 905 C LYS B 75 20.652 -4.974 -14.995 1.00 26.90 C ATOM 906 O LYS B 75 20.729 -5.446 -16.129 1.00 27.95 O ATOM 907 CB LYS B 75 19.640 -6.166 -13.044 1.00 26.28 C ATOM 908 CG LYS B 75 18.767 -7.159 -13.794 1.00 26.03 C ATOM 909 CD LYS B 75 18.682 -8.490 -13.064 1.00 25.27 C ATOM 910 CE LYS B 75 17.246 -8.978 -12.961 1.00 27.14 C ATOM 911 NZ LYS B 75 17.135 -10.204 -12.125 1.00 27.09 N ATOM 0 H LYS B 75 21.556 -5.108 -11.896 1.00 24.79 H new ATOM 0 HA LYS B 75 21.417 -6.755 -14.095 1.00 26.40 H new ATOM 0 HB2 LYS B 75 19.875 -6.572 -12.060 1.00 26.28 H new ATOM 0 HB3 LYS B 75 19.075 -5.248 -12.883 1.00 26.28 H new ATOM 0 HG2 LYS B 75 17.766 -6.745 -13.916 1.00 26.03 H new ATOM 0 HG3 LYS B 75 19.171 -7.317 -14.794 1.00 26.03 H new ATOM 0 HD2 LYS B 75 19.283 -9.233 -13.588 1.00 25.27 H new ATOM 0 HD3 LYS B 75 19.105 -8.386 -12.065 1.00 25.27 H new ATOM 0 HE2 LYS B 75 16.625 -8.190 -12.535 1.00 27.14 H new ATOM 0 HE3 LYS B 75 16.860 -9.183 -13.959 1.00 27.14 H new ATOM 0 HZ1 LYS B 75 16.140 -10.504 -12.080 1.00 27.09 H new ATOM 0 HZ2 LYS B 75 17.707 -10.964 -12.545 1.00 27.09 H new ATOM 0 HZ3 LYS B 75 17.479 -10.002 -11.165 1.00 27.09 H new ATOM 925 N ASP B 76 20.325 -3.710 -14.757 1.00 26.24 N ATOM 926 CA ASP B 76 20.027 -2.779 -15.836 1.00 26.79 C ATOM 927 C ASP B 76 21.298 -2.413 -16.596 1.00 27.11 C ATOM 928 O ASP B 76 21.264 -2.164 -17.800 1.00 28.21 O ATOM 929 CB ASP B 76 19.366 -1.517 -15.281 1.00 25.59 C ATOM 930 CG ASP B 76 18.030 -1.228 -15.936 1.00 26.78 C ATOM 931 OD1 ASP B 76 17.048 -1.930 -15.615 1.00 27.50 O ATOM 932 OD2 ASP B 76 17.965 -0.300 -16.770 1.00 27.08 O ATOM 0 H ASP B 76 20.260 -3.306 -13.823 1.00 26.24 H new ATOM 0 HA ASP B 76 19.337 -3.264 -16.526 1.00 26.79 H new ATOM 0 HB2 ASP B 76 19.224 -1.627 -14.206 1.00 25.59 H new ATOM 0 HB3 ASP B 76 20.032 -0.667 -15.429 1.00 25.59 H new ATOM 937 N LEU B 77 22.418 -2.385 -15.880 1.00 26.19 N ATOM 938 CA LEU B 77 23.703 -2.052 -16.483 1.00 26.39 C ATOM 939 C LEU B 77 24.034 -3.017 -17.615 1.00 27.77 C ATOM 940 O LEU B 77 24.556 -2.616 -18.655 1.00 28.37 O ATOM 941 CB LEU B 77 24.806 -2.088 -15.423 1.00 25.74 C ATOM 942 CG LEU B 77 24.946 -0.814 -14.589 1.00 25.99 C ATOM 943 CD1 LEU B 77 25.939 -1.023 -13.456 1.00 23.85 C ATOM 944 CD2 LEU B 77 25.372 0.354 -15.466 1.00 27.56 C ATOM 0 H LEU B 77 22.461 -2.589 -14.882 1.00 26.19 H new ATOM 0 HA LEU B 77 23.639 -1.045 -16.896 1.00 26.39 H new ATOM 0 HB2 LEU B 77 24.615 -2.925 -14.751 1.00 25.74 H new ATOM 0 HB3 LEU B 77 25.757 -2.287 -15.917 1.00 25.74 H new ATOM 0 HG LEU B 77 23.975 -0.580 -14.154 1.00 25.99 H new ATOM 0 HD11 LEU B 77 26.025 -0.106 -12.874 1.00 23.85 H new ATOM 0 HD12 LEU B 77 25.591 -1.830 -12.812 1.00 23.85 H new ATOM 0 HD13 LEU B 77 26.913 -1.283 -13.870 1.00 23.85 H new ATOM 0 HD21 LEU B 77 25.467 1.252 -14.855 1.00 27.56 H new ATOM 0 HD22 LEU B 77 26.332 0.129 -15.931 1.00 27.56 H new ATOM 0 HD23 LEU B 77 24.623 0.519 -16.241 1.00 27.56 H new ATOM 956 N TYR B 78 23.723 -4.293 -17.408 1.00 28.29 N ATOM 957 CA TYR B 78 23.982 -5.318 -18.410 1.00 29.60 C ATOM 958 C TYR B 78 22.839 -5.389 -19.417 1.00 32.50 C ATOM 959 O TYR B 78 23.062 -5.503 -20.622 1.00 34.13 O ATOM 960 CB TYR B 78 24.171 -6.679 -17.739 1.00 28.39 C ATOM 961 CG TYR B 78 25.574 -6.917 -17.229 1.00 26.84 C ATOM 962 CD1 TYR B 78 26.634 -7.164 -18.119 1.00 25.48 C ATOM 963 CD2 TYR B 78 25.852 -6.900 -15.852 1.00 26.78 C ATOM 964 CE1 TYR B 78 27.931 -7.388 -17.650 1.00 24.16 C ATOM 965 CE2 TYR B 78 27.146 -7.123 -15.375 1.00 25.45 C ATOM 966 CZ TYR B 78 28.182 -7.365 -16.277 1.00 24.16 C ATOM 967 OH TYR B 78 29.458 -7.586 -15.812 1.00 22.97 O ATOM 0 H TYR B 78 23.290 -4.641 -16.553 1.00 28.29 H new ATOM 0 HA TYR B 78 24.896 -5.053 -18.941 1.00 29.60 H new ATOM 0 HB2 TYR B 78 23.472 -6.764 -16.907 1.00 28.39 H new ATOM 0 HB3 TYR B 78 23.915 -7.464 -18.451 1.00 28.39 H new ATOM 0 HD1 TYR B 78 26.443 -7.181 -19.182 1.00 25.48 H new ATOM 0 HD2 TYR B 78 25.052 -6.711 -15.151 1.00 26.78 H new ATOM 0 HE1 TYR B 78 28.735 -7.578 -18.346 1.00 24.16 H new ATOM 0 HE2 TYR B 78 27.343 -7.108 -14.313 1.00 25.45 H new ATOM 0 HH TYR B 78 29.463 -7.535 -14.833 1.00 22.97 H new ATOM 977 N LYS B 79 21.611 -5.321 -18.912 1.00 33.29 N ATOM 978 CA LYS B 79 20.427 -5.376 -19.760 1.00 36.07 C ATOM 979 C LYS B 79 20.455 -4.267 -20.809 1.00 37.75 C ATOM 980 O LYS B 79 20.187 -4.506 -21.987 1.00 39.25 O ATOM 981 CB LYS B 79 19.161 -5.258 -18.909 1.00 36.87 C ATOM 982 CG LYS B 79 17.876 -5.298 -19.719 1.00 38.17 C ATOM 983 CD LYS B 79 16.689 -5.710 -18.862 1.00 40.13 C ATOM 984 CE LYS B 79 16.557 -4.828 -17.631 1.00 39.86 C ATOM 985 NZ LYS B 79 15.442 -5.268 -16.748 1.00 41.93 N ATOM 0 H LYS B 79 21.411 -5.227 -17.916 1.00 33.29 H new ATOM 0 HA LYS B 79 20.423 -6.337 -20.275 1.00 36.07 H new ATOM 0 HB2 LYS B 79 19.146 -6.069 -18.180 1.00 36.87 H new ATOM 0 HB3 LYS B 79 19.197 -4.325 -18.347 1.00 36.87 H new ATOM 0 HG2 LYS B 79 17.688 -4.316 -20.154 1.00 38.17 H new ATOM 0 HG3 LYS B 79 17.988 -5.998 -20.547 1.00 38.17 H new ATOM 0 HD2 LYS B 79 15.775 -5.651 -19.453 1.00 40.13 H new ATOM 0 HD3 LYS B 79 16.804 -6.750 -18.555 1.00 40.13 H new ATOM 0 HE2 LYS B 79 17.492 -4.845 -17.071 1.00 39.86 H new ATOM 0 HE3 LYS B 79 16.389 -3.796 -17.940 1.00 39.86 H new ATOM 0 HZ1 LYS B 79 15.386 -4.641 -15.921 1.00 41.93 H new ATOM 0 HZ2 LYS B 79 14.546 -5.228 -17.274 1.00 41.93 H new ATOM 0 HZ3 LYS B 79 15.614 -6.244 -16.432 1.00 41.93 H new ATOM 1103 N ALA C 55 26.459 13.279 18.631 1.00 30.23 N ATOM 1104 CA ALA C 55 25.946 11.988 18.198 1.00 27.88 C ATOM 1105 C ALA C 55 25.267 12.110 16.839 1.00 25.89 C ATOM 1106 O ALA C 55 25.543 11.335 15.923 1.00 24.50 O ATOM 1107 CB ALA C 55 24.978 11.429 19.229 1.00 26.97 C ATOM 0 HA ALA C 55 26.785 11.299 18.102 1.00 27.88 H new ATOM 0 HB1 ALA C 55 24.603 10.463 18.890 1.00 26.97 H new ATOM 0 HB2 ALA C 55 25.493 11.305 20.182 1.00 26.97 H new ATOM 0 HB3 ALA C 55 24.143 12.118 19.355 1.00 26.97 H new ATOM 1113 N GLU C 56 24.385 13.097 16.713 1.00 25.95 N ATOM 1114 CA GLU C 56 23.675 13.329 15.464 1.00 24.35 C ATOM 1115 C GLU C 56 24.656 13.702 14.359 1.00 24.74 C ATOM 1116 O GLU C 56 24.567 13.202 13.238 1.00 24.53 O ATOM 1117 CB GLU C 56 22.637 14.439 15.638 1.00 25.05 C ATOM 1118 CG GLU C 56 21.921 14.812 14.350 1.00 25.46 C ATOM 1119 CD GLU C 56 22.247 16.219 13.888 1.00 26.87 C ATOM 1120 OE1 GLU C 56 21.989 17.170 14.655 1.00 28.09 O ATOM 1121 OE2 GLU C 56 22.760 16.369 12.759 1.00 26.86 O ATOM 0 H GLU C 56 24.146 13.748 17.461 1.00 25.95 H new ATOM 0 HA GLU C 56 23.161 12.409 15.184 1.00 24.35 H new ATOM 0 HB2 GLU C 56 21.899 14.122 16.375 1.00 25.05 H new ATOM 0 HB3 GLU C 56 23.129 15.325 16.040 1.00 25.05 H new ATOM 0 HG2 GLU C 56 22.195 14.104 13.568 1.00 25.46 H new ATOM 0 HG3 GLU C 56 20.845 14.722 14.498 1.00 25.46 H new ATOM 1128 N ARG C 57 25.598 14.576 14.692 1.00 25.41 N ATOM 1129 CA ARG C 57 26.607 15.012 13.738 1.00 25.86 C ATOM 1130 C ARG