USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 89:sc= 0.335 USER MOD Set 1.2: C 69 MET CE :methyl 159:sc= -1.53 (180deg=-3.47!) USER MOD Set 2.1: B 73 THR OG1 : rot 83:sc= 0.585 USER MOD Set 2.2: D 62 GLN : amide:sc= -1.45 K(o=-0.87,f=-3.2!) USER MOD Set 3.1: B 62 GLN : amide:sc= -1.31 K(o=-0.72,f=-3.2!) USER MOD Set 3.2: D 73 THR OG1 : rot 83:sc= 0.593 USER MOD Set 4.1: A 69 MET CE :methyl 159:sc= -1.71 (180deg=-3.09!) USER MOD Set 4.2: C 73 THR OG1 : rot -155:sc= 0.962 USER MOD Single : A 62 GLN : amide:sc= -0.991 X(o=-0.99,f=-1.3) USER MOD Single : A 63 SER OG : rot -74:sc= 0.123 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 -65:sc= -3.97! 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 85:sc= -0.248 USER MOD Single : B 63 SER OG : rot -61:sc= 0.00515 USER MOD Single : B 67 LYS NZ :NH3+ 156:sc= 0.0416 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl 160:sc= -3.06! (180deg=-4.84!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 180:sc= -0.245 USER MOD Single : B 79 LYS NZ :NH3+ -147:sc= -0.272 (180deg=-1.14!) USER MOD Single : C 62 GLN : amide:sc= -1.01 X(o=-1,f=-1.3) USER MOD Single : C 63 SER OG : rot -75:sc= 0.0686 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 -68:sc= -4.28! 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 83:sc= -0.344 USER MOD Single : D 63 SER OG : rot 67:sc= -0.49 USER MOD Single : D 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 MET CE :methyl 167:sc= -2.99! (180deg=-4.73!) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot 180:sc= -0.949 USER MOD Single : D 79 LYS NZ :NH3+ -149:sc= -0.262 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 25.134 -12.184 -16.909 1.00 35.74 N ATOM 54 CA ALA A 55 24.688 -10.909 -16.363 1.00 34.52 C ATOM 55 C ALA A 55 24.028 -11.104 -15.003 1.00 32.04 C ATOM 56 O ALA A 55 24.255 -10.328 -14.075 1.00 31.22 O ATOM 57 CB ALA A 55 23.728 -10.227 -17.328 1.00 34.64 C ATOM 0 HA ALA A 55 25.561 -10.270 -16.229 1.00 34.52 H new ATOM 0 HB1 ALA A 55 23.403 -9.276 -16.907 1.00 34.64 H new ATOM 0 HB2 ALA A 55 24.232 -10.050 -18.278 1.00 34.64 H new ATOM 0 HB3 ALA A 55 22.861 -10.867 -17.491 1.00 34.64 H new ATOM 63 N GLU A 56 23.214 -12.149 -14.891 1.00 30.90 N ATOM 64 CA GLU A 56 22.528 -12.449 -13.641 1.00 28.62 C ATOM 65 C GLU A 56 23.529 -12.838 -12.563 1.00 28.94 C ATOM 66 O GLU A 56 23.540 -12.265 -11.472 1.00 29.08 O ATOM 67 CB GLU A 56 21.514 -13.577 -13.847 1.00 27.63 C ATOM 68 CG GLU A 56 20.559 -13.759 -12.678 1.00 26.82 C ATOM 69 CD GLU A 56 20.057 -15.184 -12.553 1.00 26.65 C ATOM 70 OE1 GLU A 56 20.503 -16.042 -13.343 1.00 28.59 O ATOM 71 OE2 GLU A 56 19.218 -15.441 -11.665 1.00 24.71 O ATOM 0 H GLU A 56 23.014 -12.801 -15.650 1.00 30.90 H new ATOM 0 HA GLU A 56 21.997 -11.553 -13.318 1.00 28.62 H new ATOM 0 HB2 GLU A 56 20.936 -13.375 -14.749 1.00 27.63 H new ATOM 0 HB3 GLU A 56 22.051 -14.511 -14.015 1.00 27.63 H new ATOM 0 HG2 GLU A 56 21.062 -13.472 -11.754 1.00 26.82 H new ATOM 0 HG3 GLU A 56 19.709 -13.087 -12.800 1.00 26.82 H new ATOM 78 N ARG A 57 24.375 -13.809 -12.880 1.00 29.23 N ATOM 79 CA ARG A 57 25.393 -14.270 -11.946 1.00 29.85 C ATOM 80 C ARG A 57 26.357 -13.140 -11.614 1.00 28.28 C ATOM 81 O ARG A 57 26.705 -12.924 -10.453 1.00 28.05 O ATOM 82 CB ARG A 57 26.159 -15.457 -12.534 1.00 31.85 C ATOM 83 CG ARG A 57 25.668 -16.805 -12.032 1.00 32.30 C ATOM 84 CD ARG A 57 26.342 -17.952 -12.768 1.00 34.54 C ATOM 85 NE ARG A 57 25.671 -18.262 -14.028 1.00 36.04 N ATOM 86 CZ ARG A 57 26.162 -19.100 -14.936 1.00 37.26 C ATOM 87 NH1 ARG A 57 27.324 -19.703 -14.726 1.00 37.04 N ATOM 88 NH2 ARG A 57 25.492 -19.335 -16.056 1.00 38.79 N ATOM 0 H ARG A 57 24.376 -14.293 -13.778 1.00 29.23 H new ATOM 0 HA ARG A 57 24.899 -14.592 -11.029 1.00 29.85 H new ATOM 0 HB2 ARG A 57 26.076 -15.431 -13.620 1.00 31.85 H new ATOM 0 HB3 ARG A 57 27.217 -15.352 -12.293 1.00 31.85 H new ATOM 0 HG2 ARG A 57 25.866 -16.891 -10.963 1.00 32.30 H new ATOM 0 HG3 ARG A 57 24.588 -16.872 -12.163 1.00 32.30 H new ATOM 0 HD2 ARG A 57 27.383 -17.695 -12.965 1.00 34.54 H new ATOM 0 HD3 ARG A 57 26.347 -18.838 -12.132 1.00 34.54 H new ATOM 0 HE ARG A 57 24.777 -17.811 -14.222 1.00 36.04 H new ATOM 0 HH11 ARG A 57 27.843 -19.524 -13.866 1.00 37.04 H new ATOM 0 HH12 ARG A 57 27.699 -20.345 -15.424 1.00 37.04 H new ATOM 0 HH21 ARG A 57 24.598 -18.872 -16.222 1.00 38.79 H new ATOM 0 HH22 ARG A 57 25.870 -19.978 -16.751 1.00 38.79 H new ATOM 102 N LEU A 58 26.779 -12.417 -12.644 1.00 27.41 N ATOM 103 CA LEU A 58 27.698 -11.300 -12.470 1.00 25.95 C ATOM 104 C LEU A 58 27.136 -10.291 -11.475 1.00 23.41 C ATOM 105 O LEU A 58 27.796 -9.929 -10.503 1.00 23.41 O ATOM 106 CB LEU A 58 27.964 -10.614 -13.811 1.00 26.17 C ATOM 107 CG LEU A 58 29.079 -11.243 -14.649 1.00 28.41 C ATOM 108 CD1 LEU A 58 29.253 -10.490 -15.958 1.00 27.97 C ATOM 109 CD2 LEU A 58 30.382 -11.261 -13.865 1.00 29.34 C ATOM 0 H LEU A 58 26.499 -12.585 -13.610 1.00 27.41 H new ATOM 0 HA LEU A 58 28.637 -11.691 -12.079 1.00 25.95 H new ATOM 0 HB2 LEU A 58 27.043 -10.621 -14.395 1.00 26.17 H new ATOM 0 HB3 LEU A 58 28.215 -9.570 -13.624 1.00 26.17 H new ATOM 0 HG LEU A 58 28.800 -12.271 -14.881 1.00 28.41 H new ATOM 0 HD11 LEU A 58 30.050 -10.952 -16.540 1.00 27.97 H new ATOM 0 HD12 LEU A 58 28.323 -10.525 -16.525 1.00 27.97 H new ATOM 0 HD13 LEU A 58 29.511 -9.452 -15.749 1.00 27.97 H new ATOM 0 HD21 LEU A 58 31.166 -11.711 -14.473 1.00 29.34 H new ATOM 0 HD22 LEU A 58 30.665 -10.241 -13.605 1.00 29.34 H new ATOM 0 HD23 LEU A 58 30.250 -11.844 -12.954 1.00 29.34 H new ATOM 121 N ALA A 59 25.909 -9.843 -11.724 1.00 21.27 N ATOM 122 CA ALA A 59 25.254 -8.880 -10.849 1.00 18.76 C ATOM 123 C ALA A 59 25.326 -9.330 -9.394 1.00 18.72 C ATOM 124 O ALA A 59 25.402 -8.506 -8.482 1.00 19.17 O ATOM 125 CB ALA A 59 23.806 -8.681 -11.274 1.00 17.71 C ATOM 0 H ALA A 59 25.349 -10.133 -12.526 1.00 21.27 H new ATOM 0 HA ALA A 59 25.778 -7.928 -10.935 1.00 18.76 H new ATOM 0 HB1 ALA A 59 23.328 -7.959 -10.612 1.00 17.71 H new ATOM 0 HB2 ALA A 59 23.775 -8.310 -12.298 1.00 17.71 H new ATOM 0 HB3 ALA A 59 23.276 -9.632 -11.217 1.00 17.71 H new ATOM 131 N ASP A 60 25.305 -10.643 -9.185 1.00 18.25 N ATOM 132 CA ASP A 60 25.373 -11.203 -7.842 1.00 18.19 C ATOM 133 C ASP A 60 26.815 -11.244 -7.350 1.00 18.49 C ATOM 134 O ASP A 60 27.078 -11.150 -6.151 1.00 18.08 O ATOM 135 CB ASP A 60 24.774 -12.612 -7.820 1.00 17.85 C ATOM 136 CG ASP A 60 23.441 -12.669 -7.098 1.00 17.32 C ATOM 137 OD1 ASP A 60 23.033 -11.640 -6.519 1.00 15.70 O ATOM 138 OD2 ASP A 60 22.806 -13.744 -7.110 1.00 18.70 O ATOM 0 H ASP A 60 25.241 -11.338 -9.929 1.00 18.25 H new ATOM 0 HA ASP A 60 24.794 -10.562 -7.176 1.00 18.19 H new ATOM 0 HB2 ASP A 60 24.644 -12.963 -8.844 1.00 17.85 H new ATOM 0 HB3 ASP A 60 25.474 -13.293 -7.336 1.00 17.85 H new ATOM 143 N GLU A 61 27.749 -11.381 -8.287 1.00 19.31 N ATOM 144 CA GLU A 61 29.167 -11.427 -7.953 1.00 19.69 C ATOM 145 C GLU A 61 29.694 -10.030 -7.658 1.00 20.13 C ATOM 146 O GLU A 61 30.352 -9.802 -6.643 1.00 20.51 O ATOM 147 CB GLU A 61 29.963 -12.056 -9.098 1.00 19.66 C ATOM 148 CG GLU A 61 31.182 -12.837 -8.633 1.00 20.44 C ATOM 149 CD GLU A 61 30.936 -14.333 -8.600 1.00 19.70 C ATOM 150 OE1 GLU A 61 29.947 -14.786 -9.214 1.00 19.32 O ATOM 151 OE2 GLU A 61 31.734 -15.051 -7.961 1.00 19.63 O ATOM 0 H GLU A 61 27.548 -11.462 -9.284 1.00 19.31 H new ATOM 0 HA GLU A 61 29.288 -12.040 -7.060 1.00 19.69 H new ATOM 0 HB2 GLU A 61 29.309 -12.721 -9.662 1.00 19.66 H new ATOM 0 HB3 GLU A 61 30.284 -11.270 -9.781 1.00 19.66 H new ATOM 0 HG2 GLU A 61 32.020 -12.625 -9.297 1.00 20.44 H new ATOM 0 HG3 GLU A 61 31.469 -12.497 -7.638 1.00 20.44 H new ATOM 158 N GLN A 62 29.392 -9.097 -8.552 1.00 20.11 N ATOM 159 CA GLN A 62 29.826 -7.715 -8.391 1.00 20.55 C ATOM 160 C GLN A 62 29.203 -7.103 -7.142 1.00 19.27 C ATOM 161 O GLN A 62 29.856 -6.360 -6.409 1.00 20.12 O ATOM 162 CB GLN A 62 29.448 -6.891 -9.623 1.00 20.27 C ATOM 163 CG GLN A 62 29.901 -7.515 -10.933 1.00 22.69 C ATOM 164 CD GLN A 62 31.409 -7.515 -11.089 1.00 23.24 C ATOM 165 OE1 GLN A 62 32.121 -6.819 -10.365 1.00 23.55 O ATOM 166 NE2 GLN A 62 31.905 -8.299 -12.040 1.00 23.37 N ATOM 0 H GLN A 62 28.848 -9.272 -9.397 1.00 20.11 H new ATOM 0 HA GLN A 62 30.910 -7.706 -8.281 1.00 20.55 H new ATOM 0 HB2 GLN A 62 28.366 -6.763 -9.646 1.00 20.27 H new ATOM 0 HB3 GLN A 62 29.885 -5.897 -9.533 1.00 20.27 H new ATOM 0 HG2 GLN A 62 29.534 -8.540 -10.989 1.00 22.69 H new ATOM 0 HG3 GLN A 62 29.454 -6.970 -11.764 1.00 22.69 H new ATOM 0 HE21 GLN A 62 31.278 -8.859 -12.617 1.00 23.37 H new ATOM 0 HE22 GLN A 62 32.913 -8.340 -12.193 1.00 23.37 H new ATOM 175 N SER A 63 27.937 -7.429 -6.902 1.00 17.38 N ATOM 176 CA SER A 63 27.226 -6.919 -5.737 1.00 16.31 C ATOM 177 C SER A 63 27.830 -7.484 -4.457 1.00 16.31 C ATOM 178 O SER A 63 27.912 -6.796 -3.439 1.00 14.68 O ATOM 179 CB SER A 63 25.741 -7.277 -5.818 1.00 17.08 C ATOM 180 OG SER A 63 25.561 -8.673 -5.976 1.00 18.92 O ATOM 0 H SER A 63 27.383 -8.044 -7.499 1.00 17.38 H new ATOM 0 HA SER A 63 27.324 -5.834 -5.723 1.00 16.31 H new ATOM 0 HB2 SER A 63 25.233 -6.942 -4.914 1.00 17.08 H new ATOM 0 HB3 SER A 63 25.282 -6.751 -6.655 1.00 17.08 H new ATOM 0 HG SER A 63 25.798 -8.932 -6.891 1.00 18.92 H new ATOM 186 N GLU A 64 28.258 -8.742 -4.518 1.00 18.36 N ATOM 187 CA GLU A 64 28.861 -9.399 -3.366 1.00 18.81 C ATOM 188 C GLU A 64 30.069 -8.611 -2.876 1.00 17.35 C ATOM 189 O GLU A 64 30.243 -8.401 -1.675 1.00 16.67 O ATOM 190 CB GLU A 64 29.279 -10.827 -3.722 1.00 21.36 C ATOM 191 CG GLU A 64 28.762 -11.873 -2.748 1.00 21.82 C ATOM 192 CD GLU A 64 29.536 -13.174 -2.824 1.00 24.63 C ATOM 193 OE1 GLU A 64 29.948 -13.556 -3.940 1.00 26.54 O ATOM 194 OE2 GLU A 64 29.730 -13.812 -1.768 1.00 25.03 O ATOM 0 H GLU A 64 28.198 -9.325 -5.353 1.00 18.36 H new ATOM 0 HA GLU A 64 28.119 -9.439 -2.568 1.00 18.81 H new ATOM 0 HB2 GLU A 64 28.917 -11.064 -4.722 1.00 21.36 H new ATOM 0 HB3 GLU A 64 30.367 -10.880 -3.756 1.00 21.36 H new ATOM 0 HG2 GLU A 64 28.820 -11.479 -1.733 1.00 21.82 H new ATOM 0 HG3 GLU A 64 27.710 -12.068 -2.955 1.00 21.82 H new ATOM 201 N LEU A 65 30.898 -8.166 -3.817 1.00 16.92 N ATOM 202 CA LEU A 65 32.084 -7.392 -3.482 1.00 15.64 C ATOM 203 C LEU A 65 31.693 -6.119 -2.741 1.00 13.89 C ATOM 204 O LEU A 65 32.342 -5.726 -1.772 1.00 13.86 O ATOM 205 CB LEU A 65 32.867 -7.040 -4.749 1.00 16.15 C ATOM 206 CG LEU A 65 33.542 -8.226 -5.442 1.00 17.43 C ATOM 207 CD1 LEU A 65 33.220 -8.227 -6.928 1.00 16.32 C ATOM 208 CD2 LEU A 65 35.046 -8.184 -5.220 1.00 19.32 C ATOM 0 H LEU A 65 30.768 -8.329 -4.815 1.00 16.92 H new ATOM 0 HA LEU A 65 32.719 -7.997 -2.834 1.00 15.64 H new ATOM 0 HB2 LEU A 65 32.189 -6.563 -5.456 1.00 16.15 H new ATOM 0 HB3 LEU A 65 33.630 -6.305 -4.494 1.00 16.15 H new ATOM 0 HG LEU A 65 33.156 -9.148 -5.007 1.00 17.43 H new ATOM 0 HD11 LEU A 65 33.708 -9.077 -7.405 1.00 16.32 H new ATOM 0 HD12 LEU A 65 32.142 -8.303 -7.067 1.00 16.32 H new ATOM 0 HD13 LEU A 65 33.580 -7.302 -7.379 1.00 16.32 H new ATOM 0 HD21 LEU A 65 35.511 -9.034 -5.719 1.00 19.32 H new ATOM 0 HD22 LEU A 65 35.449 -7.258 -5.630 1.00 19.32 H new ATOM 0 HD23 LEU A 65 35.258 -8.230 -4.152 1.00 19.32 H new ATOM 220 N VAL A 66 30.620 -5.483 -3.202 1.00 12.92 N ATOM 221 CA VAL A 66 30.132 -4.261 -2.580 1.00 11.53 C ATOM 222 C VAL A 66 29.545 -4.553 -1.205 1.00 9.27 C ATOM 223 O VAL A 66 29.884 -3.894 -0.222 1.00 9.05 O ATOM 224 CB VAL A 66 29.064 -3.573 -3.450 1.00 12.36 C ATOM 225 CG1 VAL A 66 28.597 -2.280 -2.798 1.00 11.33 C ATOM 226 CG2 VAL A 66 29.603 -3.309 -4.848 1.00 14.81 C ATOM 0 H VAL A 66 30.073 -5.795 -4.004 1.00 12.92 H new ATOM 0 HA VAL A 66 30.985 -3.590 -2.477 1.00 11.53 H new ATOM 0 HB VAL A 66 28.206 -4.240 -3.536 1.00 12.36 H new ATOM 0 HG11 VAL A 66 27.842 -1.807 -3.427 1.00 11.33 H new ATOM 0 HG12 VAL A 66 28.169 -2.500 -1.820 1.00 11.33 H new ATOM 0 HG13 VAL A 66 29.445 -1.605 -2.679 1.00 11.33 H new ATOM 0 HG21 VAL A 66 28.834 -2.822 -5.448 1.00 14.81 H new ATOM 0 HG22 VAL A 66 30.478 -2.662 -4.784 1.00 14.81 H new ATOM 0 HG23 VAL A 66 29.884 -4.253 -5.314 1.00 14.81 H new ATOM 236 N LYS A 67 28.667 -5.551 -1.140 1.00 8.19 N ATOM 237 CA LYS A 67 28.043 -5.934 0.120 1.00 6.07 C ATOM 238 C LYS A 67 29.100 -6.388 1.118 1.00 6.69 C ATOM 239 O LYS A 67 29.042 -6.047 2.300 1.00 6.90 O ATOM 240 CB LYS A 67 27.022 -7.054 -0.104 1.00 6.23 C ATOM 241 CG LYS A 67 26.405 -7.580 1.182 1.00 6.20 C ATOM 242 CD LYS A 67 25.573 -8.829 0.933 1.00 6.11 C ATOM 243 CE LYS A 67 25.909 -9.931 1.925 1.00 6.19 C ATOM 244 NZ LYS A 67 24.782 -10.887 2.099 1.00 5.72 N ATOM 0 H LYS A 67 28.373 -6.107 -1.943 1.00 8.19 H new ATOM 0 HA LYS A 67 27.525 -5.064 0.524 1.00 6.07 H new ATOM 0 HB2 LYS