USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 73 THR OG1 : rot 79:sc= 0.343 USER MOD Set 1.2: D 62 GLN : amide:sc= -2.52! C(o=-2.2!,f=-6.2!) USER MOD Set 2.1: A 78 TYR OH : rot -79:sc= -4.95! USER MOD Set 2.2: B 62 GLN : amide:sc= -2.59! C(o=-7.3!,f=-11!) USER MOD Set 2.3: D 73 THR OG1 : rot 80:sc= 0.251 USER MOD Set 3.1: A 73 THR OG1 : rot 87:sc= 0 USER MOD Set 3.2: C 69 MET CE :methyl 170:sc= -0.949 (180deg=-1.21) USER MOD Set 4.1: A 69 MET CE :methyl 165:sc= -0.842 (180deg=-1.11) USER MOD Set 4.2: C 73 THR OG1 : rot 87:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.355 K(o=-0.36,f=-4.4!) USER MOD Single : A 63 SER OG : rot 7:sc= -0.774 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+ 164:sc=-0.00719 (180deg=-0.0903) 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 92:sc= -1.31 USER MOD Single : B 63 SER OG : rot -94:sc= -0.992! 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 138:sc= -5.91! (180deg=-7.64!) USER MOD Single : B 75 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.087) USER MOD Single : B 78 TYR OH : rot 180:sc= -0.439 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -0.43 K(o=-0.43,f=-4.6!) USER MOD Single : C 63 SER OG : rot 7:sc= -0.699 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+ 164:sc= 0 (180deg=-0.0882) USER MOD Single : C 78 TYR OH : rot -78:sc= -5.17! 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 93:sc= -0.515 USER MOD Single : D 63 SER OG : rot -88:sc= -0.996! 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 138:sc= -5.94! (180deg=-7.47!) USER MOD Single : D 75 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0797) USER MOD Single : D 78 TYR OH : rot 180:sc= -0.372 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 25.540 -12.199 -17.302 1.00 31.22 N ATOM 54 CA ALA A 55 25.102 -10.900 -16.811 1.00 28.82 C ATOM 55 C ALA A 55 24.383 -11.039 -15.473 1.00 26.85 C ATOM 56 O ALA A 55 24.571 -10.225 -14.570 1.00 25.41 O ATOM 57 CB ALA A 55 24.203 -10.222 -17.834 1.00 27.75 C ATOM 0 HA ALA A 55 25.984 -10.278 -16.658 1.00 28.82 H new ATOM 0 HB1 ALA A 55 23.884 -9.252 -17.452 1.00 27.75 H new ATOM 0 HB2 ALA A 55 24.752 -10.083 -18.765 1.00 27.75 H new ATOM 0 HB3 ALA A 55 23.328 -10.845 -18.019 1.00 27.75 H new ATOM 63 N GLU A 56 23.562 -12.078 -15.351 1.00 27.00 N ATOM 64 CA GLU A 56 22.824 -12.323 -14.118 1.00 25.45 C ATOM 65 C GLU A 56 23.778 -12.707 -12.994 1.00 26.03 C ATOM 66 O GLU A 56 23.772 -12.101 -11.923 1.00 25.95 O ATOM 67 CB GLU A 56 21.785 -13.426 -14.324 1.00 26.17 C ATOM 68 CG GLU A 56 20.532 -13.247 -13.481 1.00 26.31 C ATOM 69 CD GLU A 56 19.323 -13.945 -14.072 1.00 27.24 C ATOM 70 OE1 GLU A 56 19.190 -15.171 -13.874 1.00 27.96 O ATOM 71 OE2 GLU A 56 18.509 -13.265 -14.732 1.00 27.52 O ATOM 0 H GLU A 56 23.392 -12.761 -16.089 1.00 27.00 H new ATOM 0 HA GLU A 56 22.307 -11.404 -13.841 1.00 25.45 H new ATOM 0 HB2 GLU A 56 21.503 -13.456 -15.377 1.00 26.17 H new ATOM 0 HB3 GLU A 56 22.238 -14.389 -14.087 1.00 26.17 H new ATOM 0 HG2 GLU A 56 20.715 -13.634 -12.479 1.00 26.31 H new ATOM 0 HG3 GLU A 56 20.318 -12.183 -13.378 1.00 26.31 H new ATOM 78 N ARG A 57 24.603 -13.714 -13.253 1.00 26.71 N ATOM 79 CA ARG A 57 25.575 -14.178 -12.273 1.00 27.32 C ATOM 80 C ARG A 57 26.527 -13.050 -11.896 1.00 27.56 C ATOM 81 O ARG A 57 26.783 -12.803 -10.718 1.00 28.01 O ATOM 82 CB ARG A 57 26.365 -15.365 -12.829 1.00 27.56 C ATOM 83 CG ARG A 57 26.981 -16.245 -11.755 1.00 26.60 C ATOM 84 CD ARG A 57 26.610 -17.706 -11.953 1.00 26.03 C ATOM 85 NE ARG A 57 27.341 -18.308 -13.064 1.00 26.80 N ATOM 86 CZ ARG A 57 27.504 -19.619 -13.213 1.00 26.46 C ATOM 87 NH1 ARG A 57 26.992 -20.458 -12.325 1.00 25.48 N ATOM 88 NH2 ARG A 57 28.179 -20.090 -14.252 1.00 27.24 N ATOM 0 H ARG A 57 24.618 -14.225 -14.135 1.00 26.71 H new ATOM 0 HA ARG A 57 25.039 -14.499 -11.380 1.00 27.32 H new ATOM 0 HB2 ARG A 57 25.704 -15.972 -13.449 1.00 27.56 H new ATOM 0 HB3 ARG A 57 27.157 -14.991 -13.478 1.00 27.56 H new ATOM 0 HG2 ARG A 57 28.066 -16.138 -11.773 1.00 26.60 H new ATOM 0 HG3 ARG A 57 26.644 -15.913 -10.773 1.00 26.60 H new ATOM 0 HD2 ARG A 57 26.819 -18.261 -11.038 1.00 26.03 H new ATOM 0 HD3 ARG A 57 25.539 -17.787 -12.137 1.00 26.03 H new ATOM 0 HE ARG A 57 27.749 -17.689 -13.764 1.00 26.80 H new ATOM 0 HH11 ARG A 57 26.471 -20.099 -11.525 1.00 25.48 H new ATOM 0 HH12 ARG A 57 27.118 -21.463 -12.441 1.00 25.48 H new ATOM 0 HH21 ARG A 57 28.574 -19.446 -14.938 1.00 27.24 H new ATOM 0 HH22 ARG A 57 28.304 -21.096 -14.366 1.00 27.24 H new ATOM 102 N LEU A 58 27.040 -12.367 -12.911 1.00 27.27 N ATOM 103 CA LEU A 58 27.960 -11.255 -12.702 1.00 27.49 C ATOM 104 C LEU A 58 27.359 -10.228 -11.749 1.00 25.09 C ATOM 105 O LEU A 58 28.000 -9.812 -10.786 1.00 23.72 O ATOM 106 CB LEU A 58 28.299 -10.588 -14.038 1.00 28.23 C ATOM 107 CG LEU A 58 29.354 -11.312 -14.875 1.00 28.76 C ATOM 108 CD1 LEU A 58 29.754 -10.469 -16.075 1.00 28.18 C ATOM 109 CD2 LEU A 58 30.570 -11.645 -14.026 1.00 29.62 C ATOM 0 H LEU A 58 26.834 -12.564 -13.890 1.00 27.27 H new ATOM 0 HA LEU A 58 28.874 -11.649 -12.258 1.00 27.49 H new ATOM 0 HB2 LEU A 58 27.385 -10.504 -14.627 1.00 28.23 H new ATOM 0 HB3 LEU A 58 28.646 -9.574 -13.842 1.00 28.23 H new ATOM 0 HG LEU A 58 28.924 -12.245 -15.240 1.00 28.76 H new ATOM 0 HD11 LEU A 58 30.506 -11.001 -16.659 1.00 28.18 H new ATOM 0 HD12 LEU A 58 28.878 -10.281 -16.696 1.00 28.18 H new ATOM 0 HD13 LEU A 58 30.166 -9.520 -15.732 1.00 28.18 H new ATOM 0 HD21 LEU A 58 31.311 -12.160 -14.638 1.00 29.62 H new ATOM 0 HD22 LEU A 58 31.001 -10.725 -13.632 1.00 29.62 H new ATOM 0 HD23 LEU A 58 30.271 -12.289 -13.199 1.00 29.62 H new ATOM 121 N ALA A 59 26.123 -9.825 -12.026 1.00 24.76 N ATOM 122 CA ALA A 59 25.436 -8.847 -11.192 1.00 22.60 C ATOM 123 C ALA A 59 25.470 -9.266 -9.726 1.00 21.99 C ATOM 124 O ALA A 59 25.682 -8.441 -8.838 1.00 21.52 O ATOM 125 CB ALA A 59 23.999 -8.670 -11.658 1.00 20.69 C ATOM 0 H ALA A 59 25.578 -10.160 -12.820 1.00 24.76 H new ATOM 0 HA ALA A 59 25.955 -7.893 -11.287 1.00 22.60 H new ATOM 0 HB1 ALA A 59 23.499 -7.937 -11.025 1.00 20.69 H new ATOM 0 HB2 ALA A 59 23.992 -8.323 -12.691 1.00 20.69 H new ATOM 0 HB3 ALA A 59 23.475 -9.623 -11.592 1.00 20.69 H new ATOM 131 N ASP A 60 25.264 -10.556 -9.484 1.00 22.43 N ATOM 132 CA ASP A 60 25.273 -11.090 -8.128 1.00 22.46 C ATOM 133 C ASP A 60 26.697 -11.161 -7.587 1.00 22.10 C ATOM 134 O ASP A 60 26.938 -10.912 -6.405 1.00 22.07 O ATOM 135 CB ASP A 60 24.633 -12.479 -8.100 1.00 24.49 C ATOM 136 CG ASP A 60 24.185 -12.882 -6.708 1.00 25.24 C ATOM 137 OD1 ASP A 60 25.057 -13.060 -5.832 1.00 26.26 O ATOM 138 OD2 ASP A 60 22.962 -13.019 -6.495 1.00 24.82 O ATOM 0 H ASP A 60 25.089 -11.251 -10.210 1.00 22.43 H new ATOM 0 HA ASP A 60 24.693 -10.420 -7.493 1.00 22.46 H new ATOM 0 HB2 ASP A 60 23.776 -12.495 -8.773 1.00 24.49 H new ATOM 0 HB3 ASP A 60 25.347 -13.212 -8.475 1.00 24.49 H new ATOM 143 N GLU A 61 27.640 -11.501 -8.462 1.00 22.03 N ATOM 144 CA GLU A 61 29.042 -11.603 -8.076 1.00 21.71 C ATOM 145 C GLU A 61 29.602 -10.233 -7.709 1.00 19.95 C ATOM 146 O GLU A 61 30.303 -10.085 -6.708 1.00 19.69 O ATOM 147 CB GLU A 61 29.863 -12.217 -9.212 1.00 22.68 C ATOM 148 CG GLU A 61 30.603 -13.484 -8.814 1.00 24.38 C ATOM 149 CD GLU A 61 31.495 -13.282 -7.605 1.00 24.85 C ATOM 150 OE1 GLU A 61 32.643 -12.822 -7.784 1.00 25.57 O ATOM 151 OE2 GLU A 61 31.046 -13.583 -6.480 1.00 24.69 O ATOM 0 H GLU A 61 27.457 -11.710 -9.443 1.00 22.03 H new ATOM 0 HA GLU A 61 29.108 -12.250 -7.201 1.00 21.71 H new ATOM 0 HB2 GLU A 61 29.200 -12.441 -10.048 1.00 22.68 H new ATOM 0 HB3 GLU A 61 30.585 -11.481 -9.566 1.00 22.68 H new ATOM 0 HG2 GLU A 61 29.880 -14.271 -8.600 1.00 24.38 H new ATOM 0 HG3 GLU A 61 31.207 -13.826 -9.654 1.00 24.38 H new ATOM 158 N GLN A 62 29.286 -9.236 -8.526 1.00 19.17 N ATOM 159 CA GLN A 62 29.753 -7.877 -8.288 1.00 17.91 C ATOM 160 C GLN A 62 29.080 -7.290 -7.052 1.00 16.92 C ATOM 161 O GLN A 62 29.702 -6.561 -6.279 1.00 17.16 O ATOM 162 CB GLN A 62 29.470 -6.995 -9.505 1.00 16.28 C ATOM 163 CG GLN A 62 29.772 -7.672 -10.832 1.00 16.78 C ATOM 164 CD GLN A 62 30.988 -7.085 -11.521 1.00 16.47 C ATOM 165 OE1 GLN A 62 31.260 -5.889 -11.415 1.00 15.35 O ATOM 166 NE2 GLN A 62 31.728 -7.927 -12.234 1.00 17.70 N ATOM 0 H GLN A 62 28.708 -9.344 -9.359 1.00 19.17 H new ATOM 0 HA GLN A 62 30.829 -7.910 -8.119 1.00 17.91 H new ATOM 0 HB2 GLN A 62 28.422 -6.695 -9.490 1.00 16.28 H new ATOM 0 HB3 GLN A 62 30.063 -6.084 -9.428 1.00 16.28 H new ATOM 0 HG2 GLN A 62 29.932 -8.737 -10.664 1.00 16.78 H new ATOM 0 HG3 GLN A 62 28.907 -7.579 -11.488 1.00 16.78 H new ATOM 0 HE21 GLN A 62 31.466 -8.911 -12.295 1.00 17.70 H new ATOM 0 HE22 GLN A 62 32.559 -7.590 -12.721 1.00 17.70 H new ATOM 175 N SER A 63 27.805 -7.619 -6.871 1.00 16.13 N ATOM 176 CA SER A 63 27.046 -7.130 -5.726 1.00 15.19 C ATOM 177 C SER A 63 27.562 -7.751 -4.434 1.00 14.03 C ATOM 178 O SER A 63 27.592 -7.099 -3.389 1.00 13.01 O ATOM 179 CB SER A 63 25.559 -7.445 -5.900 1.00 15.12 C ATOM 180 OG SER A 63 25.358 -8.820 -6.178 1.00 14.86 O ATOM 0 H SER A 63 27.276 -8.221 -7.502 1.00 16.13 H new ATOM 0 HA SER A 63 27.174 -6.049 -5.668 1.00 15.19 H new ATOM 0 HB2 SER A 63 25.018 -7.171 -4.994 1.00 15.12 H new ATOM 0 HB3 SER A 63 25.149 -6.843 -6.711 1.00 15.12 H new ATOM 0 HG SER A 63 26.210 -9.298 -6.098 1.00 14.86 H new ATOM 186 N GLU A 64 27.975 -9.013 -4.512 1.00 14.23 N ATOM 187 CA GLU A 64 28.495 -9.717 -3.347 1.00 13.26 C ATOM 188 C GLU A 64 29.749 -9.031 -2.820 1.00 12.76 C ATOM 189 O GLU A 64 29.912 -8.851 -1.613 1.00 11.69 O ATOM 190 CB GLU A 64 28.803 -11.173 -3.699 1.00 13.68 C ATOM 191 CG GLU A 64 28.529 -12.143 -2.563 1.00 14.07 C ATOM 192 CD GLU A 64 29.748 -12.963 -2.187 1.00 16.38 C ATOM 193 OE1 GLU A 64 30.807 -12.359 -1.912 1.00 18.21 O ATOM 194 OE2 GLU A 64 29.645 -14.207 -2.168 1.00 16.41 O ATOM 0 H GLU A 64 27.959 -9.567 -5.368 1.00 14.23 H new ATOM 0 HA GLU A 64 27.734 -9.696 -2.567 1.00 13.26 H new ATOM 0 HB2 GLU A 64 28.208 -11.463 -4.565 1.00 13.68 H new ATOM 0 HB3 GLU A 64 29.850 -11.254 -3.991 1.00 13.68 H new ATOM 0 HG2 GLU A 64 28.187 -11.587 -1.690 1.00 14.07 H new ATOM 0 HG3 GLU A 64 27.720 -12.814 -2.851 1.00 14.07 H new ATOM 201 N LEU A 65 30.633 -8.647 -3.735 1.00 13.86 N ATOM 202 CA LEU A 65 31.873 -7.976 -3.365 1.00 13.51 C ATOM 203 C LEU A 65 31.581 -6.703 -2.579 1.00 12.06 C ATOM 204 O LEU A 65 32.240 -6.413 -1.580 1.00 13.21 O ATOM 205 CB LEU A 65 32.692 -7.646 -4.613 1.00 13.42 C ATOM 206 CG LEU A 65 33.164 -8.859 -5.417 1.00 15.20 C ATOM 207 CD1 LEU A 65 33.288 -8.506 -6.891 1.00 16.25 C ATOM 208 CD2 LEU A 65 34.491 -9.372 -4.877 1.00 17.40 C ATOM 0 H LEU A 65 30.513 -8.789 -4.738 1.00 13.86 H new ATOM 0 HA LEU A 65 32.451 -8.650 -2.732 1.00 13.51 H new ATOM 0 HB2 LEU A 65 32.093 -7.008 -5.264 1.00 13.42 H new ATOM 0 HB3 LEU A 65 33.565 -7.066 -4.313 1.00 13.42 H new ATOM 0 HG LEU A 65 32.422 -9.651 -5.315 1.00 15.20 H new ATOM 0 HD11 LEU A 65 33.625 -9.381 -7.448 1.00 16.25 H new ATOM 0 HD12 LEU A 65 32.318 -8.185 -7.271 1.00 16.25 H new ATOM 0 HD13 LEU A 65 34.010 -7.699 -7.012 1.00 16.25 H new ATOM 0 HD21 LEU A 65 34.812 -10.235 -5.460 1.00 17.40 H new ATOM 0 HD22 LEU A 65 35.242 -8.585 -4.950 1.00 17.40 H new ATOM 0 HD23 LEU A 65 34.371 -9.664 -3.834 1.00 17.40 H new ATOM 220 N VAL A 66 30.586 -5.948 -3.033 1.00 9.81 N ATOM 221 CA VAL A 66 30.205 -4.708 -2.369 1.00 8.59 C ATOM 222 C VAL A 66 29.607 -4.986 -0.996 1.00 8.39 C ATOM 223 O VAL A 66 29.974 -4.352 -0.007 1.00 9.66 O ATOM 224 CB VAL A 66 29.191 -3.906 -3.208 1.00 8.63 C ATOM 225 CG1 VAL A 66 28.857 -2.588 -2.526 1.00 8.31 C ATOM 226 CG2 VAL A 66 29.728 -3.667 -4.611 1.00 9.25 C ATOM 0 H VAL A 66 30.030 -6.173 -3.858 1.00 9.81 H new ATOM 0 HA VAL A 66 31.114 -4.117 -2.255 1.00 8.59 H new ATOM 0 HB VAL A 66 28.274 -4.489 -3.290 1.00 8.63 H new ATOM 0 HG11 VAL A 66 28.140 -2.036 -3.133 1.00 8.31 H new ATOM 0 HG12 VAL A 66 28.426 -2.785 -1.545 1.00 8.31 H new ATOM 0 HG13 VAL A 66 29.766 -1.997 -2.411 1.00 8.31 H new ATOM 0 HG21 VAL A 66 28.998 -3.099 -5.188 1.00 9.25 H new ATOM 0 HG22 VAL A 66 30.661 -3.106 -4.553 1.00 9.25 H new ATOM 0 HG23 VAL A 66 29.911 -4.625 -5.099 1.00 9.25 H new ATOM 236 N LYS A 67 28.686 -5.943 -0.939 1.00 7.52 N ATOM 237 CA LYS A 67 28.045 -6.307 0.318 1.00 8.58 C ATOM 238 C LYS A 67 29.091 -6.711 1.349 1.00 10.15 C ATOM 239 O LYS A 67 29.208 -6.091 2.407 1.00 11.13 O ATOM 240 CB LYS A 67 27.053 -7.452 0.100 1.00 10.42 C ATOM 241 CG LYS A 67 26.395 -7.941 1.380 1.00 11.15 C ATOM 242 CD LYS A 67 25.472 -9.120 1.116 1.00 13.04 C ATOM 243 CE LYS A 67 25.201 -9.909 2.387 1.00 15.54 C ATOM 244 NZ LYS A 67 24.767 -11.303 2.094 1.00 17.36 N ATOM 0 H LYS A 67 28.368 -6.479 -1.747 1.00 7.52 H