C 57 27.543 13.861 13.395 1.00 26.32 C ATOM 1131 O ARG C 57 27.894 13.653 12.234 1.00 26.82 O ATOM 1132 CB ARG C 57 27.406 16.186 14.308 1.00 25.88 C ATOM 1133 CG ARG C 57 28.500 16.687 13.379 1.00 25.25 C ATOM 1134 CD ARG C 57 29.407 17.688 14.076 1.00 25.42 C ATOM 1135 NE ARG C 57 28.759 18.985 14.249 1.00 24.95 N ATOM 1136 CZ ARG C 57 28.476 19.805 13.242 1.00 23.58 C ATOM 1137 NH1 ARG C 57 28.778 19.459 11.998 1.00 22.52 N ATOM 1138 NH2 ARG C 57 27.889 20.971 13.478 1.00 23.39 N ATOM 0 H ARG C 57 25.683 14.997 15.617 1.00 25.41 H new ATOM 0 HA ARG C 57 26.104 15.339 12.828 1.00 25.86 H new ATOM 0 HB2 ARG C 57 26.723 17.007 14.527 1.00 25.88 H new ATOM 0 HB3 ARG C 57 27.855 15.884 15.254 1.00 25.88 H new ATOM 0 HG2 ARG C 57 29.092 15.843 13.024 1.00 25.25 H new ATOM 0 HG3 ARG C 57 28.050 17.152 12.502 1.00 25.25 H new ATOM 0 HD2 ARG C 57 29.699 17.296 15.050 1.00 25.42 H new ATOM 0 HD3 ARG C 57 30.321 17.814 13.496 1.00 25.42 H new ATOM 0 HE ARG C 57 28.510 19.278 15.194 1.00 24.95 H new ATOM 0 HH11 ARG C 57 29.228 18.563 11.813 1.00 22.52 H new ATOM 0 HH12 ARG C 57 28.560 20.089 11.226 1.00 22.52 H new ATOM 0 HH21 ARG C 57 27.654 21.240 14.434 1.00 23.39 H new ATOM 0 HH22 ARG C 57 27.673 21.599 12.704 1.00 23.39 H new ATOM 1152 N LEU C 58 27.936 13.111 14.418 1.00 26.16 N ATOM 1153 CA LEU C 58 28.825 11.969 14.235 1.00 26.60 C ATOM 1154 C LEU C 58 28.218 10.966 13.261 1.00 24.43 C ATOM 1155 O LEU C 58 28.880 10.510 12.330 1.00 23.17 O ATOM 1156 CB LEU C 58 29.101 11.290 15.578 1.00 27.27 C ATOM 1157 CG LEU C 58 30.296 11.843 16.354 1.00 27.62 C ATOM 1158 CD1 LEU C 58 30.501 11.063 17.643 1.00 27.17 C ATOM 1159 CD2 LEU C 58 31.552 11.801 15.496 1.00 28.22 C ATOM 0 H LEU C 58 27.653 13.273 15.384 1.00 26.16 H new ATOM 0 HA LEU C 58 29.766 12.332 13.821 1.00 26.60 H new ATOM 0 HB2 LEU C 58 28.211 11.379 16.201 1.00 27.27 H new ATOM 0 HB3 LEU C 58 29.263 10.226 15.403 1.00 27.27 H new ATOM 0 HG LEU C 58 30.091 12.882 16.612 1.00 27.62 H new ATOM 0 HD11 LEU C 58 31.356 11.470 18.183 1.00 27.17 H new ATOM 0 HD12 LEU C 58 29.608 11.144 18.263 1.00 27.17 H new ATOM 0 HD13 LEU C 58 30.686 10.015 17.408 1.00 27.17 H new ATOM 0 HD21 LEU C 58 32.394 12.198 16.063 1.00 28.22 H new ATOM 0 HD22 LEU C 58 31.762 10.771 15.209 1.00 28.22 H new ATOM 0 HD23 LEU C 58 31.401 12.404 14.601 1.00 28.22 H new ATOM 1171 N ALA C 59 26.952 10.627 13.486 1.00 24.18 N ATOM 1172 CA ALA C 59 26.251 9.680 12.629 1.00 22.23 C ATOM 1173 C ALA C 59 26.369 10.083 11.164 1.00 21.71 C ATOM 1174 O ALA C 59 26.574 9.238 10.293 1.00 21.30 O ATOM 1175 CB ALA C 59 24.789 9.582 13.037 1.00 20.20 C ATOM 0 H ALA C 59 26.392 10.995 14.255 1.00 24.18 H new ATOM 0 HA ALA C 59 26.715 8.701 12.750 1.00 22.23 H new ATOM 0 HB1 ALA C 59 24.277 8.871 12.388 1.00 20.20 H new ATOM 0 HB2 ALA C 59 24.722 9.244 14.071 1.00 20.20 H new ATOM 0 HB3 ALA C 59 24.319 10.561 12.944 1.00 20.20 H new ATOM 1181 N ASP C 60 26.243 11.379 10.902 1.00 22.19 N ATOM 1182 CA ASP C 60 26.339 11.895 9.542 1.00 22.31 C ATOM 1183 C ASP C 60 27.783 11.856 9.055 1.00 22.13 C ATOM 1184 O ASP C 60 28.043 11.678 7.864 1.00 22.30 O ATOM 1185 CB ASP C 60 25.805 13.327 9.478 1.00 24.28 C ATOM 1186 CG ASP C 60 25.780 13.871 8.063 1.00 25.08 C ATOM 1187 OD1 ASP C 60 24.886 13.469 7.289 1.00 24.13 O ATOM 1188 OD2 ASP C 60 26.653 14.700 7.729 1.00 26.69 O ATOM 0 H ASP C 60 26.074 12.091 11.613 1.00 22.19 H new ATOM 0 HA ASP C 60 25.734 11.262 8.892 1.00 22.31 H new ATOM 0 HB2 ASP C 60 24.798 13.355 9.893 1.00 24.28 H new ATOM 0 HB3 ASP C 60 26.425 13.971 10.101 1.00 24.28 H new ATOM 1193 N GLU C 61 28.719 12.019 9.984 1.00 22.00 N ATOM 1194 CA GLU C 61 30.139 11.998 9.652 1.00 21.84 C ATOM 1195 C GLU C 61 30.580 10.593 9.264 1.00 20.04 C ATOM 1196 O GLU C 61 31.188 10.388 8.212 1.00 19.79 O ATOM 1197 CB GLU C 61 30.970 12.500 10.833 1.00 22.85 C ATOM 1198 CG GLU C 61 31.826 13.712 10.505 1.00 24.36 C ATOM 1199 CD GLU C 61 33.124 13.736 11.288 1.00 26.10 C ATOM 1200 OE1 GLU C 61 33.109 13.348 12.475 1.00 26.56 O ATOM 1201 OE2 GLU C 61 34.156 14.145 10.714 1.00 27.04 O ATOM 0 H GLU C 61 28.520 12.167 10.973 1.00 22.00 H new ATOM 0 HA GLU C 61 30.299 12.660 8.801 1.00 21.84 H new ATOM 0 HB2 GLU C 61 30.301 12.751 11.656 1.00 22.85 H new ATOM 0 HB3 GLU C 61 31.615 11.693 11.181 1.00 22.85 H new ATOM 0 HG2 GLU C 61 32.049 13.717 9.438 1.00 24.36 H new ATOM 0 HG3 GLU C 61 31.261 14.620 10.717 1.00 24.36 H new ATOM 1208 N GLN C 62 30.268 9.629 10.121 1.00 19.21 N ATOM 1209 CA GLN C 62 30.625 8.238 9.873 1.00 17.89 C ATOM 1210 C GLN C 62 30.026 7.753 8.558 1.00 16.77 C ATOM 1211 O GLN C 62 30.696 7.097 7.763 1.00 17.07 O ATOM 1212 CB GLN C 62 30.146 7.352 11.024 1.00 16.21 C ATOM 1213 CG GLN C 62 30.628 7.815 12.389 1.00 16.86 C ATOM 1214 CD GLN C 62 32.135 7.960 12.456 1.00 17.03 C ATOM 1215 OE1 GLN C 62 32.858 7.453 11.597 1.00 16.27 O ATOM 1216 NE2 GLN C 62 32.618 8.655 13.478 1.00 18.31 N ATOM 0 H GLN C 62 29.767 9.785 10.996 1.00 19.21 H new ATOM 0 HA GLN C 62 31.711 8.173 9.805 1.00 17.89 H new ATOM 0 HB2 GLN C 62 29.056 7.326 11.022 1.00 16.21 H new ATOM 0 HB3 GLN C 62 30.490 6.332 10.853 1.00 16.21 H new ATOM 0 HG2 GLN C 62 30.164 8.771 12.629 1.00 16.86 H new ATOM 0 HG3 GLN C 62 30.301 7.103 13.147 1.00 16.86 H new ATOM 0 HE21 GLN C 62 31.982 9.058 14.167 1.00 18.31 H new ATOM 0 HE22 GLN C 62 33.625 8.787 13.575 1.00 18.31 H new ATOM 1225 N SER C 63 28.757 8.086 8.337 1.00 15.82 N ATOM 1226 CA SER C 63 28.067 7.686 7.117 1.00 14.75 C ATOM 1227 C SER C 63 28.728 8.312 5.894 1.00 13.57 C ATOM 1228 O SER C 63 28.795 7.698 4.829 1.00 12.64 O ATOM 1229 CB SER C 63 26.595 8.098 7.181 1.00 14.43 C ATOM 1230 OG SER C 63 26.448 9.383 7.760 1.00 14.06 O ATOM 0 H SER C 63 28.188 8.630 8.986 1.00 15.82 H new ATOM 0 HA SER C 63 28.130 6.601 7.030 1.00 14.75 H new ATOM 0 HB2 SER C 63 26.170 8.098 6.177 1.00 14.43 H new ATOM 0 HB3 SER C 63 26.035 7.367 7.764 1.00 14.43 H new ATOM 0 HG SER C 63 26.482 9.308 8.737 1.00 14.06 H new ATOM 1236 N GLU C 64 29.218 9.537 6.055 1.00 13.68 N ATOM 1237 CA GLU C 64 29.877 10.246 4.966 1.00 12.72 C ATOM 1238 C GLU C 64 31.060 9.444 4.435 1.00 12.43 C ATOM 1239 O GLU C 64 31.271 9.358 3.225 1.00 11.68 O ATOM 1240 CB GLU C 64 30.346 11.625 5.436 1.00 13.14 C ATOM 1241 CG GLU C 64 30.824 12.524 4.307 1.00 14.32 C ATOM 1242 CD GLU C 64 32.152 13.190 4.616 1.00 16.69 C ATOM 1243 OE1 GLU C 64 32.274 13.798 5.701 1.00 18.43 O ATOM 1244 OE2 GLU C 64 33.069 13.105 3.773 1.00 16.98 O ATOM 0 H GLU C 64 29.171 10.059 6.930 1.00 13.68 H new ATOM 0 HA GLU C 64 29.156 10.374 4.158 1.00 12.72 H new ATOM 0 HB2 GLU C 64 29.528 12.118 5.960 1.00 13.14 H new ATOM 0 HB3 GLU C 64 31.155 11.498 6.155 1.00 13.14 H new ATOM 0 HG2 GLU C 64 30.920 11.936 3.394 1.00 14.32 H new ATOM 0 HG3 GLU C 64 30.073 13.290 4.115 1.00 14.32 H new ATOM 1251 N LEU C 65 31.827 8.857 5.347 1.00 13.39 N ATOM 1252 CA LEU C 65 32.986 8.058 4.968 1.00 13.19 C