A 67 26.228 -6.686 -0.754 1.00 6.23 H new ATOM 0 HB3 LYS A 67 27.507 -7.877 -0.628 1.00 6.23 H new ATOM 0 HG2 LYS A 67 27.194 -7.805 1.900 1.00 6.20 H new ATOM 0 HG3 LYS A 67 25.779 -6.808 1.628 1.00 6.20 H new ATOM 0 HD2 LYS A 67 24.514 -8.582 1.007 1.00 6.11 H new ATOM 0 HD3 LYS A 67 25.747 -9.187 -0.082 1.00 6.11 H new ATOM 0 HE2 LYS A 67 26.792 -10.470 1.582 1.00 6.19 H new ATOM 0 HE3 LYS A 67 26.160 -9.487 2.888 1.00 6.19 H new ATOM 0 HZ1 LYS A 67 25.053 -11.622 2.783 1.00 5.72 H new ATOM 0 HZ2 LYS A 67 23.946 -10.378 2.450 1.00 5.72 H new ATOM 0 HZ3 LYS A 67 24.559 -11.330 1.185 1.00 5.72 H new ATOM 258 N LYS A 68 30.072 -7.151 0.631 1.00 7.91 N ATOM 259 CA LYS A 68 31.151 -7.647 1.475 1.00 9.44 C ATOM 260 C LYS A 68 31.994 -6.488 1.994 1.00 9.86 C ATOM 261 O LYS A 68 32.460 -6.506 3.133 1.00 11.82 O ATOM 262 CB LYS A 68 32.031 -8.623 0.693 1.00 11.71 C ATOM 263 CG LYS A 68 33.199 -9.169 1.500 1.00 13.74 C ATOM 264 CD LYS A 68 33.832 -10.373 0.820 1.00 13.79 C ATOM 265 CE LYS A 68 34.857 -9.949 -0.220 1.00 13.48 C ATOM 266 NZ LYS A 68 35.711 -11.090 -0.655 1.00 14.61 N ATOM 0 H LYS A 68 30.134 -7.440 -0.345 1.00 7.91 H new ATOM 0 HA LYS A 68 30.712 -8.171 2.324 1.00 9.44 H new ATOM 0 HB2 LYS A 68 31.418 -9.455 0.348 1.00 11.71 H new ATOM 0 HB3 LYS A 68 32.416 -8.121 -0.195 1.00 11.71 H new ATOM 0 HG2 LYS A 68 33.948 -8.388 1.631 1.00 13.74 H new ATOM 0 HG3 LYS A 68 32.855 -9.451 2.495 1.00 13.74 H new ATOM 0 HD2 LYS A 68 34.311 -11.005 1.568 1.00 13.79 H new ATOM 0 HD3 LYS A 68 33.056 -10.973 0.345 1.00 13.79 H new ATOM 0 HE2 LYS A 68 34.344 -9.529 -1.085 1.00 13.48 H new ATOM 0 HE3 LYS A 68 35.487 -9.160 0.191 1.00 13.48 H new ATOM 0 HZ1 LYS A 68 36.397 -10.760 -1.364 1.00 14.61 H new ATOM 0 HZ2 LYS A 68 36.220 -11.475 0.166 1.00 14.61 H new ATOM 0 HZ3 LYS A 68 35.113 -11.832 -1.071 1.00 14.61 H new ATOM 280 N MET A 69 32.179 -5.479 1.150 1.00 8.12 N ATOM 281 CA MET A 69 32.958 -4.306 1.521 1.00 8.36 C ATOM 282 C MET A 69 32.266 -3.538 2.639 1.00 7.08 C ATOM 283 O MET A 69 32.914 -3.041 3.561 1.00 6.42 O ATOM 284 CB MET A 69 33.159 -3.398 0.306 1.00 8.33 C ATOM 285 CG MET A 69 33.882 -2.099 0.629 1.00 7.25 C ATOM 286 SD MET A 69 33.860 -0.933 -0.746 1.00 7.75 S ATOM 287 CE MET A 69 32.124 -0.968 -1.190 1.00 8.11 C ATOM 0 H MET A 69 31.799 -5.451 0.204 1.00 8.12 H new ATOM 0 HA MET A 69 33.933 -4.638 1.878 1.00 8.36 H new ATOM 0 HB2 MET A 69 33.724 -3.940 -0.452 1.00 8.33 H new ATOM 0 HB3 MET A 69 32.187 -3.165 -0.127 1.00 8.33 H new ATOM 0 HG2 MET A 69 33.418 -1.636 1.500 1.00 7.25 H new ATOM 0 HG3 MET A 69 34.915 -2.320 0.897 1.00 7.25 H new ATOM 0 HE1 MET A 69 31.872 -0.064 -1.745 1.00 8.11 H new ATOM 0 HE2 MET A 69 31.925 -1.842 -1.810 1.00 8.11 H new ATOM 0 HE3 MET A 69 31.518 -1.019 -0.285 1.00 8.11 H new ATOM 297 N VAL A 70 30.942 -3.448 2.554 1.00 7.51 N ATOM 298 CA VAL A 70 30.157 -2.747 3.559 1.00 8.00 C ATOM 299 C VAL A 70 30.189 -3.493 4.890 1.00 8.62 C ATOM 300 O VAL A 70 30.379 -2.888 5.945 1.00 8.56 O ATOM 301 CB VAL A 70 28.693 -2.563 3.099 1.00 8.30 C ATOM 302 CG1 VAL A 70 27.820 -2.013 4.222 1.00 9.51 C ATOM 303 CG2 VAL A 70 28.638 -1.647 1.888 1.00 6.19 C ATOM 0 H VAL A 70 30.391 -3.853 1.797 1.00 7.51 H new ATOM 0 HA VAL A 70 30.604 -1.762 3.693 1.00 8.00 H new ATOM 0 HB VAL A 70 28.300 -3.542 2.824 1.00 8.30 H new ATOM 0 HG11 VAL A 70 26.797 -1.896 3.864 1.00 9.51 H new ATOM 0 HG12 VAL A 70 27.833 -2.704 5.065 1.00 9.51 H new ATOM 0 HG13 VAL A 70 28.205 -1.045 4.542 1.00 9.51 H new ATOM 0 HG21 VAL A 70 27.602 -1.524 1.572 1.00 6.19 H new ATOM 0 HG22 VAL A 70 29.056 -0.675 2.148 1.00 6.19 H new ATOM 0 HG23 VAL A 70 29.216 -2.085 1.074 1.00 6.19 H new ATOM 313 N PHE A 71 30.006 -4.808 4.837 1.00 9.68 N ATOM 314 CA PHE A 71 30.021 -5.621 6.046 1.00 10.47 C ATOM 315 C PHE A 71 31.273 -5.332 6.866 1.00 10.43 C ATOM 316 O PHE A 71 31.188 -4.851 7.993 1.00 10.18 O ATOM 317 CB PHE A 71 29.954 -7.111 5.701 1.00 11.79 C ATOM 318 CG PHE A 71 30.124 -8.002 6.897 1.00 13.29 C ATOM 319 CD1 PHE A 71 29.111 -8.103 7.861 1.00 13.86 C ATOM 320 CD2 PHE A 71 31.304 -8.737 7.076 1.00 14.59 C ATOM 321 CE1 PHE A 71 29.271 -8.923 8.981 1.00 15.48 C ATOM 322 CE2 PHE A 71 31.470 -9.560 8.193 1.00 16.39 C ATOM 323 CZ PHE A 71 30.452 -9.653 9.147 1.00 16.74 C ATOM 0 H PHE A 71 29.847 -5.330 3.975 1.00 9.68 H new ATOM 0 HA PHE A 71 29.143 -5.363 6.638 1.00 10.47 H new ATOM 0 HB2 PHE A 71 28.995 -7.326 5.229 1.00 11.79 H new ATOM 0 HB3 PHE A 71 30.728 -7.343 4.970 1.00 11.79 H new ATOM 0 HD1 PHE A 71 28.197 -7.541 7.737 1.00 13.86 H new ATOM 0 HD2 PHE A 71 32.094 -8.666 6.343 1.00 14.59 H new ATOM 0 HE1 PHE A 71 28.484 -8.993 9.717 1.00 15.48 H new ATOM 0 HE2 PHE A 71 32.383 -10.123 8.319 1.00 16.39 H new ATOM 0 HZ PHE A 71 30.578 -10.288 10.011 1.00 16.74 H new ATOM 333 N ASP A 72 32.434 -5.622 6.289 1.00 10.81 N ATOM 334 CA ASP A 72 33.703 -5.383 6.966 1.00 10.85 C ATOM 335 C ASP A 72 33.762 -3.958 7.504 1.00 9.98 C ATOM 336 O ASP A 72 34.262 -3.717 8.604 1.00 10.72 O ATOM 337 CB ASP A 72 34.872 -5.630 6.010 1.00 11.30 C ATOM 338 CG ASP A 72 36.149 -6.003 6.738 1.00 12.31 C ATOM 339 OD1 ASP A 72 36.219 -5.780 7.964 1.00 12.81 O ATOM 340 OD2 ASP A 72 37.078 -6.515 6.080 1.00 12.90 O ATOM 0 H ASP A 72 32.522 -6.022 5.355 1.00 10.81 H new ATOM 0 HA ASP A 72 33.780 -6.076 7.803 1.00 10.85 H new ATOM 0 HB2 ASP A 72 34.607 -6.428 5.316 1.00 11.30 H new ATOM 0 HB3 ASP A 72 35.046 -4.734 5.414 1.00 11.30 H new ATOM 345 N THR A 73 33.239 -3.017 6.724 1.00 8.83 N ATOM 346 CA THR A 73 33.222 -1.616 7.121 1.00 7.99 C ATOM 347 C THR A 73 32.272 -1.409 8.296 1.00 9.16 C ATOM 348 O THR A 73 32.704 -1.211 9.431 1.00 9.95 O ATOM 349 CB THR A 73 32.806 -0.732 5.939 1.00 5.82 C ATOM 350 OG1 THR A 73 33.830 -0.689 4.962 1.00 4.25 O ATOM 351 CG2 THR A 73 32.485 0.699 6.327 1.00 5.33 C ATOM 0 H THR A 73 32.821 -3.201 5.812 1.00 8.83 H new ATOM 0 HA THR A 73 34.227 -1.331 7.432 1.00 7.99 H new ATOM 0 HB THR A 73 31.898 -1.193 5.549 1.00 5.82 H new ATOM 0 HG1 THR A 73 33.710 -1.428 4.330 1.00 4.25 H new ATOM 0 HG21 THR A 73 32.199 1.262 5.438 1.00 5.33 H new ATOM 0 HG22 THR A 73 31.662 0.706 7.041 1.00 5.33 H new ATOM 0 HG23 THR A 73 33.363 1.159 6.781 1.00 5.33 H new ATOM 359 N LEU A 74 30.973 -1.458 8.013 1.00 9.59 N ATOM 360 CA LEU A 74 29.960 -1.277 9.046 1.00 11.20 C ATOM 361 C LEU A 74 30.250 -2.156 10.257 1.00 11.84 C ATOM 362 O LEU A 74 29.996 -1.767 11.396 1.00 12.63 O ATOM 363 CB LEU A 74 28.575 -1.589 8.485 1.00 11.36 C ATOM 364 CG LEU A 74 28.097 -0.631 7.393 1.00 10.70 C ATOM 365 CD1 LEU A 74 26.611 -0.807 7.148 1.00 13.11 C ATOM 366 CD2 LEU A 74 28.411 0.810 7.769 1.00 9.22 C ATOM 0 H LEU A 74 30.599 -1.621 7.078 1.00 9.59 H new ATOM 0 HA LEU A 74 29.986 -0.236 9.370 1.00 11.20 H new ATOM 0 HB2 LEU A 74 28.580 -2.602 8.083 1.00 11.36 H new ATOM 0 HB3 LEU A 74 27.855 -1.574 9.303 1.00 11.36 H new ATOM 0 HG LEU A 74 28.629 -0.867 6.471 1.00 10.70 H new ATOM 0 HD11 LEU A 74 26.287 -0.118 6.368 1.00 13.11 H new ATOM 0 HD12 LEU A 74 26.413 -1.831 6.832 1.00 13.11 H new ATOM 0 HD13 LEU A 74 26.063 -0.598 8.067 1.00 13.11 H new ATOM 0 HD21 LEU A 74 28.063 1.476 6.979 1.00 9.22 H new ATOM 0 HD22 LEU A 74 27.908 1.060 8.703 1.00 9.22 H new ATOM 0 HD23 LEU A 74 29.487 0.927 7.894 1.00 9.22 H new ATOM 378 N LYS A 75 30.797 -3.339 10.001 1.00 11.66 N ATOM 379 CA LYS A 75 31.137 -4.270 11.069 1.00 12.40 C ATOM 380 C LYS A 75 32.038 -3.589 12.088 1.00 13.92 C ATOM 381 O LYS A 75 31.634 -3.329 13.221 1.00 15.65 O ATOM 382 CB LYS A 75 31.843 -5.499 10.494 1.00 10.47 C ATOM 383 CG LYS A 75 32.394 -6.441 11.550 1.00 11.22 C ATOM 384 CD LYS A 75 32.597 -7.841 10.995 1.00 9.86 C ATOM 385 CE LYS A 75 34.046 -8.284 11.114 1.00 8.52 C ATOM 386 NZ LYS A 75 34.163 -9.635 11.731 1.00 8.24 N ATOM 0 H LYS A 75 31.014 -3.675 9.063 1.00 11.66 H new ATOM 0 HA LYS A 75 30.218 -4.587 11.561 1.00 12.40 H new ATOM 0 HB2 LYS A 75 31.143 -6.046 9.863 1.00 10.47 H new ATOM 0 HB3 LYS A 75 32.660 -5.170 9.853 1.00 10.47 H new ATOM 0 HG2 LYS A 75 33.343 -6.055 11.924 1.00 11.22 H new ATOM 0 HG3 LYS A 75 31.709 -6.480 12.397 1.00 11.22 H new ATOM 0 HD2 LYS A 75 31.956 -8.542 11.530 1.00 9.86 H new ATOM 0 HD3 LYS A 75 32.293 -7.866 9.949 1.00 9.86 H new ATOM 0 HE2 LYS A 75 34.505 -8.295 10.125 1.00 8.52 H new ATOM 0 HE3 LYS A 75 34.599 -7.561 11.714 1.00 8.52 H new ATOM 0 HZ1 LYS A 75 35.166 -9.902 11.795 1.00 8.24 H new ATOM 0 HZ2 LYS A 75 33.748 -9.618 12.684 1.00 8.24 H new ATOM 0 HZ3 LYS A 75 33.657 -10.329 11.145 1.00 8.24 H new ATOM 400 N ASP A 76 33.263 -3.299 11.667 1.00 13.53 N ATOM 401 CA ASP A 76 34.234 -2.640 12.530 1.00 15.19 C ATOM 402 C ASP A 76 33.759 -1.242 12.915 1.00 16.60 C ATOM 403 O ASP A 76 34.088 -0.738 13.989 1.00 18.54 O ATOM 404 CB ASP A 76 35.592 -2.554 11.830 1.00 14.50 C ATOM 405 CG ASP A 76 36.749 -2.541 12.810 1.00 15.12 C ATOM 406 OD1 ASP A 76 36.698 -3.301 13.800 1.00 17.33 O ATOM 407 OD2 ASP A 76 37.707 -1.771 12.587 1.00 13.57 O ATOM 0 H ASP A 76 33.608 -3.511 10.731 1.00 13.53 H new ATOM 0 HA ASP A 76 34.337 -3.233 13.439 1.00 15.19 H new ATOM 0 HB2 ASP A 76 35.703 -3.401 11.153 1.00 14.50 H new ATOM 0 HB3 ASP A 76 35.626 -1.651 11.220 1.00 14.50 H new ATOM 412 N LEU A 77 32.982 -0.620 12.032 1.00 15.81 N ATOM 413 CA LEU A 77 32.463 0.718 12.280 1.00 17.22 C ATOM 414 C LEU A 77 31.486 0.706 13.454 1.00 19.89 C ATOM 415 O LEU A 77 31.752 1.299 14.500 1.00 21.54 O ATOM 416 CB LEU A 77 31.797 1.261 11.004 1.00 16.11 C ATOM 417 CG LEU A 77 30.669 2.282 11.206 1.00 16.65 C ATOM 418 CD1 LEU A 77 31.066 3.327 12.237 1.00 16.49 C ATOM 419 CD2 LEU A 77 30.312 2.944 9.885 1.00 17.69 C ATOM 0 H LEU A 77 32.699 -1.023 11.139 1.00 15.81 H new ATOM 0 HA LEU A 77 33.288 1.379 12.546 1.00 17.22 H new ATOM 0 HB2 LEU A 77 32.568 1.721 10.385 1.00 16.11 H new ATOM 0 HB3 LEU A 77 31.398 0.417 10.441 1.00 16.11 H new ATOM 0 HG LEU A 77 29.791 1.754 11.578 1.00 16.65 H new ATOM 0 HD11 LEU A 77 30.252 4.040 12.364 1.00 16.49 H new ATOM 0 HD12 LEU A 77 31.273 2.839 13.189 1.00 16.49 H new ATOM 0 HD13 LEU A 77 31.959 3.852 11.898 1.00 16.49 H new ATOM 0 HD21 LEU A 77 29.511 3.665 10.044 1.00 17.69 H new ATOM 0 HD22 LEU A 77 31.188 3.456 9.486 1.00 17.69 H new ATOM 0 HD23 LEU A 77 29.981 2.185 9.176 1.00 17.69 H new ATOM 431 N TYR A 78 30.357 0.027 13.277 1.00 20.35 N ATOM 432 CA TYR A 78 29.350 -0.059 14.326 1.00 22.89 C ATOM 433 C TYR A 78 29.963 -0.569 15.627 1.00 23.58 C ATOM 434 O TYR A 78 29.475 -0.267 16.715 1.00 24.28 O ATOM 435 CB TYR A 78 28.206 -0.980 13.894 1.00 24.55 C ATOM 436 CG TYR A 78 27.417 -0.469 12.706 1.00 25.01 C ATOM 437 CD1 TYR A 78 27.412 0.897 12.368 1.00 25.32 C ATOM 438 CD2 TYR A 78 26.668 -1.354 11.910 1.00 25.36 C ATOM 439 CE1 TYR A 78 26.682 1.365 11.273 1.00 26.07 C ATOM 440 CE2 TYR A 78 25.936 -0.892 10.812 1.00 25.86 C ATOM 441 CZ TYR A 78 25.946 0.468 10.499 1.00 26.27 C ATOM 442 OH TYR A 78 25.226 0.926 9.419 1.00 27.07 O ATOM 0 H TYR A 78 30.118 -0.470 12.419 1.00 20.35 H new ATOM 0 HA TYR A 78 28.955 0.942 14.497 1.00 22.89 H new ATOM 0 HB2 TYR A 78 28.615 -1.960 13.650 1.00 24.55 H new ATOM 0 HB3 TYR A 78 27.527 -1.118 14.736 1.00 24.55 H new ATOM 0 HD1 TYR A 78 27.981 1.594 12.965 1.00 25.32 H new ATOM 0 HD2 TYR A 78 26.658 -2.407 12.151 1.00 25.36 H new ATOM 0 HE1 TYR A 78 26.687 2.417 11.027 1.00 26.07 H new ATOM 0 HE2 TYR A 78 25.366 -1.584 10.209 1.00 25.86 H new ATOM 0 HH TYR A 78 24.509 1.517 9.731 1.00 27.07 H new ATOM 452 N LYS A 79 31.036 -1.343 15.505 1.00 23.47 N ATOM 453 CA LYS A 79 31.716 -1.894 16.671 1.00 24.17 C ATOM 454 C LYS A 79 32.387 -0.791 17.483 1.00 24.49 C ATOM 455 O LYS A 79 32.507 -0.890 18.704 1.00 24.29 O ATOM 456 CB LYS A 79 32.754 -2.931 16.240 1.00 22.22 C ATOM 457 CG LYS A 79 32.210 -4.350 16.197 1.00 23.41 C ATOM 458 CD LYS A 79 33.295 -5.374 16.492 1.00 23.67 C ATOM 459 CE LYS A 79 33.044 -6.678 15.752 1.00 23.06 C ATOM 460 NZ LYS A 79 33.791 -7.814 16.358 1.00 23.82 N ATOM 0 H LYS A 79 31.453 -1.603 14.611 1.00 23.47 H new ATOM 0 HA LYS A 79 30.969 -2.378 17.300 1.00 24.17 H new ATOM 0 HB2 LYS A 79 33.134 -2.666 15.253 1.00 22.22 H new ATOM 0 HB3 LYS A 79 33.599 -2.895 16.927 1.00 22.22 H new ATOM 0 HG2 LYS A 79 31.404 -4.454 16.923 1.00 23.41 H new ATOM 0 HG3 LYS A 79 31.781 -4.546 15.214 1.00 23.41 H new ATOM 0 HD2 LYS A 79 34.266 -4.971 16.203 1.00 23.67 H new ATOM 0 HD3 LYS A 79 33.335 -5.565 17.564 1.00 23.67 H new ATOM 0 HE2 LYS A 79 31.977 -6.900 15.760 1.00 23.06 H new ATOM 0 HE3 LYS A 79 33.338 -6.566 14.709 1.00 23.06 H new ATOM 0 HZ1 LYS A 79 33.593 -8.684 15.824 1.00 23.82 H new ATOM 0 HZ2 LYS A 79 34.811 -7.614 16.328 1.00 23.82 H new ATOM 0 HZ3 LYS A 79 33.492 -7.938 17.346 1.00 23.82 H new ATOM 474 N LYS A 80 32.823 0.261 16.795 1.00 25.13 