new ATOM 0 HA LYS A 67 27.501 -5.439 0.691 1.00 8.58 H new ATOM 0 HB2 LYS A 67 26.279 -7.124 -0.594 1.00 10.42 H new ATOM 0 HB3 LYS A 67 27.572 -8.286 -0.373 1.00 10.42 H new ATOM 0 HG2 LYS A 67 27.163 -8.232 2.097 1.00 11.15 H new ATOM 0 HG3 LYS A 67 25.828 -7.128 1.833 1.00 11.15 H new ATOM 0 HD2 LYS A 67 24.530 -8.761 0.701 1.00 13.04 H new ATOM 0 HD3 LYS A 67 25.920 -9.774 0.368 1.00 13.04 H new ATOM 0 HE2 LYS A 67 26.102 -9.931 3.000 1.00 15.54 H new ATOM 0 HE3 LYS A 67 24.431 -9.404 2.970 1.00 15.54 H new ATOM 0 HZ1 LYS A 67 24.592 -11.807 2.987 1.00 17.36 H new ATOM 0 HZ2 LYS A 67 23.893 -11.283 1.531 1.00 17.36 H new ATOM 0 HZ3 LYS A 67 25.512 -11.793 1.559 1.00 17.36 H new ATOM 258 N LYS A 68 29.860 -7.747 1.029 1.00 10.58 N ATOM 259 CA LYS A 68 30.905 -8.222 1.925 1.00 12.14 C ATOM 260 C LYS A 68 31.838 -7.075 2.295 1.00 10.60 C ATOM 261 O LYS A 68 32.361 -7.018 3.407 1.00 10.99 O ATOM 262 CB LYS A 68 31.699 -9.353 1.268 1.00 14.56 C ATOM 263 CG LYS A 68 32.562 -10.134 2.245 1.00 16.38 C ATOM 264 CD LYS A 68 33.830 -10.644 1.582 1.00 17.98 C ATOM 265 CE LYS A 68 33.518 -11.474 0.348 1.00 19.68 C ATOM 266 NZ LYS A 68 34.340 -12.714 0.289 1.00 22.35 N ATOM 0 H LYS A 68 29.779 -8.272 0.158 1.00 10.58 H new ATOM 0 HA LYS A 68 30.438 -8.606 2.832 1.00 12.14 H new ATOM 0 HB2 LYS A 68 31.005 -10.038 0.780 1.00 14.56 H new ATOM 0 HB3 LYS A 68 32.335 -8.934 0.488 1.00 14.56 H new ATOM 0 HG2 LYS A 68 32.823 -9.498 3.091 1.00 16.38 H new ATOM 0 HG3 LYS A 68 31.994 -10.975 2.642 1.00 16.38 H new ATOM 0 HD2 LYS A 68 34.461 -9.800 1.304 1.00 17.98 H new ATOM 0 HD3 LYS A 68 34.397 -11.246 2.293 1.00 17.98 H new ATOM 0 HE2 LYS A 68 32.461 -11.739 0.347 1.00 19.68 H new ATOM 0 HE3 LYS A 68 33.698 -10.877 -0.546 1.00 19.68 H new ATOM 0 HZ1 LYS A 68 34.097 -13.251 -0.567 1.00 22.35 H new ATOM 0 HZ2 LYS A 68 35.348 -12.461 0.264 1.00 22.35 H new ATOM 0 HZ3 LYS A 68 34.150 -13.297 1.129 1.00 22.35 H new ATOM 280 N MET A 69 32.031 -6.158 1.353 1.00 9.07 N ATOM 281 CA MET A 69 32.888 -5.004 1.573 1.00 7.81 C ATOM 282 C MET A 69 32.277 -4.087 2.630 1.00 5.70 C ATOM 283 O MET A 69 32.969 -3.615 3.533 1.00 5.31 O ATOM 284 CB MET A 69 33.097 -4.243 0.258 1.00 7.34 C ATOM 285 CG MET A 69 33.726 -2.869 0.433 1.00 5.91 C ATOM 286 SD MET A 69 32.504 -1.593 0.788 1.00 5.21 S ATOM 287 CE MET A 69 32.126 -1.015 -0.864 1.00 7.70 C ATOM 0 H MET A 69 31.603 -6.194 0.428 1.00 9.07 H new ATOM 0 HA MET A 69 33.858 -5.349 1.933 1.00 7.81 H new ATOM 0 HB2 MET A 69 33.729 -4.840 -0.399 1.00 7.34 H new ATOM 0 HB3 MET A 69 32.135 -4.130 -0.242 1.00 7.34 H new ATOM 0 HG2 MET A 69 34.454 -2.906 1.243 1.00 5.91 H new ATOM 0 HG3 MET A 69 34.271 -2.604 -0.473 1.00 5.91 H new ATOM 0 HE1 MET A 69 31.210 -0.424 -0.842 1.00 7.70 H new ATOM 0 HE2 MET A 69 32.947 -0.398 -1.230 1.00 7.70 H new ATOM 0 HE3 MET A 69 31.991 -1.870 -1.527 1.00 7.70 H new ATOM 297 N VAL A 70 30.975 -3.850 2.516 1.00 5.33 N ATOM 298 CA VAL A 70 30.265 -3.003 3.462 1.00 4.41 C ATOM 299 C VAL A 70 30.187 -3.677 4.828 1.00 6.02 C ATOM 300 O VAL A 70 30.267 -3.016 5.863 1.00 6.41 O ATOM 301 CB VAL A 70 28.842 -2.671 2.958 1.00 4.36 C ATOM 302 CG1 VAL A 70 28.019 -1.963 4.029 1.00 3.46 C ATOM 303 CG2 VAL A 70 28.918 -1.822 1.700 1.00 4.00 C ATOM 0 H VAL A 70 30.390 -4.235 1.775 1.00 5.33 H new ATOM 0 HA VAL A 70 30.822 -2.071 3.555 1.00 4.41 H new ATOM 0 HB VAL A 70 28.341 -3.611 2.725 1.00 4.36 H new ATOM 0 HG11 VAL A 70 27.025 -1.745 3.639 1.00 3.46 H new ATOM 0 HG12 VAL A 70 27.932 -2.605 4.905 1.00 3.46 H new ATOM 0 HG13 VAL A 70 28.511 -1.031 4.309 1.00 3.46 H new ATOM 0 HG21 VAL A 70 27.910 -1.594 1.354 1.00 4.00 H new ATOM 0 HG22 VAL A 70 29.445 -0.893 1.919 1.00 4.00 H new ATOM 0 HG23 VAL A 70 29.453 -2.369 0.924 1.00 4.00 H new ATOM 313 N PHE A 71 30.039 -4.996 4.820 1.00 7.82 N ATOM 314 CA PHE A 71 29.960 -5.756 6.059 1.00 10.04 C ATOM 315 C PHE A 71 31.173 -5.462 6.936 1.00 9.65 C ATOM 316 O PHE A 71 31.034 -5.000 8.067 1.00 10.66 O ATOM 317 CB PHE A 71 29.870 -7.256 5.760 1.00 12.48 C ATOM 318 CG PHE A 71 30.029 -8.124 6.977 1.00 13.99 C ATOM 319 CD1 PHE A 71 28.938 -8.381 7.820 1.00 14.10 C ATOM 320 CD2 PHE A 71 31.274 -8.687 7.290 1.00 15.55 C ATOM 321 CE1 PHE A 71 29.087 -9.185 8.953 1.00 15.65 C ATOM 322 CE2 PHE A 71 31.429 -9.490 8.424 1.00 17.32 C ATOM 323 CZ PHE A 71 30.334 -9.739 9.256 1.00 17.33 C ATOM 0 H PHE A 71 29.972 -5.559 3.972 1.00 7.82 H new ATOM 0 HA PHE A 71 29.060 -5.455 6.595 1.00 10.04 H new ATOM 0 HB2 PHE A 71 28.907 -7.468 5.296 1.00 12.48 H new ATOM 0 HB3 PHE A 71 30.638 -7.520 5.033 1.00 12.48 H new ATOM 0 HD1 PHE A 71 27.973 -7.953 7.591 1.00 14.10 H new ATOM 0 HD2 PHE A 71 32.122 -8.499 6.649 1.00 15.55 H new ATOM 0 HE1 PHE A 71 28.240 -9.378 9.594 1.00 15.65 H new ATOM 0 HE2 PHE A 71 32.393 -9.917 8.657 1.00 17.32 H new ATOM 0 HZ PHE A 71 30.451 -10.359 10.132 1.00 17.33 H new ATOM 333 N ASP A 72 32.362 -5.729 6.404 1.00 8.67 N ATOM 334 CA ASP A 72 33.597 -5.488 7.140 1.00 8.27 C ATOM 335 C ASP A 72 33.649 -4.052 7.650 1.00 6.88 C ATOM 336 O ASP A 72 33.918 -3.812 8.827 1.00 6.69 O ATOM 337 CB ASP A 72 34.811 -5.769 6.251 1.00 7.48 C ATOM 338 CG ASP A 72 35.178 -7.240 6.224 1.00 9.94 C ATOM 339 OD1 ASP A 72 35.455 -7.802 7.305 1.00 10.76 O ATOM 340 OD2 ASP A 72 35.188 -7.829 5.124 1.00 11.22 O ATOM 0 H ASP A 72 32.496 -6.111 5.468 1.00 8.67 H new ATOM 0 HA ASP A 72 33.620 -6.163 7.995 1.00 8.27 H new ATOM 0 HB2 ASP A 72 34.601 -5.431 5.236 1.00 7.48 H new ATOM 0 HB3 ASP A 72 35.663 -5.191 6.610 1.00 7.48 H new ATOM 345 N THR A 73 33.384 -3.101 6.759 1.00 6.89 N ATOM 346 CA THR A 73 33.398 -1.691 7.129 1.00 7.26 C ATOM 347 C THR A 73 32.371 -1.421 8.223 1.00 10.29 C ATOM 348 O THR A 73 32.726 -1.140 9.368 1.00 11.52 O ATOM 349 CB THR A 73 33.106 -0.814 5.903 1.00 6.37 C ATOM 350 OG1 THR A 73 34.206 -0.824 5.010 1.00 6.32 O ATOM 351 CG2 THR A 73 32.805 0.634 6.244 1.00 7.36 C ATOM 0 H THR A 73 33.158 -3.280 5.781 1.00 6.89 H new ATOM 0 HA THR A 73 34.389 -1.443 7.509 1.00 7.26 H new ATOM 0 HB THR A 73 32.216 -1.249 5.448 1.00 6.37 H new ATOM 0 HG1 THR A 73 34.126 -1.588 4.401 1.00 6.32 H new ATOM 0 HG21 THR A 73 32.609 1.190 5.327 1.00 7.36 H new ATOM 0 HG22 THR A 73 31.929 0.681 6.891 1.00 7.36 H new ATOM 0 HG23 THR A 73 33.660 1.072 6.759 1.00 7.36 H new ATOM 359 N LEU A 74 31.097 -1.506 7.859 1.00 11.63 N ATOM 360 CA LEU A 74 30.017 -1.268 8.806 1.00 14.52 C ATOM 361 C LEU A 74 30.209 -2.085 10.078 1.00 16.19 C ATOM 362 O LEU A 74 29.902 -1.621 11.176 1.00 18.45 O ATOM 363 CB LEU A 74 28.671 -1.592 8.162 1.00 15.30 C ATOM 364 CG LEU A 74 28.229 -0.611 7.073 1.00 15.41 C ATOM 365 CD1 LEU A 74 26.764 -0.817 6.740 1.00 17.69 C ATOM 366 CD2 LEU A 74 28.482 0.824 7.513 1.00 15.53 C ATOM 0 H LEU A 74 30.788 -1.738 6.915 1.00 11.63 H new ATOM 0 HA LEU A 74 30.033 -0.213 9.081 1.00 14.52 H new ATOM 0 HB2 LEU A 74 28.721 -2.592 7.732 1.00 15.30 H new ATOM 0 HB3 LEU A 74 27.908 -1.617 8.940 1.00 15.30 H new ATOM 0 HG LEU A 74 28.817 -0.802 6.175 1.00 15.41 H new ATOM 0 HD11 LEU A 74 26.465 -0.112 5.964 1.00 17.69 H new ATOM 0 HD12 LEU A 74 26.612 -1.836 6.383 1.00 17.69 H new ATOM 0 HD13 LEU A 74 26.161 -0.651 7.633 1.00 17.69 H new ATOM 0 HD21 LEU A 74 28.162 1.508 6.727 1.00 15.53 H new ATOM 0 HD22 LEU A 74 27.920 1.030 8.424 1.00 15.53 H new ATOM 0 HD23 LEU A 74 29.546 0.964 7.704 1.00 15.53 H new ATOM 378 N LYS A 75 30.725 -3.298 9.926 1.00 15.45 N ATOM 379 CA LYS A 75 30.965 -4.170 11.071 1.00 17.47 C ATOM 380 C LYS A 75 31.848 -3.465 12.092 1.00 17.41 C ATOM 381 O LYS A 75 31.399 -3.106 13.181 1.00 19.30 O ATOM 382 CB LYS A 75 31.630 -5.472 10.623 1.00 17.46 C ATOM 383 CG LYS A 75 32.052 -6.368 11.776 1.00 17.57 C ATOM 384 CD LYS A 75 31.809 -7.835 11.460 1.00 18.54 C ATOM 385 CE LYS A 75 33.079 -8.520 10.981 1.00 19.69 C ATOM 386 NZ LYS A 75 34.050 -8.731 12.090 1.00 20.91 N ATOM 0 H LYS A 75 30.985 -3.700 9.025 1.00 15.45 H new ATOM 0 HA LYS A 75 30.005 -4.406 11.531 1.00 17.47 H new ATOM 0 HB2 LYS A 75 30.940 -6.020 9.981 1.00 17.46 H new ATOM 0 HB3 LYS A 75 32.506 -5.234 10.019 1.00 17.46 H new ATOM 0 HG2 LYS A 75 33.109 -6.212 11.992 1.00 17.57 H new ATOM 0 HG3 LYS A 75 31.499 -6.092 12.674 1.00 17.57 H new ATOM 0 HD2 LYS A 75 31.434 -8.342 12.349 1.00 18.54 H new ATOM 0 HD3 LYS A 75 31.038 -7.920 10.695 1.00 18.54 H new ATOM 0 HE2 LYS A 75 32.826 -9.481 10.533 1.00 19.69 H new ATOM 0 HE3 LYS A 75 33.544 -7.917 10.201 1.00 19.69 H new ATOM 0 HZ1 LYS A 75 34.767 -9.425 11.797 1.00 20.91 H new ATOM 0 HZ2 LYS A 75 34.515 -7.830 12.320 1.00 20.91 H new ATOM 0 HZ3 LYS A 75 33.547 -9.086 12.929 1.00 20.91 H new ATOM 400 N ASP A 76 33.108 -3.270 11.724 1.00 15.23 N ATOM 401 CA ASP A 76 34.068 -2.604 12.597 1.00 14.93 C ATOM 402 C ASP A 76 33.629 -1.173 12.897 1.00 15.21 C ATOM 403 O ASP A 76 33.976 -0.614 13.937 1.00 16.05 O ATOM 404 CB ASP A 76 35.455 -2.600 11.953 1.00 12.42 C ATOM 405 CG ASP A 76 36.323 -3.742 12.442 1.00 11.70 C ATOM 406 OD1 ASP A 76 36.109 -4.887 11.990 1.00 11.73 O ATOM 407 OD2 ASP A 76 37.218 -3.493 13.277 1.00 11.13 O ATOM 0 H ASP A 76 33.490 -3.564 10.825 1.00 15.23 H new ATOM 0 HA ASP A 76 34.112 -3.155 13.536 1.00 14.93 H new ATOM 0 HB2 ASP A 76 35.350 -2.665 10.870 1.00 12.42 H new ATOM 0 HB3 ASP A 76 35.950 -1.653 12.169 1.00 12.42 H new ATOM 412 N LEU A 77 32.863 -0.587 11.981 1.00 14.87 N ATOM 413 CA LEU A 77 32.376 0.776 12.149 1.00 15.88 C ATOM 414 C LEU A 77 31.368 0.849 13.296 1.00 18.48 C ATOM 415 O LEU A 77 31.577 1.571 14.271 1.00 19.24 O ATOM 416 CB LEU A 77 31.762 1.271 10.830 1.00 16.26 C ATOM 417 CG LEU A 77 30.693 2.366 10.942 1.00 18.34 C ATOM 418 CD1 LEU A 77 31.100 3.419 11.961 1.00 18.41 C ATOM 419 CD2 LEU A 77 30.446 3.006 9.584 1.00 19.18 C ATOM 0 H LEU A 77 32.567 -1.036 11.115 1.00 14.87 H new ATOM 0 HA LEU A 77 33.211 1.428 12.406 1.00 15.88 H new ATOM 0 HB2 LEU A 77 32.567 1.644 10.197 1.00 16.26 H new ATOM 0 HB3 LEU A 77 31.322 0.416 10.316 1.00 16.26 H new ATOM 0 HG LEU A 77 29.766 1.905 11.283 1.00 18.34 H new ATOM 0 HD11 LEU A 77 30.326 4.184 12.022 1.00 18.41 H new ATOM 0 HD12 LEU A 77 31.226 2.951 12.937 1.00 18.41 H new ATOM 0 HD13 LEU A 77 32.040 3.877 11.655 1.00 18.41 H new ATOM 0 HD21 LEU A 77 29.685 3.781 9.680 1.00 19.18 H new ATOM 0 HD22 LEU A 77 31.372 3.450 9.217 1.00 19.18 H new ATOM 0 HD23 LEU A 77 30.104 2.247 8.881 1.00 19.18 H new ATOM 431 N TYR A 78 30.280 0.098 13.177 1.00 19.93 N ATOM 432 CA TYR A 78 29.254 0.082 14.212 1.00 22.53 C ATOM 433 C TYR A 78 29.841 -0.370 15.545 1.00 24.06 C ATOM 434 O TYR A 78 29.313 -0.046 16.609 1.00 26.15 O ATOM 435 CB TYR A 78 28.099 -0.835 13.806 1.00 23.04 C ATOM 436 CG TYR A 78 27.308 -0.320 12.625 1.00 23.54 C ATOM 437 CD1 TYR A 78 27.049 1.053 12.475 1.00 24.59 C ATOM 438 CD2 TYR A 78 26.815 -1.202 11.648 1.00 23.18 C ATOM 439 CE1 TYR A 78 26.320 1.534 11.385 1.00 25.06 C ATOM 440 CE2 TYR A 78 26.083 -0.728 10.554 1.00 23.85 C ATOM 441 CZ TYR A 78 25.839 0.640 10.428 1.00 24.69 C ATOM 442 OH TYR A 78 25.120 1.110 9.354 1.00 25.36 O ATOM 0 H TYR A 78 30.086 -0.505 12.378 1.00 19.93 H new ATOM 0 HA TYR A 78 28.872 1.096 14.328 1.00 22.53 H new ATOM 0 HB2 TYR A 78 28.496 -1.821 13.565 1.00 23.04 H new ATOM 0 HB3 TYR A 78 27.428 -0.960 14.656 1.00 23.04 H new ATOM 0 HD1 TYR A 78 27.420 1.747 13.214 1.00 24.59 H new ATOM 0 HD2 TYR A 78 27.004 -2.261 11.743 1.00 23.18 H new ATOM 0 HE1 TYR A 78 26.130 2.592 11.284 1.00 25.06 H new ATOM 0 HE2 TYR A 78 25.709 -1.417 9.811 1.00 23.85 H new ATOM 0 HH TYR A 78 24.198 1.292 9.632 1.00 25.36 H new ATOM 452 N LYS A 79 30.941 -1.114 15.480 1.00 23.08 N ATOM 453 CA LYS A 79 31.603 -1.605 16.682 1.00 24.38 C ATOM 454 C LYS A 79 32.221 -0.450 17.464 1.00 25.83 C ATOM 455 O LYS A 79 32.264 -0.472 18.694 1.00 27.34 O ATOM 456 CB LYS A 79 32.684 -2.623 16.316 1.00 23.19 C ATOM 457 CG LYS A 79 32.235 -4.067 16.466 1.00 22.86 C ATOM 458 CD LYS A 79 32.640 -4.637 17.816 1.00 24.34 C ATOM 459 CE LYS A 79 32.321 -6.120 17.912 1.00 24.70 C ATOM 460 NZ LYS A 79 32.141 -6.557 19.324 1.00 26.93 N ATOM 0 H LYS A 79 31.392 -1.390 14.608 1.00 23.08 H new ATOM 0 HA LYS A 79 30.856 -2.092 17.309 1.00 24.38 H new ATOM 0 HB2 LYS A 79 32.997 -2.454 15.286 1.00 23.19 H new ATOM 0 HB3 LYS A 79 33.557 -2.455 16.946 1.00 23.19 H new ATOM 0 HG2 LYS A 79 31.152 -4.126 16.354 1.00 22.86 H new ATOM 0 HG3 LYS A 79 32.671 -4.670 15.669 1.00 22.86 H new ATOM 0 HD2 LYS A 79 33.708 -4.482 17.972 1.00 24.34 H new ATOM 0 HD3 LYS A 79 32.121 -4.100 18.610 1.00 24.34 H new ATOM 0 HE2 LYS A 79 31.414 -6.334 17.347 1.00 24.70 H new ATOM 0 HE3 LYS A 79 33.125 -6.695 17.453 1.00 24.70 H new ATOM 0 HZ1 LYS A 79 31.925 -7.574 19.348 1.00 26.93 H new ATOM 0 HZ2 LYS A 79 33.015 -6.376 19.857 1.00 26.93 H new ATOM 0 HZ3 LYS A 79 31.357 -6.026 