USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 MET CE :methyl 143:sc= -5.98! (180deg=-9.57!) USER MOD Set 1.2: C 73 THR OG1 : rot 90:sc= -0.552 USER MOD Set 2.1: B 73 THR OG1 : rot 80:sc= 0.0539 USER MOD Set 2.2: D 62 GLN : amide:sc= -2.27! C(o=-2.2!,f=-5.9!) USER MOD Set 3.1: B 62 GLN : amide:sc= -2.12 K(o=-2.1,f=-5.6!) USER MOD Set 3.2: D 73 THR OG1 : rot 81:sc= 0.0604 USER MOD Set 4.1: A 73 THR OG1 : rot 88:sc= -0.811 USER MOD Set 4.2: C 69 MET CE :methyl 143:sc= -6.18! (180deg=-8.92!) USER MOD Single : A 62 GLN : amide:sc= -1.03 K(o=-1,f=-2.4!) USER MOD Single : A 63 SER OG : rot 89:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -102:sc= -3.69! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -151:sc= -0.145 (180deg=-0.552) USER MOD Single : A 81 THR OG1 : rot 81:sc= -0.794 USER MOD Single : B 63 SER OG : rot 87:sc= 0.66 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 164:sc= -4.15 (180deg=-5.59!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -1.04 K(o=-1,f=-2.5!) USER MOD Single : C 63 SER OG : rot 89:sc= 1.21 USER MOD Single : C 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 78 TYR OH : rot -103:sc= -3.75! USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 80 LYS NZ :NH3+ -165:sc= -0.197 (180deg=-0.528) USER MOD Single : C 81 THR OG1 : rot 86:sc= -0.833 USER MOD Single : D 63 SER OG : rot 87:sc= 0.66 USER MOD Single : D 67 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.144) USER MOD Single : D 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 MET CE :methyl 165:sc= -4.45! (180deg=-5.88!) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot 180:sc= 0 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 24.454 -12.667 -16.872 1.00 35.04 N ATOM 54 CA ALA A 55 24.290 -11.274 -16.481 1.00 34.04 C ATOM 55 C ALA A 55 23.617 -11.172 -15.118 1.00 31.45 C ATOM 56 O ALA A 55 24.059 -10.417 -14.250 1.00 30.88 O ATOM 57 CB ALA A 55 23.485 -10.522 -17.530 1.00 34.13 C ATOM 0 HA ALA A 55 25.278 -10.819 -16.408 1.00 34.04 H new ATOM 0 HB1 ALA A 55 23.370 -9.482 -17.224 1.00 34.13 H new ATOM 0 HB2 ALA A 55 24.005 -10.564 -18.487 1.00 34.13 H new ATOM 0 HB3 ALA A 55 22.501 -10.981 -17.632 1.00 34.13 H new ATOM 63 N GLU A 56 22.552 -11.944 -14.932 1.00 29.94 N ATOM 64 CA GLU A 56 21.822 -11.947 -13.670 1.00 27.51 C ATOM 65 C GLU A 56 22.708 -12.461 -12.542 1.00 27.95 C ATOM 66 O GLU A 56 22.846 -11.817 -11.503 1.00 28.19 O ATOM 67 CB GLU A 56 20.565 -12.811 -13.784 1.00 26.12 C ATOM 68 CG GLU A 56 19.379 -12.264 -13.006 1.00 24.96 C ATOM 69 CD GLU A 56 18.167 -13.171 -13.079 1.00 24.23 C ATOM 70 OE1 GLU A 56 18.303 -14.303 -13.589 1.00 24.08 O ATOM 71 OE2 GLU A 56 17.082 -12.750 -12.628 1.00 23.94 O ATOM 0 H GLU A 56 22.175 -12.575 -15.639 1.00 29.94 H new ATOM 0 HA GLU A 56 21.526 -10.923 -13.443 1.00 27.51 H new ATOM 0 HB2 GLU A 56 20.290 -12.900 -14.835 1.00 26.12 H new ATOM 0 HB3 GLU A 56 20.791 -13.816 -13.427 1.00 26.12 H new ATOM 0 HG2 GLU A 56 19.665 -12.128 -11.963 1.00 24.96 H new ATOM 0 HG3 GLU A 56 19.116 -11.280 -13.395 1.00 24.96 H new ATOM 78 N ARG A 57 23.313 -13.623 -12.760 1.00 28.25 N ATOM 79 CA ARG A 57 24.196 -14.223 -11.767 1.00 29.00 C ATOM 80 C ARG A 57 25.383 -13.308 -11.495 1.00 27.80 C ATOM 81 O ARG A 57 25.763 -13.087 -10.345 1.00 27.68 O ATOM 82 CB ARG A 57 24.690 -15.590 -12.246 1.00 30.98 C ATOM 83 CG ARG A 57 23.573 -16.594 -12.483 1.00 31.10 C ATOM 84 CD ARG A 57 23.929 -17.570 -13.591 1.00 33.35 C ATOM 85 NE ARG A 57 25.073 -18.406 -13.238 1.00 35.11 N ATOM 86 CZ ARG A 57 25.635 -19.275 -14.072 1.00 36.22 C ATOM 87 NH1 ARG A 57 25.159 -19.419 -15.302 1.00 35.81 N ATOM 88 NH2 ARG A 57 26.674 -19.999 -13.679 1.00 37.84 N ATOM 0 H ARG A 57 23.208 -14.168 -13.616 1.00 28.25 H new ATOM 0 HA ARG A 57 23.634 -14.358 -10.843 1.00 29.00 H new ATOM 0 HB2 ARG A 57 25.252 -15.460 -13.171 1.00 30.98 H new ATOM 0 HB3 ARG A 57 25.381 -15.996 -11.507 1.00 30.98 H new ATOM 0 HG2 ARG A 57 23.374 -17.143 -11.563 1.00 31.10 H new ATOM 0 HG3 ARG A 57 22.656 -16.065 -12.743 1.00 31.10 H new ATOM 0 HD2 ARG A 57 23.069 -18.204 -13.805 1.00 33.35 H new ATOM 0 HD3 ARG A 57 24.152 -17.017 -14.503 1.00 33.35 H new ATOM 0 HE ARG A 57 25.462 -18.318 -12.299 1.00 35.11 H new ATOM 0 HH11 ARG A 57 24.361 -18.862 -15.608 1.00 35.81 H new ATOM 0 HH12 ARG A 57 25.591 -20.086 -15.941 1.00 35.81 H new ATOM 0 HH21 ARG A 57 27.044 -19.890 -12.735 1.00 37.84 H new ATOM 0 HH22 ARG A 57 27.103 -20.665 -14.321 1.00 37.84 H new ATOM 102 N LEU A 58 25.958 -12.774 -12.565 1.00 27.11 N ATOM 103 CA LEU A 58 27.099 -11.874 -12.456 1.00 25.99 C ATOM 104 C LEU A 58 26.777 -10.717 -11.517 1.00 23.43 C ATOM 105 O LEU A 58 27.531 -10.433 -10.585 1.00 23.45 O ATOM 106 CB LEU A 58 27.484 -11.334 -13.835 1.00 26.57 C ATOM 107 CG LEU A 58 28.519 -12.168 -14.592 1.00 28.87 C ATOM 108 CD1 LEU A 58 28.908 -11.483 -15.893 1.00 28.52 C ATOM 109 CD2 LEU A 58 29.746 -12.406 -13.725 1.00 30.02 C ATOM 0 H LEU A 58 25.651 -12.950 -13.522 1.00 27.11 H new ATOM 0 HA LEU A 58 27.940 -12.434 -12.048 1.00 25.99 H new ATOM 0 HB2 LEU A 58 26.583 -11.261 -14.444 1.00 26.57 H new ATOM 0 HB3 LEU A 58 27.872 -10.322 -13.717 1.00 26.57 H new ATOM 0 HG LEU A 58 28.075 -13.134 -14.833 1.00 28.87 H new ATOM 0 HD11 LEU A 58 29.645 -12.091 -16.418 1.00 28.52 H new ATOM 0 HD12 LEU A 58 28.024 -11.363 -16.519 1.00 28.52 H new ATOM 0 HD13 LEU A 58 29.334 -10.504 -15.675 1.00 28.52 H new ATOM 0 HD21 LEU A 58 30.473 -13.001 -14.278 1.00 30.02 H new ATOM 0 HD22 LEU A 58 30.191 -11.449 -13.454 1.00 30.02 H new ATOM 0 HD23 LEU A 58 29.454 -12.939 -12.820 1.00 30.02 H new ATOM 121 N ALA A 59 25.651 -10.057 -11.766 1.00 21.26 N ATOM 122 CA ALA A 59 25.224 -8.935 -10.939 1.00 18.72 C ATOM 123 C ALA A 59 25.227 -9.321 -9.466 1.00 18.45 C ATOM 124 O ALA A 59 25.523 -8.500 -8.597 1.00 19.06 O ATOM 125 CB ALA A 59 23.843 -8.463 -11.366 1.00 17.56 C ATOM 0 H ALA A 59 25.018 -10.280 -12.534 1.00 21.26 H new ATOM 0 HA ALA A 59 25.929 -8.115 -11.076 1.00 18.72 H new ATOM 0 HB1 ALA A 59 23.536 -7.625 -10.741 1.00 17.56 H new ATOM 0 HB2 ALA A 59 23.873 -8.146 -12.409 1.00 17.56 H new ATOM 0 HB3 ALA A 59 23.129 -9.279 -11.255 1.00 17.56 H new ATOM 131 N ASP A 60 24.901 -10.581 -9.191 1.00 17.63 N ATOM 132 CA ASP A 60 24.872 -11.083 -7.823 1.00 17.34 C ATOM 133 C ASP A 60 26.285 -11.188 -7.263 1.00 17.52 C ATOM 134 O ASP A 60 26.499 -11.056 -6.057 1.00 16.98 O ATOM 135 CB ASP A 60 24.185 -12.450 -7.775 1.00 16.95 C ATOM 136 CG ASP A 60 23.055 -12.496 -6.764 1.00 16.73 C ATOM 137 OD1 ASP A 60 22.989 -11.588 -5.909 1.00 15.63 O ATOM 138 OD2 ASP A 60 22.240 -13.438 -6.829 1.00 17.90 O ATOM 0 H ASP A 60 24.653 -11.272 -9.899 1.00 17.63 H new ATOM 0 HA ASP A 60 24.306 -10.382 -7.210 1.00 17.34 H new ATOM 0 HB2 ASP A 60 23.794 -12.692 -8.763 1.00 16.95 H new ATOM 0 HB3 ASP A 60 24.921 -13.215 -7.528 1.00 16.95 H new ATOM 143 N GLU A 61 27.249 -11.425 -8.148 1.00 18.42 N ATOM 144 CA GLU A 61 28.645 -11.544 -7.746 1.00 18.70 C ATOM 145 C GLU A 61 29.235 -10.172 -7.443 1.00 19.21 C ATOM 146 O GLU A 61 29.887 -9.975 -6.417 1.00 19.53 O ATOM 147 CB GLU A 61 29.458 -12.234 -8.844 1.00 18.73 C ATOM 148 CG GLU A 61 30.466 -13.240 -8.313 1.00 19.73 C ATOM 149 CD GLU A 61 29.830 -14.568 -7.952 1.00 18.66 C ATOM 150 OE1 GLU A 61 29.024 -14.599 -6.998 1.00 16.83 O ATOM 151 OE2 GLU A 61 30.136 -15.575 -8.623 1.00 19.79 O ATOM 0 H GLU A 61 27.088 -11.538 -9.149 1.00 18.42 H new ATOM 0 HA GLU A 61 28.690 -12.149 -6.841 1.00 18.70 H new ATOM 0 HB2 GLU A 61 28.775 -12.741 -9.526 1.00 18.73 H new ATOM 0 HB3 GLU A 61 29.984 -11.477 -9.425 1.00 18.73 H new ATOM 0 HG2 GLU A 61 31.240 -13.404 -9.063 1.00 19.73 H new ATOM 0 HG3 GLU A 61 30.958 -12.826 -7.433 1.00 19.73 H new ATOM 158 N GLN A 62 28.993 -9.224 -8.341 1.00 19.35 N ATOM 159 CA GLN A 62 29.493 -7.867 -8.172 1.00 19.88 C ATOM 160 C GLN A 62 29.040 -7.291 -6.836 1.00 18.88 C ATOM 161 O GLN A 62 29.846 -6.764 -6.070 1.00 19.99 O ATOM 162 CB GLN A 62 29.008 -6.975 -9.317 1.00 19.39 C ATOM 163 CG GLN A 62 29.375 -7.501 -10.695 1.00 21.65 C ATOM 164 CD GLN A 62 30.828 -7.919 -10.792 1.00 22.19 C ATOM 165 OE1 GLN A 62 31.679 -7.425 -10.052 1.00 22.66 O ATOM 166 NE2 GLN A 62 31.122 -8.835 -11.708 1.00 22.12 N ATOM 0 H GLN A 62 28.453 -9.371 -9.194 1.00 19.35 H new ATOM 0 HA GLN A 62 30.582 -7.900 -8.186 1.00 19.88 H new ATOM 0 HB2 GLN A 62 27.925 -6.873 -9.253 1.00 19.39 H new ATOM 0 HB3 GLN A 62 29.430 -5.978 -9.194 1.00 19.39 H new ATOM 0 HG2 GLN A 62 28.739 -8.353 -10.936 1.00 21.65 H new ATOM 0 HG3 GLN A 62 29.172 -6.731 -11.439 1.00 21.65 H new ATOM 0 HE21 GLN A 62 30.386 -9.218 -12.301 1.00 22.12 H new ATOM 0 HE22 GLN A 62 32.084 -9.155 -11.819 1.00 22.12 H new ATOM 175 N SER A 63 27.744 -7.402 -6.560 1.00 16.93 N ATOM 176 CA SER A 63 27.184 -6.898 -5.313 1.00 16.11 C ATOM 177 C SER A 63 27.847 -7.572 -4.117 1.00 16.30 C ATOM 178 O SER A 63 28.083 -6.941 -3.087 1.00 14.90 O ATOM 179 CB SER A 63 25.672 -7.132 -5.273 1.00 16.74 C ATOM 180 OG SER A 63 25.101 -6.999 -6.564 1.00 17.73 O ATOM 0 H SER A 63 27.063 -7.836 -7.183 1.00 16.93 H new ATOM 0 HA SER A 63 27.376 -5.826 -5.261 1.00 16.11 H new ATOM 0 HB2 SER A 63 25.465 -8.128 -4.881 1.00 16.74 H new ATOM 0 HB3 SER A 63 25.208 -6.419 -4.592 1.00 16.74 H new ATOM 0 HG SER A 63 25.115 -7.867 -7.019 1.00 17.73 H new ATOM 186 N GLU A 64 28.151 -8.858 -4.266 1.00 18.24 N ATOM 187 CA GLU A 64 28.792 -9.619 -3.201 1.00 18.83 C ATOM 188 C GLU A 64 30.117 -8.975 -2.806 1.00 17.56 C ATOM 189 O GLU A 64 30.555 -9.081 -1.661 1.00 17.16 O ATOM 190 CB GLU A 64 29.024 -11.063 -3.645 1.00 21.21 C ATOM 191 CG GLU A 64 28.498 -12.094 -2.659 1.00 21.49 C ATOM 192 CD GLU A 64 28.573 -13.509 -3.199 1.00 24.16 C ATOM 193 OE1 GLU A 64 29.669 -13.919 -3.636 1.00 25.28 O ATOM 194 OE2 GLU A 64 27.537 -14.206 -3.184 1.00 25.26 O ATOM 0 H GLU A 64 27.964 -9.394 -5.114 1.00 18.24 H new ATOM 0 HA GLU A 64 28.131 -9.619 -2.334 1.00 18.83 H new ATOM 0 HB2 GLU A 64 28.545 -11.219 -4.611 1.00 21.21 H new ATOM 0 HB3 GLU A 64 30.092 -11.223 -3.790 1.00 21.21 H new ATOM 0 HG2 GLU A 64 29.071 -12.031 -1.734 1.00 21.49 H new ATOM 0 HG3 GLU A 64 27.463 -11.858 -2.410 1.00 21.49 H new ATOM 201 N LEU A 65 30.747 -8.301 -3.762 1.00 16.96 N ATOM 202 CA LEU A 65 32.015 -7.631 -3.510 1.00 15.81 C ATOM 203 C LEU A 65 31.782 -6.329 -2.754 1.00 14.02 C ATOM 204 O LEU A 65 32.606 -5.913 -1.939 1.00 14.14 O ATOM 205 CB LEU A 65 32.745 -7.351 -4.825 1.00 16.44 C ATOM 206 CG LEU A 65 33.123 -8.595 -5.632 1.00 17.79 C ATOM 207 CD1 LEU A 65 33.181 -8.269 -7.117 1.00 16.74 C ATOM 208 CD2 LEU A 65 34.454 -9.156 -5.155 1.00 19.93 C ATOM 0 H LEU A 65 30.400 -8.205 -4.716 1.00 16.96 H new ATOM 0 HA LEU A 65 32.636 -8.287 -2.900 1.00 15.81 H new ATOM 0 HB2 LEU A 65 32.115 -6.712 -5.444 1.00 16.44 H new ATOM 0 HB3 LEU A 65 33.653 -6.788 -4.607 1.00 16.44 H new ATOM 0 HG LEU A 65 32.356 -9.353 -5.476 1.00 17.79 H new ATOM 0 HD11 LEU A 65 33.451 -9.165 -7.676 1.00 16.74 H new ATOM 0 HD12 LEU A 65 32.206 -7.914 -7.450 1.00 16.74 H new ATOM 0 HD13 LEU A 65 33.928 -7.494 -7.291 1.00 16.74 H new ATOM 0 HD21 LEU A 65 34.707 -10.040 -5.740 1.00 19.93 H new ATOM 0 HD22 LEU A 65 35.232 -8.403 -5.281 1.00 19.93 H new ATOM 0 HD23 LEU A 65 34.378 -9.427 -4.102 1.00 19.93 H new ATOM 220 N VAL A 66 30.646 -5.695 -3.026 1.00 12.85 N ATOM 221 CA VAL A 66 30.291 -4.446 -2.372 1.00 11.40 C ATOM 222 C VAL A 66 29.758 -4.704 -0.967 1.00 9.14 C ATOM 223 O VAL A 66 30.079 -3.978 -0.027 1.00 9.03 O ATOM 224 CB VAL A 66 29.234 -3.667 -3.176 1.00 12.09 C ATOM 225 CG1 VAL A 66 28.952 -2.320 -2.528 1.00 11.14 C ATOM 226 CG2 VAL A 66 29.684 -3.489 -4.619 1.00 14.55 C ATOM 0 H VAL A 66 29.955 -6.029 -3.698 1.00 12.85 H new ATOM 0 HA VAL A 66 31.200 -3.847 -2.314 1.00 11.40 H new ATOM 0 HB VAL A 66 28.309 -4.243 -3.176 1.00 12.09 H new ATOM 0 HG11 VAL A 66 28.203 -1.785 -3.112 1.00 11.14 H new ATOM 0 HG12 VAL A 66 28.581 -2.474 -1.515 1.00 11.14 H new ATOM 0 HG13 VAL A 66 29.870 -1.734 -2.493 1.00 11.14 H new ATOM 0 HG21 VAL A 66 28.924 -2.936 -5.172 1.00 14.55 H new ATOM 0 HG22 VAL A 66 30.623 -2.936 -4.642 1.00 14.55 H new ATOM 0 HG23 VAL A 66 29.827 -4.467 -5.079 1.00 14.55 H new ATOM 236 N LYS A 67 28.944 -5.748 -0.832 1.00 7.98 N ATOM 237 CA LYS A 67 28.370 -6.103 0.460 1.00 5.93 C ATOM 238 C LYS A 67 29.472 -6.453 1.456 1.00 7.00 C ATOM 239 O LYS A 67 29.448 -6.012 2.604 1.00 7.45 O ATOM 240 CB LYS A 67 27.390 -7.276 0.308 1.00 5.84 C ATOM 241 CG LYS A 67 28.061 -8.634 0.177 1.00 7.48 C ATOM 242 CD LYS A 67 27.037 -9.757 0.134 1.00 6.62 C ATOM 243 CE LYS A 67 26.768 -10.320 1.519 1.00 5.97 C ATOM 244 NZ LYS A 67 26.256 -11.717 1.461 1.00 6.37 N ATOM 0 H LYS A 67 28.669 -6.360 -1.600 1.00 7.98 H new ATOM 0 HA LYS A 67 27.821 -5.242 