N ATOM 475 CA LYS A 80 33.480 1.383 17.451 1.00 25.81 C ATOM 476 C LYS A 80 32.467 2.252 18.191 1.00 28.50 C ATOM 477 O LYS A 80 32.800 2.907 19.178 1.00 29.52 O ATOM 478 CB LYS A 80 34.240 2.225 16.426 1.00 25.27 C ATOM 479 CG LYS A 80 35.697 1.823 16.265 1.00 23.91 C ATOM 480 CD LYS A 80 36.630 2.844 16.897 1.00 25.13 C ATOM 481 CE LYS A 80 37.047 3.910 15.897 1.00 25.59 C ATOM 482 NZ LYS A 80 37.974 4.906 16.503 1.00 27.25 N ATOM 0 H LYS A 80 32.732 0.358 15.784 1.00 25.13 H new ATOM 0 HA LYS A 80 34.186 0.983 18.178 1.00 25.81 H new ATOM 0 HB2 LYS A 80 33.741 2.144 15.460 1.00 25.27 H new ATOM 0 HB3 LYS A 80 34.192 3.273 16.722 1.00 25.27 H new ATOM 0 HG2 LYS A 80 35.859 0.848 16.724 1.00 23.91 H new ATOM 0 HG3 LYS A 80 35.932 1.720 15.206 1.00 23.91 H new ATOM 0 HD2 LYS A 80 36.135 3.314 17.747 1.00 25.13 H new ATOM 0 HD3 LYS A 80 37.516 2.339 17.283 1.00 25.13 H new ATOM 0 HE2 LYS A 80 37.530 3.437 15.042 1.00 25.59 H new ATOM 0 HE3 LYS A 80 36.161 4.421 15.520 1.00 25.59 H new ATOM 0 HZ1 LYS A 80 38.235 5.616 15.790 1.00 27.25 H new ATOM 0 HZ2 LYS A 80 37.504 5.376 17.303 1.00 27.25 H new ATOM 0 HZ3 LYS A 80 38.831 4.423 16.840 1.00 27.25 H new ATOM 496 N THR A 81 31.231 2.252 17.702 1.00 29.71 N ATOM 497 CA THR A 81 30.166 3.042 18.312 1.00 32.32 C ATOM 498 C THR A 81 29.786 2.487 19.680 1.00 33.39 C ATOM 499 O THR A 81 29.925 3.165 20.698 1.00 33.03 O ATOM 500 CB THR A 81 28.937 3.066 17.403 1.00 32.94 C ATOM 501 OG1 THR A 81 29.109 2.191 16.303 1.00 30.82 O ATOM 502 CG2 THR A 81 28.628 4.441 16.851 1.00 33.93 C ATOM 0 H THR A 81 30.942 1.714 16.885 1.00 29.71 H new ATOM 0 HA THR A 81 30.536 4.059 18.444 1.00 32.32 H new ATOM 0 HB THR A 81 28.106 2.749 18.033 1.00 32.94 H new ATOM 0 HG1 THR A 81 28.847 1.283 16.563 1.00 30.82 H new ATOM 0 HG21 THR A 81 27.745 4.387 16.214 1.00 33.93 H new ATOM 0 HG22 THR A 81 28.441 5.130 17.675 1.00 33.93 H new ATOM 0 HG23 THR A 81 29.476 4.797 16.266 1.00 33.93 H new ATOM 566 N ASP B 54 25.751 -6.202 18.989 1.00 33.18 N ATOM 567 CA ASP B 54 24.693 -5.848 18.048 1.00 31.32 C ATOM 568 C ASP B 54 25.259 -5.108 16.839 1.00 29.72 C ATOM 569 O ASP B 54 24.640 -5.079 15.775 1.00 28.91 O ATOM 570 CB ASP B 54 23.637 -4.984 18.739 1.00 31.68 C ATOM 571 CG ASP B 54 22.636 -5.809 19.523 1.00 31.84 C ATOM 572 OD1 ASP B 54 22.710 -7.055 19.455 1.00 32.11 O ATOM 573 OD2 ASP B 54 21.779 -5.211 20.205 1.00 31.86 O ATOM 0 HA ASP B 54 24.230 -6.771 17.700 1.00 31.32 H new ATOM 0 HB2 ASP B 54 24.130 -4.281 19.411 1.00 31.68 H new ATOM 0 HB3 ASP B 54 23.109 -4.393 17.991 1.00 31.68 H new ATOM 578 N ALA B 55 26.435 -4.512 17.006 1.00 29.41 N ATOM 579 CA ALA B 55 27.075 -3.775 15.924 1.00 28.02 C ATOM 580 C ALA B 55 27.241 -4.654 14.690 1.00 26.99 C ATOM 581 O ALA B 55 26.922 -4.242 13.574 1.00 25.45 O ATOM 582 CB ALA B 55 28.424 -3.236 16.377 1.00 28.68 C ATOM 0 H ALA B 55 26.963 -4.525 17.879 1.00 29.41 H new ATOM 0 HA ALA B 55 26.433 -2.935 15.658 1.00 28.02 H new ATOM 0 HB1 ALA B 55 28.890 -2.688 15.558 1.00 28.68 H new ATOM 0 HB2 ALA B 55 28.282 -2.568 17.227 1.00 28.68 H new ATOM 0 HB3 ALA B 55 29.067 -4.065 16.671 1.00 28.68 H new ATOM 588 N GLU B 56 27.738 -5.868 14.898 1.00 27.93 N ATOM 589 CA GLU B 56 27.942 -6.806 13.801 1.00 27.16 C ATOM 590 C GLU B 56 26.614 -7.148 13.133 1.00 26.50 C ATOM 591 O GLU B 56 26.469 -7.022 11.916 1.00 26.96 O ATOM 592 CB GLU B 56 28.618 -8.081 14.308 1.00 28.44 C ATOM 593 CG GLU B 56 28.986 -9.055 13.202 1.00 30.05 C ATOM 594 CD GLU B 56 28.670 -10.493 13.563 1.00 31.01 C ATOM 595 OE1 GLU B 56 28.984 -10.902 14.700 1.00 33.04 O ATOM 596 OE2 GLU B 56 28.108 -11.210 12.709 1.00 29.84 O ATOM 0 H GLU B 56 28.007 -6.225 15.815 1.00 27.93 H new ATOM 0 HA GLU B 56 28.591 -6.333 13.064 1.00 27.16 H new ATOM 0 HB2 GLU B 56 29.520 -7.810 14.857 1.00 28.44 H new ATOM 0 HB3 GLU B 56 27.953 -8.579 15.013 1.00 28.44 H new ATOM 0 HG2 GLU B 56 28.449 -8.786 12.292 1.00 30.05 H new ATOM 0 HG3 GLU B 56 30.050 -8.965 12.982 1.00 30.05 H new ATOM 603 N ARG B 57 25.648 -7.578 13.938 1.00 25.67 N ATOM 604 CA ARG B 57 24.330 -7.934 13.427 1.00 25.34 C ATOM 605 C ARG B 57 23.745 -6.795 12.602 1.00 23.84 C ATOM 606 O ARG B 57 23.072 -7.022 11.596 1.00 24.01 O ATOM 607 CB ARG B 57 23.387 -8.275 14.583 1.00 25.08 C ATOM 608 CG ARG B 57 22.990 -9.740 14.631 1.00 24.52 C ATOM 609 CD ARG B 57 21.631 -9.969 13.988 1.00 23.53 C ATOM 610 NE ARG B 57 20.618 -9.058 14.514 1.00 22.24 N ATOM 611 CZ ARG B 57 19.484 -8.772 13.882 1.00 20.05 C ATOM 612 NH1 ARG B 57 19.219 -9.326 12.707 1.00 18.98 N ATOM 613 NH2 ARG B 57 18.615 -7.932 14.425 1.00 19.03 N ATOM 0 H ARG B 57 25.753 -7.688 14.947 1.00 25.67 H new ATOM 0 HA ARG B 57 24.439 -8.808 12.785 1.00 25.34 H new ATOM 0 HB2 ARG B 57 23.867 -8.006 15.524 1.00 25.08 H new ATOM 0 HB3 ARG B 57 22.487 -7.666 14.499 1.00 25.08 H new ATOM 0 HG2 ARG B 57 23.742 -10.339 14.118 1.00 24.52 H new ATOM 0 HG3 ARG B 57 22.965 -10.078 15.667 1.00 24.52 H new ATOM 0 HD2 ARG B 57 21.713 -9.836 12.909 1.00 23.53 H new ATOM 0 HD3 ARG B 57 21.317 -10.999 14.160 1.00 23.53 H new ATOM 0 HE ARG B 57 20.790 -8.616 15.417 1.00 22.24 H new ATOM 0 HH11 ARG B 57 19.886 -9.973 12.286 1.00 18.98 H new ATOM 0 HH12 ARG B 57 18.348 -9.105 12.224 1.00 18.98 H new ATOM 0 HH21 ARG B 57 18.816 -7.504 15.329 1.00 19.03 H new ATOM 0 HH22 ARG B 57 17.745 -7.713 13.939 1.00 19.03 H new ATOM 627 N LEU B 58 24.010 -5.567 13.035 1.00 22.47 N ATOM 628 CA LEU B 58 23.512 -4.388 12.339 1.00 21.19 C ATOM 629 C LEU B 58 24.107 -4.291 10.943 1.00 19.35 C ATOM 630 O LEU B 58 23.385 -4.278 9.947 1.00 17.23 O ATOM 631 CB LEU B 58 23.844 -3.123 13.130 1.00 21.66 C ATOM 632 CG LEU B 58 22.725 -2.620 14.040 1.00 20.77 C ATOM 633 CD1 LEU B 58 23.290 -1.712 15.119 1.00 20.13 C ATOM 634 CD2 LEU B 58 21.666 -1.891 13.226 1.00 20.19 C ATOM 0 H LEU B 58 24.567 -5.363 13.865 1.00 22.47 H new ATOM 0 HA LEU B 58 22.430 -4.482 12.251 1.00 21.19 H new ATOM 0 HB2 LEU B 58 24.728 -3.314 13.738 1.00 21.66 H new ATOM 0 HB3 LEU B 58 24.105 -2.331 12.428 1.00 21.66 H new ATOM 0 HG LEU B 58 22.256 -3.478 14.522 1.00 20.77 H new ATOM 0 HD11 LEU B 58 22.481 -1.361 15.760 1.00 20.13 H new ATOM 0 HD12 LEU B 58 24.013 -2.265 15.718 1.00 20.13 H new ATOM 0 HD13 LEU B 58 23.782 -0.857 14.655 1.00 20.13 H new ATOM 0 HD21 LEU B 58 20.876 -1.539 13.889 1.00 20.19 H new ATOM 0 HD22 LEU B 58 22.120 -1.040 12.718 1.00 20.19 H new ATOM 0 HD23 LEU B 58 21.243 -2.571 12.487 1.00 20.19 H new ATOM 646 N ALA B 59 25.433 -4.229 10.880 1.00 20.31 N ATOM 647 CA ALA B 59 26.138 -4.137 9.607 1.00 18.90 C ATOM 648 C ALA B 59 25.590 -5.148 8.609 1.00 18.01 C ATOM 649 O ALA B 59 25.482 -4.863 7.417 1.00 17.87 O ATOM 650 CB ALA B 59 27.631 -4.350 9.813 1.00 18.92 C ATOM 0 H ALA B 59 26.042 -4.241 11.698 1.00 20.31 H new ATOM 0 HA ALA B 59 25.980 -3.138 9.200 1.00 18.90 H new ATOM 0 HB1 ALA B 59 28.144 -4.279 8.854 1.00 18.92 H new ATOM 0 HB2 ALA B 59 28.017 -3.587 10.489 1.00 18.92 H new ATOM 0 HB3 ALA B 59 27.802 -5.337 10.243 1.00 18.92 H new ATOM 656 N ASP B 60 25.237 -6.326 9.110 1.00 17.61 N ATOM 657 CA ASP B 60 24.690 -7.384 8.269 1.00 16.77 C ATOM 658 C ASP B 60 23.419 -6.914 7.571 1.00 13.76 C ATOM 659 O ASP B 60 23.265 -7.080 6.361 1.00 12.74 O ATOM 660 CB ASP B 60 24.399 -8.632 9.104 1.00 17.96 C ATOM 661 CG ASP B 60 24.270 -9.881 8.256 1.00 19.28 C ATOM 662 OD1 ASP B 60 23.295 -9.975 7.481 1.00 18.58 O ATOM 663 OD2 ASP B 60 25.143 -10.767 8.367 1.00 21.15 O ATOM 0 H ASP B 60 25.320 -6.573 10.096 1.00 17.61 H new ATOM 0 HA ASP B 60 25.431 -7.633 7.510 1.00 16.77 H new ATOM 0 HB2 ASP B 60 25.198 -8.772 9.832 1.00 17.96 H new ATOM 0 HB3 ASP B 60 23.478 -8.482 9.667 1.00 17.96 H new ATOM 668 N GLU B 61 22.512 -6.320 8.341 1.00 12.56 N ATOM 669 CA GLU B 61 21.258 -5.819 7.793 1.00 9.70 C ATOM 670 C GLU B 61 21.531 -4.755 6.737 1.00 8.52 C ATOM 671 O GLU B 61 20.832 -4.670 5.726 1.00 6.98 O ATOM 672 CB GLU B 61 20.384 -5.240 8.908 1.00 9.53 C ATOM 673 CG GLU B 61 20.027 -6.251 9.985 1.00 11.86 C ATOM 674 CD GLU B 61 18.831 -5.824 10.812 1.00 12.78 C ATOM 675 OE1 GLU B 61 18.994 -4.941 11.680 1.00 14.55 O ATOM 676 OE2 GLU B 61 17.731 -6.372 10.591 1.00 12.08 O ATOM 0 H GLU B 61 22.623 -6.175 9.344 1.00 12.56 H new ATOM 0 HA GLU B 61 20.727 -6.649 7.327 1.00 9.70 H new ATOM 0 HB2 GLU B 61 20.905 -4.400 9.368 1.00 9.53 H new ATOM 0 HB3 GLU B 61 19.466 -4.846 8.472 1.00 9.53 H new ATOM 0 HG2 GLU B 61 19.817 -7.214 9.519 1.00 11.86 H new ATOM 0 HG3 GLU B 61 20.885 -6.395 10.641 1.00 11.86 H new ATOM 683 N GLN B 62 22.560 -3.952 6.976 1.00 9.63 N ATOM 684 CA GLN B 62 22.941 -2.898 6.046 1.00 9.00 C ATOM 685 C GLN B 62 23.493 -3.499 4.757 1.00 10.15 C ATOM 686 O GLN B 62 23.055 -3.155 3.659 1.00 10.36 O ATOM 687 CB GLN B 62 23.989 -1.987 6.678 1.00 8.34 C ATOM 688 CG GLN B 62 23.789 -1.762 8.170 1.00 8.25 C ATOM 689 CD GLN B 62 22.348 -1.460 8.527 1.00 5.58 C ATOM 690 OE1 GLN B 62 21.546 -1.094 7.669 1.00 3.81 O ATOM 691 NE2 GLN B 62 22.012 -1.612 9.804 1.00 6.01 N ATOM 0 H GLN B 62 23.147 -4.011 7.808 1.00 9.63 H new ATOM 0 HA GLN B 62 22.053 -2.311 5.811 1.00 9.00 H new ATOM 0 HB2 GLN B 62 24.977 -2.417 6.514 1.00 8.34 H new ATOM 0 HB3 GLN B 62 23.973 -1.023 6.169 1.00 8.34 H new ATOM 0 HG2 GLN B 62 24.116 -2.648 8.714 1.00 8.25 H new ATOM 0 HG3 GLN B 62 24.421 -0.936 8.497 1.00 8.25 H new ATOM 0 HE21 GLN B 62 22.710 -1.918 10.482 1.00 6.01 H new ATOM 0 HE22 GLN B 62 21.056 -1.423 10.106 1.00 6.01 H new ATOM 700 N SER B 63 24.463 -4.400 4.901 1.00 11.24 N ATOM 701 CA SER B 63 25.081 -5.050 3.749 1.00 12.61 C ATOM 702 C SER B 63 24.021 -5.616 2.808 1.00 11.75 C ATOM 703 O SER B 63 23.887 -5.163 1.671 1.00 10.65 O ATOM 704 CB SER B 63 26.035 -6.167 4.190 1.00 15.56 C ATOM 705 OG SER B 63 26.056 -6.318 5.599 1.00 16.14 O ATOM 0 H SER B 63 24.837 -4.696 5.803 1.00 11.24 H new ATOM 0 HA SER B 63 25.655 -4.292 3.216 1.00 12.61 H new ATOM 0 HB2 SER B 63 25.732 -7.107 3.729 1.00 15.56 H new ATOM 0 HB3 SER B 63 27.041 -5.947 3.833 1.00 15.56 H new ATOM 0 HG SER B 63 26.362 -5.484 6.013 1.00 16.14 H new ATOM 711 N GLU B 64 23.271 -6.607 3.284 1.00 12.72 N ATOM 712 CA GLU B 64 22.226 -7.230 2.476 1.00 13.09 C ATOM 713 C GLU B 64 21.361 -6.174 1.791 1.00 10.75 C ATOM 714 O GLU B 64 20.871 -6.382 0.683 1.00 10.78 O ATOM 715 CB GLU B 64 21.361 -8.151 3.344 1.00 14.51 C ATOM 716 CG GLU B 64 20.343 -7.419 4.204 1.00 13.07 C ATOM 717 CD GLU B 64 19.833 -8.268 5.355 1.00 14.82 C ATOM 718 OE1 GLU B 64 20.531 -9.231 5.738 1.00 15.81 O ATOM 719 OE2 GLU B 64 18.737 -7.968 5.873 1.00 15.38 O ATOM 0 H GLU B 64 23.367 -6.995 4.222 1.00 12.72 H new ATOM 0 HA GLU B 64 22.706 -7.828 1.701 1.00 13.09 H new ATOM 0 HB2 GLU B 64 20.836 -8.854 2.697 1.00 14.51 H new ATOM 0 HB3 GLU B 64 22.012 -8.739 3.991 1.00 14.51 H new ATOM 0 HG2 GLU B 64 20.795 -6.510 4.600 1.00 13.07 H new ATOM 0 HG3 GLU B 64 19.501 -7.112 3.583 1.00 13.07 H new ATOM 726 N LEU B 65 21.187 -5.038 2.460 1.00 9.35 N ATOM 727 CA LEU B 65 20.393 -3.947 1.914 1.00 7.45 C ATOM 728 C LEU B 65 21.089 -3.326 0.707 1.00 5.66 C ATOM 729 O LEU B 65 20.450 -3.005 -0.295 1.00 4.71 O ATOM 730 CB LEU B 65 20.151 -2.880 2.986 1.00 7.76 C ATOM 731 CG LEU B 65 18.683 -2.633 3.334 1.00 9.50 C ATOM 732 CD1 LEU B 65 18.513 -2.456 4.836 1.00 10.23 C ATOM 733 CD2 LEU B 65 18.159 -1.414 2.589 1.00 8.85 C ATOM 0 H LEU B 65 21.586 -4.851 3.380 1.00 9.35 H new ATOM 0 HA LEU B 65 19.433 -4.350 1.591 1.00 7.45 H new ATOM 0 HB2 LEU B 65 20.679 -3.172 3.893 1.00 7.76 H new ATOM 0 HB3 LEU B 65 20.591 -1.942 2.649 1.00 7.76 H new ATOM 0 HG LEU B 65 18.103 -3.502 3.024 1.00 9.50 H new ATOM 0 HD11 LEU B 65 17.462 -2.281 5.065 1.00 10.23 H new ATOM 0 HD12 LEU B 65 18.851 -3.356 5.349 1.00 10.23 H new ATOM 0 HD13 LEU B 65 19.104 -1.604 5.171 1.00 10.23 H new ATOM 0 HD21 LEU B 65 17.113 -1.252 2.848 1.00 8.85 H new ATOM 0 HD22 LEU B 65 18.742 -0.537 2.870 1.00 8.85 H new ATOM 0 HD23 LEU B 65 18.246 -1.579 1.515 1.00 8.85 H new ATOM 745 N VAL B 66 22.405 -3.161 0.811 1.00 5.84 N ATOM 746 CA VAL B 66 23.194 -2.580 -0.267 1.00 5.77 C ATOM 747 C VAL B 66 23.215 -3.491 -1.490 1.00 5.92 C ATOM 748 O VAL B 66 23.173 -3.021 -2.627 1.00 6.04 O ATOM 749 CB VAL B 66 24.642 -2.310 0.181 1.00 6.71 C ATOM 750 CG1 VAL B 66 25.413 -1.578 -0.907 1.00 7.75 C ATOM 751 CG2 VAL B 66 24.660 -1.520 1.482 1.00 6.76 C ATOM 0 H VAL B 66 22.947 -3.423 1.634 1.00 5.84 H new ATOM 0 HA VAL B 66 22.719 -1.635 -0.531 1.00 5.77 H new ATOM 0 HB VAL B 66 25.132 -3.268 0.357 1.00 6.71 H new ATOM 0 HG11 VAL B 66 26.434 -1.397 -0.570 1.00 7.75 H new ATOM 0 HG12 VAL B 66 25.432 -2.186 -1.812 1.00 7.75 H new ATOM 0 HG13 VAL B 66 24.927 -0.626 -1.120 1.00 7.75 H new ATOM 0 HG21 VAL B 66 25.692 -1.339 1.783 1.00 6.76 H new ATOM 0 HG22 VAL B 66 24.152 -0.567 