19.754 1.00 26.93 H new ATOM 474 N LYS A 80 32.700 0.557 16.740 1.00 25.51 N ATOM 475 CA LYS A 80 33.315 1.721 17.363 1.00 26.81 C ATOM 476 C LYS A 80 32.275 2.561 18.096 1.00 28.92 C ATOM 477 O LYS A 80 32.585 3.230 19.083 1.00 30.58 O ATOM 478 CB LYS A 80 34.024 2.574 16.309 1.00 25.49 C ATOM 479 CG LYS A 80 34.728 3.790 16.886 1.00 23.98 C ATOM 480 CD LYS A 80 35.110 4.782 15.799 1.00 22.27 C ATOM 481 CE LYS A 80 35.898 5.952 16.366 1.00 21.57 C ATOM 482 NZ LYS A 80 37.131 6.224 15.576 1.00 21.10 N ATOM 0 H LYS A 80 32.673 0.589 15.721 1.00 25.51 H new ATOM 0 HA LYS A 80 34.047 1.368 18.089 1.00 26.81 H new ATOM 0 HB2 LYS A 80 34.753 1.957 15.784 1.00 25.49 H new ATOM 0 HB3 LYS A 80 33.294 2.904 15.569 1.00 25.49 H new ATOM 0 HG2 LYS A 80 34.078 4.277 17.612 1.00 23.98 H new ATOM 0 HG3 LYS A 80 35.623 3.473 17.422 1.00 23.98 H new ATOM 0 HD2 LYS A 80 35.703 4.277 15.036 1.00 22.27 H new ATOM 0 HD3 LYS A 80 34.209 5.152 15.309 1.00 22.27 H new ATOM 0 HE2 LYS A 80 35.269 6.842 16.376 1.00 21.57 H new ATOM 0 HE3 LYS A 80 36.169 5.741 17.401 1.00 21.57 H new ATOM 0 HZ1 LYS A 80 37.641 7.028 15.994 1.00 21.10 H new ATOM 0 HZ2 LYS A 80 37.743 5.383 15.587 1.00 21.10 H new ATOM 0 HZ3 LYS A 80 36.872 6.451 14.595 1.00 21.10 H new ATOM 496 N THR A 81 31.040 2.523 17.608 1.00 29.00 N ATOM 497 CA THR A 81 29.952 3.281 18.215 1.00 31.13 C ATOM 498 C THR A 81 29.655 2.780 19.624 1.00 33.55 C ATOM 499 O THR A 81 29.658 3.554 20.582 1.00 34.44 O ATOM 500 CB THR A 81 28.696 3.187 17.352 1.00 31.20 C ATOM 501 OG1 THR A 81 28.944 2.425 16.184 1.00 29.46 O ATOM 502 CG2 THR A 81 28.167 4.537 16.917 1.00 30.93 C ATOM 0 H THR A 81 30.767 1.974 16.793 1.00 29.00 H new ATOM 0 HA THR A 81 30.263 4.324 18.281 1.00 31.13 H new ATOM 0 HB THR A 81 27.948 2.707 17.983 1.00 31.20 H new ATOM 0 HG1 THR A 81 28.717 1.486 16.351 1.00 29.46 H new ATOM 0 HG21 THR A 81 27.274 4.399 16.307 1.00 30.93 H new ATOM 0 HG22 THR A 81 27.917 5.131 17.796 1.00 30.93 H new ATOM 0 HG23 THR A 81 28.928 5.055 16.334 1.00 30.93 H new ATOM 566 N ASP B 54 25.023 -5.705 18.661 1.00 33.27 N ATOM 567 CA ASP B 54 24.108 -5.131 17.681 1.00 30.44 C ATOM 568 C ASP B 54 24.874 -4.587 16.480 1.00 29.79 C ATOM 569 O ASP B 54 24.348 -4.535 15.368 1.00 28.67 O ATOM 570 CB ASP B 54 23.280 -4.015 18.321 1.00 29.67 C ATOM 571 CG ASP B 54 21.865 -4.456 18.643 1.00 27.39 C ATOM 572 OD1 ASP B 54 21.695 -5.586 19.147 1.00 26.94 O ATOM 573 OD2 ASP B 54 20.928 -3.670 18.391 1.00 26.08 O ATOM 0 HA ASP B 54 23.438 -5.919 17.337 1.00 30.44 H new ATOM 0 HB2 ASP B 54 23.770 -3.681 19.235 1.00 29.67 H new ATOM 0 HB3 ASP B 54 23.246 -3.159 17.647 1.00 29.67 H new ATOM 578 N ALA B 55 26.119 -4.184 16.712 1.00 30.59 N ATOM 579 CA ALA B 55 26.956 -3.647 15.647 1.00 30.14 C ATOM 580 C ALA B 55 27.040 -4.619 14.477 1.00 28.19 C ATOM 581 O ALA B 55 27.044 -4.212 13.316 1.00 26.71 O ATOM 582 CB ALA B 55 28.347 -3.334 16.177 1.00 32.50 C ATOM 0 H ALA B 55 26.569 -4.219 17.627 1.00 30.59 H new ATOM 0 HA ALA B 55 26.501 -2.724 15.288 1.00 30.14 H new ATOM 0 HB1 ALA B 55 28.962 -2.934 15.371 1.00 32.50 H new ATOM 0 HB2 ALA B 55 28.274 -2.598 16.978 1.00 32.50 H new ATOM 0 HB3 ALA B 55 28.803 -4.246 16.563 1.00 32.50 H new ATOM 588 N GLU B 56 27.106 -5.908 14.793 1.00 28.38 N ATOM 589 CA GLU B 56 27.188 -6.943 13.769 1.00 26.87 C ATOM 590 C GLU B 56 25.844 -7.124 13.074 1.00 24.42 C ATOM 591 O GLU B 56 25.774 -7.212 11.848 1.00 24.21 O ATOM 592 CB GLU B 56 27.637 -8.266 14.390 1.00 28.29 C ATOM 593 CG GLU B 56 28.536 -9.089 13.480 1.00 29.76 C ATOM 594 CD GLU B 56 28.247 -10.575 13.567 1.00 29.55 C ATOM 595 OE1 GLU B 56 27.415 -10.970 14.410 1.00 29.11 O ATOM 596 OE2 GLU B 56 28.852 -11.343 12.790 1.00 30.06 O ATOM 0 H GLU B 56 27.104 -6.261 15.750 1.00 28.38 H new ATOM 0 HA GLU B 56 27.922 -6.631 13.026 1.00 26.87 H new ATOM 0 HB2 GLU B 56 28.166 -8.060 15.321 1.00 28.29 H new ATOM 0 HB3 GLU B 56 26.757 -8.855 14.647 1.00 28.29 H new ATOM 0 HG2 GLU B 56 28.407 -8.757 12.450 1.00 29.76 H new ATOM 0 HG3 GLU B 56 29.578 -8.909 13.745 1.00 29.76 H new ATOM 603 N ARG B 57 24.777 -7.180 13.865 1.00 22.73 N ATOM 604 CA ARG B 57 23.433 -7.349 13.326 1.00 20.32 C ATOM 605 C ARG B 57 23.131 -6.290 12.272 1.00 18.47 C ATOM 606 O ARG B 57 22.454 -6.561 11.280 1.00 17.57 O ATOM 607 CB ARG B 57 22.399 -7.276 14.451 1.00 19.23 C ATOM 608 CG ARG B 57 21.779 -8.617 14.800 1.00 19.83 C ATOM 609 CD ARG B 57 22.763 -9.517 15.531 1.00 20.48 C ATOM 610 NE ARG B 57 22.558 -9.488 16.978 1.00 22.33 N ATOM 611 CZ ARG B 57 23.309 -10.164 17.841 1.00 23.91 C ATOM 612 NH1 ARG B 57 24.309 -10.919 17.406 1.00 23.78 N ATOM 613 NH2 ARG B 57 23.059 -10.087 19.142 1.00 25.73 N ATOM 0 H ARG B 57 24.818 -7.111 14.882 1.00 22.73 H new ATOM 0 HA ARG B 57 23.378 -8.330 12.853 1.00 20.32 H new ATOM 0 HB2 ARG B 57 22.873 -6.862 15.341 1.00 19.23 H new ATOM 0 HB3 ARG B 57 21.608 -6.585 14.161 1.00 19.23 H new ATOM 0 HG2 ARG B 57 20.898 -8.460 15.422 1.00 19.83 H new ATOM 0 HG3 ARG B 57 21.442 -9.111 13.889 1.00 19.83 H new ATOM 0 HD2 ARG B 57 22.657 -10.540 15.170 1.00 20.48 H new ATOM 0 HD3 ARG B 57 23.781 -9.203 15.302 1.00 20.48 H new ATOM 0 HE ARG B 57 21.797 -8.917 17.346 1.00 22.33 H new ATOM 0 HH11 ARG B 57 24.503 -10.982 16.407 1.00 23.78 H new ATOM 0 HH12 ARG B 57 24.884 -11.437 18.071 1.00 23.78 H new ATOM 0 HH21 ARG B 57 22.290 -9.509 19.480 1.00 25.73 H new ATOM 0 HH22 ARG B 57 23.636 -10.606 19.804 1.00 25.73 H new ATOM 627 N LEU B 58 23.639 -5.082 12.493 1.00 18.08 N ATOM 628 CA LEU B 58 23.425 -3.981 11.562 1.00 16.34 C ATOM 629 C LEU B 58 24.271 -4.156 10.308 1.00 16.33 C ATOM 630 O LEU B 58 23.748 -4.223 9.196 1.00 15.42 O ATOM 631 CB LEU B 58 23.756 -2.645 12.229 1.00 15.28 C ATOM 632 CG LEU B 58 23.002 -2.365 13.530 1.00 14.98 C ATOM 633 CD1 LEU B 58 23.722 -1.301 14.342 1.00 15.51 C ATOM 634 CD2 LEU B 58 21.572 -1.937 13.237 1.00 12.79 C ATOM 0 H LEU B 58 24.202 -4.841 13.309 1.00 18.08 H new ATOM 0 HA LEU B 58 22.374 -3.985 11.274 1.00 16.34 H new ATOM 0 HB2 LEU B 58 24.826 -2.614 12.434 1.00 15.28 H new ATOM 0 HB3 LEU B 58 23.543 -1.842 11.524 1.00 15.28 H new ATOM 0 HG LEU B 58 22.971 -3.284 14.116 1.00 14.98 H new ATOM 0 HD11 LEU B 58 23.173 -1.113 15.265 1.00 15.51 H new ATOM 0 HD12 LEU B 58 24.728 -1.645 14.582 1.00 15.51 H new ATOM 0 HD13 LEU B 58 23.783 -0.380 13.762 1.00 15.51 H new ATOM 0 HD21 LEU B 58 21.051 -1.742 14.174 1.00 12.79 H new ATOM 0 HD22 LEU B 58 21.580 -1.031 12.631 1.00 12.79 H new ATOM 0 HD23 LEU B 58 21.058 -2.731 12.695 1.00 12.79 H new ATOM 646 N ALA B 59 25.584 -4.236 10.496 1.00 17.41 N ATOM 647 CA ALA B 59 26.516 -4.407 9.383 1.00 17.63 C ATOM 648 C ALA B 59 25.996 -5.435 8.384 1.00 18.55 C ATOM 649 O ALA B 59 26.272 -5.350 7.187 1.00 19.09 O ATOM 650 CB ALA B 59 27.886 -4.817 9.903 1.00 17.91 C ATOM 0 H ALA B 59 26.030 -4.185 11.412 1.00 17.41 H new ATOM 0 HA ALA B 59 26.606 -3.452 8.865 1.00 17.63 H new ATOM 0 HB1 ALA B 59 28.571 -4.941 9.064 1.00 17.91 H new ATOM 0 HB2 ALA B 59 28.267 -4.045 10.572 1.00 17.91 H new ATOM 0 HB3 ALA B 59 27.802 -5.759 10.446 1.00 17.91 H new ATOM 656 N ASP B 60 25.237 -6.400 8.888 1.00 18.99 N ATOM 657 CA ASP B 60 24.668 -7.443 8.044 1.00 20.08 C ATOM 658 C ASP B 60 23.355 -6.982 7.424 1.00 18.44 C ATOM 659 O ASP B 60 23.053 -7.302 6.274 1.00 18.89 O ATOM 660 CB ASP B 60 24.448 -8.724 8.851 1.00 22.24 C ATOM 661 CG ASP B 60 24.219 -9.934 7.965 1.00 23.01 C ATOM 662 OD1 ASP B 60 24.545 -9.859 6.762 1.00 23.15 O ATOM 663 OD2 ASP B 60 23.714 -10.957 8.475 1.00 23.75 O ATOM 0 H ASP B 60 25.001 -6.482 9.877 1.00 18.99 H new ATOM 0 HA ASP B 60 25.375 -7.651 7.240 1.00 20.08 H new ATOM 0 HB2 ASP B 60 25.315 -8.902 9.488 1.00 22.24 H new ATOM 0 HB3 ASP B 60 23.590 -8.592 9.510 1.00 22.24 H new ATOM 668 N GLU B 61 22.580 -6.221 8.188 1.00 16.70 N ATOM 669 CA GLU B 61 21.304 -5.711 7.710 1.00 15.38 C ATOM 670 C GLU B 61 21.520 -4.620 6.666 1.00 13.40 C ATOM 671 O GLU B 61 20.908 -4.633 5.598 1.00 12.95 O ATOM 672 CB GLU B 61 20.480 -5.162 8.876 1.00 15.06 C ATOM 673 CG GLU B 61 19.068 -4.756 8.485 1.00 13.10 C ATOM 674 CD GLU B 61 18.243 -5.925 7.985 1.00 14.01 C ATOM 675 OE1 GLU B 61 17.848 -6.770 8.814 1.00 16.28 O ATOM 676 OE2 GLU B 61 17.990 -5.994 6.764 1.00 12.89 O ATOM 0 H GLU B 61 22.815 -5.944 9.141 1.00 16.70 H new ATOM 0 HA GLU B 61 20.758 -6.534 7.248 1.00 15.38 H new ATOM 0 HB2 GLU B 61 20.428 -5.917 9.661 1.00 15.06 H new ATOM 0 HB3 GLU B 61 20.994 -4.298 9.298 1.00 15.06 H new ATOM 0 HG2 GLU B 61 18.572 -4.307 9.345 1.00 13.10 H new ATOM 0 HG3 GLU B 61 19.115 -3.991 7.710 1.00 13.10 H new ATOM 683 N GLN B 62 22.400 -3.674 6.983 1.00 12.48 N ATOM 684 CA GLN B 62 22.699 -2.575 6.075 1.00 11.19 C ATOM 685 C GLN B 62 23.452 -3.069 4.841 1.00 10.15 C ATOM 686 O GLN B 62 23.255 -2.553 3.740 1.00 9.66 O ATOM 687 CB GLN B 62 23.526 -1.501 6.785 1.00 11.73 C ATOM 688 CG GLN B 62 23.162 -1.292 8.246 1.00 14.03 C ATOM 689 CD GLN B 62 21.665 -1.240 8.486 1.00 13.92 C ATOM 690 OE1 GLN B 62 20.869 -1.295 7.550 1.00 13.28 O ATOM 691 NE2 GLN B 62 21.279 -1.128 9.752 1.00 14.99 N ATOM 0 H GLN B 62 22.917 -3.648 7.862 1.00 12.48 H new ATOM 0 HA GLN B 62 21.750 -2.144 5.755 1.00 11.19 H new ATOM 0 HB2 GLN B 62 24.580 -1.770 6.721 1.00 11.73 H new ATOM 0 HB3 GLN B 62 23.405 -0.557 6.254 1.00 11.73 H new ATOM 0 HG2 GLN B 62 23.591 -2.099 8.840 1.00 14.03 H new ATOM 0 HG3 GLN B 62 23.612 -0.364 8.597 1.00 14.03 H new ATOM 0 HE21 GLN B 62 21.976 -1.086 10.496 1.00 14.99 H new ATOM 0 HE22 GLN B 62 20.286 -1.084 9.980 1.00 14.99 H new ATOM 700 N SER B 63 24.317 -4.066 5.025 1.00 10.47 N ATOM 701 CA SER B 63 25.089 -4.608 3.911 1.00 10.35 C ATOM 702 C SER B 63 24.177 -5.298 2.905 1.00 8.21 C ATOM 703 O SER B 63 24.186 -4.968 1.719 1.00 7.49 O ATOM 704 CB SER B 63 26.148 -5.590 4.417 1.00 12.59 C ATOM 705 OG SER B 63 25.557 -6.636 5.164 1.00 12.16 O ATOM 0 H SER B 63 24.499 -4.510 5.925 1.00 10.47 H new ATOM 0 HA SER B 63 25.589 -3.777 3.413 1.00 10.35 H new ATOM 0 HB2 SER B 63 26.695 -6.007 3.572 1.00 12.59 H new ATOM 0 HB3 SER B 63 26.873 -5.061 5.036 1.00 12.59 H new ATOM 0 HG SER B 63 25.572 -6.407 6.117 1.00 12.16 H new ATOM 711 N GLU B 64 23.386 -6.252 3.384 1.00 7.59 N ATOM 712 CA GLU B 64 22.467 -6.978 2.523 1.00 5.66 C ATOM 713 C GLU B 64 21.601 -6.009 1.725 1.00 3.82 C ATOM 714 O GLU B 64 21.184 -6.307 0.606 1.00 3.37 O ATOM 715 CB GLU B 64 21.589 -7.912 3.357 1.00 5.37 C ATOM 716 CG GLU B 64 20.641 -7.186 4.298 1.00 6.24 C ATOM 717 CD GLU B 64 19.223 -7.713 4.216 1.00 6.01 C ATOM 718 OE1 GLU B 64 18.904 -8.676 4.946 1.00 7.73 O ATOM 719 OE2 GLU B 64 18.430 -7.163 3.423 1.00 4.36 O ATOM 0 H GLU B 64 23.365 -6.538 4.363 1.00 7.59 H new ATOM 0 HA GLU B 64 23.049 -7.576 1.822 1.00 5.66 H new ATOM 0 HB2 GLU B 64 21.007 -8.544 2.686 1.00 5.37 H new ATOM 0 HB3 GLU B 64 22.230 -8.573 3.941 1.00 5.37 H new ATOM 0 HG2 GLU B 64 21.003 -7.286 5.321 1.00 6.24 H new ATOM 0 HG3 GLU B 64 20.644 -6.122 4.061 1.00 6.24 H new ATOM 726 N LEU B 65 21.340 -4.842 2.308 1.00 3.08 N ATOM 727 CA LEU B 65 20.532 -3.824 1.653 1.00 2.51 C ATOM 728 C LEU B 65 21.253 -3.263 0.432 1.00 2.21 C ATOM 729 O LEU B 65 20.631 -2.963 -0.586 1.00 2.99 O ATOM 730 CB LEU B 65 20.203 -2.694 2.633 1.00 2.28 C ATOM 731 CG LEU B 65 18.724 -2.567 3.001 1.00 4.28 C ATOM 732 CD1 LEU B 65 18.563 -2.357 4.498 1.00 5.36 C ATOM 733 CD2 LEU B 65 18.081 -1.425 2.228 1.00 4.54 C ATOM 0 H LEU B 65 21.678 -4.580 3.234 1.00 3.08 H new ATOM 0 HA LEU B 65 19.603 -4.288 1.322 1.00 2.51 H new ATOM 0 HB2 LEU B 65 20.777 -2.847 3.547 1.00 2.28 H new ATOM 0 HB3 LEU B 65 20.537 -1.750 2.201 1.00 2.28 H new ATOM 0 HG LEU B 65 18.219 -3.494 2.729 1.00 4.28 H new ATOM 0 HD11 LEU B 65 17.504 -2.269 4.741 1.00 5.36 H new ATOM 0 HD12 LEU B 65 18.989 -3.206 5.032 1.00 5.36 H new ATOM 0 HD13 LEU B 65 19.081 -1.445 4.795 1.00 5.36 H new ATOM 0 HD21 LEU B 65 17.029 -1.348 2.501 1.00 4.54 H new ATOM 0 HD22 LEU B 65 18.588 -0.491 2.470 1.00 4.54 H new ATOM 0 HD23 LEU B 65 18.165 -1.617 1.158 1.00 4.54 H new ATOM 745 N VAL B 66 22.570 -3.121 0.541 1.00 1.63 N ATOM 746 CA VAL B 66 23.372 -2.596 -0.555 1.00 1.96 C ATOM 747 C VAL B 66 23.390 -3.562 -1.734 1.00 3.47 C ATOM 748 O VAL B 66 23.426 -3.143 -2.891 1.00 4.29 O ATOM 749 CB VAL B 66 24.820 -2.319 -0.110 1.00 4.64 C ATOM 750 CG1 VAL B 66 25.523 -1.413 -1.108 1.00 5.40 C ATOM 751 CG2 VAL B 66 24.842 -1.709 1.284 1.00 6.10 C ATOM 0 H VAL B 66 23.103 -3.362 1.377 1.00 1.63 H new ATOM 0 HA VAL B 66 22.910 -1.658 -0.864 1.00 1.96 H new ATOM 0 HB VAL B 66 25.358 -3.267 -0.076 1.00 4.64 H new ATOM 0 HG11 VAL B 66 26.545 -1.229 -0.776 1.00 5.40 H new ATOM 0 HG12 VAL B 66 25.541 -1.894 -2.086 1.00 5.40 H new ATOM 0 HG13 VAL B 66 24.989 -0.466 -1.179 1.00 5.40 H new ATOM 0 HG21 VAL B 66 25.873 -1.520 1.582 1.00 6.10 H new ATOM 0 HG22 VAL B 66 24.288 -0.770 1.279 1.00 6.10 H new ATOM 0 HG23 VAL B 66 24.381 -2.399 1.990 1.00 6.10 H new ATOM 761 N LYS B 67 23.366 -4.855 -1.433 1.00 4.89 N ATOM 762 CA LYS B 67 23.380 -5.879 -2.470 1.00 7.24 C ATOM 763 C LYS B 67 22.157 -5.757 -3.371 1.00 8.57 C ATOM 764 O LYS B 67 22.282 -5.511 -4.569 1.00 9.38 O ATOM 765 CB LYS B 67 23.433 -7.273 -1.844 1.00 9.38 C ATOM 766 CG LYS B 67 23.881 -8.358 -2.810 1.00 9.75 C ATOM 767 CD LYS B 67 23.249 -9.698 -2.472 1.00 12.31 C ATOM 768 CE LYS B 67 22.128 -10.046 -3.437 1.00 13.29 C ATOM 769 NZ LYS B 67 21.426 -11.299 -3.044 1.00 15.65 N ATOM 0 H LYS B 67 23.337 -5.219 -0.480 1.00 4.89 H new ATOM 0 HA LYS B 67 24.272 -5.731 -3.078 1.00 7.24 H new ATOM 0 HB2 LYS B 67 24.113 -7.254 -0.992 1.00 9.38 H new ATOM 0 HB3 LYS B 67 22.446 -7.527 -1.459 1.00 9.38 H new ATOM 0 HG2 LYS B 67 23.613 -8.074 -3.828 1.00 9.75 H new ATOM 0 HG3 LYS B 67 24.967 -8.448 -2.780 1.00 9.75 H new ATOM 0 HD2 LYS B 67 24.010 -10.478 -2.501 1.00 12.31 H new ATOM 0 HD3 LYS B 67 22.859 -9.671 -1.455 1.00 12.31 H new ATOM 0 HE2 LYS B 67 21.412 -9.225 -3.473 1.00 13.29 H new ATOM 0 HE3 LYS B 67 22.536 -10.158 -4.442 1.00 13.29 H new ATOM 0 HZ1 LYS B 67 20.669 -11.502 -3.727 1.00 15.65 H new ATOM 0 HZ2 LYS B 67 22.103 -12.088 -3.034 1.00 15.65 H new ATOM 0 HZ3 LYS B 67 21.015 -11.184 -2.096 1.00 15.65 H new ATOM 783 N LYS B 68 20.974 -5.927 -2.789 1.00 9.33 N ATOM 784 CA LYS B 68 19.734 -5.829 -3.551 1.00 11.18 C ATOM 785 C LYS B 68 19.658 -4.492 -4.279 1.00 11.08 C ATOM 786 O LYS B 68 19.007 -4.374 -5.318 1.00 12.07 O ATOM 787 CB LYS B 68 18.524 -5.997 -2.630 1.00 11.26 C ATOM 788 CG LYS B 68 18.280 -4.805 -1.720 1.00 11.10 C ATOM 789 CD LYS B 68 17.422 -5.183 -0.523 1.00 12.89 C ATOM 790 CE LYS B 68 15.969 -5.389 -0.922 1.00 14.45 C ATOM 791 NZ LYS B 68 15.247 -6.268 0.041 1.00 16.67 N ATOM 0 H LYS B 68 20.848 -6.132 -1.798 1.00 9.33 H new ATOM 0 HA LYS B 68 19.723 -6.630 -4.291 1.00 11.18 H new ATOM 0 HB2 LYS B 68 17.636 -6.166 -3.239 1.00 11.26 H new ATOM 0 HB3 LYS B 68 18.665 -6.888 -2.018 1.00 11.26 H new ATOM 0 HG2 LYS B 68 19.235 -4.409 -1.374 1.00 11.10 H new ATOM 0 HG3 LYS B 68 17.791 -4.010 -2.283 1.00 11.10 H new ATOM 0 HD2 LYS B 68 17.809 -6.096 -0.070 1.00 12.89 H new ATOM 0 HD3 LYS B 68 17.485 -4.400 0.233 1.00 12.89 H new ATOM 0 HE2 LYS B 68 15.467 -4.423 -0.978 1.00 14.45 H new ATOM 0 HE3 LYS B 68 15.925 -5.829 -1.918 1.00 14.45 H new ATOM 0 HZ1 LYS B 68 14.260 -6.383 -0.267 1.00 16.67 H new ATOM 0 HZ2 LYS B 68 15.710 -7.199 0.076 1.00 16.67 H new ATOM 0 HZ3 LYS B 68 15.266 -5.836 0.987 1.00 16.67 H new ATOM 805 N MET B 69 20.334 -3.486 -3.730 1.00 10.46 N ATOM 806 CA MET B 69 20.347 -2.157 -4.328 1.00 11.17 C ATOM 807 C MET B 69 21.212 -2.137 -5.585 1.00 12.49 C ATOM 808 O MET B 69 20.764 -1.720 -6.654 1.00 13.11 O ATOM 809 CB MET B 69 20.866 -1.128 -3.323 1.00 9.35 C ATOM 810 CG MET B 69 20.817 0.303 -3.835 1.00 10.09 C ATOM 811 SD MET B 69 21.659 1.460 -2.740 1.00 10.04 S ATOM 812 CE MET B 69 23.305 0.754 -2.702 1.00 8.56 C ATOM 0 H MET B 69 20.879 -3.567 -2.872 1.00 10.46 H new ATOM 0 HA MET B 69 19.325 -1.900 -4.606 1.00 11.17 H new ATOM 0 HB2 MET B 69 20.278 -1.198 -2.408 1.00 9.35 H new ATOM 0 HB3 MET B 69 21.894 -1.376 -3.060 1.00 9.35 H new ATOM 0 HG2 MET B 69 21.273 0.347 -4.824 1.00 10.09 H new ATOM 0 HG3 MET B 69 19.777 0.608 -3.950 1.00 10.09 H new ATOM 0 HE1 MET B 69 24.045 1.552 -2.767 1.00 8.56 H new ATOM 0 HE2 MET B 69 23.444 0.205 -1.771 1.00 8.56 H new ATOM 0 HE3 MET B 69 23.429 0.075 -3.545 1.00 8.56 H new ATOM 822 N VAL B 70 22.454 -2.591 -5.449 1.00 13.02 N ATOM 823 CA VAL B 70 23.380 -2.626 -6.573 1.00 14.36 C ATOM 824 C VAL B 70 23.065 -3.790 -7.509 1.00 15.48 C ATOM 825 O VAL B 70 23.441 -3.774 -8.681 1.00 15.35 O ATOM 826 CB VAL B 70 24.841 -2.737 -6.096 1.00 13.25 C ATOM 827 CG1 VAL B 70 25.793 -2.781 -7.281 1.00 13.86 C ATOM 828 CG2 VAL B 70 25.184 -1.580 -5.170 1.00 11.21 C ATOM 0 H VAL B 70 22.841 -2.939 -4.572 1.00 13.02 H new ATOM 0 HA VAL B 70 23.257 -1.688 -7.115 1.00 14.36 H new ATOM 0 HB VAL B 70 24.953 -3.668 -5.540 1.00 13.25 H new ATOM 0 HG11 VAL B 70 26.819 -2.859 -6.921 1.00 13.86 H new ATOM 0 HG12 VAL B 70 25.560 -3.645 -7.903 1.00 13.86 H new ATOM 0 HG13 VAL B 70 25.684 -1.870 -7.870 1.00 13.86 H new ATOM 0 HG21 VAL B 70 26.219 -1.672 -4.841 1.00 11.21 H new ATOM 0 HG22 VAL B 70 25.055 -0.637 -5.702 1.00 11.21 H new ATOM 0 HG23 VAL B 70 24.524 -1.600 -4.302 1.00 11.21 H new ATOM 838 N PHE B 71 22.368 -4.795 -6.988 1.00 16.87 N ATOM 839 CA PHE B 71 21.997 -5.960 -7.782 1.00 18.43 C ATOM 840 C PHE B 71 21.047 -5.556 -8.902 1.00 19.77 C ATOM 841 O PHE B 71 21.211 -5.968 -10.050 1.00 19.85 O ATOM 842 CB PHE B 71 21.344 -7.023 -6.899 1.00 20.29 C ATOM 843 CG PHE B 71 20.984 -8.281 -7.637 1.00 21.74 C ATOM 844 CD1 PHE B 71 21.924 -8.921 -8.457 1.00 22.20 C ATOM 845 CD2 PHE B 71 19.701 -8.835 -7.521 1.00 23.00 C ATOM 846 CE1 PHE B 71 21.592 -10.090 -9.147 1.00 23.88 C ATOM 847 CE2 PHE B 71 19.362 -10.004 -8.208 1.00 24.54 C ATOM 848 CZ PHE B 71 20.310 -10.633 -9.022 1.00 24.98 C ATOM 0 H PHE B 71 22.049 -4.826 -6.020 1.00 16.87 H new ATOM 0 HA PHE B 71 22.902 -6.379 -8.222 1.00 18.43 H new ATOM 0 HB2 PHE B 71 22.022 -7.272 -6.083 1.00 20.29 H new ATOM 0 HB3 PHE B 71 20.443 -6.606 -6.449 1.00 20.29 H new ATOM 0 HD1 PHE B 71 22.916 -8.506 -8.557 1.00 22.20 H new ATOM 0 HD2 PHE B 71 18.966 -8.353 -6.893 1.00 23.00 H new ATOM 0 HE1 PHE B 71 22.325 -10.573 -9.776 1.00 23.88 H new ATOM 0 HE2 PHE B 71 18.370 -10.421 -8.111 1.00 24.54 H new ATOM 0 HZ PHE B 71 20.052 -11.537 -9.553 1.00 24.98 H new ATOM 858 N ASP B 72 20.057 -4.739 -8.560 1.00 21.02 N ATOM 859 CA ASP B 72 19.084 -4.269 -9.537 1.00 22.78 C ATOM 860 C ASP B 72 19.745 -3.328 -10.537 1.00 21.88 C ATOM 861 O ASP B 72 19.486 -3.399 -11.739 1.00 22.20 O ATOM 862 CB ASP B 72 17.924 -3.557 -8.837 1.00 24.61 C ATOM 863 CG ASP B 72 16.659 -3.554 -9.674 1.00 26.96 C ATOM 864 OD1 ASP B 72 16.763 -3.730 -10.905 1.00 28.80 O ATOM 865 OD2 ASP B 72 15.566 -3.377 -9.096 1.00 27.06 O ATOM 0 H ASP B 72 19.908 -4.389 -7.614 1.00 21.02 H new ATOM 0 HA ASP B 72 18.693 -5.133 -10.074 1.00 22.78 H new ATOM 0 HB2 ASP B 72 17.724 -4.045 -7.883 1.00 24.61 H new ATOM 0 HB3 ASP B 72 18.212 -2.529 -8.615 1.00 24.61 H new ATOM 870 N THR B 73 20.606 -2.449 -10.033 1.00 21.03 N ATOM 871 CA THR B 73 21.312 -1.497 -10.881 1.00 20.49 C ATOM 872 C THR B 73 22.100 -2.221 -11.966 1.00 20.68 C ATOM 873 O THR B 73 21.958 -1.926 -13.154 1.00 22.15 O ATOM 874 CB THR B 73 22.255 -0.633 -10.043 1.00 17.86 C ATOM 875 OG1 THR B 73 21.563 -0.041 -8.958 1.00 17.57 O ATOM 876 CG2 THR B 73 22.908 0.480 -10.833 1.00 17.01 C ATOM 0 H THR B 73 20.831 -2.377 -9.041 1.00 21.03 H new ATOM 0 HA THR B 73 20.571 -0.855 -11.358 1.00 20.49 H new ATOM 0 HB THR B 73 23.032 -1.312 -9.692 1.00 17.86 H new ATOM 0 HG1 THR B 73 21.455 -0.700 -8.241 1.00 17.57 H new ATOM 0 HG21 THR B 73 23.564 1.054 -10.179 1.00 17.01 H new ATOM 0 HG22 THR B 73 23.492 0.053 -11.648 1.00 17.01 H new ATOM 0 HG23 THR B 73 22.139 1.136 -11.242 1.00 17.01 H new ATOM 884 N LEU B 74 22.927 -3.174 -11.551 1.00 19.34 N ATOM 885 CA LEU B 74 23.734 -3.946 -12.487 1.00 19.41 C ATOM 886 C LEU B 74 22.850 -4.635 -13.519 1.00 20.94 C ATOM 887 O LEU B 74 23.184 -4.685 -14.703 1.00 21.19 O ATOM 888 CB LEU B 74 24.572 -4.984 -11.737 1.00 17.21 C ATOM 889 CG LEU B 74 25.621 -4.403 -10.787 1.00 14.73 C ATOM 890 CD1 LEU B 74 25.953 -5.397 -9.686 1.00 14.57 C ATOM 891 CD2 LEU B 74 26.876 -4.015 -11.554 1.00 12.66 C ATOM 0 H LEU B 74 23.056 -3.430 -10.572 1.00 19.34 H new ATOM 0 HA LEU B 74 24.403 -3.260 -13.006 1.00 19.41 H new ATOM 0 HB2 LEU B 74 23.902 -5.626 -11.165 1.00 17.21 H new ATOM 0 HB3 LEU B 74 25.076 -5.618 -12.466 1.00 17.21 H new ATOM 0 HG LEU B 74 25.209 -3.506 -10.325 1.00 14.73 H new ATOM 0 HD11 LEU B 74 26.701 -4.966 -9.020 1.00 14.57 H new ATOM 0 HD12 LEU B 74 25.051 -5.626 -9.119 1.00 14.57 H new ATOM 0 HD13 LEU B 74 26.346 -6.312 -10.129 1.00 14.57 H new ATOM 0 HD21 LEU B 74 27.612 -3.603 -10.863 1.00 12.66 H new ATOM 0 HD22 LEU B 74 27.291 -4.896 -12.043 1.00 12.66 H new ATOM 0 HD23 LEU B 74 26.626 -3.267 -12.306 1.00 12.66 H new ATOM 903 N LYS B 75 21.715 -5.159 -13.063 1.00 22.09 N ATOM 904 CA LYS B 75 20.778 -5.839 -13.949 1.00 23.86 C ATOM 905 C LYS B 75 20.485 -4.987 -15.177 1.00 25.77 C ATOM 906 O LYS B 75 20.479 -5.479 -16.305 1.00 27.05 O ATOM 907 CB LYS B 75 19.477 -6.152 -13.207 1.00 23.64 C ATOM 908 CG LYS B 75 18.576 -7.130 -13.945 1.00 24.62 C ATOM 909 CD LYS B 75 17.929 -8.119 -12.992 1.00 23.89 C ATOM 910 CE LYS B 75 16.880 -7.448 -12.120 1.00 24.11 C ATOM 911 NZ LYS B 75 15.658 -7.099 -12.894 1.00 23.90 N ATOM 0 H LYS B 75 21.423 -5.125 -12.086 1.00 22.09 H new ATOM 0 HA LYS B 75 21.233 -6.774 -14.275 1.00 23.86 H new ATOM 0 HB2 LYS B 75 19.717 -6.562 -12.226 1.00 23.64 H new ATOM 0 HB3 LYS B 75 18.931 -5.223 -13.040 1.00 23.64 H new ATOM 0 HG2 LYS B 75 17.802 -6.580 -14.481 1.00 24.62 H new ATOM 0 HG3 LYS B 75 19.158 -7.670 -14.692 1.00 24.62 H new ATOM 0 HD2 LYS B 75 17.468 -8.926 -13.561 1.00 23.89 H new ATOM 0 HD3 LYS B 75 18.694 -8.571 -12.360 1.00 23.89 H new ATOM 0 HE2 LYS B 75 16.612 -8.112 -11.298 1.00 24.11 H new ATOM 0 HE3 LYS B 75 17.300 -6.545 -11.677 1.00 24.11 H new ATOM 0 HZ1 LYS B 75 14.906 -6.801 -12.240 1.00 23.90 H new ATOM 0 HZ2 LYS B 75 15.873 -6.322 -13.551 1.00 23.90 H new ATOM 0 HZ3 LYS B 75 15.339 -7.929 -13.433 1.00 23.90 H new ATOM 925 N ASP B 76 20.252 -3.701 -14.946 1.00 26.09 N ATOM 926 CA ASP B 76 19.968 -2.769 -16.028 1.00 27.99 C ATOM 927 C ASP B 76 21.239 -2.469 -16.815 1.00 28.68 C ATOM 928 O ASP B 76 21.209 -2.343 -18.039 1.00 30.53 O ATOM 929 CB ASP B 76 19.375 -1.472 -15.474 1.00 27.85 C ATOM 930 CG ASP B 76 18.288 -0.907 -16.366 1.00 29.46 C ATOM 931 OD1 ASP B 76 17.195 -1.508 -16.423 1.00 31.45 O ATOM 932 OD2 ASP B 76 18.530 0.137 -17.007 1.00 28.87 O ATOM 0 H ASP B 76 20.254 -3.280 -14.017 1.00 26.09 H new ATOM 0 HA ASP B 76 19.240 -3.228 -16.697 1.00 27.99 H new ATOM 0 HB2 ASP B 76 18.966 -1.658 -14.481 1.00 27.85 H new ATOM 0 HB3 ASP B 76 20.168 -0.733 -15.359 1.00 27.85 H new ATOM 937 N LEU B 77 22.356 -2.365 -16.101 1.00 27.22 N ATOM 938 CA LEU B 77 23.642 -2.088 -16.726 1.00 27.77 C ATOM 939 C LEU B 77 23.933 -3.106 -17.824 1.00 29.28 C ATOM 940 O LEU B 77 24.252 -2.740 -18.955 1.00 30.96 O ATOM 941 CB LEU B 77 24.755 -2.118 -15.677 1.00 25.81 C ATOM 942 CG LEU B 77 25.023 -0.785 -14.978 1.00 24.25 C ATOM 943 CD1 LEU B 77 25.823 -1.001 -13.701 1.00 21.62 C ATOM 944 CD2 LEU B 77 25.754 0.167 -15.913 1.00 25.05 C ATOM 0 H LEU B 77 22.395 -2.469 -15.087 1.00 27.22 H new ATOM 0 HA LEU B 77 23.602 -1.095 -17.173 1.00 27.77 H new ATOM 0 HB2 LEU B 77 24.501 -2.862 -14.922 1.00 25.81 H new ATOM 0 HB3 LEU B 77 25.676 -2.451 -16.156 1.00 25.81 H new ATOM 0 HG LEU B 77 24.066 -0.338 -14.710 1.00 24.25 H new ATOM 0 HD11 LEU B 77 26.004 -0.041 -13.218 1.00 21.62 H new ATOM 0 HD12 LEU B 77 25.263 -1.647 -13.025 1.00 21.62 H new ATOM 0 HD13 LEU B 77 26.777 -1.470 -13.944 1.00 21.62 H new ATOM 0 HD21 LEU B 77 25.937 1.111 -15.400 1.00 25.05 H new ATOM 0 HD22 LEU B 77 26.705 -0.275 -16.211 1.00 25.05 H new ATOM 0 HD23 LEU B 77 25.144 0.347 -16.798 1.00 25.05 H new ATOM 956 N TYR B 78 23.818 -4.385 -17.481 1.00 28.85 N ATOM 957 CA TYR B 78 24.064 -5.458 -18.433 1.00 30.38 C ATOM 958 C TYR B 78 22.917 -5.570 -19.432 1.00 32.35 C ATOM 959 O TYR B 78 23.135 -5.830 -20.616 1.00 32.42 O ATOM 960 CB TYR B 78 24.243 -6.784 -17.695 1.00 31.42 C ATOM 961 CG TYR B 78 25.599 -6.937 -17.043 1.00 30.49 C ATOM 962 CD1 TYR B 78 26.744 -7.203 -17.814 1.00 30.91 C ATOM 963 CD2 TYR B 78 25.747 -6.822 -15.651 1.00 29.43 C ATOM 964 CE1 TYR B 78 27.998 -7.347 -17.215 1.00 30.25 C ATOM 965 CE2 TYR B 78 26.996 -6.964 -15.044 1.00 28.74 C ATOM 966 CZ TYR B 78 28.119 -7.227 -15.830 1.00 29.12 C ATOM 967 OH TYR B 78 29.352 -7.369 -15.236 1.00 28.65 O ATOM 0 H TYR B 78 23.555 -4.702 -16.548 1.00 28.85 H new ATOM 0 HA TYR B 78 24.977 -5.226 -18.981 1.00 30.38 H new ATOM 0 HB2 TYR B 78 23.470 -6.872 -16.931 1.00 31.42 H new ATOM 0 HB3 TYR B 78 24.092 -7.604 -18.397 1.00 31.42 H new ATOM 0 HD1 TYR B 78 26.653 -7.298 -18.886 1.00 30.91 H new ATOM 0 HD2 TYR B 78 24.880 -6.620 -15.040 1.00 29.43 H new ATOM 0 HE1 TYR B 78 28.869 -7.550 -17.821 1.00 30.25 H new ATOM 0 HE2 TYR B 78 27.093 -6.871 -13.972 1.00 28.74 H new ATOM 0 HH TYR B 78 29.263 -7.256 -14.267 1.00 28.65 H new ATOM 977 N LYS B 79 21.696 -5.371 -18.947 1.00 34.00 N ATOM 978 CA LYS B 79 20.515 -5.449 -19.798 1.00 36.09 C ATOM 979 C LYS B 79 20.579 -4.405 -20.909 1.00 36.64 C ATOM 980 O LYS B 79 20.096 -4.636 -22.018 1.00 36.77 O ATOM 981 CB LYS B 79 