0.842 1.00 5.93 H new ATOM 0 HB2 LYS A 67 26.725 -7.293 1.171 1.00 5.84 H new ATOM 0 HB3 LYS A 67 26.768 -7.104 -0.570 1.00 5.84 H new ATOM 0 HG2 LYS A 67 28.666 -8.657 -0.729 1.00 7.48 H new ATOM 0 HG3 LYS A 67 28.738 -8.789 1.017 1.00 7.48 H new ATOM 0 HD2 LYS A 67 26.107 -9.386 -0.296 1.00 6.62 H new ATOM 0 HD3 LYS A 67 27.395 -10.552 -0.520 1.00 6.62 H new ATOM 0 HE2 LYS A 67 27.686 -10.294 2.106 1.00 5.97 H new ATOM 0 HE3 LYS A 67 26.043 -9.689 2.033 1.00 5.97 H new ATOM 0 HZ1 LYS A 67 26.085 -12.064 2.426 1.00 6.37 H new ATOM 0 HZ2 LYS A 67 25.366 -11.739 0.923 1.00 6.37 H new ATOM 0 HZ3 LYS A 67 26.958 -12.325 0.994 1.00 6.37 H new ATOM 258 N LYS A 68 30.439 -7.245 1.003 1.00 8.28 N ATOM 259 CA LYS A 68 31.554 -7.648 1.852 1.00 10.03 C ATOM 260 C LYS A 68 32.360 -6.428 2.288 1.00 10.35 C ATOM 261 O LYS A 68 32.771 -6.323 3.443 1.00 12.18 O ATOM 262 CB LYS A 68 32.457 -8.639 1.114 1.00 12.33 C ATOM 263 CG LYS A 68 33.162 -8.043 -0.093 1.00 12.90 C ATOM 264 CD LYS A 68 34.164 -9.018 -0.689 1.00 13.16 C ATOM 265 CE LYS A 68 35.447 -8.315 -1.106 1.00 13.30 C ATOM 266 NZ LYS A 68 36.392 -8.161 0.035 1.00 14.53 N ATOM 0 H LYS A 68 30.473 -7.620 0.055 1.00 8.28 H new ATOM 0 HA LYS A 68 31.151 -8.136 2.739 1.00 10.03 H new ATOM 0 HB2 LYS A 68 33.205 -9.021 1.808 1.00 12.33 H new ATOM 0 HB3 LYS A 68 31.858 -9.490 0.790 1.00 12.33 H new ATOM 0 HG2 LYS A 68 32.425 -7.770 -0.848 1.00 12.90 H new ATOM 0 HG3 LYS A 68 33.674 -7.126 0.199 1.00 12.90 H new ATOM 0 HD2 LYS A 68 34.394 -9.795 0.040 1.00 13.16 H new ATOM 0 HD3 LYS A 68 33.722 -9.513 -1.554 1.00 13.16 H new ATOM 0 HE2 LYS A 68 35.929 -8.882 -1.903 1.00 13.30 H new ATOM 0 HE3 LYS A 68 35.207 -7.333 -1.514 1.00 13.30 H new ATOM 0 HZ1 LYS A 68 37.253 -7.678 -0.290 1.00 14.53 H new ATOM 0 HZ2 LYS A 68 35.942 -7.599 0.785 1.00 14.53 H new ATOM 0 HZ3 LYS A 68 36.642 -9.099 0.408 1.00 14.53 H new ATOM 280 N MET A 69 32.572 -5.504 1.356 1.00 8.63 N ATOM 281 CA MET A 69 33.317 -4.287 1.645 1.00 8.75 C ATOM 282 C MET A 69 32.591 -3.459 2.699 1.00 7.28 C ATOM 283 O MET A 69 33.214 -2.881 3.590 1.00 6.49 O ATOM 284 CB MET A 69 33.509 -3.464 0.369 1.00 8.73 C ATOM 285 CG MET A 69 34.234 -2.147 0.596 1.00 7.60 C ATOM 286 SD MET A 69 34.403 -1.179 -0.915 1.00 8.55 S ATOM 287 CE MET A 69 32.742 -1.285 -1.577 1.00 9.07 C ATOM 0 H MET A 69 32.238 -5.576 0.395 1.00 8.63 H new ATOM 0 HA MET A 69 34.297 -4.565 2.032 1.00 8.75 H new ATOM 0 HB2 MET A 69 34.068 -4.057 -0.355 1.00 8.73 H new ATOM 0 HB3 MET A 69 32.533 -3.260 -0.072 1.00 8.73 H new ATOM 0 HG2 MET A 69 33.692 -1.562 1.339 1.00 7.60 H new ATOM 0 HG3 MET A 69 35.223 -2.347 1.007 1.00 7.60 H new ATOM 0 HE1 MET A 69 32.475 -0.337 -2.043 1.00 9.07 H new ATOM 0 HE2 MET A 69 32.697 -2.080 -2.321 1.00 9.07 H new ATOM 0 HE3 MET A 69 32.042 -1.503 -0.770 1.00 9.07 H new ATOM 297 N VAL A 70 31.267 -3.415 2.592 1.00 7.68 N ATOM 298 CA VAL A 70 30.446 -2.670 3.535 1.00 7.91 C ATOM 299 C VAL A 70 30.416 -3.371 4.889 1.00 8.61 C ATOM 300 O VAL A 70 30.515 -2.728 5.933 1.00 8.60 O ATOM 301 CB VAL A 70 29.006 -2.493 3.001 1.00 8.02 C ATOM 302 CG1 VAL A 70 28.083 -1.903 4.062 1.00 9.03 C ATOM 303 CG2 VAL A 70 29.014 -1.618 1.760 1.00 5.84 C ATOM 0 H VAL A 70 30.740 -3.889 1.858 1.00 7.68 H new ATOM 0 HA VAL A 70 30.892 -1.683 3.656 1.00 7.91 H new ATOM 0 HB VAL A 70 28.621 -3.479 2.741 1.00 8.02 H new ATOM 0 HG11 VAL A 70 27.080 -1.793 3.651 1.00 9.03 H new ATOM 0 HG12 VAL A 70 28.050 -2.567 4.926 1.00 9.03 H new ATOM 0 HG13 VAL A 70 28.458 -0.927 4.369 1.00 9.03 H new ATOM 0 HG21 VAL A 70 27.995 -1.500 1.392 1.00 5.84 H new ATOM 0 HG22 VAL A 70 29.427 -0.640 2.007 1.00 5.84 H new ATOM 0 HG23 VAL A 70 29.626 -2.086 0.989 1.00 5.84 H new ATOM 313 N PHE A 71 30.286 -4.694 4.865 1.00 9.71 N ATOM 314 CA PHE A 71 30.252 -5.471 6.095 1.00 10.60 C ATOM 315 C PHE A 71 31.467 -5.149 6.958 1.00 10.46 C ATOM 316 O PHE A 71 31.331 -4.680 8.086 1.00 10.21 O ATOM 317 CB PHE A 71 30.209 -6.972 5.788 1.00 12.13 C ATOM 318 CG PHE A 71 30.383 -7.832 7.008 1.00 13.81 C ATOM 319 CD1 PHE A 71 29.415 -7.835 8.021 1.00 15.78 C ATOM 320 CD2 PHE A 71 31.524 -8.633 7.158 1.00 13.66 C ATOM 321 CE1 PHE A 71 29.579 -8.624 9.163 1.00 17.57 C ATOM 322 CE2 PHE A 71 31.694 -9.423 8.299 1.00 15.61 C ATOM 323 CZ PHE A 71 30.720 -9.418 9.302 1.00 17.54 C ATOM 0 H PHE A 71 30.203 -5.246 4.011 1.00 9.71 H new ATOM 0 HA PHE A 71 29.348 -5.204 6.642 1.00 10.60 H new ATOM 0 HB2 PHE A 71 29.257 -7.212 5.315 1.00 12.13 H new ATOM 0 HB3 PHE A 71 30.992 -7.211 5.068 1.00 12.13 H new ATOM 0 HD1 PHE A 71 28.533 -7.221 7.918 1.00 15.78 H new ATOM 0 HD2 PHE A 71 32.278 -8.640 6.385 1.00 13.66 H new ATOM 0 HE1 PHE A 71 28.825 -8.620 9.936 1.00 17.57 H new ATOM 0 HE2 PHE A 71 32.577 -10.036 8.405 1.00 15.61 H new ATOM 0 HZ PHE A 71 30.850 -10.028 10.184 1.00 17.54 H new ATOM 333 N ASP A 72 32.656 -5.397 6.416 1.00 10.77 N ATOM 334 CA ASP A 72 33.893 -5.127 7.138 1.00 10.71 C ATOM 335 C ASP A 72 33.901 -3.697 7.665 1.00 9.62 C ATOM 336 O ASP A 72 34.255 -3.451 8.818 1.00 10.35 O ATOM 337 CB ASP A 72 35.102 -5.358 6.230 1.00 11.18 C ATOM 338 CG ASP A 72 36.383 -5.564 7.014 1.00 12.32 C ATOM 339 OD1 ASP A 72 36.461 -5.077 8.162 1.00 14.09 O ATOM 340 OD2 ASP A 72 37.306 -6.214 6.480 1.00 11.69 O ATOM 0 H ASP A 72 32.788 -5.784 5.481 1.00 10.77 H new ATOM 0 HA ASP A 72 33.953 -5.812 7.984 1.00 10.71 H new ATOM 0 HB2 ASP A 72 34.920 -6.230 5.602 1.00 11.18 H new ATOM 0 HB3 ASP A 72 35.221 -4.504 5.563 1.00 11.18 H new ATOM 345 N THR A 73 33.501 -2.757 6.815 1.00 8.26 N ATOM 346 CA THR A 73 33.455 -1.353 7.198 1.00 7.23 C ATOM 347 C THR A 73 32.421 -1.137 8.297 1.00 8.40 C ATOM 348 O THR A 73 32.768 -0.870 9.447 1.00 9.07 O ATOM 349 CB THR A 73 33.126 -0.479 5.980 1.00 4.98 C ATOM 350 OG1 THR A 73 34.216 -0.453 5.076 1.00 3.27 O ATOM 351 CG2 THR A 73 32.789 0.957 6.333 1.00 4.83 C ATOM 0 H THR A 73 33.204 -2.943 5.857 1.00 8.26 H new ATOM 0 HA THR A 73 34.434 -1.065 7.580 1.00 7.23 H new ATOM 0 HB THR A 73 32.245 -0.937 5.531 1.00 4.98 H new ATOM 0 HG1 THR A 73 34.139 -1.202 4.449 1.00 3.27 H new ATOM 0 HG21 THR A 73 32.568 1.513 5.422 1.00 4.83 H new ATOM 0 HG22 THR A 73 31.919 0.976 6.990 1.00 4.83 H new ATOM 0 HG23 THR A 73 33.637 1.415 6.841 1.00 4.83 H new ATOM 359 N LEU A 74 31.146 -1.255 7.934 1.00 8.99 N ATOM 360 CA LEU A 74 30.061 -1.074 8.891 1.00 10.69 C ATOM 361 C LEU A 74 30.304 -1.891 10.153 1.00 11.52 C ATOM 362 O LEU A 74 29.965 -1.465 11.256 1.00 12.46 O ATOM 363 CB LEU A 74 28.725 -1.471 8.264 1.00 10.76 C ATOM 364 CG LEU A 74 28.179 -0.500 7.213 1.00 10.44 C ATOM 365 CD1 LEU A 74 26.701 -0.760 6.980 1.00 12.87 C ATOM 366 CD2 LEU A 74 28.406 0.945 7.639 1.00 9.17 C ATOM 0 H LEU A 74 30.841 -1.475 6.986 1.00 8.99 H new ATOM 0 HA LEU A 74 30.027 -0.019 9.164 1.00 10.69 H new ATOM 0 HB2 LEU A 74 28.836 -2.453 7.804 1.00 10.76 H new ATOM 0 HB3 LEU A 74 27.986 -1.573 9.059 1.00 10.76 H new ATOM 0 HG LEU A 74 28.717 -0.665 6.279 1.00 10.44 H new ATOM 0 HD11 LEU A 74 26.323 -0.064 6.231 1.00 12.87 H new ATOM 0 HD12 LEU A 74 26.562 -1.782 6.628 1.00 12.87 H new ATOM 0 HD13 LEU A 74 26.155 -0.620 7.913 1.00 12.87 H new ATOM 0 HD21 LEU A 74 28.010 1.616 6.877 1.00 9.17 H new ATOM 0 HD22 LEU A 74 27.897 1.130 8.585 1.00 9.17 H new ATOM 0 HD23 LEU A 74 29.474 1.125 7.761 1.00 9.17 H new ATOM 378 N LYS A 75 30.897 -3.064 9.983 1.00 11.42 N ATOM 379 CA LYS A 75 31.193 -3.939 11.110 1.00 12.42 C ATOM 380 C LYS A 75 32.008 -3.193 12.158 1.00 14.10 C ATOM 381 O LYS A 75 31.513 -2.877 13.240 1.00 16.02 O ATOM 382 CB LYS A 75 31.962 -5.172 10.636 1.00 10.66 C ATOM 383 CG LYS A 75 32.462 -6.053 11.768 1.00 11.53 C ATOM 384 CD LYS A 75 32.372 -7.527 11.408 1.00 10.56 C ATOM 385 CE LYS A 75 33.651 -8.266 11.764 1.00 9.76 C ATOM 386 NZ LYS A 75 33.682 -8.665 13.199 1.00 9.85 N ATOM 0 H LYS A 75 31.183 -3.432 9.076 1.00 11.42 H new ATOM 0 HA LYS A 75 30.251 -4.259 11.556 1.00 12.42 H new ATOM 0 HB2 LYS A 75 31.318 -5.763 9.985 1.00 10.66 H new ATOM 0 HB3 LYS A 75 32.813 -4.850 10.035 1.00 10.66 H new ATOM 0 HG2 LYS A 75 33.496 -5.797 12.001 1.00 11.53 H new ATOM 0 HG3 LYS A 75 31.876 -5.860 12.667 1.00 11.53 H new ATOM 0 HD2 LYS A 75 31.531 -7.980 11.933 1.00 10.56 H new ATOM 0 HD3 LYS A 75 32.176 -7.631 10.341 1.00 10.56 H new ATOM 0 HE2 LYS A 75 33.743 -9.154 11.138 1.00 9.76 H new ATOM 0 HE3 LYS A 75 34.510 -7.631 11.545 1.00 9.76 H new ATOM 0 HZ1 LYS A 75 34.571 -9.166 13.401 1.00 9.85 H new ATOM 0 HZ2 LYS A 75 33.620 -7.816 13.797 1.00 9.85 H new ATOM 0 HZ3 LYS A 75 32.877 -9.291 13.403 1.00 9.85 H new ATOM 400 N ASP A 76 33.260 -2.912 11.823 1.00 13.62 N ATOM 401 CA ASP A 76 34.156 -2.199 12.727 1.00 15.37 C ATOM 402 C ASP A 76 33.625 -0.800 13.031 1.00 16.62 C ATOM 403 O ASP A 76 33.939 -0.221 14.071 1.00 18.56 O ATOM 404 CB ASP A 76 35.554 -2.101 12.116 1.00 14.68 C ATOM 405 CG ASP A 76 36.412 -3.309 12.439 1.00 14.71 C ATOM 406 OD1 ASP A 76 37.049 -3.315 13.512 1.00 16.63 O ATOM 407 OD2 ASP A 76 36.447 -4.249 11.617 1.00 13.13 O ATOM 0 H ASP A 76 33.680 -3.167 10.929 1.00 13.62 H new ATOM 0 HA ASP A 76 34.210 -2.759 13.661 1.00 15.37 H new ATOM 0 HB2 ASP A 76 35.468 -1.998 11.034 1.00 14.68 H new ATOM 0 HB3 ASP A 76 36.046 -1.201 12.484 1.00 14.68 H new ATOM 412 N LEU A 77 32.822 -0.261 12.118 1.00 15.70 N ATOM 413 CA LEU A 77 32.256 1.069 12.290 1.00 16.99 C ATOM 414 C LEU A 77 31.172 1.067 13.366 1.00 19.75 C ATOM 415 O LEU A 77 31.128 1.956 14.216 1.00 21.43 O ATOM 416 CB LEU A 77 31.693 1.574 10.953 1.00 15.75 C ATOM 417 CG LEU A 77 30.670 2.712 11.040 1.00 16.35 C ATOM 418 CD1 LEU A 77 31.064 3.714 12.117 1.00 16.36 C ATOM 419 CD2 LEU A 77 30.531 3.404 9.693 1.00 17.35 C ATOM 0 H LEU A 77 32.550 -0.727 11.252 1.00 15.70 H new ATOM 0 HA LEU A 77 33.047 1.744 12.617 1.00 16.99 H new ATOM 0 HB2 LEU A 77 32.526 1.908 10.334 1.00 15.75 H new ATOM 0 HB3 LEU A 77 31.229 0.734 10.437 1.00 15.75 H new ATOM 0 HG LEU A 77 29.705 2.284 11.312 1.00 16.35 H new ATOM 0 HD11 LEU A 77 30.323 4.512 12.160 1.00 16.36 H new ATOM 0 HD12 LEU A 77 31.111 3.211 13.083 1.00 16.36 H new ATOM 0 HD13 LEU A 77 32.040 4.137 11.880 1.00 16.36 H new ATOM 0 HD21 LEU A 77 29.801 4.210 9.771 1.00 17.35 H new ATOM 0 HD22 LEU A 77 31.495 3.816 9.394 1.00 17.35 H new ATOM 0 HD23 LEU A 77 30.197 2.683 8.946 1.00 17.35 H new ATOM 431 N TYR A 78 30.302 0.063 13.328 1.00 20.25 N ATOM 432 CA TYR A 78 29.227 -0.050 14.306 1.00 22.86 C ATOM 433 C TYR A 78 29.775 -0.470 15.666 1.00 23.59 C ATOM 434 O TYR A 78 29.166 -0.203 16.702 1.00 24.41 O ATOM 435 CB TYR A 78 28.171 -1.053 13.833 1.00 24.44 C ATOM 436 CG TYR A 78 27.345 -0.564 12.663 1.00 25.04 C ATOM 437 CD1 TYR A 78 26.983 0.790 12.545 1.00 25.79 C ATOM 438 CD2 TYR A 78 26.918 -1.456 11.662 1.00 25.08 C ATOM 439 CE1 TYR A 78 26.220 1.241 11.464 1.00 26.62 C ATOM 440 CE2 TYR A 78 26.155 -1.011 10.579 1.00 25.67 C ATOM 441 CZ TYR A 78 25.809 0.336 10.485 1.00 26.48 C ATOM 442 OH TYR A 78 25.059 0.777 9.419 1.00 27.33 O ATOM 0 H TYR A 78 30.320 -0.682 12.632 1.00 20.25 H new ATOM 0 HA TYR A 78 28.759 0.929 14.407 1.00 22.86 H new ATOM 0 HB2 TYR A 78 28.666 -1.983 13.553 1.00 24.44 H new ATOM 0 HB3 TYR A 78 27.505 -1.285 14.664 1.00 24.44 H new ATOM 0 HD1 TYR A 78 27.300 1.493 13.302 1.00 25.79 H new ATOM 0 HD2 TYR A 78 27.184 -2.500 11.732 1.00 25.08 H new ATOM 0 HE1 TYR A 78 25.950 2.284 11.387 1.00 26.62 H new ATOM 0 HE2 TYR A 78 25.835 -1.708 9.818 1.00 25.67 H new ATOM 0 HH TYR A 78 24.118 0.542 9.561 1.00 27.33 H new ATOM 452 N LYS A 79 30.933 -1.123 15.656 1.00 23.38 N ATOM 453 CA LYS A 79 31.565 -1.568 16.890 1.00 24.09 C ATOM 454 C LYS A 79 32.191 -0.386 17.621 1.00 24.52 C ATOM 455 O LYS A 79 32.266 -0.369 18.849 1.00 24.43 O ATOM 456 CB LYS A 79 32.630 -2.626 16.594 1.00 22.05 C ATOM 457 CG LYS A 79 32.251 -4.020 17.067 1.00 23.27 C ATOM 458 CD LYS A 79 33.463 -4.786 17.575 1.00 23.35 C ATOM 459 CE LYS A 79 33.361 -6.268 17.254 1.00 22.69 C ATOM 460 NZ LYS A 79 34.332 -7.077 18.041 1.00 23.10 N ATOM 0 H LYS A 79 31.451 -1.355 14.808 1.00 23.38 H new ATOM 0 HA LYS A 79 30.800 -2.011 17.528 1.00 24.09 H new ATOM 0 HB2 LYS A 79 32.814 -2.653 15.520 1.00 22.05 H new ATOM 0 HB3 LYS A 79 33.565 -2.331 17.070 1.00 22.05 H new ATOM 0 HG2 LYS A 79 31.507 -3.946 17.860 1.00 23.27 H new ATOM 0 HG3 LYS A 79 31.789 -4.570 16.247 1.00 23.27 H new ATOM 0 HD2 LYS A 79 34.368 -4.377 17.125 1.00 23.35 H new ATOM 0 HD3 LYS A 79 33.554 -4.652 18.653 1.00 23.35 H new ATOM 0 HE2 LYS A 79 32.349 -6.615 17.461 1.00 22.69 H new ATOM 0 HE3 LYS A 79 33.540 -6.422 16.190 1.00 22.69 H new ATOM 0 HZ1 LYS A 79 34.229 -8.081 17.792 1.00 23.10 H new ATOM 0 HZ2 LYS A 79 35.300 -6.764 17.825 1.00 23.10 H new ATOM 0 HZ3 LYS A 79 34.146 -6.951 19.056 1.00 23.10 H new ATOM 474 N LYS A 80 