1.336 1.00 6.76 H new ATOM 0 HG23 VAL B 66 24.150 -2.088 2.260 1.00 6.76 H new ATOM 761 N LYS B 67 23.288 -4.795 -1.248 1.00 6.38 N ATOM 762 CA LYS B 67 23.319 -5.773 -2.329 1.00 6.64 C ATOM 763 C LYS B 67 22.087 -5.649 -3.218 1.00 6.41 C ATOM 764 O LYS B 67 22.200 -5.545 -4.439 1.00 6.23 O ATOM 765 CB LYS B 67 23.413 -7.191 -1.764 1.00 6.68 C ATOM 766 CG LYS B 67 24.112 -8.172 -2.693 1.00 9.07 C ATOM 767 CD LYS B 67 23.883 -9.610 -2.258 1.00 9.06 C ATOM 768 CE LYS B 67 23.823 -10.549 -3.451 1.00 10.47 C ATOM 769 NZ LYS B 67 22.667 -11.485 -3.364 1.00 9.67 N ATOM 0 H LYS B 67 23.327 -5.199 -0.312 1.00 6.38 H new ATOM 0 HA LYS B 67 24.202 -5.572 -2.936 1.00 6.64 H new ATOM 0 HB2 LYS B 67 23.947 -7.160 -0.814 1.00 6.68 H new ATOM 0 HB3 LYS B 67 22.408 -7.556 -1.553 1.00 6.68 H new ATOM 0 HG2 LYS B 67 23.745 -8.036 -3.710 1.00 9.07 H new ATOM 0 HG3 LYS B 67 25.181 -7.961 -2.709 1.00 9.07 H new ATOM 0 HD2 LYS B 67 24.685 -9.921 -1.589 1.00 9.06 H new ATOM 0 HD3 LYS B 67 22.953 -9.677 -1.694 1.00 9.06 H new ATOM 0 HE2 LYS B 67 23.749 -9.966 -4.369 1.00 10.47 H new ATOM 0 HE3 LYS B 67 24.749 -11.121 -3.510 1.00 10.47 H new ATOM 0 HZ1 LYS B 67 22.411 -11.811 -4.318 1.00 9.67 H new ATOM 0 HZ2 LYS B 67 22.926 -12.303 -2.777 1.00 9.67 H new ATOM 0 HZ3 LYS B 67 21.855 -10.995 -2.936 1.00 9.67 H new ATOM 783 N LYS B 68 20.910 -5.663 -2.602 1.00 7.15 N ATOM 784 CA LYS B 68 19.661 -5.551 -3.346 1.00 7.66 C ATOM 785 C LYS B 68 19.618 -4.253 -4.145 1.00 8.31 C ATOM 786 O LYS B 68 19.027 -4.195 -5.223 1.00 9.04 O ATOM 787 CB LYS B 68 18.466 -5.617 -2.394 1.00 7.23 C ATOM 788 CG LYS B 68 17.131 -5.771 -3.104 1.00 8.27 C ATOM 789 CD LYS B 68 16.006 -6.059 -2.120 1.00 9.64 C ATOM 790 CE LYS B 68 14.643 -5.917 -2.776 1.00 9.73 C ATOM 791 NZ LYS B 68 13.544 -6.357 -1.872 1.00 11.06 N ATOM 0 H LYS B 68 20.795 -5.751 -1.592 1.00 7.15 H new ATOM 0 HA LYS B 68 19.607 -6.388 -4.043 1.00 7.66 H new ATOM 0 HB2 LYS B 68 18.603 -6.454 -1.710 1.00 7.23 H new ATOM 0 HB3 LYS B 68 18.444 -4.711 -1.789 1.00 7.23 H new ATOM 0 HG2 LYS B 68 16.906 -4.860 -3.659 1.00 8.27 H new ATOM 0 HG3 LYS B 68 17.196 -6.580 -3.831 1.00 8.27 H new ATOM 0 HD2 LYS B 68 16.117 -7.068 -1.724 1.00 9.64 H new ATOM 0 HD3 LYS B 68 16.077 -5.375 -1.274 1.00 9.64 H new ATOM 0 HE2 LYS B 68 14.484 -4.877 -3.062 1.00 9.73 H new ATOM 0 HE3 LYS B 68 14.618 -6.507 -3.692 1.00 9.73 H new ATOM 0 HZ1 LYS B 68 12.630 -6.245 -2.356 1.00 11.06 H new ATOM 0 HZ2 LYS B 68 13.681 -7.356 -1.619 1.00 11.06 H new ATOM 0 HZ3 LYS B 68 13.552 -5.777 -1.008 1.00 11.06 H new ATOM 805 N MET B 69 20.249 -3.214 -3.608 1.00 8.22 N ATOM 806 CA MET B 69 20.283 -1.915 -4.269 1.00 8.87 C ATOM 807 C MET B 69 21.182 -1.956 -5.501 1.00 9.70 C ATOM 808 O MET B 69 20.787 -1.526 -6.585 1.00 11.17 O ATOM 809 CB MET B 69 20.779 -0.840 -3.300 1.00 8.25 C ATOM 810 CG MET B 69 20.702 0.569 -3.865 1.00 9.41 C ATOM 811 SD MET B 69 21.712 1.743 -2.941 1.00 8.66 S ATOM 812 CE MET B 69 23.290 0.894 -2.926 1.00 6.87 C ATOM 0 H MET B 69 20.744 -3.247 -2.717 1.00 8.22 H new ATOM 0 HA MET B 69 19.270 -1.670 -4.587 1.00 8.87 H new ATOM 0 HB2 MET B 69 20.190 -0.888 -2.384 1.00 8.25 H new ATOM 0 HB3 MET B 69 21.812 -1.057 -3.027 1.00 8.25 H new ATOM 0 HG2 MET B 69 21.026 0.557 -4.906 1.00 9.41 H new ATOM 0 HG3 MET B 69 19.665 0.903 -3.858 1.00 9.41 H new ATOM 0 HE1 MET B 69 24.086 1.610 -2.721 1.00 6.87 H new ATOM 0 HE2 MET B 69 23.283 0.127 -2.152 1.00 6.87 H new ATOM 0 HE3 MET B 69 23.462 0.428 -3.896 1.00 6.87 H new ATOM 822 N VAL B 70 22.392 -2.475 -5.325 1.00 9.16 N ATOM 823 CA VAL B 70 23.346 -2.572 -6.421 1.00 9.81 C ATOM 824 C VAL B 70 22.999 -3.730 -7.350 1.00 10.93 C ATOM 825 O VAL B 70 23.365 -3.727 -8.527 1.00 10.55 O ATOM 826 CB VAL B 70 24.783 -2.754 -5.899 1.00 10.01 C ATOM 827 CG1 VAL B 70 25.770 -2.799 -7.055 1.00 10.18 C ATOM 828 CG2 VAL B 70 25.137 -1.639 -4.925 1.00 9.41 C ATOM 0 H VAL B 70 22.734 -2.835 -4.434 1.00 9.16 H new ATOM 0 HA VAL B 70 23.288 -1.636 -6.977 1.00 9.81 H new ATOM 0 HB VAL B 70 24.843 -3.704 -5.368 1.00 10.01 H new ATOM 0 HG11 VAL B 70 26.780 -2.928 -6.666 1.00 10.18 H new ATOM 0 HG12 VAL B 70 25.524 -3.634 -7.711 1.00 10.18 H new ATOM 0 HG13 VAL B 70 25.714 -1.867 -7.618 1.00 10.18 H new ATOM 0 HG21 VAL B 70 26.156 -1.781 -4.564 1.00 9.41 H new ATOM 0 HG22 VAL B 70 25.062 -0.676 -5.431 1.00 9.41 H new ATOM 0 HG23 VAL B 70 24.447 -1.660 -4.081 1.00 9.41 H new ATOM 838 N PHE B 71 22.288 -4.717 -6.818 1.00 12.71 N ATOM 839 CA PHE B 71 21.888 -5.878 -7.602 1.00 13.98 C ATOM 840 C PHE B 71 21.012 -5.458 -8.775 1.00 16.56 C ATOM 841 O PHE B 71 21.281 -5.810 -9.924 1.00 17.48 O ATOM 842 CB PHE B 71 21.138 -6.881 -6.724 1.00 14.52 C ATOM 843 CG PHE B 71 20.677 -8.103 -7.467 1.00 14.16 C ATOM 844 CD1 PHE B 71 21.583 -8.867 -8.215 1.00 13.57 C ATOM 845 CD2 PHE B 71 19.333 -8.498 -7.424 1.00 14.69 C ATOM 846 CE1 PHE B 71 21.157 -10.004 -8.908 1.00 13.47 C ATOM 847 CE2 PHE B 71 18.901 -9.635 -8.115 1.00 14.35 C ATOM 848 CZ PHE B 71 19.814 -10.388 -8.858 1.00 13.70 C ATOM 0 H PHE B 71 21.977 -4.736 -5.847 1.00 12.71 H new ATOM 0 HA PHE B 71 22.789 -6.353 -7.991 1.00 13.98 H new ATOM 0 HB2 PHE B 71 21.786 -7.188 -5.903 1.00 14.52 H new ATOM 0 HB3 PHE B 71 20.273 -6.388 -6.281 1.00 14.52 H new ATOM 0 HD1 PHE B 71 22.622 -8.574 -8.257 1.00 13.57 H new ATOM 0 HD2 PHE B 71 18.624 -7.919 -6.852 1.00 14.69 H new ATOM 0 HE1 PHE B 71 21.865 -10.585 -9.481 1.00 13.47 H new ATOM 0 HE2 PHE B 71 17.863 -9.930 -8.074 1.00 14.35 H new ATOM 0 HZ PHE B 71 19.482 -11.266 -9.393 1.00 13.70 H new ATOM 858 N ASP B 72 19.964 -4.694 -8.480 1.00 17.98 N ATOM 859 CA ASP B 72 19.054 -4.220 -9.512 1.00 20.52 C ATOM 860 C ASP B 72 19.771 -3.268 -10.463 1.00 20.63 C ATOM 861 O ASP B 72 19.566 -3.314 -11.677 1.00 20.83 O ATOM 862 CB ASP B 72 17.848 -3.523 -8.880 1.00 21.95 C ATOM 863 CG ASP B 72 16.576 -4.337 -9.012 1.00 23.14 C ATOM 864 OD1 ASP B 72 16.554 -5.489 -8.529 1.00 22.45 O ATOM 865 OD2 ASP B 72 15.601 -3.824 -9.601 1.00 24.81 O ATOM 0 H ASP B 72 19.726 -4.392 -7.535 1.00 17.98 H new ATOM 0 HA ASP B 72 18.703 -5.081 -10.081 1.00 20.52 H new ATOM 0 HB2 ASP B 72 18.050 -3.338 -7.825 1.00 21.95 H new ATOM 0 HB3 ASP B 72 17.705 -2.551 -9.352 1.00 21.95 H new ATOM 870 N THR B 73 20.618 -2.409 -9.905 1.00 20.72 N ATOM 871 CA THR B 73 21.372 -1.450 -10.704 1.00 21.09 C ATOM 872 C THR B 73 22.179 -2.164 -11.782 1.00 22.64 C ATOM 873 O THR B 73 22.056 -1.860 -12.969 1.00 24.47 O ATOM 874 CB THR B 73 22.305 -0.631 -9.811 1.00 18.95 C ATOM 875 OG1 THR B 73 21.563 0.153 -8.893 1.00 19.75 O ATOM 876 CG2 THR B 73 23.207 0.305 -10.588 1.00 18.19 C ATOM 0 H THR B 73 20.799 -2.357 -8.903 1.00 20.72 H new ATOM 0 HA THR B 73 20.663 -0.778 -11.187 1.00 21.09 H new ATOM 0 HB THR B 73 22.925 -1.363 -9.294 1.00 18.95 H new ATOM 0 HG1 THR B 73 21.316 -0.395 -8.119 1.00 19.75 H new ATOM 0 HG21 THR B 73 23.843 0.856 -9.895 1.00 18.19 H new ATOM 0 HG22 THR B 73 23.830 -0.273 -11.271 1.00 18.19 H new ATOM 0 HG23 THR B 73 22.598 1.007 -11.158 1.00 18.19 H new ATOM 884 N LEU B 74 23.006 -3.117 -11.361 1.00 21.97 N ATOM 885 CA LEU B 74 23.834 -3.877 -12.290 1.00 23.43 C ATOM 886 C LEU B 74 22.973 -4.587 -13.330 1.00 24.79 C ATOM 887 O LEU B 74 23.308 -4.612 -14.513 1.00 26.40 O ATOM 888 CB LEU B 74 24.685 -4.898 -11.532 1.00 23.17 C ATOM 889 CG LEU B 74 25.825 -4.305 -10.705 1.00 21.59 C ATOM 890 CD1 LEU B 74 26.155 -5.208 -9.527 1.00 21.82 C ATOM 891 CD2 LEU B 74 27.056 -4.087 -11.572 1.00 21.61 C ATOM 0 H LEU B 74 23.120 -3.381 -10.382 1.00 21.97 H new ATOM 0 HA LEU B 74 24.493 -3.178 -12.805 1.00 23.43 H new ATOM 0 HB2 LEU B 74 24.035 -5.469 -10.869 1.00 23.17 H new ATOM 0 HB3 LEU B 74 25.106 -5.602 -12.250 1.00 23.17 H new ATOM 0 HG LEU B 74 25.502 -3.339 -10.317 1.00 21.59 H new ATOM 0 HD11 LEU B 74 26.969 -4.770 -8.949 1.00 21.82 H new ATOM 0 HD12 LEU B 74 25.275 -5.314 -8.892 1.00 21.82 H new ATOM 0 HD13 LEU B 74 26.458 -6.189 -9.894 1.00 21.82 H new ATOM 0 HD21 LEU B 74 27.857 -3.664 -10.966 1.00 21.61 H new ATOM 0 HD22 LEU B 74 27.381 -5.040 -11.989 1.00 21.61 H new ATOM 0 HD23 LEU B 74 26.813 -3.400 -12.383 1.00 21.61 H new ATOM 903 N LYS B 75 21.861 -5.162 -12.880 1.00 24.28 N ATOM 904 CA LYS B 75 20.951 -5.870 -13.775 1.00 25.54 C ATOM 905 C LYS B 75 20.622 -5.015 -14.992 1.00 26.03 C ATOM 906 O LYS B 75 20.577 -5.509 -16.119 1.00 26.86 O ATOM 907 CB LYS B 75 19.665 -6.248 -13.038 1.00 25.18 C ATOM 908 CG LYS B 75 18.738 -7.139 -13.848 1.00 25.06 C ATOM 909 CD LYS B 75 18.404 -8.421 -13.103 1.00 24.23 C ATOM 910 CE LYS B 75 17.440 -8.163 -11.955 1.00 24.71 C ATOM 911 NZ LYS B 75 16.756 -9.409 -11.512 1.00 25.12 N ATOM 0 H LYS B 75 21.569 -5.152 -11.903 1.00 24.28 H new ATOM 0 HA LYS B 75 21.445 -6.781 -14.113 1.00 25.54 H new ATOM 0 HB2 LYS B 75 19.925 -6.757 -12.110 1.00 25.18 H new ATOM 0 HB3 LYS B 75 19.132 -5.337 -12.764 1.00 25.18 H new ATOM 0 HG2 LYS B 75 17.819 -6.599 -14.074 1.00 25.06 H new ATOM 0 HG3 LYS B 75 19.207 -7.383 -14.801 1.00 25.06 H new ATOM 0 HD2 LYS B 75 17.965 -9.141 -13.794 1.00 24.23 H new ATOM 0 HD3 LYS B 75 19.320 -8.868 -12.717 1.00 24.23 H new ATOM 0 HE2 LYS B 75 17.983 -7.729 -11.115 1.00 24.71 H new ATOM 0 HE3 LYS B 75 16.695 -7.430 -12.265 1.00 24.71 H new ATOM 0 HZ1 LYS B 75 16.108 -9.190 -10.729 1.00 25.12 H new ATOM 0 HZ2 LYS B 75 16.216 -9.810 -12.306 1.00 25.12 H new ATOM 0 HZ3 LYS B 75 17.465 -10.099 -11.192 1.00 25.12 H new ATOM 925 N ASP B 76 20.403 -3.728 -14.755 1.00 25.57 N ATOM 926 CA ASP B 76 20.087 -2.795 -15.826 1.00 26.06 C ATOM 927 C ASP B 76 21.349 -2.416 -16.593 1.00 26.54 C ATOM 928 O ASP B 76 21.303 -2.148 -17.794 1.00 27.49 O ATOM 929 CB ASP B 76 19.422 -1.540 -15.260 1.00 24.97 C ATOM 930 CG ASP B 76 18.361 -0.981 -16.187 1.00 26.44 C ATOM 931 OD1 ASP B 76 18.059 -1.636 -17.206 1.00 27.56 O ATOM 932 OD2 ASP B 76 17.832 0.111 -15.893 1.00 26.64 O ATOM 0 H ASP B 76 20.439 -3.306 -13.827 1.00 25.57 H new ATOM 0 HA ASP B 76 19.394 -3.282 -16.512 1.00 26.06 H new ATOM 0 HB2 ASP B 76 18.971 -1.774 -14.296 1.00 24.97 H new ATOM 0 HB3 ASP B 76 20.181 -0.779 -15.080 1.00 24.97 H new ATOM 937 N LEU B 77 22.476 -2.396 -15.887 1.00 25.91 N ATOM 938 CA LEU B 77 23.755 -2.051 -16.493 1.00 26.30 C ATOM 939 C LEU B 77 24.146 -3.074 -17.555 1.00 27.38 C ATOM 940 O LEU B 77 24.640 -2.717 -18.624 1.00 28.12 O ATOM 941 CB LEU B 77 24.843 -1.971 -15.420 1.00 25.86 C ATOM 942 CG LEU B 77 24.936 -0.630 -14.692 1.00 26.01 C ATOM 943 CD1 LEU B 77 25.854 -0.741 -13.484 1.00 23.64 C ATOM 944 CD2 LEU B 77 25.425 0.456 -15.639 1.00 27.43 C ATOM 0 H LEU B 77 22.528 -2.616 -14.892 1.00 25.91 H new ATOM 0 HA LEU B 77 23.653 -1.077 -16.972 1.00 26.30 H new ATOM 0 HB2 LEU B 77 24.665 -2.755 -14.684 1.00 25.86 H new ATOM 0 HB3 LEU B 77 25.806 -2.183 -15.884 1.00 25.86 H new ATOM 0 HG LEU B 77 23.941 -0.358 -14.341 1.00 26.01 H new ATOM 0 HD11 LEU B 77 25.908 0.223 -12.978 1.00 23.64 H new ATOM 0 HD12 LEU B 77 25.461 -1.490 -12.796 1.00 23.64 H new ATOM 0 HD13 LEU B 77 26.851 -1.036 -13.811 1.00 23.64 H new ATOM 0 HD21 LEU B 77 25.486 1.404 -15.105 1.00 27.43 H new ATOM 0 HD22 LEU B 77 26.411 0.190 -16.019 1.00 27.43 H new ATOM 0 HD23 LEU B 77 24.729 0.553 -16.472 1.00 27.43 H new ATOM 956 N TYR B 78 23.921 -4.348 -17.251 1.00 27.45 N ATOM 957 CA TYR B 78 24.246 -5.425 -18.175 1.00 28.43 C ATOM 958 C TYR B 78 23.119 -5.636 -19.182 1.00 31.45 C ATOM 959 O TYR B 78 23.364 -5.883 -20.362 1.00 32.86 O ATOM 960 CB TYR B 78 24.502 -6.720 -17.404 1.00 27.23 C ATOM 961 CG TYR B 78 25.906 -6.828 -16.852 1.00 25.24 C ATOM 962 CD1 TYR B 78 27.024 -6.706 -17.695 1.00 23.64 C ATOM 963 CD2 TYR B 78 26.127 -7.052 -15.482 1.00 25.00 C ATOM 964 CE1 TYR B 78 28.322 -6.805 -17.188 1.00 21.86 C ATOM 965 CE2 TYR B 78 27.422 -7.152 -14.967 1.00 23.27 C ATOM 966 CZ TYR B 78 28.516 -7.028 -15.825 1.00 21.70 C ATOM 967 OH TYR B 78 29.793 -7.126 -15.323 1.00 20.07 O ATOM 0 H TYR B 78 23.514 -4.659 -16.369 1.00 27.45 H new ATOM 0 HA TYR B 78 25.148 -5.146 -18.719 1.00 28.43 H new ATOM 0 HB2 TYR B 78 23.791 -6.790 -16.581 1.00 27.23 H new ATOM 0 HB3 TYR B 78 24.313 -7.568 -18.062 1.00 27.23 H new ATOM 0 HD1 TYR B 78 26.877 -6.533 -18.751 1.00 23.64 H new ATOM 0 HD2 TYR B 78 25.282 -7.148 -14.817 1.00 25.00 H new ATOM 0 HE1 TYR B 78 29.171 -6.709 -17.848 1.00 21.86 H new ATOM 0 HE2 TYR B 78 27.576 -7.324 -13.912 1.00 23.27 H new ATOM 0 HH TYR B 78 29.753 -7.281 -14.356 1.00 20.07 H new ATOM 977 N LYS B 79 21.883 -5.533 -18.704 1.00 32.58 N ATOM 978 CA LYS B 79 20.716 -5.710 -19.560 1.00 35.47 C ATOM 979 C LYS B 79 20.797 -4.805 -20.783 1.00 36.88 C ATOM 980 O LYS B 79 20.571 -5.246 -21.911 1.00 38.20 O ATOM 981 CB LYS B 79 19.435 -5.415 -18.776 1.00 36.53 C ATOM 982 CG LYS B 79 18.179 -5.452 -19.630 1.00 38.17 C ATOM 983 