USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 MET CE :methyl 145:sc= -4.9! (180deg=-6.1!) USER MOD Set 1.2: C 73 THR OG1 : rot 88:sc= -0.701 USER MOD Set 2.1: A 73 THR OG1 : rot 90:sc= -1.29 USER MOD Set 2.2: C 69 MET CE :methyl 144:sc= -5.42! (180deg=-5.91!) USER MOD Set 3.1: B 69 MET CE :methyl 145:sc= -3.26 (180deg=-3.1!) USER MOD Set 3.2: B 73 THR OG1 : rot -100:sc= -0.306 USER MOD Set 3.3: C 78 TYR OH : rot -68:sc= -6.15! USER MOD Set 3.4: D 62 GLN : amide:sc= -4.54! C(o=-14!,f=-21!) USER MOD Set 4.1: A 78 TYR OH : rot -60:sc= -5.72! USER MOD Set 4.2: B 62 GLN : amide:sc= -4.81! C(o=-14!,f=-21!) USER MOD Set 4.3: D 69 MET CE :methyl 145:sc= -3.18 (180deg=-2.95!) USER MOD Set 4.4: D 73 THR OG1 : rot -100:sc= -0.165 USER MOD Single : A 62 GLN : amide:sc= -0.61 K(o=-0.61,f=-2.2!) USER MOD Single : A 63 SER OG : rot -84:sc= 0.374 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+ -138:sc= 0.0453 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 53:sc= 0.675 USER MOD Single : B 63 SER OG : rot 43:sc= 0.352 USER MOD Single : B 67 LYS NZ :NH3+ -124:sc= -0.0709 (180deg=-1.16) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 180:sc= -0.666 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -0.628 K(o=-0.63,f=-2.2!) USER MOD Single : C 63 SER OG : rot -82:sc= 0.367 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+ -132:sc= 0.0615 (180deg=0) USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 81 THR OG1 : rot 70:sc= 0.738 USER MOD Single : D 63 SER OG : rot 39:sc= 0.23 USER MOD Single : D 67 LYS NZ :NH3+ -124:sc= -0.0703 (180deg=-1.17) USER MOD Single : D 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot 180:sc= -0.504 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 25.432 -12.414 -17.219 1.00 31.84 N ATOM 54 CA ALA A 55 25.058 -11.090 -16.738 1.00 29.74 C ATOM 55 C ALA A 55 24.312 -11.184 -15.412 1.00 27.65 C ATOM 56 O ALA A 55 24.526 -10.374 -14.510 1.00 26.53 O ATOM 57 CB ALA A 55 24.211 -10.371 -17.775 1.00 28.64 C ATOM 0 HA ALA A 55 25.970 -10.516 -16.574 1.00 29.74 H new ATOM 0 HB1 ALA A 55 23.939 -9.384 -17.402 1.00 28.64 H new ATOM 0 HB2 ALA A 55 24.779 -10.266 -18.699 1.00 28.64 H new ATOM 0 HB3 ALA A 55 23.306 -10.947 -17.969 1.00 28.64 H new ATOM 63 N GLU A 56 23.439 -12.180 -15.297 1.00 27.34 N ATOM 64 CA GLU A 56 22.666 -12.380 -14.076 1.00 25.64 C ATOM 65 C GLU A 56 23.577 -12.798 -12.929 1.00 26.55 C ATOM 66 O GLU A 56 23.625 -12.142 -11.889 1.00 26.71 O ATOM 67 CB GLU A 56 21.584 -13.439 -14.296 1.00 25.78 C ATOM 68 CG GLU A 56 20.524 -13.459 -13.207 1.00 25.93 C ATOM 69 CD GLU A 56 19.278 -12.687 -13.593 1.00 25.91 C ATOM 70 OE1 GLU A 56 19.389 -11.752 -14.412 1.00 25.69 O ATOM 71 OE2 GLU A 56 18.189 -13.019 -13.075 1.00 26.22 O ATOM 0 H GLU A 56 23.249 -12.860 -16.033 1.00 27.34 H new ATOM 0 HA GLU A 56 22.187 -11.436 -13.817 1.00 25.64 H new ATOM 0 HB2 GLU A 56 21.102 -13.260 -15.257 1.00 25.78 H new ATOM 0 HB3 GLU A 56 22.054 -14.421 -14.352 1.00 25.78 H new ATOM 0 HG2 GLU A 56 20.254 -14.492 -12.987 1.00 25.93 H new ATOM 0 HG3 GLU A 56 20.940 -13.037 -12.292 1.00 25.93 H new ATOM 78 N ARG A 57 24.302 -13.889 -13.132 1.00 27.22 N ATOM 79 CA ARG A 57 25.222 -14.396 -12.120 1.00 28.15 C ATOM 80 C ARG A 57 26.262 -13.340 -11.773 1.00 28.30 C ATOM 81 O ARG A 57 26.553 -13.098 -10.601 1.00 28.83 O ATOM 82 CB ARG A 57 25.913 -15.668 -12.615 1.00 28.75 C ATOM 83 CG ARG A 57 24.998 -16.591 -13.403 1.00 27.72 C ATOM 84 CD ARG A 57 25.539 -18.010 -13.444 1.00 28.17 C ATOM 85 NE ARG A 57 24.473 -18.998 -13.581 1.00 27.42 N ATOM 86 CZ ARG A 57 23.581 -19.256 -12.628 1.00 25.11 C ATOM 87 NH1 ARG A 57 23.634 -18.604 -11.475 1.00 23.32 N ATOM 88 NH2 ARG A 57 22.639 -20.167 -12.829 1.00 24.60 N ATOM 0 H ARG A 57 24.272 -14.442 -13.989 1.00 27.22 H new ATOM 0 HA ARG A 57 24.650 -14.634 -11.224 1.00 28.15 H new ATOM 0 HB2 ARG A 57 26.761 -15.390 -13.241 1.00 28.75 H new ATOM 0 HB3 ARG A 57 26.313 -16.211 -11.759 1.00 28.75 H new ATOM 0 HG2 ARG A 57 24.005 -16.592 -12.953 1.00 27.72 H new ATOM 0 HG3 ARG A 57 24.887 -16.214 -14.419 1.00 27.72 H new ATOM 0 HD2 ARG A 57 26.234 -18.109 -14.278 1.00 28.17 H new ATOM 0 HD3 ARG A 57 26.103 -18.209 -12.533 1.00 28.17 H new ATOM 0 HE ARG A 57 24.408 -19.519 -14.455 1.00 27.42 H new ATOM 0 HH11 ARG A 57 24.359 -17.904 -11.318 1.00 23.32 H new ATOM 0 HH12 ARG A 57 22.950 -18.802 -10.745 1.00 23.32 H new ATOM 0 HH21 ARG A 57 22.598 -20.671 -13.715 1.00 24.60 H new ATOM 0 HH22 ARG A 57 21.956 -20.364 -12.098 1.00 24.60 H new ATOM 102 N LEU A 58 26.811 -12.709 -12.803 1.00 27.85 N ATOM 103 CA LEU A 58 27.816 -11.670 -12.618 1.00 27.96 C ATOM 104 C LEU A 58 27.295 -10.585 -11.682 1.00 25.28 C ATOM 105 O LEU A 58 27.940 -10.243 -10.691 1.00 23.94 O ATOM 106 CB LEU A 58 28.199 -11.056 -13.966 1.00 29.04 C ATOM 107 CG LEU A 58 29.230 -11.850 -14.771 1.00 29.97 C ATOM 108 CD1 LEU A 58 29.697 -11.049 -15.976 1.00 29.35 C ATOM 109 CD2 LEU A 58 30.411 -12.231 -13.894 1.00 31.14 C ATOM 0 H LEU A 58 26.577 -12.899 -13.777 1.00 27.85 H new ATOM 0 HA LEU A 58 28.701 -12.123 -12.171 1.00 27.96 H new ATOM 0 HB2 LEU A 58 27.297 -10.947 -14.568 1.00 29.04 H new ATOM 0 HB3 LEU A 58 28.590 -10.053 -13.793 1.00 29.04 H new ATOM 0 HG LEU A 58 28.758 -12.765 -15.129 1.00 29.97 H new ATOM 0 HD11 LEU A 58 30.430 -11.629 -16.537 1.00 29.35 H new ATOM 0 HD12 LEU A 58 28.844 -10.825 -16.617 1.00 29.35 H new ATOM 0 HD13 LEU A 58 30.152 -10.118 -15.639 1.00 29.35 H new ATOM 0 HD21 LEU A 58 31.134 -12.795 -14.483 1.00 31.14 H new ATOM 0 HD22 LEU A 58 30.883 -11.328 -13.507 1.00 31.14 H new ATOM 0 HD23 LEU A 58 30.064 -12.844 -13.062 1.00 31.14 H new ATOM 121 N ALA A 59 26.120 -10.052 -12.001 1.00 24.63 N ATOM 122 CA ALA A 59 25.508 -9.011 -11.187 1.00 22.16 C ATOM 123 C ALA A 59 25.455 -9.433 -9.723 1.00 21.22 C ATOM 124 O ALA A 59 25.639 -8.616 -8.822 1.00 20.83 O ATOM 125 CB ALA A 59 24.112 -8.691 -11.700 1.00 20.39 C ATOM 0 H ALA A 59 25.573 -10.325 -12.818 1.00 24.63 H new ATOM 0 HA ALA A 59 26.120 -8.112 -11.261 1.00 22.16 H new ATOM 0 HB1 ALA A 59 23.667 -7.911 -11.082 1.00 20.39 H new ATOM 0 HB2 ALA A 59 24.174 -8.345 -12.732 1.00 20.39 H new ATOM 0 HB3 ALA A 59 23.493 -9.587 -11.655 1.00 20.39 H new ATOM 131 N ASP A 60 25.210 -10.720 -9.496 1.00 21.26 N ATOM 132 CA ASP A 60 25.140 -11.259 -8.143 1.00 20.91 C ATOM 133 C ASP A 60 26.532 -11.343 -7.528 1.00 20.34 C ATOM 134 O ASP A 60 26.697 -11.209 -6.316 1.00 20.08 O ATOM 135 CB ASP A 60 24.488 -12.643 -8.155 1.00 22.64 C ATOM 136 CG ASP A 60 24.410 -13.259 -6.772 1.00 24.15 C ATOM 137 OD1 ASP A 60 25.476 -13.571 -6.200 1.00 25.28 O ATOM 138 OD2 ASP A 60 23.284 -13.429 -6.260 1.00 24.36 O ATOM 0 H ASP A 60 25.057 -11.409 -10.232 1.00 21.26 H new ATOM 0 HA ASP A 60 24.531 -10.588 -7.537 1.00 20.91 H new ATOM 0 HB2 ASP A 60 23.484 -12.565 -8.572 1.00 22.64 H new ATOM 0 HB3 ASP A 60 25.055 -13.303 -8.812 1.00 22.64 H new ATOM 143 N GLU A 61 27.533 -11.561 -8.376 1.00 20.44 N ATOM 144 CA GLU A 61 28.914 -11.658 -7.919 1.00 19.95 C ATOM 145 C GLU A 61 29.458 -10.281 -7.558 1.00 18.55 C ATOM 146 O GLU A 61 30.088 -10.104 -6.516 1.00 18.09 O ATOM 147 CB GLU A 61 29.788 -12.297 -9.000 1.00 20.89 C ATOM 148 CG GLU A 61 30.945 -13.111 -8.444 1.00 22.88 C ATOM 149 CD GLU A 61 31.964 -13.473 -9.506 1.00 24.42 C ATOM 150 OE1 GLU A 61 31.860 -12.947 -10.634 1.00 23.95 O ATOM 151 OE2 GLU A 61 32.867 -14.284 -9.211 1.00 26.13 O ATOM 0 H GLU A 61 27.413 -11.674 -9.383 1.00 20.44 H new ATOM 0 HA GLU A 61 28.936 -12.286 -7.028 1.00 19.95 H new ATOM 0 HB2 GLU A 61 29.168 -12.941 -9.623 1.00 20.89 H new ATOM 0 HB3 GLU A 61 30.183 -11.513 -9.646 1.00 20.89 H new ATOM 0 HG2 GLU A 61 31.436 -12.545 -7.652 1.00 22.88 H new ATOM 0 HG3 GLU A 61 30.558 -14.024 -7.990 1.00 22.88 H new ATOM 158 N GLN A 62 29.202 -9.308 -8.425 1.00 18.33 N ATOM 159 CA GLN A 62 29.658 -7.943 -8.198 1.00 17.53 C ATOM 160 C GLN A 62 29.126 -7.413 -6.872 1.00 17.00 C ATOM 161 O GLN A 62 29.873 -6.853 -6.071 1.00 17.64 O ATOM 162 CB GLN A 62 29.208 -7.034 -9.343 1.00 15.85 C ATOM 163 CG GLN A 62 29.706 -7.483 -10.707 1.00 16.44 C ATOM 164 CD GLN A 62 31.211 -7.657 -10.748 1.00 16.26 C ATOM 165 OE1 GLN A 62 31.934 -7.113 -9.913 1.00 15.77 O ATOM 166 NE2 GLN A 62 31.693 -8.419 -11.724 1.00 16.88 N ATOM 0 H GLN A 62 28.681 -9.440 -9.292 1.00 18.33 H new ATOM 0 HA GLN A 62 30.747 -7.949 -8.159 1.00 17.53 H new ATOM 0 HB2 GLN A 62 28.119 -6.994 -9.358 1.00 15.85 H new ATOM 0 HB3 GLN A 62 29.561 -6.021 -9.152 1.00 15.85 H new ATOM 0 HG2 GLN A 62 29.227 -8.426 -10.973 1.00 16.44 H new ATOM 0 HG3 GLN A 62 29.408 -6.751 -11.458 1.00 16.44 H new ATOM 0 HE21 GLN A 62 31.058 -8.851 -12.395 1.00 16.88 H new ATOM 0 HE22 GLN A 62 32.698 -8.572 -11.802 1.00 16.88 H new ATOM 175 N SER A 63 27.829 -7.599 -6.647 1.00 16.10 N ATOM 176 CA SER A 63 27.196 -7.144 -5.416 1.00 15.57 C ATOM 177 C SER A 63 27.855 -7.790 -4.202 1.00 14.84 C ATOM 178 O SER A 63 28.065 -7.140 -3.179 1.00 13.97 O ATOM 179 CB SER A 63 25.701 -7.469 -5.435 1.00 15.69 C ATOM 180 OG SER A 63 25.475 -8.808 -5.840 1.00 15.82 O ATOM 0 H SER A 63 27.197 -8.061 -7.301 1.00 16.10 H new ATOM 0 HA SER A 63 27.322 -6.064 -5.346 1.00 15.57 H new ATOM 0 HB2 SER A 63 25.278 -7.310 -4.443 1.00 15.69 H new ATOM 0 HB3 SER A 63 25.186 -6.789 -6.114 1.00 15.69 H new ATOM 0 HG SER A 63 25.474 -8.858 -6.819 1.00 15.82 H new ATOM 186 N GLU A 64 28.184 -9.072 -4.327 1.00 15.24 N ATOM 187 CA GLU A 64 28.824 -9.803 -3.241 1.00 14.66 C ATOM 188 C GLU A 64 30.136 -9.134 -2.845 1.00 13.95 C ATOM 189 O GLU A 64 30.569 -9.225 -1.696 1.00 12.85 O ATOM 190 CB GLU A 64 29.082 -11.254 -3.654 1.00 15.24 C ATOM 191 CG GLU A 64 28.087 -12.240 -3.066 1.00 14.63 C ATOM 192 CD GLU A 64 28.751 -13.285 -2.191 1.00 16.36 C ATOM 193 OE1 GLU A 64 29.857 -13.015 -1.678 1.00 16.82 O ATOM 194 OE2 GLU A 64 28.165 -14.375 -2.019 1.00 17.46 O ATOM 0 H GLU A 64 28.018 -9.624 -5.168 1.00 15.24 H new ATOM 0 HA GLU A 64 28.153 -9.794 -2.382 1.00 14.66 H new ATOM 0 HB2 GLU A 64 29.051 -11.324 -4.741 1.00 15.24 H new ATOM 0 HB3 GLU A 64 30.088 -11.538 -3.345 1.00 15.24 H new ATOM 0 HG2 GLU A 64 27.346 -11.697 -2.479 1.00 14.63 H new ATOM 0 HG3 GLU A 64 27.551 -12.736 -3.875 1.00 14.63 H new ATOM 201 N LEU A 65 30.758 -8.454 -3.801 1.00 14.77 N ATOM 202 CA LEU A 65 32.013 -7.760 -3.546 1.00 14.21 C ATOM 203 C LEU A 65 31.747 -6.452 -2.811 1.00 12.32 C ATOM 204 O LEU A 65 32.536 -6.028 -1.967 1.00 13.21 O ATOM 205 CB LEU A 65 32.752 -7.488 -4.858 1.00 14.54 C ATOM 206 CG LEU A 65 33.285 -8.731 -5.571 1.00 16.64 C ATOM 207 CD1 LEU A 65 33.679 -8.399 -7.001 1.00 17.50 C ATOM 208 CD2 LEU A 65 34.468 -9.314 -4.810 1.00 18.70 C ATOM 0 H LEU A 65 30.414 -8.369 -4.758 1.00 14.77 H new ATOM 0 HA LEU A 65 32.641 -8.395 -2.922 1.00 14.21 H new ATOM 0 HB2 LEU A 65 32.079 -6.961 -5.534 1.00 14.54 H new ATOM 0 HB3 LEU A 65 33.588 -6.818 -4.654 1.00 14.54 H new ATOM 0 HG LEU A 65 32.492 -9.479 -5.600 1.00 16.64 H new ATOM 0 HD11 LEU A 65 34.056 -9.296 -7.492 1.00 17.50 H new ATOM 0 HD12 LEU A 65 32.808 -8.028 -7.542 1.00 17.50 H new ATOM 0 HD13 LEU A 65 34.456 -7.634 -6.996 1.00 17.50 H new ATOM 0 HD21 LEU A 65 34.836 -10.198 -5.331 1.00 18.70 H new ATOM 0 HD22 LEU A 65 35.264 -8.571 -4.750 1.00 18.70 H new ATOM 0 HD23 LEU A 65 34.153 -9.590 -3.804 1.00 18.70 H new ATOM 220 N VAL A 66 30.621 -5.822 -3.135 1.00 10.08 N ATOM 221 CA VAL A 66 30.234 -4.571 -2.503 1.00 8.44 C ATOM 222 C VAL A 66 29.689 -4.823 -1.104 1.00 7.64 C ATOM 223 O VAL A 66 30.024 -4.111 -0.156 1.00 8.83 O ATOM 224 CB VAL A 66 29.171 -3.824 -3.334 1.00 8.60 C ATOM 225 CG1 VAL A 66 28.758 -2.532 -2.646 1.00 7.92 C ATOM 226 CG2 VAL A 66 29.689 -3.546 -4.737 1.00 9.91 C ATOM 0 H VAL A 66 29.961 -6.161 -3.834 1.00 10.08 H new ATOM 0 HA VAL A 66 31.128 -3.951 -2.441 1.00 8.44 H new ATOM 0 HB VAL A 66 28.290 -4.461 -3.414 1.00 8.60 H new ATOM 0 HG11 VAL A 66 28.008 -2.022 -3.250 1.00 7.92 H new ATOM 0 HG12 VAL A 66 28.341 -2.759 -1.665 1.00 7.92 H new ATOM 0 HG13 VAL A 66 29.629 -1.887 -2.529 1.00 7.92 H new ATOM 0 HG21 VAL A 66 28.926 -3.018 -5.309 1.00 9.91 H new ATOM 0 HG22 VAL A 66 30.587 -2.932 -4.678 1.00 9.91 H new ATOM 0 HG23 VAL A 66 29.926 -4.488 -5.231 1.00 9.91 H new ATOM 236 N LYS A 67 28.847 -5.845 -0.980 1.00 6.48 N ATOM 237 CA LYS A 67 28.257 -6.197 0.305 1.00 7.24 C ATOM 238 C LYS A 67 29.345 -6.530 1.320 1.00 9.35 C ATOM 239 O LYS A 67 29.284 -6.108 2.475 1.00 10.62 O ATOM 240 CB LYS A 67 27.291 -7.379 0.145 1.00 8.56 C ATOM 241 CG LYS A 67 27.981 -8.727 -0.001 1.00 9.08 C ATOM 242 CD LYS A 67 26.974 -9.849 -0.199 1.00 10.24 C ATOM 243 CE LYS A 67 26.236 -10.169 1.090 1.00 12.01 C ATOM 244 NZ LYS A 67 25.405 -11.398 0.963 1.00 13.97 N ATOM 0 H LYS A 67 28.559 -6.443 -1.754 1.00 6.48 H new ATOM 0 HA LYS A 67 27.695 -5.339 0.673 1.00 7.24 H new ATOM 0 HB2 LYS A 67 26.629 -7.413 1.010 1.00 8.56 H new ATOM 0 HB3 LYS A 67 26.664 -7.207 -0.730 1.00 8.56 H new ATOM 0 HG2 LYS A 67 28.665 -8.697 -0.849 1.00 9.08 H new ATOM 0 HG3 LYS A 67 28.581 -8.928 0.886 1.00 9.08 H new ATOM 0 HD2 LYS A 67 26.257 -9.564 -0.969 1.00 10.24 H new ATOM 0 HD3 LYS A 67 27.488 -10.741 -0.557 1.00 10.24 H new ATOM 0 HE2 LYS A 67 26.956 -10.299 1.898 1.00 12.01 H new ATOM 0 HE3 LYS A 67 25.600 -9.327 1.363 1.00 12.01 H new ATOM 0 HZ1 LYS A 67 24.918 -11.582 1.863 1.00 13.97 H new ATOM 0 HZ2 LYS A 67 24.701 -11.265 0.209 1.00 13.97 H new ATOM 0 HZ3 LYS A 67 26.015 -12.207 0.728 1.00 13.97 H new ATOM 258 N LYS A 68 30.349 -7.283 0.877 1.00 9.97 N ATOM 259 CA LYS A 68 31.456 -7.664 1.744 1.00 11.98 C ATOM 260 C LYS A 68 32.222 -6.426 2.195 1.00 10.81 C ATOM 261 O LYS A 68 32.655 -6.334 3.344 1.00 11.49 O ATOM 262 CB LYS A 68 32.398 -8.627 1.019 1.00 14.42 C ATOM 263 CG LYS A 68 33.382 -9.326 1.943 1.00 16.68 C ATOM 264 CD LYS A 68 34.821 -9.038 1.545 1.00 17.61 C ATOM 265 CE LYS A 68 35.186 -9.726 0.240 1.00 18.98 C ATOM 266 NZ LYS A 68 36.370 -10.617 0.394 1.00 21.56 N ATOM 0 H LYS A 68 30.417 -7.640 -0.076 1.00 9.97 H new ATOM 0 HA LYS A 68 31.049 -8.168 2.621 1.00 11.98 H new ATOM 0 HB2 LYS A 68 31.805 -9.379 0.498 1.00 14.42 H new ATOM 0 HB3 LYS A 68 32.953 -8.076 0.260 1.00 14.42 H new ATOM 0 HG2 LYS A 68 33.215 -8.999 2.969 1.00 16.68 H new ATOM 0 HG3 LYS A 68 33.205 -10.401 1.919 1.00 16.68 H new ATOM 0 HD2 LYS A 68 34.963 -7.962 1.442 1.00 17.61 H new ATOM 0 HD3 LYS A 68 35.492 -9.374 2.335 1.00 17.61 H new ATOM 0 HE2 LYS A 68 34.336 -10.310 -0.113 1.00 18.98 H new ATOM 0 HE3 LYS A 68 35.394 -8.974 -0.521 1.00 18.98 H new ATOM 0 HZ1 LYS A 68 36.587 -11.067 -0.518 1.00 21.56 H new ATOM 0 HZ2 LYS A 68 37.188 -10.056 0.706 1.00 21.56 H new ATOM 0 HZ3 LYS A 68 36.163 -11.350 1.102 1.00 21.56 H new ATOM 280 N MET A 69 32.378 -5.473 1.281 1.00 9.17 N ATOM 281 CA MET A 69 33.084 -4.235 1.582 1.00 8.17 C ATOM 282 C MET A 69 32.331 -3.437 2.641 1.00 6.19 C ATOM 283 O MET A 69 32.931 -2.901 3.572 1.00 5.44 O ATOM 284 CB MET A 69 33.249 -3.397 0.312 1.00 7.73 C ATOM 285 CG MET A 69 33.942 -2.065 0.549 1.00 6.32 C ATOM 286 SD MET A 69 34.126 -1.099 -0.964 1.00 8.02 S ATOM 287 CE MET A 69 32.413 -0.876 -1.434 1.00 8.84 C ATOM 0 H MET A 69 32.025 -5.536 0.326 1.00 9.17 H new ATOM 0 HA MET A 69 34.071 -4.486 1.970 1.00 8.17 H new ATOM 0 HB2 MET A 69 33.820 -3.969 -0.419 1.00 7.73 H new ATOM 0 HB3 MET A 69 32.266 -3.214 -0.123 1.00 7.73 H new ATOM 0 HG2 MET A 69 33.372 -1.488 1.277 1.00 6.32 H new ATOM 0 HG3 MET A 69 34.926 -2.244 0.983 1.00 6.32 H new ATOM 0 HE1 MET A 69 32.286 0.106 -1.891 1.00 8.84 H new ATOM 0 HE2 MET A 69 32.128 -1.648 -2.149 1.00 8.84 H new ATOM 0 HE3 MET A 69 31.780 -0.949 -0.549 1.00 8.84 H new ATOM 297 N VAL A 70 31.011 -3.368 2.493 1.00 6.36 N ATOM 298 CA VAL A 70 30.172 -2.645 3.437 1.00 5.80 C ATOM 299 C VAL A 70 30.114 -3.376 4.774 1.00 7.30 C ATOM 300 O VAL A 70 30.187 -2.754 5.834 1.00 7.61 O ATOM 301 CB VAL A 70 28.742 -2.449 2.881 1.00 5.68 C ATOM 302 CG1 VAL A 70 27.802 -1.889 3.941 1.00 4.94 C ATOM 303 CG2 VAL A 70 28.775 -1.538 1.666 1.00 4.73 C ATOM 0 H VAL A 70 30.501 -3.806 1.726 1.00 6.36 H new ATOM 0 HA VAL A 70 30.619 -1.662 3.589 1.00 5.80 H new ATOM 0 HB VAL A 70 28.360 -3.426 2.584 1.00 5.68 H new ATOM 0 HG11 VAL A 70 26.806 -1.764 3.515 1.00 4.94 H new ATOM 0 HG12 VAL A 70 27.752 -2.578 4.784 1.00 4.94 H new ATOM 0 HG13 VAL A 70 28.174 -0.923 4.283 1.00 4.94 H new ATOM 0 HG21 VAL A 70 27.763 -1.407 1.282 1.00 4.73 H new ATOM 0 HG22 VAL A 70 29.185 -0.568 1.949 1.00 4.73 H new ATOM 0 HG23 VAL A 70 29.401 -1.984 0.893 1.00 4.73 H new ATOM 313 N PHE A 71 29.989 -4.698 4.719 1.00 9.06 N ATOM 314 CA PHE A 71 29.929 -5.499 5.932 1.00 11.11 C ATOM 315 C PHE A 71 31.111 -5.178 6.841 1.00 10.58 C ATOM 316 O PHE A 71 30.933 -4.671 7.945 1.00 11.18 O ATOM 317 CB PHE A 71 29.918 -6.993 5.594 1.00 13.69 C ATOM 318 CG PHE A 71 30.056 -7.876 6.802 1.00 15.51 C ATOM 319 CD1 PHE A 71 29.275 -7.646 7.943 1.00 16.96 C ATOM 320 CD2 PHE A 71 30.975 -8.935 6.815 1.00 16.19 C ATOM 321 CE1 PHE A 71 29.406 -8.454 9.075 1.00 18.86 C ATOM 322 CE2 PHE A 71 31.109 -9.749 7.944 1.00 18.16 C ATOM 323 CZ PHE A 71 30.324 -9.507 9.075 1.00 19.40 C ATOM 0 H PHE A 71 29.928 -5.233 3.853 1.00 9.06 H new ATOM 0 HA PHE A 71 29.005 -5.254 6.456 1.00 11.11 H new ATOM 0 HB2 PHE A 71 28.988 -7.235 5.080 1.00 13.69 H new ATOM 0 HB3 PHE A 71 30.731 -7.208 4.901 1.00 13.69 H new ATOM 0 HD1 PHE A 71 28.563 -6.834 7.947 1.00 16.96 H new ATOM 0 HD2 PHE A 71 31.585 -9.124 5.944 1.00 16.19 H new ATOM 0 HE1 PHE A 71 28.799 -8.265 9.948 1.00 18.86 H new ATOM 0 HE2 PHE A 71 31.818 -10.564 7.942 1.00 18.16 H new ATOM 0 HZ PHE A 71 30.427 -10.134 9.948 1.00 19.40 H new ATOM 333 N ASP A 72 32.317 -5.472 6.366 1.00 9.97 N ATOM 334 CA ASP A 72 33.525 -5.209 7.139 1.00 9.42 C ATOM 335 C ASP A 72 33.538 -3.768 7.639 1.00 7.43 C ATOM 336 O ASP A 72 33.885 -3.506 8.791 1.00 6.98 O ATOM 337 CB ASP A 72 34.769 -5.482 6.292 1.00 9.17 C ATOM 338 CG ASP A 72 35.962 -5.889 7.134 1.00 10.92 C ATOM 339 OD1 ASP A 72 36.546 -5.009 7.801 1.00 10.65 O ATOM 340 OD2 ASP A 72 36.313 -7.088 7.127 1.00 12.71 O ATOM 0 H ASP A 72 32.483 -5.892 5.451 1.00 9.97 H new ATOM 0 HA ASP A 72 33.533 -5.877 8.001 1.00 9.42 H new ATOM 0 HB2 ASP A 72 34.550 -6.271 5.572 1.00 9.17 H new ATOM 0 HB3 ASP A 72 35.019 -4.589 5.720 1.00 9.17 H new ATOM 345 N THR A 73 33.152 -2.838 6.771 1.00 7.04 N ATOM 346 CA THR A 73 33.114 -1.427 7.135 1.00 6.60 C ATOM 347 C THR A 73 32.085 -1.193 8.236 1.00 9.46 C ATOM 348 O THR A 73 32.439 -0.923 9.383 1.00 10.26 O ATOM 349 CB THR A 73 32.782 -0.567 5.909 1.00 5.53 C ATOM 350 OG1 THR A 73 33.870 -0.548 5.002 1.00 5.04 O ATOM 351 CG2 THR A 73 32.444 0.874 6.247 1.00 6.92 C ATOM 0 H THR A 73 32.862 -3.036 5.813 1.00 7.04 H new ATOM 0 HA THR A 73 34.097 -1.138 7.507 1.00 6.60 H new ATOM 0 HB THR A 73 31.901 -1.032 5.467 