USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 MET CE :methyl 141:sc= -3.16! (180deg=-5.16!) USER MOD Set 1.2: C 73 THR OG1 : rot 92:sc= 0.294 USER MOD Set 2.1: B 73 THR OG1 : rot 110:sc= -1.26 USER MOD Set 2.2: D 62 GLN : amide:sc= -4.65! C(o=-5.9!,f=-7.2!) USER MOD Set 3.1: B 62 GLN : amide:sc= -5.1! C(o=-6.4!,f=-7!) USER MOD Set 3.2: D 73 THR OG1 : rot 110:sc= -1.29 USER MOD Set 4.1: A 73 THR OG1 : rot 94:sc= 0.235 USER MOD Set 4.2: C 69 MET CE :methyl 142:sc= -3.28! (180deg=-5!) USER MOD Single : A 62 GLN : amide:sc= -0.288 K(o=-0.29,f=-2.6!) USER MOD Single : A 63 SER OG : rot -45:sc= -2.35 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 -90:sc= -4.52! 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 -74:sc= -3.04! USER MOD Single : B 63 SER OG : rot -103:sc= -0.068 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl 165:sc= -3.65 (180deg=-4.8!) USER MOD Single : B 75 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.43) USER MOD Single : B 78 TYR OH : rot 180:sc= -1.35 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.8!) USER MOD Single : C 63 SER OG : rot -46:sc= -2.21 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 -88:sc= -4.2! 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 -65:sc= -3.85! USER MOD Single : D 63 SER OG : rot -64:sc= -0.0886 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 166:sc= -3.61 (180deg=-4.83!) USER MOD Single : D 75 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.448) USER MOD Single : D 78 TYR OH : rot 180:sc= -1.23 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 24.479 -11.736 -16.646 1.00 30.45 N ATOM 54 CA ALA A 55 24.357 -10.518 -15.858 1.00 28.11 C ATOM 55 C ALA A 55 23.852 -10.830 -14.454 1.00 26.32 C ATOM 56 O ALA A 55 24.236 -10.173 -13.485 1.00 24.96 O ATOM 57 CB ALA A 55 23.428 -9.530 -16.549 1.00 26.84 C ATOM 0 HA ALA A 55 25.345 -10.066 -15.773 1.00 28.11 H new ATOM 0 HB1 ALA A 55 23.347 -8.625 -15.947 1.00 26.84 H new ATOM 0 HB2 ALA A 55 23.829 -9.279 -17.531 1.00 26.84 H new ATOM 0 HB3 ALA A 55 22.441 -9.978 -16.664 1.00 26.84 H new ATOM 63 N GLU A 56 22.995 -11.841 -14.350 1.00 26.52 N ATOM 64 CA GLU A 56 22.445 -12.246 -13.062 1.00 25.14 C ATOM 65 C GLU A 56 23.539 -12.822 -12.172 1.00 25.89 C ATOM 66 O GLU A 56 23.746 -12.367 -11.048 1.00 25.95 O ATOM 67 CB GLU A 56 21.333 -13.278 -13.258 1.00 25.90 C ATOM 68 CG GLU A 56 19.948 -12.752 -12.917 1.00 26.04 C ATOM 69 CD GLU A 56 18.908 -13.854 -12.848 1.00 26.88 C ATOM 70 OE1 GLU A 56 18.554 -14.403 -13.912 1.00 27.84 O ATOM 71 OE2 GLU A 56 18.448 -14.165 -11.729 1.00 26.74 O ATOM 0 H GLU A 56 22.667 -12.394 -15.142 1.00 26.52 H new ATOM 0 HA GLU A 56 22.026 -11.365 -12.576 1.00 25.14 H new ATOM 0 HB2 GLU A 56 21.340 -13.615 -14.295 1.00 25.90 H new ATOM 0 HB3 GLU A 56 21.544 -14.150 -12.639 1.00 25.90 H new ATOM 0 HG2 GLU A 56 19.986 -12.232 -11.960 1.00 26.04 H new ATOM 0 HG3 GLU A 56 19.647 -12.019 -13.666 1.00 26.04 H new ATOM 78 N ARG A 57 24.241 -13.821 -12.691 1.00 26.58 N ATOM 79 CA ARG A 57 25.323 -14.458 -11.955 1.00 27.36 C ATOM 80 C ARG A 57 26.495 -13.497 -11.799 1.00 27.91 C ATOM 81 O ARG A 57 27.104 -13.405 -10.732 1.00 28.68 O ATOM 82 CB ARG A 57 25.778 -15.733 -12.669 1.00 27.42 C ATOM 83 CG ARG A 57 26.228 -15.503 -14.103 1.00 27.25 C ATOM 84 CD ARG A 57 26.912 -16.734 -14.676 1.00 27.46 C ATOM 85 NE ARG A 57 26.268 -17.970 -14.243 1.00 26.76 N ATOM 86 CZ ARG A 57 26.866 -19.156 -14.262 1.00 26.64 C ATOM 87 NH1 ARG A 57 28.116 -19.266 -14.689 1.00 27.06 N ATOM 88 NH2 ARG A 57 26.214 -20.235 -13.853 1.00 26.16 N ATOM 0 H ARG A 57 24.079 -14.208 -13.621 1.00 26.58 H new ATOM 0 HA ARG A 57 24.955 -14.726 -10.965 1.00 27.36 H new ATOM 0 HB2 ARG A 57 26.598 -16.180 -12.107 1.00 27.42 H new ATOM 0 HB3 ARG A 57 24.959 -16.453 -12.665 1.00 27.42 H new ATOM 0 HG2 ARG A 57 25.367 -15.244 -14.719 1.00 27.25 H new ATOM 0 HG3 ARG A 57 26.912 -14.655 -14.139 1.00 27.25 H new ATOM 0 HD2 ARG A 57 26.900 -16.681 -15.765 1.00 27.46 H new ATOM 0 HD3 ARG A 57 27.958 -16.743 -14.369 1.00 27.46 H new ATOM 0 HE ARG A 57 25.306 -17.920 -13.907 1.00 26.76 H new ATOM 0 HH11 ARG A 57 28.622 -18.438 -15.004 1.00 27.06 H new ATOM 0 HH12 ARG A 57 28.572 -20.178 -14.702 1.00 27.06 H new ATOM 0 HH21 ARG A 57 25.252 -20.155 -13.523 1.00 26.16 H new ATOM 0 HH22 ARG A 57 26.674 -21.145 -13.868 1.00 26.16 H new ATOM 102 N LEU A 58 26.798 -12.775 -12.872 1.00 27.53 N ATOM 103 CA LEU A 58 27.888 -11.807 -12.866 1.00 28.02 C ATOM 104 C LEU A 58 27.608 -10.696 -11.860 1.00 25.84 C ATOM 105 O LEU A 58 28.463 -10.353 -11.044 1.00 24.75 O ATOM 106 CB LEU A 58 28.073 -11.217 -14.266 1.00 28.62 C ATOM 107 CG LEU A 58 29.094 -10.082 -14.372 1.00 27.91 C ATOM 108 CD1 LEU A 58 28.499 -8.777 -13.868 1.00 25.37 C ATOM 109 CD2 LEU A 58 30.358 -10.429 -13.602 1.00 28.77 C ATOM 0 H LEU A 58 26.302 -12.843 -13.760 1.00 27.53 H new ATOM 0 HA LEU A 58 28.806 -12.317 -12.573 1.00 28.02 H new ATOM 0 HB2 LEU A 58 28.374 -12.017 -14.942 1.00 28.62 H new ATOM 0 HB3 LEU A 58 27.109 -10.849 -14.617 1.00 28.62 H new ATOM 0 HG LEU A 58 29.357 -9.953 -15.422 1.00 27.91 H new ATOM 0 HD11 LEU A 58 29.241 -7.983 -13.952 1.00 25.37 H new ATOM 0 HD12 LEU A 58 27.624 -8.521 -14.466 1.00 25.37 H new ATOM 0 HD13 LEU A 58 28.205 -8.890 -12.825 1.00 25.37 H new ATOM 0 HD21 LEU A 58 31.073 -9.611 -13.688 1.00 28.77 H new ATOM 0 HD22 LEU A 58 30.112 -10.587 -12.552 1.00 28.77 H new ATOM 0 HD23 LEU A 58 30.796 -11.338 -14.013 1.00 28.77 H new ATOM 121 N ALA A 59 26.402 -10.142 -11.924 1.00 25.37 N ATOM 122 CA ALA A 59 26.003 -9.073 -11.017 1.00 23.37 C ATOM 123 C ALA A 59 26.104 -9.526 -9.566 1.00 22.96 C ATOM 124 O ALA A 59 26.478 -8.748 -8.688 1.00 22.66 O ATOM 125 CB ALA A 59 24.588 -8.615 -11.333 1.00 21.14 C ATOM 0 H ALA A 59 25.684 -10.416 -12.595 1.00 25.37 H new ATOM 0 HA ALA A 59 26.683 -8.233 -11.158 1.00 23.37 H new ATOM 0 HB1 ALA A 59 24.303 -7.816 -10.648 1.00 21.14 H new ATOM 0 HB2 ALA A 59 24.545 -8.247 -12.358 1.00 21.14 H new ATOM 0 HB3 ALA A 59 23.900 -9.453 -11.220 1.00 21.14 H new ATOM 131 N ASP A 60 25.772 -10.789 -9.320 1.00 23.37 N ATOM 132 CA ASP A 60 25.829 -11.347 -7.974 1.00 23.56 C ATOM 133 C ASP A 60 27.208 -11.126 -7.362 1.00 22.97 C ATOM 134 O ASP A 60 27.331 -10.615 -6.250 1.00 22.76 O ATOM 135 CB ASP A 60 25.500 -12.841 -7.999 1.00 25.86 C ATOM 136 CG ASP A 60 24.451 -13.221 -6.973 1.00 26.29 C ATOM 137 OD1 ASP A 60 24.534 -12.729 -5.828 1.00 26.18 O ATOM 138 OD2 ASP A 60 23.547 -14.012 -7.314 1.00 26.75 O ATOM 0 H ASP A 60 25.461 -11.446 -10.036 1.00 23.37 H new ATOM 0 HA ASP A 60 25.088 -10.835 -7.361 1.00 23.56 H new ATOM 0 HB2 ASP A 60 25.148 -13.116 -8.993 1.00 25.86 H new ATOM 0 HB3 ASP A 60 26.409 -13.413 -7.814 1.00 25.86 H new ATOM 143 N GLU A 61 28.243 -11.512 -8.101 1.00 22.91 N ATOM 144 CA GLU A 61 29.615 -11.352 -7.635 1.00 22.43 C ATOM 145 C GLU A 61 29.939 -9.878 -7.412 1.00 20.48 C ATOM 146 O GLU A 61 30.609 -9.518 -6.445 1.00 20.17 O ATOM 147 CB GLU A 61 30.595 -11.956 -8.641 1.00 23.36 C ATOM 148 CG GLU A 61 31.920 -12.371 -8.025 1.00 24.58 C ATOM 149 CD GLU A 61 32.063 -13.876 -7.905 1.00 26.14 C ATOM 150 OE1 GLU A 61 31.079 -14.535 -7.508 1.00 26.22 O ATOM 151 OE2 GLU A 61 33.158 -14.394 -8.208 1.00 27.48 O ATOM 0 H GLU A 61 28.158 -11.937 -9.024 1.00 22.91 H new ATOM 0 HA GLU A 61 29.715 -11.879 -6.686 1.00 22.43 H new ATOM 0 HB2 GLU A 61 30.133 -12.826 -9.108 1.00 23.36 H new ATOM 0 HB3 GLU A 61 30.783 -11.231 -9.433 1.00 23.36 H new ATOM 0 HG2 GLU A 61 32.737 -11.980 -8.632 1.00 24.58 H new ATOM 0 HG3 GLU A 61 32.013 -11.921 -7.037 1.00 24.58 H new ATOM 158 N GLN A 62 29.453 -9.032 -8.313 1.00 19.60 N ATOM 159 CA GLN A 62 29.684 -7.596 -8.214 1.00 18.12 C ATOM 160 C GLN A 62 29.132 -7.051 -6.902 1.00 17.10 C ATOM 161 O GLN A 62 29.871 -6.504 -6.084 1.00 17.46 O ATOM 162 CB GLN A 62 29.036 -6.869 -9.394 1.00 16.28 C ATOM 163 CG GLN A 62 29.577 -7.301 -10.746 1.00 16.96 C ATOM 164 CD GLN A 62 31.092 -7.374 -10.771 1.00 16.94 C ATOM 165 OE1 GLN A 62 31.777 -6.366 -10.597 1.00 16.14 O ATOM 166 NE2 GLN A 62 31.621 -8.571 -10.992 1.00 18.11 N ATOM 0 H GLN A 62 28.897 -9.315 -9.120 1.00 19.60 H new ATOM 0 HA GLN A 62 30.760 -7.422 -8.239 1.00 18.12 H new ATOM 0 HB2 GLN A 62 27.960 -7.042 -9.370 1.00 16.28 H new ATOM 0 HB3 GLN A 62 29.189 -5.796 -9.277 1.00 16.28 H new ATOM 0 HG2 GLN A 62 29.165 -8.277 -11.003 1.00 16.96 H new ATOM 0 HG3 GLN A 62 29.238 -6.601 -11.510 1.00 16.96 H new ATOM 0 HE21 GLN A 62 31.014 -9.379 -11.131 1.00 18.11 H new ATOM 0 HE22 GLN A 62 32.634 -8.683 -11.023 1.00 18.11 H new ATOM 175 N SER A 63 27.827 -7.210 -6.705 1.00 16.14 N ATOM 176 CA SER A 63 27.176 -6.739 -5.489 1.00 15.14 C ATOM 177 C SER A 63 27.805 -7.385 -4.261 1.00 14.04 C ATOM 178 O SER A 63 27.838 -6.793 -3.182 1.00 12.98 O ATOM 179 CB SER A 63 25.678 -7.046 -5.532 1.00 14.98 C ATOM 180 OG SER A 63 25.417 -8.370 -5.100 1.00 14.27 O ATOM 0 H SER A 63 27.201 -7.661 -7.372 1.00 16.14 H new ATOM 0 HA SER A 63 27.312 -5.659 -5.425 1.00 15.14 H new ATOM 0 HB2 SER A 63 25.141 -6.341 -4.898 1.00 14.98 H new ATOM 0 HB3 SER A 63 25.305 -6.911 -6.547 1.00 14.98 H new ATOM 0 HG SER A 63 26.051 -8.984 -5.526 1.00 14.27 H new ATOM 186 N GLU A 64 28.307 -8.603 -4.435 1.00 14.35 N ATOM 187 CA GLU A 64 28.941 -9.330 -3.342 1.00 13.47 C ATOM 188 C GLU A 64 30.128 -8.546 -2.796 1.00 12.92 C ATOM 189 O GLU A 64 30.195 -8.251 -1.603 1.00 11.85 O ATOM 190 CB GLU A 64 29.399 -10.710 -3.817 1.00 14.09 C ATOM 191 CG GLU A 64 28.857 -11.854 -2.977 1.00 14.54 C ATOM 192 CD GLU A 64 28.690 -13.133 -3.774 1.00 16.13 C ATOM 193 OE1 GLU A 64 29.689 -13.862 -3.946 1.00 18.60 O ATOM 194 OE2 GLU A 64 27.558 -13.407 -4.227 1.00 14.94 O ATOM 0 H GLU A 64 28.287 -9.107 -5.322 1.00 14.35 H new ATOM 0 HA GLU A 64 28.209 -9.456 -2.544 1.00 13.47 H new ATOM 0 HB2 GLU A 64 29.087 -10.851 -4.852 1.00 14.09 H new ATOM 0 HB3 GLU A 64 30.488 -10.746 -3.805 1.00 14.09 H new ATOM 0 HG2 GLU A 64 29.531 -12.037 -2.140 1.00 14.54 H new ATOM 0 HG3 GLU A 64 27.895 -11.565 -2.554 1.00 14.54 H new ATOM 201 N LEU A 65 31.060 -8.205 -3.680 1.00 13.96 N ATOM 202 CA LEU A 65 32.240 -7.446 -3.287 1.00 13.54 C ATOM 203 C LEU A 65 31.833 -6.164 -2.570 1.00 12.16 C ATOM 204 O LEU A 65 32.448 -5.772 -1.578 1.00 13.26 O ATOM 205 CB LEU A 65 33.094 -7.114 -4.513 1.00 13.41 C ATOM 206 CG LEU A 65 33.560 -8.325 -5.323 1.00 14.99 C ATOM 207 CD1 LEU A 65 33.750 -7.948 -6.784 1.00 16.02 C ATOM 208 CD2 LEU A 65 34.848 -8.890 -4.744 1.00 17.18 C ATOM 0 H LEU A 65 31.021 -8.442 -4.671 1.00 13.96 H new ATOM 0 HA LEU A 65 32.830 -8.057 -2.604 1.00 13.54 H new ATOM 0 HB2 LEU A 65 32.523 -6.456 -5.168 1.00 13.41 H new ATOM 0 HB3 LEU A 65 33.971 -6.555 -4.186 1.00 13.41 H new ATOM 0 HG LEU A 65 32.791 -9.095 -5.265 1.00 14.99 H new ATOM 0 HD11 LEU A 65 34.082 -8.822 -7.345 1.00 16.02 H new ATOM 0 HD12 LEU A 65 32.805 -7.591 -7.194 1.00 16.02 H new ATOM 0 HD13 LEU A 65 34.500 -7.161 -6.862 1.00 16.02 H new ATOM 0 HD21 LEU A 65 35.165 -9.751 -5.333 1.00 17.18 H new ATOM 0 HD22 LEU A 65 35.625 -8.126 -4.771 1.00 17.18 H new ATOM 0 HD23 LEU A 65 34.679 -9.199 -3.712 1.00 17.18 H new ATOM 220 N VAL A 66 30.787 -5.520 -3.076 1.00 9.99 N ATOM 221 CA VAL A 66 30.290 -4.288 -2.480 1.00 8.80 C ATOM 222 C VAL A 66 29.756 -4.543 -1.078 1.00 8.57 C ATOM 223 O VAL A 66 30.124 -3.855 -0.126 1.00 9.76 O ATOM 224 CB VAL A 66 29.174 -3.658 -3.336 1.00 8.84 C ATOM 225 CG1 VAL A 66 28.706 -2.347 -2.725 1.00 8.39 C ATOM 226 CG2 VAL A 66 29.650 -3.449 -4.766 1.00 9.39 C ATOM 0 H VAL A 66 30.268 -5.831 -3.897 1.00 9.99 H new ATOM 0 HA VAL A 66 31.130 -3.595 -2.430 1.00 8.80 H new ATOM 0 HB VAL A 66 28.327 -4.344 -3.356 1.00 8.84 H new ATOM 0 HG11 VAL A 66 27.918 -1.918 -3.344 1.00 8.39 H new ATOM 0 HG12 VAL A 66 28.320 -2.530 -1.722 1.00 8.39 H new ATOM 0 HG13 VAL A 66 29.544 -1.652 -2.670 1.00 8.39 H new ATOM 0 HG21 VAL A 66 28.848 -3.003 -5.355 1.00 9.39 H new ATOM 0 HG22 VAL A 66 30.514 -2.785 -4.768 1.00 9.39 H new ATOM 0 HG23 VAL A 66 29.929 -4.409 -5.201 1.00 9.39 H new ATOM 236 N LYS A 67 28.889 -5.544 -0.957 1.00 7.69 N ATOM 237 CA LYS A 67 28.307 -5.899 0.330 1.00 8.65 C ATOM 238 C LYS A 67 29.400 -6.267 1.328 1.00 10.07 C ATOM 239 O LYS A 67 29.402 -5.795 2.465 1.00 11.10 O ATOM 240 CB LYS A 67 27.333 -7.067 0.167 1.00 10.60 C ATOM 241 CG LYS A 67 26.764 -7.575 1.482 1.00 11.47 C ATOM 242 CD LYS A 67 26.249 -9.000 1.353 1.00 13.63 C ATOM 243 CE LYS A 67 25.451 -9.416 2.578 1.00 15.82 C ATOM 244 NZ LYS A 67 25.629 -10.861 2.893 1.00 17.96 N ATOM 0 H LYS A 67 28.575 -6.123 -1.736 1.00 7.69 H new ATOM 0 HA LYS A 67 27.763 -5.035 0.711 1.00 8.65 H new ATOM 0 HB2 LYS A 67 26.511 -6.756 -0.479 1.00 10.60 H new ATOM 0 HB3 LYS A 67 27.843 -7.887 -0.339 1.00 10.60 H new ATOM 0 HG2 LYS A 67 27.534 -7.534 2.253 1.00 11.47 H new ATOM 0 HG3 LYS A 67 25.953 -6.922 1.805 1.00 11.47 H new ATOM 0 HD2 LYS A 67 25.623 -9.083 0.464 1.00 13.63 H new ATOM 0 HD3 LYS A 67 27.089 -9.681 1.216 1.00 13.63 H new ATOM 0 HE2 LYS A 67 25.762 -8.817 3.434 1.00 15.82 H new ATOM 0 HE3 LYS A 67 24.394 -9.209 2.410 1.00 15.82 H new ATOM 0 HZ1 LYS A 67 25.069 -11.104 3.735 1.00 17.96 H new ATOM 0 HZ2 LYS A 67 25.309 -11.434 2.086 1.00 17.96 H new ATOM 0 HZ3 LYS A 67 26.634 -11.055 3.078 1.00 17.96 H new ATOM 258 N LYS A 68 30.331 -7.109 0.891 1.00 10.29 N ATOM 259 CA LYS A 68 31.432 -7.535 1.743 1.00 11.73 C ATOM 260 C LYS A 68 32.240 -6.332 2.219 1.00 10.08 C ATOM 261 O LYS A 68 32.695 -6.291 3.361 1.00 10.47 O ATOM 262 CB LYS A 68 32.340 -8.511 0.993 1.00 14.19 C ATOM 263 CG LYS A 68 33.524 -8.994 1.813 1.00 15.85 C ATOM 264 CD LYS A 68 34.178 -10.213 1.184 1.00 17.62 C ATOM 265 CE LYS A 68 35.447 -9.839 0.436 1.00 19.15 C ATOM 266 NZ LYS A 68 36.199 -11.042 -0.018 1.00 21.67 N ATOM 0 H LYS A 68 30.344 -7.509 -0.047 1.00 10.29 H new ATOM 0 HA LYS A 68 31.013 -8.040 2.613 1.00 11.73 H new ATOM 0 HB2 LYS A 68 31.751 -9.373 0.678 1.00 14.19 H new ATOM 0 HB3 LYS A 68 32.709 -8.029 0.088 1.00 14.19 H new ATOM 0 HG2 LYS A 68 34.257 -8.192 1.902 1.00 15.85 H new ATOM 0 HG3 LYS A 68 33.193 -9.238 2.823 1.00 15.85 H new ATOM 0 HD2 LYS A 68 34.413 -10.942 1.959 1.00 17.62 H new ATOM 0 HD3 LYS A 68 33.478 -10.690 0.499 1.00 17.62 H new ATOM 0 HE2 LYS A 68 35.192 -9.223 -0.427 1.00 19.15 H new ATOM 0 HE3 LYS A 68 36.084 -9.235 1.082 1.00 19.15 H new ATOM 0 HZ1 LYS A 68 37.058 -10.744 -0.524 1.00 21.67 H new ATOM 0 HZ2 LYS A 68 36.465 -11.617 0.807 1.00 21.67 H new ATOM 0 HZ3 LYS A 68 35.600 -11.606 -0.655 1.00 21.67 H new ATOM 280 N MET A 69 32.407 -5.353 1.335 1.00 8.46 N ATOM 281 CA MET A 69 33.153 -4.146 1.668 1.00 7.13 C ATOM 282 C MET A 69 32.443 -3.366 2.769 1.00 4.86 C ATOM 283 O MET A 69 33.081 -2.807 3.661 1.00 4.63 O ATOM 284 CB MET A 69 33.320 -3.270 0.425 1.00 6.89 C ATOM 285 CG MET A 69 34.024 -1.952 0.697 1.00 5.95 C ATOM 286 SD MET A 69 34.320 -1.002 -0.806 1.00 7.58 S ATOM 287 CE MET A 69 32.712 -1.096 -1.590 1.00 8.42 C ATOM 0 H MET A 69 32.036 -5.372 0.385 1.00 8.46 H new ATOM 0 HA MET A 69 34.139 -4.437 2.030 1.00 7.13 H new ATOM 0 HB2 MET A 69 33.883 -3.824 -0.326 1.00 6.89 H new ATOM 0 HB3 MET A 69 32.337 -3.066 0.000 1.00 6.89 H new ATOM 0 HG2 MET A 69 33.423 -1.358 1.385 1.00 5.95 H new ATOM 0 HG3 MET A 69 34.975 -2.148 1.192 1.00 5.95 H new ATOM 0 HE1 MET A 69 32.477 -0.138 -2.054 1.00 8.42 H new ATOM 0 HE2 MET A 69 32.724 -1.875 -2.352 1.00 8.42 H new ATOM 0 HE3 MET A 69 31.956 -1.332 -0.842 1.00 8.42 H new ATOM 297 N VAL A 70 31.115 -3.337 2.698 1.00 4.33 N ATOM 298 CA VAL A 70 30.310 -2.633 3.686 1.00 3.46 C ATOM 299 C VAL A 70 30.262 -3.404 5.000 1.00 5.36 C ATOM 300 O VAL A 70 30.344 -2.816 6.077 1.00 5.99 O ATOM 301 CB VAL A 70 28.873 -2.397 3.170 1.00 3.77 C ATOM 302 CG1 VAL A 70 27.987 -1.795 4.254 1.00 3.26 C ATOM 303 CG2 VAL A 70 28.898 -1.501 1.944 1.00 3.68 C ATOM 0 H VAL A 70 30.575 -3.795 1.964 1.00 4.33 H new ATOM 0 HA VAL A 70 30.782 -1.666 3.860 1.00 3.46 H new ATOM 0 HB VAL A 70 28.449 -3.363 2.894 1.00 3.77 H new ATOM 0 HG11 VAL A 70 26.983 -1.641 3.859 1.00 3.26 H new ATOM 0 HG12 VAL A 70 27.942 -2.474 5.106 1.00 3.26 H new ATOM 0 HG13 VAL A 70 28.402 -0.839 4.573 1.00 3.26 H new ATOM 0 HG21 VAL A 70 27.880 -1.342 1.589 1.00 3.68 H new ATOM 0 HG22 VAL A 70 29.346 -0.542 2.203 1.00 3.68 H new ATOM 0 HG23 VAL A 70 29.486 -1.976 1.158 1.00 3.68 H new ATOM 313 N PHE A 71 30.131 -4.724 4.908 1.00 7.11 N ATOM 314 CA PHE A 71 30.075 -5.561 6.099 1.00 9.47 C ATOM 315 C PHE A 71 31.251 -5.261 7.022 1.00 9.24 C ATOM 316 O PHE A 71 31.067 -4.787 8.140 1.00 10.45 O ATOM 317 CB PHE A 71 30.074 -7.044 5.723 1.00 11.72 C ATOM 318 CG PHE A 71 30.146 -7.952 6.917 1.00 13.22 C ATOM 319 CD1 PHE A 71 29.337 -7.716 8.036 1.00 14.75 C ATOM 320 CD2 PHE A 71 31.027 -9.041 6.936 1.00 13.45 C ATOM 321 CE1 PHE A 71 29.405 -8.548 9.156 1.00 16.31 C ATOM 322 CE2 PHE A 71 31.100 -9.880 8.052 1.00 15.15 C ATOM 323 CZ PHE A 71 30.288 -9.632 9.164 1.00 16.49 C ATOM 0 H PHE A 71 30.062 -5.233 4.027 1.00 7.11 H new ATOM 0 HA PHE A 71 29.147 -5.334 6.624 1.00 9.47 H new ATOM 0 HB2 PHE A 71 29.170 -7.269 5.156 1.00 11.72 H new ATOM 0 HB3 PHE A 71 30.920 -7.247 5.067 1.00 11.72 H new ATOM 0 HD1 PHE A 71 28.652 -6.881 8.033 1.00 14.75 H new ATOM 0 HD2 PHE A 71 31.656 -9.234 6.080 1.00 13.45 H new ATOM 0 HE1 PHE A 71 28.777 -8.354 10.013 1.00 16.31 H new ATOM 0 HE2 PHE A 71 31.782 -10.718 8.056 1.00 15.15 H new ATOM 0 HZ PHE A 71 30.343 -10.278 10.028 1.00 16.49 H new ATOM 333 N ASP A 72 32.461 -5.538 6.546 1.00 8.16 N ATOM 334 CA ASP A 72 33.663 -5.291 7.335 1.00 7.97 C ATOM 335 C ASP A 72 33.668 -3.865 7.873 1.00 7.06 C ATOM 336 O ASP A 72 34.038 -3.624 9.023 1.00 7.01 O ATOM 337 CB ASP A 72 34.914 -5.537 6.489 1.00 6.85 C ATOM 338 CG ASP A 72 35.308 -7.000 6.452 1.00 9.07 C ATOM 339 OD1 ASP A 72 35.855 -7.493 7.461 1.00 9.61 O ATOM 340 OD2 ASP A 72 35.071 -7.653 5.415 1.00 10.49 O ATOM 0 H ASP A 72 32.635 -5.932 5.621 1.00 8.16 H new ATOM 0 HA ASP A 72 33.666 -5.981 8.179 1.00 7.97 H new ATOM 0 HB2 ASP A 72 34.737 -5.185 5.473 1.00 6.85 H new ATOM 0 HB3 ASP A 72 35.741 -4.951 6.889 1.00 6.85 H new ATOM 345 N THR A 73 33.247 -2.923 7.035 1.00 7.40 N ATOM 346 CA THR A 73 33.194 -1.521 7.426 1.00 8.15 C ATOM 347 C THR A 73 32.162 -1.318 8.531 1.00 11.17 C ATOM 348 O THR A 73 32.513 -1.064 9.683 1.00 12.55 O ATOM 349 CB THR A 73 32.854 -0.646 6.213 1.00 7.31 C ATOM 350 OG1 THR A 73 33.933 -0.621 5.297 1.00 7.33 O ATOM 351 CG2 THR A 73 32.523 0.792 6.569 1.00 8.19 C ATOM 0 H THR A 73 32.938 -3.106 6.081 1.00 7.40 H new ATOM 0 HA THR A 73 34.172 -1.227 7.806 1.00 8.15 H new ATOM 0 HB THR A 73 31.967 -1.103 5.775 1.00 7.31 H new ATOM 0 HG1 THR A 73 33.798 -1.310 4.613 1.00 7.33 H new ATOM 0 HG21 THR A 73 32.294 1.348 5.660 1.00 8.19 H new ATOM 0 HG22 THR A 73 31.660 0.813 7.235 1.00 8.19 H new ATOM 0 HG23 THR A 73 33.377 1.249 7.068 1.00 8.19 H new ATOM 359 N LEU A 74 30.888 -1.431 8.169 1.00 12.38 N ATOM 360 CA LEU A 74 29.804 -1.260 9.130 1.00 15.28 C ATOM 361 C LEU A 74 30.017 -2.139 10.359 1.00 16.85 C ATOM 362 O LEU A 74 29.679 -1.751 11.477 1.00 19.16 O ATOM 363 CB LEU A 74 28.462 -1.586 8.474 1.00 16.05 C ATOM 364 CG LEU A 74 28.044 -0.629 7.354 1.00 16.02 C ATOM 365 CD1 LEU A 74 26.575 -0.815 7.018 1.00 18.25 C ATOM 366 CD2 LEU A 74 28.326 0.813 7.751 1.00 16.10 C ATOM 0 H LEU A 74 30.581 -1.640 7.219 1.00 12.38 H new ATOM 0 HA LEU A 74 29.798 -0.219 9.454 1.00 15.28 H new ATOM 0 HB2 LEU A 74 28.507 -2.597 8.070 1.00 16.05 H new ATOM 0 HB3 LEU A 74 27.688 -1.584 9.242 1.00 16.05 H new ATOM 0 HG LEU A 74 28.631 -0.860 6.465 1.00 16.02 H new ATOM 0 HD11 LEU A 74 26.294 -0.127 6.220 1.00 18.25 H new ATOM 0 HD12 LEU A 74 26.404 -1.840 6.690 1.00 18.25 H new ATOM 0 HD13 LEU A 74 25.971 -0.611 7.902 1.00 18.25 H new ATOM 0 HD21 LEU A 74 28.023 1.479 6.943 1.00 16.10 H new ATOM 0 HD22 LEU A 74 27.766 1.058 8.653 1.00 16.10 H new ATOM 0 HD23 LEU A 74 29.392 0.936 7.942 1.00 16.10 H new ATOM 378 N LYS A 75 30.588 -3.317 10.146 1.00 15.94 N ATOM 379 CA LYS A 75 30.856 -4.245 11.239 1.00 17.84 C ATOM 380 C LYS A 75 31.697 -3.564 12.309 1.00 17.76 C ATOM 381 O LYS A 75 31.252 -3.371 13.441 1.00 19.67 O ATOM 382 CB LYS A 75 31.582 -5.487 10.719 1.00 17.70 C ATOM 383 CG LYS A 75 31.892 -6.511 11.798 1.00 17.79 C ATOM 384 CD LYS A 75 31.752 -7.931 11.273 1.00 18.55 C ATOM 385 CE LYS A 75 32.966 -8.777 11.618 1.00 20.50 C ATOM 386 NZ LYS A 75 32.855 -9.378 12.975 1.00 22.38 N ATOM 0 H LYS A 75 30.875 -3.654 9.227 1.00 15.94 H new ATOM 0 HA LYS A 75 29.905 -4.551 11.674 1.00 17.84 H new ATOM 0 HB2 LYS A 75 30.971 -5.958 9.949 1.00 17.70 H new ATOM 0 HB3 LYS A 75 32.514 -5.180 10.244 1.00 17.70 H new ATOM 0 HG2 LYS A 75 32.906 -6.357 12.168 1.00 17.79 H new ATOM 0 HG3 LYS A 75 31.219 -6.366 12.643 1.00 17.79 H new ATOM 0 HD2 LYS A 75 30.857 -8.389 11.695 1.00 18.55 H new ATOM 0 HD3 LYS A 75 31.619 -7.908 10.191 1.00 18.55 H new ATOM 0 HE2 LYS A 75 33.079 -9.569 10.878 1.00 20.50 H new ATOM 0 HE3 LYS A 75 33.864 -8.162 11.566 1.00 20.50 H new ATOM 0 HZ1 LYS A 75 33.702 -9.948 13.173 1.00 22.38 H new ATOM 0 HZ2 LYS A 75 32.773 -8.622 13.684 1.00 22.38 H new ATOM 0 HZ3 LYS A 75 32.012 -9.985 13.018 1.00 22.38 H new ATOM 400 N ASP A 76 32.916 -3.197 11.935 1.00 15.55 N ATOM 401 CA ASP A 76 33.831 -2.529 12.849 1.00 15.23 C ATOM 402 C ASP A 76 33.313 -1.140 13.215 1.00 15.76 C ATOM 403 O ASP A 76 33.482 -0.682 14.345 1.00 16.75 O ATOM 404 CB ASP A 76 35.222 -2.419 12.223 1.00 12.60 C ATOM 405 CG ASP A 76 36.330 -2.518 13.253 1.00 12.02 C ATOM 406 OD1 ASP A 76 36.033 -2.387 14.459 1.00 13.42 O ATOM 407 OD2 ASP A 76 37.494 -2.727 12.854 1.00 10.38 O ATOM 0 H ASP A 76 33.294 -3.352 11.001 1.00 15.55 H new ATOM 0 HA ASP A 76 33.898 -3.125 13.759 1.00 15.23 H new ATOM 0 HB2 ASP A 76 35.347 -3.209 11.482 1.00 12.60 H new ATOM 0 HB3 ASP A 76 35.305 -1.469 11.694 1.00 12.60 H new ATOM 412 N LEU A 77 32.682 -0.475 12.251 1.00 15.44 N ATOM 413 CA LEU A 77 32.140 0.861 12.471 1.00 16.63 C ATOM 414 C LEU A 77 31.077 0.839 13.568 1.00 19.16 C ATOM 415 O LEU A 77 31.210 1.520 14.584 1.00 20.08 O ATOM 416 CB LEU A 77 31.557 1.410 11.162 1.00 17.08 C ATOM 417 CG LEU A 77 30.565 2.570 11.305 1.00 19.11 C ATOM 418 CD1 LEU A 77 31.040 3.560 12.357 1.00 19.12 C ATOM 419 CD2 LEU A 77 30.366 3.266 9.967 1.00 19.85 C ATOM 0 H LEU A 77 32.534 -0.840 11.310 1.00 15.44 H new ATOM 0 HA LEU A 77 32.947 1.517 12.798 1.00 16.63 H new ATOM 0 HB2 LEU A 77 32.382 1.739 10.529 1.00 17.08 H new ATOM 0 HB3 LEU A 77 31.059 0.594 10.638 1.00 17.08 H new ATOM 0 HG LEU A 77 29.607 2.163 11.630 1.00 19.11 H new ATOM 0 HD11 LEU A 77 30.321 4.375 12.441 1.00 19.12 H new ATOM 0 HD12 LEU A 77 31.130 3.054 13.318 1.00 19.12 H new ATOM 0 HD13 LEU A 77 32.011 3.962 12.066 1.00 19.12 H new ATOM 0 HD21 LEU A 77 29.659 4.087 10.086 1.00 19.85 H new ATOM 0 HD22 LEU A 77 31.321 3.657 9.615 1.00 19.85 H new ATOM 0 HD23 LEU A 77 29.976 2.553 9.241 1.00 19.85 H new ATOM 431 N TYR A 78 30.029 0.051 13.356 1.00 20.42 N ATOM 432 CA TYR A 78 28.951 -0.060 14.332 1.00 22.99 C ATOM 433 C TYR A 78 29.483 -0.571 15.665 1.00 24.63 C ATOM 434 O TYR A 78 28.938 -0.259 16.723 1.00 26.73 O ATOM 435 CB TYR A 78 27.853 -0.994 13.811 1.00 23.32 C ATOM 436 CG TYR A 78 27.120 -0.471 12.593 1.00 23.67 C ATOM 437 CD1 TYR A 78 27.171 0.891 12.240 1.00 24.36 C ATOM 438 CD2 TYR A 78 26.366 -1.339 11.783 1.00 23.54 C ATOM 439 CE1 TYR A 78 26.493 1.370 11.116 1.00 24.73 C ATOM 440 CE2 TYR A 78 25.686 -0.866 10.658 1.00 24.12 C ATOM 441 CZ TYR A 78 25.753 0.488 10.329 1.00 24.63 C ATOM 442 OH TYR A 78 25.085 0.957 9.221 1.00 25.23 O ATOM 0 H TYR A 78 29.903 -0.519 12.520 1.00 20.42 H new ATOM 0 HA TYR A 78 28.526 0.932 14.485 1.00 22.99 H new ATOM 0 HB2 TYR A 78 28.298 -1.959 13.567 1.00 23.32 H new ATOM 0 HB3 TYR A 78 27.131 -1.168 14.609 1.00 23.32 H new ATOM 0 HD1 TYR A 78 27.743 1.576 12.848 1.00 24.36 H new ATOM 0 HD2 TYR A 78 26.312 -2.388 12.035 1.00 23.54 H new ATOM 0 HE1 TYR A 78 26.542 2.418 10.858 1.00 24.73 H new ATOM 0 HE2 TYR A 78 25.111 -1.545 10.046 1.00 24.12 H new ATOM 0 HH TYR A 78 24.179 1.231 9.477 1.00 25.23 H new ATOM 452 N LYS A 79 30.553 -1.357 15.607 1.00 23.73 N ATOM 453 CA LYS A 79 31.162 -1.907 16.811 1.00 25.14 C ATOM 454 C LYS A 79 31.805 -0.801 17.641 1.00 26.60 C ATOM 455 O LYS A 79 31.905 -0.906 18.864 1.00 28.08 O ATOM 456 CB LYS A 79 32.208 -2.963 16.446 1.00 24.08 C ATOM 457 CG LYS A 79 31.712 -4.391 16.601 1.00 23.83 C ATOM 458 CD LYS A 79 32.860 -5.359 16.831 1.00 24.11 C ATOM 459 CE LYS A 79 32.355 -6.742 17.211 1.00 24.87 C ATOM 460 NZ LYS A 79 33.472 -7.708 17.408 1.00 25.42 N ATOM 0 H LYS A 79 31.016 -1.627 14.739 1.00 23.73 H new ATOM 0 HA LYS A 79 30.378 -2.378 17.405 1.00 25.14 H new ATOM 0 HB2 LYS A 79 32.524 -2.807 15.415 1.00 24.08 H new ATOM 0 HB3 LYS A 79 33.088 -2.823 17.074 1.00 24.08 H new ATOM 0 HG2 LYS A 79 31.015 -4.446 17.438 1.00 23.83 H new ATOM 0 HG3 LYS A 79 31.161 -4.685 15.708 1.00 23.83 H new ATOM 0 HD2 LYS A 79 33.466 -5.427 15.928 1.00 24.11 H new ATOM 0 HD3 LYS A 79 33.507 -4.977 17.621 1.00 24.11 H new ATOM 0 HE2 LYS A 79 31.768 -6.675 18.127 1.00 24.87 H new ATOM 0 HE3 LYS A 79 31.689 -7.112 16.432 1.00 24.87 H new ATOM 0 HZ1 LYS A 79 33.085 -8.638 17.666 1.00 25.42 H new ATOM 0 HZ2 LYS A 79 34.018 -7.792 16.527 1.00 25.42 H new ATOM 0 HZ3 LYS A 79 34.094 -7.369 18.169 1.00 25.42 H new ATOM 474 N LYS A 80 32.239 0.260 16.967 1.00 26.30 N ATOM 475 CA LYS A 80 32.872 1.388 17.640 