CD LYS B 79 16.943 -5.728 -18.789 1.00 40.27 C ATOM 984 CE LYS B 79 15.769 -4.867 -19.225 1.00 41.84 C ATOM 985 NZ LYS B 79 16.102 -3.417 -19.195 1.00 42.83 N ATOM 0 H LYS B 79 21.664 -5.328 -17.729 1.00 32.58 H new ATOM 0 HA LYS B 79 20.697 -6.746 -19.898 1.00 35.47 H new ATOM 0 HB2 LYS B 79 19.337 -6.141 -17.969 1.00 36.53 H new ATOM 0 HB3 LYS B 79 19.521 -4.432 -18.312 1.00 36.53 H new ATOM 0 HG2 LYS B 79 18.062 -4.501 -20.149 1.00 38.17 H new ATOM 0 HG3 LYS B 79 18.280 -6.222 -20.395 1.00 38.17 H new ATOM 0 HD2 LYS B 79 16.674 -6.781 -18.871 1.00 40.27 H new ATOM 0 HD3 LYS B 79 17.166 -5.537 -17.739 1.00 40.27 H new ATOM 0 HE2 LYS B 79 15.467 -5.149 -20.234 1.00 41.84 H new ATOM 0 HE3 LYS B 79 14.917 -5.057 -18.572 1.00 41.84 H new ATOM 0 HZ1 LYS B 79 15.254 -2.871 -18.943 1.00 42.83 H new ATOM 0 HZ2 LYS B 79 16.846 -3.246 -18.489 1.00 42.83 H new ATOM 0 HZ3 LYS B 79 16.439 -3.119 -20.133 1.00 42.83 H new ATOM 1103 N ALA C 55 26.723 13.097 18.411 1.00 30.09 N ATOM 1104 CA ALA C 55 26.119 11.890 17.862 1.00 27.60 C ATOM 1105 C ALA C 55 25.505 12.168 16.495 1.00 25.70 C ATOM 1106 O ALA C 55 25.642 11.370 15.568 1.00 24.01 O ATOM 1107 CB ALA C 55 25.069 11.344 18.818 1.00 26.91 C ATOM 0 HA ALA C 55 26.900 11.140 17.737 1.00 27.60 H new ATOM 0 HB1 ALA C 55 24.626 10.442 18.395 1.00 26.91 H new ATOM 0 HB2 ALA C 55 25.536 11.105 19.774 1.00 26.91 H new ATOM 0 HB3 ALA C 55 24.292 12.093 18.971 1.00 26.91 H new ATOM 1113 N GLU C 56 24.829 13.307 16.376 1.00 26.16 N ATOM 1114 CA GLU C 56 24.198 13.694 15.121 1.00 24.66 C ATOM 1115 C GLU C 56 25.252 13.948 14.050 1.00 24.67 C ATOM 1116 O GLU C 56 25.195 13.380 12.959 1.00 24.32 O ATOM 1117 CB GLU C 56 23.341 14.945 15.318 1.00 25.81 C ATOM 1118 CG GLU C 56 22.428 15.247 14.142 1.00 26.02 C ATOM 1119 CD GLU C 56 22.116 16.725 14.012 1.00 26.89 C ATOM 1120 OE1 GLU C 56 22.663 17.520 14.804 1.00 28.21 O ATOM 1121 OE2 GLU C 56 21.323 17.087 13.116 1.00 26.38 O ATOM 0 H GLU C 56 24.705 13.978 17.135 1.00 26.16 H new ATOM 0 HA GLU C 56 23.556 12.876 14.794 1.00 24.66 H new ATOM 0 HB2 GLU C 56 22.735 14.823 16.216 1.00 25.81 H new ATOM 0 HB3 GLU C 56 23.995 15.800 15.489 1.00 25.81 H new ATOM 0 HG2 GLU C 56 22.897 14.896 13.223 1.00 26.02 H new ATOM 0 HG3 GLU C 56 21.497 14.691 14.257 1.00 26.02 H new ATOM 1128 N ARG C 57 26.216 14.799 14.375 1.00 25.22 N ATOM 1129 CA ARG C 57 27.292 15.124 13.448 1.00 25.32 C ATOM 1130 C ARG C 57 28.104 13.878 13.123 1.00 25.56 C ATOM 1131 O ARG C 57 28.430 13.618 11.965 1.00 25.87 O ATOM 1132 CB ARG C 57 28.199 16.202 14.041 1.00 25.27 C ATOM 1133 CG ARG C 57 27.894 17.602 13.534 1.00 24.68 C ATOM 1134 CD ARG C 57 28.704 18.652 14.275 1.00 24.68 C ATOM 1135 NE ARG C 57 28.071 19.049 15.530 1.00 24.65 N ATOM 1136 CZ ARG C 57 28.659 19.816 16.442 1.00 25.15 C ATOM 1137 NH1 ARG C 57 29.892 20.260 16.241 1.00 25.73 N ATOM 1138 NH2 ARG C 57 28.016 20.139 17.555 1.00 25.10 N ATOM 0 H ARG C 57 26.275 15.277 15.274 1.00 25.22 H new ATOM 0 HA ARG C 57 26.851 15.506 12.527 1.00 25.32 H new ATOM 0 HB2 ARG C 57 28.103 16.189 15.127 1.00 25.27 H new ATOM 0 HB3 ARG C 57 29.236 15.959 13.810 1.00 25.27 H new ATOM 0 HG2 ARG C 57 28.112 17.659 12.467 1.00 24.68 H new ATOM 0 HG3 ARG C 57 26.831 17.810 13.654 1.00 24.68 H new ATOM 0 HD2 ARG C 57 29.701 18.262 14.480 1.00 24.68 H new ATOM 0 HD3 ARG C 57 28.829 19.528 13.639 1.00 24.68 H new ATOM 0 HE ARG C 57 27.124 18.719 15.717 1.00 24.65 H new ATOM 0 HH11 ARG C 57 30.390 20.013 15.386 1.00 25.73 H new ATOM 0 HH12 ARG C 57 30.343 20.849 16.942 1.00 25.73 H new ATOM 0 HH21 ARG C 57 27.068 19.799 17.713 1.00 25.10 H new ATOM 0 HH22 ARG C 57 28.470 20.728 18.253 1.00 25.10 H new ATOM 1152 N LEU C 58 28.420 13.107 14.157 1.00 25.48 N ATOM 1153 CA LEU C 58 29.186 11.878 13.989 1.00 25.78 C ATOM 1154 C LEU C 58 28.502 10.952 12.989 1.00 23.90 C ATOM 1155 O LEU C 58 29.115 10.509 12.019 1.00 22.82 O ATOM 1156 CB LEU C 58 29.352 11.164 15.332 1.00 25.95 C ATOM 1157 CG LEU C 58 30.531 11.643 16.177 1.00 26.16 C ATOM 1158 CD1 LEU C 58 30.596 10.876 17.489 1.00 25.73 C ATOM 1159 CD2 LEU C 58 31.833 11.491 15.407 1.00 26.51 C ATOM 0 H LEU C 58 28.157 13.311 15.121 1.00 25.48 H new ATOM 0 HA LEU C 58 30.172 12.141 13.605 1.00 25.78 H new ATOM 0 HB2 LEU C 58 28.436 11.290 15.909 1.00 25.95 H new ATOM 0 HB3 LEU C 58 29.467 10.096 15.147 1.00 25.95 H new ATOM 0 HG LEU C 58 30.384 12.699 16.404 1.00 26.16 H new ATOM 0 HD11 LEU C 58 31.442 11.232 18.077 1.00 25.73 H new ATOM 0 HD12 LEU C 58 29.674 11.033 18.049 1.00 25.73 H new ATOM 0 HD13 LEU C 58 30.718 9.813 17.283 1.00 25.73 H new ATOM 0 HD21 LEU C 58 32.663 11.837 16.023 1.00 26.51 H new ATOM 0 HD22 LEU C 58 31.984 10.442 15.151 1.00 26.51 H new ATOM 0 HD23 LEU C 58 31.787 12.085 14.494 1.00 26.51 H new ATOM 1171 N ALA C 59 27.226 10.668 13.232 1.00 23.70 N ATOM 1172 CA ALA C 59 26.456 9.798 12.352 1.00 22.03 C ATOM 1173 C ALA C 59 26.598 10.233 10.898 1.00 21.95 C ATOM 1174 O ALA C 59 26.575 9.406 9.986 1.00 21.40 O ATOM 1175 CB ALA C 59 24.992 9.794 12.763 1.00 19.96 C ATOM 0 H ALA C 59 26.704 11.028 14.031 1.00 23.70 H new ATOM 0 HA ALA C 59 26.849 8.785 12.444 1.00 22.03 H new ATOM 0 HB1 ALA C 59 24.429 9.140 12.097 1.00 19.96 H new ATOM 0 HB2 ALA C 59 24.903 9.433 13.787 1.00 19.96 H new ATOM 0 HB3 ALA C 59 24.593 10.807 12.700 1.00 19.96 H new ATOM 1181 N ASP C 60 26.750 11.537 10.689 1.00 22.88 N ATOM 1182 CA ASP C 60 26.902 12.083 9.347 1.00 23.40 C ATOM 1183 C ASP C 60 28.341 11.936 8.866 1.00 23.41 C ATOM 1184 O ASP C 60 28.598 11.814 7.669 1.00 23.81 O ATOM 1185 CB ASP C 60 26.490 13.557 9.323 1.00 25.46 C ATOM 1186 CG ASP C 60 25.182 13.787 8.589 1.00 25.16 C ATOM 1187 OD1 ASP C 60 24.648 12.820 8.006 1.00 24.36 O ATOM 1188 OD2 ASP C 60 24.691 14.935 8.597 1.00 25.75 O ATOM 0 H ASP C 60 26.771 12.235 11.433 1.00 22.88 H new ATOM 0 HA ASP C 60 26.252 11.523 8.675 1.00 23.40 H new ATOM 0 HB2 ASP C 60 26.397 13.921 10.346 1.00 25.46 H new ATOM 0 HB3 ASP C 60 27.277 14.142 8.847 1.00 25.46 H new ATOM 1193 N GLU C 61 29.277 11.947 9.811 1.00 23.12 N ATOM 1194 CA GLU C 61 30.692 11.809 9.486 1.00 23.12 C ATOM 1195 C GLU C 61 31.036 10.356 9.194 1.00 21.25 C ATOM 1196 O GLU C 61 31.666 10.044 8.184 1.00 21.21 O ATOM 1197 CB GLU C 61 31.556 12.329 10.637 1.00 24.05 C ATOM 1198 CG GLU C 61 32.869 12.944 10.181 1.00 24.98 C ATOM 1199 CD GLU C 61 32.821 14.459 10.144 1.00 26.34 C ATOM 1200 OE1 GLU C 61 31.896 15.037 10.752 1.00 26.37 O ATOM 1201 OE2 GLU C 61 33.708 15.066 9.508 1.00 27.57 O ATOM 0 H GLU C 61 29.081 12.050 10.807 1.00 23.12 H new ATOM 0 HA GLU C 61 30.896 12.402 8.594 1.00 23.12 H new ATOM 0 HB2 GLU C 61 30.991 13.074 11.197 1.00 24.05 H new ATOM 0 HB3 GLU C 61 31.767 11.508 11.322 1.00 24.05 H new ATOM 0 HG2 GLU C 61 33.667 12.626 10.851 1.00 24.98 H new ATOM 0 HG3 GLU C 61 33.117 12.568 9.189 1.00 24.98 H new ATOM 1208 N GLN C 62 30.608 9.470 10.085 1.00 20.07 N ATOM 1209 CA GLN C 62 30.859 8.044 9.927 1.00 18.53 C ATOM 1210 C GLN C 62 30.171 7.517 8.674 1.00 16.98 C ATOM 1211 O GLN C 62 30.727 6.695 7.945 1.00 17.05 O ATOM 1212 CB GLN C 62 30.369 7.278 11.157 1.00 17.04 C ATOM 1213 CG GLN C 62 30.888 7.840 12.471 1.00 18.06 C ATOM 1214 CD GLN C 62 32.383 7.644 12.639 1.00 18.37 C ATOM 1215 OE1 GLN C 62 33.002 6.860 11.921 1.00 17.43 O ATOM 1216 NE2 GLN C 62 32.970 8.357 13.593 1.00 19.91 N ATOM 0 H GLN C 62 30.085 9.715 10.926 1.00 20.07 H new ATOM 0 HA GLN C 62 31.934 7.893 9.824 1.00 18.53 H new ATOM 0 HB2 GLN C 62 29.279 7.290 11.172 1.00 17.04 H new ATOM 0 HB3 GLN C 62 30.675 6.235 11.071 1.00 17.04 H new ATOM 0 HG2 GLN C 62 30.657 8.904 12.524 1.00 18.06 H new ATOM 0 HG3 GLN C 62 30.367 7.359 13.299 1.00 18.06 H new ATOM 0 HE21 GLN C 62 32.418 8.996 14.165 1.00 19.91 H new ATOM 0 HE22 GLN C 62 33.973 8.266 13.754 1.00 19.91 H new ATOM 1225 N SER C 63 28.959 8.004 8.425 1.00 15.95 N ATOM 1226 CA SER C 63 28.196 7.591 7.254 1.00 14.46 C ATOM 1227 C SER C 63 28.881 8.070 5.979 1.00 13.18 C ATOM 1228 O SER C 63 28.884 7.374 4.963 1.00 12.09 O ATOM 1229 CB SER C 63 26.771 8.141 7.323 1.00 14.05 C ATOM 1230 OG SER C 63 26.775 9.549 7.480 1.00 13.64 O ATOM 0 H SER C 63 28.485 8.685 9.019 1.00 15.95 H new ATOM 0 HA SER C 63 28.150 6.502 7.240 1.00 14.46 H new ATOM 0 HB2 SER C 63 26.231 7.875 6.415 1.00 14.05 H new ATOM 0 HB3 SER C 63 26.240 7.681 8.156 1.00 14.05 H new ATOM 0 HG SER C 63 27.021 9.775 8.401 1.00 13.64 H new ATOM 1236 N GLU C 64 29.465 9.263 6.042 1.00 13.43 N ATOM 1237 CA GLU C 64 30.160 9.833 4.895 1.00 12.53 C ATOM 1238 C GLU C 64 31.259 8.892 4.416 1.00 12.32 C ATOM 1239 O GLU C 64 31.411 8.657 3.218 1.00 11.97 O ATOM 1240 CB GLU C 64 30.758 11.196 5.255 1.00 13.32 C ATOM 1241 CG GLU C 64 30.390 12.299 4.276 1.00 14.54 C ATOM 1242 CD GLU C 64 31.327 13.489 4.358 1.00 16.72 C ATOM 1243 OE1 GLU C 64 31.777 13.814 5.478 1.00 16.74 O ATOM 1244 OE2 GLU C 64 31.609 14.097 3.304 1.00 18.46 O ATOM 0 H GLU C 64 29.470 9.852 6.875 1.00 13.43 H new ATOM 0 HA GLU C 64 29.438 9.968 4.090 1.00 12.53 H new ATOM 0 HB2 GLU C 64 30.421 11.479 6.252 1.00 13.32 H new ATOM 0 HB3 GLU C 64 31.844 11.107 5.298 1.00 13.32 H new ATOM 0 HG2 GLU C 64 30.404 11.899 3.262 1.00 14.54 H new ATOM 0 HG3 GLU C 64 29.370 12.630 4.474 1.00 14.54 H new ATOM 1251 N LEU C 65 32.017 8.349 5.363 1.00 12.94 N ATOM 1252 CA LEU C 65 33.095 7.425 5.039 1.00 12.77 C ATOM 1253 C LEU C 65 32.547 6.213 4.295 1.00 11.89 C ATOM 1254 O LEU C 65 33.149 5.736 3.334 1.00 13.18 O ATOM 1255 CB LEU C 65 33.818 6.976 6.310 1.00 12.30 C ATOM 1256 CG LEU C 65 34.636 8.063 7.009 1.00 13.50 C ATOM 1257 CD1 LEU C 65 34.306 8.107 8.493 1.00 14.45 C ATOM 1258 CD2 LEU C 65 36.123 7.826 6.799 1.00 15.77 C ATOM 0 H LEU C 65 31.904 8.533 6.360 1.00 12.94 H new ATOM 0 HA LEU C 65 33.808 7.941 4.396 1.00 12.77 H new ATOM 0 HB2 LEU C 65 33.079 6.590 7.013 1.00 12.30 H new ATOM 0 HB3 LEU C 65 34.482 6.148 6.059 1.00 12.30 H new ATOM 0 HG LEU C 65 34.376 9.027 6.571 1.00 13.50 H new ATOM 0 HD11 LEU C 65 34.897 8.886 8.974 1.00 14.45 H new ATOM 0 HD12 LEU C 65 33.246 8.323 8.624 1.00 14.45 H new ATOM 0 HD13 LEU C 65 34.538 7.143 8.946 1.00 14.45 H new ATOM 0 HD21 LEU C 65 36.691 8.608 7.303 1.00 15.77 H new ATOM 0 HD22 LEU C 65 36.398 6.855 7.211 1.00 15.77 H new ATOM 0 HD23 LEU C 65 36.347 7.844 5.732 1.00 15.77 H new ATOM 1270 N VAL C 66 31.395 5.724 4.745 1.00 9.81 N ATOM 1271 CA VAL C 66 30.758 4.574 4.120 1.00 9.03 C ATOM 1272 C VAL C 66 30.224 4.937 2.740 1.00 9.05 C ATOM 1273 O VAL C 66 30.482 4.238 1.760 1.00 10.05 O ATOM 1274 CB VAL C 66 29.603 4.031 4.982 1.00 9.08 C ATOM 1275 CG1 VAL C 66 28.977 2.810 4.327 1.00 8.84 C ATOM 1276 CG2 VAL C 66 30.092 3.701 6.385 1.00 9.30 C ATOM 0 H VAL C 66 30.885 6.108 5.541 1.00 9.81 H new ATOM 0 HA VAL C 66 31.518 3.799 4.024 1.00 9.03 H new ATOM 0 HB VAL C 66 28.839 4.804 5.062 1.00 9.08 H new ATOM 0 HG11 VAL C 66 28.163 2.440 4.950 1.00 8.84 H new ATOM 0 HG12 VAL C 66 28.588 3.083 3.346 1.00 8.84 H new ATOM 0 HG13 VAL C 66 29.731 2.031 4.215 1.00 8.84 H new ATOM 0 HG21 VAL C 66 29.262 3.319 6.979 1.00 9.30 H new ATOM 0 HG22 VAL C 66 30.876 2.946 6.329 1.00 9.30 H new ATOM 0 HG23 VAL C 66 30.489 4.602 6.853 1.00 9.30 H new ATOM 1286 N LYS C 67 29.485 6.041 2.668 1.00 8.50 N ATOM 1287 CA LYS C 67 28.924 6.501 1.404 1.00 9.39 C ATOM 1288 C LYS C 67 30.039 6.812 0.413 1.00 10.24 C ATOM 1289 O LYS C 67 29.944 6.482 -0.769 1.00 11.04 O ATOM 1290 CB LYS C 67 28.056 7.743 1.621 1.00 11.59 C ATOM 1291 CG LYS C 67 27.522 8.345 0.331 1.00 12.77 C ATOM 1292 CD LYS C 67 26.860 9.693 0.574 1.00 14.98 C ATOM 1293 CE LYS C 67 27.345 10.740 -0.417 1.00 17.66 C ATOM 1294 NZ LYS C 67 26.352 11.835 -0.601 1.00 18.97 N ATOM 0 H LYS C 67 29.262 6.632 3.469 1.00 8.50 H new ATOM 0 HA LYS C 67 28.300 5.706 0.996 1.00 9.39 H new ATOM 0 HB2 LYS C 67 27.216 7.481 2.265 1.00 11.59 H new ATOM 0 HB3 LYS C 67 28.640 8.497 2.149 1.00 11.59 H new ATOM 0 HG2 LYS C 67 28.339 8.463 -0.381 1.00 12.77 H new ATOM 0 HG3 LYS C 67 26.802 7.662 -0.120 1.00 12.77 H new ATOM 0 HD2 LYS C 67 25.778 9.588 0.493 1.00 14.98 H new ATOM 0 HD3 LYS C 67 27.073 10.026 1.590 1.00 14.98 H new ATOM 0 HE2 LYS C 67 28.288 11.160 -0.068 1.00 17.66 H new ATOM 0 HE3 LYS C 67 27.544 10.265 -1.378 1.00 17.66 H new ATOM 0 HZ1 LYS C 67 26.721 12.527 -1.284 1.00 18.97 H new ATOM 0 HZ2 LYS C 67 25.460 11.438 -0.959 1.00 18.97 H new ATOM 0 HZ3 LYS C 67 26.181 12.305 0.311 1.00 18.97 H new ATOM 1308 N LYS C 68 31.100 7.441 0.907 1.00 10.23 N ATOM 1309 CA LYS C 68 32.242 7.790 0.072 1.00 11.18 C ATOM 1310 C LYS C 68 32.929 6.530 -0.441 1.00 9.35 C ATOM 1311 O LYS C 68 33.400 6.484 -1.578 1.00 9.60 O ATOM 1312 CB LYS C 68 33.236 8.645 0.860 1.00 13.56 C ATOM 1313 CG LYS C 68 34.471 9.033 0.064 1.00 14.82 C ATOM 