32.637 0.604 16.852 1.00 25.14 N ATOM 475 CA LYS A 80 33.253 1.794 17.419 1.00 25.93 C ATOM 476 C LYS A 80 32.211 2.664 18.115 1.00 28.56 C ATOM 477 O LYS A 80 32.502 3.318 19.116 1.00 29.70 O ATOM 478 CB LYS A 80 33.956 2.597 16.322 1.00 25.50 C ATOM 479 CG LYS A 80 35.125 3.423 16.829 1.00 25.15 C ATOM 480 CD LYS A 80 36.260 3.459 15.818 1.00 24.54 C ATOM 481 CE LYS A 80 37.402 4.340 16.297 1.00 25.66 C ATOM 482 NZ LYS A 80 36.915 5.651 16.808 1.00 28.13 N ATOM 0 H LYS A 80 32.582 0.603 15.833 1.00 25.14 H new ATOM 0 HA LYS A 80 33.989 1.479 18.159 1.00 25.93 H new ATOM 0 HB2 LYS A 80 34.312 1.912 15.553 1.00 25.50 H new ATOM 0 HB3 LYS A 80 33.232 3.260 15.848 1.00 25.50 H new ATOM 0 HG2 LYS A 80 34.790 4.439 17.039 1.00 25.15 H new ATOM 0 HG3 LYS A 80 35.486 3.006 17.769 1.00 25.15 H new ATOM 0 HD2 LYS A 80 36.627 2.447 15.645 1.00 24.54 H new ATOM 0 HD3 LYS A 80 35.887 3.831 14.864 1.00 24.54 H new ATOM 0 HE2 LYS A 80 37.952 3.825 17.085 1.00 25.66 H new ATOM 0 HE3 LYS A 80 38.101 4.507 15.477 1.00 25.66 H new ATOM 0 HZ1 LYS A 80 37.649 6.374 16.664 1.00 28.13 H new ATOM 0 HZ2 LYS A 80 36.053 5.925 16.295 1.00 28.13 H new ATOM 0 HZ3 LYS A 80 36.702 5.571 17.823 1.00 28.13 H new ATOM 496 N THR A 81 30.994 2.663 17.579 1.00 29.61 N ATOM 497 CA THR A 81 29.905 3.449 18.148 1.00 32.17 C ATOM 498 C THR A 81 29.695 3.103 19.617 1.00 33.24 C ATOM 499 O THR A 81 30.097 3.851 20.508 1.00 32.61 O ATOM 500 CB THR A 81 28.613 3.211 17.366 1.00 32.76 C ATOM 501 OG1 THR A 81 28.784 2.175 16.416 1.00 30.68 O ATOM 502 CG2 THR A 81 28.127 4.438 16.625 1.00 33.71 C ATOM 0 H THR A 81 30.737 2.126 16.751 1.00 29.61 H new ATOM 0 HA THR A 81 30.175 4.503 18.077 1.00 32.17 H new ATOM 0 HB THR A 81 27.869 2.940 18.115 1.00 32.76 H new ATOM 0 HG1 THR A 81 28.697 1.306 16.861 1.00 30.68 H new ATOM 0 HG21 THR A 81 27.207 4.200 16.091 1.00 33.71 H new ATOM 0 HG22 THR A 81 27.936 5.241 17.337 1.00 33.71 H new ATOM 0 HG23 THR A 81 28.887 4.758 15.912 1.00 33.71 H new ATOM 566 N ASP B 54 25.174 -6.095 18.823 1.00 32.75 N ATOM 567 CA ASP B 54 24.243 -5.618 17.807 1.00 30.85 C ATOM 568 C ASP B 54 24.982 -4.937 16.658 1.00 29.37 C ATOM 569 O ASP B 54 24.454 -4.823 15.552 1.00 28.47 O ATOM 570 CB ASP B 54 23.236 -4.646 18.426 1.00 31.09 C ATOM 571 CG ASP B 54 21.835 -5.224 18.483 1.00 30.42 C ATOM 572 OD1 ASP B 54 21.661 -6.299 19.094 1.00 30.95 O ATOM 573 OD2 ASP B 54 20.912 -4.601 17.917 1.00 29.51 O ATOM 0 HA ASP B 54 23.711 -6.482 17.408 1.00 30.85 H new ATOM 0 HB2 ASP B 54 23.560 -4.385 19.433 1.00 31.09 H new ATOM 0 HB3 ASP B 54 23.222 -3.723 17.846 1.00 31.09 H new ATOM 578 N ALA B 55 26.203 -4.484 16.926 1.00 29.28 N ATOM 579 CA ALA B 55 27.009 -3.815 15.910 1.00 28.04 C ATOM 580 C ALA B 55 27.233 -4.718 14.702 1.00 27.04 C ATOM 581 O ALA B 55 27.080 -4.288 13.558 1.00 25.55 O ATOM 582 CB ALA B 55 28.341 -3.377 16.500 1.00 28.87 C ATOM 0 H ALA B 55 26.655 -4.568 17.836 1.00 29.28 H new ATOM 0 HA ALA B 55 26.465 -2.933 15.572 1.00 28.04 H new ATOM 0 HB1 ALA B 55 28.933 -2.879 15.732 1.00 28.87 H new ATOM 0 HB2 ALA B 55 28.164 -2.688 17.326 1.00 28.87 H new ATOM 0 HB3 ALA B 55 28.882 -4.250 16.866 1.00 28.87 H new ATOM 588 N GLU B 56 27.598 -5.969 14.963 1.00 27.97 N ATOM 589 CA GLU B 56 27.846 -6.931 13.896 1.00 27.24 C ATOM 590 C GLU B 56 26.560 -7.251 13.139 1.00 26.49 C ATOM 591 O GLU B 56 26.492 -7.100 11.919 1.00 26.95 O ATOM 592 CB GLU B 56 28.444 -8.217 14.470 1.00 28.62 C ATOM 593 CG GLU B 56 29.224 -9.033 13.453 1.00 30.55 C ATOM 594 CD GLU B 56 28.685 -10.442 13.300 1.00 31.12 C ATOM 595 OE1 GLU B 56 27.537 -10.592 12.832 1.00 29.51 O ATOM 596 OE2 GLU B 56 29.412 -11.397 13.649 1.00 33.30 O ATOM 0 H GLU B 56 27.729 -6.340 15.904 1.00 27.97 H new ATOM 0 HA GLU B 56 28.556 -6.486 13.199 1.00 27.24 H new ATOM 0 HB2 GLU B 56 29.102 -7.962 15.301 1.00 28.62 H new ATOM 0 HB3 GLU B 56 27.641 -8.831 14.877 1.00 28.62 H new ATOM 0 HG2 GLU B 56 29.193 -8.529 12.487 1.00 30.55 H new ATOM 0 HG3 GLU B 56 30.270 -9.079 13.755 1.00 30.55 H new ATOM 603 N ARG B 57 25.543 -7.694 13.871 1.00 25.59 N ATOM 604 CA ARG B 57 24.259 -8.037 13.268 1.00 25.17 C ATOM 605 C ARG B 57 23.764 -6.917 12.359 1.00 23.76 C ATOM 606 O ARG B 57 23.092 -7.168 11.358 1.00 23.99 O ATOM 607 CB ARG B 57 23.223 -8.318 14.358 1.00 24.62 C ATOM 608 CG ARG B 57 23.628 -9.432 15.310 1.00 24.70 C ATOM 609 CD ARG B 57 22.987 -10.755 14.922 1.00 24.70 C ATOM 610 NE ARG B 57 23.302 -11.817 15.874 1.00 25.62 N ATOM 611 CZ ARG B 57 22.932 -13.083 15.712 1.00 25.07 C ATOM 612 NH1 ARG B 57 22.237 -13.442 14.642 1.00 23.64 N ATOM 613 NH2 ARG B 57 23.256 -13.992 16.622 1.00 26.06 N ATOM 0 H ARG B 57 25.582 -7.824 14.882 1.00 25.59 H new ATOM 0 HA ARG B 57 24.398 -8.933 12.664 1.00 25.17 H new ATOM 0 HB2 ARG B 57 23.054 -7.406 14.930 1.00 24.62 H new ATOM 0 HB3 ARG B 57 22.275 -8.580 13.888 1.00 24.62 H new ATOM 0 HG2 ARG B 57 24.713 -9.537 15.308 1.00 24.70 H new ATOM 0 HG3 ARG B 57 23.335 -9.168 16.326 1.00 24.70 H new ATOM 0 HD2 ARG B 57 21.906 -10.630 14.863 1.00 24.70 H new ATOM 0 HD3 ARG B 57 23.329 -11.046 13.929 1.00 24.70 H new ATOM 0 HE ARG B 57 23.835 -11.574 16.709 1.00 25.62 H new ATOM 0 HH11 ARG B 57 21.985 -12.746 13.940 1.00 23.64 H new ATOM 0 HH12 ARG B 57 21.954 -14.414 14.520 1.00 23.64 H new ATOM 0 HH21 ARG B 57 23.790 -13.720 17.447 1.00 26.06 H new ATOM 0 HH22 ARG B 57 22.971 -14.963 16.496 1.00 26.06 H new ATOM 627 N LEU B 58 24.101 -5.681 12.712 1.00 22.42 N ATOM 628 CA LEU B 58 23.690 -4.523 11.928 1.00 21.18 C ATOM 629 C LEU B 58 24.416 -4.479 10.591 1.00 19.58 C ATOM 630 O LEU B 58 23.791 -4.520 9.531 1.00 17.52 O ATOM 631 CB LEU B 58 23.957 -3.233 12.705 1.00 21.44 C ATOM 632 CG LEU B 58 22.937 -2.913 13.798 1.00 20.65 C ATOM 633 CD1 LEU B 58 23.536 -1.963 14.821 1.00 19.93 C ATOM 634 CD2 LEU B 58 21.676 -2.317 13.189 1.00 20.05 C ATOM 0 H LEU B 58 24.658 -5.456 13.536 1.00 22.42 H new ATOM 0 HA LEU B 58 22.621 -4.612 11.736 1.00 21.18 H new ATOM 0 HB2 LEU B 58 24.945 -3.299 13.160 1.00 21.44 H new ATOM 0 HB3 LEU B 58 23.985 -2.402 12.001 1.00 21.44 H new ATOM 0 HG LEU B 58 22.670 -3.840 14.305 1.00 20.65 H new ATOM 0 HD11 LEU B 58 22.797 -1.745 15.592 1.00 19.93 H new ATOM 0 HD12 LEU B 58 24.411 -2.425 15.278 1.00 19.93 H new ATOM 0 HD13 LEU B 58 23.830 -1.036 14.328 1.00 19.93 H new ATOM 0 HD21 LEU B 58 20.960 -2.095 13.980 1.00 20.05 H new ATOM 0 HD22 LEU B 58 21.927 -1.399 12.658 1.00 20.05 H new ATOM 0 HD23 LEU B 58 21.237 -3.030 12.492 1.00 20.05 H new ATOM 646 N ALA B 59 25.742 -4.394 10.650 1.00 20.67 N ATOM 647 CA ALA B 59 26.571 -4.340 9.448 1.00 19.49 C ATOM 648 C ALA B 59 26.116 -5.362 8.414 1.00 18.75 C ATOM 649 O ALA B 59 26.279 -5.159 7.212 1.00 18.83 O ATOM 650 CB ALA B 59 28.031 -4.568 9.809 1.00 19.52 C ATOM 0 H ALA B 59 26.269 -4.361 11.523 1.00 20.67 H new ATOM 0 HA ALA B 59 26.463 -3.349 9.008 1.00 19.49 H new ATOM 0 HB1 ALA B 59 28.640 -4.526 8.906 1.00 19.52 H new ATOM 0 HB2 ALA B 59 28.359 -3.795 10.504 1.00 19.52 H new ATOM 0 HB3 ALA B 59 28.142 -5.547 10.276 1.00 19.52 H new ATOM 656 N ASP B 60 25.541 -6.459 8.891 1.00 18.24 N ATOM 657 CA ASP B 60 25.057 -7.511 8.007 1.00 17.49 C ATOM 658 C ASP B 60 23.774 -7.079 7.305 1.00 14.50 C ATOM 659 O ASP B 60 23.626 -7.258 6.096 1.00 13.51 O ATOM 660 CB ASP B 60 24.815 -8.799 8.795 1.00 18.86 C ATOM 661 CG ASP B 60 24.995 -10.041 7.943 1.00 20.40 C ATOM 662 OD1 ASP B 60 24.836 -9.941 6.708 1.00 19.98 O ATOM 663 OD2 ASP B 60 25.293 -11.113 8.510 1.00 22.10 O ATOM 0 H ASP B 60 25.399 -6.643 9.884 1.00 18.24 H new ATOM 0 HA ASP B 60 25.820 -7.697 7.251 1.00 17.49 H new ATOM 0 HB2 ASP B 60 25.502 -8.839 9.640 1.00 18.86 H new ATOM 0 HB3 ASP B 60 23.805 -8.786 9.205 1.00 18.86 H new ATOM 668 N GLU B 61 22.850 -6.506 8.069 1.00 13.25 N ATOM 669 CA GLU B 61 21.583 -6.046 7.518 1.00 10.41 C ATOM 670 C GLU B 61 21.811 -4.959 6.471 1.00 9.02 C ATOM 671 O GLU B 61 21.071 -4.860 5.493 1.00 7.35 O ATOM 672 CB GLU B 61 20.675 -5.518 8.631 1.00 10.30 C ATOM 673 CG GLU B 61 19.924 -6.610 9.374 1.00 12.16 C ATOM 674 CD GLU B 61 18.651 -7.030 8.666 1.00 12.02 C ATOM 675 OE1 GLU B 61 17.611 -6.371 8.875 1.00 12.98 O ATOM 676 OE2 GLU B 61 18.694 -8.018 7.903 1.00 11.20 O ATOM 0 H GLU B 61 22.956 -6.350 9.071 1.00 13.25 H new ATOM 0 HA GLU B 61 21.095 -6.894 7.038 1.00 10.41 H new ATOM 0 HB2 GLU B 61 21.278 -4.954 9.343 1.00 10.30 H new ATOM 0 HB3 GLU B 61 19.955 -4.822 8.201 1.00 10.30 H new ATOM 0 HG2 GLU B 61 20.574 -7.478 9.490 1.00 12.16 H new ATOM 0 HG3 GLU B 61 19.679 -6.259 10.376 1.00 12.16 H new ATOM 683 N GLN B 62 22.844 -4.148 6.682 1.00 10.03 N ATOM 684 CA GLN B 62 23.172 -3.071 5.755 1.00 9.24 C ATOM 685 C GLN B 62 23.729 -3.632 4.450 1.00 10.28 C ATOM 686 O GLN B 62 23.274 -3.269 3.365 1.00 10.43 O ATOM 687 CB GLN B 62 24.186 -2.113 6.383 1.00 8.58 C ATOM 688 CG GLN B 62 23.996 -1.907 7.878 1.00 8.60 C ATOM 689 CD GLN B 62 22.542 -1.723 8.265 1.00 6.06 C ATOM 690 OE1 GLN B 62 21.676 -1.547 7.407 1.00 4.17 O ATOM 691 NE2 GLN B 62 22.266 -1.762 9.564 1.00 6.73 N ATOM 0 H GLN B 62 23.467 -4.217 7.486 1.00 10.03 H new ATOM 0 HA GLN B 62 22.255 -2.523 5.537 1.00 9.24 H new ATOM 0 HB2 GLN B 62 25.191 -2.495 6.204 1.00 8.58 H new ATOM 0 HB3 GLN B 62 24.118 -1.148 5.882 1.00 8.58 H new ATOM 0 HG2 GLN B 62 24.404 -2.764 8.413 1.00 8.60 H new ATOM 0 HG3 GLN B 62 24.565 -1.033 8.195 1.00 8.60 H new ATOM 0 HE21 GLN B 62 23.015 -1.910 10.240 1.00 6.73 H new ATOM 0 HE22 GLN B 62 21.305 -1.644 9.885 1.00 6.73 H new ATOM 700 N SER B 63 24.712 -4.520 4.563 1.00 11.39 N ATOM 701 CA SER B 63 25.326 -5.131 3.389 1.00 12.73 C ATOM 702 C SER B 63 24.259 -5.714 2.470 1.00 11.83 C ATOM 703 O SER B 63 24.160 -5.340 1.301 1.00 10.89 O ATOM 704 CB SER B 63 26.309 -6.224 3.808 1.00 15.65 C ATOM 705 OG SER B 63 26.983 -5.875 5.004 1.00 16.19 O ATOM 0 H SER B 63 25.100 -4.832 5.453 1.00 11.39 H new ATOM 0 HA SER B 63 25.870 -4.358 2.847 1.00 12.73 H new ATOM 0 HB2 SER B 63 25.774 -7.163 3.950 1.00 15.65 H new ATOM 0 HB3 SER B 63 27.036 -6.388 3.012 1.00 15.65 H new ATOM 0 HG SER B 63 26.447 -6.154 5.775 1.00 16.19 H new ATOM 711 N GLU B 64 23.459 -6.629 3.009 1.00 12.56 N ATOM 712 CA GLU B 64 22.397 -7.258 2.242 1.00 12.86 C ATOM 713 C GLU B 64 21.515 -6.203 1.584 1.00 10.51 C ATOM 714 O GLU B 64 21.000 -6.406 0.485 1.00 10.46 O ATOM 715 CB GLU B 64 21.557 -8.153 3.152 1.00 14.05 C ATOM 716 CG GLU B 64 20.795 -7.387 4.221 1.00 12.50 C ATOM 717 CD GLU B 64 19.716 -8.225 4.881 1.00 14.03 C ATOM 718 OE1 GLU B 64 20.036 -9.331 5.365 1.00 16.14 O ATOM 719 OE2 GLU B 64 18.552 -7.773 4.915 1.00 13.13 O ATOM 0 H GLU B 64 23.529 -6.949 3.975 1.00 12.56 H new ATOM 0 HA GLU B 64 22.847 -7.868 1.459 1.00 12.86 H new ATOM 0 HB2 GLU B 64 20.848 -8.713 2.543 1.00 14.05 H new ATOM 0 HB3 GLU B 64 22.209 -8.882 3.634 1.00 14.05 H new ATOM 0 HG2 GLU B 64 21.494 -7.038 4.981 1.00 12.50 H new ATOM 0 HG3 GLU B 64 20.341 -6.502 3.775 1.00 12.50 H new ATOM 726 N LEU B 65 21.351 -5.074 2.265 1.00 9.18 N ATOM 727 CA LEU B 65 20.538 -3.984 1.750 1.00 7.29 C ATOM 728 C LEU B 65 21.216 -3.328 0.551 1.00 5.45 C ATOM 729 O LEU B 65 20.580 -3.068 -0.470 1.00 4.58 O ATOM 730 CB LEU B 65 20.287 -2.943 2.844 1.00 7.48 C ATOM 731 CG LEU B 65 18.813 -2.666 3.147 1.00 9.21 C ATOM 732 CD1 LEU B 65 18.637 -2.239 4.597 1.00 9.76 C ATOM 733 CD2 LEU B 65 18.268 -1.602 2.207 1.00 8.71 C ATOM 0 H LEU B 65 21.772 -4.892 3.176 1.00 9.18 H new ATOM 0 HA LEU B 65 19.581 -4.395 1.428 1.00 7.29 H new ATOM 0 HB2 LEU B 65 20.774 -3.276 3.760 1.00 7.48 H new ATOM 0 HB3 LEU B 65 20.764 -2.008 2.551 1.00 7.48 H new ATOM 0 HG LEU B 65 18.250 -3.586 2.990 1.00 9.21 H new ATOM 0 HD11 LEU B 65 17.582 -2.046 4.794 1.00 9.76 H new ATOM 0 HD12 LEU B 65 18.990 -3.033 5.255 1.00 9.76 H new ATOM 0 HD13 LEU B 65 19.212 -1.332 4.782 1.00 9.76 H new ATOM 0 HD21 LEU B 65 17.219 -1.417 2.436 1.00 8.71 H new ATOM 0 HD22 LEU B 65 18.835 -0.680 2.334 1.00 8.71 H new ATOM 0 HD23 LEU B 65 18.359 -1.946 1.177 1.00 8.71 H new ATOM 745 N VAL B 66 22.514 -3.066 0.682 1.00 5.46 N ATOM 746 CA VAL B 66 23.278 -2.445 -0.391 1.00 5.40 C ATOM 747 C VAL B 66 23.325 -3.345 -1.621 1.00 5.50 C ATOM 748 O VAL B 66 23.336 -2.864 -2.755 1.00 5.66 O ATOM 749 CB VAL B 66 24.718 -2.129 0.053 1.00 6.43 C ATOM 750 CG1 VAL B 66 25.426 -1.277 -0.990 1.00 7.52 C ATOM 751 CG2 VAL B 66 24.717 -1.437 1.407 1.00 6.51 C ATOM 0 H VAL B 66 23.056 -3.275 1.520 1.00 5.46 H new ATOM 0 HA VAL B 66 22.771 -1.513 -0.642 1.00 5.40 H new ATOM 0 HB VAL B 66 25.263 -3.068 0.150 1.00 6.43 H new ATOM 0 HG11 VAL B 66 26.442 -1.065 -0.658 1.00 7.52 H new ATOM 0 HG12 VAL B 66 25.459 -1.815 -1.938 1.00 7.52 H new ATOM 0 HG13 VAL B 66 24.885 -0.340 -1.123 1.00 7.52 H new ATOM 0 HG21 VAL B 66 25.743 -1.221 1.706 1.00 6.51 H new ATOM 