1.00 27.60 C ATOM 476 C LYS A 80 31.884 2.098 18.558 1.00 29.81 C ATOM 477 O LYS A 80 32.196 2.402 19.709 1.00 31.57 O ATOM 478 CB LYS A 80 33.429 2.373 16.611 1.00 26.29 C ATOM 479 CG LYS A 80 34.747 3.005 17.026 1.00 24.22 C ATOM 480 CD LYS A 80 35.001 4.304 16.280 1.00 22.85 C ATOM 481 CE LYS A 80 36.125 5.102 16.919 1.00 21.89 C ATOM 482 NZ LYS A 80 37.019 5.718 15.900 1.00 21.47 N ATOM 0 H LYS A 80 32.164 0.362 15.955 1.00 26.30 H new ATOM 0 HA LYS A 80 33.692 1.004 18.247 1.00 27.60 H new ATOM 0 HB2 LYS A 80 33.567 1.855 15.662 1.00 26.29 H new ATOM 0 HB3 LYS A 80 32.695 3.161 16.440 1.00 26.29 H new ATOM 0 HG2 LYS A 80 34.738 3.196 18.099 1.00 24.22 H new ATOM 0 HG3 LYS A 80 35.563 2.308 16.833 1.00 24.22 H new ATOM 0 HD2 LYS A 80 35.253 4.086 15.242 1.00 22.85 H new ATOM 0 HD3 LYS A 80 34.090 4.902 16.268 1.00 22.85 H new ATOM 0 HE2 LYS A 80 35.702 5.883 17.550 1.00 21.89 H new ATOM 0 HE3 LYS A 80 36.710 4.450 17.568 1.00 21.89 H new ATOM 0 HZ1 LYS A 80 37.772 6.253 16.377 1.00 21.47 H new ATOM 0 HZ2 LYS A 80 37.443 4.971 15.314 1.00 21.47 H new ATOM 0 HZ3 LYS A 80 36.467 6.360 15.297 1.00 21.47 H new ATOM 496 N THR A 81 30.691 2.360 18.038 1.00 29.87 N ATOM 497 CA THR A 81 29.652 3.036 18.807 1.00 32.07 C ATOM 498 C THR A 81 29.447 2.362 20.158 1.00 34.41 C ATOM 499 O THR A 81 29.927 2.845 21.184 1.00 35.00 O ATOM 500 CB THR A 81 28.338 3.049 18.025 1.00 32.26 C ATOM 501 OG1 THR A 81 27.902 1.729 17.755 1.00 31.51 O ATOM 502 CG2 THR A 81 28.436 3.780 16.702 1.00 30.92 C ATOM 0 H THR A 81 30.418 2.115 17.086 1.00 29.87 H new ATOM 0 HA THR A 81 29.974 4.063 18.981 1.00 32.07 H new ATOM 0 HB THR A 81 27.628 3.577 18.662 1.00 32.26 H new ATOM 0 HG1 THR A 81 28.460 1.338 17.051 1.00 31.51 H new ATOM 0 HG21 THR A 81 27.470 3.752 16.198 1.00 30.92 H new ATOM 0 HG22 THR A 81 28.723 4.817 16.879 1.00 30.92 H new ATOM 0 HG23 THR A 81 29.186 3.298 16.075 1.00 30.92 H new ATOM 566 N ASP B 54 24.439 -5.871 18.784 1.00 32.80 N ATOM 567 CA ASP B 54 23.538 -5.390 17.743 1.00 29.96 C ATOM 568 C ASP B 54 24.324 -4.847 16.554 1.00 29.39 C ATOM 569 O ASP B 54 23.824 -4.819 15.429 1.00 28.34 O ATOM 570 CB ASP B 54 22.615 -4.304 18.300 1.00 29.02 C ATOM 571 CG ASP B 54 21.350 -4.877 18.909 1.00 27.02 C ATOM 572 OD1 ASP B 54 20.821 -5.865 18.358 1.00 26.14 O ATOM 573 OD2 ASP B 54 20.888 -4.337 19.936 1.00 26.50 O ATOM 0 HA ASP B 54 22.933 -6.230 17.402 1.00 29.96 H new ATOM 0 HB2 ASP B 54 23.150 -3.728 19.055 1.00 29.02 H new ATOM 0 HB3 ASP B 54 22.349 -3.612 17.501 1.00 29.02 H new ATOM 578 N ALA B 55 25.555 -4.417 16.810 1.00 30.18 N ATOM 579 CA ALA B 55 26.410 -3.876 15.761 1.00 29.81 C ATOM 580 C ALA B 55 26.582 -4.876 14.621 1.00 27.97 C ATOM 581 O ALA B 55 26.487 -4.515 13.448 1.00 26.44 O ATOM 582 CB ALA B 55 27.765 -3.489 16.333 1.00 32.16 C ATOM 0 H ALA B 55 25.983 -4.433 17.736 1.00 30.18 H new ATOM 0 HA ALA B 55 25.929 -2.985 15.358 1.00 29.81 H new ATOM 0 HB1 ALA B 55 28.394 -3.086 15.539 1.00 32.16 H new ATOM 0 HB2 ALA B 55 27.631 -2.734 17.108 1.00 32.16 H new ATOM 0 HB3 ALA B 55 28.243 -4.369 16.763 1.00 32.16 H new ATOM 588 N GLU B 56 26.835 -6.132 14.975 1.00 28.31 N ATOM 589 CA GLU B 56 27.021 -7.182 13.981 1.00 26.92 C ATOM 590 C GLU B 56 25.765 -7.358 13.135 1.00 24.46 C ATOM 591 O GLU B 56 25.835 -7.422 11.907 1.00 24.39 O ATOM 592 CB GLU B 56 27.378 -8.504 14.663 1.00 28.25 C ATOM 593 CG GLU B 56 28.246 -9.414 13.809 1.00 29.71 C ATOM 594 CD GLU B 56 27.460 -10.547 13.179 1.00 28.62 C ATOM 595 OE1 GLU B 56 26.856 -11.340 13.930 1.00 28.67 O ATOM 596 OE2 GLU B 56 27.449 -10.640 11.933 1.00 27.86 O ATOM 0 H GLU B 56 26.916 -6.447 15.942 1.00 28.31 H new ATOM 0 HA GLU B 56 27.841 -6.886 13.327 1.00 26.92 H new ATOM 0 HB2 GLU B 56 27.898 -8.292 15.598 1.00 28.25 H new ATOM 0 HB3 GLU B 56 26.459 -9.030 14.921 1.00 28.25 H new ATOM 0 HG2 GLU B 56 28.720 -8.825 13.024 1.00 29.71 H new ATOM 0 HG3 GLU B 56 29.045 -9.829 14.423 1.00 29.71 H new ATOM 603 N ARG B 57 24.616 -7.434 13.800 1.00 22.63 N ATOM 604 CA ARG B 57 23.344 -7.601 13.108 1.00 20.20 C ATOM 605 C ARG B 57 23.097 -6.448 12.142 1.00 18.32 C ATOM 606 O ARG B 57 22.612 -6.649 11.029 1.00 17.48 O ATOM 607 CB ARG B 57 22.197 -7.691 14.117 1.00 19.07 C ATOM 608 CG ARG B 57 21.975 -9.091 14.665 1.00 20.20 C ATOM 609 CD ARG B 57 20.967 -9.862 13.828 1.00 18.51 C ATOM 610 NE ARG B 57 19.629 -9.284 13.912 1.00 18.56 N ATOM 611 CZ ARG B 57 18.610 -9.673 13.152 1.00 17.88 C ATOM 612 NH1 ARG B 57 18.779 -10.636 12.257 1.00 17.10 N ATOM 613 NH2 ARG B 57 17.423 -9.099 13.286 1.00 18.23 N ATOM 0 H ARG B 57 24.540 -7.383 14.816 1.00 22.63 H new ATOM 0 HA ARG B 57 23.388 -8.528 12.537 1.00 20.20 H new ATOM 0 HB2 ARG B 57 22.400 -7.014 14.946 1.00 19.07 H new ATOM 0 HB3 ARG B 57 21.279 -7.346 13.642 1.00 19.07 H new ATOM 0 HG2 ARG B 57 22.922 -9.630 14.684 1.00 20.20 H new ATOM 0 HG3 ARG B 57 21.623 -9.029 15.695 1.00 20.20 H new ATOM 0 HD2 ARG B 57 21.292 -9.873 12.788 1.00 18.51 H new ATOM 0 HD3 ARG B 57 20.936 -10.899 14.163 1.00 18.51 H new ATOM 0 HE ARG B 57 19.467 -8.541 14.591 1.00 18.56 H new ATOM 0 HH11 ARG B 57 19.692 -11.079 12.151 1.00 17.10 H new ATOM 0 HH12 ARG B 57 17.997 -10.934 11.674 1.00 17.10 H new ATOM 0 HH21 ARG B 57 17.290 -8.357 13.973 1.00 18.23 H new ATOM 0 HH22 ARG B 57 16.643 -9.399 12.702 1.00 18.23 H new ATOM 627 N LEU B 58 23.436 -5.241 12.578 1.00 17.87 N ATOM 628 CA LEU B 58 23.254 -4.052 11.755 1.00 16.08 C ATOM 629 C LEU B 58 24.077 -4.144 10.475 1.00 16.04 C ATOM 630 O LEU B 58 23.539 -4.062 9.371 1.00 15.16 O ATOM 631 CB LEU B 58 23.650 -2.799 12.538 1.00 15.16 C ATOM 632 CG LEU B 58 22.742 -2.460 13.721 1.00 14.81 C ATOM 633 CD1 LEU B 58 23.357 -1.356 14.566 1.00 15.34 C ATOM 634 CD2 LEU B 58 21.360 -2.053 13.230 1.00 12.60 C ATOM 0 H LEU B 58 23.839 -5.060 13.497 1.00 17.87 H new ATOM 0 HA LEU B 58 22.200 -3.987 11.485 1.00 16.08 H new ATOM 0 HB2 LEU B 58 24.668 -2.926 12.906 1.00 15.16 H new ATOM 0 HB3 LEU B 58 23.662 -1.950 11.854 1.00 15.16 H new ATOM 0 HG LEU B 58 22.638 -3.349 14.343 1.00 14.81 H new ATOM 0 HD11 LEU B 58 22.697 -1.128 15.403 1.00 15.34 H new ATOM 0 HD12 LEU B 58 24.324 -1.685 14.946 1.00 15.34 H new ATOM 0 HD13 LEU B 58 23.491 -0.463 13.956 1.00 15.34 H new ATOM 0 HD21 LEU B 58 20.726 -1.815 14.084 1.00 12.60 H new ATOM 0 HD22 LEU B 58 21.446 -1.177 12.587 1.00 12.60 H new ATOM 0 HD23 LEU B 58 20.917 -2.875 12.667 1.00 12.60 H new ATOM 646 N ALA B 59 25.384 -4.316 10.634 1.00 17.05 N ATOM 647 CA ALA B 59 26.290 -4.422 9.496 1.00 17.24 C ATOM 648 C ALA B 59 25.755 -5.402 8.458 1.00 18.19 C ATOM 649 O ALA B 59 25.984 -5.241 7.259 1.00 18.73 O ATOM 650 CB ALA B 59 27.674 -4.849 9.962 1.00 17.57 C ATOM 0 H ALA B 59 25.841 -4.385 11.543 1.00 17.05 H new ATOM 0 HA ALA B 59 26.362 -3.440 9.028 1.00 17.24 H new ATOM 0 HB1 ALA B 59 28.340 -4.924 9.103 1.00 17.57 H new ATOM 0 HB2 ALA B 59 28.066 -4.111 10.662 1.00 17.57 H new ATOM 0 HB3 ALA B 59 27.609 -5.818 10.456 1.00 17.57 H new ATOM 656 N ASP B 60 25.037 -6.416 8.928 1.00 18.68 N ATOM 657 CA ASP B 60 24.463 -7.421 8.042 1.00 19.83 C ATOM 658 C ASP B 60 23.231 -6.874 7.331 1.00 18.21 C ATOM 659 O ASP B 60 23.142 -6.910 6.104 1.00 18.64 O ATOM 660 CB ASP B 60 24.095 -8.678 8.832 1.00 21.83 C ATOM 661 CG ASP B 60 23.589 -9.794 7.940 1.00 22.38 C ATOM 662 OD1 ASP B 60 24.361 -10.262 7.077 1.00 23.01 O ATOM 663 OD2 ASP B 60 22.419 -10.201 8.104 1.00 22.38 O ATOM 0 H ASP B 60 24.839 -6.563 9.918 1.00 18.68 H new ATOM 0 HA ASP B 60 25.210 -7.679 7.292 1.00 19.83 H new ATOM 0 HB2 ASP B 60 24.968 -9.025 9.384 1.00 21.83 H new ATOM 0 HB3 ASP B 60 23.330 -8.430 9.568 1.00 21.83 H new ATOM 668 N GLU B 61 22.283 -6.364 8.110 1.00 16.52 N ATOM 669 CA GLU B 61 21.057 -5.806 7.555 1.00 15.22 C ATOM 670 C GLU B 61 21.368 -4.634 6.630 1.00 13.35 C ATOM 671 O GLU B 61 20.681 -4.419 5.632 1.00 12.88 O ATOM 672 CB GLU B 61 20.125 -5.350 8.679 1.00 14.80 C ATOM 673 CG GLU B 61 19.476 -6.500 9.433 1.00 14.87 C ATOM 674 CD GLU B 61 18.069 -6.791 8.953 1.00 15.02 C ATOM 675 OE1 GLU B 61 17.877 -6.934 7.726 1.00 15.65 O ATOM 676 OE2 GLU B 61 17.157 -6.876 9.803 1.00 14.83 O ATOM 0 H GLU B 61 22.341 -6.326 9.128 1.00 16.52 H new ATOM 0 HA GLU B 61 20.560 -6.584 6.975 1.00 15.22 H new ATOM 0 HB2 GLU B 61 20.689 -4.738 9.382 1.00 14.80 H new ATOM 0 HB3 GLU B 61 19.345 -4.716 8.258 1.00 14.80 H new ATOM 0 HG2 GLU B 61 20.087 -7.395 9.319 1.00 14.87 H new ATOM 0 HG3 GLU B 61 19.451 -6.264 10.497 1.00 14.87 H new ATOM 683 N GLN B 62 22.409 -3.879 6.969 1.00 12.56 N ATOM 684 CA GLN B 62 22.812 -2.732 6.168 1.00 11.42 C ATOM 685 C GLN B 62 23.560 -3.177 4.917 1.00 10.40 C ATOM 686 O GLN B 62 23.295 -2.692 3.817 1.00 9.87 O ATOM 687 CB GLN B 62 23.692 -1.795 6.998 1.00 12.06 C ATOM 688 CG GLN B 62 22.913 -0.859 7.912 1.00 13.59 C ATOM 689 CD GLN B 62 21.693 -1.510 8.539 1.00 14.01 C ATOM 690 OE1 GLN B 62 20.842 -2.063 7.843 1.00 13.67 O ATOM 691 NE2 GLN B 62 21.601 -1.444 9.862 1.00 15.13 N ATOM 0 H GLN B 62 22.987 -4.042 7.793 1.00 12.56 H new ATOM 0 HA GLN B 62 21.913 -2.199 5.858 1.00 11.42 H new ATOM 0 HB2 GLN B 62 24.372 -2.394 7.603 1.00 12.06 H new ATOM 0 HB3 GLN B 62 24.307 -1.199 6.324 1.00 12.06 H new ATOM 0 HG2 GLN B 62 23.573 -0.502 8.703 1.00 13.59 H new ATOM 0 HG3 GLN B 62 22.597 0.015 7.342 1.00 13.59 H new ATOM 0 HE21 GLN B 62 22.329 -0.976 10.401 1.00 15.13 H new ATOM 0 HE22 GLN B 62 20.802 -1.862 10.339 1.00 15.13 H new ATOM 700 N SER B 63 24.497 -4.106 5.089 1.00 10.72 N ATOM 701 CA SER B 63 25.278 -4.614 3.968 1.00 10.58 C ATOM 702 C SER B 63 24.374 -5.305 2.953 1.00 8.46 C ATOM 703 O SER B 63 24.405 -4.989 1.764 1.00 7.69 O ATOM 704 CB SER B 63 26.351 -5.587 4.461 1.00 12.84 C ATOM 705 OG SER B 63 25.771 -6.667 5.172 1.00 12.53 O ATOM 0 H SER B 63 24.732 -4.520 5.991 1.00 10.72 H new ATOM 0 HA SER B 63 25.766 -3.769 3.482 1.00 10.58 H new ATOM 0 HB2 SER B 63 26.918 -5.969 3.612 1.00 12.84 H new ATOM 0 HB3 SER B 63 27.056 -5.061 5.104 1.00 12.84 H new ATOM 0 HG SER B 63 25.898 -6.531 6.134 1.00 12.53 H new ATOM 711 N GLU B 64 23.568 -6.245 3.432 1.00 7.93 N ATOM 712 CA GLU B 64 22.651 -6.975 2.570 1.00 5.99 C ATOM 713 C GLU B 64 21.769 -6.010 1.786 1.00 4.11 C ATOM 714 O GLU B 64 21.462 -6.243 0.618 1.00 3.73 O ATOM 715 CB GLU B 64 21.785 -7.918 3.404 1.00 5.93 C ATOM 716 CG GLU B 64 20.772 -7.198 4.279 1.00 6.81 C ATOM 717 CD GLU B 64 19.510 -6.824 3.526 1.00 5.94 C ATOM 718 OE1 GLU B 64 19.297 -7.362 2.420 1.00 6.46 O ATOM 719 OE2 GLU B 64 18.734 -5.994 4.045 1.00 5.51 O ATOM 0 H GLU B 64 23.532 -6.519 4.414 1.00 7.93 H new ATOM 0 HA GLU B 64 23.236 -7.562 1.862 1.00 5.99 H new ATOM 0 HB2 GLU B 64 21.257 -8.599 2.737 1.00 5.93 H new ATOM 0 HB3 GLU B 64 22.431 -8.528 4.036 1.00 5.93 H new ATOM 0 HG2 GLU B 64 20.511 -7.834 5.124 1.00 6.81 H new ATOM 0 HG3 GLU B 64 21.227 -6.296 4.688 1.00 6.81 H new ATOM 726 N LEU B 65 21.368 -4.924 2.439 1.00 3.22 N ATOM 727 CA LEU B 65 20.525 -3.919 1.803 1.00 2.58 C ATOM 728 C LEU B 65 21.235 -3.301 0.604 1.00 2.43 C ATOM 729 O LEU B 65 20.628 -3.081 -0.444 1.00 3.31 O ATOM 730 CB LEU B 65 20.147 -2.828 2.807 1.00 2.37 C ATOM 731 CG LEU B 65 18.695 -2.353 2.730 1.00 4.26 C ATOM 732 CD1 LEU B 65 18.181 -1.984 4.113 1.00 5.59 C ATOM 733 CD2 LEU B 65 18.572 -1.170 1.781 1.00 4.43 C ATOM 0 H LEU B 65 21.613 -4.718 3.407 1.00 3.22 H new ATOM 0 HA LEU B 65 19.616 -4.408 1.454 1.00 2.58 H new ATOM 0 HB2 LEU B 65 20.339 -3.199 3.814 1.00 2.37 H new ATOM 0 HB3 LEU B 65 20.802 -1.971 2.653 1.00 2.37 H new ATOM 0 HG LEU B 65 18.085 -3.169 2.343 1.00 4.26 H new ATOM 0 HD11 LEU B 65 17.147 -1.648 4.039 1.00 5.59 H new ATOM 0 HD12 LEU B 65 18.234 -2.856 4.765 1.00 5.59 H new ATOM 0 HD13 LEU B 65 18.794 -1.183 4.527 1.00 5.59 H new ATOM 0 HD21 LEU B 65 17.533 -0.845 1.738 1.00 4.43 H new ATOM 0 HD22 LEU B 65 19.194 -0.350 2.139 1.00 4.43 H new ATOM 0 HD23 LEU B 65 18.901 -1.467 0.785 1.00 4.43 H new ATOM 745 N VAL B 66 22.527 -3.026 0.762 1.00 1.99 N ATOM 746 CA VAL B 66 23.319 -2.438 -0.310 1.00 2.37 C ATOM 747 C VAL B 66 23.379 -3.364 -1.519 1.00 3.72 C ATOM 748 O VAL B 66 23.337 -2.913 -2.663 1.00 4.47 O ATOM 749 CB VAL B 66 24.753 -2.123 0.153 1.00 4.96 C ATOM 750 CG1 VAL B 66 25.426 -1.158 -0.810 1.00 5.65 C ATOM 751 CG2 VAL B 66 24.747 -1.563 1.567 1.00 6.46 C ATOM 0 H VAL B 66 23.046 -3.202 1.622 1.00 1.99 H new ATOM 0 HA VAL B 66 22.826 -1.507 -0.591 1.00 2.37 H new ATOM 0 HB VAL B 66 25.326 -3.051 0.158 1.00 4.96 H new ATOM 0 HG11 VAL B 66 26.439 -0.947 -0.466 1.00 5.65 H new ATOM 0 HG12 VAL B 66 25.466 -1.604 -1.804 1.00 5.65 H new ATOM 0 HG13 VAL B 66 24.857 -0.229 -0.852 1.00 5.65 H new ATOM 0 HG21 VAL B 66 25.769 -1.346 1.877 1.00 6.46 H new ATOM 0 HG22 VAL B 66 24.158 -0.646 1.593 1.00 6.46 H new ATOM 0 