1314 CD LYS C 68 35.249 10.144 0.751 1.00 16.51 C ATOM 1315 CE LYS C 68 36.201 9.594 1.800 1.00 18.32 C ATOM 1316 NZ LYS C 68 37.193 10.614 2.242 1.00 20.72 N ATOM 0 H LYS C 68 31.192 7.720 1.884 1.00 10.23 H new ATOM 0 HA LYS C 68 31.882 8.366 -0.781 1.00 11.18 H new ATOM 0 HB2 LYS C 68 32.734 9.551 1.200 1.00 13.56 H new ATOM 0 HB3 LYS C 68 33.545 8.099 1.751 1.00 13.56 H new ATOM 0 HG2 LYS C 68 35.113 8.161 -0.062 1.00 14.82 H new ATOM 0 HG3 LYS C 68 34.175 9.357 -0.934 1.00 14.82 H new ATOM 0 HD2 LYS C 68 35.812 10.708 0.008 1.00 16.51 H new ATOM 0 HD3 LYS C 68 34.553 10.840 1.219 1.00 16.51 H new ATOM 0 HE2 LYS C 68 35.630 9.246 2.661 1.00 18.32 H new ATOM 0 HE3 LYS C 68 36.726 8.729 1.395 1.00 18.32 H new ATOM 0 HZ1 LYS C 68 37.823 10.198 2.957 1.00 20.72 H new ATOM 0 HZ2 LYS C 68 37.756 10.928 1.426 1.00 20.72 H new ATOM 0 HZ3 LYS C 68 36.694 11.429 2.652 1.00 20.72 H new ATOM 1330 N MET C 69 32.977 5.506 0.405 1.00 7.84 N ATOM 1331 CA MET C 69 33.597 4.240 0.042 1.00 6.42 C ATOM 1332 C MET C 69 32.817 3.567 -1.082 1.00 4.07 C ATOM 1333 O MET C 69 33.402 2.984 -1.996 1.00 4.22 O ATOM 1334 CB MET C 69 33.666 3.316 1.259 1.00 6.29 C ATOM 1335 CG MET C 69 34.217 1.934 0.944 1.00 5.63 C ATOM 1336 SD MET C 69 34.030 0.782 2.318 1.00 6.63 S ATOM 1337 CE MET C 69 32.311 1.044 2.751 1.00 7.03 C ATOM 0 H MET C 69 32.592 5.530 1.349 1.00 7.84 H new ATOM 0 HA MET C 69 34.610 4.440 -0.307 1.00 6.42 H new ATOM 0 HB2 MET C 69 34.289 3.781 2.023 1.00 6.29 H new ATOM 0 HB3 MET C 69 32.667 3.212 1.683 1.00 6.29 H new ATOM 0 HG2 MET C 69 33.706 1.534 0.068 1.00 5.63 H new ATOM 0 HG3 MET C 69 35.273 2.018 0.687 1.00 5.63 H new ATOM 0 HE1 MET C 69 31.939 0.181 3.303 1.00 7.03 H new ATOM 0 HE2 MET C 69 32.224 1.936 3.371 1.00 7.03 H new ATOM 0 HE3 MET C 69 31.723 1.174 1.843 1.00 7.03 H new ATOM 1347 N VAL C 70 31.492 3.656 -1.009 1.00 2.93 N ATOM 1348 CA VAL C 70 30.625 3.063 -2.017 1.00 1.96 C ATOM 1349 C VAL C 70 30.763 3.795 -3.348 1.00 3.86 C ATOM 1350 O VAL C 70 30.872 3.168 -4.402 1.00 4.41 O ATOM 1351 CB VAL C 70 29.148 3.078 -1.560 1.00 3.27 C ATOM 1352 CG1 VAL C 70 28.207 2.660 -2.685 1.00 3.65 C ATOM 1353 CG2 VAL C 70 28.967 2.172 -0.354 1.00 3.74 C ATOM 0 H VAL C 70 30.996 4.136 -0.258 1.00 2.93 H new ATOM 0 HA VAL C 70 30.936 2.027 -2.150 1.00 1.96 H new ATOM 0 HB VAL C 70 28.893 4.101 -1.282 1.00 3.27 H new ATOM 0 HG11 VAL C 70 27.178 2.683 -2.326 1.00 3.65 H new ATOM 0 HG12 VAL C 70 28.314 3.348 -3.523 1.00 3.65 H new ATOM 0 HG13 VAL C 70 28.455 1.650 -3.011 1.00 3.65 H new ATOM 0 HG21 VAL C 70 27.924 2.189 -0.039 1.00 3.74 H new ATOM 0 HG22 VAL C 70 29.250 1.153 -0.619 1.00 3.74 H new ATOM 0 HG23 VAL C 70 29.598 2.523 0.463 1.00 3.74 H new ATOM 1363 N PHE C 71 30.761 5.125 -3.296 1.00 5.71 N ATOM 1364 CA PHE C 71 30.893 5.927 -4.504 1.00 8.03 C ATOM 1365 C PHE C 71 32.102 5.476 -5.316 1.00 8.04 C ATOM 1366 O PHE C 71 31.964 5.011 -6.443 1.00 9.43 O ATOM 1367 CB PHE C 71 31.018 7.413 -4.158 1.00 9.91 C ATOM 1368 CG PHE C 71 31.313 8.273 -5.353 1.00 10.82 C ATOM 1369 CD1 PHE C 71 30.329 8.506 -6.324 1.00 12.56 C ATOM 1370 CD2 PHE C 71 32.580 8.847 -5.524 1.00 10.29 C ATOM 1371 CE1 PHE C 71 30.602 9.297 -7.443 1.00 13.60 C ATOM 1372 CE2 PHE C 71 32.860 9.641 -6.640 1.00 11.58 C ATOM 1373 CZ PHE C 71 31.870 9.865 -7.601 1.00 13.15 C ATOM 0 H PHE C 71 30.670 5.665 -2.435 1.00 5.71 H new ATOM 0 HA PHE C 71 29.994 5.785 -5.104 1.00 8.03 H new ATOM 0 HB2 PHE C 71 30.091 7.751 -3.694 1.00 9.91 H new ATOM 0 HB3 PHE C 71 31.810 7.543 -3.420 1.00 9.91 H new ATOM 0 HD1 PHE C 71 29.348 8.069 -6.206 1.00 12.56 H new ATOM 0 HD2 PHE C 71 33.349 8.674 -4.785 1.00 10.29 H new ATOM 0 HE1 PHE C 71 29.836 9.469 -8.184 1.00 13.60 H new ATOM 0 HE2 PHE C 71 33.839 10.080 -6.759 1.00 11.58 H new ATOM 0 HZ PHE C 71 32.084 10.476 -8.465 1.00 13.15 H new ATOM 1383 N ASP C 72 33.287 5.609 -4.728 1.00 6.89 N ATOM 1384 CA ASP C 72 34.519 5.205 -5.397 1.00 6.96 C ATOM 1385 C ASP C 72 34.395 3.785 -5.935 1.00 6.79 C ATOM 1386 O ASP C 72 34.869 3.479 -7.030 1.00 7.03 O ATOM 1387 CB ASP C 72 35.703 5.297 -4.432 1.00 5.54 C ATOM 1388 CG ASP C 72 37.022 5.502 -5.152 1.00 5.97 C ATOM 1389 OD1 ASP C 72 37.069 5.277 -6.380 1.00 6.97 O ATOM 1390 OD2 ASP C 72 38.008 5.885 -4.488 1.00 5.78 O ATOM 0 H ASP C 72 33.420 5.992 -3.792 1.00 6.89 H new ATOM 0 HA ASP C 72 34.692 5.882 -6.234 1.00 6.96 H new ATOM 0 HB2 ASP C 72 35.539 6.121 -3.738 1.00 5.54 H new ATOM 0 HB3 ASP C 72 35.755 4.385 -3.837 1.00 5.54 H new ATOM 1395 N THR C 73 33.747 2.923 -5.158 1.00 7.48 N ATOM 1396 CA THR C 73 33.549 1.536 -5.556 1.00 8.61 C ATOM 1397 C THR C 73 32.587 1.456 -6.737 1.00 11.57 C ATOM 1398 O THR C 73 32.999 1.207 -7.870 1.00 13.18 O ATOM 1399 CB THR C 73 33.011 0.716 -4.376 1.00 7.73 C ATOM 1400 OG1 THR C 73 34.013 0.544 -3.390 1.00 7.76 O ATOM 1401 CG2 THR C 73 32.512 -0.662 -4.767 1.00 8.00 C ATOM 0 H THR C 73 33.350 3.162 -4.249 1.00 7.48 H new ATOM 0 HA THR C 73 34.510 1.121 -5.861 1.00 8.61 H new ATOM 0 HB THR C 73 32.167 1.290 -3.993 1.00 7.73 H new ATOM 0 HG1 THR C 73 33.825 -0.266 -2.871 1.00 7.76 H new ATOM 0 HG21 THR C 73 32.147 -1.182 -3.881 1.00 8.00 H new ATOM 0 HG22 THR C 73 31.702 -0.564 -5.489 1.00 8.00 H new ATOM 0 HG23 THR C 73 33.328 -1.232 -5.212 1.00 8.00 H new ATOM 1409 N LEU C 74 31.303 1.672 -6.464 1.00 12.51 N ATOM 1410 CA LEU C 74 30.283 1.626 -7.507 1.00 15.38 C ATOM 1411 C LEU C 74 30.699 2.457 -8.716 1.00 16.59 C ATOM 1412 O LEU C 74 30.407 2.101 -9.858 1.00 18.75 O ATOM 1413 CB LEU C 74 28.945 2.124 -6.959 1.00 16.51 C ATOM 1414 CG LEU C 74 28.331 1.245 -5.867 1.00 16.18 C ATOM 1415 CD1 LEU C 74 26.877 1.623 -5.638 1.00 18.50 C ATOM 1416 CD2 LEU C 74 28.453 -0.227 -6.237 1.00 16.06 C ATOM 0 H LEU C 74 30.945 1.880 -5.532 1.00 12.51 H new ATOM 0 HA LEU C 74 30.172 0.590 -7.829 1.00 15.38 H new ATOM 0 HB2 LEU C 74 29.083 3.130 -6.561 1.00 16.51 H new ATOM 0 HB3 LEU C 74 28.237 2.202 -7.784 1.00 16.51 H new ATOM 0 HG LEU C 74 28.878 1.410 -4.939 1.00 16.18 H new ATOM 0 HD11 LEU C 74 26.455 0.989 -4.859 1.00 18.50 H new ATOM 0 HD12 LEU C 74 26.817 2.667 -5.329 1.00 18.50 H new ATOM 0 HD13 LEU C 74 26.315 1.485 -6.562 1.00 18.50 H new ATOM 0 HD21 LEU C 74 28.011 -0.838 -5.450 1.00 16.06 H new ATOM 0 HD22 LEU C 74 27.930 -0.411 -7.175 1.00 16.06 H new ATOM 0 HD23 LEU C 74 29.505 -0.487 -6.351 1.00 16.06 H new ATOM 1428 N LYS C 75 31.391 3.559 -8.455 1.00 15.48 N ATOM 1429 CA LYS C 75 31.862 4.435 -9.521 1.00 16.98 C ATOM 1430 C LYS C 75 32.676 3.641 -10.531 1.00 16.31 C ATOM 1431 O LYS C 75 32.251 3.434 -11.668 1.00 17.74 O ATOM 1432 CB LYS C 75 32.716 5.563 -8.939 1.00 16.85 C ATOM 1433 CG LYS C 75 33.395 6.423 -9.991 1.00 16.64 C ATOM 1434 CD LYS C 75 33.772 7.785 -9.434 1.00 17.53 C ATOM 1435 CE LYS C 75 35.268 8.037 -9.540 1.00 19.11 C ATOM 1436 NZ LYS C 75 35.566 9.359 -10.158 1.00 21.25 N ATOM 0 H LYS C 75 31.639 3.868 -7.515 1.00 15.48 H new ATOM 0 HA LYS C 75 30.997 4.868 -10.023 1.00 16.98 H new ATOM 0 HB2 LYS C 75 32.087 6.198 -8.315 1.00 16.85 H new ATOM 0 HB3 LYS C 75 33.477 5.132 -8.289 1.00 16.85 H new ATOM 0 HG2 LYS C 75 34.289 5.917 -10.355 1.00 16.64 H new ATOM 0 HG3 LYS C 75 32.730 6.549 -10.845 1.00 16.64 H new ATOM 0 HD2 LYS C 75 33.232 8.562 -9.975 1.00 17.53 H new ATOM 0 HD3 LYS C 75 33.464 7.850 -8.390 1.00 17.53 H new ATOM 0 HE2 LYS C 75 35.715 7.991 -8.547 1.00 19.11 H new ATOM 0 HE3 LYS C 75 35.728 7.247 -10.133 1.00 19.11 H new ATOM 0 HZ1 LYS C 75 36.596 9.493 -10.212 1.00 21.25 H new ATOM 0 HZ2 LYS C 75 35.161 9.394 -11.115 1.00 21.25 H new ATOM 0 HZ3 LYS C 75 35.149 10.115 -9.578 1.00 21.25 H new ATOM 1450 N ASP C 76 33.848 3.193 -10.100 1.00 14.14 N ATOM 1451 CA ASP C 76 34.732 2.412 -10.954 1.00 13.29 C ATOM 1452 C ASP C 76 34.081 1.086 -11.341 1.00 14.00 C ATOM 1453 O ASP C 76 34.354 0.540 -12.410 1.00 14.52 O ATOM 1454 CB ASP C 76 36.061 2.151 -10.242 1.00 10.52 C ATOM 1455 CG ASP C 76 37.213 1.983 -11.213 1.00 10.43 C ATOM 1456 OD1 ASP C 76 37.272 2.744 -12.202 1.00 10.62 O ATOM 1457 OD2 ASP C 76 38.055 1.089 -10.985 1.00 10.58 O ATOM 0 H ASP C 76 34.209 3.358 -9.160 1.00 14.14 H new ATOM 0 HA ASP C 76 34.920 2.984 -11.863 1.00 13.29 H new ATOM 0 HB2 ASP C 76 36.277 2.978 -9.566 1.00 10.52 H new ATOM 0 HB3 ASP C 76 35.972 1.254 -9.629 1.00 10.52 H new ATOM 1462 N LEU C 77 33.221 0.574 -10.465 1.00 14.37 N ATOM 1463 CA LEU C 77 32.535 -0.685 -10.717 1.00 15.83 C ATOM 1464 C LEU C 77 31.578 -0.548 -11.901 1.00 18.03 C ATOM 1465 O LEU C 77 31.773 -1.172 -12.945 1.00 18.96 O ATOM 1466 CB LEU C 77 31.792 -1.135 -9.448 1.00 16.66 C ATOM 1467 CG LEU C 77 30.546 -2.004 -9.659 1.00 18.51 C ATOM 1468 CD1 LEU C 77 30.817 -3.091 -10.688 1.00 18.15 C ATOM 1469 CD2 LEU C 77 30.097 -2.616 -8.342 1.00 19.16 C ATOM 0 H LEU C 77 32.984 1.013 -9.575 1.00 14.37 H new ATOM 0 HA LEU C 77 33.270 -1.448 -10.975 1.00 15.83 H new ATOM 0 HB2 LEU C 77 32.491 -1.687 -8.820 1.00 16.66 H new ATOM 0 HB3 LEU C 77 31.498 -0.246 -8.891 1.00 16.66 H new ATOM 0 HG LEU C 77 29.744 -1.369 -10.037 1.00 18.51 H new ATOM 0 HD11 LEU C 77 29.920 -3.696 -10.823 1.00 18.15 H new ATOM 0 HD12 LEU C 77 31.091 -2.632 -11.638 1.00 18.15 H new ATOM 0 HD13 LEU C 77 31.634 -3.725 -10.342 1.00 18.15 H new ATOM 0 HD21 LEU C 77 29.212 -3.230 -8.509 1.00 19.16 H new ATOM 0 HD22 LEU C 77 30.897 -3.236 -7.937 1.00 19.16 H new ATOM 0 HD23 LEU C 77 29.860 -1.822 -7.634 1.00 19.16 H new ATOM 1481 N TYR C 78 30.545 0.273 -11.734 1.00 19.06 N ATOM 1482 CA TYR C 78 29.566 0.487 -12.793 1.00 21.34 C ATOM 1483 C TYR C 78 30.253 0.910 -14.087 1.00 23.07 C ATOM 1484 O TYR C 78 29.741 0.669 -15.181 1.00 25.07 O ATOM 1485 CB TYR C 78 28.546 1.548 -12.372 1.00 21.65 C ATOM 1486 CG TYR C 78 27.691 1.146 -11.189 1.00 21.79 C ATOM 1487 CD1 TYR C 78 27.507 -0.207 -10.850 1.00 22.40 C ATOM 1488 CD2 TYR C 78 27.057 2.121 -10.400 1.00 21.54 C ATOM 1489 CE1 TYR C 78 26.716 -0.575 -9.758 1.00 22.70 C ATOM 1490 CE2 TYR C 78 26.263 1.760 -9.308 1.00 22.07 C ATOM 1491 CZ TYR C 78 26.097 0.412 -8.991 1.00 22.61 C ATOM 1492 OH TYR C 78 25.317 0.054 -7.916 1.00 23.26 O ATOM 0 H TYR C 78 30.365 0.799 -10.879 1.00 19.06 H new ATOM 0 HA TYR C 78 29.045 -0.454 -12.968 1.00 21.34 H new ATOM 0 HB2 TYR C 78 29.075 2.469 -12.128 1.00 21.65 H new ATOM 0 HB3 TYR C 78 27.896 1.768 -13.219 1.00 21.65 H new ATOM 0 HD1 TYR C 78 27.984 -0.973 -11.443 1.00 22.40 H new ATOM 0 HD2 TYR C 78 27.185 3.166 -10.641 1.00 21.54 H new ATOM 0 HE1 TYR C 78 26.585 -1.618 -9.509 1.00 22.70 H new ATOM 0 HE2 TYR C 78 25.780 2.521 -8.713 1.00 22.07 H new ATOM 0 HH TYR C 78 24.508 -0.399 -8.235 1.00 23.26 H new ATOM 1502 N LYS C 79 31.415 1.542 -13.956 1.00 22.35 N ATOM 1503 CA LYS C 79 32.170 1.998 -15.116 1.00 23.90 C ATOM 1504 C LYS C 79 32.697 0.815 -15.923 1.00 24.97 C ATOM 1505 O LYS C 79 32.834 0.894 -17.143 1.00 26.41 O ATOM 1506 CB LYS C 79 33.331 2.892 -14.676 1.00 23.30 C ATOM 1507 CG LYS C 79 32.976 4.370 -14.637 1.00 23.38 C ATOM 1508 CD LYS C 79 34.187 5.242 -14.924 1.00 24.10 C ATOM 1509 CE LYS C 79 34.104 6.570 -14.187 1.00 24.40 C ATOM 1510 NZ LYS C 79 35.000 7.596 -14.790 1.00 25.80 N ATOM 0 H LYS C 79 31.853 1.750 -13.059 1.00 22.35 H new ATOM 0 HA LYS C 79 31.499 2.575 -15.752 1.00 23.90 H new ATOM 0 HB2 LYS C 79 33.665 2.580 -13.686 1.00 23.30 H new ATOM 0 HB3 LYS C 79 34.170 2.746 -15.356 1.00 23.30 H new ATOM 0 HG2 LYS C 79 32.196 4.577 -15.369 1.00 23.38 H new ATOM 0 HG3 LYS C 79 32.569 4.622 -13.658 1.00 23.38 H new ATOM 0 HD2 LYS C 79 35.094 4.716 -14.627 1.00 24.10 H new ATOM 0 HD3 LYS C 79 34.260 5.424 -15.996 1.00 24.10 H new ATOM 0 HE2 LYS C 79 33.076 6.931 -14.204 1.00 24.40 H new ATOM 0 HE3 LYS C 79 34.373 6.422 -13.141 1.00 24.40 H new ATOM 0 HZ1 LYS C 79 34.915 8.486 -14.259 1.00 25.80 H new ATOM 0 HZ2 LYS C 79 35.984 7.263 -14.751 1.00 25.80 H new ATOM 0 HZ3 LYS C 79 34.727 7.756 -15.781 1.00 25.80 H new ATOM 1524 N LYS C 80 32.991 -0.283 -15.232 1.00 24.39 N ATOM 1525 CA LYS C 80 33.500 -1.482 -15.883 1.00 25.28 C ATOM 1526 C LYS C 80 32.387 -2.213 -16.629 1.00 27.43 C ATOM 1527 O LYS C 80 32.638 -2.909 -17.612 1.00 28.82 O ATOM 1528 CB LYS C 80 34.136 -2.417 -14.852 1.00 23.34 C ATOM 1529 CG LYS C 80 35.633 -2.208 -14.681 1.00 20.66 C ATOM 1530 CD LYS C 80 36.430 -3.343 -15.304 1.00 19.75 C ATOM 1531 CE LYS C 80 36.696 -4.453 -14.300 1.00 17.81 C ATOM 1532 NZ LYS C 80 37.491 -5.561 -14.897 1.00 18.16 N ATOM 0 H LYS C 80 32.885 -0.365 -14.221 1.00 24.39 H new ATOM 0 HA LYS C 80 34.258 -1.177 -16.605 1.00 25.28 H new ATOM 0 HB2 LYS C 80 33.645 -2.271 -13.890 1.00 23.34 H new ATOM 0 HB3 LYS C 80 33.954 -3.450 -15.149 1.00 23.34 H new ATOM 0 HG2 LYS C 80 35.924 -1.263 -15.140 1.00 20.66 H new ATOM 0 HG3 LYS C 80 35.872 -2.134 -13.620 1.00 20.66 H new ATOM 0 HD2 LYS C 80 