ATOM 1253 C LEU C 65 32.554 6.824 4.182 1.00 12.01 C ATOM 1254 O LEU C 65 33.209 6.429 3.217 1.00 13.29 O ATOM 1255 CB LEU C 65 33.773 7.637 6.210 1.00 12.99 C ATOM 1256 CG LEU C 65 34.191 8.784 7.131 1.00 14.48 C ATOM 1257 CD1 LEU C 65 34.024 8.385 8.589 1.00 15.51 C ATOM 1258 CD2 LEU C 65 35.628 9.197 6.849 1.00 16.79 C ATOM 0 H LEU C 65 31.667 8.919 6.352 1.00 13.39 H new ATOM 0 HA LEU C 65 33.628 8.669 4.334 1.00 13.19 H new ATOM 0 HB2 LEU C 65 33.169 6.933 6.783 1.00 12.99 H new ATOM 0 HB3 LEU C 65 34.668 7.103 5.891 1.00 12.99 H new ATOM 0 HG LEU C 65 33.544 9.639 6.934 1.00 14.48 H new ATOM 0 HD11 LEU C 65 34.326 9.213 9.230 1.00 15.51 H new ATOM 0 HD12 LEU C 65 32.980 8.139 8.782 1.00 15.51 H new ATOM 0 HD13 LEU C 65 34.646 7.516 8.802 1.00 15.51 H new ATOM 0 HD21 LEU C 65 35.909 10.014 7.513 1.00 16.79 H new ATOM 0 HD22 LEU C 65 36.290 8.348 7.018 1.00 16.79 H new ATOM 0 HD23 LEU C 65 35.716 9.525 5.813 1.00 16.79 H new ATOM 1270 N VAL C 66 31.445 6.223 4.600 1.00 9.78 N ATOM 1271 CA VAL C 66 30.922 5.038 3.936 1.00 8.79 C ATOM 1272 C VAL C 66 30.380 5.382 2.553 1.00 8.75 C ATOM 1273 O VAL C 66 30.662 4.689 1.576 1.00 9.96 O ATOM 1274 CB VAL C 66 29.806 4.374 4.763 1.00 8.82 C ATOM 1275 CG1 VAL C 66 29.316 3.108 4.079 1.00 8.64 C ATOM 1276 CG2 VAL C 66 30.295 4.074 6.171 1.00 9.24 C ATOM 0 H VAL C 66 30.892 6.539 5.397 1.00 9.78 H new ATOM 0 HA VAL C 66 31.752 4.338 3.837 1.00 8.79 H new ATOM 0 HB VAL C 66 28.968 5.067 4.834 1.00 8.82 H new ATOM 0 HG11 VAL C 66 28.527 2.653 4.678 1.00 8.64 H new ATOM 0 HG12 VAL C 66 28.925 3.356 3.092 1.00 8.64 H new ATOM 0 HG13 VAL C 66 30.144 2.407 3.975 1.00 8.64 H new ATOM 0 HG21 VAL C 66 29.494 3.605 6.742 1.00 9.24 H new ATOM 0 HG22 VAL C 66 31.150 3.399 6.123 1.00 9.24 H new ATOM 0 HG23 VAL C 66 30.592 5.002 6.658 1.00 9.24 H new ATOM 1286 N LYS C 67 29.606 6.461 2.477 1.00 8.00 N ATOM 1287 CA LYS C 67 29.034 6.898 1.210 1.00 9.05 C ATOM 1288 C LYS C 67 30.137 7.193 0.203 1.00 10.40 C ATOM 1289 O LYS C 67 30.184 6.598 -0.874 1.00 11.31 O ATOM 1290 CB LYS C 67 28.163 8.140 1.420 1.00 11.00 C ATOM 1291 CG LYS C 67 27.693 8.786 0.126 1.00 11.98 C ATOM 1292 CD LYS C 67 27.160 10.189 0.366 1.00 14.11 C ATOM 1293 CE LYS C 67 27.350 11.073 -0.856 1.00 16.71 C ATOM 1294 NZ LYS C 67 28.717 11.663 -0.908 1.00 18.31 N ATOM 0 H LYS C 67 29.362 7.046 3.276 1.00 8.00 H new ATOM 0 HA LYS C 67 28.410 6.095 0.817 1.00 9.05 H new ATOM 0 HB2 LYS C 67 27.292 7.865 2.015 1.00 11.00 H new ATOM 0 HB3 LYS C 67 28.725 8.873 1.998 1.00 11.00 H new ATOM 0 HG2 LYS C 67 28.520 8.826 -0.583 1.00 11.98 H new ATOM 0 HG3 LYS C 67 26.914 8.172 -0.327 1.00 11.98 H new ATOM 0 HD2 LYS C 67 26.101 10.139 0.619 1.00 14.11 H new ATOM 0 HD3 LYS C 67 27.671 10.633 1.220 1.00 14.11 H new ATOM 0 HE2 LYS C 67 27.173 10.488 -1.758 1.00 16.71 H new ATOM 0 HE3 LYS C 67 26.610 11.873 -0.844 1.00 16.71 H new ATOM 0 HZ1 LYS C 67 28.806 12.259 -1.756 1.00 18.31 H new ATOM 0 HZ2 LYS C 67 28.878 12.242 -0.059 1.00 18.31 H new ATOM 0 HZ3 LYS C 67 29.423 10.900 -0.945 1.00 18.31 H new ATOM 1308 N LYS C 68 31.030 8.109 0.563 1.00 10.71 N ATOM 1309 CA LYS C 68 32.139 8.471 -0.309 1.00 12.08 C ATOM 1310 C LYS C 68 32.957 7.236 -0.663 1.00 10.47 C ATOM 1311 O LYS C 68 33.522 7.142 -1.753 1.00 10.78 O ATOM 1312 CB LYS C 68 33.028 9.517 0.366 1.00 14.46 C ATOM 1313 CG LYS C 68 33.741 9.000 1.605 1.00 15.41 C ATOM 1314 CD LYS C 68 35.023 8.268 1.245 1.00 16.10 C ATOM 1315 CE LYS C 68 36.234 8.908 1.905 1.00 18.56 C ATOM 1316 NZ LYS C 68 37.497 8.577 1.189 1.00 20.10 N ATOM 0 H LYS C 68 31.007 8.612 1.450 1.00 10.71 H new ATOM 0 HA LYS C 68 31.734 8.898 -1.226 1.00 12.08 H new ATOM 0 HB2 LYS C 68 33.771 9.868 -0.351 1.00 14.46 H new ATOM 0 HB3 LYS C 68 32.418 10.378 0.640 1.00 14.46 H new ATOM 0 HG2 LYS C 68 33.971 9.834 2.268 1.00 15.41 H new ATOM 0 HG3 LYS C 68 33.080 8.329 2.153 1.00 15.41 H new ATOM 0 HD2 LYS C 68 34.947 7.226 1.554 1.00 16.10 H new ATOM 0 HD3 LYS C 68 35.153 8.271 0.163 1.00 16.10 H new ATOM 0 HE2 LYS C 68 36.104 9.990 1.930 1.00 18.56 H new ATOM 0 HE3 LYS C 68 36.304 8.571 2.939 1.00 18.56 H new ATOM 0 HZ1 LYS C 68 38.299 9.032 1.670 1.00 20.10 H new ATOM 0 HZ2 LYS C 68 37.635 7.546 1.187 1.00 20.10 H new ATOM 0 HZ3 LYS C 68 37.441 8.921 0.209 1.00 20.10 H new ATOM 1330 N MET C 69 33.006 6.283 0.265 1.00 8.97 N ATOM 1331 CA MET C 69 33.743 5.046 0.054 1.00 7.65 C ATOM 1332 C MET C 69 33.055 4.187 -1.002 1.00 5.51 C ATOM 1333 O MET C 69 33.706 3.611 -1.872 1.00 5.31 O ATOM 1334 CB MET C 69 33.862 4.270 1.367 1.00 7.19 C ATOM 1335 CG MET C 69 34.461 2.883 1.204 1.00 6.01 C ATOM 1336 SD MET C 69 33.219 1.631 0.829 1.00 5.34 S ATOM 1337 CE MET C 69 32.555 1.310 2.462 1.00 7.43 C ATOM 0 H MET C 69 32.542 6.347 1.171 1.00 8.97 H new ATOM 0 HA MET C 69 34.743 5.297 -0.299 1.00 7.65 H new ATOM 0 HB2 MET C 69 34.476 4.842 2.063 1.00 7.19 H new ATOM 0 HB3 MET C 69 32.873 4.179 1.816 1.00 7.19 H new ATOM 0 HG2 MET C 69 35.203 2.903 0.406 1.00 6.01 H new ATOM 0 HG3 MET C 69 34.984 2.607 2.120 1.00 6.01 H new ATOM 0 HE1 MET C 69 31.714 0.621 2.384 1.00 7.43 H new ATOM 0 HE2 MET C 69 33.329 0.868 3.089 1.00 7.43 H new ATOM 0 HE3 MET C 69 32.217 2.246 2.908 1.00 7.43 H new ATOM 1347 N VAL C 70 31.729 4.113 -0.918 1.00 4.86 N ATOM 1348 CA VAL C 70 30.944 3.334 -1.865 1.00 3.80 C ATOM 1349 C VAL C 70 30.962 3.988 -3.244 1.00 5.47 C ATOM 1350 O VAL C 70 30.929 3.303 -4.266 1.00 5.89 O ATOM 1351 CB VAL C 70 29.486 3.166 -1.373 1.00 3.82 C ATOM 1352 CG1 VAL C 70 28.574 2.626 -2.470 1.00 3.12 C ATOM 1353 CG2 VAL C 70 29.450 2.255 -0.159 1.00 3.61 C ATOM 0 H VAL C 70 31.177 4.585 -0.202 1.00 4.86 H new ATOM 0 HA VAL C 70 31.396 2.345 -1.940 1.00 3.80 H new ATOM 0 HB VAL C 70 29.113 4.152 -1.096 1.00 3.82 H new ATOM 0 HG11 VAL C 70 27.560 2.523 -2.083 1.00 3.12 H new ATOM 0 HG12 VAL C 70 28.572 3.316 -3.314 1.00 3.12 H new ATOM 0 HG13 VAL C 70 28.937 1.652 -2.799 1.00 3.12 H new ATOM 0 HG21 VAL C 70 28.420 2.142 0.181 1.00 3.61 H new ATOM 0 HG22 VAL C 70 29.853 1.278 -0.425 1.00 3.61 H new ATOM 0 HG23 VAL C 70 30.050 2.690 0.640 1.00 3.61 H new ATOM 1363 N PHE C 71 31.020 5.314 -3.263 1.00 7.29 N ATOM 1364 CA PHE C 71 31.049 6.049 -4.519 1.00 9.57 C ATOM 1365 C PHE C 71 32.201 5.562 -5.391 1.00 9.32 C ATOM 1366 O PHE C 71 31.992 5.107 -6.515 1.00 10.47 O ATOM 1367 CB PHE C 71 31.182 7.551 -4.261 1.00 11.89 C ATOM 1368 CG PHE C 71 31.415 8.356 -5.508 1.00 13.21 C ATOM 1369 CD1 PHE C 71 30.684 8.085 -6.675 1.00 12.45 C ATOM 1370 CD2 PHE C 71 32.368 9.382 -5.530 1.00 15.41 C ATOM 1371 CE1 PHE C 71 30.901 8.828 -7.840 1.00 13.86 C ATOM 1372 CE2 PHE C 71 32.590 10.127 -6.692 1.00 16.96 C ATOM 1373 CZ PHE C 71 31.855 9.848 -7.847 1.00 16.18 C ATOM 0 H PHE C 71 31.048 5.899 -2.428 1.00 7.29 H new ATOM 0 HA PHE C 71 30.110 5.869 -5.043 1.00 9.57 H new ATOM 0 HB2 PHE C 71 30.276 7.909 -3.771 1.00 11.89 H new ATOM 0 HB3 PHE C 71 32.007 7.721 -3.569 1.00 11.89 H new ATOM 