0 HG22 VAL B 66 24.155 -0.506 1.339 1.00 6.51 H new ATOM 0 HG23 VAL B 66 24.253 -2.088 2.148 1.00 6.51 H new ATOM 761 N LYS B 67 23.353 -4.653 -1.390 1.00 5.88 N ATOM 762 CA LYS B 67 23.397 -5.620 -2.479 1.00 6.10 C ATOM 763 C LYS B 67 22.156 -5.504 -3.357 1.00 6.04 C ATOM 764 O LYS B 67 22.257 -5.304 -4.567 1.00 5.74 O ATOM 765 CB LYS B 67 23.513 -7.041 -1.923 1.00 5.92 C ATOM 766 CG LYS B 67 23.673 -8.103 -2.998 1.00 8.36 C ATOM 767 CD LYS B 67 22.616 -9.190 -2.873 1.00 8.45 C ATOM 768 CE LYS B 67 23.236 -10.533 -2.526 1.00 8.34 C ATOM 769 NZ LYS B 67 23.419 -10.696 -1.057 1.00 6.05 N ATOM 0 H LYS B 67 23.346 -5.067 -0.458 1.00 5.88 H new ATOM 0 HA LYS B 67 24.274 -5.405 -3.089 1.00 6.10 H new ATOM 0 HB2 LYS B 67 24.366 -7.089 -1.247 1.00 5.92 H new ATOM 0 HB3 LYS B 67 22.625 -7.265 -1.332 1.00 5.92 H new ATOM 0 HG2 LYS B 67 23.604 -7.639 -3.982 1.00 8.36 H new ATOM 0 HG3 LYS B 67 24.665 -8.549 -2.925 1.00 8.36 H new ATOM 0 HD2 LYS B 67 21.895 -8.911 -2.104 1.00 8.45 H new ATOM 0 HD3 LYS B 67 22.066 -9.273 -3.810 1.00 8.45 H new ATOM 0 HE2 LYS B 67 22.601 -11.335 -2.904 1.00 8.34 H new ATOM 0 HE3 LYS B 67 24.200 -10.628 -3.025 1.00 8.34 H new ATOM 0 HZ1 LYS B 67 23.844 -11.625 -0.861 1.00 6.05 H new ATOM 0 HZ2 LYS B 67 24.045 -9.946 -0.700 1.00 6.05 H new ATOM 0 HZ3 LYS B 67 22.496 -10.631 -0.583 1.00 6.05 H new ATOM 783 N LYS B 68 20.987 -5.629 -2.740 1.00 7.04 N ATOM 784 CA LYS B 68 19.726 -5.534 -3.464 1.00 7.77 C ATOM 785 C LYS B 68 19.657 -4.234 -4.260 1.00 8.54 C ATOM 786 O LYS B 68 19.102 -4.195 -5.357 1.00 9.38 O ATOM 787 CB LYS B 68 18.548 -5.615 -2.492 1.00 7.42 C ATOM 788 CG LYS B 68 17.586 -6.752 -2.795 1.00 9.11 C ATOM 789 CD LYS B 68 17.291 -7.578 -1.553 1.00 10.23 C ATOM 790 CE LYS B 68 15.853 -8.072 -1.541 1.00 10.39 C ATOM 791 NZ LYS B 68 15.543 -8.842 -0.304 1.00 11.73 N ATOM 0 H LYS B 68 20.887 -5.797 -1.739 1.00 7.04 H new ATOM 0 HA LYS B 68 19.669 -6.371 -4.160 1.00 7.77 H new ATOM 0 HB2 LYS B 68 18.931 -5.735 -1.479 1.00 7.42 H new ATOM 0 HB3 LYS B 68 18.002 -4.672 -2.517 1.00 7.42 H new ATOM 0 HG2 LYS B 68 16.656 -6.347 -3.193 1.00 9.11 H new ATOM 0 HG3 LYS B 68 18.011 -7.393 -3.567 1.00 9.11 H new ATOM 0 HD2 LYS B 68 17.970 -8.430 -1.512 1.00 10.23 H new ATOM 0 HD3 LYS B 68 17.478 -6.978 -0.663 1.00 10.23 H new ATOM 0 HE2 LYS B 68 15.176 -7.221 -1.619 1.00 10.39 H new ATOM 0 HE3 LYS B 68 15.677 -8.701 -2.414 1.00 10.39 H new ATOM 0 HZ1 LYS B 68 14.554 -9.162 -0.333 1.00 11.73 H new ATOM 0 HZ2 LYS B 68 16.172 -9.668 -0.242 1.00 11.73 H new ATOM 0 HZ3 LYS B 68 15.686 -8.235 0.528 1.00 11.73 H new ATOM 805 N MET B 69 20.226 -3.172 -3.697 1.00 8.44 N ATOM 806 CA MET B 69 20.231 -1.869 -4.352 1.00 9.20 C ATOM 807 C MET B 69 21.092 -1.897 -5.611 1.00 10.10 C ATOM 808 O MET B 69 20.656 -1.484 -6.685 1.00 11.51 O ATOM 809 CB MET B 69 20.749 -0.796 -3.393 1.00 8.53 C ATOM 810 CG MET B 69 20.897 0.574 -4.034 1.00 9.53 C ATOM 811 SD MET B 69 21.821 1.726 -3.000 1.00 8.88 S ATOM 812 CE MET B 69 23.356 0.830 -2.784 1.00 7.17 C ATOM 0 H MET B 69 20.689 -3.189 -2.789 1.00 8.44 H new ATOM 0 HA MET B 69 19.207 -1.630 -4.638 1.00 9.20 H new ATOM 0 HB2 MET B 69 20.068 -0.719 -2.545 1.00 8.53 H new ATOM 0 HB3 MET B 69 21.716 -1.109 -2.998 1.00 8.53 H new ATOM 0 HG2 MET B 69 21.401 0.469 -4.995 1.00 9.53 H new ATOM 0 HG3 MET B 69 19.908 0.985 -4.236 1.00 9.53 H new ATOM 0 HE1 MET B 69 24.126 1.510 -2.418 1.00 7.17 H new ATOM 0 HE2 MET B 69 23.209 0.026 -2.063 1.00 7.17 H new ATOM 0 HE3 MET B 69 23.669 0.408 -3.739 1.00 7.17 H new ATOM 822 N VAL B 70 22.318 -2.388 -5.468 1.00 9.68 N ATOM 823 CA VAL B 70 23.243 -2.469 -6.591 1.00 10.42 C ATOM 824 C VAL B 70 22.859 -3.598 -7.542 1.00 11.48 C ATOM 825 O VAL B 70 23.196 -3.566 -8.725 1.00 11.01 O ATOM 826 CB VAL B 70 24.690 -2.682 -6.109 1.00 10.67 C ATOM 827 CG1 VAL B 70 25.649 -2.707 -7.289 1.00 11.04 C ATOM 828 CG2 VAL B 70 25.082 -1.598 -5.116 1.00 9.89 C ATOM 0 H VAL B 70 22.694 -2.736 -4.586 1.00 9.68 H new ATOM 0 HA VAL B 70 23.182 -1.519 -7.122 1.00 10.42 H new ATOM 0 HB VAL B 70 24.749 -3.647 -5.605 1.00 10.67 H new ATOM 0 HG11 VAL B 70 26.666 -2.858 -6.928 1.00 11.04 H new ATOM 0 HG12 VAL B 70 25.378 -3.521 -7.961 1.00 11.04 H new ATOM 0 HG13 VAL B 70 25.591 -1.759 -7.825 1.00 11.04 H new ATOM 0 HG21 VAL B 70 26.107 -1.762 -4.784 1.00 9.89 H new ATOM 0 HG22 VAL B 70 25.007 -0.622 -5.595 1.00 9.89 H new ATOM 0 HG23 VAL B 70 24.413 -1.633 -4.256 1.00 9.89 H new ATOM 838 N PHE B 71 22.146 -4.591 -7.019 1.00 13.27 N ATOM 839 CA PHE B 71 21.712 -5.725 -7.825 1.00 14.49 C ATOM 840 C PHE B 71 20.812 -5.262 -8.967 1.00 17.03 C ATOM 841 O PHE B 71 20.981 -5.680 -10.113 1.00 17.94 O ATOM 842 CB PHE B 71 20.972 -6.743 -6.956 1.00 15.12 C ATOM 843 CG PHE B 71 20.566 -7.986 -7.699 1.00 14.83 C ATOM 844 CD1 PHE B 71 21.511 -8.725 -8.423 1.00 14.38 C ATOM 845 CD2 PHE B 71 19.235 -8.426 -7.678 1.00 15.29 C ATOM 846 CE1 PHE B 71 21.136 -9.881 -9.114 1.00 14.38 C ATOM 847 CE2 PHE B 71 18.854 -9.581 -8.367 1.00 15.03 C ATOM 848 CZ PHE B 71 19.806 -10.309 -9.085 1.00 14.55 C ATOM 0 H PHE B 71 21.857 -4.633 -6.042 1.00 13.27 H new ATOM 0 HA PHE B 71 22.597 -6.199 -8.250 1.00 14.49 H new ATOM 0 HB2 PHE B 71 21.609 -7.023 -6.117 1.00 15.12 H new ATOM 0 HB3 PHE B 71 20.082 -6.273 -6.538 1.00 15.12 H new ATOM 0 HD1 PHE B 71 22.540 -8.398 -8.447 1.00 14.38 H new ATOM 0 HD2 PHE B 71 18.496 -7.867 -7.124 1.00 15.29 H new ATOM 0 HE1 PHE B 71 21.873 -10.442 -9.669 1.00 14.38 H new ATOM 0 HE2 PHE B 71 17.826 -9.910 -8.344 1.00 15.03 H new ATOM 0 HZ PHE B 71 19.514 -11.202 -9.617 1.00 14.55 H new ATOM 858 N ASP B 72 19.860 -4.391 -8.647 1.00 18.39 N ATOM 859 CA ASP B 72 18.936 -3.867 -9.646 1.00 20.91 C ATOM 860 C ASP B 72 19.664 -2.943 -10.618 1.00 21.06 C ATOM 861 O ASP B 72 19.418 -2.978 -11.824 1.00 21.34 O ATOM 862 CB ASP B 72 17.788 -3.117 -8.969 1.00 22.32 C ATOM 863 CG ASP B 72 16.522 -3.121 -9.805 1.00 23.57 C ATOM 864 OD1 ASP B 72 16.626 -3.302 -11.037 1.00 23.06 O ATOM 865 OD2 ASP B 72 15.429 -2.945 -9.227 1.00 25.19 O ATOM 0 H ASP B 72 19.709 -4.033 -7.704 1.00 18.39 H new ATOM 0 HA ASP B 72 18.525 -4.707 -10.206 1.00 20.91 H new ATOM 0 HB2 ASP B 72 17.582 -3.572 -8.000 1.00 22.32 H new ATOM 0 HB3 ASP B 72 18.092 -2.087 -8.780 1.00 22.32 H new ATOM 870 N THR B 73 20.561 -2.120 -10.085 1.00 21.09 N ATOM 871 CA THR B 73 21.327 -1.191 -10.908 1.00 21.53 C ATOM 872 C THR B 73 22.094 -1.939 -11.991 1.00 23.09 C ATOM 873 O THR B 73 22.091 -1.542 -13.157 1.00 24.89 O ATOM 874 CB THR B 73 22.296 -0.386 -10.042 1.00 19.37 C ATOM 875 OG1 THR B 73 21.590 0.437 -9.130 1.00 20.11 O ATOM 876 CG2 THR B 73 23.218 0.504 -10.845 1.00 18.56 C ATOM 0 H THR B 73 20.775 -2.077 -9.089 1.00 21.09 H new ATOM 0 HA THR B 73 20.629 -0.505 -11.387 1.00 21.53 H new ATOM 0 HB THR B 73 22.899 -1.128 -9.518 1.00 19.37 H new ATOM 0 HG1 THR B 73 21.299 -0.099 -8.363 1.00 20.11 H new ATOM 0 HG21 THR B 73 23.879 1.047 -10.169 1.00 18.56 H new ATOM 0 HG22 THR B 73 23.814 -0.107 -11.523 1.00 18.56 H new ATOM 0 HG23 THR B 73 22.626 1.215 -11.422 1.00 18.56 H new ATOM 884 N LEU B 74 22.749 -3.027 -11.599 1.00 22.45 N ATOM 885 CA LEU B 74 23.518 -3.834 -12.537 1.00 23.91 C ATOM 886 C LEU B 74 22.606 -4.467 -13.582 1.00 25.19 C ATOM 887 O LEU B 74 22.969 -4.572 -14.754 1.00 26.70 O ATOM 888 CB LEU B 74 24.293 -4.921 -11.790 1.00 23.63 C ATOM 889 CG LEU B 74 25.447 -4.413 -10.925 1.00 21.89 C ATOM 890 CD1 LEU B 74 25.916 -5.500 -9.971 1.00 22.13 C ATOM 891 CD2 LEU B 74 26.596 -3.936 -11.800 1.00 21.92 C ATOM 0 H LEU B 74 22.762 -3.369 -10.638 1.00 22.45 H new ATOM 0 HA LEU B 74 24.226 -3.181 -13.047 1.00 23.91 H new ATOM 0 HB2 LEU B 74 23.598 -5.471 -11.156 1.00 23.63 H new ATOM 0 HB3 LEU B 74 24.689 -5.629 -12.518 1.00 23.63 H new ATOM 0 HG LEU B 74 25.091 -3.569 -10.334 1.00 21.89 H new ATOM 0 HD11 LEU B 74 26.738 -5.121 -9.363 1.00 22.13 H new ATOM 0 HD12 LEU B 74 25.091 -5.796 -9.323 1.00 22.13 H new ATOM 0 HD13 LEU B 74 26.256 -6.364 -10.542 1.00 22.13 H new ATOM 0 HD21 LEU B 74 27.409 -3.578 -11.169 1.00 21.92 H new ATOM 0 HD22 LEU B 74 26.952 -4.762 -12.416 1.00 21.92 H new ATOM 0 HD23 LEU B 74 26.252 -3.126 -12.443 1.00 21.92 H new ATOM 903 N LYS B 75 21.420 -4.884 -13.151 1.00 24.72 N ATOM 904 CA LYS B 75 20.457 -5.502 -14.053 1.00 25.92 C ATOM 905 C LYS B 75 20.236 -4.626 -15.280 1.00 26.41 C ATOM 906 O LYS B 75 20.160 -5.121 -16.405 1.00 27.19 O ATOM 907 CB LYS B 75 19.128 -5.743 -13.334 1.00 25.50 C ATOM 908 CG LYS B 75 18.188 -6.670 -14.087 1.00 25.37 C ATOM 909 CD LYS B 75 17.668 -7.783 -13.192 1.00 24.43 C ATOM 910 CE LYS B 75 16.561 -7.289 -12.274 1.00 25.09 C ATOM 911 NZ LYS B 75 16.538 -8.029 -10.982 1.00 24.26 N ATOM 0 H LYS B 75 21.104 -4.805 -12.184 1.00 24.72 H new ATOM 0 HA LYS B 75 20.859 -6.462 -14.377 1.00 25.92 H new ATOM 0 HB2 LYS B 75 19.329 -6.165 -12.349 1.00 25.50 H new ATOM 0 HB3 LYS B 75 18.631 -4.786 -13.176 1.00 25.50 H new ATOM 0 HG2 LYS B 75 17.349 -6.097 -14.481 1.00 25.37 H new ATOM 0 HG3 LYS B 75 18.709 -7.102 -14.942 1.00 25.37 H new ATOM 0 HD2 LYS B 75 17.294 -8.601 -13.807 1.00 24.43 H new ATOM 0 HD3 LYS B 75 18.487 -8.183 -12.594 1.00 24.43 H new ATOM 0 HE2 LYS B 75 16.698 -6.225 -12.080 1.00 25.09 H new ATOM 0 HE3 LYS B 75 15.599 -7.401 -12.773 1.00 25.09 H new ATOM 0 HZ1 LYS B 75 15.769 -7.662 -10.385 1.00 24.26 H new ATOM 0 HZ2 LYS B 75 16.382 -9.041 -11.164 1.00 24.26 H new ATOM 0 HZ3 LYS B 75 17.447 -7.902 -10.493 1.00 24.26 H new ATOM 925 N ASP B 76 20.141 -3.321 -15.054 1.00 25.99 N ATOM 926 CA ASP B 76 19.939 -2.371 -16.137 1.00 26.45 C ATOM 927 C ASP B 76 21.243 -2.138 -16.893 1.00 26.98 C ATOM 928 O ASP B 76 21.243 -1.949 -18.110 1.00 27.91 O ATOM 929 CB ASP B 76 19.403 -1.045 -15.593 1.00 25.32 C ATOM 930 CG ASP B 76 18.410 -0.393 -16.535 1.00 26.87 C ATOM 931 OD1 ASP B 76 18.530 -0.602 -17.761 1.00 27.42 O ATOM 932 OD2 ASP B 76 17.513 0.326 -16.048 1.00 27.57 O ATOM 0 H ASP B 76 20.201 -2.898 -14.128 1.00 25.99 H new ATOM 0 HA ASP B 76 19.205 -2.789 -16.826 1.00 26.45 H new ATOM 0 HB2 ASP B 76 18.925 -1.218 -14.629 1.00 25.32 H new ATOM 0 HB3 ASP B 76 20.236 -0.364 -15.419 1.00 25.32 H new ATOM 937 N LEU B 77 22.352 -2.157 -16.161 1.00 26.42 N ATOM 938 CA LEU B 77 23.667 -1.956 -16.755 1.00 26.90 C ATOM 939 C LEU B 77 23.944 -3.009 -17.823 1.00 28.03 C ATOM 940 O LEU B 77 24.340 -2.685 -18.942 1.00 28.97 O ATOM 941 CB LEU B 77 24.749 -2.013 -15.675 1.00 26.48 C ATOM 942 CG LEU B 77 25.038 -0.683 -14.978 1.00 26.39 C ATOM 943 CD1 LEU B 77 25.856 -0.908 -13.715 1.00 23.93 C ATOM 944 CD2 LEU B 77 25.761 0.266 -15.922 1.00 27.59 C ATOM 0 H LEU B 77 22.365 -2.310 -15.153 1.00 26.42 H new ATOM 0 HA LEU B 77 23.683 -0.973 -17.225 1.00 26.90 H new ATOM 0 HB2 LEU B 77 24.452 -2.743 -14.922 1.00 26.48 H new ATOM 0 HB3 LEU B 77 25.672 -2.378 -16.126 1.00 26.48 H new ATOM 0 HG LEU B 77 24.089 -0.229 -14.694 1.00 26.39 H new ATOM 0 HD11 LEU B 77 26.052 0.050 -13.233 1.00 23.93 H new ATOM 0 HD12 LEU B 77 25.301 -1.551 -13.032 1.00 23.93 H new ATOM 0 HD13 LEU B 77 26.802 -1.384 -13.974 1.00 23.93 H new ATOM 0 HD21 LEU B 77 25.959 1.208 -15.410 1.00 27.59 H new ATOM 0 HD22 LEU B 77 26.704 -0.182 -16.236 1.00 27.59 H new ATOM 0 HD23 LEU B 77 25.139 0.453 -16.797 1.00 27.59 H new ATOM 956 N TYR B 78 23.730 -4.272 -17.467 1.00 27.93 N ATOM 957 CA TYR B 78 23.953 -5.376 -18.391 1.00 28.94 C ATOM 958 C TYR B 78 22.823 -5.469 -19.410 1.00 31.99 C ATOM 959 O TYR B 78 23.060 -5.692 -20.598 1.00 33.31 O ATOM 960 CB TYR B 78 24.071 -6.692 -17.623 1.00 27.96 C ATOM 961 CG TYR B 78 25.460 -6.963 -17.093 1.00 25.91 C ATOM 962 CD1 TYR B 78 26.582 -6.895 -17.938 1.00 26.06 C ATOM 963 CD2 TYR B 78 25.664 -7.293 -15.741 1.00 23.98 C ATOM 964 CE1 TYR B 78 27.867 -7.147 -17.450 1.00 24.23 C ATOM 965 CE2 TYR B 78 26.946 -7.545 -15.247 1.00 22.13 C ATOM 966 CZ TYR B 78 28.044 -7.471 -16.104 1.00 22.19 C ATOM 967 OH TYR B 78 29.307 -7.721 -15.621 1.00 20.43 O ATOM 0 H TYR B 78 23.402 -4.555 -16.544 1.00 27.93 H new ATOM 0 HA TYR B 78 24.885 -5.189 -18.925 1.00 28.94 H new ATOM 0 HB2 TYR B 78 23.369 -6.680 -16.789 1.00 27.96 H new ATOM 0 HB3 TYR B 78 23.775 -7.512 -18.277 1.00 27.96 H new ATOM 0 HD1 TYR B 78 26.449 -6.644 -18.980 1.00 26.06 H new ATOM 0 HD2 TYR B 78 24.816 -7.352 -15.075 1.00 23.98 H new ATOM 0 HE1 TYR B 78 28.719 -7.091 -18.111 1.00 24.23 H new ATOM 0 HE2 TYR B 78 27.086 -7.796 -14.206 1.00 22.13 H new ATOM 0 HH TYR B 78 29.256 -7.930 -14.665 1.00 20.43 H new ATOM 977 N LYS B 79 21.593 -5.296 -18.937 1.00 33.21 N ATOM 978 CA LYS B 79 20.423 -5.361 -19.807 1.00 36.12 C ATOM 979 C LYS B 79 20.529 -4.346 -20.941 1.00 37.37 C ATOM 980 O LYS B 79 20.145 -4.628 -22.076 1.00 38.73 O ATOM 981 CB LYS B 79 19.147 -5.112 -19.000 1.00 37.18 C ATOM 982 CG LYS B 79 17.891 -5.051 -19.853 1.00 38.93 C ATOM 983 CD LYS B 79 16.740 -5.800 -19.202 1.00 41.12 C ATOM 984 CE LYS B 79 15.399 -5.361 -19.767 1.00 42.96 C ATOM 985 NZ LYS B 79 15.006 -6.168 -20.956 1.00 45.57 N ATOM 0 H LYS B 79 21.380 -5.110 -17.957 1.00 33.21 H new ATOM 0 HA LYS B 79 20.380 -6.360 -20.242 1.00 36.12 H new ATOM 0 HB2 LYS B 79 19.035 -5.904 -18.259 1.00 37.18 H new ATOM 0 HB3 LYS B 79 19.250 -4.175 -18.452 1.00 37.18 H new ATOM 0 HG2 LYS B 79 17.607 -4.011 -20.011 1.00 38.93 H new ATOM 0 HG3 LYS B 79 18.095 -5.478 -20.835 1.00 38.93 H new ATOM 0 HD2 LYS B 79 16.868 -6.871 -19.357 1.00 41.12 H new ATOM 0 HD3 LYS B 79 16.756 -5.629 -18.126 1.00 41.12 H new ATOM 0 HE2 LYS B 79 14.633 -5.453 -18.997 1.00 42.96 H new ATOM 0 HE3 LYS B 79 15.449 -4.308 -20.043 1.00 42.96 H new ATOM 0 HZ1 LYS B 79 14.086 -5.837 -21.311 1.00 45.57 H new ATOM 0 HZ2 LYS B 79 15.724 -6.061 -21.701 1.00 45.57 H new ATOM 0 HZ3 LYS B 79 14.933 -7.170 -20.687 1.00 45.57 H new ATOM 1103 N ALA C 55 26.001 13.758 18.352 1.00 30.26 N ATOM 1104 CA ALA C 55 25.666 12.394 17.962 1.00 28.03 C ATOM 1105 C ALA C 55 25.000 12.373 16.593 1.00 25.96 C ATOM 1106 O ALA C 55 25.347 11.562 15.734 1.00 24.40 O ATOM 1107 CB ALA C 55 24.764 11.751 19.005 1.00 27.67 C ATOM 0 HA ALA C 55 26.589 11.818 17.900 1.00 28.03 H new ATOM 0 HB1 ALA C 55 24.523 10.733 18.699 1.00 27.67 H new ATOM 0 HB2 ALA C 55 25.277 11.729 19.966 1.00 27.67 H new ATOM 0 HB3 ALA C 55 23.845 12.330 19.097 1.00 27.67 H new ATOM 1113 N GLU C 56 24.044 13.275 16.394 1.00 26.12 N ATOM 1114 CA GLU C 56 23.333 13.364 15.124 1.00 24.39 C ATOM 1115 C GLU C 56 24.286 13.760 14.003 1.00 24.15 C ATOM 1116 O GLU C 56 24.352 13.100 12.967 1.00 23.79 O ATOM 1117 CB GLU C 56 22.190 14.377 15.223 1.00 25.22 C ATOM 1118 CG GLU C 56 20.953 13.978 14.435 1.00 25.01 C ATOM 1119 CD GLU C 56 19.864 15.030 14.487 1.00 25.16 C ATOM 1120 OE1 GLU C 56 20.133 16.140 14.994 1.00 26.52 O ATOM 1121 OE2 GLU C 56 18.740 14.745 14.022 1.00 24.08 O ATOM 0 H GLU C 56 23.744 13.953 17.095 1.00 26.12 H new ATOM 0 HA GLU C 56 22.916 12.383 14.896 1.00 24.39 H new ATOM 0 HB2 GLU C 56 21.918 14.504 16.271 1.00 25.22 H new ATOM 0 HB3 GLU C 56 22.542 15.345 14.866 1.00 25.22 H new ATOM 0 HG2 GLU C 56 21.231 13.799 13.396 1.00 25.01 H new ATOM 0 HG3 GLU C 56 20.564 13.038 14.828 1.00 25.01 H new ATOM 1128 N ARG C 57 25.030 14.837 14.225 1.00 24.52 N ATOM 1129 CA ARG C 57 25.989 15.316 13.238 1.00 24.36 C ATOM 1130 C ARG C 57 27.054 14.259 12.981 1.00 24.78 C ATOM 1131 O ARG C 57 27.414 13.985 11.836 1.00 24.97 O ATOM 1132 CB ARG C 57 26.646 16.613 13.714 1.00 24.16 C ATOM 1133 CG ARG C 57 25.662 17.750 13.936 1.00 23.56 C ATOM 1134 CD ARG C 57 26.127 18.679 15.047 1.00 23.44 C ATOM 1135 NE ARG C 57 27.371 19.363 14.704 1.00 24.47 N ATOM 1136 CZ ARG C 57 28.028 20.158 15.542 1.00 25.21 C ATOM 1137 NH1 ARG C 57 27.561 20.366 16.765 1.00 25.05 N ATOM 1138 NH2 ARG C 57 29.155 20.744 15.157 1.00 26.34 N ATOM 0 H ARG C 57 24.988 15.394 15.078 1.00 24.52 H new ATOM 0 HA ARG C 57 25.455 15.515 12.309 1.00 24.36 H new ATOM 0 HB2 ARG C 57 27.180 16.419 14.644 1.00 24.16 H new ATOM 0 HB3 ARG C 57 27.388 16.925 12.979 1.00 24.16 H new ATOM 0 HG2 ARG C 57 25.544 18.316 13.012 1.00 23.56 H new ATOM 0 HG3 ARG C 57 24.683 17.342 14.187 1.00 23.56 H new ATOM 0 HD2 ARG C 57 25.351 19.417 15.250 1.00 23.44 H new ATOM 0 HD3 ARG C 57 26.269 18.106 15.963 1.00 23.44 H new ATOM 0 HE ARG C 57 27.757 19.223 13.770 1.00 24.47 H new ATOM 0 HH11 ARG C 57 26.696 19.916 17.064 1.00 25.05 H new ATOM 0 HH12 ARG C 57 28.067 20.976 17.407 1.00 25.05 H new ATOM 0 HH21 ARG C 57 29.518 20.584 14.217 1.00 26.34 H new ATOM 0 HH22 ARG C 57 29.658 21.354 15.801 1.00 26.34 H new ATOM 1152 N LEU C 58 27.548 13.663 14.060 1.00 24.99 N ATOM 1153 CA LEU C 58 28.568 12.626 13.965 1.00 25.48 C ATOM 1154 C LEU C 58 28.115 11.515 13.025 1.00 23.87 C ATOM 1155 O LEU C 58 28.836 11.135 12.103 1.00 23.01 O ATOM 1156 CB LEU C 58 28.870 12.049 15.350 1.00 25.62 C ATOM 1157 CG LEU C 58 29.995 12.749 16.113 1.00 25.75 C ATOM 1158 CD1 LEU C 58 30.284 12.025 17.418 1.00 25.55 C ATOM 1159 CD2 LEU C 58 31.251 12.826 15.258 1.00 25.82 C ATOM 0 H LEU C 58 27.258 13.881 15.013 1.00 24.99 H new ATOM 0 HA LEU C 58 29.477 13.074 13.563 1.00 25.48 H new ATOM 0 HB2 LEU C 58 27.962 12.094 15.951 1.00 25.62 H new ATOM 0 HB3 LEU C 58 29.128 10.996 15.239 1.00 25.62 H new ATOM 0 HG LEU C 58 29.673 13.764 16.346 1.00 25.75 H new ATOM 0 HD11 LEU C 58 31.087 12.537 17.948 1.00 25.55 H new ATOM 0 HD12 LEU C 58 29.387 12.019 18.037 1.00 25.55 H new ATOM 0 HD13 LEU C 58 30.585 10.999 17.206 1.00 25.55 H new ATOM 0 HD21 LEU C 58 32.041 13.327 15.817 1.00 25.82 H new ATOM 0 HD22 LEU C 58 31.575 11.819 14.996 1.00 25.82 H new ATOM 0 HD23 LEU C 58 31.038 13.387 14.348 1.00 25.82 H new ATOM 1171 N ALA C 59 26.913 11.001 13.264 1.00 23.66 N ATOM 1172 CA ALA C 59 26.360 9.937 12.437 1.00 22.21 C ATOM 1173 C ALA C 59 26.427 10.312 10.962 1.00 22.14 C ATOM 1174 O ALA C 59 26.631 9.456 10.100 1.00 21.80 O ATOM 1175 CB ALA C 59 24.925 9.643 12.847 1.00 20.06 C ATOM 0 H ALA C 59 26.304 11.305 14.024 1.00 23.66 H new ATOM 0 HA ALA C 59 26.957 9.037 12.587 1.00 22.21 H new ATOM 0 HB1 ALA C 59 24.524 8.846 12.221 1.00 20.06 H new ATOM 0 HB2 ALA C 59 24.902 9.331 13.891 1.00 20.06 H new ATOM 0 HB3 ALA C 59 24.320 10.541 12.723 1.00 20.06 H new ATOM 1181 N ASP C 60 26.261 11.600 10.679 1.00 22.87 N ATOM 1182 CA ASP C 60 26.309 12.095 9.311 1.00 23.35 C ATOM 1183 C ASP C 60 27.729 12.018 8.763 1.00 23.42 C ATOM 1184 O ASP C 60 27.935 11.844 7.562 1.00 23.79 O ATOM 1185 CB ASP C 60 25.803 13.537 9.250 1.00 25.29 C ATOM 1186 CG ASP C 60 24.697 13.720 8.230 1.00 24.80 C ATOM 1187 OD1 ASP C 60 24.524 12.825 7.374 1.00 24.02 O ATOM 1188 OD2 ASP C 60 24.004 14.757 8.284 1.00 25.24 O ATOM 0 H ASP C 60 26.092 12.320 11.382 1.00 22.87 H new ATOM 0 HA ASP C 60 25.663 11.467 8.697 1.00 23.35 H new ATOM 0 HB2 ASP C 60 25.439 13.833 10.234 1.00 25.29 H new ATOM 0 HB3 ASP C 60 26.633 14.200 9.005 1.00 25.29 H new ATOM 1193 N GLU C 61 28.706 12.144 9.656 1.00 23.21 N ATOM 1194 CA GLU C 61 30.110 12.085 9.268 1.00 23.30 C ATOM 1195 C GLU C 61 30.525 10.649 8.976 1.00 21.50 C ATOM 1196 O GLU C 61 31.156 10.367 7.957 1.00 21.56 O ATOM 1197 CB GLU C 61 30.991 12.671 10.373 1.00 24.23 C ATOM 1198 CG GLU C 61 32.122 13.543 9.851 1.00 24.95 C ATOM 1199 CD GLU C 61 31.660 14.939 9.480 1.00 25.79 C ATOM 1200 OE1 GLU C 61 30.875 15.067 8.518 1.00 25.70 O ATOM 1201 OE2 GLU C 61 32.086 15.902 10.151 1.00 26.74 O ATOM 0 H GLU C 61 28.550 12.288 10.654 1.00 23.21 H new ATOM 0 HA GLU C 61 30.241 12.676 8.361 1.00 23.30 H new ATOM 0 HB2 GLU C 61 30.370 13.261 11.047 1.00 24.23 H new ATOM 0 HB3 GLU C 61 31.413 11.856 10.960 1.00 24.23 H new ATOM 0 HG2 GLU C 61 32.902 13.612 10.609 1.00 24.95 H new ATOM 0 HG3 GLU C 61 32.568 13.068 8.977 1.00 24.95 H new ATOM 1208 N GLN C 62 30.159 9.744 9.876 1.00 20.24 N ATOM 1209 CA GLN C 62 30.486 8.333 9.717 1.00 18.74 C ATOM 1210 C GLN C 62 29.978 7.814 8.376 1.00 17.12 C ATOM 1211 O GLN C 62 30.721 7.188 7.619 1.00 17.34 O ATOM 1212 CB GLN C 62 29.880 7.514 10.859 1.00 17.19 C ATOM 1213 CG GLN C 62 30.296 7.996 12.239 1.00 18.33 C ATOM 1214 CD GLN C 62 31.790 8.228 12.350 1.00 18.93 C ATOM 1215 OE1 GLN C 62 32.579 7.624 11.623 1.00 18.21 O ATOM 1216 NE2 GLN C 62 32.186 9.108 13.262 1.00 20.48 N ATOM 0 H GLN C 62 29.635 9.963 10.724 1.00 20.24 H new ATOM 0 HA GLN C 62 31.571 8.227 9.744 1.00 18.74 H new ATOM 0 HB2 GLN C 62 28.793 7.549 10.783 1.00 17.19 H new ATOM 0 HB3 GLN C 62 30.174 6.471 10.743 1.00 17.19 H new ATOM 0 HG2 GLN C 62 29.770 8.922 12.470 1.00 18.33 H new ATOM 0 HG3 GLN C 62 29.990 7.261 12.984 1.00 18.33 H new ATOM 0 HE21 GLN C 62 31.497 9.586 13.843 1.00 20.48 H new ATOM 0 HE22 GLN C 62 33.179 9.307 13.382 1.00 20.48 H new ATOM 1225 N SER C 63 28.709 8.082 8.088 1.00 15.84 N ATOM 1226 CA SER C 63 28.103 7.649 6.836 1.00 14.27 C ATOM 1227 C SER C 63 28.856 8.230 5.644 1.00 13.13 C ATOM 1228 O SER C 63 29.020 7.572 4.618 1.00 12.09 O ATOM 1229 CB SER C 63 26.634 8.071 6.782 1.00 13.71 C ATOM 1230 OG SER C 63 26.039 8.015 8.067 1.00 12.91 O ATOM 0 H SER C 63 28.081 8.597 8.705 1.00 15.84 H new ATOM 0 HA SER C 63 28.161 6.562 6.788 1.00 14.27 H new ATOM 0 HB2 SER C 63 26.558 9.084 6.387 1.00 13.71 H new ATOM 0 HB3 SER C 63 26.090 7.420 6.098 1.00 13.71 H new ATOM 0 HG SER C 63 26.159 8.875 8.521 1.00 12.91 H new ATOM 1236 N GLU C 64 29.318 9.469 5.792 1.00 13.45 N ATOM 1237 CA GLU C 64 30.059 10.138 4.731 1.00 12.73 C ATOM 1238 C GLU C 64 31.297 9.331 4.351 1.00 12.73 C ATOM 1239 O GLU C 64 31.756 9.376 3.211 1.00 12.98 O ATOM 1240 CB GLU C 64 30.465 11.545 5.172 1.00 13.60 C ATOM 1241 CG GLU C 64 30.081 12.629 4.177 1.00 15.06 C ATOM 1242 CD GLU C 64 30.326 14.025 4.715 1.00 16.73 C ATOM 1243 OE1 GLU C 64 31.459 14.300 5.161 1.00 18.96 O ATOM 1244 OE2 GLU C 64 29.383 14.845 4.688 1.00 15.87 O ATOM 0 H GLU C 64 29.192 10.028 6.636 1.00 13.45 H new ATOM 0 HA GLU C 64 29.412 10.216 3.857 1.00 12.73 H new ATOM 0 HB2 GLU C 64 30.000 11.764 6.133 1.00 13.60 H new ATOM 0 HB3 GLU C 64 31.544 11.571 5.327 1.00 13.60 H new ATOM 0 HG2 GLU C 64 30.651 12.492 3.258 1.00 15.06 H new ATOM 0 HG3 GLU C 64 29.028 12.523 3.918 1.00 15.06 H new ATOM 1251 N LEU C 65 31.827 8.587 5.316 1.00 12.87 N ATOM 1252 CA LEU C 65 33.004 7.763 5.080 1.00 12.85 C ATOM 1253 C LEU C 65 32.617 6.497 4.325 1.00 12.24 C ATOM 1254 O LEU C 65 33.391 5.978 3.520 1.00 13.68 O ATOM 1255 CB LEU C 65 33.678 7.399 6.404 1.00 12.28 C ATOM 1256 CG LEU C 65 34.201 8.588 7.211 1.00 13.13 C ATOM 1257 CD1 LEU C 65 34.205 8.264 8.696 1.00 14.20 C ATOM 1258 CD2 LEU C 65 35.596 8.975 6.743 1.00 15.19 C ATOM 0 H LEU C 65 31.460 8.538 6.267 1.00 12.87 H new ATOM 0 HA LEU C 65 33.710 8.334 4.476 1.00 12.85 H new ATOM 0 HB2 LEU C 65 32.965 6.848 7.018 1.00 12.28 H new ATOM 0 HB3 LEU C 65 34.509 6.725 6.198 1.00 12.28 H new ATOM 0 HG LEU C 65 33.536 9.436 7.048 1.00 13.13 H new ATOM 0 HD11 LEU C 65 34.580 9.122 9.254 1.00 14.20 H new ATOM 0 HD12 LEU C 65 33.190 8.035 9.021 1.00 14.20 H new ATOM 0 HD13 LEU C 65 34.848 7.403 8.879 1.00 14.20 H new ATOM 0 HD21 LEU C 65 35.954 9.823 7.327 1.00 15.19 H new ATOM 0 HD22 LEU C 65 36.272 8.131 6.877 1.00 15.19 H new ATOM 0 HD23 LEU C 65 35.563 9.249 5.689 1.00 15.19 H new ATOM 1270 N VAL C 66 31.408 6.011 4.588 1.00 10.20 N ATOM 1271 CA VAL C 66 30.907 4.814 3.933 1.00 9.65 C ATOM 1272 C VAL C 66 30.424 5.131 2.523 1.00 9.68 C ATOM 1273 O VAL C 66 30.663 4.366 1.588 1.00 10.51 O ATOM 1274 CB VAL C 66 29.752 4.178 4.731 1.00 9.71 C ATOM 1275 CG1 VAL C 66 29.308 2.874 4.085 1.00 9.62 C ATOM 1276 CG2 VAL C 66 30.164 3.950 6.177 1.00 9.89 C ATOM 0 H VAL C 66 30.758 6.431 5.252 1.00 10.20 H new ATOM 0 HA VAL C 66 31.734 4.105 3.884 1.00 9.65 H new ATOM 0 HB VAL C 66 28.907 4.867 4.721 1.00 9.71 H new ATOM 0 HG11 VAL C 66 28.492 2.441 4.663 1.00 9.62 H new ATOM 0 HG12 VAL C 66 28.968 3.069 3.068 1.00 9.62 H new ATOM 0 HG13 VAL C 66 30.145 2.177 4.060 1.00 9.62 H new ATOM 0 HG21 VAL C 66 29.336 3.500 6.725 1.00 9.89 H new ATOM 0 HG22 VAL C 66 31.025 3.283 6.209 1.00 9.89 H new ATOM 0 HG23 VAL C 66 30.427 4.903 6.635 1.00 9.89 H new ATOM 1286 N LYS C 67 29.747 6.266 2.377 1.00 9.25 N ATOM 1287 CA LYS C 67 29.236 6.687 1.079 1.00 9.98 C ATOM 1288 C LYS C 67 30.381 6.893 0.093 1.00 10.56 C ATOM 1289 O LYS C 67 30.314 6.453 -1.055 1.00 11.19 O ATOM 1290 CB LYS C 67 28.409 7.972 1.220 1.00 12.29 C ATOM 1291 CG LYS C 67 29.242 9.238 1.352 1.00 14.27 C ATOM 1292 CD LYS C 67 28.367 10.480 1.380 1.00 16.24 C ATOM 1293 CE LYS C 67 28.185 11.067 -0.011 1.00 18.41 C ATOM 1294 NZ LYS C 67 27.852 12.517 0.037 1.00 20.07 N ATOM 0 H LYS C 67 29.540 6.909 3.141 1.00 9.25 H new ATOM 0 HA LYS C 67 28.588 5.900 0.692 1.00 9.98 H new ATOM 0 HB2 LYS C 67 27.757 8.068 0.352 1.00 12.29 H new ATOM 0 HB3 LYS C 67 27.764 7.882 2.094 1.00 12.29 H new ATOM 0 HG2 LYS C 67 29.837 9.190 2.264 1.00 14.27 H new ATOM 0 HG3 LYS C 67 29.941 9.303 0.519 1.00 14.27 H new ATOM 0 HD2 LYS C 67 27.393 10.230 1.801 1.00 16.24 H new ATOM 0 HD3 LYS C 67 28.815 11.227 2.035 1.00 16.24 H new ATOM 0 HE2 LYS C 67 29.099 10.923 -0.588 1.00 18.41 H new ATOM 0 HE3 LYS C 67 27.392 10.530 -0.531 1.00 18.41 H new ATOM 0 HZ1 LYS C 67 27.736 12.879 -0.931 1.00 20.07 H new ATOM 0 HZ2 LYS C 67 26.967 12.653 0.566 1.00 20.07 H new ATOM 0 HZ3 LYS C 67 28.620 13.034 0.510 1.00 20.07 H new ATOM 1308 N LYS C 68 31.437 7.558 0.553 1.00 10.49 N ATOM 1309 CA LYS C 68 32.602 7.814 -0.286 1.00 11.19 C ATOM 1310 C LYS C 68 33.253 6.501 -0.709 1.00 9.32 C ATOM 1311 O LYS C 68 33.659 6.339 -1.859 1.00 9.51 O ATOM 1312 CB LYS C 68 33.614 8.688 0.457 1.00 13.57 C ATOM 1313 CG LYS C 68 34.227 