HG23 VAL B 66 24.309 -2.295 2.246 1.00 6.46 H new ATOM 761 N LYS B 67 23.478 -4.663 -1.256 1.00 5.08 N ATOM 762 CA LYS B 67 23.543 -5.656 -2.322 1.00 7.36 C ATOM 763 C LYS B 67 22.327 -5.552 -3.235 1.00 8.58 C ATOM 764 O LYS B 67 22.457 -5.305 -4.433 1.00 9.49 O ATOM 765 CB LYS B 67 23.635 -7.064 -1.733 1.00 9.66 C ATOM 766 CG LYS B 67 24.308 -8.067 -2.655 1.00 10.11 C ATOM 767 CD LYS B 67 24.264 -9.473 -2.077 1.00 12.73 C ATOM 768 CE LYS B 67 23.325 -10.371 -2.865 1.00 14.37 C ATOM 769 NZ LYS B 67 21.895 -10.073 -2.572 1.00 15.23 N ATOM 0 H LYS B 67 23.515 -5.052 -0.314 1.00 5.08 H new ATOM 0 HA LYS B 67 24.437 -5.460 -2.913 1.00 7.36 H new ATOM 0 HB2 LYS B 67 24.186 -7.020 -0.793 1.00 9.66 H new ATOM 0 HB3 LYS B 67 22.631 -7.417 -1.498 1.00 9.66 H new ATOM 0 HG2 LYS B 67 23.815 -8.057 -3.627 1.00 10.11 H new ATOM 0 HG3 LYS B 67 25.344 -7.773 -2.820 1.00 10.11 H new ATOM 0 HD2 LYS B 67 25.267 -9.901 -2.081 1.00 12.73 H new ATOM 0 HD3 LYS B 67 23.940 -9.430 -1.037 1.00 12.73 H new ATOM 0 HE2 LYS B 67 23.511 -10.244 -3.931 1.00 14.37 H new ATOM 0 HE3 LYS B 67 23.535 -11.414 -2.627 1.00 14.37 H new ATOM 0 HZ1 LYS B 67 21.287 -10.707 -3.129 1.00 15.23 H new ATOM 0 HZ2 LYS B 67 21.711 -10.219 -1.559 1.00 15.23 H new ATOM 0 HZ3 LYS B 67 21.688 -9.085 -2.823 1.00 15.23 H new ATOM 783 N LYS B 68 21.144 -5.741 -2.660 1.00 9.20 N ATOM 784 CA LYS B 68 19.904 -5.667 -3.423 1.00 11.02 C ATOM 785 C LYS B 68 19.819 -4.354 -4.193 1.00 10.87 C ATOM 786 O LYS B 68 19.283 -4.306 -5.301 1.00 11.87 O ATOM 787 CB LYS B 68 18.700 -5.803 -2.490 1.00 11.08 C ATOM 788 CG LYS B 68 18.556 -7.189 -1.884 1.00 12.99 C ATOM 789 CD LYS B 68 17.103 -7.639 -1.863 1.00 15.45 C ATOM 790 CE LYS B 68 16.503 -7.523 -0.472 1.00 15.90 C ATOM 791 NZ LYS B 68 16.023 -6.142 -0.188 1.00 16.26 N ATOM 0 H LYS B 68 21.018 -5.946 -1.669 1.00 9.20 H new ATOM 0 HA LYS B 68 19.895 -6.489 -4.139 1.00 11.02 H new ATOM 0 HB2 LYS B 68 18.788 -5.071 -1.687 1.00 11.08 H new ATOM 0 HB3 LYS B 68 17.793 -5.561 -3.043 1.00 11.08 H new ATOM 0 HG2 LYS B 68 19.150 -7.901 -2.456 1.00 12.99 H new ATOM 0 HG3 LYS B 68 18.952 -7.186 -0.869 1.00 12.99 H new ATOM 0 HD2 LYS B 68 16.524 -7.035 -2.561 1.00 15.45 H new ATOM 0 HD3 LYS B 68 17.036 -8.672 -2.204 1.00 15.45 H new ATOM 0 HE2 LYS B 68 15.673 -8.223 -0.375 1.00 15.90 H new ATOM 0 HE3 LYS B 68 17.249 -7.808 0.270 1.00 15.90 H new ATOM 0 HZ1 LYS B 68 15.621 -6.104 0.770 1.00 16.26 H new ATOM 0 HZ2 LYS B 68 16.820 -5.477 -0.255 1.00 16.26 H new ATOM 0 HZ3 LYS B 68 15.293 -5.879 -0.880 1.00 16.26 H new ATOM 805 N MET B 69 20.354 -3.292 -3.600 1.00 10.26 N ATOM 806 CA MET B 69 20.343 -1.977 -4.231 1.00 10.99 C ATOM 807 C MET B 69 21.229 -1.965 -5.472 1.00 12.26 C ATOM 808 O MET B 69 20.814 -1.519 -6.542 1.00 12.87 O ATOM 809 CB MET B 69 20.816 -0.912 -3.239 1.00 9.18 C ATOM 810 CG MET B 69 20.871 0.488 -3.826 1.00 9.90 C ATOM 811 SD MET B 69 22.032 1.558 -2.956 1.00 9.78 S ATOM 812 CE MET B 69 23.575 0.699 -3.254 1.00 8.65 C ATOM 0 H MET B 69 20.801 -3.316 -2.683 1.00 10.26 H new ATOM 0 HA MET B 69 19.321 -1.752 -4.535 1.00 10.99 H new ATOM 0 HB2 MET B 69 20.149 -0.909 -2.377 1.00 9.18 H new ATOM 0 HB3 MET B 69 21.807 -1.183 -2.874 1.00 9.18 H new ATOM 0 HG2 MET B 69 21.156 0.427 -4.876 1.00 9.90 H new ATOM 0 HG3 MET B 69 19.876 0.932 -3.791 1.00 9.90 H new ATOM 0 HE1 MET B 69 24.410 1.358 -3.017 1.00 8.65 H new ATOM 0 HE2 MET B 69 23.624 -0.190 -2.625 1.00 8.65 H new ATOM 0 HE3 MET B 69 23.631 0.405 -4.302 1.00 8.65 H new ATOM 822 N VAL B 70 22.453 -2.460 -5.320 1.00 12.76 N ATOM 823 CA VAL B 70 23.401 -2.509 -6.425 1.00 14.05 C ATOM 824 C VAL B 70 23.031 -3.608 -7.415 1.00 15.25 C ATOM 825 O VAL B 70 23.339 -3.516 -8.603 1.00 15.22 O ATOM 826 CB VAL B 70 24.838 -2.737 -5.916 1.00 12.82 C ATOM 827 CG1 VAL B 70 25.814 -2.844 -7.078 1.00 13.30 C ATOM 828 CG2 VAL B 70 25.247 -1.619 -4.969 1.00 10.76 C ATOM 0 H VAL B 70 22.811 -2.833 -4.441 1.00 12.76 H new ATOM 0 HA VAL B 70 23.356 -1.545 -6.932 1.00 14.05 H new ATOM 0 HB VAL B 70 24.863 -3.680 -5.369 1.00 12.82 H new ATOM 0 HG11 VAL B 70 26.821 -3.005 -6.694 1.00 13.30 H new ATOM 0 HG12 VAL B 70 25.531 -3.682 -7.715 1.00 13.30 H new ATOM 0 HG13 VAL B 70 25.790 -1.922 -7.659 1.00 13.30 H new ATOM 0 HG21 VAL B 70 26.264 -1.794 -4.618 1.00 10.76 H new ATOM 0 HG22 VAL B 70 25.203 -0.664 -5.493 1.00 10.76 H new ATOM 0 HG23 VAL B 70 24.568 -1.597 -4.117 1.00 10.76 H new ATOM 838 N PHE B 71 22.366 -4.647 -6.920 1.00 16.61 N ATOM 839 CA PHE B 71 21.951 -5.760 -7.767 1.00 18.24 C ATOM 840 C PHE B 71 20.963 -5.289 -8.828 1.00 19.53 C ATOM 841 O PHE B 71 21.050 -5.683 -9.991 1.00 19.69 O ATOM 842 CB PHE B 71 21.321 -6.867 -6.920 1.00 20.13 C ATOM 843 CG PHE B 71 21.024 -8.118 -7.696 1.00 21.58 C ATOM 844 CD1 PHE B 71 19.862 -8.216 -8.474 1.00 23.01 C ATOM 845 CD2 PHE B 71 21.904 -9.209 -7.656 1.00 21.77 C ATOM 846 CE1 PHE B 71 19.584 -9.378 -9.198 1.00 24.57 C ATOM 847 CE2 PHE B 71 21.631 -10.375 -8.378 1.00 23.49 C ATOM 848 CZ PHE B 71 20.469 -10.458 -9.151 1.00 24.86 C ATOM 0 H PHE B 71 22.103 -4.742 -5.939 1.00 16.61 H new ATOM 0 HA PHE B 71 22.835 -6.157 -8.266 1.00 18.24 H new ATOM 0 HB2 PHE B 71 21.992 -7.110 -6.096 1.00 20.13 H new ATOM 0 HB3 PHE B 71 20.397 -6.495 -6.478 1.00 20.13 H new ATOM 0 HD1 PHE B 71 19.174 -7.384 -8.514 1.00 23.01 H new ATOM 0 HD2 PHE B 71 22.803 -9.148 -7.061 1.00 21.77 H new ATOM 0 HE1 PHE B 71 18.685 -9.441 -9.794 1.00 24.57 H new ATOM 0 HE2 PHE B 71 22.316 -11.209 -8.339 1.00 23.49 H new ATOM 0 HZ PHE B 71 20.256 -11.356 -9.711 1.00 24.86 H new ATOM 858 N ASP B 72 20.025 -4.440 -8.418 1.00 20.68 N ATOM 859 CA ASP B 72 19.021 -3.910 -9.332 1.00 22.41 C ATOM 860 C ASP B 72 19.672 -3.048 -10.409 1.00 21.52 C ATOM 861 O ASP B 72 19.442 -3.248 -11.601 1.00 21.78 O ATOM 862 CB ASP B 72 17.983 -3.090 -8.563 1.00 24.12 C ATOM 863 CG ASP B 72 16.797 -3.925 -8.124 1.00 25.96 C ATOM 864 OD1 ASP B 72 16.635 -5.048 -8.646 1.00 26.26 O ATOM 865 OD2 ASP B 72 16.028 -3.456 -7.257 1.00 27.28 O ATOM 0 H ASP B 72 19.940 -4.105 -7.458 1.00 20.68 H new ATOM 0 HA ASP B 72 18.523 -4.751 -9.815 1.00 22.41 H new ATOM 0 HB2 ASP B 72 18.453 -2.643 -7.687 1.00 24.12 H new ATOM 0 HB3 ASP B 72 17.634 -2.270 -9.191 1.00 24.12 H new ATOM 870 N THR B 73 20.488 -2.090 -9.979 1.00 20.74 N ATOM 871 CA THR B 73 21.174 -1.200 -10.906 1.00 20.19 C ATOM 872 C THR B 73 21.990 -1.995 -11.921 1.00 20.24 C ATOM 873 O THR B 73 21.898 -1.763 -13.127 1.00 21.58 O ATOM 874 CB THR B 73 22.085 -0.239 -10.141 1.00 17.67 C ATOM 875 OG1 THR B 73 21.322 0.634 -9.328 1.00 17.64 O ATOM 876 CG2 THR B 73 22.953 0.613 -11.042 1.00 16.76 C ATOM 0 H THR B 73 20.689 -1.911 -8.995 1.00 20.74 H new ATOM 0 HA THR B 73 20.421 -0.625 -11.444 1.00 20.19 H new ATOM 0 HB THR B 73 22.733 -0.876 -9.539 1.00 17.67 H new ATOM 0 HG1 THR B 73 21.459 0.406 -8.385 1.00 17.64 H new ATOM 0 HG21 THR B 73 23.573 1.271 -10.433 1.00 16.76 H new ATOM 0 HG22 THR B 73 23.592 -0.031 -11.647 1.00 16.76 H new ATOM 0 HG23 THR B 73 22.320 1.213 -11.695 1.00 16.76 H new ATOM 884 N LEU B 74 22.788 -2.935 -11.425 1.00 18.91 N ATOM 885 CA LEU B 74 23.621 -3.765 -12.288 1.00 18.87 C ATOM 886 C LEU B 74 22.776 -4.484 -13.334 1.00 20.48 C ATOM 887 O LEU B 74 23.142 -4.542 -14.508 1.00 20.69 O ATOM 888 CB LEU B 74 24.397 -4.784 -11.454 1.00 16.64 C ATOM 889 CG LEU B 74 25.591 -4.216 -10.685 1.00 14.21 C ATOM 890 CD1 LEU B 74 26.397 -5.337 -10.050 1.00 13.86 C ATOM 891 CD2 LEU B 74 26.468 -3.382 -11.607 1.00 12.43 C ATOM 0 H LEU B 74 22.875 -3.141 -10.430 1.00 18.91 H new ATOM 0 HA LEU B 74 24.327 -3.114 -12.804 1.00 18.87 H new ATOM 0 HB2 LEU B 74 23.712 -5.245 -10.742 1.00 16.64 H new ATOM 0 HB3 LEU B 74 24.752 -5.576 -12.114 1.00 16.64 H new ATOM 0 HG LEU B 74 25.216 -3.571 -9.890 1.00 14.21 H new ATOM 0 HD11 LEU B 74 27.243 -4.915 -9.507 1.00 13.86 H new ATOM 0 HD12 LEU B 74 25.764 -5.894 -9.359 1.00 13.86 H new ATOM 0 HD13 LEU B 74 26.763 -6.007 -10.828 1.00 13.86 H new ATOM 0 HD21 LEU B 74 27.313 -2.985 -11.045 1.00 12.43 H new ATOM 0 HD22 LEU B 74 26.835 -4.006 -12.422 1.00 12.43 H new ATOM 0 HD23 LEU B 74 25.885 -2.557 -12.016 1.00 12.43 H new ATOM 903 N LYS B 75 21.643 -5.031 -12.903 1.00 21.74 N ATOM 904 CA LYS B 75 20.747 -5.745 -13.807 1.00 23.60 C ATOM 905 C LYS B 75 20.459 -4.914 -15.051 1.00 25.55 C ATOM 906 O LYS B 75 20.493 -5.421 -16.172 1.00 26.87 O ATOM 907 CB LYS B 75 19.439 -6.094 -13.096 1.00 23.51 C ATOM 908 CG LYS B 75 18.762 -7.340 -13.644 1.00 24.34 C ATOM 909 CD LYS B 75 18.345 -8.282 -12.527 1.00 23.46 C ATOM 910 CE LYS B 75 17.106 -7.777 -11.804 1.00 24.05 C ATOM 911 NZ LYS B 75 16.400 -8.870 -11.080 1.00 23.66 N ATOM 0 H LYS B 75 21.324 -4.994 -11.935 1.00 21.74 H new ATOM 0 HA LYS B 75 21.240 -6.668 -14.114 1.00 23.60 H new ATOM 0 HB2 LYS B 75 19.639 -6.237 -12.034 1.00 23.51 H new ATOM 0 HB3 LYS B 75 18.753 -5.251 -13.180 1.00 23.51 H new ATOM 0 HG2 LYS B 75 17.886 -7.054 -14.226 1.00 24.34 H new ATOM 0 HG3 LYS B 75 19.441 -7.856 -14.323 1.00 24.34 H new ATOM 0 HD2 LYS B 75 18.149 -9.272 -12.939 1.00 23.46 H new ATOM 0 HD3 LYS B 75 19.164 -8.389 -11.816 1.00 23.46 H new ATOM 0 HE2 LYS B 75 17.391 -6.998 -11.097 1.00 24.05 H new ATOM 0 HE3 LYS B 75 16.427 -7.321 -12.524 1.00 24.05 H new ATOM 0 HZ1 LYS B 75 15.382 -8.660 -11.042 1.00 23.66 H new ATOM 0 HZ2 LYS B 75 16.549 -9.770 -11.579 1.00 23.66 H new ATOM 0 HZ3 LYS B 75 16.775 -8.944 -10.113 1.00 23.66 H new ATOM 925 N ASP B 76 20.183 -3.633 -14.844 1.00 25.88 N ATOM 926 CA ASP B 76 19.896 -2.727 -15.946 1.00 27.84 C ATOM 927 C ASP B 76 21.174 -2.384 -16.702 1.00 28.42 C ATOM 928 O ASP B 76 21.167 -2.245 -17.925 1.00 30.29 O ATOM 929 CB ASP B 76 19.233 -1.449 -15.426 1.00 27.82 C ATOM 930 CG ASP B 76 17.862 -1.710 -14.833 1.00 28.70 C ATOM 931 OD1 ASP B 76 17.049 -2.390 -15.495 1.00 28.89 O ATOM 932 OD2 ASP B 76 17.602 -1.237 -13.708 1.00 29.23 O ATOM 0 H ASP B 76 20.152 -3.198 -13.922 1.00 25.88 H new ATOM 0 HA ASP B 76 19.209 -3.225 -16.631 1.00 27.84 H new ATOM 0 HB2 ASP B 76 19.872 -0.993 -14.670 1.00 27.82 H new ATOM 0 HB3 ASP B 76 19.143 -0.732 -16.242 1.00 27.82 H new ATOM 937 N LEU B 77 22.271 -2.253 -15.963 1.00 26.87 N ATOM 938 CA LEU B 77 23.563 -1.932 -16.557 1.00 27.31 C ATOM 939 C LEU B 77 23.922 -2.938 -17.646 1.00 28.76 C ATOM 940 O LEU B 77 24.330 -2.561 -18.745 1.00 30.32 O ATOM 941 CB LEU B 77 24.650 -1.922 -15.481 1.00 25.26 C ATOM 942 CG LEU B 77 24.850 -0.582 -14.775 1.00 23.79 C ATOM 943 CD1 LEU B 77 25.614 -0.774 -13.474 1.00 21.26 C ATOM 944 CD2 LEU B 77 25.581 0.394 -15.686 1.00 24.60 C ATOM 0 H LEU B 77 22.290 -2.365 -14.949 1.00 26.87 H new ATOM 0 HA LEU B 77 23.495 -0.942 -17.007 1.00 27.31 H new ATOM 0 HB2 LEU B 77 24.406 -2.676 -14.733 1.00 25.26 H new ATOM 0 HB3 LEU B 77 25.594 -2.219 -15.937 1.00 25.26 H new ATOM 0 HG LEU B 77 23.871 -0.166 -14.539 1.00 23.79 H new ATOM 0 HD11 LEU B 77 25.747 0.191 -12.985 1.00 21.26 H new ATOM 0 HD12 LEU B 77 25.053 -1.439 -12.818 1.00 21.26 H new ATOM 0 HD13 LEU B 77 26.590 -1.211 -13.686 1.00 21.26 H new ATOM 0 HD21 LEU B 77 25.716 1.344 -15.168 1.00 24.60 H new ATOM 0 HD22 LEU B 77 26.555 -0.016 -15.951 1.00 24.60 H new ATOM 0 HD23 LEU B 77 24.996 0.554 -16.592 1.00 24.60 H new ATOM 956 N TYR B 78 23.770 -4.219 -17.329 1.00 28.44 N ATOM 957 CA TYR B 78 24.078 -5.283 -18.277 1.00 29.94 C ATOM 958 C TYR B 78 23.003 -5.385 -19.353 1.00 31.83 C ATOM 959 O TYR B 78 23.308 -5.488 -20.541 1.00 31.80 O ATOM 960 CB TYR B 78 24.216 -6.621 -17.546 1.00 31.02 C ATOM 961 CG TYR B 78 25.651 -7.024 -17.292 1.00 30.45 C ATOM 962 CD1 TYR B 78 26.413 -6.385 -16.301 1.00 28.99 C ATOM 963 CD2 TYR B 78 26.255 -8.048 -18.043 1.00 31.57 C ATOM 964 CE1 TYR B 78 27.741 -6.752 -16.064 1.00 28.60 C ATOM 965 CE2 TYR B 78 27.582 -8.421 -17.813 1.00 31.32 C ATOM 966 CZ TYR B 78 28.321 -7.771 -16.822 1.00 29.81 C ATOM 967 OH TYR B 78 29.629 -8.134 -16.591 1.00 29.72 O ATOM 0 H TYR B 78 23.435 -4.546 -16.423 1.00 28.44 H new ATOM 0 HA TYR B 78 25.025 -5.041 -18.760 1.00 29.94 H new ATOM 0 HB2 TYR B 78 23.690 -6.562 -16.593 1.00 31.02 H new ATOM 0 HB3 TYR B 78 23.727 -7.399 -18.133 1.00 31.02 H new ATOM 0 HD1 TYR B 78 25.966 -5.597 -15.712 1.00 28.99 H new ATOM 0 HD2 TYR B 78 25.685 -8.553 -18.809 1.00 31.57 H new ATOM 0 HE1 TYR B 78 28.315 -6.250 -15.299 1.00 28.60 H new ATOM 0 HE2 TYR B 78 28.034 -9.208 -18.399 1.00 31.32 H new ATOM 0 HH TYR B 78 29.880 -8.858 -17.201 1.00 29.72 H new ATOM 977 N LYS B 79 21.743 -5.356 -18.931 1.00 33.54 N ATOM 978 CA LYS B 79 20.625 -5.444 -19.863 1.00 35.55 C ATOM 979 C LYS B 79 20.774 -4.422 -20.984 1.00 36.08 C ATOM 980 O LYS B 79 20.341 -4.655 -22.112 1.00 36.16 O ATOM 981 CB LYS B 79 19.301 -5.227 -19.127 1.00 35.41 C ATOM 982 CG LYS B 79 18.673 -6.514 -18.616 