0 HD1 PHE C 71 29.947 7.295 -6.673 1.00 12.45 H new ATOM 0 HD2 PHE C 71 32.938 9.600 -4.639 1.00 15.41 H new ATOM 0 HE1 PHE C 71 30.332 8.613 -8.732 1.00 13.86 H new ATOM 0 HE2 PHE C 71 33.328 10.916 -6.697 1.00 16.96 H new ATOM 0 HZ PHE C 71 32.025 10.422 -8.746 1.00 16.18 H new ATOM 1383 N ASP C 72 33.418 5.657 -4.864 1.00 8.28 N ATOM 1384 CA ASP C 72 34.601 5.221 -5.597 1.00 8.04 C ATOM 1385 C ASP C 72 34.427 3.792 -6.098 1.00 7.01 C ATOM 1386 O ASP C 72 34.628 3.511 -7.280 1.00 6.98 O ATOM 1387 CB ASP C 72 35.843 5.318 -4.709 1.00 7.03 C ATOM 1388 CG ASP C 72 37.115 4.970 -5.456 1.00 7.65 C ATOM 1389 OD1 ASP C 72 37.331 5.528 -6.552 1.00 8.39 O ATOM 1390 OD2 ASP C 72 37.896 4.139 -4.945 1.00 7.65 O ATOM 0 H ASP C 72 33.610 6.031 -3.935 1.00 8.28 H new ATOM 0 HA ASP C 72 34.730 5.877 -6.458 1.00 8.04 H new ATOM 0 HB2 ASP C 72 35.924 6.329 -4.311 1.00 7.03 H new ATOM 0 HB3 ASP C 72 35.730 4.648 -3.857 1.00 7.03 H new ATOM 1395 N THR C 73 34.046 2.892 -5.196 1.00 7.13 N ATOM 1396 CA THR C 73 33.841 1.495 -5.559 1.00 7.74 C ATOM 1397 C THR C 73 32.812 1.385 -6.678 1.00 10.76 C ATOM 1398 O THR C 73 33.151 1.068 -7.819 1.00 12.15 O ATOM 1399 CB THR C 73 33.386 0.685 -4.338 1.00 6.83 C ATOM 1400 OG1 THR C 73 34.447 0.538 -3.412 1.00 6.83 O ATOM 1401 CG2 THR C 73 32.883 -0.705 -4.681 1.00 7.57 C ATOM 0 H THR C 73 33.874 3.104 -4.213 1.00 7.13 H new ATOM 0 HA THR C 73 34.788 1.087 -5.913 1.00 7.74 H new ATOM 0 HB THR C 73 32.559 1.254 -3.912 1.00 6.83 H new ATOM 0 HG1 THR C 73 34.534 -0.405 -3.161 1.00 6.83 H new ATOM 0 HG21 THR C 73 32.579 -1.218 -3.768 1.00 7.57 H new ATOM 0 HG22 THR C 73 32.030 -0.627 -5.355 1.00 7.57 H new ATOM 0 HG23 THR C 73 33.678 -1.270 -5.167 1.00 7.57 H new ATOM 1409 N LEU C 74 31.552 1.649 -6.343 1.00 11.96 N ATOM 1410 CA LEU C 74 30.474 1.580 -7.321 1.00 14.86 C ATOM 1411 C LEU C 74 30.829 2.356 -8.584 1.00 16.44 C ATOM 1412 O LEU C 74 30.511 1.934 -9.695 1.00 18.67 O ATOM 1413 CB LEU C 74 29.174 2.119 -6.721 1.00 15.76 C ATOM 1414 CG LEU C 74 28.539 1.237 -5.642 1.00 15.73 C ATOM 1415 CD1 LEU C 74 27.084 1.622 -5.438 1.00 18.08 C ATOM 1416 CD2 LEU C 74 28.657 -0.239 -6.007 1.00 15.70 C ATOM 0 H LEU C 74 31.254 1.912 -5.404 1.00 11.96 H new ATOM 0 HA LEU C 74 30.332 0.534 -7.591 1.00 14.86 H new ATOM 0 HB2 LEU C 74 29.370 3.103 -6.295 1.00 15.76 H new ATOM 0 HB3 LEU C 74 28.452 2.258 -7.525 1.00 15.76 H new ATOM 0 HG LEU C 74 29.077 1.397 -4.708 1.00 15.73 H new ATOM 0 HD11 LEU C 74 26.644 0.988 -4.668 1.00 18.08 H new ATOM 0 HD12 LEU C 74 27.024 2.665 -5.127 1.00 18.08 H new ATOM 0 HD13 LEU C 74 26.538 1.490 -6.372 1.00 18.08 H new ATOM 0 HD21 LEU C 74 28.199 -0.845 -5.225 1.00 15.70 H new ATOM 0 HD22 LEU C 74 28.148 -0.422 -6.953 1.00 15.70 H new ATOM 0 HD23 LEU C 74 29.709 -0.507 -6.104 1.00 15.70 H new ATOM 1428 N LYS C 75 31.499 3.489 -8.406 1.00 15.63 N ATOM 1429 CA LYS C 75 31.907 4.316 -9.533 1.00 17.53 C ATOM 1430 C LYS C 75 32.715 3.494 -10.528 1.00 17.24 C ATOM 1431 O LYS C 75 32.263 3.215 -11.638 1.00 18.98 O ATOM 1432 CB LYS C 75 32.741 5.502 -9.048 1.00 17.56 C ATOM 1433 CG LYS C 75 33.325 6.340 -10.173 1.00 17.59 C ATOM 1434 CD LYS C 75 33.708 7.729 -9.691 1.00 18.41 C ATOM 1435 CE LYS C 75 35.215 7.876 -9.558 1.00 19.75 C ATOM 1436 NZ LYS C 75 35.596 8.546 -8.284 1.00 19.67 N ATOM 0 H LYS C 75 31.770 3.854 -7.493 1.00 15.63 H new ATOM 0 HA LYS C 75 31.010 4.690 -10.026 1.00 17.53 H new ATOM 0 HB2 LYS C 75 32.119 6.138 -8.418 1.00 17.56 H new ATOM 0 HB3 LYS C 75 33.554 5.132 -8.423 1.00 17.56 H new ATOM 0 HG2 LYS C 75 34.203 5.841 -10.582 1.00 17.59 H new ATOM 0 HG3 LYS C 75 32.599 6.422 -10.982 1.00 17.59 H new ATOM 0 HD2 LYS C 75 33.329 8.475 -10.389 1.00 18.41 H new ATOM 0 HD3 LYS C 75 33.236 7.924 -8.728 1.00 18.41 H new ATOM 0 HE2 LYS C 75 35.681 6.892 -9.605 1.00 19.75 H new ATOM 0 HE3 LYS C 75 35.600 8.451 -10.400 1.00 19.75 H new ATOM 0 HZ1 LYS C 75 36.631 8.628 -8.231 1.00 19.67 H new ATOM 0 HZ2 LYS C 75 35.172 9.495 -8.250 1.00 19.67 H new ATOM 0 HZ3 LYS C 75 35.251 7.984 -7.480 1.00 19.67 H new ATOM 1450 N ASP C 76 33.914 3.108 -10.112 1.00 15.04 N ATOM 1451 CA ASP C 76 34.798 2.313 -10.952 1.00 14.52 C ATOM 1452 C ASP C 76 34.171 0.961 -11.282 1.00 14.85 C ATOM 1453 O ASP C 76 34.499 0.346 -12.296 1.00 15.50 O ATOM 1454 CB ASP C 76 36.143 2.106 -10.253 1.00 11.92 C ATOM 1455 CG ASP C 76 37.030 3.333 -10.333 1.00 11.21 C ATOM 1456 OD1 ASP C 76 36.643 4.382 -9.776 1.00 10.69 O ATOM 1457 OD2 ASP C 76 38.111 3.245 -10.953 1.00 11.58 O ATOM 0 H ASP C 76 34.297 3.334 -9.194 1.00 15.04 H new ATOM 0 HA ASP C 76 34.956 2.855 -11.885 1.00 14.52 H new ATOM 0 HB2 ASP C 76 35.971 1.853 -9.207 1.00 11.92 H new ATOM 0 HB3 ASP C 76 36.658 1.258 -10.705 1.00 11.92 H new ATOM 1462 N LEU C 77 33.269 0.504 -10.418 1.00 14.76 N ATOM 1463 CA LEU C 77 32.599 -0.776 -10.618 1.00 15.84 C ATOM 1464 C LEU C 77 31.599 -0.690 -11.768 1.00 18.31 C ATOM 1465 O LEU C 77 31.773 -1.335 -12.801 1.00 19.11 O ATOM 1466 CB LEU C 77 31.906 -1.211 -9.320 1.00 16.35 C ATOM 1467 CG LEU C 77 30.786 -2.250 -9.464 1.00 18.29 C ATOM 1468 CD1 LEU C 77 31.132 -3.288 -10.521 1.00 18.20 C ATOM 1469 CD2 LEU C 77 30.517 -2.924 -8.127 1.00 18.93 C ATOM 0 H LEU C 77 32.986 1.001 -9.573 1.00 14.76 H new ATOM 0 HA LEU C 77 33.345 -1.525 -10.883 1.00 15.84 H new ATOM 0 HB2 LEU C 77 32.662 -1.614 -8.647 1.00 16.35 H new ATOM 0 HB3 LEU C 77 31.491 -0.325 -8.840 1.00 16.35 H new ATOM 0 HG LEU C 77 29.883 -1.731 -9.786 1.00 18.29 H new ATOM 0 HD11 LEU C 77 30.320 -4.011 -10.601 1.00 18.20 H new ATOM 0 HD12 LEU C 77 31.274 -2.795 -11.483 1.00 18.20 H new ATOM 0 HD13 LEU C 77 32.050 -3.803 -10.238 1.00 18.20 H new ATOM 0 HD21 LEU C 77 29.720 -3.659 -8.244 1.00 18.93 H new ATOM 0 HD22 LEU C 77 31.423 -3.423 -7.782 1.00 18.93 H new ATOM 0 HD23 LEU C 77 30.215 -2.174 -7.396 1.00 18.93 H new ATOM 1481 N TYR C 78 30.556 0.113 -11.586 1.00 19.66 N ATOM 1482 CA TYR C 78 29.541 0.276 -12.619 1.00 22.16 C ATOM 1483 C TYR C 78 30.185 0.647 -13.949 1.00 23.82 C ATOM 1484 O TYR C 78 29.694 0.272 -15.014 1.00 25.83 O ATOM 1485 CB TYR C 78 28.528 1.348 -12.213 1.00 22.58 C ATOM 1486 CG TYR C 78 27.667 0.958 -11.032 1.00 22.93 C ATOM 1487 CD1 TYR C 78 27.267 -0.376 -10.838 1.00 23.84 C ATOM 1488 CD2 TYR C 78 27.245 1.922 -10.101 1.00 22.57 C ATOM 1489 CE1 TYR C 78 26.471 -0.737 -9.748 1.00 24.22 C ATOM 1490 CE2 TYR C 78 26.448 1.568 -9.009 1.00 23.17 C ATOM 1491 CZ TYR C 78 26.065 0.238 -8.838 1.00 23.91 C ATOM 1492 OH TYR C 78 25.280 -0.114 -7.765 1.00 24.54 O ATOM 0 H TYR C 78 30.392 0.657 -10.739 1.00 19.66 H new ATOM 0 HA TYR C 78 29.019 -0.674 -12.735 1.00 22.16 H new ATOM 0 HB2 TYR C 78 29.062 2.267 -11.973 1.00 22.58 H new ATOM 0 HB3 TYR C 78 27.883 1.567 -13.064 1.00 22.58 H new ATOM 0 HD1 TYR C 78 27.580 -1.133 -11.542 1.00 23.84 H new ATOM 0 HD2 TYR C 78 27.541 2.952 -10.231 1.00 22.57 H new ATOM 0 HE1 TYR C 78 26.172 -1.766 -9.611 1.00 24.22 H new ATOM 0 HE2 TYR