1.00 5.53 H new ATOM 0 HG1 THR A 73 33.775 -1.284 4.362 1.00 5.04 H new ATOM 0 HG21 THR A 73 32.221 1.420 5.330 1.00 6.92 H new ATOM 0 HG22 THR A 73 31.576 0.899 6.905 1.00 6.92 H new ATOM 0 HG23 THR A 73 33.293 1.339 6.748 1.00 6.92 H new ATOM 359 N LEU A 74 30.811 -1.301 7.877 1.00 11.10 N ATOM 360 CA LEU A 74 29.731 -1.102 8.834 1.00 13.88 C ATOM 361 C LEU A 74 29.953 -1.942 10.086 1.00 15.66 C ATOM 362 O LEU A 74 29.609 -1.529 11.194 1.00 17.84 O ATOM 363 CB LEU A 74 28.389 -1.451 8.192 1.00 14.41 C ATOM 364 CG LEU A 74 27.969 -0.530 7.046 1.00 14.69 C ATOM 365 CD1 LEU A 74 26.504 -0.739 6.706 1.00 17.03 C ATOM 366 CD2 LEU A 74 28.234 0.926 7.405 1.00 14.66 C ATOM 0 H LEU A 74 30.502 -1.525 6.931 1.00 11.10 H new ATOM 0 HA LEU A 74 29.721 -0.052 9.127 1.00 13.88 H new ATOM 0 HB2 LEU A 74 28.435 -2.474 7.819 1.00 14.41 H new ATOM 0 HB3 LEU A 74 27.617 -1.427 8.961 1.00 14.41 H new ATOM 0 HG LEU A 74 28.564 -0.779 6.168 1.00 14.69 H new ATOM 0 HD11 LEU A 74 26.222 -0.076 5.888 1.00 17.03 H new ATOM 0 HD12 LEU A 74 26.345 -1.774 6.405 1.00 17.03 H new ATOM 0 HD13 LEU A 74 25.892 -0.517 7.581 1.00 17.03 H new ATOM 0 HD21 LEU A 74 27.929 1.566 6.577 1.00 14.66 H new ATOM 0 HD22 LEU A 74 27.666 1.190 8.297 1.00 14.66 H new ATOM 0 HD23 LEU A 74 29.298 1.065 7.598 1.00 14.66 H new ATOM 378 N LYS A 75 30.540 -3.118 9.902 1.00 15.13 N ATOM 379 CA LYS A 75 30.823 -4.016 11.015 1.00 17.26 C ATOM 380 C LYS A 75 31.684 -3.310 12.054 1.00 17.76 C ATOM 381 O LYS A 75 31.250 -3.067 13.179 1.00 19.98 O ATOM 382 CB LYS A 75 31.539 -5.273 10.515 1.00 17.01 C ATOM 383 CG LYS A 75 31.906 -6.250 11.618 1.00 17.34 C ATOM 384 CD LYS A 75 32.158 -7.644 11.066 1.00 17.61 C ATOM 385 CE LYS A 75 33.637 -7.994 11.094 1.00 18.69 C ATOM 386 NZ LYS A 75 34.061 -8.713 9.861 1.00 17.77 N ATOM 0 H LYS A 75 30.830 -3.473 8.991 1.00 15.13 H new ATOM 0 HA LYS A 75 29.878 -4.307 11.474 1.00 17.26 H new ATOM 0 HB2 LYS A 75 30.900 -5.780 9.791 1.00 17.01 H new ATOM 0 HB3 LYS A 75 32.446 -4.977 9.988 1.00 17.01 H new ATOM 0 HG2 LYS A 75 32.797 -5.896 12.137 1.00 17.34 H new ATOM 0 HG3 LYS A 75 31.103 -6.288 12.354 1.00 17.34 H new ATOM 0 HD2 LYS A 75 31.599 -8.375 11.650 1.00 17.61 H new ATOM 0 HD3 LYS A 75 31.788 -7.704 10.042 1.00 17.61 H new ATOM 0 HE2 LYS A 75 34.224 -7.082 11.202 1.00 18.69 H new ATOM 0 HE3 LYS A 75 33.847 -8.614 11.966 1.00 18.69 H new ATOM 0 HZ1 LYS A 75 34.699 -9.493 10.116 1.00 17.77 H new ATOM 0 HZ2 LYS A 75 33.224 -9.095 9.377 1.00 17.77 H new ATOM 0 HZ3 LYS A 75 34.557 -8.054 9.228 1.00 17.77 H new ATOM 400 N ASP A 76 32.906 -2.982 11.658 1.00 15.71 N ATOM 401 CA ASP A 76 33.842 -2.298 12.541 1.00 15.98 C ATOM 402 C ASP A 76 33.358 -0.887 12.862 1.00 16.25 C ATOM 403 O ASP A 76 33.621 -0.362 13.944 1.00 17.51 O ATOM 404 CB ASP A 76 35.230 -2.238 11.899 1.00 13.80 C ATOM 405 CG ASP A 76 36.270 -2.996 12.701 1.00 12.95 C ATOM 406 OD1 ASP A 76 35.884 -3.898 13.473 1.00 13.46 O ATOM 407 OD2 ASP A 76 37.471 -2.687 12.556 1.00 11.83 O ATOM 0 H ASP A 76 33.274 -3.179 10.727 1.00 15.71 H new ATOM 0 HA ASP A 76 33.902 -2.863 13.471 1.00 15.98 H new ATOM 0 HB2 ASP A 76 35.180 -2.651 10.892 1.00 13.80 H new ATOM 0 HB3 ASP A 76 35.538 -1.197 11.802 1.00 13.80 H new ATOM 412 N LEU A 77 32.651 -0.275 11.915 1.00 15.37 N ATOM 413 CA LEU A 77 32.134 1.076 12.098 1.00 16.19 C ATOM 414 C LEU A 77 31.152 1.126 13.267 1.00 19.04 C ATOM 415 O LEU A 77 31.310 1.927 14.188 1.00 19.81 O ATOM 416 CB LEU A 77 31.467 1.560 10.803 1.00 16.17 C ATOM 417 CG LEU A 77 30.462 2.708 10.948 1.00 18.22 C ATOM 418 CD1 LEU A 77 30.951 3.734 11.959 1.00 18.45 C ATOM 419 CD2 LEU A 77 30.210 3.366 9.600 1.00 19.27 C ATOM 0 H LEU A 77 32.424 -0.694 11.013 1.00 15.37 H new ATOM 0 HA LEU A 77 32.965 1.741 12.332 1.00 16.19 H new ATOM 0 HB2 LEU A 77 32.249 1.874 10.112 1.00 16.17 H new ATOM 0 HB3 LEU A 77 30.957 0.714 10.343 1.00 16.17 H new ATOM 0 HG LEU A 77 29.523 2.294 11.314 1.00 18.22 H new ATOM 0 HD11 LEU A 77 30.220 4.538 12.044 1.00 18.45 H new ATOM 0 HD12 LEU A 77 31.078 3.256 12.930 1.00 18.45 H new ATOM 0 HD13 LEU A 77 31.905 4.144 11.629 1.00 18.45 H new ATOM 0 HD21 LEU A 77 29.494 4.179 9.720 1.00 19.27 H new ATOM 0 HD22 LEU A 77 31.147 3.762 9.208 1.00 19.27 H new ATOM 0 HD23 LEU A 77 29.808 2.629 8.905 1.00 19.27 H new ATOM 431 N TYR A 78 30.142 0.263 13.227 1.00 20.65 N ATOM 432 CA TYR A 78 29.144 0.213 14.289 1.00 23.45 C ATOM 433 C TYR A 78 29.773 -0.240 15.604 1.00 24.69 C ATOM 434 O TYR A 78 29.243 0.031 16.680 1.00 26.65 O ATOM 435 CB TYR A 78 27.997 -0.722 13.902 1.00 24.25 C ATOM 436 CG TYR A 78 27.233 -0.263 12.683 1.00 24.90 C ATOM 437 CD1 TYR A 78 27.034 1.105 12.434 1.00 24.34 C ATOM 438 CD2 TYR A 78 26.706 -1.190 11.770 1.00 26.08 C ATOM 439 CE1 TYR A 78 26.330 1.537 11.308 1.00 24.97 C ATOM 440 CE2 TYR A 78 26.000 -0.768 10.641 1.00 26.72 C ATOM 441 CZ TYR A 78 25.816 0.597 10.414 1.00 26.17 C ATOM 442 OH TYR A 78 25.123 1.019 9.304 1.00 26.83 O ATOM 0 H TYR A 78 29.993 -0.409 12.474 1.00 20.65 H new ATOM 0 HA TYR A 78 28.745 1.218 14.427 1.00 23.45 H new ATOM 0 HB2 TYR A 78 28.398 -1.719 13.716 1.00 24.25 H new ATOM 0 HB3 TYR A 78 27.308 -0.807 14.742 1.00 24.25 H new ATOM 0 HD1 TYR A 78 27.432 1.834 13.124 1.00 24.34 H new ATOM 0 HD2 TYR A 78 26.849 -2.246 11.943 1.00 26.08 H new ATOM 0 HE1 TYR A 78 26.184 2.592 11.130 1.00 24.97 H new ATOM 0 HE2 TYR A 78 25.599 -1.493 9.948 1.00 26.72 H new ATOM 0 HH TYR A 78 24.338 1.535 9.585 1.00 26.83 H new ATOM 452 N LYS A 79 30.907 -0.928 15.508 1.00 23.63 N ATOM 453 CA LYS A 79 31.608 -1.412 16.691 1.00 24.63 C ATOM 454 C LYS A 79 32.306 -0.262 17.408 1.00 26.05 C ATOM 455 O LYS A 79 32.431 -0.265 18.633 1.00 27.31 O ATOM 456 CB LYS A 79 32.628 -2.483 16.304 1.00 23.01 C ATOM 457 CG LYS A 79 32.064 -3.895 16.322 1.00 22.61 C ATOM 458 CD LYS A 79 32.921 -4.826 17.164 1.00 23.14 C ATOM 459 CE LYS A 79 32.075 -5.873 17.870 1.00 23.78 C ATOM 460 NZ LYS A 79 32.912 -6.937 18.490 1.00 24.44 N ATOM 0 H LYS A 79 31.359 -1.162 14.624 1.00 23.63 H new ATOM 0 HA LYS A 79 30.875 -1.851 17.367 1.00 24.63 H new ATOM 0 HB2 LYS A 79 33.010 -2.266 15.306 1.00 23.01 H new ATOM 0 HB3 LYS A 79 33.475 -2.430 16.988 1.00 23.01 H new ATOM 0 HG2 LYS A 79 31.048 -3.877 16.717 1.00 22.61 H new ATOM 0 HG3 LYS A 79 32.003 -4.277 15.303 1.00 22.61 H new ATOM 0 HD2 LYS A 79 33.657 -5.319 16.529 1.00 23.14 H new ATOM 0 HD3 LYS A 79 33.474 -4.245 17.902 1.00 23.14 H new ATOM 0 HE2 LYS A 79 31.470 -5.393 18.639 1.00 23.78 H new ATOM 0 HE3 LYS A 79 31.385 -6.323 17.157 1.00 23.78 H new ATOM 0 HZ1 LYS A 79 32.298 -7.631 18.961 1.00 24.44 H new ATOM 0 HZ2 LYS A 79 33.471 -7.413 17.753 1.00 24.44 H new ATOM 0 HZ3 LYS A 79 33.553 -6.511 19.189 1.00 24.44 H new ATOM 474 N LYS A 80 32.761 0.720 16.636 1.00 25.98 N ATOM 475 CA LYS A 80 33.447 1.879 17.194 1.00 27.33 C ATOM 476 C LYS A 80 32.488 2.740 18.010 1.00 29.44 C ATOM 477 O LYS A 80 32.893 3.406 18.963 1.00 31.07 O ATOM 478 CB LYS A 80 34.075 2.712 16.075 1.00 26.45 C ATOM 479 CG LYS A 80 35.078 3.741 16.571 1.00 24.99 C ATOM 480 CD LYS A 80 36.498 3.199 16.530 1.00 23.41 C ATOM 481 CE LYS A 80 36.830 2.414 17.788 1.00 24.37 C ATOM 482 NZ LYS A 80 38.301 2.305 18.003 1.00 24.91 N ATOM 0 H LYS A 80 32.666 0.736 15.621 1.00 25.98 H new ATOM 0 HA LYS A 80 34.235 1.520 17.856 1.00 27.33 H new ATOM 0 HB2 LYS A 80 34.571 2.044 15.371 1.00 26.45 H new ATOM 0 HB3 LYS A 80 33.284 3.223 15.526 1.00 26.45 H new ATOM 0 HG2 LYS A 80 35.013 4.640 15.958 1.00 24.99 H new ATOM 0 HG3 LYS A 80 34.828 4.032 17.591 1.00 24.99 H new ATOM 0 HD2 LYS A 80 36.619 2.558 15.657 1.00 23.41 H new ATOM 0 HD3 LYS A 80 37.201 4.025 16.419 1.00 23.41 H new ATOM 0 HE2 LYS A 80 36.372 2.899 18.650 1.00 24.37 H new ATOM 0 HE3 LYS A 80 36.398 1.416 17.717 1.00 24.37 H new ATOM 0 HZ1 LYS A 80 38.486 1.763 18.871 1.00 24.91 H new ATOM 0 HZ2 LYS A 80 38.735 1.819 17.192 1.00 24.91 H new ATOM 0 HZ3 LYS A 80 38.710 3.257 18.096 1.00 24.91 H new ATOM 496 N THR A 81 31.215 2.724 17.628 1.00 29.54 N ATOM 497 CA THR A 81 30.198 3.504 18.325 1.00 31.63 C ATOM 498 C THR A 81 29.967 2.967 19.732 1.00 33.84 C ATOM 499 O THR A 81 30.382 3.578 20.717 1.00 34.16 O ATOM 500 CB THR A 81 28.887 3.490 17.539 1.00 31.54 C ATOM 501 OG1 THR A 81 28.876 2.431 16.598 1.00 29.89 O ATOM 502 CG2 THR A 81 28.628 4.776 16.784 1.00 30.99 C ATOM 0 H THR A 81 30.863 2.180 16.840 1.00 29.54 H new ATOM 0 HA THR A 81 30.556 4.531 18.403 1.00 31.63 H new ATOM 0 HB THR A 81 28.105 3.362 18.287 1.00 31.54 H new ATOM 0 HG1 THR A 81 29.082 1.588 17.052 1.00 29.89 H new ATOM 0 HG21 THR A 81 27.682 4.699 16.248 1.00 30.99 H new ATOM 0 HG22 THR A 81 28.580 5.607 17.487 1.00 30.99 H new ATOM 0 HG23 THR A 81 29.435 4.949 16.072 1.00 30.99 H new ATOM 566 N ASP B 54 25.264 -6.166 18.561 1.00 32.39 N ATOM 567 CA ASP B 54 24.229 -5.717 17.638 1.00 29.57 C ATOM 568 C ASP B 54 24.844 -5.084 16.395 1.00 28.47 C ATOM 569 O ASP B 54 24.226 -5.052 15.330 1.00 27.06 O ATOM 570 CB ASP B 54 23.300 -4.716 18.330 1.00 28.73 C ATOM 571 CG ASP B 54 24.063 -3.608 19.030 1.00 28.55 C ATOM 572 OD1 ASP B 54 24.830 -2.895 18.351 1.00 28.07 O ATOM 573 OD2 ASP B 54 23.893 -3.456 20.258 1.00 29.04 O ATOM 0 HA ASP B 54 23.650 -6.587 17.329 1.00 29.57 H new ATOM 0 HB2 ASP B 54 22.626 -4.280 17.592 1.00 28.73 H new ATOM 0 HB3 ASP B 54 22.680 -5.242 19.056 1.00 28.73 H new ATOM 578 N ALA B 55 26.066 -4.580 16.534 