1.00 36.27 C ATOM 983 CD LYS B 79 17.252 -6.682 -19.129 1.00 38.48 C ATOM 984 CE LYS B 79 16.308 -5.672 -18.498 1.00 38.09 C ATOM 985 NZ LYS B 79 14.914 -5.832 -18.993 1.00 40.26 N ATOM 0 H LYS B 79 21.471 -5.272 -17.951 1.00 33.54 H new ATOM 0 HA LYS B 79 20.626 -6.441 -20.303 1.00 35.55 H new ATOM 0 HB2 LYS B 79 19.468 -4.555 -18.286 1.00 35.41 H new ATOM 0 HB3 LYS B 79 18.599 -4.731 -19.797 1.00 35.41 H new ATOM 0 HG2 LYS B 79 19.277 -7.365 -18.930 1.00 36.27 H new ATOM 0 HG3 LYS B 79 18.670 -6.511 -17.526 1.00 36.27 H new ATOM 0 HD2 LYS B 79 17.239 -6.566 -20.213 1.00 38.48 H new ATOM 0 HD3 LYS B 79 16.903 -7.692 -18.913 1.00 38.48 H new ATOM 0 HE2 LYS B 79 16.324 -5.788 -17.414 1.00 38.09 H new ATOM 0 HE3 LYS B 79 16.657 -4.663 -18.716 1.00 38.09 H new ATOM 0 HZ1 LYS B 79 14.301 -5.125 -18.539 1.00 40.26 H new ATOM 0 HZ2 LYS B 79 14.894 -5.697 -20.024 1.00 40.26 H new ATOM 0 HZ3 LYS B 79 14.571 -6.786 -18.762 1.00 40.26 H new ATOM 1103 N ALA C 55 25.907 12.768 18.143 1.00 33.90 N ATOM 1104 CA ALA C 55 25.631 11.579 17.349 1.00 32.83 C ATOM 1105 C ALA C 55 25.195 11.959 15.938 1.00 30.51 C ATOM 1106 O ALA C 55 25.499 11.259 14.973 1.00 29.72 O ATOM 1107 CB ALA C 55 24.566 10.726 18.021 1.00 32.96 C ATOM 0 HA ALA C 55 26.550 10.997 17.278 1.00 32.83 H new ATOM 0 HB1 ALA C 55 24.372 9.842 17.414 1.00 32.96 H new ATOM 0 HB2 ALA C 55 24.914 10.420 19.008 1.00 32.96 H new ATOM 0 HB3 ALA C 55 23.648 11.304 18.123 1.00 32.96 H new ATOM 1113 N GLU C 56 24.486 13.079 15.826 1.00 29.45 N ATOM 1114 CA GLU C 56 24.015 13.557 14.532 1.00 27.29 C ATOM 1115 C GLU C 56 25.190 13.979 13.661 1.00 27.49 C ATOM 1116 O GLU C 56 25.349 13.502 12.537 1.00 27.67 O ATOM 1117 CB GLU C 56 23.051 14.730 14.716 1.00 26.37 C ATOM 1118 CG GLU C 56 21.612 14.399 14.354 1.00 25.13 C ATOM 1119 CD GLU C 56 20.733 15.632 14.271 1.00 23.93 C ATOM 1120 OE1 GLU C 56 20.437 16.223 15.331 1.00 23.46 O ATOM 1121 OE2 GLU C 56 20.339 16.005 13.146 1.00 23.66 O ATOM 0 H GLU C 56 24.226 13.671 16.615 1.00 29.45 H new ATOM 0 HA GLU C 56 23.487 12.743 14.036 1.00 27.29 H new ATOM 0 HB2 GLU C 56 23.089 15.061 15.754 1.00 26.37 H new ATOM 0 HB3 GLU C 56 23.388 15.566 14.103 1.00 26.37 H new ATOM 0 HG2 GLU C 56 21.593 13.878 13.397 1.00 25.13 H new ATOM 0 HG3 GLU C 56 21.202 13.715 15.097 1.00 25.13 H new ATOM 1128 N ARG C 57 26.016 14.871 14.193 1.00 27.68 N ATOM 1129 CA ARG C 57 27.185 15.354 13.474 1.00 28.15 C ATOM 1130 C ARG C 57 28.216 14.242 13.331 1.00 26.76 C ATOM 1131 O ARG C 57 28.822 14.069 12.274 1.00 26.59 O ATOM 1132 CB ARG C 57 27.801 16.553 14.198 1.00 30.03 C ATOM 1133 CG ARG C 57 28.192 16.262 15.639 1.00 31.19 C ATOM 1134 CD ARG C 57 29.028 17.386 16.227 1.00 33.30 C ATOM 1135 NE ARG C 57 28.565 18.699 15.790 1.00 34.99 N ATOM 1136 CZ ARG C 57 29.320 19.792 15.816 1.00 36.43 C ATOM 1137 NH1 ARG C 57 30.568 19.727 16.261 1.00 36.37 N ATOM 1138 NH2 ARG C 57 28.830 20.951 15.399 1.00 37.99 N ATOM 0 H ARG C 57 25.896 15.275 15.122 1.00 27.68 H new ATOM 0 HA ARG C 57 26.871 15.671 12.480 1.00 28.15 H new ATOM 0 HB2 ARG C 57 28.684 16.882 13.651 1.00 30.03 H new ATOM 0 HB3 ARG C 57 27.090 17.379 14.183 1.00 30.03 H new ATOM 0 HG2 ARG C 57 27.293 16.123 16.240 1.00 31.19 H new ATOM 0 HG3 ARG C 57 28.753 15.328 15.683 1.00 31.19 H new ATOM 0 HD2 ARG C 57 28.992 17.333 17.315 1.00 33.30 H new ATOM 0 HD3 ARG C 57 30.070 17.254 15.935 1.00 33.30 H new ATOM 0 HE ARG C 57 27.609 18.782 15.445 1.00 34.99 H new ATOM 0 HH11 ARG C 57 30.949 18.837 16.584 1.00 36.37 H new ATOM 0 HH12 ARG C 57 31.147 20.567 16.281 1.00 36.37 H new ATOM 0 HH21 ARG C 57 27.871 21.006 15.057 1.00 37.99 H new ATOM 0 HH22 ARG C 57 29.412 21.788 15.420 1.00 37.99 H new ATOM 1152 N LEU C 58 28.399 13.484 14.407 1.00 26.02 N ATOM 1153 CA LEU C 58 29.346 12.374 14.415 1.00 24.78 C ATOM 1154 C LEU C 58 28.932 11.313 13.403 1.00 22.83 C ATOM 1155 O LEU C 58 29.744 10.855 12.599 1.00 23.38 O ATOM 1156 CB LEU C 58 29.426 11.761 15.817 1.00 24.54 C ATOM 1157 CG LEU C 58 30.280 10.496 15.936 1.00 25.29 C ATOM 1158 CD1 LEU C 58 29.522 9.286 15.414 1.00 23.34 C ATOM 1159 CD2 LEU C 58 31.592 10.668 15.188 1.00 26.03 C ATOM 0 H LEU C 58 27.902 13.619 15.288 1.00 26.02 H new ATOM 0 HA LEU C 58 30.329 12.754 14.137 1.00 24.78 H new ATOM 0 HB2 LEU C 58 29.823 12.512 16.501 1.00 24.54 H new ATOM 0 HB3 LEU C 58 28.415 11.528 16.151 1.00 24.54 H new ATOM 0 HG LEU C 58 30.503 10.330 16.990 1.00 25.29 H new ATOM 0 HD11 LEU C 58 30.146 8.397 15.507 1.00 23.34 H new ATOM 0 HD12 LEU C 58 28.609 9.151 15.994 1.00 23.34 H new ATOM 0 HD13 LEU C 58 29.266 9.441 14.366 1.00 23.34 H new ATOM 0 HD21 LEU C 58 32.187 9.760 15.283 1.00 26.03 H new ATOM 0 HD22 LEU C 58 31.388 10.860 14.135 1.00 26.03 H new ATOM 0 HD23 LEU C 58 32.144 11.508 15.609 1.00 26.03 H new ATOM 1171 N ALA C 59 27.659 10.931 13.446 1.00 20.59 N ATOM 1172 CA ALA C 59 27.130 9.928 12.531 1.00 18.66 C ATOM 1173 C ALA C 59 27.317 10.362 11.082 1.00 19.13 C ATOM 1174 O ALA C 59 27.597 9.542 10.208 1.00 19.94 O ATOM 1175 CB ALA C 59 25.660 9.672 12.823 1.00 17.33 C ATOM 0 H ALA C 59 26.975 11.302 14.106 1.00 20.59 H new ATOM 0 HA ALA C 59 27.684 9.001 12.681 1.00 18.66 H new ATOM 0 HB1 ALA C 59 25.277 8.921 12.132 1.00 17.33 H new ATOM 0 HB2 ALA C 59 25.549 9.314 13.846 1.00 17.33 H new ATOM 0 HB3 ALA C 59 25.098 10.598 12.700 1.00 17.33 H new ATOM 1181 N ASP C 60 27.163 11.660 10.836 1.00 18.70 N ATOM 1182 CA ASP C 60 27.317 12.205 9.493 1.00 19.06 C ATOM 1183 C ASP C 60 28.663 11.799 8.901 1.00 19.52 C ATOM 1184 O ASP C 60 28.732 11.280 7.788 1.00 19.23 O ATOM 1185 CB ASP C 60 27.196 13.730 9.520 1.00 19.00 C ATOM 1186 CG ASP C 60 26.226 14.251 8.477 1.00 18.16 C ATOM 1187 OD1 ASP C 60 26.258 13.749 7.334 1.00 16.72 O ATOM 1188 OD2 ASP C 60 25.435 15.160 8.803 1.00 19.16 O ATOM 0 H ASP C 60 26.932 12.352 11.549 1.00 18.70 H new ATOM 0 HA ASP C 60 26.523 11.799 8.866 1.00 19.06 H new ATOM 0 HB2 ASP C 60 26.867 14.048 10.509 1.00 19.00 H new ATOM 0 HB3 ASP C 60 28.178 14.173 9.353 1.00 19.00 H new ATOM 1193 N GLU C 61 29.731 12.037 9.657 1.00 20.31 N ATOM 1194 CA GLU C 61 31.074 11.691 9.208 1.00 20.80 C ATOM 1195 C GLU C 61 31.195 10.188 8.984 1.00 20.96 C ATOM 1196 O GLU C 61 31.824 9.741 8.024 1.00 21.57 O ATOM 1197 CB GLU C 61 32.114 12.154 10.231 1.00 20.82 C ATOM 1198 CG GLU C 61 33.493 12.385 9.635 1.00 20.88 C ATOM 1199 CD GLU C 61 33.840 13.856 9.522 1.00 20.26 C ATOM 1200 OE1 GLU C 61 32.962 14.643 9.114 1.00 19.30 O ATOM 1201 OE2 GLU C 61 34.992 14.219 9.840 1.00 20.81 O ATOM 0 H GLU C 61 29.692 12.467 10.581 1.00 20.31 H new ATOM 0 HA GLU C 61 31.259 12.200 8.262 1.00 20.80 H new ATOM 0 HB2 GLU C 61 31.769 13.078 10.695 1.00 20.82 H new ATOM 0 HB3 GLU C 61 32.190 11.408 11.023 1.00 20.82 H new ATOM 0 HG2 GLU C 61 34.240 11.886 10.252 1.00 20.88 H new ATOM 0 HG3 GLU C 61 33.539 11.928 8.647 1.00 20.88 H new ATOM 1208 N GLN C 62 30.584 9.415 9.874 1.00 20.42 N ATOM 1209 CA GLN C 62 30.616 7.961 9.775 1.00 20.50 C ATOM 1210 C GLN C 62 30.013 7.497 8.455 1.00 18.86 C ATOM 1211 O GLN C 62 30.681 6.853 7.647 1.00 19.72 O ATOM 1212 CB GLN C 62 29.860 7.331 10.947 1.00 20.17 C ATOM 1213 CG GLN C 62 30.438 7.690 12.306 1.00 22.87 C ATOM 1214 CD GLN C 62 31.947 7.554 12.353 1.00 23.62 C ATOM 1215 OE1 GLN C 62 32.490 6.462 12.185 1.00 24.10 O ATOM 1216 NE2 GLN C 62 32.634 8.668 12.584 1.00 23.72 N ATOM 0 H GLN C 62 30.060 9.771 10.673 1.00 20.42 H new ATOM 0 HA GLN C 62 31.657 7.640 9.812 1.00 20.50 H new ATOM 0 HB2 GLN C 62 28.818 7.648 10.909 1.00 20.17 H new ATOM 0 HB3 GLN C 62 29.867 6.247 10.833 1.00 20.17 H new ATOM 0 HG2 GLN C 62 30.161 8.715 12.555 1.00 22.87 H new ATOM 0 HG3 GLN C 62 29.995 7.047 13.066 1.00 22.87 H new ATOM 0 HE21 GLN C 62 32.143 9.552 12.717 1.00 23.72 H new ATOM 0 HE22 GLN C 62 33.653 8.639 12.628 1.00 23.72 H new ATOM 1225 N SER C 63 28.744 7.836 8.239 1.00 16.68 N ATOM 1226 CA SER C 63 28.054 7.458 7.013 1.00 15.25 C ATOM 1227 C SER C 63 28.786 8.012 5.796 1.00 15.35 C ATOM 1228 O SER C 63 28.758 7.419 4.717 1.00 13.68 O ATOM 1229 CB SER C 63 26.613 7.969 7.033 1.00 15.74 C ATOM 1230 OG SER C 63 26.544 9.320 6.609 1.00 17.37 O ATOM 0 H SER C 63 28.176 8.370 8.896 1.00 16.68 H new ATOM 0 HA SER C 63 28.041 6.370 6.949 1.00 15.25 H new ATOM 0 HB2 SER C 63 25.995 7.349 6.384 1.00 15.74 H new ATOM 0 HB3 SER C 63 26.206 7.880 8.040 1.00 15.74 H new ATOM 0 HG SER C 63 27.243 9.840 7.058 1.00 17.37 H new ATOM 1236 N GLU C 64 29.446 9.152 5.980 1.00 17.57 N ATOM 1237 CA GLU C 64 30.192 9.786 4.900 1.00 18.23 C ATOM 1238 C GLU C 64 31.269 8.846 4.369 1.00 16.98 C ATOM 1239 O GLU C 64 31.311 8.545 3.176 1.00 16.64 O ATOM 1240 CB GLU C 64 30.829 11.089 5.386 1.00 21.01 C ATOM 1241 CG GLU C 64 30.462 12.299 4.543 1.00 22.09 C ATOM 1242 CD GLU C 64 30.462 13.588 5.342 1.00 24.50 C ATOM 1243 OE1 GLU C 64 31.551 14.171 5.528 1.00 25.68 O ATOM 1244 OE2 GLU C 64 29.374 14.013 5.782 1.00 25.32 O ATOM 0 H GLU C 64 29.479 9.655 6.867 1.00 17.57 H new ATOM 0 HA GLU C 64 29.497 10.013 4.092 1.00 18.23 H new ATOM 0 HB2 GLU C 64 30.525 11.270 6.417 1.00 21.01 H new ATOM 0 HB3 GLU C 64 31.913 10.974 5.389 1.00 21.01 H new ATOM 0 HG2 GLU C 64 31.167 12.388 3.716 1.00 22.09 H new ATOM 0 HG3 GLU C 64 29.475 12.147 4.106 1.00 22.09 H new ATOM 1251 N LEU C 65 32.132 8.380 5.264 1.00 16.34 N ATOM 1252 CA LEU C 65 33.203 7.467 4.886 1.00 15.22 C ATOM 1253 C LEU C 65 32.636 6.253 4.160 1.00 13.91 C ATOM 1254 O LEU C 65 33.208 5.779 3.178 1.00 14.02 O ATOM 1255 CB LEU C 65 33.984 7.021 6.123 1.00 15.55 C ATOM 1256 CG LEU C 65 34.599 8.156 6.944 1.00 16.26 C ATOM 1257 CD1 LEU C 65 34.714 7.756 8.407 1.00 14.99 C ATOM 1258 CD2 LEU C 65 35.962 8.539 6.386 1.00 18.25 C ATOM 0 H LEU C 65 32.111 8.619 6.255 1.00 16.34 H new ATOM 0 HA LEU C 65 33.881 7.992 4.213 1.00 15.22 H new ATOM 0 HB2 LEU C 65 33.318 6.447 6.767 1.00 15.55 H new ATOM 0 HB3 LEU C 65 34.781 6.348 5.808 1.00 15.55 H new ATOM 0 HG LEU C 65 33.943 9.024 6.877 1.00 16.26 H new ATOM 0 HD11 LEU C 65 35.154 8.576 8.975 1.00 14.99 H new ATOM 0 HD12 LEU C 65 33.723 7.531 8.802 1.00 14.99 H new ATOM 0 HD13 LEU C 65 35.348 6.874 8.494 1.00 14.99 H new ATOM 0 HD21 LEU C 65 36.385 9.348 6.982 1.00 18.25 H new ATOM 0 HD22 LEU C 65 36.626 7.675 6.423 1.00 18.25 H new ATOM 0 HD23 LEU C 65 35.853 8.869 5.353 1.00 18.25 H new ATOM 1270 N VAL C 66 31.502 5.758 4.646 1.00 13.07 N ATOM 1271 CA VAL C 66 30.850 4.606 4.040 1.00 12.01 C ATOM 1272 C VAL C 66 30.375 4.935 2.631 1.00 10.06 C ATOM 1273 O VAL C 66 30.658 4.204 1.683 1.00 9.80 O ATOM 1274 CB VAL C 66 29.647 4.134 4.878 1.00 12.76 C ATOM 1275 CG1 VAL C 66 29.013 2.899 4.255 1.00 11.89 C ATOM 1276 CG2 VAL C 66 30.068 3.861 6.313 1.00 14.93 C ATOM 0 H VAL C 66 31.016 6.138 5.458 1.00 13.07 H new ATOM 0 HA VAL C 66 31.588 3.805 4.000 1.00 12.01 H new ATOM 0 HB VAL C 66 28.902 4.930 4.889 1.00 12.76 H new ATOM 0 HG11 VAL C 66 28.165 2.580 4.861 1.00 11.89 H new ATOM 0 HG12 VAL C 66 28.671 3.135 3.247 1.00 11.89 H new ATOM 0 HG13 VAL C 66 29.749 2.096 4.210 1.00 11.89 H new ATOM 0 HG21 VAL C 66 29.204 3.529 6.889 1.00 14.93 H new ATOM 0 HG22 VAL C 66 30.833 3.085 6.326 1.00 14.93 H new ATOM 0 HG23 VAL C 66 30.469 4.773 6.754 1.00 14.93 H new ATOM 1286 N LYS C 67 29.657 6.047 2.501 1.00 9.21 N ATOM 1287 CA LYS C 67 29.148 6.479 1.206 1.00 7.35 C ATOM 1288 C LYS C 67 30.295 6.693 0.226 1.00 7.22 C ATOM 1289 O LYS C 67 30.248 6.226 -0.913 1.00 7.05 O ATOM 1290 CB LYS C 67 28.339 7.769 1.359 1.00 8.14 C ATOM 1291 CG LYS C 67 27.867 8.351 0.036 1.00 8.70 C ATOM 1292 CD LYS C 67 27.552 9.832 0.161 1.00 9.34 C ATOM 1293 CE LYS C 67 26.836 10.354 -1.073 1.00 9.08 C ATOM 1294 NZ LYS C 67 27.213 11.762 -1.380 1.00 9.11 N ATOM 0 H LYS C 67 29.415 6.664 3.277 1.00 9.21 H new ATOM 0 HA LYS C 67 28.496 5.698 0.813 1.00 7.35 H new ATOM 0 HB2 LYS C 67 27.472 7.572 1.990 1.00 8.14 H new ATOM 0 HB3 LYS C 67 28.948 8.511 1.876 1.00 8.14 H new ATOM 0 HG2 LYS C 67 28.636 8.204 -0.722 1.00 8.70 H new ATOM 0 HG3 LYS C 67 26.979 7.816 -0.302 1.00 8.70 H new ATOM 0 HD2 LYS C 67 26.932 10.000 1.041 1.00 9.34 H new ATOM 0 HD3 LYS C 67 28.476 10.390 0.311 1.00 9.34 H new ATOM 0 HE2 LYS C 67 27.075 9.720 -1.927 1.00 9.08 H new ATOM 0 HE3 LYS C 67 25.758 10.292 -0.921 1.00 9.08 H new ATOM 0 HZ1 LYS C 67 26.703 12.081 -2.229 1.00 9.11 H new ATOM 0 HZ2 LYS C 67 26.962 12.372 -0.576 1.00 9.11 H new ATOM 0 HZ3 LYS C 67 28.237 11.818 -1.550 1.00 9.11 H new ATOM 1308 N LYS C 68 31.326 7.399 0.677 1.00 8.11 N ATOM 1309 CA LYS C 68 32.488 7.671 -0.158 1.00 8.96 C ATOM 1310 C LYS C 68 33.128 6.369 -0.626 1.00 9.22 C ATOM 1311 O LYS C 68 33.586 6.263 -1.764 1.00 11.14 O ATOM 1312 CB LYS C 68 33.510 8.512 0.608 1.00 11.18 C ATOM 1313 CG LYS C 68 34.762 8.828 -0.192 1.00 12.68 C ATOM 1314 CD LYS C 68 35.567 9.945 0.451 1.00 12.39 C ATOM 1315 CE LYS C 68 36.760 9.401 1.219 1.00 12.78 C ATOM 1316 NZ LYS C 68 37.662 10.488 1.689 1.00 13.45 N ATOM 0 H LYS C 68 31.380 7.793 1.616 1.00 8.11 H new ATOM 0 HA LYS C 68 32.157 8.231 -1.033 1.00 8.96 H new ATOM 0 HB2 LYS C 68 33.041 9.446 0.916 1.00 11.18 H new ATOM 0 HB3 LYS C 68 33.794 7.983 1.518 1.00 11.18 H new ATOM 0 HG2 LYS C 68 35.379 7.933 -0.272 1.00 12.68 H new ATOM 0 HG3 LYS C 68 34.484 9.116 -1.206 1.00 12.68 H new ATOM 0 HD2 LYS C 68 35.912 10.635 -0.319 1.00 12.39 H new ATOM 0 HD3 LYS C 68 34.927 10.514 1.126 1.00 12.39 H new ATOM 0 HE2 LYS C 68 36.408 8.826 2.075 1.00 12.78 H new ATOM 0 HE3 LYS C 68 37.319 8.715 0.582 1.00 12.78 H new ATOM 0 HZ1 LYS C 68 38.463 10.075 2.208 1.00 13.45 H new ATOM 0 HZ2 LYS C 68 38.018 11.022 0.871 1.00 13.45 H new ATOM 0 HZ3 LYS C 68 37.136 11.128 2.317 1.00 13.45 H new ATOM 1330 N MET C 69 33.151 5.376 0.258 1.00 7.52 N ATOM 1331 CA MET C 69 33.727 4.078 -0.066 1.00 7.75 C ATOM 1332 C MET C 69 32.934 3.403 -1.178 1.00 6.46 C ATOM 1333 O MET C 69 33.502 2.760 -2.061 1.00 6.05 O ATOM 1334 CB MET C 69 33.756 3.187 1.178 1.00 7.92 C ATOM 1335 CG MET C 69 34.278 1.785 0.914 1.00 7.19 C ATOM 1336 SD MET C 69 34.419 0.802 2.419 1.00 7.75 S ATOM 1337 CE MET C 69 32.826 1.114 3.177 1.00 7.91 C ATOM 0 H MET C 69 32.777 5.447 1.204 1.00 7.52 H new ATOM 0 HA MET C 69 34.749 4.231 -0.414 1.00 7.75 H new ATOM 0 HB2 MET C 69 34.378 3.660 1.938 1.00 7.92 H new ATOM 0 HB3 MET C 69 32.749 3.119 1.588 1.00 7.92 H new ATOM 0 HG2 MET C 69 33.612 1.279 0.215 1.00 7.19 H new ATOM 0 HG3 MET C 69 35.254 1.849 0.434 1.00 7.19 H new ATOM 0 HE1 MET C 69 32.463 0.201 3.650 1.00 7.91 H new ATOM 0 HE2 MET C 69 32.928 1.896 3.929 1.00 7.91 H new ATOM 0 HE3 MET C 69 32.116 1.434 2.414 1.00 7.91 H new ATOM 1347 N VAL C 70 31.614 3.559 -1.130 1.00 6.64 N ATOM 1348 CA VAL C 70 30.736 2.972 -2.131 1.00 7.28 C ATOM 1349 C VAL C 70 30.813 3.743 -3.443 1.00 7.63 C ATOM 1350 O VAL C 70 30.830 3.150 -4.520 1.00 7.53 O ATOM 1351 CB VAL C 70 29.273 2.936 -1.636 1.00 7.80 C ATOM 1352 CG1 VAL C 70 28.327 2.463 -2.734 1.00 9.42 C ATOM 1353 CG2 VAL C 70 29.157 2.043 -0.413 1.00 5.79 C ATOM 0 H VAL C 70 31.130 4.089 -0.405 1.00 6.64 H new ATOM 0 HA VAL C 70 31.074 1.950 -2.301 1.00 7.28 H new ATOM 0 HB VAL C 70 28.983 3.951 -1.363 1.00 7.80 H new ATOM 0 HG11 VAL C 70 27.306 2.449 -2.353 1.00 9.42 H new ATOM 0 HG12 VAL C 70 28.388 3.142 -3.584 1.00 9.42 H new ATOM 0 HG13 VAL C 70 28.610 1.459 -3.051 1.00 9.42 H new ATOM 0 HG21 VAL C 70 28.122 2.025 -0.073 1.00 5.79 H new ATOM 0 HG22 VAL C 70 29.472 1.032 -0.670 1.00 5.79 H new ATOM 0 HG23 VAL C 70 29.794 2.431 0.382 1.00 5.79 H new ATOM 1363 N PHE C 71 30.862 5.068 -3.348 1.00 8.43 N ATOM 1364 CA PHE C 71 30.941 5.906 -4.538 1.00 8.98 C ATOM 1365 C PHE C 71 32.078 5.449 -5.444 1.00 9.38 C ATOM 1366 O PHE C 71 31.847 5.001 -6.564 1.00 9.30 O ATOM 1367 CB PHE C 71 31.136 7.374 -4.156 1.00 9.60 C ATOM 1368 CG PHE C 71 31.350 8.266 -5.345 1.00 10.63 C ATOM 1369 CD1 PHE C 71 30.534 8.145 -6.478 1.00 10.84 C ATOM 1370 CD2 PHE C 71 32.373 9.224 -5.348 1.00 11.86 C ATOM 1371 CE1 PHE C 71 30.734 8.963 -7.593 1.00 12.04 C ATOM 1372 CE2 PHE C 71 32.576 10.047 -6.459 1.00 13.24 C ATOM 1373 CZ PHE C 71 31.756 9.915 -7.583 1.00 13.24 C ATOM 0 H PHE C 71 30.849 5.581 -2.466 1.00 8.43 H new ATOM 0 HA PHE C 71 30.000 5.808 -5.080 1.00 8.98 H new ATOM 0 HB2 PHE C 71 30.263 7.719 -3.603 1.00 9.60 H new ATOM 0 HB3 PHE C 71 31.992 7.459 -3.486 1.00 9.60 H new ATOM 0 HD1 PHE C 71 29.742 7.411 -6.489 1.00 10.84 H new ATOM 0 HD2 PHE C 71 33.011 9.327 -4.483 1.00 11.86 H new ATOM 0 HE1 PHE C 71 30.100 8.859 -8.461 1.00 12.04 H new ATOM 0 HE2 PHE C 71 33.365 10.784 -6.449 1.00 13.24 H new ATOM 0 HZ PHE C 71 31.912 10.549 -8.443 1.00 13.24 H new ATOM 1383 N ASP C 72 33.308 5.560 -4.952 1.00 9.88 N ATOM 1384 CA ASP C 72 34.476 5.150 -5.724 1.00 10.36 C ATOM 1385 C ASP C 72 34.292 3.737 -6.264 1.00 10.23 C ATOM 1386 O ASP C 72 34.640 3.448 -7.410 1.00 11.32 O ATOM 1387 CB ASP C 72 35.736 5.219 -4.861 1.00 10.70 C ATOM 1388 CG ASP C 72 36.328 6.615 -4.810 1.00 11.17 C ATOM 1389 OD1 ASP C 72 36.952 7.032 -5.808 1.00 13.07 O ATOM 1390 OD2 ASP C 72 36.166 7.290 -3.772 1.00 9.66 O ATOM 0 H ASP C 72 33.521 5.929 -4.025 1.00 9.88 H new ATOM 0 HA ASP C 72 34.587 5.834 -6.565 1.00 10.36 H new ATOM 0 HB2 ASP C 72 35.498 4.891 -3.849 1.00 10.70 H new ATOM 0 HB3 ASP C 72 36.480 4.526 -5.254 1.00 10.70 H new ATOM 1395 N THR C 73 33.734 2.861 -5.435 1.00 9.24 N ATOM 1396 CA THR C 73 33.495 1.480 -5.830 1.00 9.00 C ATOM 1397 C THR C 73 32.461 1.420 -6.949 1.00 10.22 C ATOM 1398 O THR C 73 32.790 1.121 -8.098 1.00 11.48 O ATOM 1399 CB THR C 73 33.023 0.656 -4.625 1.00 6.87 C ATOM 1400 OG1 THR C 73 34.076 0.483 -3.694 1.00 5.82 O ATOM 1401 CG2 THR C 73 32.504 -0.721 -4.992 1.00 5.66 C ATOM 0 H THR C 73 33.439 3.085 -4.485 1.00 9.24 H new ATOM 0 HA THR C 73 34.430 1.057 -6.197 1.00 9.00 H new ATOM 0 HB THR C 73 32.200 1.228 -4.196 1.00 6.87 H new ATOM 0 HG1 THR C 73 34.044 1.200 -3.027 1.00 5.82 H new ATOM 0 HG21 THR C 73 32.189 -1.244 -4.089 1.00 5.66 H new ATOM 0 HG22 THR C 73 31.655 -0.622 -5.669 1.00 5.66 H new ATOM 0 HG23 THR C 73 33.294 -1.289 -5.483 1.00 5.66 H new ATOM 1409 N LEU C 74 31.208 1.706 -6.607 1.00 10.17 N ATOM 1410 CA LEU C 74 30.126 1.685 -7.584 1.00 11.76 C ATOM 1411 C LEU C 74 30.476 2.526 -8.807 1.00 12.04 C ATOM 1412 O LEU C 74 30.103 2.190 -9.931 1.00 12.72 O ATOM 1413 CB LEU C 74 28.830 2.189 -6.948 1.00 12.21 C ATOM 1414 CG LEU C 74 28.269 1.298 -5.838 1.00 11.02 C ATOM 1415 CD1 LEU C 74 26.832 1.680 -5.528 1.00 13.35 C ATOM 1416 CD2 LEU C 74 28.360 -0.171 -6.231 1.00 9.36 C ATOM 0 H LEU C 74 30.918 1.955 -5.661 1.00 10.17 H new ATOM 0 HA LEU C 74 29.983 0.655 -7.911 1.00 11.76 H new ATOM 0 HB2 LEU C 74 29.005 3.185 -6.541 1.00 12.21 H new ATOM 0 HB3 LEU C 74 28.075 2.292 -7.728 1.00 12.21 H new ATOM 0 HG LEU C 74 28.868 1.448 -4.940 1.00 11.02 H new ATOM 0 HD11 LEU C 74 26.447 1.037 -4.736 1.00 13.35 H new ATOM 0 HD12 LEU C 74 26.794 2.719 -5.202 1.00 13.35 H new ATOM 0 HD13 LEU C 74 26.222 1.558 -6.423 1.00 13.35 H new ATOM 0 HD21 LEU C 74 27.956 -0.788 -5.428 1.00 9.36 H new ATOM 0 HD22 LEU C 74 27.787 -0.340 -7.142 1.00 9.36 H new ATOM 0 HD23 LEU C 74 29.403 -0.437 -6.404 1.00 9.36 H new ATOM 1428 N LYS C 75 31.199 3.615 -8.582 1.00 11.58 N ATOM 1429 CA LYS C 75 31.608 4.498 -9.669 1.00 11.84 C ATOM 1430 C LYS C 75 32.366 3.711 -10.728 1.00 12.80 C ATOM 1431 O LYS C 75 31.919 3.588 -11.868 1.00 14.00 O ATOM 1432 CB LYS C 75 32.489 5.630 -9.132 1.00 9.81 C ATOM 1433 CG LYS C 75 32.955 6.603 -10.203 1.00 10.47 C ATOM 1434 CD LYS C 75 33.003 8.029 -9.676 1.00 9.47 C ATOM 1435 CE LYS C 75 34.325 8.701 -10.002 1.00 8.39 C ATOM 1436 NZ LYS C 75 34.319 9.313 -11.360 1.00 9.04 N ATOM 0 H LYS C 75 31.515 3.909 -7.658 1.00 11.58 H new ATOM 0 HA LYS C 75 30.714 4.930 -10.119 1.00 11.84 H new ATOM 0 HB2 LYS C 75 31.935 6.179 -8.371 1.00 9.81 H new ATOM 0 HB3 LYS C 75 33.361 5.198 -8.642 1.00 9.81 H new ATOM 0 HG2 LYS C 75 33.944 6.311 -10.556 1.00 10.47 H new ATOM 0 HG3 LYS C 75 32.283 6.553 -11.060 1.00 10.47 H new ATOM 0 HD2 LYS C 75 32.185 8.605 -10.108 1.00 9.47 H new ATOM 0 HD3 LYS C 75 32.853 8.024 -8.596 1.00 9.47 H new ATOM 0 HE2 LYS C 75 34.534 9.470 -9.258 1.00 8.39 H new ATOM 0 HE3 LYS C 75 35.130 7.969 -9.938 1.00 8.39 H new ATOM 0 HZ1 LYS C 75 35.240 9.761 -11.543 1.00 9.04 H new ATOM 0 HZ2 LYS C 75 34.145 8.576 -12.072 1.00 9.04 H new ATOM 0 HZ3 LYS C 75 33.568 10.030 -11.414 1.00 9.04 H new ATOM 1450 N ASP C 76 33.514 3.177 -10.334 1.00 12.63 N ATOM 1451 CA ASP C 76 34.343 2.391 -11.239 1.00 14.02 C ATOM 1452 C ASP C 76 33.649 1.086 -11.616 1.00 15.80 C ATOM 1453 O ASP C 76 33.774 0.608 -12.744 1.00 17.63 O ATOM 1454 CB ASP C 76 35.699 2.093 -10.593 1.00 13.41 C ATOM 1455 CG ASP C 76 36.824 2.042 -11.608 1.00 14.66 C ATOM 1456 OD1 ASP C 76 36.528 1.952 -12.819 1.00 15.24 O ATOM 1457 OD2 ASP C 76 38.001 2.090 -11.194 1.00 15.23 O ATOM 0 H ASP C 76 33.893 3.274 -9.392 1.00 12.63 H new ATOM 0 HA ASP C 76 34.501 2.974 -12.147 1.00 14.02 H new ATOM 0 HB2 ASP C 76 35.920 2.858 -9.848 1.00 13.41 H new ATOM 0 HB3 ASP C 76 35.646 1.141 -10.066 1.00 13.41 H new ATOM 1462 N LEU C 77 32.913 0.514 -10.665 1.00 15.41 N ATOM 1463 CA LEU C 77 32.197 -0.734 -10.897 1.00 17.11 C ATOM 1464 C LEU C 77 31.164 -0.566 -12.009 1.00 19.48 C ATOM 1465 O LEU C 77 31.213 -1.259 -13.024 1.00 21.34 O ATOM 1466 CB LEU C 77 31.525 -1.198 -9.597 1.00 16.25 C ATOM 1467 CG LEU C 77 30.393 -2.218 -9.756 1.00 16.35 C ATOM 1468 CD1 LEU C 77 30.753 -3.268 -10.796 1.00 15.67 C ATOM 1469 CD2 LEU C 77 30.080 -2.874 -8.419 1.00 17.04 C ATOM 0 H LEU C 77 32.798 0.897 -9.727 1.00 15.41 H new ATOM 0 HA LEU C 77 32.910 -1.494 -11.215 1.00 17.11 H new ATOM 0 HB2 LEU C 77 32.289 -1.630 -8.950 1.00 16.25 H new ATOM 0 HB3 LEU C 77 31.129 -0.322 -9.083 1.00 16.25 H new ATOM 0 HG LEU C 77 29.503 -1.691 -10.101 1.00 16.35 H new ATOM 0 HD11 LEU C 77 29.934 -3.981 -10.891 1.00 15.67 H new ATOM 0 HD12 LEU C 77 30.926 -2.784 -11.757 1.00 15.67 H new ATOM 0 HD13 LEU C 77 31.657 -3.793 -10.486 1.00 15.67 H new ATOM 0 HD21 LEU C 77 29.274 -3.596 -8.548 1.00 17.04 H new ATOM 0 HD22 LEU C 77 30.968 -3.385 -8.047 1.00 17.04 H new ATOM 0 HD23 LEU C 77 29.773 -2.112 -7.703 1.00 17.04 H new ATOM 1481 N TYR C 78 30.233 0.361 -11.811 1.00 19.51 N ATOM 1482 CA TYR C 78 29.194 0.618 -12.801 1.00 21.78 C ATOM 1483 C TYR C 78 29.811 1.053 -14.127 1.00 22.67 C ATOM 1484 O TYR C 78 29.246 0.813 -15.194 1.00 23.25 O ATOM 1485 CB TYR C 78 28.227 1.693 -12.295 1.00 23.35 C ATOM 1486 CG TYR C 78 27.414 1.274 -11.086 1.00 23.53 C ATOM 1487 CD1 TYR C 78 27.274 -0.082 -10.737 1.00 23.65 C ATOM 1488 CD2 TYR C 78 26.776 2.236 -10.283 1.00 23.83 C ATOM 1489 CE1 TYR C 78 26.521 -0.466 -9.623 1.00 24.29 C ATOM 1490 CE2 TYR C 78 26.022 1.859 -9.168 1.00 24.21 C ATOM 1491 CZ TYR C 78 25.898 0.508 -8.843 1.00 24.54 C ATOM 1492 OH TYR C 78 25.155 0.133 -7.746 1.00 25.35 O ATOM 0 H TYR C 78 30.177 0.945 -10.977 1.00 19.51 H new ATOM 0 HA TYR C 78 28.640 -0.307 -12.961 1.00 21.78 H new ATOM 0 HB2 TYR C 78 28.795 2.589 -12.045 1.00 23.35 H new ATOM 0 HB3 TYR C 78 27.546 1.963 -13.102 1.00 23.35 H new ATOM 0 HD1 TYR C 78 27.756 -0.838 -11.339 1.00 23.65 H new ATOM 0 HD2 TYR C 78 26.870 3.283 -10.532 1.00 23.83 H new ATOM 0 HE1 TYR C 78 26.422 -1.511 -9.368 1.00 24.29 H new ATOM 0 HE2 TYR C 78 25.538 2.610 -8.561 1.00 24.21 H new ATOM 0 HH TYR C 78 24.231 -0.044 -8.021 1.00 25.35 H new ATOM 1502 N LYS C 79 30.976 1.688 -14.050 1.00 22.86 N ATOM 1503 CA LYS C 79 31.674 2.149 -15.245 1.00 23.83 C ATOM 1504 C LYS C 79 32.173 0.965 -16.068 1.00 23.75 C ATOM 1505 O LYS C 79 32.306 1.055 -17.288 1.00 23.44 O ATOM 1506 CB LYS C 79 32.850 3.049 -14.860 1.00 22.42 C ATOM 1507 CG LYS C 79 32.556 4.533 -15.014 1.00 24.16 C ATOM 1508 CD LYS C 79 33.830 5.336 -15.227 1.00 24.66 C ATOM 1509 CE LYS C 79 33.522 6.775 -15.606 1.00 25.45 C ATOM 1510 NZ LYS C 79 34.763 7.580 -15.788 1.00 25.96 N ATOM 0 H LYS C 79 31.456 1.895 -13.174 1.00 22.86 H new ATOM 0 HA LYS C 79 30.972 2.722 -15.850 1.00 23.83 H new ATOM 0 HB2 LYS C 79 33.128 2.847 -13.825 1.00 22.42 H new ATOM 0 HB3 LYS C 79 33.711 2.792 -15.477 1.00 22.42 H new ATOM 0 HG2 LYS C 79 31.883 4.686 -15.858 1.00 24.16 H new ATOM 0 HG3 LYS C 79 32.040 4.897 -14.125 1.00 24.16 H new ATOM 0 HD2 LYS C 79 34.429 5.318 -14.317 1.00 24.66 H new ATOM 0 HD3 LYS C 79 34.428 4.872 -16.011 1.00 24.66 H new ATOM 0 HE2 LYS C 79 32.941 6.791 -16.528 1.00 25.45 H new ATOM 0 HE3 LYS C 79 32.904 7.230 -14.832 1.00 25.45 H new ATOM 0 HZ1 LYS C 79 34.510 8.555 -16.046 1.00 25.96 H new ATOM 0 HZ2 LYS C 79 35.306 7.586 -14.901 1.00 25.96 H new ATOM 0 HZ3 LYS C 79 35.341 7.161 -16.544 1.00 25.96 H new ATOM 1524 N LYS C 80 32.446 -0.145 -15.389 1.00 24.17 N ATOM 1525 CA LYS C 80 32.929 -1.349 -16.054 1.00 24.42 C ATOM 1526 C LYS C 80 31.868 -1.918 -16.988 1.00 27.26 C ATOM 1527 O LYS C 80 32.155 -2.264 -18.135 1.00 27.99 O ATOM 1528 CB LYS C 80 33.331 -2.401 -15.019 1.00 23.61 C ATOM 1529 CG LYS C 80 34.556 -3.207 -15.415 1.00 22.96 C ATOM 1530 CD LYS C 80 34.617 -4.531 -14.671 1.00 24.06 C ATOM 1531 CE LYS C 80 35.629 -5.476 -15.296 1.00 24.98 C ATOM 1532 NZ LYS C 80 36.415 -6.209 -14.267 1.00 25.25 N ATOM 0 H LYS C 80 32.341 -0.235 -14.378 1.00 24.17 H new ATOM 0 HA LYS C 80 33.803 -1.080 -16.648 1.00 24.42 H new ATOM 0 HB2 LYS C 80 33.524 -1.907 -14.067 1.00 23.61 H new ATOM 0 HB3 LYS C 80 32.494 -3.081 -14.861 1.00 23.61 H new ATOM 0 HG2 LYS C 80 34.539 -3.393 -16.489 1.00 22.96 H new ATOM 0 HG3 LYS C 80 35.456 -2.629 -15.206 1.00 22.96 