19.246 -5.251 -18.967 1.00 35.92 C ATOM 982 CG LYS B 79 17.976 -5.195 -19.799 1.00 38.03 C ATOM 983 CD LYS B 79 16.741 -5.457 -18.952 1.00 39.45 C ATOM 984 CE LYS B 79 16.542 -6.943 -18.703 1.00 38.78 C ATOM 985 NZ LYS B 79 15.579 -7.544 -19.665 1.00 40.83 N ATOM 0 H LYS B 79 21.499 -5.155 -17.970 1.00 34.00 H new ATOM 0 HA LYS B 79 20.489 -6.439 -20.253 1.00 36.09 H new ATOM 0 HB2 LYS B 79 19.163 -6.065 -18.247 1.00 35.92 H new ATOM 0 HB3 LYS B 79 19.337 -4.327 -18.395 1.00 35.92 H new ATOM 0 HG2 LYS B 79 17.893 -4.216 -20.272 1.00 38.03 H new ATOM 0 HG3 LYS B 79 18.032 -5.932 -20.600 1.00 38.03 H new ATOM 0 HD2 LYS B 79 16.835 -4.937 -17.999 1.00 39.45 H new ATOM 0 HD3 LYS B 79 15.862 -5.050 -19.452 1.00 39.45 H new ATOM 0 HE2 LYS B 79 17.501 -7.456 -18.781 1.00 38.78 H new ATOM 0 HE3 LYS B 79 16.181 -7.095 -17.686 1.00 38.78 H new ATOM 0 HZ1 LYS B 79 15.472 -8.558 -19.461 1.00 40.83 H new ATOM 0 HZ2 LYS B 79 14.657 -7.073 -19.573 1.00 40.83 H new ATOM 0 HZ3 LYS B 79 15.935 -7.422 -20.635 1.00 40.83 H new ATOM 1103 N ALA C 55 26.845 13.073 18.803 1.00 35.52 N ATOM 1104 CA ALA C 55 26.254 11.841 18.301 1.00 34.32 C ATOM 1105 C ALA C 55 25.583 12.070 16.951 1.00 31.78 C ATOM 1106 O ALA C 55 25.684 11.239 16.048 1.00 30.72 O ATOM 1107 CB ALA C 55 25.255 11.286 19.305 1.00 34.91 C ATOM 0 HA ALA C 55 27.052 11.111 18.163 1.00 34.32 H new ATOM 0 HB1 ALA C 55 24.821 10.365 18.916 1.00 34.91 H new ATOM 0 HB2 ALA C 55 25.763 11.078 20.247 1.00 34.91 H new ATOM 0 HB3 ALA C 55 24.464 12.017 19.473 1.00 34.91 H new ATOM 1113 N GLU C 56 24.901 13.205 16.816 1.00 30.83 N ATOM 1114 CA GLU C 56 24.222 13.540 15.570 1.00 28.46 C ATOM 1115 C GLU C 56 25.237 13.802 14.464 1.00 28.15 C ATOM 1116 O GLU C 56 25.170 13.204 13.389 1.00 28.00 O ATOM 1117 CB GLU C 56 23.327 14.766 15.760 1.00 27.76 C ATOM 1118 CG GLU C 56 22.078 14.747 14.892 1.00 26.55 C ATOM 1119 CD GLU C 56 20.956 15.592 15.463 1.00 25.28 C ATOM 1120 OE1 GLU C 56 20.982 16.824 15.266 1.00 24.77 O ATOM 1121 OE2 GLU C 56 20.052 15.020 16.108 1.00 24.83 O ATOM 0 H GLU C 56 24.805 13.905 17.552 1.00 30.83 H new ATOM 0 HA GLU C 56 23.599 12.693 15.282 1.00 28.46 H new ATOM 0 HB2 GLU C 56 23.031 14.831 16.807 1.00 27.76 H new ATOM 0 HB3 GLU C 56 23.902 15.664 15.535 1.00 27.76 H new ATOM 0 HG2 GLU C 56 22.328 15.108 13.895 1.00 26.55 H new ATOM 0 HG3 GLU C 56 21.733 13.719 14.781 1.00 26.55 H new ATOM 1128 N ARG C 57 26.181 14.691 14.742 1.00 28.26 N ATOM 1129 CA ARG C 57 27.221 15.029 13.778 1.00 28.29 C ATOM 1130 C ARG C 57 28.029 13.790 13.417 1.00 26.58 C ATOM 1131 O ARG C 57 28.277 13.512 12.244 1.00 25.97 O ATOM 1132 CB ARG C 57 28.145 16.106 14.351 1.00 30.15 C ATOM 1133 CG ARG C 57 28.888 16.901 13.290 1.00 31.25 C ATOM 1134 CD ARG C 57 28.702 18.397 13.486 1.00 32.77 C ATOM 1135 NE ARG C 57 29.481 18.904 14.612 1.00 35.32 N ATOM 1136 CZ ARG C 57 29.804 20.183 14.767 1.00 36.71 C ATOM 1137 NH1 ARG C 57 29.417 21.080 13.871 1.00 35.83 N ATOM 1138 NH2 ARG C 57 30.514 20.567 15.818 1.00 39.08 N ATOM 0 H ARG C 57 26.249 15.192 15.628 1.00 28.26 H new ATOM 0 HA ARG C 57 26.746 15.415 12.876 1.00 28.29 H new ATOM 0 HB2 ARG C 57 27.556 16.792 14.960 1.00 30.15 H new ATOM 0 HB3 ARG C 57 28.871 15.635 15.014 1.00 30.15 H new ATOM 0 HG2 ARG C 57 29.950 16.657 13.327 1.00 31.25 H new ATOM 0 HG3 ARG C 57 28.530 16.615 12.301 1.00 31.25 H new ATOM 0 HD2 ARG C 57 28.997 18.921 12.577 1.00 32.77 H new ATOM 0 HD3 ARG C 57 27.646 18.612 13.650 1.00 32.77 H new ATOM 0 HE ARG C 57 29.795 18.239 15.319 1.00 35.32 H new ATOM 0 HH11 ARG C 57 28.870 20.788 13.061 1.00 35.83 H new ATOM 0 HH12 ARG C 57 29.666 22.062 13.992 1.00 35.83 H new ATOM 0 HH21 ARG C 57 30.814 19.880 16.510 1.00 39.08 H new ATOM 0 HH22 ARG C 57 30.761 21.550 15.935 1.00 39.08 H new ATOM 1152 N LEU C 58 28.430 13.046 14.441 1.00 26.05 N ATOM 1153 CA LEU C 58 29.205 11.828 14.249 1.00 24.57 C ATOM 1154 C LEU C 58 28.499 10.885 13.281 1.00 22.55 C ATOM 1155 O LEU C 58 29.101 10.395 12.326 1.00 22.84 O ATOM 1156 CB LEU C 58 29.431 11.126 15.590 1.00 24.27 C ATOM 1157 CG LEU C 58 30.555 11.709 16.447 1.00 26.34 C ATOM 1158 CD1 LEU C 58 30.824 10.820 17.651 1.00 26.16 C ATOM 1159 CD2 LEU C 58 31.817 11.886 15.619 1.00 26.89 C ATOM 0 H LEU C 58 28.230 13.267 15.416 1.00 26.05 H new ATOM 0 HA LEU C 58 30.170 12.102 13.824 1.00 24.57 H new ATOM 0 HB2 LEU C 58 28.504 11.162 16.162 1.00 24.27 H new ATOM 0 HB3 LEU C 58 29.648 10.075 15.400 1.00 24.27 H new ATOM 0 HG LEU C 58 30.241 12.688 16.808 1.00 26.34 H new ATOM 0 HD11 LEU C 58 31.627 11.251 18.249 1.00 26.16 H new ATOM 0 HD12 LEU C 58 29.921 10.744 18.256 1.00 26.16 H new ATOM 0 HD13 LEU C 58 31.117 9.827 17.312 1.00 26.16 H new ATOM 0 HD21 LEU C 58 32.607 12.302 16.244 1.00 26.89 H new ATOM 0 HD22 LEU C 58 32.134 10.919 15.228 1.00 26.89 H new ATOM 0 HD23 LEU C 58 31.616 12.564 14.790 1.00 26.89 H new ATOM 1171 N ALA C 59 27.217 10.638 13.534 1.00 20.54 N ATOM 1172 CA ALA C 59 26.428 9.757 12.683 1.00 18.59 C ATOM 1173 C ALA C 59 26.542 10.169 11.221 1.00 19.04 C ATOM 1174 O ALA C 59 26.666 9.324 10.333 1.00 19.63 O ATOM 1175 CB ALA C 59 24.970 9.763 13.121 1.00 17.48 C ATOM 0 H ALA C 59 26.704 11.036 14.321 1.00 20.54 H new ATOM 0 HA ALA C 59 26.821 8.745 12.784 1.00 18.59 H new ATOM 0 HB1 ALA C 59 24.394 9.100 12.476 1.00 17.48 H new ATOM 0 HB2 ALA C 59 24.899 9.418 14.152 1.00 17.48 H new ATOM 0 HB3 ALA C 59 24.573 10.775 13.049 1.00 17.48 H new ATOM 1181 N ASP C 60 26.504 11.475 10.977 1.00 18.83 N ATOM 1182 CA ASP C 60 26.607 12.003 9.624 1.00 19.19 C ATOM 1183 C ASP C 60 28.039 11.895 9.109 1.00 19.86 C ATOM 1184 O ASP C 60 28.267 11.618 7.932 1.00 19.75 O ATOM 1185 CB ASP C 60 26.147 13.462 9.586 1.00 18.92 C ATOM 1186 CG ASP C 60 25.781 13.916 8.187 1.00 18.25 C ATOM 1187 OD1 ASP C 60 26.686 13.983 7.329 1.00 17.80 O ATOM 1188 OD2 ASP C 60 24.590 14.205 7.949 1.00 18.44 O ATOM 0 H ASP C 60 26.402 12.187 11.701 1.00 18.83 H new ATOM 0 HA ASP C 60 25.960 11.410 8.978 1.00 19.19 H new ATOM 0 HB2 ASP C 60 25.286 13.586 10.242 1.00 18.92 H new ATOM 0 HB3 ASP C 60 26.940 14.100 9.977 1.00 18.92 H new ATOM 1193 N GLU C 61 29.000 12.112 10.002 1.00 20.59 N ATOM 1194 CA GLU C 61 30.411 12.036 9.642 1.00 21.27 C ATOM 1195 C GLU C 61 30.801 10.608 9.283 1.00 21.47 C ATOM 1196 O GLU C 61 31.496 10.371 8.294 1.00 22.16 O ATOM 1197 CB GLU C 61 31.281 12.542 10.794 1.00 21.30 C ATOM 1198 CG GLU C 61 32.183 13.705 10.411 1.00 21.28 C ATOM 1199 CD GLU C 61 33.064 13.392 9.218 1.00 19.86 C ATOM 1200 OE1 GLU C 61 34.141 12.792 9.415 1.00 19.85 O ATOM 1201 OE2 GLU C 61 32.676 13.747 8.085 1.00 18.88 O ATOM 0 H GLU C 61 28.827 12.342 10.981 1.00 20.59 H new ATOM 0 HA GLU C 61 30.574 12.669 8.770 1.00 21.27 H new ATOM 0 HB2 GLU C 61 30.636 12.849 11.617 1.00 21.30 H new ATOM 0 HB3 GLU C 61 31.897 11.721 11.161 1.00 21.30 H new ATOM 0 HG2 GLU C 61 31.569 14.577 10.186 1.00 21.28 H new ATOM 0 HG3 GLU C 61 32.811 13.969 11.262 1.00 21.28 H new ATOM 1208 N GLN C 62 30.345 9.659 10.090 1.00 20.85 N ATOM 1209 CA GLN C 62 30.640 8.252 9.860 1.00 20.96 C ATOM 1210 C GLN C 62 29.923 7.753 8.610 1.00 19.16 C ATOM 1211 O GLN C 62 30.465 6.953 7.846 1.00 19.78 O ATOM 1212 CB GLN C 62 30.223 7.414 11.071 1.00 20.79 C ATOM 1213 CG GLN C 62 30.585 8.050 12.404 1.00 23.45 C ATOM 1214 CD GLN C 62 31.704 7.314 13.116 1.00 24.22 C ATOM 1215 OE1 GLN C 62 31.824 6.094 13.015 1.00 24.37 O ATOM 1216 NE2 GLN C 62 32.531 8.057 13.844 1.00 24.76 N ATOM 0 H GLN C 62 29.768 9.839 10.912 1.00 20.85 H new ATOM 0 HA GLN C 62 31.715 8.148 9.713 1.00 20.96 H new ATOM 0 HB2 GLN C 62 29.146 7.251 11.036 1.00 20.79 H new ATOM 0 HB3 GLN C 62 30.696 6.434 11.005 1.00 20.79 H new ATOM 0 HG2 GLN C 62 30.883 9.085 12.239 1.00 23.45 H new ATOM 0 HG3 GLN C 62 29.703 8.070 13.044 1.00 23.45 H new ATOM 0 HE21 GLN C 62 32.394 9.066 13.900 1.00 24.76 H new ATOM 0 HE22 GLN C 62 33.302 7.618 14.347 1.00 24.76 H new ATOM 1225 N SER C 63 28.703 8.238 8.406 1.00 17.10 N ATOM 1226 CA SER C 63 27.908 7.848 7.247 1.00 15.50 C ATOM 1227 C SER C 63 28.523 8.397 5.965 1.00 15.44 C ATOM 1228 O SER C 63 28.486 7.749 4.919 1.00 13.67 O ATOM 1229 CB SER C 63 26.471 8.349 7.393 1.00 16.03 C ATOM 1230 OG SER C 63 26.439 9.740 7.663 1.00 17.95 O ATOM 0 H SER C 63 28.243 8.902 9.028 1.00 17.10 H new ATOM 0 HA SER C 63 27.898 6.759 7.191 1.00 15.50 H new ATOM 0 HB2 SER C 63 25.915 8.140 6.479 1.00 16.03 H new ATOM 0 HB3 SER C 63 25.974 7.808 8.198 1.00 16.03 H new ATOM 0 HG SER C 63 27.344 10.108 7.591 1.00 17.95 H new ATOM 1236 N GLU C 64 29.091 9.597 6.052 1.00 17.64 N ATOM 1237 CA GLU C 64 29.716 10.230 4.899 1.00 18.20 C ATOM 1238 C GLU C 64 30.884 9.392 4.394 1.00 17.07 C ATOM 1239 O GLU C 64 31.046 9.195 3.189 1.00 16.95 O ATOM 1240 CB GLU C 64 30.200 11.636 5.259 1.00 20.98 C ATOM 1241 CG GLU C 64 30.071 12.632 4.119 1.00 22.11 C ATOM 1242 CD GLU C 64 31.391 13.291 3.769 1.00 24.66 C ATOM 1243 OE1 GLU C 64 32.371 12.558 3.515 1.00 24.87 O ATOM 1244 OE2 GLU C 64 31.445 14.538 3.748 1.00 26.64 O ATOM 0 H GLU C 64 29.130 10.148 6.909 1.00 17.64 H new ATOM 0 HA GLU C 64 28.971 10.305 4.107 1.00 18.20 H new ATOM 0 HB2 GLU C 64 29.631 12.000 6.115 1.00 20.98 H new ATOM 0 HB3 GLU C 64 31.244 11.584 5.569 1.00 20.98 H new ATOM 0 HG2 GLU C 64 29.679 12.123 3.239 1.00 22.11 H new ATOM 0 HG3 GLU C 64 29.347 13.400 4.392 1.00 22.11 H new ATOM 1251 N LEU C 65 31.693 8.897 5.324 1.00 16.30 N ATOM 1252 CA LEU C 65 32.845 8.076 4.975 1.00 15.27 C ATOM 1253 C LEU C 65 32.411 6.848 4.182 1.00 14.08 C ATOM 1254 O LEU C 65 33.047 6.476 3.197 1.00 14.24 O ATOM 1255 CB LEU C 65 33.594 7.646 6.239 1.00 15.53 C ATOM 1256 CG LEU C 65 34.199 8.790 7.053 1.00 16.18 C ATOM 1257 CD1 LEU C 65 34.251 8.428 8.528 1.00 14.88 C ATOM 1258 CD2 LEU C 65 35.589 9.133 6.537 1.00 18.10 C ATOM 0 H LEU C 65 31.572 9.050 6.325 1.00 16.30 H new ATOM 0 HA LEU C 65 33.513 8.672 4.353 1.00 15.27 H new ATOM 0 HB2 LEU C 65 32.908 7.089 6.878 1.00 15.53 H new ATOM 0 HB3 LEU C 65 34.393 6.961 5.954 1.00 15.53 H new ATOM 0 HG LEU C 65 33.563 9.668 6.939 1.00 16.18 H new ATOM 0 HD11 LEU C 65 34.685 9.255 9.090 1.00 14.88 H new ATOM 0 HD12 LEU C 65 33.242 8.232 8.890 1.00 14.88 H new ATOM 0 HD13 LEU C 65 34.864 7.537 8.663 1.00 14.88 H new ATOM 0 HD21 LEU C 65 36.005 9.949 7.127 1.00 18.10 H new ATOM 0 HD22 LEU C 65 36.234 8.259 6.621 1.00 18.10 H new ATOM 0 HD23 LEU C 65 35.524 9.437 5.492 1.00 18.10 H new ATOM 1270 N VAL C 66 31.319 6.226 4.617 1.00 13.21 N ATOM 1271 CA VAL C 66 30.797 5.045 3.944 1.00 12.21 C ATOM 1272 C VAL C 66 30.265 5.397 2.561 1.00 10.32 C ATOM 1273 O VAL C 66 30.570 4.722 1.577 1.00 10.01 O ATOM 1274 CB VAL C 66 29.672 4.381 4.762 1.00 12.90 C ATOM 1275 CG1 VAL C 66 29.183 3.118 4.071 1.00 12.05 C ATOM 1276 CG2 VAL C 66 30.149 4.074 6.174 1.00 14.98 C ATOM 0 H VAL C 66 30.780 6.521 5.431 1.00 13.21 H new ATOM 0 HA VAL C 66 31.625 4.343 3.847 1.00 12.21 H new ATOM 0 HB VAL C 66 28.836 5.078 4.828 1.00 12.90 H new ATOM 0 HG11 VAL C 66 28.389 2.663 4.663 1.00 12.05 H new ATOM 0 HG12 VAL C 66 28.799 3.369 3.082 1.00 12.05 H new ATOM 0 HG13 VAL C 66 30.010 2.414 3.971 1.00 12.05 H new ATOM 0 HG21 VAL C 66 29.342 3.606 6.737 1.00 14.98 H new ATOM 0 HG22 VAL C 66 31.002 3.397 6.131 1.00 14.98 H new ATOM 0 HG23 VAL C 66 30.446 5.000 6.667 1.00 14.98 H new ATOM 1286 N LYS C 67 29.472 6.461 2.489 1.00 9.57 N ATOM 1287 CA LYS C 67 28.907 6.905 1.221 1.00 7.82 C ATOM 1288 C LYS C 67 30.016 7.173 0.212 1.00 7.49 C ATOM 1289 O LYS C 67 30.076 6.540 -0.842 1.00 7.15 O ATOM 1290 CB LYS C 67 28.064 8.166 1.423 1.00 8.79 C ATOM 1291 CG LYS C 67 27.496 8.733 0.133 1.00 9.49 C ATOM 1292 CD LYS C 67 26.727 10.021 0.381 1.00 10.19 C ATOM 1293 CE LYS C 67 26.579 10.837 -0.893 1.00 10.39 C ATOM 1294 NZ LYS C 67 26.320 12.275 -0.605 1.00 10.58 N ATOM 0 H LYS C 67 29.207 7.031 3.293 1.00 9.57 H new ATOM 0 HA LYS C 67 28.264 6.114 0.835 1.00 7.82 H new ATOM 0 HB2 LYS C 67 27.243 7.938 2.102 1.00 8.79 H new ATOM 0 HB3 LYS C 67 28.676 8.928 1.906 1.00 8.79 H new ATOM 0 HG2 LYS C 67 28.307 8.922 -0.571 1.00 9.49 H new ATOM 0 HG3 LYS C 67 26.837 7.998 -0.330 1.00 9.49 H new ATOM 0 HD2 LYS C 67 25.740 9.786 0.780 1.00 10.19 H new ATOM 0 HD3 LYS C 67 27.243 10.614 1.136 1.00 10.19 H new ATOM 0 HE2 LYS C 67 27.486 10.744 -1.491 1.00 10.39 H new ATOM 0 HE3 LYS C 67 25.761 10.433 -1.490 1.00 10.39 H new ATOM 0 HZ1 LYS C 67 26.225 12.797 -1.500 1.00 10.58 H new ATOM 0 HZ2 LYS C 67 25.441 12.366 -0.056 1.00 10.58 H new ATOM 0 HZ3 LYS C 67 27.112 12.668 -0.058 1.00 10.58 H new ATOM 1308 N LYS C 68 30.901 8.107 0.546 1.00 8.39 N ATOM 1309 CA LYS C 68 32.014 8.443 -0.331 1.00 9.05 C ATOM 1310 C LYS C 68 32.801 7.187 -0.685 1.00 9.32 C ATOM 1311 O LYS C 68 33.333 7.064 -1.788 1.00 11.20 O ATOM 1312 