1.00 29.24 N ATOM 579 CA ALA B 55 26.765 -3.950 15.421 1.00 28.44 C ATOM 580 C ALA B 55 26.895 -4.907 14.242 1.00 26.68 C ATOM 581 O ALA B 55 26.638 -4.536 13.097 1.00 24.85 O ATOM 582 CB ALA B 55 28.137 -3.464 15.865 1.00 30.67 C ATOM 0 H ALA B 55 26.593 -4.596 17.407 1.00 29.24 H new ATOM 0 HA ALA B 55 26.177 -3.092 15.095 1.00 28.44 H new ATOM 0 HB1 ALA B 55 28.647 -2.996 15.023 1.00 30.67 H new ATOM 0 HB2 ALA B 55 28.023 -2.738 16.670 1.00 30.67 H new ATOM 0 HB3 ALA B 55 28.725 -4.310 16.221 1.00 30.67 H new ATOM 588 N GLU B 56 27.294 -6.143 14.529 1.00 27.43 N ATOM 589 CA GLU B 56 27.455 -7.154 13.490 1.00 26.17 C ATOM 590 C GLU B 56 26.131 -7.417 12.782 1.00 23.92 C ATOM 591 O GLU B 56 26.079 -7.513 11.555 1.00 23.84 O ATOM 592 CB GLU B 56 27.991 -8.453 14.094 1.00 27.94 C ATOM 593 CG GLU B 56 28.851 -9.260 13.136 1.00 29.63 C ATOM 594 CD GLU B 56 29.017 -10.703 13.573 1.00 30.30 C ATOM 595 OE1 GLU B 56 29.196 -10.938 14.787 1.00 30.91 O ATOM 596 OE2 GLU B 56 28.968 -11.597 12.703 1.00 30.46 O ATOM 0 H GLU B 56 27.511 -6.468 15.471 1.00 27.43 H new ATOM 0 HA GLU B 56 28.171 -6.780 12.758 1.00 26.17 H new ATOM 0 HB2 GLU B 56 28.576 -8.216 14.983 1.00 27.94 H new ATOM 0 HB3 GLU B 56 27.151 -9.066 14.419 1.00 27.94 H new ATOM 0 HG2 GLU B 56 28.403 -9.235 12.143 1.00 29.63 H new ATOM 0 HG3 GLU B 56 29.833 -8.794 13.055 1.00 29.63 H new ATOM 603 N ARG B 57 25.062 -7.532 13.563 1.00 22.32 N ATOM 604 CA ARG B 57 23.736 -7.782 13.011 1.00 20.19 C ATOM 605 C ARG B 57 23.296 -6.629 12.117 1.00 18.72 C ATOM 606 O ARG B 57 22.593 -6.830 11.126 1.00 18.24 O ATOM 607 CB ARG B 57 22.723 -7.985 14.139 1.00 18.66 C ATOM 608 CG ARG B 57 23.020 -9.195 15.011 1.00 19.69 C ATOM 609 CD ARG B 57 21.777 -10.042 15.230 1.00 17.93 C ATOM 610 NE ARG B 57 21.760 -10.654 16.555 1.00 19.28 N ATOM 611 CZ ARG B 57 22.585 -11.627 16.926 1.00 20.24 C ATOM 612 NH1 ARG B 57 23.490 -12.092 16.076 1.00 19.92 N ATOM 613 NH2 ARG B 57 22.506 -12.135 18.148 1.00 21.57 N ATOM 0 H ARG B 57 25.088 -7.456 14.580 1.00 22.32 H new ATOM 0 HA ARG B 57 23.783 -8.689 12.408 1.00 20.19 H new ATOM 0 HB2 ARG B 57 22.704 -7.092 14.764 1.00 18.66 H new ATOM 0 HB3 ARG B 57 21.728 -8.093 13.708 1.00 18.66 H new ATOM 0 HG2 ARG B 57 23.796 -9.800 14.543 1.00 19.69 H new ATOM 0 HG3 ARG B 57 23.410 -8.864 15.973 1.00 19.69 H new ATOM 0 HD2 ARG B 57 20.889 -9.422 15.105 1.00 17.93 H new ATOM 0 HD3 ARG B 57 21.731 -10.822 14.470 1.00 17.93 H new ATOM 0 HE ARG B 57 21.077 -10.316 17.233 1.00 19.28 H new ATOM 0 HH11 ARG B 57 23.554 -11.703 15.135 1.00 19.92 H new ATOM 0 HH12 ARG B 57 24.123 -12.839 16.363 1.00 19.92 H new ATOM 0 HH21 ARG B 57 21.811 -11.779 18.804 1.00 21.57 H new ATOM 0 HH22 ARG B 57 23.140 -12.882 18.432 1.00 21.57 H new ATOM 627 N LEU B 58 23.720 -5.419 12.469 1.00 18.22 N ATOM 628 CA LEU B 58 23.375 -4.234 11.696 1.00 16.80 C ATOM 629 C LEU B 58 24.121 -4.222 10.368 1.00 16.59 C ATOM 630 O LEU B 58 23.512 -4.237 9.298 1.00 15.27 O ATOM 631 CB LEU B 58 23.701 -2.968 12.491 1.00 15.72 C ATOM 632 CG LEU B 58 22.748 -2.665 13.648 1.00 14.54 C ATOM 633 CD1 LEU B 58 23.416 -1.753 14.665 1.00 14.88 C ATOM 634 CD2 LEU B 58 21.465 -2.034 13.129 1.00 12.14 C ATOM 0 H LEU B 58 24.303 -5.235 13.285 1.00 18.22 H new ATOM 0 HA LEU B 58 22.304 -4.259 11.493 1.00 16.80 H new ATOM 0 HB2 LEU B 58 24.712 -3.057 12.888 1.00 15.72 H new ATOM 0 HB3 LEU B 58 23.700 -2.118 11.808 1.00 15.72 H new ATOM 0 HG LEU B 58 22.496 -3.604 14.141 1.00 14.54 H new ATOM 0 HD11 LEU B 58 22.723 -1.548 15.481 1.00 14.88 H new ATOM 0 HD12 LEU B 58 24.308 -2.240 15.060 1.00 14.88 H new ATOM 0 HD13 LEU B 58 23.697 -0.816 14.184 1.00 14.88 H new ATOM 0 HD21 LEU B 58 20.798 -1.825 13.965 1.00 12.14 H new ATOM 0 HD22 LEU B 58 21.700 -1.104 12.611 1.00 12.14 H new ATOM 0 HD23 LEU B 58 20.976 -2.720 12.438 1.00 12.14 H new ATOM 646 N ALA B 59 25.446 -4.198 10.448 1.00 17.92 N ATOM 647 CA ALA B 59 26.292 -4.188 9.259 1.00 17.90 C ATOM 648 C ALA B 59 25.841 -5.242 8.252 1.00 18.60 C ATOM 649 O ALA B 59 26.002 -5.070 7.044 1.00 18.79 O ATOM 650 CB ALA B 59 27.746 -4.416 9.647 1.00 17.93 C ATOM 0 H ALA B 59 25.961 -4.185 11.328 1.00 17.92 H new ATOM 0 HA ALA B 59 26.200 -3.210 8.786 1.00 17.90 H new ATOM 0 HB1 ALA B 59 28.367 -4.406 8.751 1.00 17.93 H new ATOM 0 HB2 ALA B 59 28.071 -3.625 10.322 1.00 17.93 H new ATOM 0 HB3 ALA B 59 27.843 -5.381 10.145 1.00 17.93 H new ATOM 656 N ASP B 60 25.276 -6.332 8.761 1.00 19.24 N ATOM 657 CA ASP B 60 24.799 -7.415 7.909 1.00 20.04 C ATOM 658 C ASP B 60 23.580 -6.975 7.105 1.00 18.04 C ATOM 659 O ASP B 60 23.591 -7.005 5.874 1.00 18.13 O ATOM 660 CB ASP B 60 24.455 -8.643 8.752 1.00 22.30 C ATOM 661 CG ASP B 60 24.988 -9.928 8.147 1.00 23.80 C ATOM 662 OD1 ASP B 60 25.938 -9.853 7.340 1.00 24.35 O ATOM 663 OD2 ASP B 60 24.457 -11.007 8.481 1.00 24.76 O ATOM 0 H ASP B 60 25.137 -6.489 9.759 1.00 19.24 H new ATOM 0 HA ASP B 60 25.596 -7.676 7.213 1.00 20.04 H new ATOM 0 HB2 ASP B 60 24.865 -8.519 9.754 1.00 22.30 H new ATOM 0 HB3 ASP B 60 23.373 -8.716 8.858 1.00 22.30 H new ATOM 668 N GLU B 61 22.529 -6.564 7.808 1.00 16.35 N ATOM 669 CA GLU B 61 21.303 -6.116 7.158 1.00 14.64 C ATOM 670 C GLU B 61 21.586 -4.946 6.222 1.00 12.42 C ATOM 671 O GLU B 61 20.904 -4.762 5.213 1.00 11.47 O ATOM 672 CB GLU B 61 20.265 -5.705 8.204 1.00 14.62 C ATOM 673 CG GLU B 61 19.542 -6.882 8.837 1.00 15.08 C ATOM 674 CD GLU B 61 18.127 -7.046 8.316 1.00 15.49 C ATOM 675 OE1 GLU B 61 17.280 -6.181 8.620 1.00 14.83 O ATOM 676 OE2 GLU B 61 17.868 -8.037 7.602 1.00 16.73 O ATOM 0 H GLU B 61 22.502 -6.532 8.827 1.00 16.35 H new ATOM 0 HA GLU B 61 20.907 -6.945 6.571 1.00 14.64 H new ATOM 0 HB2 GLU B 61 20.758 -5.129 8.987 1.00 14.62 H new ATOM 0 HB3 GLU B 61 19.532 -5.047 7.737 1.00 14.62 H new ATOM 0 HG2 GLU B 61 20.104 -7.796 8.644 1.00 15.08 H new ATOM 0 HG3 GLU B 61 19.514 -6.747 9.918 1.00 15.08 H new ATOM 683 N GLN B 62 22.598 -4.158 6.566 1.00 11.89 N ATOM 684 CA GLN B 62 22.980 -3.004 5.762 1.00 10.46 C ATOM 685 C GLN B 62 23.646 -3.446 4.464 1.00 9.61 C ATOM 686 O GLN B 62 23.429 -2.851 3.409 1.00 9.16 O ATOM 687 CB GLN B 62 23.928 -2.106 6.554 1.00 10.96 C ATOM 688 CG GLN B 62 23.504 -1.899 7.999 1.00 12.84 C ATOM 689 CD GLN B 62 23.141 -0.459 8.303 1.00 13.25 C ATOM 690 OE1 GLN B 62 23.385 0.440 7.497 1.00 13.17 O ATOM 691 NE2 GLN B 62 22.555 -0.233 9.473 1.00 14.28 N ATOM 0 H GLN B 62 23.170 -4.298 7.399 1.00 11.89 H new ATOM 0 HA GLN B 62 22.078 -2.444 5.514 1.00 10.46 H new ATOM 0 HB2 GLN B 62 24.927 -2.541 6.536 1.00 10.96 H new ATOM 0 HB3 GLN B 62 23.994 -1.136 6.061 1.00 10.96 H new ATOM 0 HG2 GLN B 62 22.649 -2.539 8.217 1.00 12.84 H new ATOM 0 HG3 GLN B 62 24.313 -2.212 8.659 1.00 12.84 H new ATOM 0 HE21 GLN B 62 22.372 -1.008 10.110 1.00 14.28 H new ATOM 0 HE22 GLN B 62 22.288 0.716 9.735 1.00 14.28 H new ATOM 700 N SER B 63 24.460 -4.494 4.551 1.00 10.26 N ATOM 701 CA SER B 63 25.160 -5.018 3.385 1.00 10.58 C ATOM 702 C SER B 63 24.184 -5.684 2.422 1.00 8.71 C ATOM 703 O SER B 63 24.094 -5.305 1.254 1.00 8.35 O ATOM 704 CB SER B 63 26.234 -6.018 3.815 1.00 12.85 C ATOM 705 OG SER B 63 25.854 -6.695 5.001 1.00 12.21 O ATOM 0 H SER B 63 24.650 -4.997 5.418 1.00 10.26 H new ATOM 0 HA SER B 63 25.637 -4.183 2.872 1.00 10.58 H new ATOM 0 HB2 SER B 63 26.402 -6.742 3.017 1.00 12.85 H new ATOM 0 HB3 SER B 63 27.177 -5.496 3.976 1.00 12.85 H new ATOM 0 HG SER B 63 24.907 -6.942 4.948 1.00 12.21 H new ATOM 711 N GLU B 64 23.450 -6.675 2.918 1.00 7.95 N ATOM 712 CA GLU B 64 22.478 -7.386 2.101 1.00 6.64 C ATOM 713 C GLU B 64 21.554 -6.403 1.391 1.00 4.89 C ATOM 714 O GLU B 64 21.066 -6.674 0.293 1.00 4.25 O ATOM 715 CB GLU B 64 21.661 -8.343 2.968 1.00 5.71 C ATOM 716 CG GLU B 64 21.276 -7.763 4.318 1.00 5.46 C ATOM 717 CD GLU B 64 19.774 -7.669 4.506 1.00 4.98 C ATOM 718 OE1 GLU B 64 19.136 -6.862 3.796 1.00 5.13 O ATOM 719 OE2 GLU B 64 19.236 -8.403 5.361 1.00 4.48 O ATOM 0 H GLU B 64 23.511 -7.003 3.882 1.00 7.95 H new ATOM 0 HA GLU B 64 23.015 -7.962 1.348 1.00 6.64 H new ATOM 0 HB2 GLU B 64 20.755 -8.623 2.431 1.00 5.71 H new ATOM 0 HB3 GLU B 64 22.234 -9.257 3.125 1.00 5.71 H new ATOM 0 HG2 GLU B 64 21.699 -8.382 5.109 1.00 5.46 H new ATOM 0 HG3 GLU B 64 21.714 -6.770 4.421 1.00 5.46 H new ATOM 726 N LEU B 65 21.324 -5.259 2.026 1.00 4.50 N ATOM 727 CA LEU B 65 20.467 -4.228 1.458 1.00 3.86 C ATOM 728 C LEU B 65 21.118 -3.611 0.226 1.00 2.76 C ATOM 729 O LEU B 65 20.494 -3.503 -0.831 1.00 3.37 O ATOM 730 CB LEU B 65 20.181 -3.143 2.499 1.00 3.17 C ATOM 731 CG LEU B 65 18.715 -2.719 2.607 1.00 5.34 C ATOM 732 CD1 LEU B 65 18.339 -2.472 4.060 1.00 6.34 C ATOM 733 CD2 LEU B 65 18.459 -1.476 1.770 1.00 5.42 C ATOM 0 H LEU B 65 21.720 -5.023 2.936 1.00 4.50 H new ATOM 0 HA LEU B 65 19.525 -4.689 1.161 1.00 3.86 H new ATOM 0 HB2 LEU B 65 20.513 -3.500 3.474 1.00 3.17 H new ATOM 0 HB3 LEU B 65 20.781 -2.265 2.260 1.00 3.17 H new ATOM 0 HG LEU B 65 18.092 -3.527 2.223 1.00 5.34 H new ATOM 0 HD11 LEU B 65 17.293 -2.171 4.119 1.00 6.34 H new ATOM 0 HD12 LEU B 65 18.487 -3.386 4.635 1.00 6.34 H new ATOM 0 HD13 LEU B 65 18.968 -1.681 4.469 1.00 6.34 H new ATOM 0 HD21 LEU B 65 17.412 -1.188 1.858 1.00 5.42 H new ATOM 0 HD22 LEU B 65 19.091 -0.662 2.125 1.00 5.42 H new ATOM 0 HD23 LEU B 65 18.691 -1.686 0.726 1.00 5.42 H new ATOM 745 N VAL B 66 22.378 -3.212 0.367 1.00 1.24 N ATOM 746 CA VAL B 66 23.116 -2.612 -0.738 1.00 0.88 C ATOM 747 C VAL B 66 23.161 -3.552 -1.936 1.00 2.24 C ATOM 748 O VAL B 66 23.185 -3.112 -3.086 1.00 3.03 O ATOM 749 CB VAL B 66 24.557 -2.259 -0.325 1.00 3.75 C ATOM 750 CG1 VAL B 66 25.267 -1.513 -1.446 1.00 4.72 C ATOM 751 CG2 VAL B 66 24.561 -1.440 0.956 1.00 5.16 C ATOM 0 H VAL B 66 22.908 -3.293 1.234 1.00 1.24 H new ATOM 0 HA VAL B 66 22.591 -1.697 -1.012 1.00 0.88 H new ATOM 0 HB VAL B 66 25.098 -3.186 -0.137 1.00 3.75 H new ATOM 0 HG11 VAL B 66 26.284 -1.272 -1.136 1.00 4.72 H new ATOM 0 HG12 VAL B 66 25.298 -2.140 -2.337 1.00 4.72 H new ATOM 0 HG13 VAL B 66 24.728 -0.592 -1.669 1.00 4.72 H new ATOM 0 HG21 VAL B 66 25.588 -1.200 1.232 1.00 5.16 H new ATOM 0 HG22 VAL B 66 24.003 -0.517 0.800 1.00 5.16 H new ATOM 0 HG23 VAL B 66 24.095 -2.015 1.757 1.00 5.16 H new ATOM 761 N LYS B 67 23.174 -4.851 -1.657 1.00 3.60 N ATOM 762 CA LYS B 67 23.219 -5.862 -2.706 1.00 5.75 C ATOM 763 C LYS B 67 21.999 -5.765 -3.617 1.00 7.55 C ATOM 764 O LYS B 67 22.131 -5.675 -4.836 1.00 8.18 O ATOM 765 CB LYS B 67 23.298 -7.261 -2.093 1.00 7.15 C ATOM 766 CG LYS B 67 23.261 -8.378 -3.124 1.00 6.98 C ATOM 767 CD LYS B 67 22.180 -9.397 -2.806 1.00 9.07 C ATOM 768 CE LYS B 67 21.467 -9.864 -4.065 1.00 9.41 C ATOM 769 NZ LYS B 67 20.211 -9.102 -4.308 1.00 10.01 N ATOM 0 H LYS B 67 23.154 -5.229 -0.710 1.00 3.60 H new ATOM 0 HA LYS B 67 24.111 -5.682 -3.306 1.00 5.75 H new ATOM 0 HB2 LYS B 67 24.217 -7.343 -1.513 1.00 7.15 H new ATOM 0 HB3 LYS B 67 22.469 -7.392 -1.398 1.00 7.15 H new ATOM 0 HG2 LYS B 67 23.084 -7.955 -4.113 1.00 6.98 H new ATOM 0 HG3 LYS B 67 24.231 -8.874 -3.159 1.00 6.98 H new ATOM 0 HD2 LYS B 67 22.624 -10.254 -2.299 1.00 9.07 H new ATOM 0 HD3 LYS B 67 21.457 -8.959 -2.118 1.00 9.07 H new ATOM 0 HE2 LYS B 67 22.132 -9.751 -4.922 1.00 9.41 H new ATOM 0 HE3 LYS B 67 21.236 -10.926 -3.979 1.00 9.41 H new ATOM 0 HZ1 LYS B 67 19.412 -9.764 -4.381 1.00 10.01 H new ATOM 0 HZ2 LYS B 67 20.046 -8.445 -3.519 1.00 10.01 H new ATOM 0 HZ3 LYS B 67 20.297 -8.565 -5.194 1.00 10.01 H new ATOM 783 N LYS B 68 20.813 -5.789 -3.020 1.00 8.77 N ATOM 784 CA LYS B 68 19.573 -5.707 -3.783 1.00 10.81 C ATOM 785 C LYS B 68 19.515 -4.420 -4.599 1.00 11.22 C ATOM 786 O LYS B 68 18.968 -4.396 -5.702 1.00 12.47 O ATOM 787 CB LYS B 68 18.366 -5.787 -2.846 1.00 10.85 C ATOM 788 CG LYS B 68 17.208 -6.591 -3.413 1.00 13.47 C ATOM 789 CD LYS B 68 15.914 -6.309 -2.667 1.00 14.98 C ATOM 790 CE LYS B 68 14.750 -7.089 -3.255 1.00 16.31 C ATOM 791 NZ LYS B 68 13.437 -6.548 -2.811 1.00 17.83 N ATOM 0 H LYS B 68 20.684 -5.864 -2.011 1.00 8.77 H new ATOM 0 HA LYS B 68 19.546 -6.551 -4.472 1.00 10.81 H new ATOM 0 HB2 LYS B 68 18.679 -6.232 -1.902 1.00 10.85 H new ATOM 0 HB3 LYS B 68 18.022 -4.777 -2.624 1.00 10.85 H new ATOM 0 HG2 LYS B 68 17.080 -6.351 -4.469 1.00 13.47 H new ATOM 0 HG3 LYS B 68 17.439 -7.655 -3.353 1.00 13.47 H new ATOM 0 HD2 LYS B 68 16.035 -6.571 -1.616 1.00 14.98 H new ATOM 0 HD3 LYS B 68 15.695 -5.242 -2.707 1.00 14.98 H new ATOM 0 HE2 LYS B 68 14.806 -7.058 -4.343 1.00 16.31 H new ATOM 0 HE3 LYS B 68 14.829 -8.136 -2.961 1.00 16.31 H new ATOM 0 HZ1 LYS B 68 12.670 -7.108 -3.234 1.00 17.83 H new ATOM 0 HZ2 LYS B 68 13.373 -6.600 -1.774 1.00 17.83 H new ATOM 0 HZ3 LYS B 68 13.350 -5.557 -3.114 1.00 17.83 H new ATOM 805 N MET B 69 20.080 -3.350 -4.049 1.00 10.69 N ATOM 806 CA MET B 69 20.090 -2.058 -4.726 1.00 11.69 C ATOM 807 C MET B 69 21.077 -2.055 -5.889 1.00 12.77 C ATOM 808 O MET B 69 20.761 -1.585 -6.983 1.00 13.25 O ATOM 809 CB MET B 69 20.443 -0.944 -3.738 1.00 10.31 C ATOM 810 CG MET B 69 20.541 0.430 -4.379 1.00 11.10 C ATOM 811 SD MET B 69 21.320 1.646 -3.298 1.00 11.16 S ATOM 812 CE MET B 69 22.899 0.862 -2.986 1.00 9.56 C ATOM 0 H MET B 69 20.537 -3.352 -3.137 1.00 10.69 H new ATOM 0 HA MET B 69 19.091 -1.879 -5.124 1.00 11.69 H new ATOM 0 HB2 MET B 69 19.689 -0.916 -2.951 1.00 10.31 H new ATOM 0 HB3 MET B 69 21.394 -1.181 -3.260 1.00 10.31 H new ATOM 0 HG2 MET B 69 21.111 0.355 -5.305 1.00 11.10 H new ATOM 0 HG3 MET B 69 19.542 0.774 -4.646 1.00 11.10 H new ATOM 0 HE1 MET B 69 23.674 1.624 -2.908 1.00 9.56 H new ATOM 0 HE2 MET B 69 22.848 0.299 -2.054 1.00 9.56 H new ATOM 0 HE3 MET B 69 23.137 0.185 -3.806 1.00 9.56 H new ATOM 822 N VAL B 70 22.273 -2.583 -5.648 1.00 13.33 N ATOM 823 CA VAL B 70 23.304 -2.639 -6.677 1.00 14.46 C ATOM 824 C VAL B 70 23.065 -3.802 -7.636 1.00 15.30 C ATOM 825 O VAL B 70 23.555 -3.798 -8.765 1.00 14.74 O ATOM 826 CB VAL B 70 24.708 -2.767 -6.054 1.00 13.70 C ATOM 827 CG1 VAL B 70 25.775 -2.858 -7.135 1.00 14.44 C ATOM 828 CG2 VAL B 70 24.982 -1.595 -5.124 1.00 11.67 C ATOM 0 H VAL B 70 22.551 -2.978 -4.750 1.00 13.33 H new ATOM 0 HA VAL B 70 23.250 -1.704 -7.235 1.00 14.46 H new ATOM 0 HB VAL B 70 24.742 -3.687 -5.471 1.00 13.70 H new ATOM 0 HG11 VAL B 70 26.757 -2.948 -6.670 1.00 14.44 H new ATOM 0 HG12 VAL B 70 25.587 -3.732 -7.759 1.00 14.44 H new ATOM 0 HG13 VAL B 70 25.746 -1.960 -7.751 1.00 14.44 H new ATOM 0 HG21 VAL B 70 25.977 -1.699 -4.691 1.00 11.67 H new ATOM 0 HG22 VAL B 70 24.926 -0.663 -5.687 1.00 11.67 H new ATOM 0 HG23 VAL B 70 24.239 -1.582 -4.326 1.00 11.67 H new ATOM 838 N PHE B 71 22.306 -4.794 -7.183 1.00 16.88 N ATOM 839 CA PHE B 71 22.001 -5.958 -8.006 1.00 18.13 C ATOM 840 C PHE B 71 21.083 -5.574 -9.160 1.00 19.58 C ATOM 841 O PHE B 71 21.247 -6.051 -10.283 1.00 19.58 O ATOM 842 CB PHE B 71 21.350 -7.053 -7.161 1.00 19.95 C ATOM 843 CG PHE B 71 20.967 -8.273 -7.950 1.00 21.23 C ATOM 844 CD1 PHE B 71 21.949 -9.058 -8.570 1.00 21.26 C ATOM 845 CD2 PHE B 71 19.621 -8.643 -8.080 1.00 22.62 C ATOM 846 CE1 PHE B 71 21.596 -10.192 -9.307 1.00 22.78 C ATOM 847 CE2 PHE B 71 19.262 -9.776 -8.816 1.00 24.00 C ATOM 848 CZ PHE B 71 20.250 -10.551 -9.430 1.00 24.13 C ATOM 0 H PHE B 71 21.891 -4.815 -6.251 1.00 16.88 H new ATOM 0 HA PHE B 71 22.936 -6.339 -8.417 1.00 18.13 H new ATOM 0 HB2 PHE B 71 22.038 -7.345 -6.367 1.00 19.95 H new ATOM 0 HB3 PHE B 71 20.460 -6.648 -6.679 1.00 19.95 H new ATOM 0 HD1 PHE B 71 22.989 -8.784 -8.477 1.00 21.26 H new ATOM 0 HD2 PHE B 71 18.854 -8.047 -7.607 1.00 22.62 H new ATOM 0 HE1 PHE B 71 22.361 -10.790 -9.780 1.00 22.78 H new ATOM 0 HE2 PHE B 71 18.222 -10.052 -8.910 1.00 24.00 H new ATOM 0 HZ PHE B 71 19.974 -11.426 -9.999 1.00 24.13 H new ATOM 858 N ASP B 72 20.119 -4.704 -8.876 1.00 21.01 N ATOM 859 CA ASP B 72 19.178 -4.251 -9.892 1.00 22.89 C ATOM 860 C ASP B 72 19.872 -3.337 -10.895 1.00 22.30 C ATOM 861 O ASP B 72 19.766 -3.530 -12.106 1.00 22.74 O ATOM 862 CB ASP B 72 18.004 -3.517 -9.243 1.00 24.78 C ATOM 863 CG ASP B 72 16.804 -3.414 -10.166 1.00 26.77 C ATOM 864 OD1 ASP B 72 17.007 -3.233 -11.384 1.00 28.40 O ATOM 865 OD2 ASP B 72 15.663 -3.516 -9.669 1.00 26.79 O ATOM 0 H ASP B 72 19.970 -4.300 -7.952 1.00 21.01 H new ATOM 0 HA ASP B 72 18.799 -5.126 -10.420 1.00 22.89 H new ATOM 0 HB2 ASP B 72 17.713 -4.038 -8.331 1.00 24.78 H new ATOM 0 HB3 ASP B 72 18.322 -2.516 -8.951 1.00 24.78 H new ATOM 870 N THR B 73 20.590 -2.343 -10.380 1.00 21.65 N ATOM 871 CA THR B 73 21.308 -1.401 -11.229 1.00 21.51 C ATOM 872 C THR B 73 22.203 -2.139 -12.217 1.00 21.77 C ATOM 873 O THR B 73 22.263 -1.792 -13.397 1.00 23.43 O ATOM 874 CB THR B 73 22.144 -0.451 -10.373 1.00 19.05 C ATOM 875 OG1 THR B 73 21.314 0.298 -9.504 1.00 19.29 O ATOM 876 CG2 THR B 73 22.962 0.529 -11.186 1.00 17.83 C ATOM 0 H THR B 73 20.689 -2.170 -9.380 1.00 21.65 H new ATOM 0 HA THR B 73 20.577 -0.821 -11.792 1.00 21.51 H new ATOM 0 HB THR B 73 22.828 -1.091 -9.815 1.00 19.05 H new ATOM 0 HG1 THR B 73 21.170 1.192 -9.879 1.00 19.29 H new ATOM 0 HG21 THR B 73 23.531 1.173 -10.515 1.00 17.83 H new ATOM 0 HG22 THR B 73 23.648 -0.018 -11.832 1.00 17.83 H new ATOM 0 HG23 THR B 73 22.297 1.139 -11.797 1.00 17.83 H new ATOM 884 N LEU B 74 22.895 -3.162 -11.727 1.00 20.25 N ATOM 885 CA LEU B 74 23.786 -3.953 -12.568 1.00 20.33 C ATOM 886 C LEU B 74 22.999 -4.677 -13.655 1.00 21.34 C ATOM 887 O LEU B 74 23.467 -4.821 -14.783 1.00 21.51 O ATOM 888 CB LEU B 74 24.557 -4.965 -11.718 1.00 18.44 C ATOM 889 CG LEU B 74 25.610 -4.359 -10.789 1.00 15.75 C ATOM 890 CD1 LEU B 74 26.070 -5.385 -9.765 1.00 15.20 C ATOM 891 CD2 LEU B 74 26.791 -3.835 -11.592 1.00 14.38 C ATOM 0 H LEU B 74 22.856 -3.463 -10.753 1.00 20.25 H new ATOM 0 HA LEU B 74 24.495 -3.277 -13.045 1.00 20.33 H new ATOM 0 HB2 LEU B 74 23.845 -5.529 -11.116 1.00 18.44 H new ATOM 0 HB3 LEU B 74 25.047 -5.677 -12.382 1.00 18.44 H new ATOM 0 HG LEU B 74 25.160 -3.521 -10.256 1.00 15.75 H new ATOM 0 HD11 LEU B 74 26.819 -4.937 -9.112 1.00 15.20 H new ATOM 0 HD12 LEU B 74 25.218 -5.711 -9.169 1.00 15.20 H new ATOM 0 HD13 LEU B 74 26.503 -6.243 -10.279 1.00 15.20 H new ATOM 0 HD21 LEU B 74 27.530 -3.407 -10.915 1.00 14.38 H new ATOM 0 HD22 LEU B 74 27.242 -4.654 -12.152 1.00 14.38 H new ATOM 0 HD23 LEU B 74 26.448 -3.068 -12.286 1.00 14.38 H new ATOM 903 N LYS B 75 21.798 -5.130 -13.307 1.00 22.15 N ATOM 904 CA LYS B 75 20.945 -5.836 -14.255 1.00 23.41 C ATOM 905 C LYS B 75 20.789 -5.033 -15.540 1.00 25.03 C ATOM 906 O LYS B 75 20.878 -5.577 -16.640 1.00 25.84 O ATOM 907 CB LYS B 75 19.573 -6.109 -13.639 1.00 22.97 C ATOM 908 CG LYS B 75 18.899 -7.356 -14.188 1.00 23.69 C ATOM 909 CD LYS B 75 18.485 -8.302 -13.073 1.00 22.42 C ATOM 910 CE LYS B 75 17.100 -7.969 -12.545 1.00 22.88 C ATOM 911 NZ LYS B 75 16.470 -9.135 -11.866 1.00 22.30 N ATOM 