35.885 -3.746 -16.158 1.00 19.75 H new ATOM 0 HD3 LYS C 80 37.377 -2.959 -15.683 1.00 19.75 H new ATOM 0 HE2 LYS C 80 37.229 -4.046 -13.441 1.00 17.81 H new ATOM 0 HE3 LYS C 80 35.748 -4.844 -13.931 1.00 17.81 H new ATOM 0 HZ1 LYS C 80 37.651 -6.298 -14.181 1.00 18.16 H new ATOM 0 HZ2 LYS C 80 36.971 -5.967 -15.701 1.00 18.16 H new ATOM 0 HZ3 LYS C 80 38.406 -5.193 -15.226 1.00 18.16 H new ATOM 1546 N THR C 81 31.156 -2.052 -16.150 1.00 27.84 N ATOM 1547 CA THR C 81 30.003 -2.698 -16.769 1.00 30.06 C ATOM 1548 C THR C 81 29.706 -2.099 -18.139 1.00 32.52 C ATOM 1549 O THR C 81 29.759 -2.792 -19.156 1.00 33.46 O ATOM 1550 CB THR C 81 28.775 -2.568 -15.866 1.00 30.59 C ATOM 1551 OG1 THR C 81 29.046 -1.712 -14.771 1.00 29.22 O ATOM 1552 CG2 THR C 81 28.300 -3.892 -15.309 1.00 30.10 C ATOM 0 H THR C 81 30.932 -1.480 -15.336 1.00 27.84 H new ATOM 0 HA THR C 81 30.241 -3.753 -16.902 1.00 30.06 H new ATOM 0 HB THR C 81 27.990 -2.158 -16.502 1.00 30.59 H new ATOM 0 HG1 THR C 81 28.926 -0.779 -15.047 1.00 29.22 H new ATOM 0 HG21 THR C 81 27.427 -3.729 -14.677 1.00 30.10 H new ATOM 0 HG22 THR C 81 28.035 -4.558 -16.130 1.00 30.10 H new ATOM 0 HG23 THR C 81 29.096 -4.344 -14.718 1.00 30.10 H new ATOM 1616 N ASP D 54 26.883 7.191 -17.465 1.00 35.25 N ATOM 1617 CA ASP D 54 25.772 6.971 -16.545 1.00 32.48 C ATOM 1618 C ASP D 54 26.220 6.168 -15.327 1.00 31.86 C ATOM 1619 O ASP D 54 25.583 6.216 -14.275 1.00 31.02 O ATOM 1620 CB ASP D 54 24.631 6.241 -17.258 1.00 31.86 C ATOM 1621 CG ASP D 54 23.752 7.184 -18.058 1.00 30.23 C ATOM 1622 OD1 ASP D 54 23.975 8.410 -17.986 1.00 29.72 O ATOM 1623 OD2 ASP D 54 22.839 6.693 -18.757 1.00 29.63 O ATOM 0 HA ASP D 54 25.419 7.944 -16.204 1.00 32.48 H new ATOM 0 HB2 ASP D 54 25.047 5.484 -17.923 1.00 31.86 H new ATOM 0 HB3 ASP D 54 24.022 5.718 -16.521 1.00 31.86 H new ATOM 1628 N ALA D 55 27.317 5.431 -15.474 1.00 32.32 N ATOM 1629 CA ALA D 55 27.843 4.622 -14.382 1.00 31.83 C ATOM 1630 C ALA D 55 28.093 5.474 -13.143 1.00 29.81 C ATOM 1631 O ALA D 55 27.708 5.103 -12.034 1.00 28.30 O ATOM 1632 CB ALA D 55 29.123 3.922 -14.812 1.00 33.91 C ATOM 0 H ALA D 55 27.857 5.378 -16.337 1.00 32.32 H new ATOM 0 HA ALA D 55 27.099 3.867 -14.129 1.00 31.83 H new ATOM 0 HB1 ALA D 55 29.504 3.321 -13.986 1.00 33.91 H new ATOM 0 HB2 ALA D 55 28.915 3.276 -15.665 1.00 33.91 H new ATOM 0 HB3 ALA D 55 29.868 4.666 -15.094 1.00 33.91 H new ATOM 1638 N GLU D 56 28.740 6.618 -13.340 1.00 29.92 N ATOM 1639 CA GLU D 56 29.038 7.524 -12.239 1.00 28.26 C ATOM 1640 C GLU D 56 27.752 8.029 -11.593 1.00 26.01 C ATOM 1641 O GLU D 56 27.570 7.922 -10.380 1.00 25.77 O ATOM 1642 CB GLU D 56 29.874 8.706 -12.731 1.00 29.27 C ATOM 1643 CG GLU D 56 30.339 9.629 -11.616 1.00 30.03 C ATOM 1644 CD GLU D 56 30.210 11.094 -11.981 1.00 29.51 C ATOM 1645 OE1 GLU D 56 30.593 11.461 -13.112 1.00 30.35 O ATOM 1646 OE2 GLU D 56 29.725 11.876 -11.136 1.00 28.38 O ATOM 0 H GLU D 56 29.067 6.939 -14.251 1.00 29.92 H new ATOM 0 HA GLU D 56 29.610 6.973 -11.492 1.00 28.26 H new ATOM 0 HB2 GLU D 56 30.746 8.327 -13.264 1.00 29.27 H new ATOM 0 HB3 GLU D 56 29.288 9.282 -13.447 1.00 29.27 H new ATOM 0 HG2 GLU D 56 29.756 9.430 -10.717 1.00 30.03 H new ATOM 0 HG3 GLU D 56 31.379 9.408 -11.376 1.00 30.03 H new ATOM 1653 N ARG D 57 26.859 8.573 -12.414 1.00 24.49 N ATOM 1654 CA ARG D 57 25.585 9.088 -11.926 1.00 22.28 C ATOM 1655 C ARG D 57 24.852 8.030 -11.111 1.00 19.83 C ATOM 1656 O ARG D 57 24.195 8.340 -10.117 1.00 18.52 O ATOM 1657 CB ARG D 57 24.713 9.542 -13.098 1.00 22.09 C ATOM 1658 CG ARG D 57 24.498 11.045 -13.151 1.00 22.95 C ATOM 1659 CD ARG D 57 23.167 11.439 -12.534 1.00 21.58 C ATOM 1660 NE ARG D 57 22.060 10.657 -13.078 1.00 22.55 N ATOM 1661 CZ ARG D 57 20.888 10.514 -12.469 1.00 21.95 C ATOM 1662 NH1 ARG D 57 20.670 11.098 -11.299 1.00 20.35 N ATOM 1663 NH2 ARG D 57 19.932 9.786 -13.030 1.00 23.15 N ATOM 0 H ARG D 57 26.994 8.668 -13.420 1.00 24.49 H new ATOM 0 HA ARG D 57 25.787 9.943 -11.281 1.00 22.28 H new ATOM 0 HB2 ARG D 57 25.174 9.216 -14.030 1.00 22.09 H new ATOM 0 HB3 ARG D 57 23.744 9.047 -13.032 1.00 22.09 H new ATOM 0 HG2 ARG D 57 25.308 11.548 -12.623 1.00 22.95 H new ATOM 0 HG3 ARG D 57 24.534 11.383 -14.187 1.00 22.95 H new ATOM 0 HD2 ARG D 57 23.213 11.300 -11.454 1.00 21.58 H new ATOM 0 HD3 ARG D 57 22.984 12.499 -12.712 1.00 21.58 H new ATOM 0 HE ARG D 57 22.194 10.194 -13.977 1.00 22.55 H new ATOM 0 HH11 ARG D 57 21.403 11.659 -10.864 1.00 20.35 H new ATOM 0 HH12 ARG D 57 19.769 10.987 -10.833 1.00 20.35 H new ATOM 0 HH21 ARG D 57 20.096 9.335 -13.930 1.00 23.15 H new ATOM 0 HH22 ARG D 57 19.033 9.677 -12.561 1.00 23.15 H new ATOM 1677 N LEU D 58 24.971 6.778 -11.539 1.00 19.35 N ATOM 1678 CA LEU D 58 24.322 5.670 -10.850 1.00 17.08 C ATOM 1679 C LEU D 58 24.880 5.504 -9.444 1.00 16.41 C ATOM 1680 O LEU D 58 24.143 5.575 -8.461 1.00 15.64 O ATOM 1681 CB LEU D 58 24.508 4.374 -11.638 1.00 16.64 C ATOM 1682 CG LEU D 58 23.354 4.012 -12.572 1.00 16.79 C ATOM 1683 CD1 LEU D 58 23.824 3.042 -13.643 1.00 17.57 C ATOM 1684 CD2 LEU D 58 22.197 3.419 -11.783 1.00 15.28 C ATOM 0 H LEU D 58 25.511 6.506 -12.360 1.00 19.35 H new ATOM 0 HA LEU D 58 23.258 5.894 -10.776 1.00 17.08 H new ATOM 0 HB2 LEU D 58 25.421 4.454 -12.228 1.00 16.64 H new ATOM 0 HB3 LEU D 58 24.654 3.556 -10.933 1.00 16.64 H new ATOM 0 HG LEU D 58 23.005 4.922 -13.061 1.00 16.79 H new ATOM 0 HD11 LEU D 58 22.991 2.794 -14.300 1.00 17.57 H new ATOM 0 HD12 LEU D 58 24.621 3.502 -14.226 1.00 17.57 H new ATOM 0 HD13 LEU D 58 24.198 2.133 -13.172 1.00 17.57 H new ATOM 0 HD21 LEU D 58 21.384 3.167 -12.464 1.00 15.28 H new ATOM 0 HD22 LEU D 58 22.532 2.518 -11.268 1.00 15.28 H new ATOM 0 HD23 LEU D 58 21.845 4.146 -11.051 1.00 15.28 H new ATOM 1696 N ALA D 59 26.187 5.287 -9.359 1.00 16.83 N ATOM 1697 CA ALA D 59 26.854 5.110 -8.073 1.00 16.48 C ATOM 1698 C ALA D 59 26.429 6.190 -7.086 1.00 17.34 C ATOM 1699 O ALA D 59 26.298 5.936 -5.888 1.00 17.77 O ATOM 1700 CB ALA D 59 28.364 5.126 -8.255 1.00 16.97 C ATOM 0 H ALA D 59 26.808 5.229 -10.166 1.00 16.83 H new ATOM 0 HA ALA D 59 26.559 4.143 -7.667 1.00 16.48 H new ATOM 0 HB1 ALA D 59 28.848 4.993 -7.288 1.00 16.97 H new ATOM 0 HB2 ALA D 59 28.659 4.316 -8.923 1.00 16.97 H new ATOM 0 HB3 ALA D 59 28.669 6.080 -8.685 1.00 16.97 H new ATOM 1706 N ASP D 60 26.204 7.394 -7.601 1.00 17.88 N ATOM 1707 CA ASP D 60 25.784 8.513 -6.768 1.00 19.15 C ATOM 1708 C ASP D 60 24.455 8.203 -6.090 1.00 17.76 C ATOM 1709 O ASP D 60 24.300 8.400 -4.885 1.00 18.39 O ATOM 1710 CB ASP D 60 25.660 9.784 -7.610 1.00 20.74 C ATOM 1711 CG ASP D 60 25.669 11.042 -6.764 1.00 21.41 C ATOM 1712 OD1 ASP D 60 24.696 11.257 -6.011 1.00 20.38 O ATOM 1713 OD2 ASP D 60 26.648 11.812 -6.855 1.00 23.18 O ATOM 0 H ASP D 60 26.306 7.619 -8.591 1.00 17.88 H new ATOM 0 HA ASP D 60 26.539 8.673 -5.999 1.00 19.15 H new ATOM 0 HB2 ASP D 60 26.482 9.824 -8.325 1.00 20.74 H new ATOM 0 HB3 ASP D 60 24.737 9.745 -8.188 1.00 20.74 H new ATOM 1718 N GLU D 61 23.499 7.708 -6.872 1.00 16.09 N ATOM 1719 CA GLU D 61 22.186 7.360 -6.345 1.00 15.00 C ATOM 1720 C GLU D 61 22.311 6.267 -5.289 1.00 13.60 C ATOM 1721 O GLU D 61 21.596 6.270 -4.287 1.00 13.52 O ATOM 1722 CB GLU D 61 21.264 6.897 -7.475 1.00 14.08 C ATOM 1723 CG GLU D 61 21.054 7.946 -8.555 1.00 13.96 C ATOM 1724 CD GLU D 61 19.832 7.668 -9.407 1.00 13.56 C ATOM 1725 OE1 GLU D 61 19.905 6.772 -10.275 1.00 12.26 O ATOM 1726 OE2 GLU D 61 18.802 8.345 -9.208 1.00 14.83 O ATOM 0 H GLU D 61 23.611 7.540 -7.872 1.00 16.09 H new ATOM 0 HA GLU D 61 21.754 8.247 -5.882 1.00 15.00 H new ATOM 0 HB2 GLU D 61 21.682 5.998 -7.929 1.00 14.08 H new ATOM 0 HB3 GLU D 61 20.297 6.622 -7.054 1.00 14.08 H new ATOM 0 HG2 GLU D 61 20.952 8.926 -8.089 1.00 13.96 H new ATOM 0 HG3 GLU D 61 21.936 7.986 -9.194 1.00 13.96 H new ATOM 1733 N GLN D 62 23.234 5.338 -5.518 1.00 12.79 N ATOM 1734 CA GLN D 62 23.467 4.244 -4.584 1.00 11.95 C ATOM 1735 C GLN D 62 24.064 4.774 -3.285 1.00 10.87 C ATOM 1736 O GLN D 62 23.587 4.461 -2.194 1.00 10.31 O ATOM 1737 CB GLN D 62 24.404 3.205 -5.203 1.00 12.53 C ATOM 1738 CG GLN D 62 24.201 3.012 -6.697 1.00 14.91 C ATOM 1739 CD GLN D 62 22.738 2.898 -7.078 1.00 14.71 C ATOM 1740 OE1 GLN D 62 21.883 2.636 -6.232 1.00 14.34 O ATOM 1741 NE2 GLN D 62 22.441 3.093 -8.357 1.00 15.34 N ATOM 0 H GLN D 62 23.833 5.322 -6.344 1.00 12.79 H new ATOM 0 HA GLN D 62 22.511 3.769 -4.365 1.00 11.95 H new ATOM 0 HB2 GLN D 62 25.436 3.505 -5.021 1.00 12.53 H new ATOM 0 HB3 GLN D 62 24.257 2.250 -4.699 1.00 12.53 H new ATOM 0 HG2 GLN D 62 24.647 3.851 -7.232 1.00 14.91 H new ATOM 0 HG3 GLN D 62 24.727 2.113 -7.018 1.00 14.91 H new ATOM 0 HE21 GLN D 62 23.181 3.308 -9.025 1.00 15.34 H new ATOM 0 HE22 GLN D 62 21.473 3.028 -8.671 1.00 15.34 H new ATOM 1750 N SER D 63 25.111 5.583 -3.415 1.00 10.94 N ATOM 1751 CA SER D 63 25.782 6.167 -2.258 1.00 10.48 C ATOM 1752 C SER D 63 24.779 6.837 -1.327 1.00 8.17 C ATOM 1753 O SER D 63 24.559 6.383 -0.205 1.00 6.67 O ATOM 1754 CB SER D 63 26.829 7.191 -2.702 1.00 12.71 C ATOM 1755 OG SER D 63 26.535 7.705 -3.989 1.00 13.09 O ATOM 0 H SER D 63 25.514 5.850 -4.313 1.00 10.94 H new ATOM 0 HA SER D 63 26.277 5.359 -1.720 1.00 10.48 H new ATOM 0 HB2 SER D 63 26.869 8.009 -1.982 1.00 12.71 H new ATOM 0 HB3 SER D 63 27.815 6.726 -2.711 1.00 12.71 H new ATOM 0 HG SER D 63 25.709 8.231 -3.950 1.00 13.09 H new ATOM 1761 N GLU D 64 24.174 7.925 -1.801 1.00 8.32 N ATOM 1762 CA GLU D 64 23.196 8.665 -1.014 1.00 6.48 C ATOM 1763 C GLU D 64 22.198 7.718 -0.350 1.00 4.81 C ATOM 1764 O GLU D 64 21.708 7.985 0.746 1.00 4.98 O ATOM 1765 CB GLU D 64 22.467 9.683 -1.897 1.00 7.72 C ATOM 1766 CG GLU D 64 21.391 9.075 -2.785 1.00 9.14 C ATOM 1767 CD GLU D 64 21.013 9.977 -3.943 1.00 10.72 C ATOM 1768 OE1 GLU D 64 21.832 10.845 -4.311 1.00 12.17 O ATOM 1769 OE2 GLU D 64 19.900 9.813 -4.484 1.00 10.88 O ATOM 0 H GLU D 64 24.346 8.312 -2.729 1.00 8.32 H new ATOM 0 HA GLU D 64 23.725 9.201 -0.226 1.00 6.48 H new ATOM 0 HB2 GLU D 64 22.012 10.441 -1.260 1.00 7.72 H new ATOM 0 HB3 GLU D 64 23.198 10.192 -2.526 1.00 7.72 H new ATOM 0 HG2 GLU D 64 21.743 8.119 -3.173 1.00 9.14 H new ATOM 0 HG3 GLU D 64 20.504 8.868 -2.186 1.00 9.14 H new ATOM 1776 N LEU D 65 21.909 6.608 -1.021 1.00 3.57 N ATOM 1777 CA LEU D 65 20.980 5.619 -0.494 1.00 2.84 C ATOM 1778 C LEU D 65 21.576 4.920 0.723 1.00 3.06 C ATOM 1779 O LEU D 65 20.888 4.683 1.716 1.00 3.49 O ATOM 1780 CB LEU D 65 20.629 4.590 -1.571 1.00 3.72 C ATOM 1781 CG LEU D 65 19.147 4.526 -1.946 1.00 4.80 C ATOM 1782 CD1 LEU D 65 18.984 4.373 -3.450 1.00 5.79 C ATOM 1783 CD2 LEU D 65 18.461 3.382 -1.212 1.00 4.58 C ATOM 0 H LEU D 65 22.305 6.372 -1.931 1.00 3.57 H new ATOM 0 HA LEU D 65 20.069 6.133 -0.189 1.00 2.84 H new ATOM 0 HB2 LEU D 65 21.206 4.814 -2.468 1.00 3.72 H new ATOM 0 HB3 LEU D 65 20.944 3.605 -1.227 1.00 3.72 H new ATOM 0 HG LEU D 65 18.673 5.460 -1.644 1.00 4.80 H new ATOM 0 HD11 LEU D 65 17.924 4.329 -3.698 1.00 5.79 H new ATOM 0 HD12 LEU D 65 19.440 5.225 -3.954 1.00 5.79 H new ATOM 0 HD13 LEU D 65 19.472 3.455 -3.777 1.00 5.79 H new ATOM 0 HD21 LEU D 65 17.408 3.351 -1.490 1.00 4.58 H new ATOM 0 HD22 LEU D 65 18.936 2.439 -1.483 1.00 4.58 H new ATOM 0 HD23 LEU D 65 18.548 3.536 -0.136 1.00 4.58 H new ATOM 1795 N VAL D 66 22.863 4.593 0.639 1.00 3.47 N ATOM 1796 CA VAL D 66 23.555 3.923 1.731 1.00 3.83 C ATOM 1797 C VAL D 66 23.666 4.827 2.954 1.00 5.11 C ATOM 1798 O VAL D 66 23.545 4.368 4.090 1.00 5.65 O ATOM 1799 CB VAL D 66 24.967 3.475 1.310 1.00 5.81 C ATOM 1800 CG1 VAL D 66 25.622 2.655 2.410 1.00 6.39 C ATOM 1801 CG2 VAL D 66 24.910 2.687 0.009 1.00 7.20 C ATOM 0 H VAL D 66 23.446 4.782 -0.176 1.00 3.47 H new ATOM 0 HA VAL D 66 22.962 3.045 1.986 1.00 3.83 H new ATOM 0 HB VAL D 66 25.575 4.365 1.145 1.00 5.81 H new ATOM 0 HG11 VAL D 66 26.618 2.349 2.091 1.00 6.39 H new ATOM 0 HG12 VAL D 66 25.699 3.257 3.315 1.00 6.39 H new ATOM 0 HG13 VAL D 66 25.018 1.770 2.613 1.00 6.39 H new ATOM 0 HG21 VAL D 66 25.916 2.378 -0.274 1.00 7.20 H new ATOM 0 HG22 VAL D 66 24.285 1.805 0.145 1.00 7.20 H new ATOM 0 HG23 VAL D 66 24.488 3.313 -0.777 1.00 7.20 H new ATOM 1811 N LYS D 67 23.901 6.111 2.715 1.00 6.63 N ATOM 1812 CA LYS D 67 24.033 7.078 3.799 1.00 8.86 C ATOM 1813 C LYS D 67 22.778 7.104 4.666 1.00 9.54 C ATOM 1814 O LYS D 67 22.855 6.984 5.887 1.00 10.65 O ATOM 1815 CB LYS D 67 24.309 8.474 3.238 1.00 11.41 C ATOM 1816 CG LYS D 67 25.103 9.362 4.182 1.00 12.53 C ATOM 1817 CD LYS D 67 25.061 10.818 3.747 1.00 15.32 C ATOM 1818 CE LYS D 67 25.097 11.759 4.941 1.00 17.28 C ATOM 1819 NZ LYS D 67 24.068 12.830 4.835 1.00 18.94 N ATOM 0 H LYS D 67 24.004 6.507 1.781 1.00 6.63 H new ATOM 0 HA LYS D 67 24.874 6.772 4.421 1.00 