CB LYS C 68 32.933 9.465 0.341 1.00 11.22 C ATOM 1313 CG LYS C 68 33.907 10.130 -0.620 1.00 12.56 C ATOM 1314 CD LYS C 68 35.218 10.475 0.069 1.00 12.29 C ATOM 1315 CE LYS C 68 34.989 11.337 1.300 1.00 11.87 C ATOM 1316 NZ LYS C 68 35.960 12.464 1.378 1.00 12.56 N ATOM 0 H LYS C 68 30.868 8.642 1.414 1.00 8.39 H new ATOM 0 HA LYS C 68 31.615 8.881 -1.246 1.00 9.05 H new ATOM 0 HB2 LYS C 68 32.323 10.233 0.817 1.00 11.22 H new ATOM 0 HB3 LYS C 68 33.496 8.970 1.132 1.00 11.22 H new ATOM 0 HG2 LYS C 68 34.101 9.465 -1.462 1.00 12.56 H new ATOM 0 HG3 LYS C 68 33.458 11.036 -1.026 1.00 12.56 H new ATOM 0 HD2 LYS C 68 35.732 9.558 0.356 1.00 12.29 H new ATOM 0 HD3 LYS C 68 35.870 11.001 -0.629 1.00 12.29 H new ATOM 0 HE2 LYS C 68 33.974 11.733 1.282 1.00 11.87 H new ATOM 0 HE3 LYS C 68 35.075 10.721 2.195 1.00 11.87 H new ATOM 0 HZ1 LYS C 68 35.770 13.027 2.231 1.00 12.56 H new ATOM 0 HZ2 LYS C 68 36.928 12.086 1.421 1.00 12.56 H new ATOM 0 HZ3 LYS C 68 35.861 13.067 0.536 1.00 12.56 H new ATOM 1330 N MET C 69 32.860 6.254 0.261 1.00 7.69 N ATOM 1331 CA MET C 69 33.570 5.000 0.054 1.00 7.91 C ATOM 1332 C MET C 69 32.869 4.167 -1.017 1.00 6.56 C ATOM 1333 O MET C 69 33.513 3.611 -1.906 1.00 6.25 O ATOM 1334 CB MET C 69 33.657 4.221 1.371 1.00 8.24 C ATOM 1335 CG MET C 69 34.109 2.779 1.207 1.00 7.43 C ATOM 1336 SD MET C 69 32.743 1.669 0.823 1.00 7.19 S ATOM 1337 CE MET C 69 32.267 1.134 2.465 1.00 7.37 C ATOM 0 H MET C 69 32.424 6.345 1.178 1.00 7.69 H new ATOM 0 HA MET C 69 34.582 5.219 -0.287 1.00 7.91 H new ATOM 0 HB2 MET C 69 34.348 4.734 2.040 1.00 8.24 H new ATOM 0 HB3 MET C 69 32.680 4.232 1.853 1.00 8.24 H new ATOM 0 HG2 MET C 69 34.853 2.723 0.413 1.00 7.43 H new ATOM 0 HG3 MET C 69 34.596 2.447 2.124 1.00 7.43 H new ATOM 0 HE1 MET C 69 31.327 0.585 2.411 1.00 7.37 H new ATOM 0 HE2 MET C 69 33.042 0.486 2.876 1.00 7.37 H new ATOM 0 HE3 MET C 69 32.143 2.004 3.109 1.00 7.37 H new ATOM 1347 N VAL C 70 31.544 4.095 -0.927 1.00 6.51 N ATOM 1348 CA VAL C 70 30.754 3.342 -1.890 1.00 7.04 C ATOM 1349 C VAL C 70 30.790 4.020 -3.256 1.00 7.37 C ATOM 1350 O VAL C 70 30.814 3.354 -4.290 1.00 7.17 O ATOM 1351 CB VAL C 70 29.290 3.190 -1.418 1.00 7.64 C ATOM 1352 CG1 VAL C 70 28.414 2.580 -2.505 1.00 9.26 C ATOM 1353 CG2 VAL C 70 29.233 2.347 -0.154 1.00 5.71 C ATOM 0 H VAL C 70 30.997 4.550 -0.196 1.00 6.51 H new ATOM 0 HA VAL C 70 31.193 2.348 -1.972 1.00 7.04 H new ATOM 0 HB VAL C 70 28.901 4.185 -1.200 1.00 7.64 H new ATOM 0 HG11 VAL C 70 27.391 2.488 -2.139 1.00 9.26 H new ATOM 0 HG12 VAL C 70 28.428 3.222 -3.386 1.00 9.26 H new ATOM 0 HG13 VAL C 70 28.795 1.594 -2.769 1.00 9.26 H new ATOM 0 HG21 VAL C 70 28.197 2.246 0.170 1.00 5.71 H new ATOM 0 HG22 VAL C 70 29.648 1.359 -0.356 1.00 5.71 H new ATOM 0 HG23 VAL C 70 29.813 2.830 0.632 1.00 5.71 H new ATOM 1363 N PHE C 71 30.800 5.348 -3.248 1.00 8.25 N ATOM 1364 CA PHE C 71 30.842 6.112 -4.486 1.00 8.80 C ATOM 1365 C PHE C 71 32.024 5.667 -5.342 1.00 9.27 C ATOM 1366 O PHE C 71 31.847 5.224 -6.475 1.00 9.27 O ATOM 1367 CB PHE C 71 30.939 7.611 -4.185 1.00 9.38 C ATOM 1368 CG PHE C 71 31.229 8.452 -5.396 1.00 10.23 C ATOM 1369 CD1 PHE C 71 30.195 8.845 -6.257 1.00 12.29 C ATOM 1370 CD2 PHE C 71 32.540 8.851 -5.687 1.00 9.25 C ATOM 1371 CE1 PHE C 71 30.464 9.623 -7.387 1.00 13.40 C ATOM 1372 CE2 PHE C 71 32.817 9.628 -6.815 1.00 10.55 C ATOM 1373 CZ PHE C 71 31.777 10.014 -7.666 1.00 12.61 C ATOM 0 H PHE C 71 30.780 5.915 -2.400 1.00 8.25 H new ATOM 0 HA PHE C 71 29.921 5.928 -5.039 1.00 8.80 H new ATOM 0 HB2 PHE C 71 30.002 7.944 -3.738 1.00 9.38 H new ATOM 0 HB3 PHE C 71 31.722 7.774 -3.444 1.00 9.38 H new ATOM 0 HD1 PHE C 71 29.180 8.544 -6.045 1.00 12.29 H new ATOM 0 HD2 PHE C 71 33.346 8.555 -5.032 1.00 9.25 H new ATOM 0 HE1 PHE C 71 29.659 9.921 -8.043 1.00 13.40 H new ATOM 0 HE2 PHE C 71 33.832 9.930 -7.029 1.00 10.55 H new ATOM 0 HZ PHE C 71 31.988 10.614 -8.539 1.00 12.61 H new ATOM 1383 N ASP C 72 33.227 5.784 -4.789 1.00 9.73 N ATOM 1384 CA ASP C 72 34.436 5.389 -5.500 1.00 10.26 C ATOM 1385 C ASP C 72 34.316 3.957 -6.012 1.00 10.24 C ATOM 1386 O ASP C 72 34.573 3.684 -7.185 1.00 11.41 O ATOM 1387 CB ASP C 72 35.657 5.516 -4.586 1.00 10.53 C ATOM 1388 CG ASP C 72 36.207 6.928 -4.550 1.00 10.86 C ATOM 1389 OD1 ASP C 72 36.575 7.450 -5.623 1.00 12.90 O ATOM 1390 OD2 ASP C 72 36.272 7.512 -3.448 1.00 9.11 O ATOM 0 H ASP C 72 33.390 6.149 -3.851 1.00 9.73 H new ATOM 0 HA ASP C 72 34.562 6.055 -6.354 1.00 10.26 H new ATOM 0 HB2 ASP C 72 35.385 5.209 -3.576 1.00 10.53 H new ATOM 0 HB3 ASP C 72 36.436 4.834 -4.928 1.00 10.53 H new ATOM 1395 N THR C 73 33.916 3.047 -5.129 1.00 9.23 N ATOM 1396 CA THR C 73 33.757 1.647 -5.502 1.00 9.09 C ATOM 1397 C THR C 73 32.722 1.508 -6.613 1.00 10.34 C ATOM 1398 O THR C 73 33.058 1.180 -7.751 1.00 11.68 O ATOM 1399 CB THR C 73 33.337 0.814 -4.283 1.00 6.96 C ATOM 1400 OG1 THR C 73 34.414 0.685 -3.373 1.00 6.07 O ATOM 1401 CG2 THR C 73 32.861 -0.587 -4.632 1.00 5.61 C ATOM 0 H THR C 73 33.697 3.253 -4.154 1.00 9.23 H new ATOM 0 HA THR C 73 34.715 1.276 -5.867 1.00 9.09 H new ATOM 0 HB THR C 73 32.502 1.358 -3.842 1.00 6.96 H new ATOM 0 HG1 THR C 73 34.421 1.452 -2.763 1.00 6.07 H new ATOM 0 HG21 THR C 73 32.582 -1.114 -3.720 1.00 5.61 H new ATOM 0 HG22 THR C 73 31.997 -0.523 -5.293 1.00 5.61 H new ATOM 0 HG23 THR C 73 33.663 -1.129 -5.133 1.00 5.61 H new ATOM 1409 N LEU C 74 31.463 1.757 -6.272 1.00 10.22 N ATOM 1410 CA LEU C 74 30.378 1.655 -7.240 1.00 11.84 C ATOM 1411 C LEU C 74 30.697 2.442 -8.507 1.00 12.10 C ATOM 1412 O LEU C 74 30.358 2.018 -9.611 1.00 12.78 O ATOM 1413 CB LEU C 74 29.072 2.150 -6.621 1.00 12.37 C ATOM 1414 CG LEU C 74 28.486 1.233 -5.544 1.00 11.17 C ATOM 1415 CD1 LEU C 74 27.051 1.622 -5.242 1.00 13.51 C ATOM 1416 CD2 LEU C 74 28.566 -0.223 -5.979 1.00 9.59 C ATOM 0 H LEU C 74 31.169 2.030 -5.334 1.00 10.22 H new ATOM 0 HA LEU C 74 30.264 0.606 -7.515 1.00 11.84 H new ATOM 0 HB2 LEU C 74 29.242 3.135 -6.187 1.00 12.37 H new ATOM 0 HB3 LEU C 74 28.334 2.274 -7.414 1.00 12.37 H new ATOM 0 HG LEU C 74 29.074 1.350 -4.634 1.00 11.17 H new ATOM 0 HD11 LEU C 74 26.649 0.961 -4.475 1.00 13.51 H new ATOM 0 HD12 LEU C 74 27.020 2.652 -4.886 1.00 13.51 H new ATOM 0 HD13 LEU C 74 26.452 1.533 -6.148 1.00 13.51 H new ATOM 0 HD21 LEU C 74 28.145 -0.859 -5.200 1.00 9.59 H new ATOM 0 HD22 LEU C 74 28.003 -0.358 -6.902 1.00 9.59 H new ATOM 0 HD23 LEU C 74 29.608 -0.496 -6.146 1.00 9.59 H new ATOM 1428 N LYS C 75 31.358 3.580 -8.344 1.00 11.62 N ATOM 1429 CA LYS C 75 31.728 4.412 -9.482 1.00 11.86 C ATOM 1430 C LYS C 75 32.534 3.601 -10.487 1.00 12.64 C ATOM 1431 O LYS C 75 32.063 3.298 -11.583 1.00 13.75 O ATOM 1432 CB LYS C 75 32.546 5.619 -9.020 1.00 9.91 C ATOM 1433 CG LYS C 75 33.099 6.454 -10.163 1.00 10.43 C ATOM 1434 CD LYS C 75 33.038 7.940 -9.850 1.00 9.67 C ATOM 1435 CE LYS C 75 34.375 8.457 -9.344 1.00 8.03 C ATOM 1436 NZ LYS C 75 35.385 8.544 -10.435 1.00 8.07 N ATOM 0 H LYS C 75 31.648 3.948 -7.438 1.00 11.62 H new ATOM 0 HA LYS C 75 30.814 4.767 -9.959 1.00 11.86 H new ATOM 0 HB2 LYS C 75 31.921 6.251 -8.389 1.00 9.91 H new ATOM 0 HB3 LYS C 75 33.374 5.271 -8.402 1.00 9.91 H new ATOM 0 HG2 LYS C 75 34.131 6.165 -10.359 1.00 10.43 H new ATOM 0 HG3 LYS C 75 32.532 6.249 -11.071 1.00 10.43 H new ATOM 0 HD2 LYS C 75 32.749 8.490 -10.746 1.00 9.67 H new ATOM 0 HD3 LYS C 75 32.268 8.124 -9.101 1.00 9.67 H new ATOM 0 HE2 LYS C 75 34.238 9.441 -8.897 1.00 8.03 H new ATOM 0 HE3 LYS C 75 34.745 7.799 -8.558 1.00 8.03 H new ATOM 0 HZ1 LYS C 75 36.179 9.141 -10.126 1.00 8.07 H new ATOM 0 HZ2 LYS C 75 35.735 7.591 -10.660 1.00 8.07 H new ATOM 0 HZ3 LYS C 75 34.947 8.961 -11.281 1.00 8.07 H new ATOM 1450 N ASP C 76 33.753 3.249 -10.097 1.00 12.47 N ATOM 1451 CA ASP C 76 34.636 2.465 -10.951 1.00 13.74 C ATOM 1452 C ASP C 76 34.023 1.102 -11.264 1.00 15.50 C ATOM 1453 O ASP C 76 34.314 0.503 -12.299 1.00 17.15 O ATOM 1454 CB ASP C 76 35.999 2.283 -10.281 1.00 13.10 C ATOM 1455 CG ASP C 76 37.016 3.304 -10.752 1.00 14.12 C ATOM 1456 OD1 ASP C 76 36.941 4.467 -10.302 1.00 13.58 O ATOM 1457 OD2 ASP C 76 37.887 2.941 -11.570 1.00 15.90 O ATOM 0 H ASP C 76 34.153 3.495 -9.192 1.00 12.47 H new ATOM 0 HA ASP C 76 34.769 3.007 -11.888 1.00 13.74 H new ATOM 0 HB2 ASP C 76 35.883 2.362 -9.200 1.00 13.10 H new ATOM 0 HB3 ASP C 76 36.372 1.280 -10.489 1.00 13.10 H new ATOM 1462 N LEU C 77 33.173 0.617 -10.363 1.00 15.33 N ATOM 1463 CA LEU C 77 32.520 -0.672 -10.543 1.00 17.03 C ATOM 1464 C LEU C 77 31.533 -0.617 -11.708 1.00 19.36 C ATOM 1465 O LEU C 77 31.669 -1.356 -12.682 1.00 21.18 O ATOM 1466 CB LEU C 77 31.823 -1.085 -9.236 1.00 16.27 C ATOM 1467 CG LEU C 77 30.622 -2.030 -9.370 1.00 16.42 C ATOM 1468 CD1 LEU C 77 30.901 -3.124 -10.390 1.00 15.73 C ATOM 1469 CD2 LEU C 77 30.274 -2.637 -8.019 1.00 17.09 C ATOM 0 H LEU C 77 32.921 1.100 -9.500 1.00 15.33 H new ATOM 0 HA LEU C 77 33.270 -1.424 -10.786 1.00 17.03 H new ATOM 0 HB2 LEU C 77 32.562 -1.561 -8.591 1.00 16.27 H new ATOM 0 HB3 LEU C 77 31.490 -0.181 -8.726 1.00 16.27 H new ATOM 0 HG LEU C 77 29.769 -1.450 -9.723 1.00 16.42 H new ATOM 0 HD11 LEU C 77 30.034 -3.780 -10.466 1.00 15.73 H new ATOM 0 HD12 LEU C 77 31.101 -2.673 -11.362 1.00 15.73 H new ATOM 0 HD13 LEU C 77 31.768 -3.704 -10.074 1.00 15.73 H new ATOM 0 HD21 LEU C 77 29.420 -3.305 -8.129 1.00 17.09 H new ATOM 0 HD22 LEU C 77 31.128 -3.199 -7.642 1.00 17.09 H new ATOM 0 HD23 LEU C 77 30.024 -1.842 -7.316 1.00 17.09 H new ATOM 1481 N TYR C 78 30.544 0.265 -11.606 1.00 19.40 N ATOM 1482 CA TYR C 78 29.547 0.409 -12.660 1.00 21.64 C ATOM 1483 C TYR C 78 30.212 0.786 -13.981 1.00 22.55 C ATOM 1484 O TYR C 78 29.662 0.540 -15.056 1.00 23.14 O ATOM 1485 CB TYR C 78 28.506 1.462 -12.274 1.00 23.24 C ATOM 1486 CG TYR C 78 27.637 1.052 -11.107 1.00 23.41 C ATOM 1487 CD1 TYR C 78 27.207 -0.279 -10.961 1.00 23.89 C ATOM 1488 CD2 TYR C 78 27.239 1.989 -10.139 1.00 23.34 C ATOM 1489 CE1 TYR C 78 26.403 -0.662 -9.884 1.00 24.52 C ATOM 1490 CE2 TYR C 78 26.436 1.613 -9.059 1.00 23.74 C ATOM 1491 CZ TYR C 78 26.022 0.286 -8.937 1.00 24.45 C ATOM 1492 OH TYR C 78 25.231 -0.087 -7.874 1.00 25.28 O ATOM 0 H TYR C 78 30.412 0.887 -10.809 1.00 19.40 H new ATOM 0 HA TYR C 78 29.044 -0.550 -12.786 1.00 21.64 H new ATOM 0 HB2 TYR C 78 29.017 2.393 -12.027 1.00 23.24 H new ATOM 0 HB3 TYR C 78 27.871 1.666 -13.136 1.00 23.24 H new ATOM 0 HD1 TYR C 78 27.503 -1.017 -11.692 1.00 23.89 H new ATOM 0 HD2 TYR C 78 27.559 3.016 -10.231 1.00 23.34 H new ATOM 0 HE1 TYR C 78 26.079 -1.688 -9.786 1.00 24.52 H new ATOM 0 HE2 TYR C 78 26.138 2.345 -8.323 1.00 23.74 H new ATOM 0 HH TYR C 78 24.301 -0.168 -8.171 1.00 25.28 H new ATOM 1502 N LYS C 79 31.400 1.379 -13.895 1.00 22.74 N ATOM 1503 CA LYS C 79 32.140 1.782 -15.084 1.00 23.74 C ATOM 1504 C LYS C 79 32.622 0.560 -15.857 1.00 23.67 C ATOM 1505 O LYS C 79 32.689 0.575 -17.086 1.00 23.46 O ATOM 1506 CB LYS C 79 33.334 2.657 -14.696 1.00 22.37 C ATOM 1507 CG LYS C 79 33.076 4.146 -14.852 1.00 24.06 C ATOM 1508 CD LYS C 79 33.575 4.659 -16.193 1.00 25.78 C ATOM 1509 CE LYS C 79 33.448 6.171 -16.293 1.00 26.26 C ATOM 1510 NZ LYS C 79 33.350 6.629 -17.706 1.00 28.23 N ATOM 0 H LYS C 79 31.869 1.590 -13.014 1.00 22.74 H new ATOM 0 HA LYS C 79 31.471 2.358 -15.723 1.00 23.74 H new ATOM 0 HB2 LYS C 79 33.603 2.450 -13.660 1.00 22.37 H new ATOM 0 HB3 LYS C 79 34.191 2.379 -15.309 1.00 22.37 H new ATOM 0 HG2 LYS C 79 32.008 4.343 -14.760 1.00 24.06 H new ATOM 0 HG3 LYS C 79 33.571 4.689 -14.046 1.00 24.06 H new ATOM 0 HD2 LYS C 79 34.617 4.370 -16.329 1.00 25.78 H new ATOM 0 HD3 LYS C 79 33.007 4.191 -16.997 1.00 25.78 H new ATOM 0 HE2 LYS C 79 32.565 6.498 -15.744 1.00 26.26 H new ATOM 0 HE3 LYS C 79 34.310 6.640 -15.819 1.00 26.26 H new ATOM 0 HZ1 LYS C 79 33.265 7.665 -17.730 1.00 28.23 H new ATOM 0 HZ2 LYS C 79 34.204 6.340 -18.225 1.00 28.23 H new ATOM 0 HZ3 LYS C 79 32.513 6.203 -18.152 1.00 28.23 H new ATOM 1524 N LYS C 80 32.955 -0.499 -15.126 1.00 24.00 N ATOM 1525 CA LYS C 80 33.431 -1.732 -15.740 1.00 24.25 C ATOM 1526 C LYS C 80 32.306 -2.433 -16.496 1.00 27.08 C ATOM 1527 O LYS C 80 32.547 -3.135 -17.477 1.00 27.83 O ATOM 1528 CB LYS C 80 34.006 -2.668 -14.676 1.00 23.21 C ATOM 1529 CG LYS C 80 34.563 -3.963 -15.242 1.00 23.33 C ATOM 1530 CD LYS C 80 34.796 -4.995 -14.151 1.00 24.08 C ATOM 1531 CE LYS C 80 35.441 -6.255 -14.704 1.00 25.31 C ATOM 1532 NZ LYS C 80 36.613 -6.682 -13.892 1.00 25.38 N ATOM 0 H LYS C 80 32.904 -0.527 -14.108 1.00 24.00 H new ATOM 0 HA LYS C 80 34.217 -1.475 -16.450 1.00 24.25 H new ATOM 0 HB2 LYS C 80 34.797 -2.148 -14.135 1.00 23.21 H new ATOM 0 HB3 LYS C 80 33.226 -2.904 -13.952 1.00 23.21 H new ATOM 0 HG2 LYS C 80 33.871 -4.365 -15.982 1.00 23.33 H new