0 H LYS B 75 21.395 -5.020 -12.377 1.00 22.15 H new ATOM 0 HA LYS B 75 21.419 -6.788 -14.495 1.00 23.41 H new ATOM 0 HB2 LYS B 75 19.682 -6.210 -12.559 1.00 22.97 H new ATOM 0 HB3 LYS B 75 18.927 -5.249 -13.815 1.00 22.97 H new ATOM 0 HG2 LYS B 75 18.022 -7.071 -14.769 1.00 23.69 H new ATOM 0 HG3 LYS B 75 19.579 -7.869 -14.868 1.00 23.69 H new ATOM 0 HD2 LYS B 75 18.498 -9.328 -13.441 1.00 22.42 H new ATOM 0 HD3 LYS B 75 19.209 -8.246 -12.260 1.00 22.42 H new ATOM 0 HE2 LYS B 75 17.169 -7.135 -11.846 1.00 22.88 H new ATOM 0 HE3 LYS B 75 16.466 -7.643 -13.369 1.00 22.88 H new ATOM 0 HZ1 LYS B 75 15.527 -8.867 -11.520 1.00 22.30 H new ATOM 0 HZ2 LYS B 75 16.381 -9.922 -12.539 1.00 22.30 H new ATOM 0 HZ3 LYS B 75 17.062 -9.431 -11.064 1.00 22.30 H new ATOM 925 N ASP B 76 20.559 -3.734 -15.390 1.00 25.59 N ATOM 926 CA ASP B 76 20.396 -2.851 -16.534 1.00 27.19 C ATOM 927 C ASP B 76 21.743 -2.556 -17.181 1.00 27.90 C ATOM 928 O ASP B 76 21.848 -2.446 -18.403 1.00 29.40 O ATOM 929 CB ASP B 76 19.723 -1.545 -16.106 1.00 27.13 C ATOM 930 CG ASP B 76 18.225 -1.697 -15.932 1.00 28.84 C ATOM 931 OD1 ASP B 76 17.650 -2.633 -16.524 1.00 30.85 O ATOM 932 OD2 ASP B 76 17.626 -0.879 -15.202 1.00 28.27 O ATOM 0 H ASP B 76 20.481 -3.270 -14.485 1.00 25.59 H new ATOM 0 HA ASP B 76 19.762 -3.352 -17.265 1.00 27.19 H new ATOM 0 HB2 ASP B 76 20.162 -1.203 -15.169 1.00 27.13 H new ATOM 0 HB3 ASP B 76 19.923 -0.775 -16.851 1.00 27.13 H new ATOM 937 N LEU B 77 22.774 -2.434 -16.351 1.00 26.86 N ATOM 938 CA LEU B 77 24.121 -2.158 -16.835 1.00 27.47 C ATOM 939 C LEU B 77 24.570 -3.234 -17.817 1.00 28.55 C ATOM 940 O LEU B 77 25.175 -2.938 -18.847 1.00 29.98 O ATOM 941 CB LEU B 77 25.097 -2.083 -15.660 1.00 25.98 C ATOM 942 CG LEU B 77 25.177 -0.721 -14.968 1.00 24.62 C ATOM 943 CD1 LEU B 77 25.906 -0.841 -13.639 1.00 21.78 C ATOM 944 CD2 LEU B 77 25.869 0.293 -15.867 1.00 25.34 C ATOM 0 H LEU B 77 22.701 -2.522 -15.337 1.00 26.86 H new ATOM 0 HA LEU B 77 24.111 -1.199 -17.352 1.00 27.47 H new ATOM 0 HB2 LEU B 77 24.811 -2.832 -14.922 1.00 25.98 H new ATOM 0 HB3 LEU B 77 26.092 -2.351 -16.016 1.00 25.98 H new ATOM 0 HG LEU B 77 24.163 -0.373 -14.773 1.00 24.62 H new ATOM 0 HD11 LEU B 77 25.954 0.137 -13.161 1.00 21.78 H new ATOM 0 HD12 LEU B 77 25.371 -1.536 -12.992 1.00 21.78 H new ATOM 0 HD13 LEU B 77 26.917 -1.211 -13.811 1.00 21.78 H new ATOM 0 HD21 LEU B 77 25.917 1.256 -15.359 1.00 25.34 H new ATOM 0 HD22 LEU B 77 26.879 -0.050 -16.092 1.00 25.34 H new ATOM 0 HD23 LEU B 77 25.307 0.400 -16.795 1.00 25.34 H new ATOM 956 N TYR B 78 24.269 -4.486 -17.488 1.00 28.01 N ATOM 957 CA TYR B 78 24.638 -5.612 -18.337 1.00 29.13 C ATOM 958 C TYR B 78 23.629 -5.796 -19.465 1.00 31.34 C ATOM 959 O TYR B 78 23.986 -6.211 -20.568 1.00 31.29 O ATOM 960 CB TYR B 78 24.729 -6.893 -17.504 1.00 30.01 C ATOM 961 CG TYR B 78 26.104 -7.147 -16.930 1.00 28.68 C ATOM 962 CD1 TYR B 78 27.245 -7.113 -17.750 1.00 27.88 C ATOM 963 CD2 TYR B 78 26.275 -7.426 -15.562 1.00 28.35 C ATOM 964 CE1 TYR B 78 28.518 -7.349 -17.223 1.00 26.80 C ATOM 965 CE2 TYR B 78 27.544 -7.662 -15.028 1.00 27.40 C ATOM 966 CZ TYR B 78 28.662 -7.622 -15.862 1.00 26.63 C ATOM 967 OH TYR B 78 29.914 -7.854 -15.341 1.00 25.87 O ATOM 0 H TYR B 78 23.769 -4.746 -16.638 1.00 28.01 H new ATOM 0 HA TYR B 78 25.612 -5.401 -18.778 1.00 29.13 H new ATOM 0 HB2 TYR B 78 24.009 -6.837 -16.688 1.00 30.01 H new ATOM 0 HB3 TYR B 78 24.442 -7.741 -18.125 1.00 30.01 H new ATOM 0 HD1 TYR B 78 27.137 -6.901 -18.803 1.00 27.88 H new ATOM 0 HD2 TYR B 78 25.411 -7.458 -14.914 1.00 28.35 H new ATOM 0 HE1 TYR B 78 29.385 -7.320 -17.866 1.00 26.80 H new ATOM 0 HE2 TYR B 78 27.659 -7.874 -13.975 1.00 27.40 H new ATOM 0 HH TYR B 78 29.841 -8.027 -14.379 1.00 25.87 H new ATOM 977 N LYS B 79 22.369 -5.486 -19.181 1.00 33.32 N ATOM 978 CA LYS B 79 21.307 -5.618 -20.172 1.00 35.63 C ATOM 979 C LYS B 79 21.664 -4.869 -21.452 1.00 35.86 C ATOM 980 O LYS B 79 21.385 -5.339 -22.556 1.00 35.93 O ATOM 981 CB LYS B 79 19.986 -5.090 -19.608 1.00 36.00 C ATOM 982 CG LYS B 79 18.832 -5.158 -20.595 1.00 38.41 C ATOM 983 CD LYS B 79 18.160 -3.805 -20.760 1.00 40.04 C ATOM 984 CE LYS B 79 17.220 -3.504 -19.604 1.00 39.82 C ATOM 985 NZ LYS B 79 16.321 -2.356 -19.905 1.00 41.75 N ATOM 0 H LYS B 79 22.058 -5.142 -18.273 1.00 33.32 H new ATOM 0 HA LYS B 79 21.194 -6.676 -20.410 1.00 35.63 H new ATOM 0 HB2 LYS B 79 19.726 -5.663 -18.718 1.00 36.00 H new ATOM 0 HB3 LYS B 79 20.123 -4.056 -19.293 1.00 36.00 H new ATOM 0 HG2 LYS B 79 19.198 -5.504 -21.562 1.00 38.41 H new ATOM 0 HG3 LYS B 79 18.100 -5.889 -20.251 1.00 38.41 H new ATOM 0 HD2 LYS B 79 18.920 -3.026 -20.825 1.00 40.04 H new ATOM 0 HD3 LYS B 79 17.603 -3.786 -21.697 1.00 40.04 H new ATOM 0 HE2 LYS B 79 16.620 -4.387 -19.384 1.00 39.82 H new ATOM 0 HE3 LYS B 79 17.803 -3.284 -18.710 1.00 39.82 H new ATOM 0 HZ1 LYS B 79 15.696 -2.182 -19.092 1.00 41.75 H new ATOM 0 HZ2 LYS B 79 16.892 -1.507 -20.090 1.00 41.75 H new ATOM 0 HZ3 LYS B 79 15.746 -2.576 -20.743 1.00 41.75 H new ATOM 1103 N ALA C 55 26.842 13.184 18.750 1.00 34.88 N ATOM 1104 CA ALA C 55 26.328 11.910 18.264 1.00 33.52 C ATOM 1105 C ALA C 55 25.606 12.086 16.934 1.00 31.01 C ATOM 1106 O ALA C 55 25.734 11.258 16.032 1.00 29.72 O ATOM 1107 CB ALA C 55 25.400 11.286 19.296 1.00 34.24 C ATOM 0 HA ALA C 55 27.173 11.240 18.104 1.00 33.52 H new ATOM 0 HB1 ALA C 55 25.024 10.335 18.919 1.00 34.24 H new ATOM 0 HB2 ALA C 55 25.948 11.118 20.223 1.00 34.24 H new ATOM 0 HB3 ALA C 55 24.563 11.958 19.486 1.00 34.24 H new ATOM 1113 N GLU C 56 24.849 13.173 16.816 1.00 30.37 N ATOM 1114 CA GLU C 56 24.111 13.458 15.592 1.00 28.05 C ATOM 1115 C GLU C 56 25.068 13.774 14.451 1.00 27.35 C ATOM 1116 O GLU C 56 25.050 13.119 13.409 1.00 27.00 O ATOM 1117 CB GLU C 56 23.148 14.628 15.809 1.00 27.80 C ATOM 1118 CG GLU C 56 22.105 14.767 14.712 1.00 26.78 C ATOM 1119 CD GLU C 56 20.777 14.138 15.089 1.00 24.47 C ATOM 1120 OE1 GLU C 56 20.777 13.194 15.907 1.00 23.79 O ATOM 1121 OE2 GLU C 56 19.736 14.589 14.564 1.00 23.48 O ATOM 0 H GLU C 56 24.731 13.869 17.552 1.00 30.37 H new ATOM 0 HA GLU C 56 23.534 12.572 15.327 1.00 28.05 H new ATOM 0 HB2 GLU C 56 22.642 14.499 16.766 1.00 27.80 H new ATOM 0 HB3 GLU C 56 23.721 15.553 15.873 1.00 27.80 H new ATOM 0 HG2 GLU C 56 21.953 15.824 14.491 1.00 26.78 H new ATOM 0 HG3 GLU C 56 22.478 14.301 13.800 1.00 26.78 H new ATOM 1128 N ARG C 57 25.909 14.780 14.661 1.00 27.36 N ATOM 1129 CA ARG C 57 26.884 15.183 13.655 1.00 26.99 C ATOM 1130 C ARG C 57 27.804 14.019 13.311 1.00 25.53 C ATOM 1131 O ARG C 57 28.076 13.751 12.140 1.00 24.84 O ATOM 1132 CB ARG C 57 27.710 16.370 14.156 1.00 28.48 C ATOM 1133 CG ARG C 57 26.897 17.389 14.938 1.00 29.65 C ATOM 1134 CD ARG C 57 27.593 18.738 14.985 1.00 31.29 C ATOM 1135 NE ARG C 57 26.641 19.839 15.116 1.00 33.01 N ATOM 1136 CZ ARG C 57 25.791 20.193 14.159 1.00 33.02 C ATOM 1137 NH1 ARG C 57 25.779 19.541 13.004 1.00 31.35 N ATOM 1138 NH2 ARG C 57 24.951 21.200 14.355 1.00 34.81 N ATOM 0 H ARG C 57 25.935 15.331 15.519 1.00 27.36 H new ATOM 0 HA ARG C 57 26.345 15.484 12.757 1.00 26.99 H new ATOM 0 HB2 ARG C 57 28.517 16.000 14.788 1.00 28.48 H new ATOM 0 HB3 ARG C 57 28.174 16.865 13.303 1.00 28.48 H new ATOM 0 HG2 ARG C 57 25.914 17.501 14.480 1.00 29.65 H new ATOM 0 HG3 ARG C 57 26.736 17.026 15.953 1.00 29.65 H new ATOM 0 HD2 ARG C 57 28.289 18.758 15.824 1.00 31.29 H new ATOM 0 HD3 ARG C 57 28.183 18.874 14.078 1.00 31.29 H new ATOM 0 HE ARG C 57 26.629 20.364 15.990 1.00 33.01 H new ATOM 0 HH11 ARG C 57 26.424 18.766 12.849 1.00 31.35 H new ATOM 0 HH12 ARG C 57 25.125 19.815 12.271 1.00 31.35 H new ATOM 0 HH21 ARG C 57 24.957 21.704 15.242 1.00 34.81 H new ATOM 0 HH22 ARG C 57 24.299 21.471 13.619 1.00 34.81 H new ATOM 1152 N LEU C 58 28.275 13.329 14.342 1.00 25.30 N ATOM 1153 CA LEU C 58 29.160 12.185 14.161 1.00 24.12 C ATOM 1154 C LEU C 58 28.529 11.166 13.218 1.00 22.50 C ATOM 1155 O LEU C 58 29.138 10.758 12.230 1.00 22.80 O ATOM 1156 CB LEU C 58 29.466 11.530 15.510 1.00 23.52 C ATOM 1157 CG LEU C 58 30.572 12.205 16.323 1.00 25.17 C ATOM 1158 CD1 LEU C 58 30.940 11.357 17.530 1.00 25.17 C ATOM 1159 CD2 LEU C 58 31.793 12.456 15.453 1.00 25.29 C ATOM 0 H LEU C 58 28.058 13.543 15.316 1.00 25.30 H new ATOM 0 HA LEU C 58 30.093 12.539 13.721 1.00 24.12 H new ATOM 0 HB2 LEU C 58 28.554 11.519 16.106 1.00 23.52 H new ATOM 0 HB3 LEU C 58 29.746 10.491 15.337 1.00 23.52 H new ATOM 0 HG LEU C 58 30.201 13.166 16.680 1.00 25.17 H new ATOM 0 HD11 LEU C 58 31.728 11.853 18.096 1.00 25.17 H new ATOM 0 HD12 LEU C 58 30.063 11.228 18.165 1.00 25.17 H new ATOM 0 HD13 LEU C 58 31.293 10.381 17.195 1.00 25.17 H new ATOM 0 HD21 LEU C 58 32.570 12.937 16.047 1.00 25.29 H new ATOM 0 HD22 LEU C 58 32.166 11.507 15.067 1.00 25.29 H new ATOM 0 HD23 LEU C 58 31.520 13.104 14.620 1.00 25.29 H new ATOM 1171 N ALA C 59 27.300 10.764 13.531 1.00 20.86 N ATOM 1172 CA ALA C 59 26.581 9.799 12.710 1.00 19.35 C ATOM 1173 C ALA C 59 26.585 10.228 11.248 1.00 20.00 C ATOM 1174 O ALA C 59 26.681 9.396 10.345 1.00 20.39 O ATOM 1175 CB ALA C 59 25.155 9.637 13.213 1.00 18.01 C ATOM 0 H ALA C 59 26.783 11.092 14.347 1.00 20.86 H new ATOM 0 HA ALA C 59 27.088 8.837 12.785 1.00 19.35 H new ATOM 0 HB1 ALA C 59 24.630 8.913 12.590 1.00 18.01 H new ATOM 0 HB2 ALA C 59 25.171 9.285 14.244 1.00 18.01 H new ATOM 