8.86 H new ATOM 0 HB2 LYS D 67 24.853 8.378 2.299 1.00 11.41 H new ATOM 0 HB3 LYS D 67 23.360 8.959 3.008 1.00 11.41 H new ATOM 0 HG2 LYS D 67 24.702 9.271 5.192 1.00 12.53 H new ATOM 0 HG3 LYS D 67 26.138 9.022 4.218 1.00 12.53 H new ATOM 0 HD2 LYS D 67 25.907 11.027 3.092 1.00 15.32 H new ATOM 0 HD3 LYS D 67 24.156 10.999 3.167 1.00 15.32 H new ATOM 0 HE2 LYS D 67 24.936 11.190 5.857 1.00 17.28 H new ATOM 0 HE3 LYS D 67 26.086 12.212 5.017 1.00 17.28 H new ATOM 0 HZ1 LYS D 67 24.125 13.450 5.668 1.00 18.94 H new ATOM 0 HZ2 LYS D 67 24.236 13.389 3.975 1.00 18.94 H new ATOM 0 HZ3 LYS D 67 23.122 12.400 4.788 1.00 18.94 H new ATOM 1833 N LYS D 68 21.623 7.262 4.028 1.00 9.57 N ATOM 1834 CA LYS D 68 20.355 7.305 4.748 1.00 10.94 C ATOM 1835 C LYS D 68 20.140 6.023 5.545 1.00 10.53 C ATOM 1836 O LYS D 68 19.526 6.039 6.611 1.00 11.18 O ATOM 1837 CB LYS D 68 19.194 7.516 3.775 1.00 10.65 C ATOM 1838 CG LYS D 68 17.877 7.836 4.462 1.00 12.39 C ATOM 1839 CD LYS D 68 16.814 8.260 3.461 1.00 14.18 C ATOM 1840 CE LYS D 68 15.432 8.289 4.094 1.00 15.90 C ATOM 1841 NZ LYS D 68 14.412 8.862 3.174 1.00 17.55 N ATOM 0 H LYS D 68 21.539 7.362 3.016 1.00 9.57 H new ATOM 0 HA LYS D 68 20.390 8.144 5.443 1.00 10.94 H new ATOM 0 HB2 LYS D 68 19.445 8.328 3.093 1.00 10.65 H new ATOM 0 HB3 LYS D 68 19.070 6.618 3.170 1.00 10.65 H new ATOM 0 HG2 LYS D 68 17.531 6.961 5.013 1.00 12.39 H new ATOM 0 HG3 LYS D 68 18.030 8.632 5.191 1.00 12.39 H new ATOM 0 HD2 LYS D 68 17.056 9.247 3.068 1.00 14.18 H new ATOM 0 HD3 LYS D 68 16.814 7.572 2.616 1.00 14.18 H new ATOM 0 HE2 LYS D 68 15.140 7.277 4.375 1.00 15.90 H new ATOM 0 HE3 LYS D 68 15.465 8.877 5.011 1.00 15.90 H new ATOM 0 HZ1 LYS D 68 13.484 8.864 3.643 1.00 17.55 H new ATOM 0 HZ2 LYS D 68 14.677 9.837 2.926 1.00 17.55 H new ATOM 0 HZ3 LYS D 68 14.362 8.286 2.309 1.00 17.55 H new ATOM 1855 N MET D 69 20.651 4.913 5.020 1.00 10.05 N ATOM 1856 CA MET D 69 20.515 3.621 5.684 1.00 10.62 C ATOM 1857 C MET D 69 21.388 3.555 6.932 1.00 12.01 C ATOM 1858 O MET D 69 20.923 3.179 8.009 1.00 12.89 O ATOM 1859 CB MET D 69 20.896 2.490 4.726 1.00 8.69 C ATOM 1860 CG MET D 69 20.630 1.103 5.287 1.00 9.59 C ATOM 1861 SD MET D 69 21.506 -0.190 4.385 1.00 9.39 S ATOM 1862 CE MET D 69 23.173 0.465 4.388 1.00 7.59 C ATOM 0 H MET D 69 21.162 4.882 4.138 1.00 10.05 H new ATOM 0 HA MET D 69 19.473 3.503 5.983 1.00 10.62 H new ATOM 0 HB2 MET D 69 20.340 2.610 3.796 1.00 8.69 H new ATOM 0 HB3 MET D 69 21.954 2.576 4.478 1.00 8.69 H new ATOM 0 HG2 MET D 69 20.928 1.076 6.335 1.00 9.59 H new ATOM 0 HG3 MET D 69 19.559 0.901 5.255 1.00 9.59 H new ATOM 0 HE1 MET D 69 23.870 -0.313 4.077 1.00 7.59 H new ATOM 0 HE2 MET D 69 23.235 1.305 3.696 1.00 7.59 H new ATOM 0 HE3 MET D 69 23.430 0.802 5.392 1.00 7.59 H new ATOM 1872 N VAL D 70 22.656 3.922 6.780 1.00 12.28 N ATOM 1873 CA VAL D 70 23.594 3.902 7.894 1.00 13.67 C ATOM 1874 C VAL D 70 23.372 5.095 8.818 1.00 15.19 C ATOM 1875 O VAL D 70 23.711 5.047 10.001 1.00 15.52 O ATOM 1876 CB VAL D 70 25.052 3.906 7.400 1.00 12.12 C ATOM 1877 CG1 VAL D 70 26.016 3.828 8.574 1.00 12.06 C ATOM 1878 CG2 VAL D 70 25.285 2.756 6.430 1.00 10.36 C ATOM 0 H VAL D 70 23.057 4.237 5.896 1.00 12.28 H new ATOM 0 HA VAL D 70 23.412 2.981 8.448 1.00 13.67 H new ATOM 0 HB VAL D 70 25.237 4.842 6.873 1.00 12.12 H new ATOM 0 HG11 VAL D 70 27.041 3.832 8.204 1.00 12.06 H new ATOM 0 HG12 VAL D 70 25.863 4.686 9.228 1.00 12.06 H new ATOM 0 HG13 VAL D 70 25.836 2.910 9.133 1.00 12.06 H new ATOM 0 HG21 VAL D 70 26.320 2.772 6.089 1.00 10.36 H new ATOM 0 HG22 VAL D 70 25.082 1.810 6.932 1.00 10.36 H new ATOM 0 HG23 VAL D 70 24.619 2.862 5.573 1.00 10.36 H new ATOM 1888 N PHE D 71 22.798 6.162 8.273 1.00 16.49 N ATOM 1889 CA PHE D 71 22.527 7.364 9.052 1.00 18.45 C ATOM 1890 C PHE D 71 21.583 7.054 10.208 1.00 19.86 C ATOM 1891 O PHE D 71 21.873 7.372 11.361 1.00 20.20 O ATOM 1892 CB PHE D 71 21.921 8.452 8.161 1.00 20.21 C ATOM 1893 CG PHE D 71 21.600 9.721 8.898 1.00 21.62 C ATOM 1894 CD1 PHE D 71 22.579 10.368 9.664 1.00 21.67 C ATOM 1895 CD2 PHE D 71 20.316 10.280 8.830 1.00 23.18 C ATOM 1896 CE1 PHE D 71 22.283 11.550 10.351 1.00 23.29 C ATOM 1897 CE2 PHE D 71 20.014 11.461 9.515 1.00 24.67 C ATOM 1898 CZ PHE D 71 20.999 12.097 10.276 1.00 24.73 C ATOM 0 H PHE D 71 22.512 6.219 7.296 1.00 16.49 H new ATOM 0 HA PHE D 71 23.471 7.725 9.460 1.00 18.45 H new ATOM 0 HB2 PHE D 71 22.616 8.677 7.352 1.00 20.21 H new ATOM 0 HB3 PHE D 71 21.010 8.068 7.701 1.00 20.21 H new ATOM 0 HD1 PHE D 71 23.573 9.950 9.725 1.00 21.67 H new ATOM 0 HD2 PHE D 71 19.552 9.793 8.242 1.00 23.18 H new ATOM 0 HE1 PHE D 71 23.046 12.039 10.939 1.00 23.29 H new ATOM 0 HE2 PHE D 71 19.021 11.881 9.456 1.00 24.67 H new ATOM 0 HZ PHE D 71 20.768 13.010 10.805 1.00 24.73 H new ATOM 1908 N ASP D 72 20.455 6.425 9.892 1.00 20.91 N ATOM 1909 CA ASP D 72 19.473 6.066 10.907 1.00 22.64 C ATOM 1910 C ASP D 72 20.050 5.035 11.870 1.00 21.44 C ATOM 1911 O ASP D 72 19.831 5.107 13.078 1.00 21.44 O ATOM 1912 CB ASP D 72 18.203 5.522 10.251 1.00 24.37 C ATOM 1913 CG ASP D 72 17.038 6.488 10.360 1.00 26.66 C ATOM 1914 OD1 ASP D 72 17.171 7.633 9.879 1.00 26.49 O ATOM 1915 OD2 ASP D 72 15.996 6.100 10.928 1.00 28.78 O ATOM 0 H ASP D 72 20.199 6.154 8.942 1.00 20.91 H new ATOM 0 HA ASP D 72 19.219 6.964 11.471 1.00 22.64 H new ATOM 0 HB2 ASP D 72 18.401 5.313 9.200 1.00 24.37 H new ATOM 0 HB3 ASP D 72 17.932 4.576 10.719 1.00 24.37 H new ATOM 1920 N THR D 73 20.796 4.078 11.326 1.00 20.61 N ATOM 1921 CA THR D 73 21.412 3.035 12.137 1.00 19.60 C ATOM 1922 C THR D 73 22.284 3.646 13.230 1.00 19.82 C ATOM 1923 O THR D 73 22.103 3.361 14.414 1.00 20.83 O ATOM 1924 CB THR D 73 22.252 2.106 11.258 1.00 16.89 C ATOM 1925 OG1 THR D 73 21.433 1.423 10.327 1.00 16.57 O ATOM 1926 CG2 THR D 73 23.018 1.067 12.047 1.00 16.23 C ATOM 0 H THR D 73 20.988 4.004 10.327 1.00 20.61 H new ATOM 0 HA THR D 73 20.618 2.456 12.609 1.00 19.60 H new ATOM 0 HB THR D 73 22.968 2.754 10.753 1.00 16.89 H new ATOM 0 HG1 THR D 73 21.273 1.997 9.549 1.00 16.57 H new ATOM 0 HG21 THR D 73 23.592 0.442 11.364 1.00 16.23 H new ATOM 0 HG22 THR D 73 23.696 1.564 12.741 1.00 16.23 H new ATOM 0 HG23 THR D 73 22.318 0.446 12.606 1.00 16.23 H new ATOM 1934 N LEU D 74 23.228 4.488 12.823 1.00 19.04 N ATOM 1935 CA LEU D 74 24.127 5.142 13.767 1.00 19.30 C ATOM 1936 C LEU D 74 23.343 5.954 14.791 1.00 21.50 C ATOM 1937 O LEU D 74 23.656 5.938 15.981 1.00 22.02 O ATOM 1938 CB LEU D 74 25.111 6.050 13.025 1.00 17.20 C ATOM 1939 CG LEU D 74 26.184 5.317 12.217 1.00 15.29 C ATOM 1940 CD1 LEU D 74 26.643 6.170 11.044 1.00 15.75 C ATOM 1941 CD2 LEU D 74 27.362 4.952 13.106 1.00 13.06 C ATOM 0 H LEU D 74 23.390 4.733 11.846 1.00 19.04 H new ATOM 0 HA LEU D 74 24.685 4.367 14.293 1.00 19.30 H new ATOM 0 HB2 LEU D 74 24.548 6.696 12.351 1.00 17.20 H new ATOM 0 HB3 LEU D 74 25.603 6.697 13.751 1.00 17.20 H new ATOM 0 HG LEU D 74 25.752 4.397 11.824 1.00 15.29 H new ATOM 0 HD11 LEU D 74 27.406 5.633 10.480 1.00 15.75 H new ATOM 0 HD12 LEU D 74 25.794 6.382 10.394 1.00 15.75 H new ATOM 0 HD13 LEU D 74 27.058 7.107 11.416 1.00 15.75 H new ATOM 0 HD21 LEU D 74 28.116 4.431 12.515 1.00 13.06 H new ATOM 0 HD22 LEU D 74 27.794 5.859 13.528 1.00 13.06 H new ATOM 0 HD23 LEU D 74 27.022 4.303 13.913 1.00 13.06 H new ATOM 1953 N LYS D 75 22.317 6.662 14.323 1.00 22.88 N ATOM 1954 CA LYS D 75 21.485 7.476 15.203 1.00 25.20 C ATOM 1955 C LYS D 75 21.032 6.668 16.414 1.00 27.09 C ATOM 1956 O LYS D 75 21.022 7.166 17.540 1.00 28.86 O ATOM 1957 CB LYS D 75 20.269 8.009 14.444 1.00 25.35 C ATOM 1958 CG LYS D 75 19.443 9.007 15.241 1.00 26.23 C ATOM 1959 CD LYS D 75 19.282 10.320 14.491 1.00 25.85 C ATOM 1960 CE LYS D 75 18.316 10.181 13.325 1.00 26.45 C ATOM 1961 NZ LYS D 75 17.797 11.501 12.871 1.00 26.46 N ATOM 0 H LYS D 75 22.043 6.688 13.341 1.00 22.88 H new ATOM 0 HA LYS D 75 22.081 8.320 15.551 1.00 25.20 H new ATOM 0 HB2 LYS D 75 20.606 8.483 13.522 1.00 25.35 H new ATOM 0 HB3 LYS D 75 19.634 7.171 14.158 1.00 25.35 H new ATOM 0 HG2 LYS D 75 18.461 8.583 15.450 1.00 26.23 H new ATOM 0 HG3 LYS D 75 19.922 9.192 16.203 1.00 26.23 H new ATOM 0 HD2 LYS D 75 18.921 11.089 15.174 1.00 25.85 H new ATOM 0 HD3 LYS D 75 20.253 10.651 14.123 1.00 25.85 H new ATOM 0 HE2 LYS D 75 18.818 9.684 12.495 1.00 26.45 H new ATOM 0 HE3 LYS D 75 17.481 9.545 13.619 1.00 26.45 H new ATOM 0 HZ1 LYS D 75 17.142 11.361 12.075 1.00 26.46 H new ATOM 0 HZ2 LYS D 75 17.295 11.965 13.655 1.00 26.46 H new ATOM 0 HZ3 LYS D 75 18.591 12.100 12.565 1.00 26.46 H new ATOM 1975 N ASP D 76 20.663 5.415 16.173 1.00 26.92 N ATOM 1976 CA ASP D 76 20.217 4.531 17.237 1.00 28.88 C ATOM 1977 C ASP D 76 21.409 3.999 18.026 1.00 29.31 C ATOM 1978 O ASP D 76 21.311 3.744 19.225 1.00 31.34 O ATOM 1979 CB ASP D 76 19.411 3.367 16.657 1.00 28.60 C ATOM 1980 CG ASP D 76 18.272 2.944 17.563 1.00 29.69 C ATOM 1981 OD1 ASP D 76 18.030 3.633 18.574 1.00 29.56 O ATOM 1982 OD2 ASP D 76 17.620 1.923 17.258 1.00 30.80 O ATOM 0 H ASP D 76 20.665 4.990 15.246 1.00 26.92 H new ATOM 0 HA ASP D 76 19.579 5.101 17.912 1.00 28.88 H new ATOM 0 HB2 ASP D 76 19.011 3.655 15.685 1.00 28.60 H new ATOM 0 HB3 ASP D 76 20.073 2.518 16.490 1.00 28.60 H new ATOM 1987 N LEU D 77 22.536 3.839 17.339 1.00 27.45 N ATOM 1988 CA LEU D 77 23.754 3.342 17.967 1.00 27.69 C ATOM 1989 C LEU D 77 24.248 4.312 19.036 1.00 29.44 C ATOM 1990 O LEU D 77 24.677 3.897 20.113 1.00 30.79 O ATOM 1991 CB LEU D 77 24.841 3.127 16.913 1.00 25.38 C ATOM 1992 CG LEU D 77 24.780 1.785 16.185 1.00 24.15 C ATOM 1993 CD1 LEU D 77 25.727 1.781 14.995 1.00 21.88 C ATOM 1994 CD2 LEU D 77 25.112 0.646 17.138 1.00 25.35 C ATOM 0 H LEU D 77 22.630 4.047 16.345 1.00 27.45 H new ATOM 0 HA LEU D 77 23.527 2.389 18.445 1.00 27.69 H new ATOM 0 HB2 LEU D 77 24.774 3.927 16.175 1.00 25.38 H new ATOM 0 HB3 LEU D 77 25.815 3.218 17.394 1.00 25.38 H new ATOM 0 HG LEU D 77 23.765 1.638 15.816 1.00 24.15 H new ATOM 0 HD11 LEU D 77 25.671 0.818 14.488 1.00 21.88 H new ATOM 0 HD12 LEU D 77 25.443 2.573 14.302 1.00 21.88 H new ATOM 0 HD13 LEU D 77 26.747 1.950 15.341 1.00 21.88 H new ATOM 0 HD21 LEU D 77 25.064 -0.302 16.603 1.00 25.35 H new ATOM 0 HD22 LEU D 77 26.117 0.787 17.537 1.00 25.35 H new ATOM 0 HD23 LEU D 77 24.394 0.637 17.958 1.00 25.35 H new ATOM 2006 N TYR D 78 24.181 5.603 18.730 1.00 29.63 N ATOM 2007 CA TYR D 78 24.619 6.633 19.663 1.00 31.46 C ATOM 2008 C TYR D 78 23.506 6.980 20.648 1.00 33.27 C ATOM 2009 O TYR D 78 23.758 7.198 21.833 1.00 33.61 O ATOM 2010 CB TYR D 78 25.050 7.886 18.901 1.00 32.30 C ATOM 2011 CG TYR D 78 26.467 7.822 18.374 1.00 31.87 C ATOM 2012 CD1 TYR D 78 27.546 7.564 19.237 1.00 32.35 C ATOM 2013 CD2 TYR D 78 26.736 8.019 17.009 1.00 31.24 C ATOM 2014 CE1 TYR D 78 28.857 7.505 18.752 1.00 32.13 C ATOM 2015 CE2 TYR D 78 28.044 7.961 16.518 1.00 30.97 C ATOM 2016 CZ TYR D 78 29.099 7.704 17.394 1.00 31.39 C ATOM 2017 OH TYR D 78 30.387 7.647 16.913 1.00 31.32 O ATOM 0 H TYR D 78 23.827 5.961 17.843 1.00 29.63 H new ATOM 0 HA TYR D 78 25.470 6.246 20.224 1.00 31.46 H new ATOM 0 HB2 TYR D 78 24.368 8.045 18.065 1.00 32.30 H new ATOM 0 HB3 TYR D 78 24.955 8.750 19.558 1.00 32.30 H new ATOM 0 HD1 TYR D 78 27.360 7.409 20.290 1.00 32.35 H new ATOM 0 HD2 TYR D 78 25.921 8.218 16.329 1.00 31.24 H new ATOM 0 HE1 TYR D 78 29.677 7.306 19.426 1.00 32.13 H new ATOM 0 HE2 TYR D 78 28.236 8.114 15.466 1.00 30.97 H new ATOM 0 HH TYR D 78 30.382 7.806 15.946 1.00 31.32 H new ATOM 2027 N LYS D 79 22.276 7.031 20.147 1.00 34.51 N ATOM 2028 CA LYS D 79 21.126 7.350 20.983 1.00 36.43 C ATOM 2029 C LYS D 79 21.075 6.443 22.207 1.00 37.46 C ATOM 2030 O LYS D 79 20.893 6.909 23.331 1.00 37.62 O ATOM 2031 CB LYS D 79 19.832 7.216 20.177 1.00 35.91 C ATOM 2032 CG LYS D 79 18.573 7.407 21.008 1.00 37.51 C ATOM 2033 CD LYS D 79 17.396 7.832 20.145 1.00 38.76 C ATOM 2034 CE LYS D 79 16.117 7.123 20.558 1.00 38.94 C ATOM 2035 NZ LYS D 79 16.268 5.642 20.531 1.00 39.29 N ATOM 0 H LYS D 79 22.051 6.856 19.168 1.00 34.51 H new ATOM 0 HA LYS D 79 21.229 8.381 21.323 1.00 36.43 H new ATOM 0 HB2 LYS D 79 19.839 7.949 19.370 1.00 35.91 H new ATOM 0 HB3 LYS D 79 19.804 6.231 19.712 1.00 35.91 H new ATOM 0 HG2 LYS D 79 18.331 6.477 21.523 1.00 37.51 H new ATOM 0 HG3 LYS D 79 18.753 8.159 21.776 1.00 37.51 H new ATOM 0 HD2 LYS D 79 17.257 8.910 20.223 1.00 38.76 H new ATOM 0 HD3 LYS D 79 17.613 7.614 19.099 1.00 38.76 H new ATOM 0 HE2 LYS D 79 15.834 7.441 21.562 1.00 38.94 H new ATOM 0 HE3 LYS D 79 15.307 7.417 19.890 1.00 38.94 H new ATOM 0 HZ1 LYS D 79 15.355 5.204 20.295 1.00 39.29 H new ATOM 0 HZ2 LYS D 79 16.974 5.378 19.814 1.00 39.29 H new ATOM 0 HZ3 LYS D 79 16.581 5.308 21.465 1.00 39.29 H new