8.014 1.673 1.00 14.07 C ATOM 1314 CD LYS C 68 35.338 8.859 2.277 1.00 15.77 C ATOM 1315 CE LYS C 68 36.518 8.003 2.709 1.00 17.47 C ATOM 1316 NZ LYS C 68 37.446 7.727 1.578 1.00 18.34 N ATOM 0 H LYS C 68 31.509 7.929 1.501 1.00 10.49 H new ATOM 0 HA LYS C 68 32.272 8.344 -1.179 1.00 11.19 H new ATOM 0 HB2 LYS C 68 34.411 8.971 -0.231 1.00 13.57 H new ATOM 0 HB3 LYS C 68 33.123 9.609 0.772 1.00 13.57 H new ATOM 0 HG2 LYS C 68 33.454 7.838 2.421 1.00 14.07 H new ATOM 0 HG3 LYS C 68 34.623 7.039 1.389 1.00 14.07 H new ATOM 0 HD2 LYS C 68 35.671 9.598 1.549 1.00 15.77 H new ATOM 0 HD3 LYS C 68 34.952 9.409 3.136 1.00 15.77 H new ATOM 0 HE2 LYS C 68 37.060 8.508 3.508 1.00 17.47 H new ATOM 0 HE3 LYS C 68 36.153 7.061 3.118 1.00 17.47 H new ATOM 0 HZ1 LYS C 68 38.237 7.141 1.913 1.00 18.34 H new ATOM 0 HZ2 LYS C 68 36.936 7.222 0.825 1.00 18.34 H new ATOM 0 HZ3 LYS C 68 37.815 8.625 1.204 1.00 18.34 H new ATOM 1330 N MET C 69 33.339 5.563 0.229 1.00 7.88 N ATOM 1331 CA MET C 69 33.930 4.260 -0.047 1.00 6.46 C ATOM 1332 C MET C 69 33.116 3.525 -1.107 1.00 4.03 C ATOM 1333 O MET C 69 33.671 2.869 -1.988 1.00 4.31 O ATOM 1334 CB MET C 69 34.003 3.425 1.232 1.00 6.50 C ATOM 1335 CG MET C 69 34.559 2.026 1.016 1.00 5.99 C ATOM 1336 SD MET C 69 34.595 1.052 2.533 1.00 6.90 S ATOM 1337 CE MET C 69 32.953 1.365 3.176 1.00 7.26 C ATOM 0 H MET C 69 33.007 5.682 1.186 1.00 7.88 H new ATOM 0 HA MET C 69 34.942 4.412 -0.423 1.00 6.46 H new ATOM 0 HB2 MET C 69 34.625 3.945 1.960 1.00 6.50 H new ATOM 0 HB3 MET C 69 33.005 3.347 1.663 1.00 6.50 H new ATOM 0 HG2 MET C 69 33.953 1.509 0.271 1.00 5.99 H new ATOM 0 HG3 MET C 69 35.568 2.099 0.611 1.00 5.99 H new ATOM 0 HE1 MET C 69 32.566 0.459 3.643 1.00 7.26 H new ATOM 0 HE2 MET C 69 32.998 2.164 3.916 1.00 7.26 H new ATOM 0 HE3 MET C 69 32.294 1.662 2.361 1.00 7.26 H new ATOM 1347 N VAL C 70 31.796 3.647 -1.015 1.00 2.48 N ATOM 1348 CA VAL C 70 30.899 3.006 -1.964 1.00 1.20 C ATOM 1349 C VAL C 70 30.971 3.700 -3.321 1.00 3.24 C ATOM 1350 O VAL C 70 31.002 3.044 -4.363 1.00 3.85 O ATOM 1351 CB VAL C 70 29.442 3.009 -1.450 1.00 2.94 C ATOM 1352 CG1 VAL C 70 28.470 2.527 -2.521 1.00 3.84 C ATOM 1353 CG2 VAL C 70 29.326 2.149 -0.203 1.00 3.36 C ATOM 0 H VAL C 70 31.324 4.186 -0.289 1.00 2.48 H new ATOM 0 HA VAL C 70 31.221 1.971 -2.074 1.00 1.20 H new ATOM 0 HB VAL C 70 29.176 4.036 -1.201 1.00 2.94 H new ATOM 0 HG11 VAL C 70 27.455 2.542 -2.124 1.00 3.84 H new ATOM 0 HG12 VAL C 70 28.530 3.183 -3.389 1.00 3.84 H new ATOM 0 HG13 VAL C 70 28.729 1.510 -2.816 1.00 3.84 H new ATOM 0 HG21 VAL C 70 28.295 2.158 0.151 1.00 3.36 H new ATOM 0 HG22 VAL C 70 29.620 1.126 -0.438 1.00 3.36 H new ATOM 0 HG23 VAL C 70 29.980 2.545 0.574 1.00 3.36 H new ATOM 1363 N PHE C 71 31.004 5.028 -3.302 1.00 5.04 N ATOM 1364 CA PHE C 71 31.080 5.799 -4.537 1.00 7.39 C ATOM 1365 C PHE C 71 32.254 5.323 -5.386 1.00 7.63 C ATOM 1366 O PHE C 71 32.071 4.869 -6.513 1.00 9.18 O ATOM 1367 CB PHE C 71 31.222 7.295 -4.236 1.00 9.03 C ATOM 1368 CG PHE C 71 31.514 8.121 -5.456 1.00 9.74 C ATOM 1369 CD1 PHE C 71 30.564 8.242 -6.479 1.00 8.97 C ATOM 1370 CD2 PHE C 71 32.748 8.773 -5.598 1.00 11.50 C ATOM 1371 CE1 PHE C 71 30.837 9.000 -7.621 1.00 9.81 C ATOM 1372 CE2 PHE C 71 33.026 9.530 -6.739 1.00 12.60 C ATOM 1373 CZ PHE C 71 32.070 9.644 -7.752 1.00 11.71 C ATOM 0 H PHE C 71 30.980 5.590 -2.451 1.00 5.04 H new ATOM 0 HA PHE C 71 30.155 5.645 -5.093 1.00 7.39 H new ATOM 0 HB2 PHE C 71 30.303 7.654 -3.774 1.00 9.03 H new ATOM 0 HB3 PHE C 71 32.021 7.438 -3.509 1.00 9.03 H new ATOM 0 HD1 PHE C 71 29.610 7.744 -6.384 1.00 8.97 H new ATOM 0 HD2 PHE C 71 33.490 8.689 -4.818 1.00 11.50 H new ATOM 0 HE1 PHE C 71 30.096 9.088 -8.401 1.00 9.81 H new ATOM 0 HE2 PHE C 71 33.980 10.027 -6.838 1.00 12.60 H new ATOM 0 HZ PHE C 71 32.284 10.229 -8.634 1.00 11.71 H new ATOM 1383 N ASP C 72 33.459 5.428 -4.834 1.00 6.44 N ATOM 1384 CA ASP C 72 34.660 5.002 -5.543 1.00 6.82 C ATOM 1385 C ASP C 72 34.495 3.579 -6.066 1.00 7.17 C ATOM 1386 O ASP C 72 34.826 3.286 -7.215 1.00 7.75 O ATOM 1387 CB ASP C 72 35.878 5.083 -4.623 1.00 5.20 C ATOM 1388 CG ASP C 72 37.184 5.124 -5.393 1.00 5.13 C ATOM 1389 OD1 ASP C 72 37.214 4.624 -6.537 1.00 4.89 O ATOM 1390 OD2 ASP C 72 38.175 5.656 -4.852 1.00 6.09 O ATOM 0 H ASP C 72 33.629 5.803 -3.901 1.00 6.44 H new ATOM 0 HA ASP C 72 34.813 5.671 -6.390 1.00 6.82 H new ATOM 0 HB2 ASP C 72 35.800 5.973 -3.999 1.00 5.20 H new ATOM 0 HB3 ASP C 72 35.881 4.223 -3.953 1.00 5.20 H new ATOM 1395 N THR C 73 33.972 2.700 -5.216 1.00 7.76 N ATOM 1396 CA THR C 73 33.755 1.311 -5.595 1.00 9.10 C ATOM 1397 C THR C 73 32.711 1.220 -6.704 1.00 11.95 C ATOM 1398 O THR C 73 33.034 0.910 -7.850 1.00 13.76 O ATOM 1399 CB THR C 73 33.308 0.491 -4.379 1.00 8.10 C ATOM 1400 OG1 THR C 73 34.378 0.332 -3.463 1.00 8.25 O ATOM 1401 CG2 THR C 73 32.798 -0.894 -4.730 1.00 8.14 C ATOM 0 H THR C 73 33.692 2.926 -4.262 1.00 7.76 H new ATOM 0 HA THR C 73 34.695 0.902 -5.966 1.00 9.10 H new ATOM 0 HB THR C 73 32.486 1.058 -3.941 1.00 8.10 H new ATOM 0 HG1 THR C 73 34.369 1.069 -2.818 1.00 8.25 H new ATOM 0 HG21 THR C 73 32.500 -1.414 -3.819 1.00 8.14 H new ATOM 0 HG22 THR C 73 31.939 -0.808 -5.396 1.00 8.14 H new ATOM 0 HG23 THR C 73 33.588 -1.457 -5.228 1.00 8.14 H new ATOM 1409 N LEU C 74 31.458 1.495 -6.354 1.00 12.60 N ATOM 1410 CA LEU C 74 30.368 1.445 -7.321 1.00 15.41 C ATOM 1411 C LEU C 74 30.721 2.222 -8.581 1.00 16.56 C ATOM 1412 O LEU C 74 30.343 1.838 -9.687 1.00 18.68 O ATOM 1413 CB LEU C 74 29.086 2.005 -6.706 1.00 16.47 C ATOM 1414 CG LEU C 74 28.413 1.108 -5.664 1.00 16.06 C ATOM 1415 CD1 LEU C 74 26.979 1.550 -5.447 1.00 18.35 C ATOM 1416 CD2 LEU C 74 28.460 -0.352 -6.093 1.00 15.98 C ATOM 0 H LEU C 74 31.173 1.754 -5.409 1.00 12.60 H new ATOM 0 HA LEU C 74 30.207 0.402 -7.593 1.00 15.41 H new ATOM 0 HB2 LEU C 74 29.314 2.964 -6.242 1.00 16.47 H new ATOM 0 HB3 LEU C 74 28.374 2.200 -7.507 1.00 16.47 H new ATOM 0 HG LEU C 74 28.958 1.201 -4.725 1.00 16.06 H new ATOM 0 HD11 LEU C 74 26.508 0.906 -4.704 1.00 18.35 H new ATOM 0 HD12 LEU C 74 26.966 2.581 -5.094 1.00 18.35 H new ATOM 0 HD13 LEU C 74 26.431 1.481 -6.387 1.00 18.35 H new ATOM 0 HD21 LEU C 74 27.976 -0.969 -5.336 1.00 15.98 H new ATOM 0 HD22 LEU C 74 27.940 -0.469 -7.044 1.00 15.98 H new ATOM 0 HD23 LEU C 74 29.498 -0.665 -6.206 1.00 15.98 H new ATOM 1428 N LYS C 75 31.455 3.313 -8.409 1.00 15.40 N ATOM 1429 CA LYS C 75 31.868 4.140 -9.534 1.00 16.79 C ATOM 1430 C LYS C 75 32.593 3.294 -10.573 1.00 16.09 C ATOM 1431 O LYS C 75 32.072 3.040 -11.660 1.00 17.38 O ATOM 1432 CB LYS C 75 32.782 5.271 -9.057 1.00 16.60 C ATOM 1433 CG LYS C 75 33.398 6.076 -10.188 1.00 16.39 C ATOM 1434 CD LYS C 75 33.489 7.553 -9.835 1.00 17.47 C ATOM 1435 CE LYS C 75 34.855 8.124 -10.180 1.00 19.39 C ATOM 1436 NZ LYS C 75 34.950 8.511 -11.615 1.00 21.51 N ATOM 0 H LYS C 75 31.777 3.646 -7.500 1.00 15.40 H new ATOM 0 HA LYS C 75 30.977 4.574 -9.988 1.00 16.79 H new ATOM 0 HB2 LYS C 75 32.211 5.941 -8.415 1.00 16.60 H new ATOM 0 HB3 LYS C 75 33.580 4.848 -8.447 1.00 16.60 H new ATOM 0 HG2 LYS C 75 34.394 5.692 -10.409 1.00 16.39 H new ATOM 0 HG3 LYS C 75 32.801 5.953 -11.091 1.00 16.39 H new ATOM 0 HD2 LYS C 75 32.717 8.105 -10.371 1.00 17.47 H new ATOM 0 HD3 LYS C 75 33.296 7.687 -8.771 1.00 17.47 H new ATOM 0 HE2 LYS C 75 35.052 8.995 -9.555 1.00 19.39 H new ATOM 0 HE3 LYS C 75 35.625 7.387 -9.951 1.00 19.39 H new ATOM 0 HZ1 LYS C 75 35.897 8.896 -11.809 1.00 21.51 H new ATOM 0 HZ2 LYS C 75 34.787 7.675 -12.212 1.00 21.51 H new ATOM 0 HZ3 LYS C 75 34.233 9.233 -11.828 1.00 21.51 H new ATOM 1450 N ASP C 76 33.797 2.861 -10.225 1.00 14.08 N ATOM 1451 CA ASP C 76 34.604 2.039 -11.118 1.00 13.27 C ATOM 1452 C ASP C 76 33.905 0.717 -11.426 1.00 14.20 C ATOM 1453 O ASP C 76 34.151 0.102 -12.464 1.00 14.70 O ATOM 1454 CB ASP C 76 35.974 1.769 -10.493 1.00 10.56 C ATOM 1455 CG ASP C 76 36.980 2.860 -10.811 1.00 10.62 C ATOM 1456 OD1 ASP C 76 37.624 2.781 -11.877 1.00 10.55 O ATOM 1457 OD2 ASP C 76 37.124 3.791 -9.990 1.00 10.86 O ATOM 0 H ASP C 76 34.238 3.066 -9.328 1.00 14.08 H new ATOM 0 HA ASP C 76 34.736 2.584 -12.052 1.00 13.27 H new ATOM 0 HB2 ASP C 76 35.866 1.682 -9.412 1.00 10.56 H new ATOM 0 HB3 ASP C 76 36.353 0.813 -10.854 1.00 10.56 H new ATOM 1462 N LEU C 77 33.037 0.282 -10.517 1.00 14.76 N ATOM 1463 CA LEU C 77 32.309 -0.967 -10.691 1.00 16.36 C ATOM 1464 C LEU C 77 31.244 -0.832 -11.780 1.00 18.50 C ATOM 1465 O LEU C 77 31.097 -1.713 -12.628 1.00 19.70 O ATOM 1466 CB LEU C 77 31.674 -1.393 -9.360 1.00 17.09 C ATOM 1467 CG LEU C 77 30.514 -2.391 -9.455 1.00 18.67 C ATOM 1468 CD1 LEU C 77 30.785 -3.439 -10.524 1.00 18.23 C ATOM 1469 CD2 LEU C 77 30.272 -3.052 -8.107 1.00 19.07 C ATOM 0 H LEU C 77 32.822 0.778 -9.652 1.00 14.76 H new ATOM 0 HA LEU C 77 33.012 -1.737 -11.007 1.00 16.36 H new ATOM 0 HB2 LEU C 77 32.452 -1.829 -8.733 1.00 17.09 H new ATOM 0 HB3 LEU C 77 31.317 -0.499 -8.849 1.00 17.09 H new ATOM 0 HG LEU C 77 29.615 -1.844 -9.740 1.00 18.67 H new ATOM 0 HD11 LEU C 77 29.948 -4.135 -10.572 1.00 18.23 H new ATOM 0 HD12 LEU C 77 30.906 -2.950 -11.491 1.00 18.23 H new ATOM 0 HD13 LEU C 77 31.696 -3.984 -10.277 1.00 18.23 H new ATOM 0 HD21 LEU C 77 29.446 -3.758 -8.191 1.00 19.07 H new ATOM 0 HD22 LEU C 77 31.172 -3.582 -7.795 1.00 19.07 H new ATOM 0 HD23 LEU C 77 30.025 -2.290 -7.367 1.00 19.07 H new ATOM 1481 N TYR C 78 30.508 0.273 -11.753 1.00 19.22 N ATOM 1482 CA TYR C 78 29.464 0.516 -12.741 1.00 21.44 C ATOM 1483 C TYR C 78 30.076 0.858 -14.096 1.00 23.30 C ATOM 1484 O TYR C 78 29.448 0.664 -15.137 1.00 25.31 O ATOM 1485 CB TYR C 78 28.540 1.646 -12.282 1.00 21.66 C ATOM 1486 CG TYR C 78 27.648 1.270 -11.119 1.00 21.74 C ATOM 1487 CD1 TYR C 78 27.117 -0.027 -11.001 1.00 22.72 C ATOM 1488 CD2 TYR C 78 27.326 2.211 -10.125 1.00 21.09 C ATOM 1489 CE1 TYR C 78 26.292 -0.375 -9.928 1.00 23.00 C ATOM 1490 CE2 TYR C 78 26.502 1.870 -9.049 1.00 21.61 C ATOM 1491 CZ TYR C 78 25.989 0.578 -8.955 1.00 22.53 C ATOM 1492 OH TYR C 78 25.179 0.239 -7.896 1.00 23.21 O ATOM 0 H TYR C 78 30.615 1.013 -11.059 1.00 19.22 H new ATOM 0 HA TYR C 78 28.876 -0.396 -12.844 1.00 21.44 H new ATOM 0 HB2 TYR C 78 29.146 2.507 -12.000 1.00 21.66 H new ATOM 0 HB3 TYR C 78 27.917 1.957 -13.121 1.00 21.66 H new ATOM 0 HD1 TYR C 78 27.351 -0.767 -11.752 1.00 22.72 H new ATOM 0 HD2 TYR C 78 27.722 3.213 -10.194 1.00 21.09 H new ATOM 0 HE1 TYR C 78 25.892 -1.375 -9.852 1.00 23.00 H new ATOM 0 HE2 TYR C 78 26.264 2.605 -8.294 1.00 21.61 H new ATOM 0 HH TYR C 78 24.281 0.604 -8.041 1.00 23.21 H new ATOM 1502 N LYS C 79 31.305 1.363 -14.076 1.00 22.70 N ATOM 1503 CA LYS C 79 32.000 1.720 -15.304 1.00 24.40 C ATOM 1504 C LYS C 79 32.481 0.467 -16.026 1.00 25.33 C ATOM 1505 O LYS C 79 32.567 0.437 -17.253 1.00 26.74 O ATOM 1506 CB LYS C 79 33.185 2.638 -15.000 1.00 23.99 C ATOM 1507 CG LYS C 79 32.988 4.066 -15.484 1.00 24.48 C ATOM 1508 CD LYS C 79 34.291 4.671 -15.981 1.00 25.37 C ATOM 1509 CE LYS C 79 34.371 6.156 -15.665 1.00 26.01 C ATOM 1510 NZ LYS C 79 35.443 6.834 -16.445 1.00 27.49 N ATOM 0 H LYS C 79 31.838 1.534 -13.223 1.00 22.70 H new ATOM 0 HA LYS C 79 31.303 2.252 -15.951 1.00 24.40 H new ATOM 0 HB2 LYS C 79 33.359 2.649 -13.924 1.00 23.99 H new ATOM 0 HB3 LYS C 79 34.081 2.226 -15.464 1.00 23.99 H new ATOM 0 HG2 LYS C 79 32.250 4.081 -16.286 1.00 24.48 H new ATOM 0 HG3 LYS C 79 32.589 4.675 -14.672 1.00 24.48 H new ATOM 0 HD2 LYS C 79 35.133 4.154 -15.520 1.00 25.37 H new ATOM 0 HD3 LYS C 79 34.376 4.522 -17.057 1.00 25.37 H new ATOM 0 HE2 LYS C 79 33.412 6.625 -15.883 1.00 26.01 H new ATOM 0 HE3 LYS C 79 34.557 6.291 -14.599 1.00 26.01 H new ATOM 0 HZ1 LYS C 79 35.464 7.845 -16.200 1.00 27.49 H new ATOM 0 HZ2 LYS C 79 36.362 6.404 -16.218 1.00 27.49 H new ATOM 0 HZ3 LYS C 79 35.252 6.728 -17.462 1.00 27.49 H new ATOM 1524 N LYS C 80 32.790 -0.569 -15.250 1.00 24.68 N ATOM 1525 CA LYS C 80 33.257 -1.829 -15.808 1.00 25.43 C ATOM 1526 C LYS C 80 32.122 -2.564 -16.513 1.00 27.66 C ATOM 1527 O LYS C 80 32.338 -3.255 -17.508 1.00 29.02 O ATOM 1528 CB LYS C 80 33.842 -2.712 -14.702 1.00 23.36 C ATOM 1529 CG LYS C 80 34.903 -3.682 -15.194 1.00 21.27 C ATOM 1530 CD LYS C 80 36.016 -3.853 -14.172 1.00 19.39 C ATOM 1531 CE LYS C 80 37.046 -4.871 -14.636 1.00 17.79 C ATOM 1532 NZ LYS C 80 36.406 -6.114 -15.148 1.00 19.22 N ATOM 0 H LYS C 80 32.724 -0.558 -14.232 1.00 24.68 H new ATOM 0 HA LYS C 80 34.034 -1.610 -16.540 1.00 25.43 H new ATOM 0 HB2 LYS C 80 34.274 -2.075 -13.931 1.00 23.36 H new ATOM 0 HB3 LYS C 80 33.035 -3.276 -14.234 1.00 23.36 H new ATOM 0 HG2 LYS C 80 34.446 -4.649 -15.401 1.00 21.27 H new ATOM 0 HG3 LYS C 80 35.322 -3.320 -16.133 1.00 21.27 H new ATOM 0 HD2 LYS