0 HB3 ALA C 59 24.641 10.597 13.165 1.00 18.01 H new ATOM 1181 N ASP C 60 26.484 11.533 11.023 1.00 20.21 N ATOM 1182 CA ASP C 60 26.482 12.078 9.672 1.00 20.82 C ATOM 1183 C ASP C 60 27.878 12.009 9.065 1.00 21.51 C ATOM 1184 O ASP C 60 28.033 11.857 7.853 1.00 21.64 O ATOM 1185 CB ASP C 60 25.987 13.525 9.682 1.00 21.06 C ATOM 1186 CG ASP C 60 25.986 14.145 8.299 1.00 20.43 C ATOM 1187 OD1 ASP C 60 27.083 14.335 7.732 1.00 22.06 O ATOM 1188 OD2 ASP C 60 24.888 14.439 7.781 1.00 18.49 O ATOM 0 H ASP C 60 26.402 12.233 11.760 1.00 20.21 H new ATOM 0 HA ASP C 60 25.806 11.478 9.062 1.00 20.82 H new ATOM 0 HB2 ASP C 60 24.978 13.558 10.093 1.00 21.06 H new ATOM 0 HB3 ASP C 60 26.620 14.118 10.343 1.00 21.06 H new ATOM 1193 N GLU C 61 28.891 12.116 9.918 1.00 21.95 N ATOM 1194 CA GLU C 61 30.277 12.060 9.469 1.00 22.63 C ATOM 1195 C GLU C 61 30.668 10.632 9.107 1.00 22.34 C ATOM 1196 O GLU C 61 31.279 10.388 8.068 1.00 22.98 O ATOM 1197 CB GLU C 61 31.210 12.599 10.556 1.00 22.81 C ATOM 1198 CG GLU C 61 32.454 13.279 10.010 1.00 22.49 C ATOM 1199 CD GLU C 61 33.501 13.525 11.078 1.00 22.87 C ATOM 1200 OE1 GLU C 61 33.330 13.014 12.205 1.00 23.54 O ATOM 1201 OE2 GLU C 61 34.492 14.228 10.788 1.00 22.71 O ATOM 0 H GLU C 61 28.778 12.242 10.924 1.00 21.95 H new ATOM 0 HA GLU C 61 30.373 12.683 8.579 1.00 22.63 H new ATOM 0 HB2 GLU C 61 30.661 13.308 11.175 1.00 22.81 H new ATOM 0 HB3 GLU C 61 31.511 11.776 11.205 1.00 22.81 H new ATOM 0 HG2 GLU C 61 32.884 12.662 9.221 1.00 22.49 H new ATOM 0 HG3 GLU C 61 32.174 14.229 9.555 1.00 22.49 H new ATOM 1208 N GLN C 62 30.303 9.693 9.972 1.00 21.39 N ATOM 1209 CA GLN C 62 30.608 8.285 9.746 1.00 21.05 C ATOM 1210 C GLN C 62 30.027 7.819 8.414 1.00 19.03 C ATOM 1211 O GLN C 62 30.714 7.183 7.615 1.00 19.61 O ATOM 1212 CB GLN C 62 30.051 7.430 10.886 1.00 20.61 C ATOM 1213 CG GLN C 62 30.587 7.817 12.254 1.00 23.28 C ATOM 1214 CD GLN C 62 32.102 7.825 12.307 1.00 24.16 C ATOM 1215 OE1 GLN C 62 32.766 7.205 11.475 1.00 24.10 O ATOM 1216 NE2 GLN C 62 32.657 8.528 13.286 1.00 25.05 N ATOM 0 H GLN C 62 29.795 9.881 10.837 1.00 21.39 H new ATOM 0 HA GLN C 62 31.691 8.170 9.715 1.00 21.05 H new ATOM 0 HB2 GLN C 62 28.964 7.513 10.894 1.00 20.61 H new ATOM 0 HB3 GLN C 62 30.289 6.384 10.694 1.00 20.61 H new ATOM 0 HG2 GLN C 62 30.213 8.806 12.520 1.00 23.28 H new ATOM 0 HG3 GLN C 62 30.205 7.120 13.000 1.00 23.28 H new ATOM 0 HE21 GLN C 62 32.068 9.026 13.953 1.00 25.05 H new ATOM 0 HE22 GLN C 62 33.673 8.570 13.371 1.00 25.05 H new ATOM 1225 N SER C 63 28.760 8.146 8.183 1.00 16.88 N ATOM 1226 CA SER C 63 28.087 7.766 6.947 1.00 15.02 C ATOM 1227 C SER C 63 28.822 8.335 5.739 1.00 14.86 C ATOM 1228 O SER C 63 28.965 7.666 4.715 1.00 13.22 O ATOM 1229 CB SER C 63 26.638 8.254 6.957 1.00 15.22 C ATOM 1230 OG SER C 63 26.558 9.610 7.362 1.00 16.86 O ATOM 0 H SER C 63 28.179 8.673 8.835 1.00 16.88 H new ATOM 0 HA SER C 63 28.091 6.678 6.876 1.00 15.02 H new ATOM 0 HB2 SER C 63 26.207 8.143 5.962 1.00 15.22 H new ATOM 0 HB3 SER C 63 26.047 7.634 7.632 1.00 15.22 H new ATOM 0 HG SER C 63 26.588 9.662 8.340 1.00 16.86 H new ATOM 1236 N GLU C 64 29.290 9.573 5.867 1.00 16.87 N ATOM 1237 CA GLU C 64 30.014 10.230 4.786 1.00 17.40 C ATOM 1238 C GLU C 64 31.245 9.421 4.396 1.00 16.60 C ATOM 1239 O GLU C 64 31.695 9.465 3.251 1.00 17.19 O ATOM 1240 CB GLU C 64 30.428 11.643 5.205 1.00 20.10 C ATOM 1241 CG GLU C 64 29.551 12.735 4.612 1.00 21.41 C ATOM 1242 CD GLU C 64 30.332 13.702 3.742 1.00 23.75 C ATOM 1243 OE1 GLU C 64 31.405 13.310 3.237 1.00 24.95 O ATOM 1244 OE2 GLU C 64 29.871 14.849 3.567 1.00 24.48 O ATOM 0 H GLU C 64 29.181 10.140 6.708 1.00 16.87 H new ATOM 0 HA GLU C 64 29.353 10.297 3.922 1.00 17.40 H new ATOM 0 HB2 GLU C 64 30.397 11.714 6.292 1.00 20.10 H new ATOM 0 HB3 GLU C 64 31.461 11.814 4.903 1.00 20.10 H new ATOM 0 HG2 GLU C 64 28.758 12.278 4.020 1.00 21.41 H new ATOM 0 HG3 GLU C 64 29.068 13.286 5.419 1.00 21.41 H new ATOM 1251 N LEU C 65 31.783 8.676 5.356 1.00 15.34 N ATOM 1252 CA LEU C 65 32.955 7.848 5.109 1.00 14.56 C ATOM 1253 C LEU C 65 32.552 6.578 4.369 1.00 13.83 C ATOM 1254 O LEU C 65 33.295 6.072 3.527 1.00 14.38 O ATOM 1255 CB LEU C 65 33.647 7.494 6.426 1.00 14.47 C ATOM 1256 CG LEU C 65 34.313 8.670 7.142 1.00 14.75 C ATOM 1257 CD1 LEU C 65 34.661 8.294 8.574 1.00 13.89 C ATOM 1258 CD2 LEU C 65 35.557 9.117 6.389 1.00 16.53 C ATOM 0 H LEU C 65 31.426 8.629 6.310 1.00 15.34 H new ATOM 0 HA LEU C 65 33.654 8.411 4.491 1.00 14.56 H new ATOM 0 HB2 LEU C 65 32.912 7.048 7.097 1.00 14.47 H new ATOM 0 HB3 LEU C 65 34.402 6.733 6.229 1.00 14.47 H new ATOM 0 HG LEU C 65 33.609 9.502 7.167 1.00 14.75 H new ATOM 0 HD11 LEU C 65 35.134 9.143 9.068 1.00 13.89 H new ATOM 0 HD12 LEU C 65 33.752 8.023 9.110 1.00 13.89 H new ATOM 0 HD13 LEU C 65 35.347 7.447 8.571 1.00 13.89 H new ATOM 0 HD21 LEU C 65 36.018 9.954 6.913 1.00 16.53 H new ATOM 0 HD22 LEU C 65 36.265 8.290 6.333 1.00 16.53 H new ATOM 0 HD23 LEU C 65 35.281 9.427 5.381 1.00 16.53 H new ATOM 1270 N VAL C 66 31.363 6.076 4.685 1.00 12.87 N ATOM 1271 CA VAL C 66 30.845 4.876 4.050 1.00 12.18 C ATOM 1272 C VAL C 66 30.339 5.187 2.645 1.00 10.75 C ATOM 1273 O VAL C 66 30.603 4.446 1.699 1.00 10.51 O ATOM 1274 CB VAL C 66 29.700 4.254 4.872 1.00 12.81 C ATOM 1275 CG1 VAL C 66 29.148 3.016 4.180 1.00 12.13 C ATOM 1276 CG2 VAL C 66 30.175 3.919 6.278 1.00 14.42 C ATOM 0 H VAL C 66 30.740 6.486 5.381 1.00 12.87 H new ATOM 0 HA VAL C 66 31.666 4.161 3.994 1.00 12.18 H new ATOM 0 HB VAL C 66 28.895 4.986 4.946 1.00 12.81 H new ATOM 0 HG11 VAL C 66 28.341 2.594 4.779 1.00 12.13 H new ATOM 0 HG12 VAL C 66 28.766 3.289 3.196 1.00 12.13 H new ATOM 0 HG13 VAL C 66 29.942 2.277 4.069 1.00 12.13 H new ATOM 0 HG21 VAL C 66 29.354 3.481 6.845 1.00 14.42 H new ATOM 0 HG22 VAL C 66 30.999 3.207 6.224 1.00 14.42 H new ATOM 0 HG23 VAL C 66 30.513 4.829 6.774 1.00 14.42 H new ATOM 1286 N LYS C 67 29.613 6.295 2.519 1.00 10.22 N ATOM 1287 CA LYS C 67 29.074 6.712 1.231 1.00 8.95 C ATOM 1288 C LYS C 67 30.199 6.924 0.224 1.00 8.33 C ATOM 1289 O LYS C 67 30.099 6.512 -0.932 1.00 7.95 O ATOM 1290 CB LYS C 67 28.244 7.992 1.388 1.00 10.52 C ATOM 1291 CG LYS C 67 29.076 9.255 1.542 1.00 13.22 C ATOM 1292 CD LYS C 67 28.197 10.481 1.737 1.00 14.24 C ATOM 1293 CE LYS C 67 27.507 10.882 0.442 1.00 14.62 C ATOM 1294 NZ LYS C 67 26.817 12.196 0.566 1.00 14.83 N ATOM 0 H LYS C 67 29.386 6.919 3.293 1.00 10.22 H new ATOM 0 HA LYS C 67 28.423 5.922 0.857 1.00 8.95 H new ATOM 0 HB2 LYS C 67 27.595 8.101 0.519 1.00 10.52 H new ATOM 0 HB3 LYS C 67 27.596 7.888 2.258 1.00 10.52 H new ATOM 0 HG2 LYS C 67 29.747 9.148 2.394 1.00 13.22 H new ATOM 0 HG3 LYS C 67 29.701 9.390 0.659 1.00 13.22 H new ATOM 0 HD2 LYS C 67 27.448 10.275 2.501 1.00 14.24 H new ATOM 0 HD3 LYS C 67 28.803 11.311 2.100 1.00 14.24 H new ATOM 0 HE2 LYS C 67 28.242 10.932 -0.361 1.00 14.62 H new ATOM 0 HE3 LYS C 67 26.783 10.116 0.164 1.00 14.62 H new ATOM 0 HZ1 LYS C 67 26.359 12.434 -0.337 1.00 14.83 H new ATOM 0 HZ2 LYS C 67 26.098 12.141 1.315 1.00 14.83 H new ATOM 0 HZ3 LYS C 67 27.512 12.932 0.806 1.00 14.83 H new ATOM 1308 N LYS C 68 31.275 7.563 0.673 1.00 8.71 N ATOM 1309 CA LYS C 68 32.423 7.820 -0.186 1.00 8.87 C ATOM 1310 C LYS C 68 33.051 6.507 -0.635 1.00 8.53 C ATOM 1311 O LYS C 68 33.481 6.369 -1.781 1.00 10.14 O ATOM 1312 CB LYS C 68 33.461 8.672 0.547 1.00 11.15 C ATOM 1313 CG LYS C 68 34.523 9.260 -0.369 1.00 12.01 C ATOM 1314 CD LYS C 68 35.919 8.813 0.037 1.00 11.78 C ATOM 1315 CE LYS C 68 36.351 9.454 1.345 1.00 12.69 C ATOM 1316 NZ LYS C 68 37.625 10.211 1.199 1.00 13.62 N ATOM 0 H LYS C 68 31.375 7.912 1.626 1.00 8.71 H new ATOM 0 HA LYS C 68 32.080 8.366 -1.064 1.00 8.87 H new ATOM 0 HB2 LYS C 68 32.951 9.484 1.066 1.00 11.15 H new ATOM 0 HB3 LYS C 68 33.947 8.062 1.308 1.00 11.15 H new ATOM 0 HG2 LYS C 68 34.327 8.956 -1.397 1.00 12.01 H new ATOM 0 HG3 LYS C 68 34.466 10.348 -0.342 1.00 12.01 H new ATOM 0 HD2 LYS C 68 35.940 7.728 0.138 1.00 11.78 H new ATOM 0 HD3 LYS C 68 36.628 9.073 -0.749 1.00 11.78 H new ATOM 0 HE2 LYS C 68 35.568 10.126 1.696 1.00 12.69 H new ATOM 0 HE3 LYS C 68 36.473 8.682 2.105 1.00 12.69 H new ATOM 0 HZ1 LYS C 68 37.885 10.633 2.113 1.00 13.62 H new ATOM 0 HZ2 LYS C 68 38.379 9.565 0.889 1.00 13.62 H new ATOM 0 HZ3 LYS C 68 37.502 10.964 0.493 1.00 13.62 H new ATOM 1330 N MET C 69 33.094 5.540 0.276 1.00 6.89 N ATOM 1331 CA MET C 69 33.660 4.233 -0.021 1.00 6.83 C ATOM 1332 C MET C 69 32.831 3.523 -1.086 1.00 5.36 C ATOM 1333 O MET C 69 33.373 2.926 -2.015 1.00 5.37 O ATOM 1334 CB MET C 69 33.726 3.381 1.247 1.00 7.17 C ATOM 1335 CG MET C 69 34.268 1.980 1.012 1.00 6.72 C ATOM 1336 SD MET C 69 34.331 0.999 2.524 1.00 6.87 S ATOM 1337 CE MET C 69 32.598 0.966 2.978 1.00 6.65 C ATOM 0 H MET C 69 32.742 5.640 1.228 1.00 6.89 H new ATOM 0 HA MET C 69 34.671 4.375 -0.402 1.00 6.83 H new ATOM 0 HB2 MET C 69 34.354 3.886 1.981 1.00 7.17 H new ATOM 0 HB3 MET C 69 32.727 3.308 1.678 1.00 7.17 H new ATOM 0 HG2 MET C 69 33.643 1.471 0.279 1.00 6.72 H new ATOM 0 HG3 MET C 69 35.269 2.048 0.585 1.00 6.72 H new ATOM 0 HE1 MET C 69 32.355 -0.002 3.415 1.00 6.65 H new ATOM 0 HE2 MET C 69 32.397 1.753 3.705 1.00 6.65 H new ATOM 0 HE3 MET C 69 31.986 1.127 2.090 1.00 6.65 H new ATOM 1347 N VAL C 70 31.511 3.600 -0.945 1.00 4.97 N ATOM 1348 CA VAL C 70 30.604 2.973 -1.895 1.00 