C 78 26.131 2.320 -8.302 1.00 23.17 H new ATOM 0 HH TYR C 78 24.345 0.108 -7.957 1.00 24.54 H new ATOM 1502 N LYS C 79 31.292 1.381 -13.880 1.00 23.04 N ATOM 1503 CA LYS C 79 32.006 1.794 -15.081 1.00 24.48 C ATOM 1504 C LYS C 79 32.436 0.580 -15.893 1.00 25.87 C ATOM 1505 O LYS C 79 32.448 0.615 -17.123 1.00 27.44 O ATOM 1506 CB LYS C 79 33.228 2.639 -14.714 1.00 23.52 C ATOM 1507 CG LYS C 79 33.671 3.579 -15.823 1.00 23.44 C ATOM 1508 CD LYS C 79 35.003 4.237 -15.500 1.00 23.38 C ATOM 1509 CE LYS C 79 34.919 5.079 -14.238 1.00 22.89 C ATOM 1510 NZ LYS C 79 35.760 6.305 -14.330 1.00 23.78 N ATOM 0 H LYS C 79 31.712 1.701 -13.007 1.00 23.04 H new ATOM 0 HA LYS C 79 31.331 2.398 -15.687 1.00 24.48 H new ATOM 0 HB2 LYS C 79 33.001 3.223 -13.822 1.00 23.52 H new ATOM 0 HB3 LYS C 79 34.055 1.976 -14.459 1.00 23.52 H new ATOM 0 HG2 LYS C 79 33.755 3.025 -16.758 1.00 23.44 H new ATOM 0 HG3 LYS C 79 32.912 4.347 -15.975 1.00 23.44 H new ATOM 0 HD2 LYS C 79 35.768 3.470 -15.376 1.00 23.38 H new ATOM 0 HD3 LYS C 79 35.312 4.864 -16.336 1.00 23.38 H new ATOM 0 HE2 LYS C 79 33.882 5.363 -14.060 1.00 22.89 H new ATOM 0 HE3 LYS C 79 35.238 4.484 -13.383 1.00 22.89 H new ATOM 0 HZ1 LYS C 79 35.675 6.851 -13.449 1.00 23.78 H new ATOM 0 HZ2 LYS C 79 36.754 6.034 -14.475 1.00 23.78 H new ATOM 0 HZ3 LYS C 79 35.440 6.886 -15.131 1.00 23.78 H new ATOM 1524 N LYS C 80 32.790 -0.497 -15.197 1.00 25.41 N ATOM 1525 CA LYS C 80 33.216 -1.722 -15.857 1.00 26.63 C ATOM 1526 C LYS C 80 32.042 -2.399 -16.558 1.00 28.72 C ATOM 1527 O LYS C 80 32.218 -3.089 -17.562 1.00 30.36 O ATOM 1528 CB LYS C 80 33.843 -2.683 -14.846 1.00 25.08 C ATOM 1529 CG LYS C 80 34.367 -3.965 -15.474 1.00 23.51 C ATOM 1530 CD LYS C 80 35.603 -4.476 -14.751 1.00 21.37 C ATOM 1531 CE LYS C 80 35.374 -5.861 -14.169 1.00 20.27 C ATOM 1532 NZ LYS C 80 36.289 -6.143 -13.030 1.00 19.73 N ATOM 0 H LYS C 80 32.789 -0.544 -14.178 1.00 25.41 H new ATOM 0 HA LYS C 80 33.962 -1.459 -16.607 1.00 26.63 H new ATOM 0 HB2 LYS C 80 34.662 -2.177 -14.335 1.00 25.08 H new ATOM 0 HB3 LYS C 80 33.101 -2.935 -14.088 1.00 25.08 H new ATOM 0 HG2 LYS C 80 33.589 -4.728 -15.449 1.00 23.51 H new ATOM 0 HG3 LYS C 80 34.605 -3.787 -16.523 1.00 23.51 H new ATOM 0 HD2 LYS C 80 36.445 -4.505 -15.443 1.00 21.37 H new ATOM 0 HD3 LYS C 80 35.871 -3.784 -13.952 1.00 21.37 H new ATOM 0 HE2 LYS C 80 34.340 -5.948 -13.834 1.00 20.27 H new ATOM 0 HE3 LYS C 80 35.521 -6.610 -14.947 1.00 20.27 H new ATOM 0 HZ1 LYS C 80 36.101 -7.097 -12.661 1.00 19.73 H new ATOM 0 HZ2 LYS C 80 37.275 -6.086 -13.355 1.00 19.73 H new ATOM 0 HZ3 LYS C 80 36.131 -5.444 -12.277 1.00 19.73 H new ATOM 1546 N THR C 81 30.842 -2.193 -16.022 1.00 28.82 N ATOM 1547 CA THR C 81 29.635 -2.779 -16.594 1.00 30.96 C ATOM 1548 C THR C 81 29.272 -2.103 -17.912 1.00 33.51 C ATOM 1549 O THR C 81 28.802 -2.752 -18.847 1.00 34.70 O ATOM 1550 CB THR C 81 28.473 -2.662 -15.610 1.00 31.04 C ATOM 1551 OG1 THR C 81 28.899 -2.066 -14.399 1.00 29.31 O ATOM 1552 CG2 THR C 81 27.839 -3.993 -15.268 1.00 30.68 C ATOM 0 H THR C 81 30.680 -1.624 -15.191 1.00 28.82 H new ATOM 0 HA THR C 81 29.831 -3.833 -16.791 1.00 30.96 H new ATOM 0 HB THR C 81 27.730 -2.044 -16.115 1.00 31.04 H new ATOM 0 HG1 THR C 81 28.560 -2.587 -13.641 1.00 29.31 H new ATOM 0 HG21 THR C 81 27.021 -3.836 -14.565 1.00 30.68 H new ATOM 0 HG22 THR C 81 27.453 -4.456 -16.176 1.00 30.68 H new ATOM 0 HG23 THR C 81 28.586 -4.646 -14.816 1.00 30.68 H new ATOM 1616 N ASP D 54 26.711 7.018 -17.313 1.00 33.92 N ATOM 1617 CA ASP D 54 25.616 6.412 -16.564 1.00 31.17 C ATOM 1618 C ASP D 54 26.138 5.695 -15.323 1.00 30.51 C ATOM 1619 O ASP D 54 25.455 5.626 -14.302 1.00 29.43 O ATOM 1620 CB ASP D 54 24.848 5.431 -17.451 1.00 30.77 C ATOM 1621 CG ASP D 54 23.934 6.137 -18.434 1.00 29.14 C ATOM 1622 OD1 ASP D 54 24.416 7.038 -19.152 1.00 29.52 O ATOM 1623 OD2 ASP D 54 22.736 5.788 -18.486 1.00 27.62 O ATOM 0 HA ASP D 54 24.942 7.206 -16.244 1.00 31.17 H new ATOM 0 HB2 ASP D 54 25.556 4.809 -17.999 1.00 30.77 H new ATOM 0 HB3 ASP D 54 24.257 4.764 -16.824 1.00 30.77 H new ATOM 1628 N ALA D 55 27.353 5.163 -15.419 1.00 31.22 N ATOM 1629 CA ALA D 55 27.964 4.453 -14.303 1.00 30.74 C ATOM 1630 C ALA D 55 28.178 5.387 -13.116 1.00 28.74 C ATOM 1631 O ALA D 55 27.891 5.031 -11.973 1.00 27.17 O ATOM 1632 CB ALA D 55 29.283 3.830 -14.733 1.00 33.04 C ATOM 0 H ALA D 55 27.932 5.211 -16.257 1.00 31.22 H new ATOM 0 HA ALA D 55 27.286 3.658 -13.991 1.00 30.74 H new ATOM 0 HB1 ALA D 55 29.728 3.303 -13.889 1.00 33.04 H new ATOM 0 HB2 ALA D 55 29.105 3.127 -15.547 1.00 33.04 H new ATOM 0 HB3 ALA D 55 29.962 4.613 -15.071 1.00 33.04 H new ATOM 1638 N GLU D 56 28.682 6.585 -13.396 1.00 28.97 N ATOM 1639 CA GLU D 56 28.930 7.575 -12.354 1.00 27.40 C ATOM 1640 C GLU D 56 27.622 8.026 -11.716 1.00 24.97 C ATOM 1641 O GLU D 56 27.491 8.052 -10.493 1.00 24.71 O ATOM 1642 CB GLU D 56 29.670 8.781 -12.936 1.00 28.69 C ATOM 1643 CG GLU D 56 30.870 9.220 -12.112 1.00 30.23 C ATOM 1644 CD GLU D 56 32.050 9.626 -12.974 1.00 30.95 C ATOM 1645 OE1 GLU D 56 32.167 9.106 -14.104 1.00 30.88 O ATOM 1646 OE2 GLU D 56 32.857 10.463 -12.520 1.00 31.67 O ATOM 0 H GLU D 56 28.927 6.894 -14.337 1.00 28.97 H new ATOM 0 HA GLU D 56 29.550 7.114 -11.585 1.00 27.40 H new ATOM 0 HB2 GLU D 56 30.003 8.539 -13.945 1.00 28.69 H new ATOM 0 HB3 GLU D 56 28.974 9.616 -13.021 1.00 28.69 H new ATOM 0 HG2 GLU D 56 30.583 10.058 -11.477 1.00 30.23 H new ATOM 0 HG3 GLU D 56 31.170 8.407 -11.451 1.00 30.23 H new ATOM 1653 N ARG D 57 26.652 8.378 -12.555 1.00 23.35 N ATOM 1654 CA ARG D 57 25.351 8.827 -12.076 1.00 20.95 C ATOM 1655 C ARG D 57 24.705 7.768 -11.189 1.00 18.85 C ATOM 1656 O ARG D 57 23.998 8.089 -10.234 1.00 17.71 O ATOM 1657 CB ARG D 57 24.433 9.146 -13.257 1.00 20.23 C ATOM 1658 CG ARG D 57 24.813 10.417 -13.998 1.00 21.76 C ATOM 1659 CD ARG D 57 23.643 10.963 -14.800 1.00 21.08 C ATOM 1660 NE ARG D 57 24.026 12.113 -15.615 1.00 23.21 N ATOM 1661 CZ ARG D 57 23.181 12.771 -16.400 1.00 23.92 C ATOM 1662 NH1 ARG D 57 21.912 12.391 -16.478 1.00 22.85 N ATOM 1663 NH2 ARG D 57 23.602 13.808 -17.111 1.00 25.95 N ATOM 0 H ARG D 57 26.744 8.360 -13.571 1.00 23.35 H new ATOM 0 HA ARG D 57 25.500 9.731 -11.485 1.00 20.95 H new ATOM 0 HB2 ARG D 57 24.450 8.309 -13.956 1.00 20.23 H new ATOM 0 HB3 ARG D 57 23.409 9.239 -12.895 1.00 20.23 H new ATOM 0 HG2 ARG D 57 25.149 11.169 -13.284 1.00 21.76 H new ATOM 0 HG3 ARG D 57 25.650 10.214 -14.666 1.00 21.76 H new ATOM 0 HD2 ARG D 57 23.248 10.178 -15.444 1.00 21.08 H new ATOM 0 HD3 ARG D 57 22.841 11.252 -14.120 1.00 21.08 H new ATOM 0 HE ARG D 57 24.996 12.428 -15.579 1.00 23.21 H new ATOM 0 HH11 ARG D 57 21.584 11.592 -15.934 1.00 22.85 H new ATOM 0 HH12 ARG D 57 21.264 12.897 -17.081 1.00 22.85 H new ATOM 0 HH21 ARG D 57 24.577 14.102 -17.056 1.00 25.95 H new ATOM 0 HH22 ARG D 57 22.951 14.312 -17.713 1.00 25.95 H new ATOM 1677 N LEU D 58 