C 80 36.503 -2.893 -13.999 1.00 19.39 H new ATOM 0 HD3 LYS C 80 35.592 -4.171 -13.220 1.00 19.39 H new ATOM 0 HE2 LYS C 80 37.664 -4.431 -15.419 1.00 17.79 H new ATOM 0 HE3 LYS C 80 37.710 -5.119 -13.808 1.00 17.79 H new ATOM 0 HZ1 LYS C 80 37.118 -6.869 -15.215 1.00 19.22 H new ATOM 0 HZ2 LYS C 80 35.649 -6.408 -14.498 1.00 19.22 H new ATOM 0 HZ3 LYS C 80 36.003 -5.934 -16.090 1.00 19.22 H new ATOM 1546 N THR C 81 30.909 -2.408 -15.989 1.00 28.17 N ATOM 1547 CA THR C 81 29.737 -3.055 -16.567 1.00 30.46 C ATOM 1548 C THR C 81 29.585 -2.691 -18.039 1.00 32.80 C ATOM 1549 O THR C 81 29.898 -3.488 -18.924 1.00 33.46 O ATOM 1550 CB THR C 81 28.477 -2.656 -15.798 1.00 31.23 C ATOM 1551 OG1 THR C 81 28.767 -1.646 -14.848 1.00 29.93 O ATOM 1552 CG2 THR C 81 27.835 -3.810 -15.057 1.00 30.89 C ATOM 0 H THR C 81 30.713 -1.839 -15.165 1.00 28.17 H new ATOM 0 HA THR C 81 29.874 -4.134 -16.491 1.00 30.46 H new ATOM 0 HB THR C 81 27.780 -2.298 -16.556 1.00 31.23 H new ATOM 0 HG1 THR C 81 28.716 -0.767 -15.279 1.00 29.93 H new ATOM 0 HG21 THR C 81 26.947 -3.457 -14.533 1.00 30.89 H new ATOM 0 HG22 THR C 81 27.553 -4.587 -15.768 1.00 30.89 H new ATOM 0 HG23 THR C 81 28.543 -4.218 -14.336 1.00 30.89 H new ATOM 1616 N ASP D 54 26.453 7.043 -17.327 1.00 34.71 N ATOM 1617 CA ASP D 54 25.446 6.705 -16.329 1.00 32.03 C ATOM 1618 C ASP D 54 26.060 5.923 -15.170 1.00 31.66 C ATOM 1619 O ASP D 54 25.502 5.883 -14.073 1.00 30.97 O ATOM 1620 CB ASP D 54 24.319 5.890 -16.967 1.00 31.46 C ATOM 1621 CG ASP D 54 23.018 6.665 -17.046 1.00 29.08 C ATOM 1622 OD1 ASP D 54 23.012 7.754 -17.659 1.00 28.68 O ATOM 1623 OD2 ASP D 54 22.006 6.184 -16.495 1.00 27.75 O ATOM 0 HA ASP D 54 25.038 7.636 -15.936 1.00 32.03 H new ATOM 0 HB2 ASP D 54 24.618 5.584 -17.970 1.00 31.46 H new ATOM 0 HB3 ASP D 54 24.161 4.979 -16.390 1.00 31.46 H new ATOM 1628 N ALA D 55 27.208 5.300 -15.419 1.00 32.15 N ATOM 1629 CA ALA D 55 27.891 4.520 -14.393 1.00 31.87 C ATOM 1630 C ALA D 55 28.222 5.380 -13.178 1.00 29.97 C ATOM 1631 O ALA D 55 27.991 4.975 -12.038 1.00 28.64 O ATOM 1632 CB ALA D 55 29.158 3.896 -14.961 1.00 33.95 C ATOM 0 H ALA D 55 27.684 5.320 -16.321 1.00 32.15 H new ATOM 0 HA ALA D 55 27.220 3.724 -14.070 1.00 31.87 H new ATOM 0 HB1 ALA D 55 29.658 3.317 -14.185 1.00 33.95 H new ATOM 0 HB2 ALA D 55 28.900 3.241 -15.793 1.00 33.95 H new ATOM 0 HB3 ALA D 55 29.825 4.683 -15.313 1.00 33.95 H new ATOM 1638 N GLU D 56 28.767 6.565 -13.428 1.00 29.96 N ATOM 1639 CA GLU D 56 29.132 7.482 -12.354 1.00 28.39 C ATOM 1640 C GLU D 56 27.893 7.982 -11.618 1.00 26.21 C ATOM 1641 O GLU D 56 27.784 7.845 -10.400 1.00 26.09 O ATOM 1642 CB GLU D 56 29.918 8.669 -12.915 1.00 29.26 C ATOM 1643 CG GLU D 56 30.790 9.364 -11.883 1.00 30.32 C ATOM 1644 CD GLU D 56 30.456 10.837 -11.737 1.00 29.36 C ATOM 1645 OE1 GLU D 56 29.333 11.150 -11.286 1.00 27.56 O ATOM 1646 OE2 GLU D 56 31.318 11.677 -12.071 1.00 30.49 O ATOM 0 H GLU D 56 28.966 6.914 -14.366 1.00 29.96 H new ATOM 0 HA GLU D 56 29.759 6.940 -11.646 1.00 28.39 H new ATOM 0 HB2 GLU D 56 30.547 8.323 -13.735 1.00 29.26 H new ATOM 0 HB3 GLU D 56 29.218 9.392 -13.333 1.00 29.26 H new ATOM 0 HG2 GLU D 56 30.670 8.870 -10.919 1.00 30.32 H new ATOM 0 HG3 GLU D 56 31.837 9.259 -12.167 1.00 30.32 H new ATOM 1653 N ARG D 57 26.962 8.566 -12.366 1.00 24.63 N ATOM 1654 CA ARG D 57 25.731 9.091 -11.787 1.00 22.48 C ATOM 1655 C ARG D 57 25.065 8.054 -10.885 1.00 19.97 C ATOM 1656 O ARG D 57 24.421 8.401 -9.895 1.00 18.67 O ATOM 1657 CB ARG D 57 24.765 9.519 -12.893 1.00 22.32 C ATOM 1658 CG ARG D 57 25.342 10.565 -13.833 1.00 24.27 C ATOM 1659 CD ARG D 57 24.892 11.965 -13.451 1.00 24.03 C ATOM 1660 NE ARG D 57 25.374 12.971 -14.394 1.00 26.63 N ATOM 1661 CZ ARG D 57 25.187 14.277 -14.236 1.00 27.28 C ATOM 1662 NH1 ARG D 57 24.534 14.733 -13.176 1.00 25.61 N ATOM 1663 NH2 ARG D 57 25.653 15.129 -15.139 1.00 29.75 N ATOM 0 H ARG D 57 27.037 8.688 -13.376 1.00 24.63 H new ATOM 0 HA ARG D 57 25.987 9.960 -11.181 1.00 22.48 H new ATOM 0 HB2 ARG D 57 24.477 8.642 -13.472 1.00 22.32 H new ATOM 0 HB3 ARG D 57 23.856 9.913 -12.438 1.00 22.32 H new ATOM 0 HG2 ARG D 57 26.431 10.513 -13.813 1.00 24.27 H new ATOM 0 HG3 ARG D 57 25.032 10.348 -14.855 1.00 24.27 H new ATOM 0 HD2 ARG D 57 23.803 11.998 -13.411 1.00 24.03 H new ATOM 0 HD3 ARG D 57 25.255 12.202 -12.451 1.00 24.03 H new ATOM 0 HE ARG D 57 25.882 12.653 -15.219 1.00 26.63 H new ATOM 0 HH11 ARG D 57 24.174 14.081 -12.479 1.00 25.61 H new ATOM 0 HH12 ARG D 57 24.392 15.736 -13.057 1.00 25.61 H new ATOM 0 HH21 ARG D 57 26.156 14.782 -15.956 1.00 29.75 H new ATOM 0 HH22 ARG D 57 25.509 16.131 -15.017 1.00 29.75 H new ATOM 1677 N LEU D 58 25.222 6.783 -11.237 1.00 19.42 N ATOM 1678 CA LEU D 58 24.634 5.696 -10.462 1.00 17.10 C ATOM 1679 C LEU D 58 25.324 5.550 -9.112 1.00 16.51 C ATOM 1680 O LEU D 58 24.698 5.696 -8.063 1.00 15.84 O ATOM 1681 CB LEU D 58 24.728 4.381 -11.236 1.00 16.71 C ATOM 1682 CG LEU D 58 23.694 4.208 -12.348 1.00 17.13 C ATOM 1683 CD1 LEU D 58 24.172 3.184 -13.363 1.00 17.82 C ATOM 1684 CD2 LEU D 58 22.350 3.798 -11.764 1.00 15.74 C ATOM 0 H LEU D 58 25.752 6.480 -12.054 1.00 19.42 H new ATOM 0 HA LEU D 58 23.585 5.937 -10.289 1.00 17.10 H new ATOM 0 HB2 LEU D 58 25.724 4.304 -11.672 1.00 16.71 H new ATOM 0 HB3 LEU D 58 24.624 3.555 -10.532 1.00 16.71 H new ATOM 0 HG LEU D 58 23.570 5.163 -12.858 1.00 17.13 H new ATOM 0 HD11 LEU D 58 23.424 3.073 -14.148 1.00 17.82 H new ATOM 0 HD12 LEU D 58 25.112 3.518 -13.802 1.00 17.82 H new ATOM 0 HD13 LEU D 58 24.324 2.225 -12.868 1.00 17.82 H new ATOM 0 HD21 LEU D 58 21.625 3.679 -12.569 1.00 15.74 H new ATOM 0 HD22 LEU D 58 22.458 2.854 -11.230 1.00 15.74 H new ATOM 0 HD23 LEU D 58 22.003 4.567 -11.074 1.00 15.74 H new ATOM 1696 N ALA D 59 26.621 5.263 -9.151 1.00 16.90 N ATOM 1697 CA ALA D 59 27.417 5.092 -7.938 1.00 16.64 C ATOM 1698 C ALA D 59 27.097 6.170 -6.908 1.00 17.53 C ATOM 1699 O ALA D 59 27.207 5.945 -5.703 1.00 18.31 O ATOM 1700 CB ALA D 59 28.900 5.106 -8.275 1.00 17.23 C ATOM 0 H ALA D 59 27.148 5.143 -10.016 1.00 16.90 H new ATOM 0 HA ALA D 59 27.162 4.126 -7.502 1.00 16.64 H new ATOM 0 HB1 ALA D 59 29.482 4.978 -7.362 1.00 17.23 H new ATOM 0 HB2 ALA D 59 29.124 4.293 -8.965 1.00 17.23 H new ATOM 0 HB3 ALA D 59 29.159 6.058 -8.739 1.00 17.23 H new ATOM 1706 N ASP D 60 26.698 7.339 -7.393 1.00 17.75 N ATOM 1707 CA ASP D 60 26.357 8.450 -6.514 1.00 19.06 C ATOM 1708 C ASP D 60 25.014 8.210 -5.834 1.00 17.69 C ATOM 1709 O ASP D 60 24.874 8.407 -4.627 1.00 18.40 O ATOM 1710 CB ASP D 60 26.317 9.760 -7.303 1.00 20.54 C ATOM 1711 CG ASP D 60 26.658 10.962 -6.443 1.00 21.47 C ATOM 1712 OD1 ASP D 60 26.465 10.885 -5.211 1.00 20.75 O ATOM 1713 OD2 ASP D 60 27.118 11.980 -7.001 1.00 23.15 O ATOM 0 H ASP D 60 26.603 7.542 -8.388 1.00 17.75 H new ATOM 0 HA ASP D 60 27.126 8.523 -5.745 1.00 19.06 H new ATOM 0 HB2 ASP D 60 27.018 9.701 -8.136 1.00 20.54 H new ATOM 0 HB3 ASP D 60 25.324 9.893 -7.732 1.00 20.54 H new ATOM 1718 N GLU D 61 24.028 7.781 -6.616 1.00 15.97 N ATOM 1719 CA GLU D 61 22.697 7.511 -6.086 1.00 14.90 C ATOM 1720 C GLU D 61 22.746 6.405 -5.037 1.00 13.61 C ATOM 1721 O GLU D 61 21.984 6.419 -4.070 1.00 13.61 O ATOM 1722 CB GLU D 61 21.743 7.117 -7.216 1.00 13.78 C ATOM 1723 CG GLU D 61 21.169 8.306 -7.970 1.00 13.39 C ATOM 1724 CD GLU D 61 19.958 8.903 -7.280 1.00 12.85 C ATOM 1725 OE1 GLU D 61 18.837 8.401 -7.509 1.00 11.13 O ATOM 1726 OE2 GLU D 61 20.130 9.873 -6.512 1.00 14.55 O ATOM 0 H GLU D 61 24.126 7.613 -7.617 1.00 15.97 H new ATOM 0 HA GLU D 61 22.330 8.422 -5.613 1.00 14.90 H new ATOM 0 HB2 GLU D 61 22.272 6.473 -7.919 1.00 13.78 H new ATOM 0 HB3 GLU D 61 20.923 6.531 -6.801 1.00 13.78 H new ATOM 0 HG2 GLU D 61 21.938 9.072 -8.074 1.00 13.39 H new ATOM 0 HG3 GLU D 61 20.892 7.994 -8.977 1.00 13.39 H new ATOM 1733 N GLN D 62 23.650 5.451 -5.234 1.00 12.79 N ATOM 1734 CA GLN D 62 23.801 4.339 -4.303 1.00 12.01 C ATOM 1735 C GLN D 62 24.412 4.814 -2.989 1.00 11.11 C ATOM 1736 O GLN D 62 23.890 4.526 -1.912 1.00 10.61 O ATOM 1737 CB GLN D 62 24.677 3.247 -4.916 1.00 12.45 C ATOM 1738 CG GLN D 62 24.488 3.072 -6.415 1.00 14.73 C ATOM 1739 CD GLN D 62 23.030 3.098 -6.830 1.00 14.45 C ATOM 1740 OE1 GLN D 62 22.132 3.053 -5.991 1.00 14.15 O ATOM 1741 NE2 GLN D 62 22.789 3.172 -8.135 1.00 14.94 N ATOM 0 H GLN D 62 24.288 5.426 -6.029 1.00 12.79 H new ATOM 0 HA GLN D 62 22.811 3.930 -4.101 1.00 12.01 H new ATOM 0 HB2 GLN D 62 25.723 3.480 -4.717 1.00 12.45 H new ATOM 0 HB3 GLN D 62 24.461 2.301 -4.420 1.00 12.45 H new ATOM 0 HG2 GLN D 62 25.024 3.863 -6.939 1.00 14.73 H new ATOM 0 HG3 GLN D 62 24.932 2.126 -6.725 1.00 14.73 H new ATOM 0 HE21 GLN D 62 23.565 3.207 -8.796 1.00 14.94 H new ATOM 0 HE22 GLN D 62 21.828 3.194 -8.476 1.00 14.94 H new ATOM 1750 N SER D 63 25.521 5.544 -3.083 1.00 11.19 N ATOM 1751 CA SER D 63 26.197 6.059 -1.898 1.00 10.82 C ATOM 1752 C SER D 63 25.212 6.790 -0.994 1.00 8.63 C ATOM 1753 O SER D 63 25.040 6.434 0.171 1.00 7.17 O ATOM 1754 CB SER D 63 27.335 6.999 -2.297 1.00 13.17 C ATOM 1755 OG SER D 63 27.970 6.558 -3.484 1.00 14.24 O ATOM 0 H SER D 63 25.969 5.791 -3.966 1.00 11.19 H new ATOM 0 HA SER D 63 26.614 5.214 -1.350 1.00 10.82 H new ATOM 0 HB2 SER D 63 26.944 8.006 -2.443 1.00 13.17 H new ATOM 0 HB3 SER D 63 28.065 7.054 -1.490 1.00 13.17 H new ATOM 0 HG SER D 63 27.498 6.922 -4.262 1.00 14.24 H new ATOM 1761 N GLU D 64 24.562 7.811 -1.544 1.00 8.83 N ATOM 1762 CA GLU D 64 23.589 8.586 -0.793 1.00 7.13 C ATOM 1763 C GLU D 64 22.552 7.669 -0.153 1.00 5.35 C ATOM 1764 O GLU D 64 22.050 7.945 0.937 1.00 5.57 O ATOM 1765 CB GLU D 64 22.902 9.594 -1.714 1.00 8.56 C ATOM 1766 CG GLU D 64 22.055 8.948 -2.799 1.00 10.11 C ATOM 1767 CD GLU D 64 21.123 9.933 -3.475 1.00 11.16 C ATOM 1768 OE1 GLU D 64 21.609 10.980 -3.952 1.00 12.38 O ATOM 1769 OE2 GLU D 64 19.906 9.657 -3.529 1.00 10.79 O ATOM 0 H GLU D 64 24.694 8.118 -2.508 1.00 8.83 H new ATOM 0 HA GLU D 64 24.110 9.124 -0.001 1.00 7.13 H new ATOM 0 HB2 GLU D 64 22.271 10.250 -1.114 1.00 8.56 H new ATOM 0 HB3 GLU D 64 23.660 10.222 -2.182 1.00 8.56 H new ATOM 0 HG2 GLU D 64 22.709 8.500 -3.547 1.00 10.11 H new ATOM 0 HG3 GLU D 64 21.469 8.139 -2.363 1.00 10.11 H new ATOM 1776 N LEU D 65 22.239 6.574 -0.840 1.00 3.95 N ATOM 1777 CA LEU D 65 21.269 5.611 -0.340 1.00 2.93 C ATOM 1778 C LEU D 65 21.824 4.866 0.869 1.00 3.23 C ATOM 1779 O LEU D 65 21.139 4.701 1.877 1.00 3.74 O ATOM 1780 CB LEU D 65 20.888 4.618 -1.441 1.00 3.79 C ATOM 1781 CG LEU D 65 19.395 4.556 -1.770 1.00 4.73 C ATOM 1782 CD1 LEU D 65 19.186 4.161 -3.223 1.00 5.69 C ATOM 1783 CD2 LEU D 65 18.685 3.582 -0.843 1.00 4.36 C ATOM 0 H LEU D 65 22.644 6.333 -1.745 1.00 3.95 H new ATOM 0 HA LEU D 65 20.376 6.154 -0.032 1.00 2.93 H new ATOM 0 HB2 LEU D 65 21.434 4.878 -2.348 1.00 3.79 H new ATOM 0 HB3 LEU D 65 21.220 3.624 -1.143 1.00 3.79 H new ATOM 0 HG LEU D 65 18.967 5.547 -1.619 1.00 4.73 H new ATOM 0 HD11 LEU D 65 18.118 4.122 -3.439 1.00 5.69 H new ATOM 0 HD12 LEU D 65 19.661 4.897 -3.872 1.00 5.69 H new ATOM 0 HD13 LEU D 65 19.628 3.181 -3.401 1.00 5.69 H new ATOM 0 HD21 LEU D 65 17.624 3.551 -1.091 1.00 4.36 H new ATOM 0 HD22 LEU D 65 19.115 2.587 -0.962 1.00 4.36 H new ATOM 0 HD23 LEU D 65 18.806 3.909 0.190 1.00 4.36 H new ATOM 1795 N VAL D 66 23.072 4.420 0.758 1.00 3.69 N ATOM 1796 CA VAL D 66 23.722 3.696 1.842 1.00 4.08 C ATOM 1797 C VAL D 66 23.877 4.579 3.075 1.00 5.35 C ATOM 1798 O VAL D 66 23.796 4.102 4.206 1.00 5.98 O ATOM 1799 CB VAL D 66 25.109 3.178 1.420 1.00 6.05 C ATOM 1800 CG1 VAL D 66 25.670 2.231 2.471 1.00 6.54 C ATOM 1801 CG2 VAL D 66 25.033 2.494 0.063 1.00 7.43 C ATOM 0 H VAL D 66 23.652 4.548 -0.071 1.00 3.69 H new ATOM 0 HA VAL D 66 23.083 2.846 2.083 1.00 4.08 H new ATOM 0 HB VAL D 66 25.784 4.030 1.336 1.00 6.05 H new ATOM 0 HG11 VAL D 66 26.651 1.876 2.154 1.00 6.54 H new ATOM 0 HG12 VAL D 66 25.764 2.757 3.421 1.00 6.54 H new ATOM 0 HG13 VAL D 66 24.998 1.381 2.591 1.00 6.54 H new ATOM 0 HG21 VAL D 66 26.023 2.134 -0.219 1.00 7.43 H new ATOM 0 HG22 VAL D 66 24.343 1.652 0.118 1.00 7.43 H new ATOM 0 HG23 VAL D 66 24.679 3.205 -0.684 1.00 7.43 H new ATOM 1811 N LYS D 67 24.098 5.869 2.848 1.00 6.79 N ATOM 1812 CA LYS D 67 24.262 6.819 3.940 1.00 8.99 C ATOM 1813 C LYS D 67 23.002 6.881 4.797 1.00 9.59 C ATOM 1814 O LYS D 67 23.051 6.665 6.008 1.00 10.70 O ATOM 1815 CB LYS D 67 24.591 8.208 3.392 1.00 11.58 C ATOM 1816 CG LYS D 67 24.887 9.236 4.472 1.00 13.01 C ATOM 1817 CD LYS D 67 23.999 10.463 4.333 1.00 15.57 C ATOM 1818 CE LYS D 67 24.811 11.703 3.999 1.00 17.94 C ATOM 1819 NZ LYS D 67 25.040 11.839 2.533 1.00 18.63 N ATOM 0 H LYS D 67 24.168 6.280 1.917 1.00 6.79 H new ATOM 0 HA LYS D 67 25.089 6.480 4.564 1.00 