ATOM 0 HG3 LYS C 80 35.501 -3.761 -15.759 1.00 23.33 H new ATOM 0 HD2 LYS C 80 35.433 -4.569 -13.376 1.00 24.08 H new ATOM 0 HD3 LYS C 80 33.846 -5.248 -13.679 1.00 24.08 H new ATOM 0 HE2 LYS C 80 34.705 -7.058 -14.729 1.00 25.31 H new ATOM 0 HE3 LYS C 80 35.757 -6.080 -15.732 1.00 25.31 H new ATOM 0 HZ1 LYS C 80 37.024 -7.545 -14.303 1.00 25.38 H new ATOM 0 HZ2 LYS C 80 37.327 -5.926 -13.889 1.00 25.38 H new ATOM 0 HZ3 LYS C 80 36.308 -6.874 -12.917 1.00 25.38 H new ATOM 1546 N THR C 81 31.077 -2.239 -16.029 1.00 28.68 N ATOM 1547 CA THR C 81 29.913 -2.852 -16.657 1.00 31.44 C ATOM 1548 C THR C 81 29.708 -2.319 -18.071 1.00 32.43 C ATOM 1549 O THR C 81 29.634 -3.086 -19.030 1.00 32.24 O ATOM 1550 CB THR C 81 28.663 -2.602 -15.817 1.00 32.60 C ATOM 1551 OG1 THR C 81 28.984 -1.879 -14.642 1.00 30.67 O ATOM 1552 CG2 THR C 81 27.960 -3.875 -15.395 1.00 33.90 C ATOM 0 H THR C 81 30.862 -1.661 -15.217 1.00 28.68 H new ATOM 0 HA THR C 81 30.091 -3.926 -16.719 1.00 31.44 H new ATOM 0 HB THR C 81 27.993 -2.032 -16.461 1.00 32.60 H new ATOM 0 HG1 THR C 81 28.876 -0.919 -14.809 1.00 30.67 H new ATOM 0 HG21 THR C 81 27.081 -3.625 -14.801 1.00 33.90 H new ATOM 0 HG22 THR C 81 27.654 -4.432 -16.280 1.00 33.90 H new ATOM 0 HG23 THR C 81 28.639 -4.485 -14.799 1.00 33.90 H new ATOM 1616 N ASP D 54 26.175 6.701 -17.207 1.00 33.54 N ATOM 1617 CA ASP D 54 25.173 6.269 -16.240 1.00 31.78 C ATOM 1618 C ASP D 54 25.835 5.616 -15.031 1.00 30.68 C ATOM 1619 O ASP D 54 25.295 5.642 -13.926 1.00 30.24 O ATOM 1620 CB ASP D 54 24.194 5.290 -16.891 1.00 32.43 C ATOM 1621 CG ASP D 54 22.865 5.937 -17.225 1.00 31.76 C ATOM 1622 OD1 ASP D 54 22.870 7.081 -17.728 1.00 33.10 O ATOM 1623 OD2 ASP D 54 21.817 5.299 -16.987 1.00 30.10 O ATOM 0 HA ASP D 54 24.624 7.148 -15.903 1.00 31.78 H new ATOM 0 HB2 ASP D 54 24.638 4.888 -17.802 1.00 32.43 H new ATOM 0 HB3 ASP D 54 24.026 4.448 -16.220 1.00 32.43 H new ATOM 1628 N ALA D 55 27.010 5.033 -15.250 1.00 30.33 N ATOM 1629 CA ALA D 55 27.747 4.375 -14.177 1.00 29.37 C ATOM 1630 C ALA D 55 27.961 5.324 -13.005 1.00 28.22 C ATOM 1631 O ALA D 55 27.887 4.921 -11.844 1.00 27.15 O ATOM 1632 CB ALA D 55 29.082 3.860 -14.692 1.00 30.04 C ATOM 0 H ALA D 55 27.471 5.003 -16.159 1.00 30.33 H new ATOM 0 HA ALA D 55 27.157 3.529 -13.826 1.00 29.37 H new ATOM 0 HB1 ALA D 55 29.621 3.371 -13.880 1.00 30.04 H new ATOM 0 HB2 ALA D 55 28.910 3.144 -15.496 1.00 30.04 H new ATOM 0 HB3 ALA D 55 29.673 4.695 -15.069 1.00 30.04 H new ATOM 1638 N GLU D 56 28.224 6.589 -13.316 1.00 28.50 N ATOM 1639 CA GLU D 56 28.448 7.600 -12.290 1.00 27.53 C ATOM 1640 C GLU D 56 27.137 7.979 -11.608 1.00 26.88 C ATOM 1641 O GLU D 56 27.068 8.077 -10.383 1.00 27.52 O ATOM 1642 CB GLU D 56 29.098 8.841 -12.902 1.00 28.22 C ATOM 1643 CG GLU D 56 30.097 9.522 -11.980 1.00 30.01 C ATOM 1644 CD GLU D 56 30.029 11.034 -12.066 1.00 30.55 C ATOM 1645 OE1 GLU D 56 29.275 11.547 -12.919 1.00 29.54 O ATOM 1646 OE2 GLU D 56 30.732 11.705 -11.281 1.00 32.09 O ATOM 0 H GLU D 56 28.287 6.939 -14.272 1.00 28.50 H new ATOM 0 HA GLU D 56 29.119 7.181 -11.540 1.00 27.53 H new ATOM 0 HB2 GLU D 56 29.603 8.558 -13.826 1.00 28.22 H new ATOM 0 HB3 GLU D 56 28.319 9.554 -13.170 1.00 28.22 H new ATOM 0 HG2 GLU D 56 29.909 9.211 -10.952 1.00 30.01 H new ATOM 0 HG3 GLU D 56 31.104 9.192 -12.234 1.00 30.01 H new ATOM 1653 N ARG D 57 26.099 8.190 -12.411 1.00 25.81 N ATOM 1654 CA ARG D 57 24.789 8.558 -11.887 1.00 25.41 C ATOM 1655 C ARG D 57 24.321 7.554 -10.839 1.00 23.58 C ATOM 1656 O ARG D 57 23.675 7.922 -9.857 1.00 23.46 O ATOM 1657 CB ARG D 57 23.765 8.640 -13.021 1.00 25.48 C ATOM 1658 CG ARG D 57 23.355 10.060 -13.372 1.00 25.19 C ATOM 1659 CD ARG D 57 24.471 10.802 -14.091 1.00 27.07 C ATOM 1660 NE ARG D 57 24.278 10.807 -15.538 1.00 27.91 N ATOM 1661 CZ ARG D 57 25.131 11.365 -16.392 1.00 28.37 C ATOM 1662 NH1 ARG D 57 26.226 11.962 -15.943 1.00 28.06 N ATOM 1663 NH2 ARG D 57 24.888 11.325 -17.694 1.00 29.16 N ATOM 0 H ARG D 57 26.140 8.112 -13.427 1.00 25.81 H new ATOM 0 HA ARG D 57 24.878 9.537 -11.415 1.00 25.41 H new ATOM 0 HB2 ARG D 57 24.179 8.161 -13.908 1.00 25.48 H new ATOM 0 HB3 ARG D 57 22.877 8.074 -12.739 1.00 25.48 H new ATOM 0 HG2 ARG D 57 22.466 10.038 -14.003 1.00 25.19 H new ATOM 0 HG3 ARG D 57 23.087 10.597 -12.462 1.00 25.19 H new ATOM 0 HD2 ARG D 57 24.517 11.829 -13.727 1.00 27.07 H new ATOM 0 HD3 ARG D 57 25.428 10.337 -13.854 1.00 27.07 H new ATOM 0 HE ARG D 57 23.443 10.358 -15.915 1.00 27.91 H new ATOM 0 HH11 ARG D 57 26.415 11.994 -14.941 1.00 28.06 H new ATOM 0 HH12 ARG D 57 26.879 12.390 -16.599 1.00 28.06 H new ATOM 0 HH21 ARG D 57 24.046 10.866 -18.042 1.00 29.16 H new ATOM 0 HH22 ARG D 57 25.543 11.753 -18.348 1.00 29.16 H new ATOM 1677 N LEU D 58 24.650 6.285 -11.054 1.00 22.27 N ATOM 1678 CA LEU D 58 24.263 5.226 -10.129 1.00 20.70 C ATOM 1679 C LEU D 58 25.110 5.273 -8.864 1.00 19.00 C ATOM 1680 O LEU D 58 24.588 5.418 -7.760 1.00 17.25 O ATOM 1681 CB LEU D 58 24.405 3.857 -10.796 1.00 21.44 C ATOM 1682 CG LEU D 58 23.634 3.692 -12.106 1.00 21.76 C ATOM 1683 CD1 LEU D 58 24.198 2.533 -12.911 1.00 21.12 C ATOM 1684 CD2 LEU D 58 22.154 3.480 -11.829 1.00 21.84 C ATOM 0 H LEU D 58 25.184 5.964 -11.862 1.00 22.27 H new ATOM 0 HA LEU D 58 23.220 5.384 -9.855 1.00 20.70 H new ATOM 0 HB2 LEU D 58 25.462 3.671 -10.988 1.00 21.44 H new ATOM 0 HB3 LEU D 58 24.069 3.092 -10.096 1.00 21.44 H new ATOM 0 HG LEU D 58 23.747 4.605 -12.691 1.00 21.76 H new ATOM 0 HD11 LEU D 58 23.638 2.429 -13.840 1.00 21.12 H new ATOM 0 HD12 LEU D 58 25.247 2.724 -13.139 1.00 21.12 H new ATOM 0 HD13 LEU D 58 24.114 1.613 -12.332 1.00 21.12 H new ATOM 0 HD21 LEU D 58 21.620 3.364 -12.772 1.00 21.84 H new ATOM 0 HD22 LEU D 58 22.022 2.582 -11.225 1.00 21.84 H new ATOM 0 HD23 LEU D 58 21.758 4.341 -11.291 1.00 21.84 H new ATOM 1696 N ALA D 59 26.422 5.157 -9.036 1.00 19.74 N ATOM 1697 CA ALA D 59 27.356 5.187 -7.913 1.00 18.46 C ATOM 1698 C ALA D 59 26.984 6.280 -6.919 1.00 17.56 C ATOM 1699 O ALA D 59 27.233 6.158 -5.720 1.00 18.14 O ATOM 1700 CB ALA D 59 28.777 5.389 -8.416 1.00 18.91 C ATOM 0 H ALA D 59 26.866 5.041 -9.947 1.00 19.74 H new ATOM 0 HA ALA D 59 27.297 4.229 -7.397 1.00 18.46 H new ATOM 0 HB1 ALA D 59 29.463 5.410 -7.569 1.00 18.91 H new ATOM 0 HB2 ALA D 59 29.047 4.570 -9.082 1.00 18.91 H new ATOM 0 HB3 ALA D 59 28.841 6.333 -8.957 1.00 18.91 H new ATOM 1706 N ASP D 60 26.381 7.347 -7.429 1.00 16.38 N ATOM 1707 CA ASP D 60 25.965 8.462 -6.589 1.00 15.60 C ATOM 1708 C ASP D 60 24.589 8.202 -5.983 1.00 12.81 C ATOM 1709 O ASP D 60 24.326 8.564 -4.837 1.00 12.02 O ATOM 1710 CB ASP D 60 25.949 9.761 -7.396 1.00 16.17 C ATOM 1711 CG ASP D 60 25.893 10.991 -6.512 1.00 17.27 C ATOM 1712 OD1 ASP D 60 26.193 10.871 -5.305 1.00 18.20 O ATOM 1713 OD2 ASP D 60 25.549 12.076 -7.026 1.00 17.38 O ATOM 0 H ASP D 60 26.169 7.463 -8.420 1.00 16.38 H new ATOM 0 HA ASP D 60 26.685 8.561 -5.777 1.00 15.60 H new ATOM 0 HB2 ASP D 60 26.840 9.807 -8.022 1.00 16.17 H new ATOM 0 HB3 ASP D 60 25.089 9.759 -8.065 1.00 16.17 H new ATOM 1718 N GLU D 61 23.719 7.565 -6.757 1.00 11.66 N ATOM 1719 CA GLU D 61 22.376 7.248 -6.294 1.00 9.03 C ATOM 1720 C GLU D 61 22.417 6.136 -5.251 1.00 8.69 C ATOM 1721 O GLU D 61 21.801 6.239 -4.190 1.00 8.06 O ATOM 1722 CB GLU D 61 21.494 6.827 -7.472 1.00 7.98 C ATOM 1723 CG GLU D 61 20.033 6.636 -7.099 1.00 7.91 C ATOM 1724 CD GLU D 61 19.386 7.914 -6.604 1.00 7.38 C ATOM 1725 OE1 GLU D 61 19.130 8.810 -7.436 1.00 7.23 O ATOM 1726 OE2 GLU D 61 19.136 8.019 -5.385 1.00 7.27 O ATOM 0 H GLU D 61 23.921 7.258 -7.709 1.00 11.66 H new ATOM 0 HA GLU D 61 21.952 8.141 -5.835 1.00 9.03 H new ATOM 0 HB2 GLU D 61 21.565 7.581 -8.256 1.00 7.98 H new ATOM 0 HB3 GLU D 61 21.879 5.896 -7.889 1.00 7.98 H new ATOM 0 HG2 GLU D 61 19.485 6.268 -7.967 1.00 7.91 H new ATOM 0 HG3 GLU D 61 19.956 5.871 -6.326 1.00 7.91 H new ATOM 1733 N GLN D 62 23.151 5.071 -5.561 1.00 9.62 N ATOM 1734 CA GLN D 62 23.273 3.939 -4.653 1.00 9.41 C ATOM 1735 C GLN D 62 24.078 4.314 -3.409 1.00 10.61 C ATOM 1736 O GLN D 62 23.792 3.835 -2.311 1.00 10.95 O ATOM 1737 CB GLN D 62 23.940 2.755 -5.356 1.00 8.59 C ATOM 1738 CG GLN D 62 23.568 2.606 -6.824 1.00 8.60 C ATOM 1739 CD GLN D 62 22.085 2.777 -7.083 1.00 6.22 C ATOM 1740 OE1 GLN D 62 21.293 2.953 -6.157 1.00 5.81 O ATOM 1741 NE2 GLN D 62 21.700 2.723 -8.353 1.00 5.54 N ATOM 0 H GLN D 62 23.669 4.970 -6.434 1.00 9.62 H new ATOM 0 HA GLN D 62 22.267 3.654 -4.345 1.00 9.41 H new ATOM 0 HB2 GLN D 62 25.022 2.863 -5.277 1.00 8.59 H new ATOM 0 HB3 GLN D 62 23.672 1.838 -4.831 1.00 8.59 H new ATOM 0 HG2 GLN D 62 24.120 3.342 -7.409 1.00 8.60 H new ATOM 0 HG3 GLN D 62 23.880 1.622 -7.174 1.00 8.60 H new ATOM 0 HE21 GLN D 62 22.390 2.575 -9.089 1.00 5.54 H new ATOM 0 HE22 GLN D 62 20.714 2.829 -8.592 1.00 5.54 H new ATOM 1750 N SER D 63 25.084 5.170 -3.582 1.00 11.36 N ATOM 1751 CA SER D 63 25.917 5.591 -2.459 1.00 12.51 C ATOM 1752 C SER D 63 25.106 6.408 -1.460 1.00 11.70 C ATOM 1753 O SER D 63 25.053 6.079 -0.274 1.00 10.33 O ATOM 1754 CB SER D 63 27.115 6.405 -2.951 1.00 15.56 C ATOM 1755 OG SER D 63 26.694 7.528 -3.702 1.00 16.64 O ATOM 0 H SER D 63 25.340 5.581 -4.480 1.00 11.36 H new ATOM 0 HA SER D 63 26.284 4.695 -1.959 1.00 12.51 H new ATOM 0 HB2 SER D 63 27.709 6.735 -2.099 1.00 15.56 H new ATOM 0 HB3 SER D 63 27.760 5.775 -3.564 1.00 15.56 H new ATOM 0 HG SER D 63 26.594 7.273 -4.643 1.00 16.64 H new ATOM 1761 N GLU D 64 24.469 7.469 -1.943 1.00 13.00 N ATOM 1762 CA GLU D 64 23.658 8.323 -1.091 1.00 13.38 C ATOM 1763 C GLU D 64 22.648 7.494 -0.307 1.00 11.02 C ATOM 1764 O GLU D 64 22.266 7.852 0.807 1.00 11.34 O ATOM 1765 CB GLU D 64 22.939 9.377 -1.934 1.00 15.41 C ATOM 1766 CG GLU D 64 21.903 8.800 -2.884 1.00 14.63 C ATOM 1767 CD GLU D 64 20.579 9.534 -2.817 1.00 15.90 C ATOM 1768 OE1 GLU D 64 20.418 10.535 -3.548 1.00 16.53 O ATOM 1769 OE2 GLU D 64 19.702 9.109 -2.036 1.00 16.33 O ATOM 0 H GLU D 64 24.500 7.756 -2.921 1.00 13.00 H new ATOM 0 HA GLU D 64 24.314 8.827 -0.381 1.00 13.38 H new ATOM 0 HB2 GLU D 64 22.451 10.090 -1.269 1.00 15.41 H new ATOM 0 HB3 GLU D 64 23.678 9.933 -2.511 1.00 15.41 H new ATOM 0 HG2 GLU D 64 22.287 8.842 -3.903 1.00 14.63 H new ATOM 0 HG3 GLU D 64 21.744 7.748 -2.647 1.00 14.63 H new ATOM 1776 N LEU D 65 22.225 6.379 -0.894 1.00 9.27 N ATOM 1777 CA LEU D 65 21.263 5.493 -0.251 1.00 7.28 C ATOM 1778 C LEU D 65 21.878 4.829 0.977 1.00 5.93 C ATOM 1779 O LEU D 65 21.207 4.623 1.986 1.00 5.07 O ATOM 1780 CB LEU D 65 20.783 4.427 -1.238 1.00 7.87 C ATOM 1781 CG LEU D 65 19.305 4.519 -1.622 1.00 9.43 C ATOM 1782 CD1 LEU D 65 19.132 4.337 -3.122 1.00 10.04 C ATOM 1783 CD2 LEU D 65 18.492 3.483 -0.860 1.00 8.73 C ATOM 0 H LEU D 65 22.534 6.068 -1.815 1.00 9.27 H new ATOM 0 HA LEU D 65 20.409 6.090 0.069 1.00 7.28 H new ATOM 0 HB2 LEU D 65 21.383 4.497 -2.145 1.00 7.87 H new ATOM 0 HB3 LEU D 65 20.970 3.444 -0.807 1.00 7.87 H new ATOM 0 HG LEU D 65 18.939 5.510 -1.352 1.00 9.43 H new ATOM 0 HD11 LEU D 65 18.075 4.405 -3.377 1.00 10.04 H new ATOM 0 HD12 LEU D 65 19.684 5.116 -3.649 1.00 10.04 H new ATOM 0 HD13 LEU D 65 19.514 3.359 -3.416 1.00 10.04 H new ATOM 0 HD21 LEU D 65 17.443 3.562 -1.145 1.00 8.73 H new ATOM 0 HD22 LEU D 65 18.859 2.485 -1.099 1.00 8.73 H new ATOM 0 HD23 LEU D 65 18.591 3.659 0.211 1.00 8.73 H new ATOM 1795 N VAL D 66 23.162 4.493 0.882 1.00 6.53 N ATOM 1796 CA VAL D 66 23.866 3.852 1.983 1.00 6.76 C ATOM 1797 C VAL D 66 24.016 4.802 3.165 1.00 7.22 C ATOM 1798 O VAL D 66 23.976 4.382 4.322 1.00 7.51 O ATOM 1799 CB VAL D 66 25.261 3.365 1.553 1.00 7.80 C ATOM 1800 CG1 VAL D 66 25.811 2.364 2.556 1.00 8.58 C ATOM 1801 CG2 VAL D 66 25.208 2.759 0.159 1.00 8.04 C ATOM 0 H VAL D 66 23.734 4.655 0.053 1.00 6.53 H new ATOM 0 HA VAL D 66 23.266 2.992 2.282 1.00 6.76 H new ATOM 0 HB VAL D 66 25.933 4.223 1.527 1.00 7.80 H new ATOM 0 HG11 VAL D 66 26.798 2.031 2.234 1.00 8.58 H new ATOM 0 HG12 VAL D 66 25.888 2.836 3.536 1.00 8.58 H new ATOM 0 HG13 VAL D 66 25.142 1.506 2.618 1.00 8.58 H new ATOM 0 HG21 VAL D 66 26.203 2.420 -0.128 1.00 8.04 H new ATOM 0 HG22 VAL D 66 24.521 1.912 0.156 1.00 8.04 H new ATOM 0 HG23 VAL D 66 24.861 3.510 -0.551 1.00 8.04 H new ATOM 1811 N LYS D 67 24.189 6.086 2.868 1.00 7.88 N ATOM 1812 CA LYS D 67 24.345 7.094 3.907 1.00 8.52 C ATOM 1813 C LYS D 67 23.107 7.158 4.794 1.00 7.86 C ATOM 1814 O LYS D 67 23.182 6.900 5.994 1.00 8.04 O ATOM 1815 CB LYS D 67 24.612 8.465 3.284 1.00 9.41 C ATOM 1816 CG LYS D 67 25.202 9.472 4.259 1.00 12.28 C ATOM 1817 CD LYS D 67 24.781 10.891 3.915 1.00 13.14 C ATOM 1818 CE LYS D 67 23.715 11.402 4.870 1.00 14.70 C ATOM 1819 NZ LYS D 67 23.212 12.746 4.472 1.00 14.10 N ATOM 0 H LYS D 67 24.224 6.451 1.916 1.00 