24.952 6.503 -11.514 1.00 18.51 N ATOM 1678 CA LEU D 58 24.394 5.395 -10.749 1.00 16.55 C ATOM 1679 C LEU D 58 25.002 5.337 -9.353 1.00 16.20 C ATOM 1680 O LEU D 58 24.294 5.440 -8.352 1.00 15.30 O ATOM 1681 CB LEU D 58 24.636 4.072 -11.478 1.00 15.77 C ATOM 1682 CG LEU D 58 23.597 3.720 -12.543 1.00 15.50 C ATOM 1683 CD1 LEU D 58 24.092 2.577 -13.415 1.00 16.17 C ATOM 1684 CD2 LEU D 58 22.271 3.358 -11.891 1.00 13.46 C ATOM 0 H LEU D 58 25.535 6.220 -12.302 1.00 18.51 H new ATOM 0 HA LEU D 58 23.321 5.558 -10.652 1.00 16.55 H new ATOM 0 HB2 LEU D 58 25.618 4.109 -11.949 1.00 15.77 H new ATOM 0 HB3 LEU D 58 24.665 3.269 -10.741 1.00 15.77 H new ATOM 0 HG LEU D 58 23.444 4.593 -13.177 1.00 15.50 H new ATOM 0 HD11 LEU D 58 23.339 2.341 -14.167 1.00 16.17 H new ATOM 0 HD12 LEU D 58 25.018 2.871 -13.909 1.00 16.17 H new ATOM 0 HD13 LEU D 58 24.274 1.699 -12.795 1.00 16.17 H new ATOM 0 HD21 LEU D 58 21.542 3.110 -12.662 1.00 13.46 H new ATOM 0 HD22 LEU D 58 22.411 2.499 -11.234 1.00 13.46 H new ATOM 0 HD23 LEU D 58 21.909 4.205 -11.308 1.00 13.46 H new ATOM 1696 N ALA D 59 26.319 5.176 -9.298 1.00 17.01 N ATOM 1697 CA ALA D 59 27.038 5.105 -8.030 1.00 16.93 C ATOM 1698 C ALA D 59 26.581 6.204 -7.079 1.00 17.82 C ATOM 1699 O ALA D 59 26.522 6.005 -5.865 1.00 18.16 O ATOM 1700 CB ALA D 59 28.536 5.200 -8.272 1.00 17.26 C ATOM 0 H ALA D 59 26.914 5.092 -10.122 1.00 17.01 H new ATOM 0 HA ALA D 59 26.816 4.145 -7.564 1.00 16.93 H new ATOM 0 HB1 ALA D 59 29.063 5.146 -7.319 1.00 17.26 H new ATOM 0 HB2 ALA D 59 28.855 4.376 -8.910 1.00 17.26 H new ATOM 0 HB3 ALA D 59 28.766 6.147 -8.761 1.00 17.26 H new ATOM 1706 N ASP D 60 26.255 7.362 -7.640 1.00 18.49 N ATOM 1707 CA ASP D 60 25.798 8.493 -6.843 1.00 19.66 C ATOM 1708 C ASP D 60 24.498 8.152 -6.124 1.00 18.10 C ATOM 1709 O ASP D 60 24.365 8.374 -4.920 1.00 18.63 O ATOM 1710 CB ASP D 60 25.597 9.725 -7.728 1.00 21.53 C ATOM 1711 CG ASP D 60 25.039 10.905 -6.957 1.00 21.83 C ATOM 1712 OD1 ASP D 60 25.837 11.652 -6.355 1.00 22.67 O ATOM 1713 OD2 ASP D 60 23.802 11.081 -6.956 1.00 21.40 O ATOM 0 H ASP D 60 26.299 7.542 -8.643 1.00 18.49 H new ATOM 0 HA ASP D 60 26.562 8.715 -6.098 1.00 19.66 H new ATOM 0 HB2 ASP D 60 26.550 10.006 -8.177 1.00 21.53 H new ATOM 0 HB3 ASP D 60 24.920 9.476 -8.545 1.00 21.53 H new ATOM 1718 N GLU D 61 23.544 7.603 -6.869 1.00 16.35 N ATOM 1719 CA GLU D 61 22.257 7.223 -6.302 1.00 15.08 C ATOM 1720 C GLU D 61 22.438 6.157 -5.227 1.00 13.37 C ATOM 1721 O GLU D 61 21.699 6.120 -4.244 1.00 12.99 O ATOM 1722 CB GLU D 61 21.324 6.707 -7.399 1.00 14.46 C ATOM 1723 CG GLU D 61 21.052 7.728 -8.492 1.00 14.51 C ATOM 1724 CD GLU D 61 20.308 7.136 -9.672 1.00 14.75 C ATOM 1725 OE1 GLU D 61 19.993 5.927 -9.631 1.00 12.82 O ATOM 1726 OE2 GLU D 61 20.040 7.880 -10.639 1.00 16.96 O ATOM 0 H GLU D 61 23.639 7.412 -7.866 1.00 16.35 H new ATOM 0 HA GLU D 61 21.810 8.106 -5.845 1.00 15.08 H new ATOM 0 HB2 GLU D 61 21.761 5.815 -7.847 1.00 14.46 H new ATOM 0 HB3 GLU D 61 20.378 6.407 -6.949 1.00 14.46 H new ATOM 0 HG2 GLU D 61 20.471 8.552 -8.078 1.00 14.51 H new ATOM 0 HG3 GLU D 61 21.998 8.146 -8.837 1.00 14.51 H new ATOM 1733 N GLN D 62 23.432 5.295 -5.421 1.00 12.61 N ATOM 1734 CA GLN D 62 23.717 4.232 -4.465 1.00 11.57 C ATOM 1735 C GLN D 62 24.340 4.802 -3.195 1.00 10.47 C ATOM 1736 O GLN D 62 23.908 4.491 -2.086 1.00 9.86 O ATOM 1737 CB GLN D 62 24.658 3.194 -5.080 1.00 12.19 C ATOM 1738 CG GLN D 62 24.397 2.912 -6.552 1.00 14.49 C ATOM 1739 CD GLN D 62 22.921 2.791 -6.878 1.00 14.26 C ATOM 1740 OE1 GLN D 62 22.081 2.683 -5.985 1.00 13.70 O ATOM 1741 NE2 GLN D 62 22.600 2.806 -8.167 1.00 15.14 N ATOM 0 H GLN D 62 24.052 5.312 -6.231 1.00 12.61 H new ATOM 0 HA GLN D 62 22.774 3.749 -4.209 1.00 11.57 H new ATOM 0 HB2 GLN D 62 25.686 3.538 -4.964 1.00 12.19 H new ATOM 0 HB3 GLN D 62 24.568 2.262 -4.521 1.00 12.19 H new ATOM 0 HG2 GLN D 62 24.832 3.711 -7.152 1.00 14.49 H new ATOM 0 HG3 GLN D 62 24.903 1.989 -6.835 1.00 14.49 H new ATOM 0 HE21 GLN D 62 23.330 2.897 -8.873 1.00 15.14 H new ATOM 0 HE22 GLN D 62 21.623 2.726 -8.450 1.00 15.14 H new ATOM 1750 N SER D 63 25.358 5.641 -3.366 1.00 10.74 N ATOM 1751 CA SER D 63 26.040 6.255 -2.233 1.00 10.47 C ATOM 1752 C SER D 63 25.039 6.931 -1.304 1.00 8.12 C ATOM 1753 O SER D 63 24.932 6.580 -0.128 1.00 7.23 O ATOM 1754 CB SER D 63 27.072 7.275 -2.719 1.00 12.57 C ATOM 1755 OG SER D 63 27.696 6.839 -3.913 1.00 13.11 O ATOM 0 H SER D 63 25.728 5.910 -4.278 1.00 10.74 H new ATOM 0 HA SER D 63 26.554 5.469 -1.680 1.00 10.47 H new ATOM 0 HB2 SER D 63 26.586 8.236 -2.889 1.00 12.57 H new ATOM 0 HB3 SER D 63 27.826 7.431 -1.947 1.00 12.57 H new ATOM 0 HG SER D 63 27.126 7.060 -4.679 1.00 13.11 H new ATOM 1761 N GLU D 64 24.305 7.902 -1.839 1.00 7.54 N ATOM 1762 CA GLU D 64 23.311 8.624 -1.062 1.00 5.40 C ATOM 1763 C GLU D 64 22.375 7.656 -0.347 1.00 3.67 C ATOM 1764 O GLU D 64 21.935 7.912 0.774 1.00 3.39 O ATOM 1765 CB GLU D 64 22.510 9.555 -1.972 1.00 5.55 C ATOM 1766 CG GLU D 64 21.733 8.824 -3.056 1.00 7.04 C ATOM 1767 CD GLU D 64 20.988 9.772 -3.976 1.00 8.02 C ATOM 1768 OE1 GLU D 64 21.339 10.971 -4.004 1.00 8.24 O ATOM 1769 OE2 GLU D 64 20.055 9.315 -4.669 1.00 8.58 O ATOM 0 H GLU D 64 24.382 8.205 -2.810 1.00 7.54 H new ATOM 0 HA GLU D 64 23.828 9.219 -0.309 1.00 5.40 H new ATOM 0 HB2 GLU D 64 21.814 10.133 -1.364 1.00 5.55 H new ATOM 0 HB3 GLU D 64 23.191 10.266 -2.441 1.00 5.55 H new ATOM 0 HG2 GLU D 64 22.421 8.217 -3.645 1.00 7.04 H new ATOM 0 HG3 GLU D 64 21.022 8.141 -2.591 1.00 7.04 H new ATOM 1776 N LEU D 65 22.077 6.539 -1.004 1.00 2.82 N ATOM 1777 CA LEU D 65 21.198 5.528 -0.431 1.00 2.23 C ATOM 1778 C LEU D 65 21.863 4.848 0.762 1.00 2.23 C ATOM 1779 O LEU D 65 21.221 4.596 1.781 1.00 2.88 O ATOM 1780 CB LEU D 65 20.823 4.486 -1.490 1.00 2.56 C ATOM 1781 CG LEU D 65 19.336 4.434 -1.847 1.00 4.22 C ATOM 1782 CD1 LEU D 65 19.153 4.127 -3.326 1.00 5.26 C ATOM 1783 CD2 LEU D 65 18.620 3.400 -0.993 1.00 4.37 C ATOM 0 H LEU D 65 22.432 6.312 -1.933 1.00 2.82 H new ATOM 0 HA LEU D 65 20.290 6.022 -0.085 1.00 2.23 H new ATOM 0 HB2 LEU D 65 21.392 4.690 -2.397 1.00 2.56 H new ATOM 0 HB3 LEU D 65 21.131 3.502 -1.135 1.00 2.56 H new ATOM 0 HG LEU D 65 18.898 5.411 -1.643 1.00 4.22 H new ATOM 0 HD11 LEU D 65 18.089 4.094 -3.562 1.00 5.26 H new ATOM 0 HD12 LEU D 65 19.633 4.904 -3.921 1.00 5.26 H new ATOM 0 HD13 LEU D 65 19.606 3.163 -3.556 1.00 5.26 H new ATOM 0 HD21 LEU D 65 17.563 3.376 -1.260 1.00 4.37 H new ATOM 0 HD22 LEU D 65 19.060 2.418 -1.165 1.00 4.37 H new ATOM 0 HD23 LEU D 65 18.722 3.664 0.060 1.00 4.37 H new ATOM 1795 N VAL D 66 23.154 4.557 0.629 1.00 2.24 N ATOM 1796 CA VAL D 66 23.904 3.909 1.698 1.00 2.70 C ATOM 1797 C VAL D 66 23.991 4.804 2.929 1.00 3.94 C ATOM 1798 O VAL D 66 23.968 4.322 4.061 1.00 4.62 O ATOM 1799 CB VAL D 66 25.331 3.545 1.243 1.00 5.24 C ATOM 1800 CG1 VAL D 66 26.018 2.673 2.283 1.00 6.04 C ATOM 1801 CG2 VAL D 