8.99 H new ATOM 0 HB2 LYS D 67 25.453 8.133 2.729 1.00 11.58 H new ATOM 0 HB3 LYS D 67 23.754 8.559 2.789 1.00 11.58 H new ATOM 0 HG2 LYS D 67 24.737 8.787 5.454 1.00 13.01 H new ATOM 0 HG3 LYS D 67 25.934 9.535 4.414 1.00 13.01 H new ATOM 0 HD2 LYS D 67 23.258 10.291 3.552 1.00 15.57 H new ATOM 0 HD3 LYS D 67 23.452 10.624 5.262 1.00 15.57 H new ATOM 0 HE2 LYS D 67 24.292 12.587 4.369 1.00 17.94 H new ATOM 0 HE3 LYS D 67 25.771 11.658 4.514 1.00 17.94 H new ATOM 0 HZ1 LYS D 67 25.746 12.583 2.359 1.00 18.63 H new ATOM 0 HZ2 LYS D 67 25.387 10.936 2.151 1.00 18.63 H new ATOM 0 HZ3 LYS D 67 24.147 12.093 2.064 1.00 18.63 H new ATOM 1833 N LYS D 68 21.873 7.175 4.159 1.00 9.53 N ATOM 1834 CA LYS D 68 20.600 7.263 4.863 1.00 10.81 C ATOM 1835 C LYS D 68 20.329 5.987 5.654 1.00 10.34 C ATOM 1836 O LYS D 68 19.756 6.029 6.742 1.00 10.93 O ATOM 1837 CB LYS D 68 19.462 7.513 3.872 1.00 10.50 C ATOM 1838 CG LYS D 68 18.669 8.777 4.161 1.00 12.32 C ATOM 1839 CD LYS D 68 18.517 9.636 2.917 1.00 13.80 C ATOM 1840 CE LYS D 68 17.166 10.331 2.881 1.00 15.87 C ATOM 1841 NZ LYS D 68 16.991 11.139 1.642 1.00 17.10 N ATOM 0 H LYS D 68 21.815 7.356 3.157 1.00 9.53 H new ATOM 0 HA LYS D 68 20.655 8.099 5.561 1.00 10.81 H new ATOM 0 HB2 LYS D 68 19.875 7.576 2.865 1.00 10.50 H new ATOM 0 HB3 LYS D 68 18.785 6.659 3.886 1.00 10.50 H new ATOM 0 HG2 LYS D 68 17.684 8.510 4.543 1.00 12.32 H new ATOM 0 HG3 LYS D 68 19.169 9.351 4.942 1.00 12.32 H new ATOM 0 HD2 LYS D 68 19.312 10.382 2.889 1.00 13.80 H new ATOM 0 HD3 LYS D 68 18.632 9.015 2.029 1.00 13.80 H new ATOM 0 HE2 LYS D 68 16.373 9.586 2.944 1.00 15.87 H new ATOM 0 HE3 LYS D 68 17.067 10.977 3.753 1.00 15.87 H new ATOM 0 HZ1 LYS D 68 16.057 11.597 1.655 1.00 17.10 H new ATOM 0 HZ2 LYS D 68 17.733 11.866 1.594 1.00 17.10 H new ATOM 0 HZ3 LYS D 68 17.060 10.519 0.810 1.00 17.10 H new ATOM 1855 N MET D 69 20.747 4.854 5.098 1.00 9.87 N ATOM 1856 CA MET D 69 20.550 3.565 5.750 1.00 10.40 C ATOM 1857 C MET D 69 21.385 3.466 7.022 1.00 11.82 C ATOM 1858 O MET D 69 20.877 3.115 8.088 1.00 12.79 O ATOM 1859 CB MET D 69 20.921 2.429 4.793 1.00 8.44 C ATOM 1860 CG MET D 69 20.870 1.051 5.433 1.00 9.18 C ATOM 1861 SD MET D 69 21.634 -0.218 4.407 1.00 8.94 S ATOM 1862 CE MET D 69 23.290 0.441 4.229 1.00 7.02 C ATOM 0 H MET D 69 21.224 4.803 4.198 1.00 9.87 H new ATOM 0 HA MET D 69 19.498 3.477 6.021 1.00 10.40 H new ATOM 0 HB2 MET D 69 20.244 2.449 3.939 1.00 8.44 H new ATOM 0 HB3 MET D 69 21.925 2.604 4.407 1.00 8.44 H new ATOM 0 HG2 MET D 69 21.374 1.084 6.399 1.00 9.18 H new ATOM 0 HG3 MET D 69 19.831 0.782 5.624 1.00 9.18 H new ATOM 0 HE1 MET D 69 23.954 -0.339 3.855 1.00 7.02 H new ATOM 0 HE2 MET D 69 23.276 1.274 3.526 1.00 7.02 H new ATOM 0 HE3 MET D 69 23.649 0.789 5.197 1.00 7.02 H new ATOM 1872 N VAL D 70 22.672 3.775 6.901 1.00 12.00 N ATOM 1873 CA VAL D 70 23.581 3.720 8.038 1.00 13.38 C ATOM 1874 C VAL D 70 23.348 4.892 8.987 1.00 14.98 C ATOM 1875 O VAL D 70 23.659 4.812 10.175 1.00 15.42 O ATOM 1876 CB VAL D 70 25.050 3.726 7.579 1.00 11.74 C ATOM 1877 CG1 VAL D 70 25.986 3.612 8.771 1.00 11.58 C ATOM 1878 CG2 VAL D 70 25.298 2.599 6.586 1.00 10.06 C ATOM 0 H VAL D 70 23.108 4.066 6.026 1.00 12.00 H new ATOM 0 HA VAL D 70 23.376 2.788 8.564 1.00 13.38 H new ATOM 0 HB VAL D 70 25.253 4.674 7.081 1.00 11.74 H new ATOM 0 HG11 VAL D 70 27.019 3.618 8.424 1.00 11.58 H new ATOM 0 HG12 VAL D 70 25.824 4.455 9.443 1.00 11.58 H new ATOM 0 HG13 VAL D 70 25.787 2.681 9.302 1.00 11.58 H new ATOM 0 HG21 VAL D 70 26.341 2.615 6.270 1.00 10.06 H new ATOM 0 HG22 VAL D 70 25.077 1.642 7.059 1.00 10.06 H new ATOM 0 HG23 VAL D 70 24.653 2.731 5.717 1.00 10.06 H new ATOM 1888 N PHE D 71 22.796 5.978 8.455 1.00 16.22 N ATOM 1889 CA PHE D 71 22.518 7.164 9.257 1.00 18.25 C ATOM 1890 C PHE D 71 21.541 6.836 10.381 1.00 19.68 C ATOM 1891 O PHE D 71 21.747 7.225 11.531 1.00 20.18 O ATOM 1892 CB PHE D 71 21.950 8.279 8.378 1.00 19.93 C ATOM 1893 CG PHE D 71 21.713 9.567 9.117 1.00 21.28 C ATOM 1894 CD1 PHE D 71 22.743 10.164 9.859 1.00 21.16 C ATOM 1895 CD2 PHE D 71 20.460 10.192 9.075 1.00 22.95 C ATOM 1896 CE1 PHE D 71 22.525 11.362 10.546 1.00 22.73 C ATOM 1897 CE2 PHE D 71 20.236 11.390 9.759 1.00 24.40 C ATOM 1898 CZ PHE D 71 21.270 11.975 10.495 1.00 24.30 C ATOM 0 H PHE D 71 22.533 6.061 7.473 1.00 16.22 H new ATOM 0 HA PHE D 71 23.454 7.505 9.699 1.00 18.25 H new ATOM 0 HB2 PHE D 71 22.637 8.465 7.552 1.00 19.93 H new ATOM 0 HB3 PHE D 71 21.010 7.942 7.941 1.00 19.93 H new ATOM 0 HD1 PHE D 71 23.714 9.693 9.900 1.00 21.16 H new ATOM 0 HD2 PHE D 71 19.658 9.743 8.508 1.00 22.95 H new ATOM 0 HE1 PHE D 71 23.325 11.813 11.115 1.00 22.73 H new ATOM 0 HE2 PHE D 71 19.266 11.863 9.719 1.00 24.40 H new ATOM 0 HZ PHE D 71 21.099 12.901 11.024 1.00 24.30 H new ATOM 1908 N ASP D 72 20.478 6.113 10.041 1.00 20.59 N ATOM 1909 CA ASP D 72 19.471 5.728 11.024 1.00 22.32 C ATOM 1910 C ASP D 72 20.042 4.710 12.005 1.00 21.11 C ATOM 1911 O ASP D 72 19.786 4.782 13.208 1.00 21.07 O ATOM 1912 CB ASP D 72 18.241 5.147 10.326 1.00 23.97 C ATOM 1913 CG ASP D 72 16.975 5.334 11.140 1.00 26.57 C ATOM 1914 OD1 ASP D 72 17.081 5.498 12.374 1.00 27.10 O ATOM 1915 OD2 ASP D 72 15.877 5.316 10.543 1.00 28.21 O ATOM 0 H ASP D 72 20.292 5.783 9.094 1.00 20.59 H new ATOM 0 HA ASP D 72 19.175 6.619 11.578 1.00 22.32 H new ATOM 0 HB2 ASP D 72 18.119 5.624 9.354 1.00 23.97 H new ATOM 0 HB3 ASP D 72 18.398 4.084 10.142 1.00 23.97 H new ATOM 1920 N THR D 73 20.819 3.766 11.486 1.00 20.28 N ATOM 1921 CA THR D 73 21.430 2.737 12.320 1.00 19.23 C ATOM 1922 C THR D 73 22.278 3.365 13.418 1.00 19.47 C ATOM 1923 O THR D 73 22.198 2.970 14.582 1.00 20.27 O ATOM 1924 CB THR D 73 22.290 1.802 11.467 1.00 16.55 C ATOM 1925 OG1 THR D 73 21.488 1.087 10.544 1.00 16.18 O ATOM 1926 CG2 THR D 73 23.062 0.789 12.287 1.00 16.03 C ATOM 0 H THR D 73 21.041 3.692 10.493 1.00 20.28 H new ATOM 0 HA THR D 73 20.632 2.159 12.786 1.00 19.23 H new ATOM 0 HB THR D 73 23.001 2.449 10.953 1.00 16.55 H new ATOM 0 HG1 THR D 73 21.302 1.653 9.766 1.00 16.18 H new ATOM 0 HG21 THR D 73 23.651 0.157 11.623 1.00 16.03 H new ATOM 0 HG22 THR D 73 23.726 1.310 12.977 1.00 16.03 H new ATOM 0 HG23 THR D 73 22.364 0.171 12.852 1.00 16.03 H new ATOM 1934 N LEU D 74 23.090 4.347 13.041 1.00 18.96 N ATOM 1935 CA LEU D 74 23.953 5.033 13.995 1.00 19.32 C ATOM 1936 C LEU D 74 23.124 5.790 15.026 1.00 21.68 C ATOM 1937 O LEU D 74 23.475 5.840 16.204 1.00 22.27 O ATOM 1938 CB LEU D 74 24.890 5.996 13.265 1.00 17.36 C ATOM 1939 CG LEU D 74 25.973 5.327 12.419 1.00 15.63 C ATOM 1940 CD1 LEU D 74 26.609 6.335 11.473 1.00 16.23 C ATOM 1941 CD2 LEU D 74 27.028 4.689 13.311 1.00 13.41 C ATOM 0 H LEU D 74 23.168 4.685 12.082 1.00 18.96 H new ATOM 0 HA LEU D 74 24.550 4.284 14.515 1.00 19.32 H new ATOM 0 HB2 LEU D 74 24.293 6.641 12.620 1.00 17.36 H new ATOM 0 HB3 LEU D 74 25.371 6.639 14.002 1.00 17.36 H new ATOM 0 HG LEU D 74 25.509 4.542 11.822 1.00 15.63 H new ATOM 0 HD11 LEU D 74 27.378 5.841 10.879 1.00 16.23 H new ATOM 0 HD12 LEU D 74 25.846 6.745 10.811 1.00 16.23 H new ATOM 0 HD13 LEU D 74 27.060 7.142 12.051 1.00 16.23 H new ATOM 0 HD21 LEU D 74 27.791 4.217 12.692 1.00 13.41 H new ATOM 0 HD22 LEU D 74 27.489 5.455 13.934 1.00 13.41 H new ATOM 0 HD23 LEU D 74 26.561 3.937 13.947 1.00 13.41 H new ATOM 1953 N LYS D 75 22.017 6.375 14.575 1.00 23.10 N ATOM 1954 CA LYS D 75 21.137 7.125 15.464 1.00 25.53 C ATOM 1955 C LYS D 75 20.774 6.288 16.685 1.00 27.33 C ATOM 1956 O LYS D 75 20.755 6.787 17.810 1.00 29.18 O ATOM 1957 CB LYS D 75 19.869 7.550 14.723 1.00 25.75 C ATOM 1958 CG LYS D 75 19.059 8.604 15.462 1.00 26.58 C ATOM 1959 CD LYS D 75 18.721 9.780 14.561 1.00 26.22 C ATOM 1960 CE LYS D 75 17.570 9.451 13.624 1.00 27.03 C ATOM 1961 NZ LYS D 75 17.677 10.186 12.333 1.00 25.97 N ATOM 0 H LYS D 75 21.710 6.344 13.603 1.00 23.10 H new ATOM 0 HA LYS D 75 21.665 8.018 15.797 1.00 25.53 H new ATOM 0 HB2 LYS D 75 20.144 7.936 13.741 1.00 25.75 H new ATOM 0 HB3 LYS D 75 19.244 6.673 14.557 1.00 25.75 H new ATOM 0 HG2 LYS D 75 18.139 8.158 15.840 1.00 26.58 H new ATOM 0 HG3 LYS D 75 19.621 8.957 16.327 1.00 26.58 H new ATOM 0 HD2 LYS D 75 18.459 10.644 15.172 1.00 26.22 H new ATOM 0 HD3 LYS D 75 19.599 10.057 13.977 1.00 26.22 H new ATOM 0 HE2 LYS D 75 17.554 8.378 13.431 1.00 27.03 H new ATOM 0 HE3 LYS D 75 16.626 9.702 14.107 1.00 27.03 H new ATOM 0 HZ1 LYS D 75 16.874 9.934 11.722 1.00 25.97 H new ATOM 0 HZ2 LYS D 75 17.666 11.210 12.515 1.00 25.97 H new ATOM 0 HZ3 LYS D 75 18.566 9.928 11.859 1.00 25.97 H new ATOM 1975 N ASP D 76 20.493 5.011 16.452 1.00 27.01 N ATOM 1976 CA ASP D 76 20.138 4.100 17.529 1.00 28.92 C ATOM 1977 C ASP D 76 21.382 3.680 18.305 1.00 29.26 C ATOM 1978 O ASP D 76 21.335 3.494 19.521 1.00 31.29 O ATOM 1979 CB ASP D 76 19.426 2.866 16.971 1.00 28.57 C ATOM 1980 CG ASP D 76 18.335 2.362 17.896 1.00 29.54 C ATOM 1981 OD1 ASP D 76 18.466 2.549 19.125 1.00 31.14 O ATOM 1982 OD2 ASP D 76 17.353 1.779 17.394 1.00 28.85 O ATOM 0 H ASP D 76 20.505 4.585 15.525 1.00 27.01 H new ATOM 0 HA ASP D 76 19.461 4.619 18.208 1.00 28.92 H new ATOM 0 HB2 ASP D 76 18.993 3.107 16.000 1.00 28.57 H new ATOM 0 HB3 ASP D 76 20.155 2.072 16.807 1.00 28.57 H new ATOM 1987 N LEU D 77 22.495 3.540 17.591 1.00 27.30 N ATOM 1988 CA LEU D 77 23.756 3.150 18.209 1.00 27.42 C ATOM 1989 C LEU D 77 24.164 4.152 19.283 1.00 29.28 C ATOM 1990 O LEU D 77 24.490 3.773 20.408 1.00 30.67 O ATOM 1991 CB LEU D 77 24.853 3.050 17.148 1.00 25.05 C ATOM 1992 CG LEU D 77 24.960 1.693 16.452 1.00 23.81 C ATOM 1993 CD1 LEU D 77 25.821 1.799 15.204 1.00 21.72 C ATOM 1994 CD2 LEU D 77 25.525 0.651 17.404 1.00 24.87 C ATOM 0 H LEU D 77 22.548 3.691 16.584 1.00 27.30 H new ATOM 0 HA LEU D 77 23.620 2.175 18.678 1.00 27.42 H new ATOM 0 HB2 LEU D 77 24.677 3.816 16.392 1.00 25.05 H new ATOM 0 HB3 LEU D 77 25.811 3.278 17.615 1.00 25.05 H new ATOM 0 HG LEU D 77 23.960 1.380 16.152 1.00 23.81 H new ATOM 0 HD11 LEU D 77 25.885 0.823 14.722 1.00 21.72 H new ATOM 0 HD12 LEU D 77 25.375 2.515 14.514 1.00 21.72 H new ATOM 0 HD13 LEU D 77 26.821 2.134 15.479 1.00 21.72 H new ATOM 0 HD21 LEU D 77 25.595 -0.309 16.893 1.00 24.87 H new ATOM 0 HD22 LEU D 77 26.517 0.959 17.734 1.00 24.87 H new ATOM 0 HD23 LEU D 77 24.869 0.555 18.269 1.00 24.87 H new ATOM 2006 N TYR D 78 24.142 5.432 18.927 1.00 29.51 N ATOM 2007 CA TYR D 78 24.507 6.492 19.858 1.00 31.44 C ATOM 2008 C TYR D 78 23.385 6.747 20.859 1.00 33.20 C ATOM 2009 O TYR D 78 23.632 6.934 22.050 1.00 33.62 O ATOM 2010 CB TYR D 78 24.826 7.779 19.095 1.00 32.28 C ATOM 2011 CG TYR D 78 26.249 7.848 18.588 1.00 32.00 C ATOM 2012 CD1 TYR D 78 27.334 7.619 19.452 1.00 32.18 C ATOM 2013 CD2 TYR D 78 26.521 8.145 17.241 1.00 31.62 C ATOM 2014 CE1 TYR D 78 28.650 7.682 18.987 1.00 32.09 C ATOM 2015 CE2 TYR D 78 27.835 8.211 16.769 1.00 31.50 C ATOM 2016 CZ TYR D 78 28.895 7.979 17.646 1.00 31.78 C ATOM 2017 OH TYR D 78 30.190 8.043 17.185 1.00 31.84 O ATOM 0 H TYR D 78 23.875 5.760 17.999 1.00 29.51 H new ATOM 0 HA TYR D 78 25.393 6.172 20.406 1.00 31.44 H new ATOM 0 HB2 TYR D 78 24.144 7.868 18.250 1.00 32.28 H new ATOM 0 HB3 TYR D 78 24.640 8.633 19.746 1.00 32.28 H new ATOM 0 HD1 TYR D 78 27.147 7.391 20.491 1.00 32.18 H new ATOM 0 HD2 TYR D 78 25.702 8.325 16.560 1.00 31.62 H new ATOM 0 HE1 TYR D 78 29.473 7.502 19.662 1.00 32.09 H new ATOM 0 HE2 TYR D 78 28.029 8.440 15.732 1.00 31.50 H new ATOM 0 HH TYR D 78 30.187 8.259 16.229 1.00 31.84 H new ATOM 2027 N LYS D 79 22.152 6.754 20.365 1.00 34.34 N ATOM 2028 CA LYS D 79 20.989 6.988 21.214 1.00 36.22 C ATOM 2029 C LYS D 79 20.927 5.969 22.346 1.00 37.29 C ATOM 2030 O LYS D 79 20.566 6.302 23.475 1.00 37.61 O ATOM 2031 CB LYS D 79 19.706 6.926 20.384 1.00 35.66 C ATOM 2032 CG LYS D 79 18.438 7.042 21.215 1.00 37.12 C ATOM 2033 CD LYS D 79 17.418 7.951 20.548 1.00 38.38 C ATOM 2034 CE LYS D 79 16.019 7.707 21.090 1.00 38.75 C ATOM 2035 NZ LYS D 79 15.725 8.561 22.274 1.00 40.28 N ATOM 0 H LYS D 79 21.932 6.600 19.381 1.00 34.34 H new ATOM 0 HA LYS D 79 21.083 7.982 21.651 1.00 36.22 H new ATOM 0 HB2 LYS D 79 19.721 7.728 19.646 1.00 35.66 H new ATOM 0 HB3 LYS D 79 19.685 5.986 19.833 1.00 35.66 H new ATOM 0 HG2 LYS D 79 18.005 6.052 21.361 1.00 37.12 H new ATOM 0 HG3 LYS D 79 18.683 7.431 22.203 1.00 37.12 H new ATOM 0 HD2 LYS D 79 17.696 8.992 20.710 1.00 38.38 H new ATOM 0 HD3 LYS D 79 17.427 7.782 19.471 1.00 38.38 H new ATOM 0 HE2 LYS D 79 15.287 7.907 20.308 1.00 38.75 H new ATOM 0 HE3 LYS D 79 15.914 6.657 21.364 1.00 38.75 H new ATOM 0 HZ1 LYS D 79 14.762 8.364 22.613 1.00 40.28 H new ATOM 0 HZ2 LYS D 79 16.408 8.353 23.030 1.00 40.28 H new ATOM 0 HZ3 LYS D 79 15.800 9.563 22.006 1.00 40.28 H new