H new ATOM 0 HD2 LYS C 80 34.881 -4.352 -13.629 1.00 24.06 H new ATOM 0 HD3 LYS C 80 33.632 -4.997 -14.675 1.00 24.06 H new ATOM 0 HE2 LYS C 80 35.111 -6.192 -15.935 1.00 24.98 H new ATOM 0 HE3 LYS C 80 36.307 -4.910 -15.935 1.00 24.98 H new ATOM 0 HZ1 LYS C 80 37.094 -6.843 -14.735 1.00 25.25 H new ATOM 0 HZ2 LYS C 80 36.930 -5.528 -13.673 1.00 25.25 H new ATOM 0 HZ3 LYS C 80 35.771 -6.769 -13.672 1.00 25.25 H new ATOM 1546 N THR C 81 30.642 -2.012 -16.489 1.00 28.86 N ATOM 1547 CA THR C 81 29.533 -2.539 -17.275 1.00 31.62 C ATOM 1548 C THR C 81 29.443 -1.841 -18.627 1.00 32.44 C ATOM 1549 O THR C 81 29.868 -2.384 -19.648 1.00 31.79 O ATOM 1550 CB THR C 81 28.217 -2.373 -16.514 1.00 32.86 C ATOM 1551 OG1 THR C 81 27.964 -1.006 -16.244 1.00 31.90 O ATOM 1552 CG2 THR C 81 28.191 -3.113 -15.194 1.00 33.05 C ATOM 0 H THR C 81 30.390 -1.730 -15.542 1.00 28.86 H new ATOM 0 HA THR C 81 29.715 -3.600 -17.446 1.00 31.62 H new ATOM 0 HB THR C 81 27.452 -2.796 -17.165 1.00 32.86 H new ATOM 0 HG1 THR C 81 28.652 -0.659 -15.638 1.00 31.90 H new ATOM 0 HG21 THR C 81 27.230 -2.953 -14.706 1.00 33.05 H new ATOM 0 HG22 THR C 81 28.335 -4.179 -15.371 1.00 33.05 H new ATOM 0 HG23 THR C 81 28.990 -2.741 -14.552 1.00 33.05 H new ATOM 1616 N ASP D 54 25.594 6.946 -17.312 1.00 33.32 N ATOM 1617 CA ASP D 54 24.617 6.600 -16.285 1.00 31.56 C ATOM 1618 C ASP D 54 25.298 5.948 -15.086 1.00 30.40 C ATOM 1619 O ASP D 54 24.783 5.990 -13.968 1.00 29.92 O ATOM 1620 CB ASP D 54 23.555 5.658 -16.858 1.00 32.14 C ATOM 1621 CG ASP D 54 22.397 6.409 -17.485 1.00 31.88 C ATOM 1622 OD1 ASP D 54 22.009 7.464 -16.941 1.00 30.92 O ATOM 1623 OD2 ASP D 54 21.879 5.942 -18.521 1.00 32.79 O ATOM 0 HA ASP D 54 24.135 7.519 -15.952 1.00 31.56 H new ATOM 0 HB2 ASP D 54 24.013 5.010 -17.606 1.00 32.14 H new ATOM 0 HB3 ASP D 54 23.179 5.012 -16.064 1.00 32.14 H new ATOM 1628 N ALA D 55 26.459 5.346 -15.325 1.00 30.06 N ATOM 1629 CA ALA D 55 27.212 4.687 -14.265 1.00 29.05 C ATOM 1630 C ALA D 55 27.510 5.650 -13.122 1.00 27.98 C ATOM 1631 O ALA D 55 27.346 5.310 -11.950 1.00 26.80 O ATOM 1632 CB ALA D 55 28.504 4.107 -14.819 1.00 29.68 C ATOM 0 H ALA D 55 26.899 5.301 -16.244 1.00 30.06 H new ATOM 0 HA ALA D 55 26.601 3.875 -13.870 1.00 29.05 H new ATOM 0 HB1 ALA D 55 29.057 3.618 -14.017 1.00 29.68 H new ATOM 0 HB2 ALA D 55 28.272 3.379 -15.596 1.00 29.68 H new ATOM 0 HB3 ALA D 55 29.111 4.908 -15.241 1.00 29.68 H new ATOM 1638 N GLU D 56 27.949 6.857 -13.469 1.00 28.47 N ATOM 1639 CA GLU D 56 28.269 7.870 -12.470 1.00 27.59 C ATOM 1640 C GLU D 56 27.038 8.224 -11.643 1.00 26.94 C ATOM 1641 O GLU D 56 27.098 8.274 -10.414 1.00 27.64 O ATOM 1642 CB GLU D 56 28.826 9.124 -13.145 1.00 28.30 C ATOM 1643 CG GLU D 56 29.802 9.901 -12.278 1.00 30.12 C ATOM 1644 CD GLU D 56 29.177 11.136 -11.658 1.00 29.86 C ATOM 1645 OE1 GLU D 56 28.705 12.007 -12.418 1.00 31.24 O ATOM 1646 OE2 GLU D 56 29.159 11.230 -10.412 1.00 28.36 O ATOM 0 H GLU D 56 28.091 7.156 -14.434 1.00 28.47 H new ATOM 0 HA GLU D 56 29.027 7.461 -11.802 1.00 27.59 H new ATOM 0 HB2 GLU D 56 29.325 8.837 -14.071 1.00 28.30 H new ATOM 0 HB3 GLU D 56 27.997 9.777 -13.419 1.00 28.30 H new ATOM 0 HG2 GLU D 56 30.176 9.251 -11.487 1.00 30.12 H new ATOM 0 HG3 GLU D 56 30.661 10.197 -12.880 1.00 30.12 H new ATOM 1653 N ARG D 57 25.923 8.469 -12.324 1.00 25.79 N ATOM 1654 CA ARG D 57 24.677 8.818 -11.651 1.00 25.36 C ATOM 1655 C ARG D 57 24.252 7.713 -10.691 1.00 23.65 C ATOM 1656 O ARG D 57 23.783 7.982 -9.585 1.00 23.58 O ATOM 1657 CB ARG D 57 23.571 9.071 -12.678 1.00 25.31 C ATOM 1658 CG ARG D 57 23.560 10.490 -13.225 1.00 25.32 C ATOM 1659 CD ARG D 57 22.661 11.398 -12.401 1.00 25.19 C ATOM 1660 NE ARG D 57 21.255 11.019 -12.506 1.00 24.31 N ATOM 1661 CZ ARG D 57 20.292 11.551 -11.758 1.00 23.01 C ATOM 1662 NH1 ARG D 57 20.585 12.479 -10.858 1.00 22.46 N ATOM 1663 NH2 ARG D 57 19.036 11.154 -11.912 1.00 22.44 N ATOM 0 H ARG D 57 25.857 8.432 -13.341 1.00 25.79 H new ATOM 0 HA ARG D 57 24.845 9.730 -11.077 1.00 25.36 H new ATOM 0 HB2 ARG D 57 23.689 8.372 -13.506 1.00 25.31 H new ATOM 0 HB3 ARG D 57 22.605 8.860 -12.219 1.00 25.31 H new ATOM 0 HG2 ARG D 57 24.575 10.887 -13.229 1.00 25.32 H new ATOM 0 HG3 ARG D 57 23.218 10.479 -14.260 1.00 25.32 H new ATOM 0 HD2 ARG D 57 22.969 11.361 -11.356 1.00 25.19 H new ATOM 0 HD3 ARG D 57 22.784 12.429 -12.734 1.00 25.19 H new ATOM 0 HE ARG D 57 20.997 10.308 -13.190 1.00 24.31 H new ATOM 0 HH11 ARG D 57 21.550 12.786 -10.738 1.00 22.46 H new ATOM 0 HH12 ARG D 57 19.845 12.886 -10.285 1.00 22.46 H new ATOM 0 HH21 ARG D 57 18.808 10.440 -12.604 1.00 22.44 H new ATOM 0 HH22 ARG D 57 18.298 11.562 -11.338 1.00 22.44 H new ATOM 1677 N LEU D 58 24.419 6.469 -11.123 1.00 22.37 N ATOM 1678 CA LEU D 58 24.054 5.319 -10.305 1.00 20.95 C ATOM 1679 C LEU D 58 24.862 5.291 -9.015 1.00 19.16 C ATOM 1680 O LEU D 58 24.303 5.284 -7.918 1.00 17.25 O ATOM 1681 CB LEU D 58 24.277 4.022 -11.084 1.00 21.82 C ATOM 1682 CG LEU D 58 23.346 3.814 -12.278 1.00 21.87 C ATOM 1683 CD1 LEU D 58 23.811 2.637 -13.120 1.00 21.18 C ATOM 1684 CD2 LEU D 58 21.915 3.603 -11.805 1.00 21.80 C ATOM 0 H LEU D 58 24.805 6.231 -12.036 1.00 22.37 H new ATOM 0 HA LEU D 58 22.998 5.407 -10.051 1.00 20.95 H new ATOM 0 HB2 LEU D 58 25.307 4.002 -11.439 1.00 21.82 H new ATOM 0 HB3 LEU D 58 24.159 3.181 -10.400 1.00 21.82 H new ATOM 0 HG LEU D 58 23.375 4.710 -12.898 1.00 21.87 H new ATOM 0 HD11 LEU D 58 23.135 2.505 -13.965 1.00 21.18 H new ATOM 0 HD12 LEU D 58 24.819 2.828 -13.488 1.00 21.18 H new ATOM 0 HD13 LEU D 58 23.812 1.732 -12.512 1.00 21.18 H new ATOM 0 HD21 LEU D 58 21.265 3.456 -12.667 1.00 21.80 H new ATOM 0 HD22 LEU D 58 21.870 2.723 -11.163 1.00 21.80 H new ATOM 0 HD23 LEU D 58 21.584 4.478 -11.246 1.00 21.80 H new ATOM 1696 N ALA D 59 26.181 5.274 -9.156 1.00 19.96 N ATOM 1697 CA ALA D 59 27.077 5.247 -8.004 1.00 18.60 C ATOM 1698 C ALA D 59 26.674 6.293 -6.971 1.00 17.58 C ATOM 1699 O ALA D 59 26.860 6.100 -5.770 1.00 17.99 O ATOM 1700 CB ALA D 59 28.515 5.468 -8.449 1.00 18.97 C ATOM 0 H ALA D 59 26.656 5.278 -10.058 1.00 19.96 H new ATOM 0 HA ALA D 59 27.000 4.265 -7.537 1.00 18.60 H new ATOM 0 HB1 ALA D 59 29.172 5.445 -7.580 1.00 18.97 H new ATOM 0 HB2 ALA D 59 28.806 4.681 -9.144 1.00 18.97 H new ATOM 0 HB3 ALA D 59 28.599 6.437 -8.942 1.00 18.97 H new ATOM 1706 N ASP D 60 26.116 7.400 -7.450 1.00 16.48 N ATOM 1707 CA ASP D 60 25.682 8.477 -6.569 1.00 15.56 C ATOM 1708 C ASP D 60 24.374 8.113 -5.876 1.00 12.70 C ATOM 1709 O ASP D 60 24.275 8.161 -4.650 1.00 11.87 O ATOM 1710 CB ASP D 60 25.510 9.774 -7.363 1.00 16.10 C ATOM 1711 CG ASP D 60 25.156 10.953 -6.478 1.00 16.92 C ATOM 1712 OD1 ASP D 60 25.974 11.305 -5.602 1.00 17.27 O ATOM 1713 OD2 ASP D 60 24.060 11.523 -6.658 1.00 17.26 O ATOM 0 H ASP D 60 25.954 7.574 -8.442 1.00 16.48 H new ATOM 0 HA ASP D 60 26.448 8.625 -5.808 1.00 15.56 H new ATOM 0 HB2 ASP D 60 26.432 9.992 -7.901 1.00 16.10 H new ATOM 0 HB3 ASP D 60 24.729 9.638 -8.111 1.00 16.10 H new ATOM 1718 N GLU D 61 23.375 7.744 -6.670 1.00 11.57 N ATOM 1719 CA GLU D 61 22.072 7.366 -6.135 1.00 8.85 C ATOM 1720 C GLU D 61 22.197 6.162 -5.207 1.00 8.44 C ATOM 1721 O GLU D 61 21.473 6.048 -4.219 1.00 7.40 O ATOM 1722 CB GLU D 61 21.102 7.053 -7.275 1.00 8.01 C ATOM 1723 CG GLU D 61 20.638 8.286 -8.034 1.00 9.94 C ATOM 1724 CD GLU D 61 19.280 8.777 -7.574 1.00 9.15 C ATOM 1725 OE1 GLU D 61 19.093 8.943 -6.350 1.00 6.96 O ATOM 1726 OE2 GLU D 61 18.404 8.996 -8.436 1.00 11.04 O ATOM 0 H GLU D 61 23.443 7.699 -7.687 1.00 11.57 H new ATOM 0 HA GLU D 61 21.682 8.206 -5.559 1.00 8.85 H new ATOM 0 HB2 GLU D 61 21.583 6.367 -7.972 1.00 8.01 H new ATOM 0 HB3 GLU D 61 20.232 6.537 -6.869 1.00 8.01 H new ATOM 0 HG2 GLU D 61 21.370 9.083 -7.907 1.00 9.94 H new ATOM 0 HG3 GLU D 61 20.596 8.058 -9.099 1.00 9.94 H new ATOM 1733 N GLN D 62 23.123 5.265 -5.533 1.00 9.68 N ATOM 1734 CA GLN D 62 23.348 4.070 -4.730 1.00 9.50 C ATOM 1735 C GLN D 62 24.135 4.403 -3.466 1.00 10.65 C ATOM 1736 O GLN D 62 23.786 3.959 -2.372 1.00 10.91 O ATOM 1737 CB GLN D 62 24.098 3.021 -5.552 1.00 8.84 C ATOM 1738 CG GLN D 62 23.206 2.208 -6.482 1.00 7.96 C ATOM 1739 CD GLN D 62 22.097 3.026 -7.121 1.00 6.12 C ATOM 1740 OE1 GLN D 62 21.327 3.695 -6.433 1.00 5.85 O ATOM 1741 NE2 GLN D 62 22.009 2.970 -8.444 1.00 5.86 N ATOM 0 H GLN D 62 23.730 5.344 -6.349 1.00 9.68 H new ATOM 0 HA GLN D 62 22.379 3.669 -4.434 1.00 9.50 H new ATOM 0 HB2 GLN D 62 24.865 3.519 -6.145 1.00 8.84 H new ATOM 0 HB3 GLN D 62 24.612 2.341 -4.872 1.00 8.84 H new ATOM 0 HG2 GLN D 62 23.819 1.765 -7.267 1.00 7.96 H new ATOM 0 HG3 GLN D 62 22.763 1.385 -5.921 1.00 7.96 H new ATOM 0 HE21 GLN D 62 22.669 2.402 -8.975 1.00 5.86 H new ATOM 0 HE22 GLN D 62 21.281 3.495 -8.929 1.00 5.86 H new ATOM 1750 N SER D 63 25.196 5.191 -3.621 1.00 11.47 N ATOM 1751 CA SER D 63 26.024 5.583 -2.488 1.00 12.62 C ATOM 1752 C SER D 63 25.214 6.397 -1.486 1.00 11.77 C ATOM 1753 O SER D 63 25.178 6.080 -0.297 1.00 10.46 O ATOM 1754 CB SER D 63 27.232 6.392 -2.964 1.00 15.65 C ATOM 1755 OG SER D 63 26.825 7.544 -3.682 1.00 16.67 O ATOM 0 H SER D 63 25.501 5.569 -4.518 1.00 11.47 H new ATOM 0 HA SER D 63 26.378 4.677 -1.996 1.00 12.62 H new ATOM 0 HB2 SER D 63 27.835 6.689 -2.106 1.00 15.65 H new ATOM 0 HB3 SER D 63 27.864 5.769 -3.598 1.00 15.65 H new ATOM 0 HG SER D 63 26.358 7.272 -4.499 1.00 16.67 H new ATOM 1761 N GLU D 64 24.557 7.444 -1.975 1.00 12.95 N ATOM 1762 CA GLU D 64 23.742 8.299 -1.126 1.00 13.31 C ATOM 1763 C GLU D 64 22.718 7.472 -0.356 1.00 10.92 C ATOM 1764 O GLU D 64 22.432 7.746 0.809 1.00 11.09 O ATOM 1765 CB GLU D 64 23.034 9.357 -1.971 1.00 15.23 C ATOM 1766 CG GLU D 64 21.940 8.793 -2.863 1.00 14.31 C ATOM 1767 CD GLU D 64 20.627 8.604 -2.130 1.00 14.59 C ATOM 1768 OE1 GLU D 64 20.478 9.169 -1.026 1.00 14.60 O ATOM 1769 OE2 GLU D 64 19.747 7.894 -2.661 1.00 14.93 O ATOM 0 H GLU D 64 24.575 7.719 -2.957 1.00 12.95 H new ATOM 0 HA GLU D 64 24.395 8.796 -0.408 1.00 13.31 H new ATOM 0 HB2 GLU D 64 22.601 10.108 -1.310 1.00 15.23 H new ATOM 0 HB3 GLU D 64 23.771 9.866 -2.592 1.00 15.23 H new ATOM 0 HG2 GLU D 64 21.786 9.462 -3.709 1.00 14.31 H new ATOM 0 HG3 GLU D 64 22.266 7.835 -3.269 1.00 14.31 H new ATOM 1776 N LEU D 65 22.174 6.456 -1.017 1.00 9.34 N ATOM 1777 CA LEU D 65 21.186 5.584 -0.395 1.00 7.37 C ATOM 1778 C LEU D 65 21.782 4.871 0.813 1.00 5.79 C ATOM 1779 O LEU D 65 21.135 4.744 1.853 1.00 4.90 O ATOM 1780 CB LEU D 65 20.670 4.558 -1.408 1.00 8.01 C ATOM 1781 CG LEU D 65 19.164 4.296 -1.353 1.00 9.19 C ATOM 1782 CD1 LEU D 65 18.623 4.005 -2.744 1.00 9.91 C ATOM 1783 CD2 LEU D 65 18.858 3.144 -0.408 1.00 8.15 C ATOM 0 H LEU D 65 22.401 6.217 -1.982 1.00 9.34 H new ATOM 0 HA LEU D 65 20.351 6.199 -0.058 1.00 7.37 H new ATOM 0 HB2 LEU D 65 20.928 4.899 -2.411 1.00 8.01 H new ATOM 0 HB3 LEU D 65 21.194 3.616 -1.247 1.00 8.01 H new ATOM 0 HG LEU D 65 18.672 5.191 -0.974 1.00 9.19 H new ATOM 0 HD11 LEU D 65 17.550 3.821 -2.686 1.00 9.91 H new ATOM 0 HD12 LEU D 65 18.810 4.860 -3.393 1.00 9.91 H new ATOM 0 HD13 LEU D 65 19.121 3.125 -3.151 1.00 9.91 H new ATOM 0 HD21 LEU D 65 17.782 2.971 -0.381 1.00 8.15 H new ATOM 0 HD22 LEU D 65 19.361 2.243 -0.758 1.00 8.15 H new ATOM 0 HD23 LEU D 65 19.211 3.391 0.593 1.00 8.15 H new ATOM 1795 N VAL D 66 23.022 4.411 0.672 1.00 6.19 N ATOM 1796 CA VAL D 66 23.704 3.715 1.755 1.00 6.26 C ATOM 1797 C VAL D 66 23.879 4.624 2.966 1.00 6.65 C ATOM 1798 O VAL D 66 23.753 4.185 4.109 1.00 6.86 O ATOM 1799 CB VAL D 66 25.085 3.199 1.314 1.00 7.27 C ATOM 1800 CG1 VAL D 66 25.596 2.144 2.282 1.00 8.04 C ATOM 1801 CG2 VAL D 66 25.023 2.646 -0.103 1.00 7.54 C ATOM 0 H VAL D 66 23.573 4.508 -0.181 1.00 6.19 H new ATOM 0 HA VAL D 66 23.078 2.865 2.026 1.00 6.26 H new ATOM 0 HB VAL D 66 25.783 4.036 1.323 1.00 7.27 H new ATOM 0 HG11 VAL D 66 26.574 1.791 1.953 1.00 8.04 H new ATOM 0 HG12 VAL D 66 25.683 2.576 3.279 1.00 8.04 H new ATOM 0 HG13 VAL D 66 24.899 1.307 2.309 1.00 8.04 H new ATOM 0 HG21 VAL D 66 26.009 2.286 -0.397 1.00 7.54 H new ATOM 0 HG22 VAL D 66 24.310 1.822 -0.141 1.00 7.54 H new ATOM 0 HG23 VAL D 66 24.705 3.433 -0.787 1.00 7.54 H new ATOM 1811 N LYS D 67 24.170 5.894 2.706 1.00 7.31 N ATOM 1812 CA LYS D 67 24.363 6.868 3.774 1.00 7.89 C ATOM 1813 C LYS D 67 23.131 6.943 4.670 1.00 7.28 C ATOM 1814 O LYS D 67 23.208 6.687 5.871 1.00 7.38 O ATOM 1815 CB LYS D 67 24.665 8.249 3.189 1.00 8.64 C ATOM 1816 CG LYS D 67 25.460 9.146 4.124 1.00 11.42 C ATOM 1817 CD LYS D 67 25.628 10.543 3.548 1.00 11.93 C ATOM 1818 CE LYS D 67 24.816 11.567 4.325 1.00 13.51 C ATOM 1819 NZ LYS D 67 23.364 11.479 4.010 1.00 12.04 N ATOM 0 H LYS D 67 24.277 6.273 1.765 1.00 7.31 H new ATOM 0 HA LYS