66 25.299 2.852 -0.110 1.00 6.73 C ATOM 0 H VAL D 66 23.701 4.760 -0.208 1.00 2.24 H new ATOM 0 HA VAL D 66 23.366 2.996 1.952 1.00 2.70 H new ATOM 0 HB VAL D 66 25.906 4.465 1.140 1.00 5.24 H new ATOM 0 HG11 VAL D 66 27.024 2.426 1.944 1.00 6.04 H new ATOM 0 HG12 VAL D 66 26.076 3.212 3.229 1.00 6.04 H new ATOM 0 HG13 VAL D 66 25.447 1.755 2.423 1.00 6.04 H new ATOM 0 HG21 VAL D 66 26.315 2.603 -0.415 1.00 6.73 H new ATOM 0 HG22 VAL D 66 24.708 1.939 -0.037 1.00 6.73 H new ATOM 0 HG23 VAL D 66 24.851 3.517 -0.849 1.00 6.73 H new ATOM 1811 N LYS D 67 24.093 6.109 2.700 1.00 5.42 N ATOM 1812 CA LYS D 67 24.185 7.071 3.792 1.00 7.71 C ATOM 1813 C LYS D 67 22.919 7.055 4.640 1.00 8.74 C ATOM 1814 O LYS D 67 22.980 6.900 5.859 1.00 9.71 O ATOM 1815 CB LYS D 67 24.428 8.479 3.246 1.00 10.06 C ATOM 1816 CG LYS D 67 24.463 9.551 4.324 1.00 10.74 C ATOM 1817 CD LYS D 67 24.245 10.938 3.739 1.00 13.46 C ATOM 1818 CE LYS D 67 24.495 12.024 4.773 1.00 15.16 C ATOM 1819 NZ LYS D 67 25.549 12.979 4.330 1.00 17.19 N ATOM 0 H LYS D 67 24.114 6.524 1.769 1.00 5.42 H new ATOM 0 HA LYS D 67 25.027 6.784 4.422 1.00 7.71 H new ATOM 0 HB2 LYS D 67 25.373 8.491 2.702 1.00 10.06 H new ATOM 0 HB3 LYS D 67 23.644 8.722 2.529 1.00 10.06 H new ATOM 0 HG2 LYS D 67 23.695 9.344 5.069 1.00 10.74 H new ATOM 0 HG3 LYS D 67 25.423 9.519 4.839 1.00 10.74 H new ATOM 0 HD2 LYS D 67 24.911 11.084 2.888 1.00 13.46 H new ATOM 0 HD3 LYS D 67 23.225 11.020 3.363 1.00 13.46 H new ATOM 0 HE2 LYS D 67 23.569 12.567 4.961 1.00 15.16 H new ATOM 0 HE3 LYS D 67 24.793 11.566 5.716 1.00 15.16 H new ATOM 0 HZ1 LYS D 67 25.811 13.599 5.123 1.00 17.19 H new ATOM 0 HZ2 LYS D 67 26.386 12.450 4.013 1.00 17.19 H new ATOM 0 HZ3 LYS D 67 25.187 13.556 3.544 1.00 17.19 H new ATOM 1833 N LYS D 68 21.772 7.214 3.990 1.00 9.16 N ATOM 1834 CA LYS D 68 20.495 7.215 4.692 1.00 10.81 C ATOM 1835 C LYS D 68 20.312 5.920 5.476 1.00 10.65 C ATOM 1836 O LYS D 68 19.660 5.901 6.520 1.00 11.55 O ATOM 1837 CB LYS D 68 19.342 7.393 3.701 1.00 10.62 C ATOM 1838 CG LYS D 68 18.006 7.679 4.367 1.00 12.60 C ATOM 1839 CD LYS D 68 16.975 8.167 3.362 1.00 14.47 C ATOM 1840 CE LYS D 68 16.900 9.686 3.334 1.00 16.25 C ATOM 1841 NZ LYS D 68 17.050 10.225 1.954 1.00 17.55 N ATOM 0 H LYS D 68 21.700 7.344 2.981 1.00 9.16 H new ATOM 0 HA LYS D 68 20.491 8.050 5.392 1.00 10.81 H new ATOM 0 HB2 LYS D 68 19.582 8.210 3.021 1.00 10.62 H new ATOM 0 HB3 LYS D 68 19.251 6.491 3.096 1.00 10.62 H new ATOM 0 HG2 LYS D 68 17.641 6.775 4.855 1.00 12.60 H new ATOM 0 HG3 LYS D 68 18.140 8.430 5.146 1.00 12.60 H new ATOM 0 HD2 LYS D 68 17.229 7.796 2.369 1.00 14.47 H new ATOM 0 HD3 LYS D 68 15.997 7.758 3.615 1.00 14.47 H new ATOM 0 HE2 LYS D 68 15.945 10.010 3.748 1.00 16.25 H new ATOM 0 HE3 LYS D 68 17.681 10.100 3.972 1.00 16.25 H new ATOM 0 HZ1 LYS D 68 16.993 11.263 1.979 1.00 17.55 H new ATOM 0 HZ2 LYS D 68 17.972 9.938 1.567 1.00 17.55 H new ATOM 0 HZ3 LYS D 68 16.290 9.851 1.351 1.00 17.55 H new ATOM 1855 N MET D 69 20.895 4.841 4.965 1.00 10.08 N ATOM 1856 CA MET D 69 20.801 3.540 5.616 1.00 10.78 C ATOM 1857 C MET D 69 21.646 3.506 6.884 1.00 12.16 C ATOM 1858 O MET D 69 21.151 3.179 7.964 1.00 12.85 O ATOM 1859 CB MET D 69 21.251 2.438 4.657 1.00 8.94 C ATOM 1860 CG MET D 69 21.291 1.057 5.289 1.00 9.59 C ATOM 1861 SD MET D 69 21.984 -0.188 4.186 1.00 9.63 S ATOM 1862 CE MET D 69 23.640 0.451 3.953 1.00 8.00 C ATOM 0 H MET D 69 21.438 4.842 4.101 1.00 10.08 H new ATOM 0 HA MET D 69 19.760 3.370 5.892 1.00 10.78 H new ATOM 0 HB2 MET D 69 20.577 2.416 3.801 1.00 8.94 H new ATOM 0 HB3 MET D 69 22.243 2.683 4.276 1.00 8.94 H new ATOM 0 HG2 MET D 69 21.882 1.097 6.204 1.00 9.59 H new ATOM 0 HG3 MET D 69 20.281 0.763 5.575 1.00 9.59 H new ATOM 0 HE1 MET D 69 24.350 -0.376 3.939 1.00 8.00 H new ATOM 0 HE2 MET D 69 23.692 0.990 3.007 1.00 8.00 H new ATOM 0 HE3 MET D 69 23.887 1.128 4.771 1.00 8.00 H new ATOM 1872 N VAL D 70 22.924 3.846 6.749 1.00 12.65 N ATOM 1873 CA VAL D 70 23.835 3.854 7.886 1.00 14.05 C ATOM 1874 C VAL D 70 23.579 5.056 8.791 1.00 15.32 C ATOM 1875 O VAL D 70 23.957 5.052 9.963 1.00 15.34 O ATOM 1876 CB VAL D 70 25.305 3.865 7.425 1.00 12.80 C ATOM 1877 CG1 VAL D 70 26.245 3.872 8.623 1.00 13.24 C ATOM 1878 CG2 VAL D 70 25.586 2.670 6.526 1.00 10.77 C ATOM 0 H VAL D 70 23.351 4.119 5.864 1.00 12.65 H new ATOM 0 HA VAL D 70 23.648 2.940 8.450 1.00 14.05 H new ATOM 0 HB VAL D 70 25.481 4.776 6.853 1.00 12.80 H new ATOM 0 HG11 VAL D 70 27.278 3.880 8.275 1.00 13.24 H new ATOM 0 HG12 VAL D 70 26.059 4.760 9.226 1.00 13.24 H new ATOM 0 HG13 VAL D 70 26.072 2.981 9.226 1.00 13.24 H new ATOM 0 HG21 VAL D 70 26.628 2.691 6.208 1.00 10.77 H new ATOM 0 HG22 VAL D 70 25.393 1.748 7.075 1.00 10.77 H new ATOM 0 HG23 VAL D 70 24.939 2.713 5.650 1.00 10.77 H new ATOM 1888 N PHE D 71 22.929 6.082 8.245 1.00 16.72 N ATOM 1889 CA PHE D 71 22.620 7.283 9.012 1.00 18.45 C ATOM 1890 C PHE D 71 21.641 6.965 10.136 1.00 19.77 C ATOM 1891 O PHE D 71 21.861 7.334 11.289 1.00 19.93 O ATOM 1892 CB PHE D 71 22.035 8.363 8.101 1.00 20.31 C ATOM 1893 CG PHE D 71 21.643 9.615 8.832 1.00 21.80 C ATOM 1894 CD1 PHE D 71 20.449 9.668 9.563 1.00 23.15 C ATOM 1895 CD2 PHE D 71 22.466 10.749 8.797 1.00 22.06 C ATOM 1896 CE1 PHE D 71 20.082 10.830 10.248 1.00 24.70 C ATOM 1897 CE2 PHE D 71 22.105 11.915 9.479 1.00 23.74 C ATOM 1898 CZ PHE D 71 20.912 11.955 10.205 1.00 25.04 C ATOM 0 H PHE D 71 22.608 6.104 7.277 1.00 16.72 H new ATOM 0 HA PHE D 71 23.546 7.655 9.450 1.00 18.45 H new ATOM 0 HB2 PHE D 71 22.766 8.614 7.333 1.00 20.31 H new ATOM 0 HB3 PHE D 71 21.160 7.961 7.590 1.00 20.31 H new ATOM 0 HD1 PHE D 71 19.805 8.802 9.598 1.00 23.15 H new ATOM 0 HD2 PHE D 71 23.389 10.722 8.237 1.00 22.06 H new ATOM 0 HE1 PHE D 71 19.160 10.859 10.809 1.00 24.70 H new ATOM 0 HE2 PHE D 71 22.747 12.783 9.445 1.00 23.74 H new ATOM 0 HZ PHE D 71 20.631 12.854 10.733 1.00 25.04 H new ATOM 1908 N ASP D 72 20.559 6.272 9.792 1.00 20.94 N ATOM 1909 CA ASP D 72 19.548 5.899 10.771 1.00 22.67 C ATOM 1910 C ASP D 72 20.123 4.929 11.797 1.00 21.65 C ATOM 1911 O ASP D 72 19.850 5.037 12.992 1.00 21.89 O ATOM 1912 CB ASP D 72 18.341 5.266 10.076 1.00 24.44 C ATOM 1913 CG ASP D 72 17.084 5.337 10.921 1.00 26.84 C ATOM 1914 OD1 ASP D 72 17.007 6.224 11.798 1.00 28.80 O ATOM 1915 OD2 ASP D 72 16.176 4.506 10.708 1.00 26.79 O ATOM 0 H ASP D 72 20.362 5.958 8.842 1.00 20.94 H new ATOM 0 HA ASP D 72 19.226 6.803 11.288 1.00 22.67 H new ATOM 0 HB2 ASP D 72 18.166 5.771 9.126 1.00 24.44 H new ATOM 0 HB3 ASP D 72 18.563 4.224 9.846 1.00 24.44 H new ATOM 1920 N THR D 73 20.925 3.983 11.320 1.00 20.76 N ATOM 1921 CA THR D 73 21.545 2.994 12.193 1.00 20.02 C ATOM 1922 C THR D 73 22.395 3.672 13.262 1.00 20.19 C ATOM 1923 O THR D 73 22.166 3.493 14.458 1.00 21.53 O ATOM 1924 CB THR D 73 22.406 2.030 11.376 1.00 17.34 C ATOM 1925 OG1 THR D 73 21.620 1.341 10.421 1.00 17.09 O ATOM 1926 CG2 THR