7.88 H new ATOM 0 HA LYS D 67 25.198 6.812 4.524 1.00 8.52 H new ATOM 0 HB2 LYS D 67 25.293 8.346 2.441 1.00 9.41 H new ATOM 0 HB3 LYS D 67 23.678 8.862 2.885 1.00 9.41 H new ATOM 0 HG2 LYS D 67 24.880 9.231 5.272 1.00 12.28 H new ATOM 0 HG3 LYS D 67 26.290 9.400 4.245 1.00 12.28 H new ATOM 0 HD2 LYS D 67 25.650 11.549 3.952 1.00 13.14 H new ATOM 0 HD3 LYS D 67 24.401 10.922 2.894 1.00 13.14 H new ATOM 0 HE2 LYS D 67 22.884 10.697 4.898 1.00 14.70 H new ATOM 0 HE3 LYS D 67 24.125 11.452 5.879 1.00 14.70 H new ATOM 0 HZ1 LYS D 67 22.487 13.059 5.148 1.00 14.10 H new ATOM 0 HZ2 LYS D 67 24.000 13.425 4.470 1.00 14.10 H new ATOM 0 HZ3 LYS D 67 22.798 12.694 3.520 1.00 14.10 H new ATOM 1833 N LYS D 68 21.969 7.499 4.200 1.00 7.86 N ATOM 1834 CA LYS D 68 20.720 7.589 4.947 1.00 7.76 C ATOM 1835 C LYS D 68 20.436 6.277 5.673 1.00 7.83 C ATOM 1836 O LYS D 68 19.762 6.259 6.703 1.00 8.08 O ATOM 1837 CB LYS D 68 19.559 7.936 4.013 1.00 7.04 C ATOM 1838 CG LYS D 68 19.149 6.793 3.099 1.00 5.57 C ATOM 1839 CD LYS D 68 18.370 7.293 1.894 1.00 6.95 C ATOM 1840 CE LYS D 68 16.961 7.713 2.276 1.00 7.72 C ATOM 1841 NZ LYS D 68 16.390 8.692 1.311 1.00 8.46 N ATOM 0 H LYS D 68 21.885 7.717 3.207 1.00 7.86 H new ATOM 0 HA LYS D 68 20.821 8.383 5.687 1.00 7.76 H new ATOM 0 HB2 LYS D 68 18.700 8.237 4.612 1.00 7.04 H new ATOM 0 HB3 LYS D 68 19.839 8.795 3.403 1.00 7.04 H new ATOM 0 HG2 LYS D 68 20.037 6.259 2.763 1.00 5.57 H new ATOM 0 HG3 LYS D 68 18.541 6.081 3.656 1.00 5.57 H new ATOM 0 HD2 LYS D 68 18.894 8.138 1.446 1.00 6.95 H new ATOM 0 HD3 LYS D 68 18.325 6.509 1.138 1.00 6.95 H new ATOM 0 HE2 LYS D 68 16.320 6.833 2.321 1.00 7.72 H new ATOM 0 HE3 LYS D 68 16.971 8.151 3.274 1.00 7.72 H new ATOM 0 HZ1 LYS D 68 15.428 8.952 1.609 1.00 8.46 H new ATOM 0 HZ2 LYS D 68 16.987 9.543 1.286 1.00 8.46 H new ATOM 0 HZ3 LYS D 68 16.356 8.265 0.363 1.00 8.46 H new ATOM 1855 N MET D 69 20.960 5.183 5.129 1.00 7.79 N ATOM 1856 CA MET D 69 20.768 3.866 5.723 1.00 8.11 C ATOM 1857 C MET D 69 21.608 3.715 6.987 1.00 9.07 C ATOM 1858 O MET D 69 21.093 3.369 8.051 1.00 10.95 O ATOM 1859 CB MET D 69 21.134 2.772 4.718 1.00 7.34 C ATOM 1860 CG MET D 69 20.874 1.364 5.226 1.00 8.50 C ATOM 1861 SD MET D 69 21.545 0.096 4.132 1.00 7.60 S ATOM 1862 CE MET D 69 23.277 0.552 4.109 1.00 5.18 C ATOM 0 H MET D 69 21.521 5.183 4.277 1.00 7.79 H new ATOM 0 HA MET D 69 19.717 3.764 5.992 1.00 8.11 H new ATOM 0 HB2 MET D 69 20.566 2.929 3.801 1.00 7.34 H new ATOM 0 HB3 MET D 69 22.189 2.867 4.460 1.00 7.34 H new ATOM 0 HG2 MET D 69 21.313 1.253 6.217 1.00 8.50 H new ATOM 0 HG3 MET D 69 19.800 1.214 5.335 1.00 8.50 H new ATOM 0 HE1 MET D 69 23.891 -0.346 4.177 1.00 5.18 H new ATOM 0 HE2 MET D 69 23.503 1.077 3.181 1.00 5.18 H new ATOM 0 HE3 MET D 69 23.493 1.204 4.956 1.00 5.18 H new ATOM 1872 N VAL D 70 22.905 3.981 6.864 1.00 8.03 N ATOM 1873 CA VAL D 70 23.815 3.876 7.997 1.00 8.76 C ATOM 1874 C VAL D 70 23.668 5.072 8.934 1.00 10.46 C ATOM 1875 O VAL D 70 24.027 4.999 10.109 1.00 10.75 O ATOM 1876 CB VAL D 70 25.279 3.767 7.532 1.00 8.41 C ATOM 1877 CG1 VAL D 70 26.216 3.670 8.728 1.00 7.75 C ATOM 1878 CG2 VAL D 70 25.454 2.571 6.611 1.00 8.42 C ATOM 0 H VAL D 70 23.348 4.270 5.992 1.00 8.03 H new ATOM 0 HA VAL D 70 23.549 2.967 8.536 1.00 8.76 H new ATOM 0 HB VAL D 70 25.533 4.669 6.975 1.00 8.41 H new ATOM 0 HG11 VAL D 70 27.246 3.594 8.378 1.00 7.75 H new ATOM 0 HG12 VAL D 70 26.108 4.560 9.348 1.00 7.75 H new ATOM 0 HG13 VAL D 70 25.966 2.787 9.315 1.00 7.75 H new ATOM 0 HG21 VAL D 70 26.494 2.507 6.291 1.00 8.42 H new ATOM 0 HG22 VAL D 70 25.182 1.659 7.143 1.00 8.42 H new ATOM 0 HG23 VAL D 70 24.812 2.687 5.738 1.00 8.42 H new ATOM 1888 N PHE D 71 23.130 6.170 8.410 1.00 12.08 N ATOM 1889 CA PHE D 71 22.930 7.374 9.205 1.00 13.83 C ATOM 1890 C PHE D 71 21.917 7.117 10.313 1.00 16.57 C ATOM 1891 O PHE D 71 22.127 7.503 11.463 1.00 17.99 O ATOM 1892 CB PHE D 71 22.456 8.526 8.316 1.00 14.04 C ATOM 1893 CG PHE D 71 22.277 9.821 9.056 1.00 13.52 C ATOM 1894 CD1 PHE D 71 23.294 10.314 9.888 1.00 12.18 C ATOM 1895 CD2 PHE D 71 21.092 10.560 8.926 1.00 14.51 C ATOM 1896 CE1 PHE D 71 23.130 11.519 10.577 1.00 11.84 C ATOM 1897 CE2 PHE D 71 20.924 11.765 9.613 1.00 14.07 C ATOM 1898 CZ PHE D 71 21.944 12.245 10.439 1.00 12.73 C ATOM 0 H PHE D 71 22.826 6.249 7.440 1.00 12.08 H new ATOM 0 HA PHE D 71 23.882 7.650 9.659 1.00 13.83 H new ATOM 0 HB2 PHE D 71 23.176 8.673 7.511 1.00 14.04 H new ATOM 0 HB3 PHE D 71 21.510 8.249 7.850 1.00 14.04 H new ATOM 0 HD1 PHE D 71 24.213 9.757 9.997 1.00 12.18 H new ATOM 0 HD2 PHE D 71 20.301 10.194 8.288 1.00 14.51 H new ATOM 0 HE1 PHE D 71 23.919 11.889 11.215 1.00 11.84 H new ATOM 0 HE2 PHE D 71 20.007 12.325 9.506 1.00 14.07 H new ATOM 0 HZ PHE D 71 21.816 13.176 10.970 1.00 12.73 H new ATOM 1908 N ASP D 72 20.820 6.452 9.960 1.00 17.55 N ATOM 1909 CA ASP D 72 19.778 6.132 10.926 1.00 20.12 C ATOM 1910 C ASP D 72 20.281 5.102 11.930 1.00 20.08 C ATOM 1911 O ASP D 72 20.021 5.208 13.128 1.00 20.02 O ATOM 1912 CB ASP D 72 18.534 5.603 10.211 1.00 21.29 C ATOM 1913 CG ASP D 72 17.273 5.787 11.034 1.00 22.75 C ATOM 1914 OD1 ASP D 72 17.388 5.944 12.267 1.00 23.51 O ATOM 1915 OD2 ASP D 72 16.173 5.775 10.443 1.00 23.20 O ATOM 0 H ASP D 72 20.632 6.125 9.012 1.00 17.55 H new ATOM 0 HA ASP D 72 19.514 7.044 11.462 1.00 20.12 H new ATOM 0 HB2 ASP D 72 18.420 6.117 9.257 1.00 21.29 H new ATOM 0 HB3 ASP D 72 18.668 4.544 9.989 1.00 21.29 H new ATOM 1920 N THR D 73 21.009 4.107 11.432 1.00 20.24 N ATOM 1921 CA THR D 73 21.556 3.059 12.284 1.00 20.34 C ATOM 1922 C THR D 73 22.431 3.659 13.379 1.00 21.98 C ATOM 1923 O THR D 73 22.235 3.388 14.564 1.00 23.44 O ATOM 1924 CB THR D 73 22.369 2.066 11.452 1.00 18.22 C ATOM 1925 OG1 THR D 73 21.608 1.586 10.358 1.00 18.76 O ATOM 1926 CG2 THR D 73 22.841 0.868 12.246 1.00 18.07 C ATOM 0 H THR D 73 21.233 4.005 10.442 1.00 20.24 H new ATOM 0 HA THR D 73 20.725 2.531 12.751 1.00 20.34 H new ATOM 0 HB THR D 73 23.242 2.622 11.110 1.00 18.22 H new ATOM 0 HG1 THR D 73 21.620 2.248 9.636 1.00 18.76 H new ATOM 0 HG21 THR D 73 23.411 0.203 11.597 1.00 18.07 H new ATOM 0 HG22 THR D 73 23.473 1.203 13.068 1.00 18.07 H new ATOM 0 HG23 THR D 73 21.979 0.334 12.645 1.00 18.07 H new ATOM 1934 N LEU D 74 23.396 4.478 12.976 1.00 21.82 N ATOM 1935 CA LEU D 74 24.299 5.120 13.924 1.00 23.47 C ATOM 1936 C LEU D 74 23.513 5.931 14.947 1.00 25.42 C ATOM 1937 O LEU D 74 23.837 5.931 16.134 1.00 27.22 O ATOM 1938 CB LEU D 74 25.290 6.025 13.188 1.00 23.31 C ATOM 1939 CG LEU D 74 26.250 5.301 12.243 1.00 22.11 C ATOM 1940 CD1 LEU D 74 26.742 6.245 11.156 1.00 22.86 C ATOM 1941 CD2 LEU D 74 27.424 4.721 13.018 1.00 21.76 C ATOM 0 H LEU D 74 23.573 4.713 11.999 1.00 21.82 H new ATOM 0 HA LEU D 74 24.854 4.342 14.448 1.00 23.47 H new ATOM 0 HB2 LEU D 74 24.728 6.763 12.615 1.00 23.31 H new ATOM 0 HB3 LEU D 74 25.876 6.573 13.926 1.00 23.31 H new ATOM 0 HG LEU D 74 25.712 4.481 11.768 1.00 22.11 H new ATOM 0 HD11 LEU D 74 27.424 5.713 10.493 1.00 22.86 H new ATOM 0 HD12 LEU D 74 25.892 6.614 10.582 1.00 22.86 H new ATOM 0 HD13 LEU D 74 27.263 7.086 11.613 1.00 22.86 H new ATOM 0 HD21 LEU D 74 28.097 4.209 12.330 1.00 21.76 H new ATOM 0 HD22 LEU D 74 27.961 5.525 13.520 1.00 21.76 H new ATOM 0 HD23 LEU D 74 27.056 4.012 13.760 1.00 21.76 H new ATOM 1953 N LYS D 75 22.476 6.619 14.479 1.00 25.16 N ATOM 1954 CA LYS D 75 21.639 7.431 15.356 1.00 26.97 C ATOM 1955 C LYS D 75 21.209 6.629 16.579 1.00 27.50 C ATOM 1956 O LYS D 75 21.265 7.116 17.708 1.00 28.77 O ATOM 1957 CB LYS D 75 20.407 7.934 14.602 1.00 26.96 C ATOM 1958 CG LYS D 75 19.654 9.033 15.334 1.00 26.74 C ATOM 1959 CD LYS D 75 19.171 10.109 14.375 1.00 26.29 C ATOM 1960 CE LYS D 75 18.044 9.601 13.491 1.00 27.36 C ATOM 1961 NZ LYS D 75 16.774 9.437 14.250 1.00 28.87 N ATOM 0 H LYS D 75 22.195 6.631 13.498 1.00 25.16 H new ATOM 0 HA LYS D 75 22.224 8.289 15.688 1.00 26.97 H new ATOM 0 HB2 LYS D 75 20.716 8.305 13.625 1.00 26.96 H new ATOM 0 HB3 LYS D 75 19.732 7.097 14.426 1.00 26.96 H new ATOM 0 HG2 LYS D 75 18.802 8.604 15.860 1.00 26.74 H new ATOM 0 HG3 LYS D 75 20.302 9.480 16.088 1.00 26.74 H new ATOM 0 HD2 LYS D 75 18.829 10.975 14.941 1.00 26.29 H new ATOM 0 HD3 LYS D 75 20.001 10.443 13.752 1.00 26.29 H new ATOM 0 HE2 LYS D 75 17.887 10.297 12.667 1.00 27.36 H new ATOM 0 HE3 LYS D 75 18.330 8.646 13.051 1.00 27.36 H new ATOM 0 HZ1 LYS D 75 15.991 9.271 13.585 1.00 28.87 H new ATOM 0 HZ2 LYS D 75 16.858 8.626 14.896 1.00 28.87 H new ATOM 0 HZ3 LYS D 75 16.584 10.299 14.800 1.00 28.87 H new ATOM 1975 N ASP D 76 20.789 5.392 16.343 1.00 26.64 N ATOM 1976 CA ASP D 76 20.360 4.512 17.419 1.00 27.23 C ATOM 1977 C ASP D 76 21.562 4.028 18.221 1.00 27.47 C ATOM 1978 O ASP D 76 21.501 3.910 19.445 1.00 28.65 O ATOM 1979 CB ASP D 76 19.587 3.318 16.856 1.00 25.95 C ATOM 1980 CG ASP D 76 18.419 2.917 17.734 1.00 26.86 C ATOM 1981 OD1 ASP D 76 17.425 3.673 17.782 1.00 27.50 O ATOM 1982 OD2 ASP D 76 18.498 1.848 18.375 1.00 27.05 O ATOM 0 H ASP D 76 20.737 4.976 15.413 1.00 26.64 H new ATOM 0 HA ASP D 76 19.701 5.074 18.081 1.00 27.23 H new ATOM 0 HB2 ASP D 76 19.221 3.564 15.859 1.00 25.95 H new ATOM 0 HB3 ASP D 76 20.263 2.470 16.747 1.00 25.95 H new ATOM 1987 N LEU D 77 22.659 3.757 17.519 1.00 26.37 N ATOM 1988 CA LEU D 77 23.883 3.293 18.158 1.00 26.47 C ATOM 1989 C LEU D 77 24.313 4.255 19.260 1.00 27.98 C ATOM 1990 O LEU D 77 24.569 3.845 20.393 1.00 28.73 O ATOM 1991 CB LEU D 77 24.999 3.155 17.121 1.00 25.66 C ATOM 1992 CG LEU D 77 25.069 1.795 16.424 1.00 25.95 C ATOM 1993 CD1 LEU D 77 25.902 1.888 15.154 1.00 24.00 C ATOM 1994 CD2 LEU D 77 25.643 0.747 17.365 1.00 27.36 C ATOM 0 H LEU D 77 22.723 3.852 16.505 1.00 26.37 H new ATOM 0 HA LEU D 77 23.689 2.318 18.605 1.00 26.47 H new ATOM 0 HB2 LEU D 77 24.869 3.928 16.364 1.00 25.66 H new ATOM 0 HB3 LEU D 77 25.954 3.346 17.610 1.00 25.66 H new ATOM 0 HG LEU D 77 24.058 1.495 16.148 1.00 25.95 H new ATOM 0 HD11 LEU D 77 25.941 0.911 14.672 1.00 24.00 H new ATOM 0 HD12 LEU D 77 25.450 2.611 14.474 1.00 24.00 H new ATOM 0 HD13 LEU D 77 26.913 2.209 15.405 1.00 24.00 H new ATOM 0 HD21 LEU D 77 25.687 -0.215 16.855 1.00 27.36 H new ATOM 0 HD22 LEU D 77 26.647 1.042 17.669 1.00 27.36 H new ATOM 0 HD23 LEU D 77 25.007 0.662 18.246 1.00 27.36 H new ATOM 2006 N TYR D 78 24.388 5.537 18.919 1.00 28.44 N ATOM 2007 CA TYR D 78 24.783 6.562 19.874 1.00 29.87 C ATOM 2008 C TYR D 78 23.658 6.841 20.864 1.00 32.68 C ATOM 2009 O TYR D 78 23.900 7.062 22.050 1.00 34.35 O ATOM 2010 CB TYR D 78 25.164 7.846 19.138 1.00 28.69 C ATOM 2011 CG TYR D 78 26.536 7.798 18.503 1.00 27.30 C ATOM 2012 CD1 TYR D 78 27.699 7.888 19.288 1.00 25.93 C ATOM 2013 CD2 TYR D 78 26.680 7.661 17.112 1.00 27.43 C ATOM 2014 CE1 TYR D 78 28.967 7.844 18.704 1.00 24.78 C ATOM 2015 CE2 TYR D 78 27.945 7.616 16.519 1.00 26.25 C ATOM 2016 CZ TYR D 78 29.086 7.708 17.319 1.00 24.95 C ATOM 2017 OH TYR D 78 30.332 7.663 16.741 1.00 23.93 O ATOM 0 H TYR D 78 24.179 5.890 17.985 1.00 28.44 H new ATOM 0 HA TYR D 78 25.648 6.199 20.429 1.00 29.87 H new ATOM 0 HB2 TYR D 78 24.422 8.045 18.365 1.00 28.69 H new ATOM 0 HB3 TYR D 78 25.126 8.681 19.838 1.00 28.69 H new ATOM 0 HD1 TYR D 78 27.610 7.993 20.359 1.00 25.93 H new ATOM 0 HD2 TYR D 78 25.799 7.589 16.491 1.00 27.43 H new ATOM 0 HE1 TYR D 78 29.851 7.915 19.320 1.00 24.78 H new ATOM 0 HE2 TYR D 78 28.039 7.511 15.448 1.00 26.25 H new ATOM 0 HH TYR D 78 30.239 7.565 15.770 1.00 23.93 H new ATOM 2027 N LYS D 79 22.425 6.828 20.366 1.00 33.34 N ATOM 2028 CA LYS D 79 21.260 7.078 21.206 1.00 36.03 C ATOM 2029 C LYS D 79 21.156 6.034 22.312 1.00 37.82 C ATOM 2030 O LYS D 79 20.701 6.328 23.417 1.00 39.46 O ATOM 2031 CB LYS D 79 19.985 7.073 20.360 1.00 36.69 C ATOM 2032 CG LYS D 79 18.710 7.202 21.178 1.00 37.80 C ATOM 2033 CD LYS D 79 17.538 7.646 20.316 1.00 39.71 C ATOM 2034 CE LYS D 79 17.564 9.146 20.067 1.00 40.35 C ATOM 2035 NZ LYS D 79 16.690 9.882 21.022 1.00 43.20 N ATOM 0 H LYS D 79 22.208 6.647 19.386 1.00 33.34 H new ATOM 0 HA LYS D 79 21.377 8.059 21.667 1.00 36.03 H new ATOM 0 HB2 LYS D 79 20.031 7.893 19.644 1.00 36.69 H new ATOM 0 HB3 LYS D 79 19.945 6.148 19.784 1.00 36.69 H new ATOM 0 HG2 LYS D 79 18.478 6.245 21.645 1.00 37.80 H new ATOM 0 HG3 LYS D 79 18.864 7.921 21.983 1.00 37.80 H new ATOM 0 HD2 LYS D 79 17.566 7.118 19.363 1.00 39.71 H new ATOM 0 HD3 LYS D 79 16.602 7.374 20.804 1.00 39.71 H new ATOM 0 HE2 LYS D 79 18.587 9.511 20.156 1.00 40.35 H new ATOM 0 HE3 LYS D 79 17.240 9.350 19.047 1.00 40.35 H new ATOM 0 HZ1 LYS D 79 16.735 10.901 20.819 1.00 43.20 H new ATOM 0 HZ2 LYS D 79 15.709 9.552 20.920 1.00 43.20 H new ATOM 0 HZ3 LYS D 79 17.014 9.708 21.995 1.00 43.20 H new