D 67 25.212 6.544 4.376 1.00 7.89 H new ATOM 0 HB2 LYS D 67 25.219 8.127 2.258 1.00 8.64 H new ATOM 0 HB3 LYS D 67 23.725 8.741 2.938 1.00 8.64 H new ATOM 0 HG2 LYS D 67 24.955 9.207 5.088 1.00 11.42 H new ATOM 0 HG3 LYS D 67 26.441 8.706 4.305 1.00 11.42 H new ATOM 0 HD2 LYS D 67 26.682 10.822 3.568 1.00 11.93 H new ATOM 0 HD3 LYS D 67 25.317 10.547 2.503 1.00 11.93 H new ATOM 0 HE2 LYS D 67 24.966 11.414 5.394 1.00 13.51 H new ATOM 0 HE3 LYS D 67 25.178 12.569 4.093 1.00 13.51 H new ATOM 0 HZ1 LYS D 67 22.846 12.193 4.560 1.00 12.04 H new ATOM 0 HZ2 LYS D 67 23.218 11.651 2.995 1.00 12.04 H new ATOM 0 HZ3 LYS D 67 23.012 10.531 4.255 1.00 12.04 H new ATOM 1833 N LYS D 68 21.995 7.295 4.076 1.00 7.45 N ATOM 1834 CA LYS D 68 20.747 7.401 4.821 1.00 7.49 C ATOM 1835 C LYS D 68 20.463 6.114 5.588 1.00 7.75 C ATOM 1836 O LYS D 68 19.912 6.143 6.688 1.00 8.05 O ATOM 1837 CB LYS D 68 19.588 7.709 3.871 1.00 6.77 C ATOM 1838 CG LYS D 68 19.655 9.102 3.266 1.00 7.03 C ATOM 1839 CD LYS D 68 18.284 9.758 3.226 1.00 8.41 C ATOM 1840 CE LYS D 68 17.695 9.729 1.825 1.00 8.01 C ATOM 1841 NZ LYS D 68 17.024 8.432 1.532 1.00 8.14 N ATOM 0 H LYS D 68 21.914 7.511 3.082 1.00 7.45 H new ATOM 0 HA LYS D 68 20.847 8.216 5.538 1.00 7.49 H new ATOM 0 HB2 LYS D 68 19.581 6.972 3.068 1.00 6.77 H new ATOM 0 HB3 LYS D 68 18.647 7.601 4.411 1.00 6.77 H new ATOM 0 HG2 LYS D 68 20.339 9.720 3.848 1.00 7.03 H new ATOM 0 HG3 LYS D 68 20.061 9.042 2.256 1.00 7.03 H new ATOM 0 HD2 LYS D 68 17.613 9.245 3.915 1.00 8.41 H new ATOM 0 HD3 LYS D 68 18.363 10.790 3.568 1.00 8.41 H new ATOM 0 HE2 LYS D 68 16.977 10.542 1.716 1.00 8.01 H new ATOM 0 HE3 LYS D 68 18.486 9.902 1.095 1.00 8.01 H new ATOM 0 HZ1 LYS D 68 16.636 8.452 0.567 1.00 8.14 H new ATOM 0 HZ2 LYS D 68 17.714 7.658 1.611 1.00 8.14 H new ATOM 0 HZ3 LYS D 68 16.253 8.279 2.213 1.00 8.14 H new ATOM 1855 N MET D 69 20.847 4.985 5.001 1.00 7.83 N ATOM 1856 CA MET D 69 20.637 3.687 5.628 1.00 8.29 C ATOM 1857 C MET D 69 21.493 3.549 6.883 1.00 9.24 C ATOM 1858 O MET D 69 21.001 3.171 7.947 1.00 11.02 O ATOM 1859 CB MET D 69 20.971 2.563 4.645 1.00 7.53 C ATOM 1860 CG MET D 69 20.809 1.172 5.231 1.00 8.62 C ATOM 1861 SD MET D 69 21.814 -0.060 4.381 1.00 7.49 S ATOM 1862 CE MET D 69 23.461 0.571 4.695 1.00 5.44 C ATOM 0 H MET D 69 21.306 4.944 4.091 1.00 7.83 H new ATOM 0 HA MET D 69 19.587 3.612 5.912 1.00 8.29 H new ATOM 0 HB2 MET D 69 20.329 2.656 3.769 1.00 7.53 H new ATOM 0 HB3 MET D 69 21.998 2.686 4.302 1.00 7.53 H new ATOM 0 HG2 MET D 69 21.081 1.192 6.286 1.00 8.62 H new ATOM 0 HG3 MET D 69 19.760 0.879 5.178 1.00 8.62 H new ATOM 0 HE1 MET D 69 24.197 -0.197 4.455 1.00 5.44 H new ATOM 0 HE2 MET D 69 23.638 1.450 4.075 1.00 5.44 H new ATOM 0 HE3 MET D 69 23.552 0.844 5.746 1.00 5.44 H new ATOM 1872 N VAL D 70 22.779 3.861 6.749 1.00 8.33 N ATOM 1873 CA VAL D 70 23.706 3.775 7.869 1.00 9.04 C ATOM 1874 C VAL D 70 23.481 4.915 8.857 1.00 10.71 C ATOM 1875 O VAL D 70 23.751 4.777 10.050 1.00 10.91 O ATOM 1876 CB VAL D 70 25.170 3.799 7.383 1.00 8.87 C ATOM 1877 CG1 VAL D 70 26.131 3.758 8.562 1.00 8.37 C ATOM 1878 CG2 VAL D 70 25.432 2.639 6.433 1.00 8.68 C ATOM 0 H VAL D 70 23.201 4.175 5.875 1.00 8.33 H new ATOM 0 HA VAL D 70 23.516 2.827 8.372 1.00 9.04 H new ATOM 0 HB VAL D 70 25.338 4.731 6.844 1.00 8.87 H new ATOM 0 HG11 VAL D 70 27.157 3.776 8.196 1.00 8.37 H new ATOM 0 HG12 VAL D 70 25.959 4.624 9.202 1.00 8.37 H new ATOM 0 HG13 VAL D 70 25.966 2.845 9.134 1.00 8.37 H new ATOM 0 HG21 VAL D 70 26.469 2.670 6.099 1.00 8.68 H new ATOM 0 HG22 VAL D 70 25.244 1.697 6.948 1.00 8.68 H new ATOM 0 HG23 VAL D 70 24.770 2.719 5.570 1.00 8.68 H new ATOM 1888 N PHE D 71 22.982 6.040 8.354 1.00 12.38 N ATOM 1889 CA PHE D 71 22.717 7.200 9.197 1.00 14.12 C ATOM 1890 C PHE D 71 21.654 6.877 10.240 1.00 16.85 C ATOM 1891 O PHE D 71 21.778 7.254 11.405 1.00 18.27 O ATOM 1892 CB PHE D 71 22.267 8.387 8.343 1.00 14.38 C ATOM 1893 CG PHE D 71 22.142 9.668 9.119 1.00 13.81 C ATOM 1894 CD1 PHE D 71 20.995 9.932 9.881 1.00 14.88 C ATOM 1895 CD2 PHE D 71 23.171 10.621 9.093 1.00 12.49 C ATOM 1896 CE1 PHE D 71 20.876 11.123 10.603 1.00 14.40 C ATOM 1897 CE2 PHE D 71 23.057 11.813 9.813 1.00 12.09 C ATOM 1898 CZ PHE D 71 21.909 12.065 10.569 1.00 12.90 C ATOM 0 H PHE D 71 22.754 6.173 7.369 1.00 12.38 H new ATOM 0 HA PHE D 71 23.641 7.464 9.712 1.00 14.12 H new ATOM 0 HB2 PHE D 71 22.979 8.531 7.531 1.00 14.38 H new ATOM 0 HB3 PHE D 71 21.306 8.152 7.886 1.00 14.38 H new ATOM 0 HD1 PHE D 71 20.195 9.207 9.910 1.00 14.88 H new ATOM 0 HD2 PHE D 71 24.060 10.431 8.510 1.00 12.49 H new ATOM 0 HE1 PHE D 71 19.988 11.315 11.186 1.00 14.40 H new ATOM 0 HE2 PHE D 71 23.856 12.539 9.785 1.00 12.09 H new ATOM 0 HZ PHE D 71 21.820 12.986 11.126 1.00 12.90 H new ATOM 1908 N ASP D 72 20.611 6.172 9.814 1.00 17.83 N ATOM 1909 CA ASP D 72 19.528 5.793 10.712 1.00 20.41 C ATOM 1910 C ASP D 72 20.030 4.846 11.795 1.00 20.45 C ATOM 1911 O ASP D 72 19.811 5.075 12.986 1.00 20.42 O ATOM 1912 CB ASP D 72 18.393 5.131 9.927 1.00 21.50 C ATOM 1913 CG ASP D 72 17.346 6.130 9.470 1.00 22.62 C ATOM 1914 OD1 ASP D 72 17.342 7.264 9.990 1.00 22.44 O ATOM 1915 OD2 ASP D 72 16.532 5.776 8.592 1.00 23.84 O ATOM 0 H ASP D 72 20.494 5.852 8.853 1.00 17.83 H new ATOM 0 HA ASP D 72 19.151 6.698 11.189 1.00 20.41 H new ATOM 0 HB2 ASP D 72 18.806 4.619 9.058 1.00 21.50 H new ATOM 0 HB3 ASP D 72 17.919 4.371 10.549 1.00 21.50 H new ATOM 1920 N THR D 73 20.708 3.782 11.377 1.00 20.65 N ATOM 1921 CA THR D 73 21.245 2.802 12.313 1.00 20.87 C ATOM 1922 C THR D 73 22.151 3.472 13.342 1.00 22.48 C ATOM 1923 O THR D 73 22.006 3.255 14.546 1.00 24.02 O ATOM 1924 CB THR D 73 22.020 1.718 11.560 1.00 18.77 C ATOM 1925 OG1 THR D 73 21.151 0.959 10.738 1.00 19.46 O ATOM 1926 CG2 THR D 73 22.747 0.755 12.472 1.00 18.53 C ATOM 0 H THR D 73 20.898 3.577 10.396 1.00 20.65 H new ATOM 0 HA THR D 73 20.409 2.341 12.839 1.00 20.87 H new ATOM 0 HB THR D 73 22.759 2.255 10.965 1.00 18.77 H new ATOM 0 HG1 THR D 73 21.331 1.162 9.796 1.00 19.46 H new ATOM 0 HG21 THR D 73 23.275 0.014 11.872 1.00 18.53 H new ATOM 0 HG22 THR D 73 23.463 1.304 13.084 1.00 18.53 H new ATOM 0 HG23 THR D 73 22.027 0.253 13.119 1.00 18.53 H new ATOM 1934 N LEU D 74 23.085 4.286 12.860 1.00 22.22 N ATOM 1935 CA LEU D 74 24.016 4.987 13.738 1.00 23.82 C ATOM 1936 C LEU D 74 23.267 5.820 14.773 1.00 25.67 C ATOM 1937 O LEU D 74 23.621 5.825 15.952 1.00 27.43 O ATOM 1938 CB LEU D 74 24.945 5.884 12.919 1.00 23.60 C ATOM 1939 CG LEU D 74 26.056 5.149 12.166 1.00 22.36 C ATOM 1940 CD1 LEU D 74 27.026 6.142 11.544 1.00 23.15 C ATOM 1941 CD2 LEU D 74 26.789 4.196 13.099 1.00 22.24 C ATOM 0 H LEU D 74 23.217 4.477 11.867 1.00 22.22 H new ATOM 0 HA LEU D 74 24.613 4.241 14.263 1.00 23.82 H new ATOM 0 HB2 LEU D 74 24.346 6.441 12.199 1.00 23.60 H new ATOM 0 HB3 LEU D 74 25.401 6.615 13.587 1.00 23.60 H new ATOM 0 HG LEU D 74 25.603 4.565 11.364 1.00 22.36 H new ATOM 0 HD11 LEU D 74 27.809 5.601 11.013 1.00 23.15 H new ATOM 0 HD12 LEU D 74 26.491 6.785 10.845 1.00 23.15 H new ATOM 0 HD13 LEU D 74 27.474 6.753 12.328 1.00 23.15 H new ATOM 0 HD21 LEU D 74 27.576 3.681 12.548 1.00 22.24 H new ATOM 0 HD22 LEU D 74 27.230 4.759 13.921 1.00 22.24 H new ATOM 0 HD23 LEU D 74 26.086 3.464 13.497 1.00 22.24 H new ATOM 1953 N LYS D 75 22.232 6.524 14.325 1.00 25.38 N ATOM 1954 CA LYS D 75 21.435 7.360 15.218 1.00 27.09 C ATOM 1955 C LYS D 75 21.013 6.579 16.456 1.00 27.64 C ATOM 1956 O LYS D 75 21.106 7.075 17.579 1.00 28.82 O ATOM 1957 CB LYS D 75 20.201 7.893 14.488 1.00 27.02 C ATOM 1958 CG LYS D 75 19.705 9.224 15.028 1.00 26.54 C ATOM 1959 CD LYS D 75 19.445 10.217 13.907 1.00 25.73 C ATOM 1960 CE LYS D 75 18.158 9.897 13.165 1.00 26.95 C ATOM 1961 NZ LYS D 75 17.629 11.081 12.434 1.00 27.29 N ATOM 0 H LYS D 75 21.926 6.533 13.352 1.00 25.38 H new ATOM 0 HA LYS D 75 22.050 8.203 15.534 1.00 27.09 H new ATOM 0 HB2 LYS D 75 20.435 8.004 13.429 1.00 27.02 H new ATOM 0 HB3 LYS D 75 19.399 7.158 14.562 1.00 27.02 H new ATOM 0 HG2 LYS D 75 18.789 9.068 15.597 1.00 26.54 H new ATOM 0 HG3 LYS D 75 20.442 9.636 15.717 1.00 26.54 H new ATOM 0 HD2 LYS D 75 19.388 11.225 14.319 1.00 25.73 H new ATOM 0 HD3 LYS D 75 20.281 10.205 13.208 1.00 25.73 H new ATOM 0 HE2 LYS D 75 18.338 9.086 12.460 1.00 26.95 H new ATOM 0 HE3 LYS D 75 17.409 9.543 13.873 1.00 26.95 H new ATOM 0 HZ1 LYS D 75 16.589 11.056 12.439 1.00 27.29 H new ATOM 0 HZ2 LYS D 75 17.956 11.951 12.900 1.00 27.29 H new ATOM 0 HZ3 LYS D 75 17.971 11.064 11.452 1.00 27.29 H new ATOM 1975 N ASP D 76 20.555 5.352 16.242 1.00 26.89 N ATOM 1976 CA ASP D 76 20.124 4.496 17.338 1.00 27.48 C ATOM 1977 C ASP D 76 21.329 3.973 18.112 1.00 27.77 C ATOM 1978 O ASP D 76 21.284 3.838 19.335 1.00 28.92 O ATOM 1979 CB ASP D 76 19.293 3.327 16.805 1.00 26.27 C ATOM 1980 CG ASP D 76 17.983 3.784 16.193 1.00 26.68 C ATOM 1981 OD1 ASP D 76 17.268 4.574 16.844 1.00 27.75 O ATOM 1982 OD2 ASP D 76 17.673 3.351 15.063 1.00 26.21 O ATOM 0 H ASP D 76 20.473 4.928 15.318 1.00 26.89 H new ATOM 0 HA ASP D 76 19.506 5.087 18.014 1.00 27.48 H new ATOM 0 HB2 ASP D 76 19.871 2.784 16.057 1.00 26.27 H new ATOM 0 HB3 ASP D 76 19.088 2.630 17.617 1.00 26.27 H new ATOM 1987 N LEU D 77 22.407 3.684 17.389 1.00 26.76 N ATOM 1988 CA LEU D 77 23.629 3.182 18.002 1.00 26.91 C ATOM 1989 C LEU D 77 24.111 4.124 19.099 1.00 28.36 C ATOM 1990 O LEU D 77 24.436 3.693 20.205 1.00 29.08 O ATOM 1991 CB LEU D 77 24.721 3.017 16.943 1.00 26.17 C ATOM 1992 CG LEU D 77 24.741 1.663 16.235 1.00 26.42 C ATOM 1993 CD1 LEU D 77 25.555 1.744 14.951 1.00 24.39 C ATOM 1994 CD2 LEU D 77 25.301 0.589 17.156 1.00 27.82 C ATOM 0 H LEU D 77 22.457 3.790 16.376 1.00 26.76 H new ATOM 0 HA LEU D 77 23.412 2.212 18.448 1.00 26.91 H new ATOM 0 HB2 LEU D 77 24.599 3.799 16.194 1.00 26.17 H new ATOM 0 HB3 LEU D 77 25.690 3.176 17.416 1.00 26.17 H new ATOM 0 HG LEU D 77 23.717 1.394 15.976 1.00 26.42 H new ATOM 0 HD11 LEU D 77 25.558 0.771 14.460 1.00 24.39 H new ATOM 0 HD12 LEU D 77 25.112 2.485 14.285 1.00 24.39 H new ATOM 0 HD13 LEU D 77 26.579 2.035 15.187 1.00 24.39 H new ATOM 0 HD21 LEU D 77 25.308 -0.369 16.636 1.00 27.82 H new ATOM 0 HD22 LEU D 77 26.318 0.852 17.445 1.00 27.82 H new ATOM 0 HD23 LEU D 77 24.678 0.513 18.047 1.00 27.82 H new ATOM 2006 N TYR D 78 24.154 5.414 18.781 1.00 28.78 N ATOM 2007 CA TYR D 78 24.596 6.422 19.736 1.00 30.14 C ATOM 2008 C TYR D 78 23.529 6.676 20.796 1.00 33.00 C ATOM 2009 O TYR D 78 23.827 6.726 21.989 1.00 34.59 O ATOM 2010 CB TYR D 78 24.933 7.726 19.011 1.00 29.02 C ATOM 2011 CG TYR D 78 26.414 7.921 18.777 1.00 27.74 C ATOM 2012 CD1 TYR D 78 27.092 7.180 17.793 1.00 27.58 C ATOM 2013 CD2 TYR D 78 27.148 8.848 19.538 1.00 26.73 C ATOM 2014 CE1 TYR D 78 28.461 7.356 17.575 1.00 26.52 C ATOM 2015 CE2 TYR D 78 28.518 9.029 19.325 1.00 25.62 C ATOM 2016 CZ TYR D 78 29.170 8.282 18.342 1.00 25.54 C ATOM 2017 OH TYR D 78 30.518 8.457 18.128 1.00 24.58 O ATOM 0 H TYR D 78 23.888 5.785 17.869 1.00 28.78 H new ATOM 0 HA TYR D 78 25.491 6.048 20.233 1.00 30.14 H new ATOM 0 HB2 TYR D 78 24.416 7.743 18.051 1.00 29.02 H new ATOM 0 HB3 TYR D 78 24.552 8.565 19.593 1.00 29.02 H new ATOM 0 HD1 TYR D 78 26.546 6.464 17.197 1.00 27.58 H new ATOM 0 HD2 TYR D 78 26.646 9.429 20.298 1.00 26.73 H new ATOM 0 HE1 TYR D 78 28.968 6.778 16.817 1.00 26.52 H new ATOM 0 HE2 TYR D 78 29.069 9.743 19.918 1.00 25.62 H new ATOM 0 HH TYR D 78 30.861 9.138 18.743 1.00 24.58 H new ATOM 2027 N LYS D 79 22.285 6.833 20.354 1.00 33.81 N ATOM 2028 CA LYS D 79 21.179 7.079 21.269 1.00 36.54 C ATOM 2029 C LYS D 79 21.162 6.046 22.390 1.00 38.22 C ATOM 2030 O LYS D 79 20.748 6.340 23.513 1.00 39.83 O ATOM 2031 CB LYS D 79 19.848 7.057 20.515 1.00 37.34 C ATOM 2032 CG LYS D 79 19.421 8.420 19.996 1.00 37.51 C ATOM 2033 CD LYS D 79 18.033 8.793 20.489 1.00 40.32 C ATOM 2034 CE LYS D 79 16.962 7.932 19.841 1.00 40.91 C ATOM 2035 NZ LYS D 79 15.598 8.291 20.316 1.00 43.80 N ATOM 0 H LYS D 79 22.019 6.794 19.370 1.00 33.81 H new ATOM 0 HA LYS D 79 21.318 8.066 21.711 1.00 36.54 H new ATOM 0 HB2 LYS D 79 19.927 6.366 19.676 1.00 37.34 H new ATOM 0 HB3 LYS D 79 19.072 6.669 21.175 1.00 37.34 H new ATOM 0 HG2 LYS D 79 20.138 9.175 20.319 1.00 37.51 H new ATOM 0 HG3 LYS D 79 19.432 8.415 18.906 1.00 37.51 H new ATOM 0 HD2 LYS D 79 17.987 8.678 21.572 1.00 40.32 H new ATOM 0 HD3 LYS D 79 17.838 9.843 20.271 1.00 40.32 H new ATOM 0 HE2 LYS D 79 17.011 8.046 18.758 1.00 40.91 H new ATOM 0 HE3 LYS D 79 17.158 6.882 20.060 1.00 40.91 H new ATOM 0 HZ1 LYS D 79 14.896 7.681 19.850 1.00 43.80 H new ATOM 0 HZ2 LYS D 79 15.543 8.158 21.346 1.00 43.80 H new ATOM 0 HZ3 LYS D 79 15.400 9.285 20.084 1.00 43.80 H new