D 73 23.112 0.993 12.223 1.00 16.43 C ATOM 0 H THR D 73 21.161 3.881 10.333 1.00 20.76 H new ATOM 0 HA THR D 73 20.752 2.432 12.686 1.00 20.02 H new ATOM 0 HB THR D 73 23.158 2.654 10.892 1.00 17.34 H new ATOM 0 HG1 THR D 73 21.468 1.919 9.644 1.00 17.09 H new ATOM 0 HG21 THR D 73 23.705 0.342 11.581 1.00 16.43 H new ATOM 0 HG22 THR D 73 23.766 1.492 12.938 1.00 16.43 H new ATOM 0 HG23 THR D 73 22.374 0.398 12.760 1.00 16.43 H new ATOM 1934 N LEU D 74 23.378 4.450 12.822 1.00 18.97 N ATOM 1935 CA LEU D 74 24.264 5.156 13.741 1.00 19.07 C ATOM 1936 C LEU D 74 23.463 5.948 14.770 1.00 20.84 C ATOM 1937 O LEU D 74 23.798 5.964 15.953 1.00 21.13 O ATOM 1938 CB LEU D 74 25.194 6.094 12.970 1.00 16.92 C ATOM 1939 CG LEU D 74 26.253 5.398 12.113 1.00 14.57 C ATOM 1940 CD1 LEU D 74 26.760 6.333 11.026 1.00 14.67 C ATOM 1941 CD2 LEU D 74 27.405 4.913 12.980 1.00 12.38 C ATOM 0 H LEU D 74 23.582 4.608 11.835 1.00 18.97 H new ATOM 0 HA LEU D 74 24.864 4.414 14.267 1.00 19.07 H new ATOM 0 HB2 LEU D 74 24.589 6.731 12.325 1.00 16.92 H new ATOM 0 HB3 LEU D 74 25.698 6.748 13.682 1.00 16.92 H new ATOM 0 HG LEU D 74 25.794 4.533 11.634 1.00 14.57 H new ATOM 0 HD11 LEU D 74 27.512 5.820 10.427 1.00 14.67 H new ATOM 0 HD12 LEU D 74 25.929 6.632 10.387 1.00 14.67 H new ATOM 0 HD13 LEU D 74 27.202 7.218 11.484 1.00 14.67 H new ATOM 0 HD21 LEU D 74 28.149 4.420 12.354 1.00 12.38 H new ATOM 0 HD22 LEU D 74 27.862 5.763 13.486 1.00 12.38 H new ATOM 0 HD23 LEU D 74 27.030 4.208 13.722 1.00 12.38 H new ATOM 1953 N LYS D 75 22.401 6.604 14.311 1.00 22.14 N ATOM 1954 CA LYS D 75 21.553 7.396 15.196 1.00 24.11 C ATOM 1955 C LYS D 75 21.138 6.582 16.415 1.00 26.00 C ATOM 1956 O LYS D 75 21.246 7.043 17.551 1.00 27.39 O ATOM 1957 CB LYS D 75 20.312 7.886 14.447 1.00 24.02 C ATOM 1958 CG LYS D 75 19.549 8.975 15.183 1.00 24.99 C ATOM 1959 CD LYS D 75 19.639 10.306 14.454 1.00 24.23 C ATOM 1960 CE LYS D 75 18.274 10.964 14.326 1.00 25.65 C ATOM 1961 NZ LYS D 75 18.327 12.196 13.491 1.00 24.86 N ATOM 0 H LYS D 75 22.108 6.603 13.334 1.00 22.14 H new ATOM 0 HA LYS D 75 22.126 8.260 15.533 1.00 24.11 H new ATOM 0 HB2 LYS D 75 20.613 8.262 13.469 1.00 24.02 H new ATOM 0 HB3 LYS D 75 19.646 7.041 14.273 1.00 24.02 H new ATOM 0 HG2 LYS D 75 18.503 8.684 15.284 1.00 24.99 H new ATOM 0 HG3 LYS D 75 19.949 9.083 16.191 1.00 24.99 H new ATOM 0 HD2 LYS D 75 20.316 10.971 14.990 1.00 24.23 H new ATOM 0 HD3 LYS D 75 20.064 10.151 13.462 1.00 24.23 H new ATOM 0 HE2 LYS D 75 17.570 10.257 13.886 1.00 25.65 H new ATOM 0 HE3 LYS D 75 17.897 11.214 15.318 1.00 25.65 H new ATOM 0 HZ1 LYS D 75 17.377 12.614 13.429 1.00 24.86 H new ATOM 0 HZ2 LYS D 75 18.979 12.881 13.924 1.00 24.86 H new ATOM 0 HZ3 LYS D 75 18.662 11.954 12.537 1.00 24.86 H new ATOM 1975 N ASP D 76 20.667 5.366 16.169 1.00 26.22 N ATOM 1976 CA ASP D 76 20.238 4.479 17.240 1.00 28.14 C ATOM 1977 C ASP D 76 21.439 3.962 18.023 1.00 28.72 C ATOM 1978 O ASP D 76 21.353 3.719 19.227 1.00 30.62 O ATOM 1979 CB ASP D 76 19.440 3.305 16.672 1.00 27.99 C ATOM 1980 CG ASP D 76 18.065 3.181 17.300 1.00 29.48 C ATOM 1981 OD1 ASP D 76 17.182 3.997 16.959 1.00 29.19 O ATOM 1982 OD2 ASP D 76 17.872 2.272 18.132 1.00 31.07 O ATOM 0 H ASP D 76 20.573 4.971 15.233 1.00 26.22 H new ATOM 0 HA ASP D 76 19.599 5.046 17.917 1.00 28.14 H new ATOM 0 HB2 ASP D 76 19.334 3.429 15.594 1.00 27.99 H new ATOM 0 HB3 ASP D 76 19.995 2.381 16.833 1.00 27.99 H new ATOM 1987 N LEU D 77 22.561 3.799 17.330 1.00 27.13 N ATOM 1988 CA LEU D 77 23.783 3.314 17.957 1.00 27.55 C ATOM 1989 C LEU D 77 24.206 4.234 19.098 1.00 29.19 C ATOM 1990 O LEU D 77 24.656 3.772 20.146 1.00 30.60 O ATOM 1991 CB LEU D 77 24.904 3.215 16.920 1.00 25.45 C ATOM 1992 CG LEU D 77 24.904 1.934 16.084 1.00 23.90 C ATOM 1993 CD1 LEU D 77 25.936 2.024 14.970 1.00 21.35 C ATOM 1994 CD2 LEU D 77 25.171 0.723 16.965 1.00 24.93 C ATOM 0 H LEU D 77 22.648 3.996 16.333 1.00 27.13 H new ATOM 0 HA LEU D 77 23.589 2.323 18.367 1.00 27.55 H new ATOM 0 HB2 LEU D 77 24.832 4.069 16.247 1.00 25.45 H new ATOM 0 HB3 LEU D 77 25.862 3.295 17.434 1.00 25.45 H new ATOM 0 HG LEU D 77 23.920 1.818 15.631 1.00 23.90 H new ATOM 0 HD11 LEU D 77 25.922 1.104 14.386 1.00 21.35 H new ATOM 0 HD12 LEU D 77 25.700 2.869 14.323 1.00 21.35 H new ATOM 0 HD13 LEU D 77 26.927 2.164 15.402 1.00 21.35 H new ATOM 0 HD21 LEU D 77 25.167 -0.179 16.354 1.00 24.93 H new ATOM 0 HD22 LEU D 77 26.143 0.831 17.447 1.00 24.93 H new ATOM 0 HD23 LEU D 77 24.395 0.649 17.726 1.00 24.93 H new ATOM 2006 N TYR D 78 24.055 5.537 18.885 1.00 29.18 N ATOM 2007 CA TYR D 78 24.417 6.525 19.894 1.00 30.88 C ATOM 2008 C TYR D 78 23.272 6.732 20.880 1.00 32.76 C ATOM 2009 O TYR D 78 23.486 6.817 22.090 1.00 32.87 O ATOM 2010 CB TYR D 78 24.779 7.853 19.228 1.00 32.01 C ATOM 2011 CG TYR D 78 26.211 7.922 18.745 1.00 31.36 C ATOM 2012 CD1 TYR D 78 27.275 8.038 19.655 1.00 32.00 C ATOM 2013 CD2 TYR D 78 26.511 7.870 17.373 1.00 30.35 C ATOM 2014 CE1 TYR D 78 28.599 8.103 19.212 1.00 31.62 C ATOM 2015 CE2 TYR D 78 27.833 7.933 16.921 1.00 29.92 C ATOM 2016 CZ TYR D 78 28.873 8.049 17.845 1.00 30.54 C ATOM 2017 OH TYR D 78 30.174 8.112 17.404 1.00 30.35 O ATOM 0 H TYR D 78 23.684 5.933 18.022 1.00 29.18 H new ATOM 0 HA TYR D 78 25.284 6.154 20.441 1.00 30.88 H new ATOM 0 HB2 TYR D 78 24.112 8.019 18.382 1.00 32.01 H new ATOM 0 HB3 TYR D 78 24.604 8.663 19.936 1.00 32.01 H new ATOM 0 HD1 TYR D 78 27.067 8.078 20.714 1.00 32.00 H new ATOM 0 HD2 TYR D 78 25.708 7.780 16.656 1.00 30.35 H new ATOM 0 HE1 TYR D 78 29.406 8.195 19.924 1.00 31.62 H new ATOM 0 HE2 TYR D 78 28.048 7.892 15.863 1.00 29.92 H new ATOM 0 HH TYR D 78 30.185 8.302 16.443 1.00 30.35 H new ATOM 2027 N LYS D 79 22.055 6.811 20.352 1.00 34.30 N ATOM 2028 CA LYS D 79 20.869 7.008 21.180 1.00 36.31 C ATOM 2029 C LYS D 79 20.744 5.904 22.225 1.00 36.92 C ATOM 2030 O LYS D 79 20.483 6.173 23.397 1.00 36.94 O ATOM 2031 CB LYS D 79 19.616 7.044 20.303 1.00 36.00 C ATOM 2032 CG LYS D 79 18.329 7.235 21.088 1.00 37.96 C ATOM 2033 CD LYS D 79 17.220 7.790 20.209 1.00 39.30 C ATOM 2034 CE LYS D 79 17.005 6.929 18.975 1.00 37.92 C ATOM 2035 NZ LYS D 79 15.969 7.500 18.072 1.00 39.32 N ATOM 0 H LYS D 79 21.863 6.742 19.353 1.00 34.30 H new ATOM 0 HA LYS D 79 20.970 7.961 21.699 1.00 36.31 H new ATOM 0 HB2 LYS D 79 19.713 7.852 19.578 1.00 36.00 H new ATOM 0 HB3 LYS D 79 19.552 6.115 19.737 1.00 36.00 H new ATOM 0 HG2 LYS D 79 18.016 6.282 21.513 1.00 37.96 H new ATOM 0 HG3 LYS D 79 18.507 7.913 21.923 1.00 37.96 H new ATOM 0 HD2 LYS D 79 16.294 7.846 20.781 1.00 39.30 H new ATOM 0 HD3 LYS D 79 17.469 8.807 19.906 1.00 39.30 H new ATOM 0 HE2 LYS D 79 17.945 6.831 18.432 1.00 37.92 H new ATOM 0 HE3 LYS D 79 16.707 5.926 19.280 1.00 37.92 H new ATOM 0 HZ1 LYS D 79 15.853 6.883 17.243 1.00 39.32 H new ATOM 0 HZ2 LYS D 79 15.065 7.570 18.581 1.00 39.32 H new ATOM 0 HZ3 LYS D 79 16.264 8.447 17.760 1.00 39.32 H new