5.78 C ATOM 1349 C VAL C 70 30.636 3.707 -3.231 1.00 5.91 C ATOM 1350 O VAL C 70 30.649 3.082 -4.291 1.00 5.78 O ATOM 1351 CB VAL C 70 29.158 2.936 -1.348 1.00 6.68 C ATOM 1352 CG1 VAL C 70 28.167 2.486 -2.416 1.00 8.67 C ATOM 1353 CG2 VAL C 70 29.081 2.023 -0.136 1.00 5.18 C ATOM 0 H VAL C 70 31.047 4.091 -0.181 1.00 4.97 H new ATOM 0 HA VAL C 70 30.940 1.947 -2.045 1.00 5.78 H new ATOM 0 HB VAL C 70 28.886 3.949 -1.050 1.00 6.68 H new ATOM 0 HG11 VAL C 70 27.161 2.472 -1.996 1.00 8.67 H new ATOM 0 HG12 VAL C 70 28.199 3.178 -3.257 1.00 8.67 H new ATOM 0 HG13 VAL C 70 28.431 1.486 -2.759 1.00 8.67 H new ATOM 0 HG21 VAL C 70 28.058 2.004 0.241 1.00 5.18 H new ATOM 0 HG22 VAL C 70 29.381 1.015 -0.420 1.00 5.18 H new ATOM 0 HG23 VAL C 70 29.748 2.394 0.642 1.00 5.18 H new ATOM 1363 N PHE C 71 30.654 5.035 -3.176 1.00 6.55 N ATOM 1364 CA PHE C 71 30.692 5.841 -4.388 1.00 7.08 C ATOM 1365 C PHE C 71 31.835 5.391 -5.289 1.00 7.96 C ATOM 1366 O PHE C 71 31.611 4.909 -6.397 1.00 8.36 O ATOM 1367 CB PHE C 71 30.844 7.326 -4.048 1.00 7.00 C ATOM 1368 CG PHE C 71 31.089 8.190 -5.254 1.00 7.21 C ATOM 1369 CD1 PHE C 71 30.294 8.049 -6.400 1.00 7.18 C ATOM 1370 CD2 PHE C 71 32.120 9.138 -5.257 1.00 7.97 C ATOM 1371 CE1 PHE C 71 30.524 8.839 -7.529 1.00 7.64 C ATOM 1372 CE2 PHE C 71 32.353 9.934 -6.384 1.00 8.83 C ATOM 1373 CZ PHE C 71 31.554 9.782 -7.521 1.00 8.55 C ATOM 0 H PHE C 71 30.643 5.572 -2.309 1.00 6.55 H new ATOM 0 HA PHE C 71 29.750 5.703 -4.918 1.00 7.08 H new ATOM 0 HB2 PHE C 71 29.943 7.670 -3.541 1.00 7.00 H new ATOM 0 HB3 PHE C 71 31.670 7.449 -3.348 1.00 7.00 H new ATOM 0 HD1 PHE C 71 29.495 7.322 -6.410 1.00 7.18 H new ATOM 0 HD2 PHE C 71 32.741 9.256 -4.381 1.00 7.97 H new ATOM 0 HE1 PHE C 71 29.906 8.721 -8.407 1.00 7.64 H new ATOM 0 HE2 PHE C 71 33.149 10.664 -6.375 1.00 8.83 H new ATOM 0 HZ PHE C 71 31.733 10.394 -8.393 1.00 8.55 H new ATOM 1383 N ASP C 72 33.064 5.549 -4.806 1.00 8.30 N ATOM 1384 CA ASP C 72 34.240 5.155 -5.572 1.00 9.20 C ATOM 1385 C ASP C 72 34.099 3.722 -6.074 1.00 9.85 C ATOM 1386 O ASP C 72 34.427 3.422 -7.222 1.00 11.12 O ATOM 1387 CB ASP C 72 35.502 5.289 -4.719 1.00 9.14 C ATOM 1388 CG ASP C 72 36.737 5.564 -5.554 1.00 9.14 C ATOM 1389 OD1 ASP C 72 37.225 4.627 -6.219 1.00 10.45 O ATOM 1390 OD2 ASP C 72 37.217 6.718 -5.541 1.00 8.14 O ATOM 0 H ASP C 72 33.270 5.946 -3.890 1.00 8.30 H new ATOM 0 HA ASP C 72 34.324 5.819 -6.432 1.00 9.20 H new ATOM 0 HB2 ASP C 72 35.367 6.096 -3.999 1.00 9.14 H new ATOM 0 HB3 ASP C 72 35.650 4.373 -4.147 1.00 9.14 H new ATOM 1395 N THR C 73 33.601 2.841 -5.211 1.00 9.33 N ATOM 1396 CA THR C 73 33.410 1.444 -5.576 1.00 9.82 C ATOM 1397 C THR C 73 32.371 1.325 -6.685 1.00 11.44 C ATOM 1398 O THR C 73 32.701 1.018 -7.830 1.00 13.13 O ATOM 1399 CB THR C 73 32.976 0.626 -4.353 1.00 7.89 C ATOM 1400 OG1 THR C 73 34.049 0.487 -3.439 1.00 7.19 O ATOM 1401 CG2 THR C 73 32.483 -0.768 -4.695 1.00 6.58 C ATOM 0 H THR C 73 33.324 3.071 -4.257 1.00 9.33 H new ATOM 0 HA THR C 73 34.358 1.048 -5.940 1.00 9.82 H new ATOM 0 HB THR C 73 32.148 1.185 -3.917 1.00 7.89 H new ATOM 0 HG1 THR C 73 34.051 1.246 -2.820 1.00 7.19 H new ATOM 0 HG21 THR C 73 32.194 -1.286 -3.781 1.00 6.58 H new ATOM 0 HG22 THR C 73 31.622 -0.697 -5.359 1.00 6.58 H new ATOM 0 HG23 THR C 73 33.279 -1.324 -5.191 1.00 6.58 H new ATOM 1409 N LEU C 74 31.114 1.576 -6.337 1.00 11.24 N ATOM 1410 CA LEU C 74 30.026 1.501 -7.303 1.00 13.10 C ATOM 1411 C LEU C 74 30.351 2.310 -8.553 1.00 13.25 C ATOM 1412 O LEU C 74 29.976 1.936 -9.663 1.00 14.18 O ATOM 1413 CB LEU C 74 28.728 1.999 -6.671 1.00 13.89 C ATOM 1414 CG LEU C 74 28.201 1.137 -5.524 1.00 12.54 C ATOM 1415 CD1 LEU C 74 26.771 1.518 -5.187 1.00 14.81 C ATOM 1416 CD2 LEU C 74 28.296 -0.340 -5.882 1.00 11.17 C ATOM 0 H LEU C 74 30.824 1.833 -5.393 1.00 11.24 H new ATOM 0 HA LEU C 74 29.900 0.459 -7.597 1.00 13.10 H new ATOM 0 HB2 LEU C 74 28.886 3.013 -6.302 1.00 13.89 H new ATOM 0 HB3 LEU C 74 27.962 2.057 -7.445 1.00 13.89 H new ATOM 0 HG LEU C 74 28.818 1.316 -4.643 1.00 12.54 H new ATOM 0 HD11 LEU C 74 26.412 0.894 -4.368 1.00 14.81 H new ATOM 0 HD12 LEU C 74 26.734 2.566 -4.888 1.00 14.81 H new ATOM 0 HD13 LEU C 74 26.139 1.368 -6.062 1.00 14.81 H new ATOM 0 HD21 LEU C 74 27.917 -0.940 -5.055 1.00 11.17 H new ATOM 0 HD22 LEU C 74 27.703 -0.537 -6.775 1.00 11.17 H new ATOM 0 HD23 LEU C 74 29.337 -0.602 -6.073 1.00 11.17 H new ATOM 1428 N LYS C 75 31.060 3.415 -8.362 1.00 12.33 N ATOM 1429 CA LYS C 75 31.449 4.275 -9.471 1.00 12.36 C ATOM 1430 C LYS C 75 32.234 3.479 -10.504 1.00 12.45 C ATOM 1431 O LYS C 75 31.784 3.285 -11.634 1.00 13.19 O ATOM 1432 CB LYS C 75 32.296 5.444 -8.964 1.00 10.58 C ATOM 1433 CG LYS C 75 32.777 6.376 -10.063 1.00 10.72 C ATOM 1434 CD LYS C 75 33.177 7.732 -9.504 1.00 10.05 C ATOM 1435 CE LYS C 75 34.686 7.919 -9.523 1.00 9.22 C ATOM 1436 NZ LYS C 75 35.179 8.585 -8.286 1.00 9.82 N ATOM 0 H LYS C 75 31.378 3.737 -7.448 1.00 12.33 H new ATOM 0 HA LYS C 75 30.546 4.668 -9.937 1.00 12.36 H new ATOM 0 HB2 LYS C 75 31.712 6.018 -8.244 1.00 10.58 H new ATOM 0 HB3 LYS C 75 33.161 5.049 -8.431 1.00 10.58 H new ATOM 0 HG2 LYS C 75 33.627 5.927 -10.577 1.00 10.72 H new ATOM 0 HG3 LYS C 75 31.988 6.505 -10.804 1.00 10.72 H new ATOM 0 HD2 LYS C 75 32.704 8.521 -10.088 1.00 10.05 H new ATOM 0 HD3 LYS C 75 32.810 7.828 -8.482 1.00 10.05 H new ATOM 0 HE2 LYS C 75 35.171 6.949 -9.631 1.00 9.22 H new ATOM 0 HE3 LYS C 75 34.967 8.514 -10.392 1.00 9.22 H new ATOM 0 HZ1 LYS C 75 35.824 9.360 -8.542 1.00 9.82 H new ATOM 0 HZ2 LYS C 75 34.372 8.968 -7.753 1.00 9.82 H new ATOM 0 HZ3 LYS C 75 35.686 7.893 -7.698 1.00 9.82 H new ATOM 1450 N ASP C 76 33.410 3.017 -10.101 1.00 12.10 N ATOM 1451 CA ASP C 76 34.269 2.233 -10.979 1.00 12.85 C ATOM 1452 C ASP C 76 33.633 0.884 -11.303 1.00 14.92 C ATOM 1453 O ASP C 76 33.843 0.334 -12.385 1.00 16.36 O ATOM 1454 CB ASP C 76 35.638 2.021 -10.329 1.00 11.94 C ATOM 1455 CG ASP C 76 36.760 2.660 -11.122 1.00 13.44 C ATOM 1456 OD1 ASP C 76 36.480 3.601 -11.894 1.00 14.34 O ATOM 1457 OD2 ASP C 76 37.919 2.222 -10.970 1.00 14.10 O ATOM 0 H ASP C 76 33.792 3.172 -9.168 1.00 12.10 H new ATOM 0 HA ASP C 76 34.396 2.786 -11.910 1.00 12.85 H new ATOM 0 HB2 ASP C 76 35.627 2.436 -9.321 1.00 11.94 H new ATOM 0 HB3 ASP C 76 35.829 0.952 -10.231 1.00 11.94 H new ATOM 1462 N LEU C 77 32.858 0.354 -10.361 1.00 15.21 N ATOM 1463 CA LEU C 77 32.196 -0.932 -10.550 1.00 17.22 C ATOM 1464 C LEU C 77 31.222 -0.871 -11.726 1.00 19.30 C ATOM 1465 O LEU C 77 31.299 -1.684 -12.648 1.00 21.18 O ATOM 1466 CB LEU C 77 31.470 -1.340 -9.260 1.00 16.96 C ATOM 1467 CG LEU C 77 30.341 -2.367 -9.414 1.00 17.15 C ATOM 1468 CD1 LEU C 77 30.717 -3.437 -10.428 1.00 16.14 C ATOM 1469 CD2 LEU C 77 30.013 -2.997 -8.069 1.00 17.65 C ATOM 0 H LEU C 77 32.673 0.795 -9.460 1.00 15.21 H new ATOM 0 HA LEU C 77 32.950 -1.685 -10.780 1.00 17.22 H new ATOM 0 HB2 LEU C 77 32.207 -1.743 -8.565 1.00 16.96 H new ATOM 0 HB3 LEU C 77 31.056 -0.442 -8.801 1.00 16.96 H new ATOM 0 HG LEU C 77 29.455 -1.850 -9.781 1.00 17.15 H new ATOM 0 HD11 LEU C 77 29.901 -4.154 -10.520 1.00 16.14 H new ATOM 0 HD12 LEU C 77 30.902 -2.972 -11.396 1.00 16.14 H new ATOM 0 HD13 LEU C 77 31.618 -3.953 -10.095 1.00 16.14 H new ATOM 0 HD21 LEU C 77 29.210 -3.724 -8.194 1.00 17.65 H new ATOM 0 HD22 LEU C 77 30.898 -3.498 -7.676 1.00 17.65 H new ATOM 0 HD23 LEU C 77 29.696 -2.222 -7.372 1.00 17.65 H new ATOM 1481 N TYR C 78 30.314 0.096 -11.691 1.00 19.11 N ATOM 1482 CA TYR C 78 29.335 0.259 -12.760 1.00 21.11 C ATOM 1483 C TYR C 78 30.019 0.641 -14.070 1.00 22.24 C ATOM 1484 O TYR C 78 29.471 0.430 -15.152 1.00 22.97 O ATOM 1485 CB TYR C 78 28.301 1.319 -12.378 1.00 22.44 C ATOM 1486 CG TYR C 78 27.479 0.948 -11.166 1.00 22.32 C ATOM 1487 CD1 TYR C 78 27.125 -0.389 -10.918 1.00 22.82 C ATOM 1488 CD2 TYR C 78 27.050 1.930 -10.257 1.00 22.17 C ATOM 1489 CE1 TYR C 78 26.366 -0.739 -9.798 1.00 23.16 C ATOM 1490 CE2 TYR C 78 26.291 1.589 -9.134 1.00 22.53 C ATOM 1491 CZ TYR C 78 25.953 0.255 -8.909 1.00 23.01 C ATOM 1492 OH TYR C 78 25.207 -0.085 -7.805 1.00 23.76 O ATOM 0 H TYR C 78 30.234 0.778 -10.937 1.00 19.11 H new ATOM 0 HA TYR C 78 28.827 -0.695 -12.903 1.00 21.11 H new ATOM 0 HB2 TYR C 78 28.813 2.262 -12.186 1.00 22.44 H new ATOM 0 HB3 TYR C 78 27.633 1.485 -13.223 1.00 22.44 H new ATOM 0 HD1 TYR C 78 27.445 -1.159 -11.604 1.00 22.82 H new ATOM 0 HD2 TYR C 78 27.311 2.964 -10.429 1.00 22.17 H new ATOM 0 HE1 TYR C 78 26.101 -1.771 -9.621 1.00 23.16 H new ATOM 0 HE2 TYR C 78 25.968 2.355 -8.444 1.00 22.53 H new ATOM 0 HH TYR C 78 24.321 -0.391 -8.091 1.00 23.76 H new ATOM 1502 N LYS C 79 31.221 1.201 -13.966 1.00 22.47 N ATOM 1503 CA LYS C 79 31.977 1.604 -15.144 1.00 23.69 C ATOM 1504 C LYS C 79 32.550 0.385 -15.858 1.00 23.45 C ATOM 1505 O LYS C 79 32.684 0.375 -17.082 1.00 23.37 O ATOM 1506 CB LYS C 79 33.108 2.557 -14.751 1.00 22.81 C ATOM 1507 CG LYS C 79 32.703 4.021 -14.768 1.00 24.52 C ATOM 1508 CD LYS C 79 33.661 4.854 -15.603 1.00 25.93 C ATOM 1509 CE LYS C 79 32.940 5.990 -16.311 1.00 27.49 C ATOM 1510 NZ LYS C 79 33.894 6.956 -16.924 1.00 28.76 N ATOM 0 H LYS C 79 31.690 1.385 -13.079 1.00 22.47 H new ATOM 0 HA LYS C 79 31.299 2.120 -15.824 1.00 23.69 H new ATOM 0 HB2 LYS C 79 33.460 2.298 -13.753 1.00 22.81 H new ATOM 0 HB3 LYS C 79 33.947 2.413 -15.432 1.00 22.81 H new ATOM 0 HG2 LYS C 79 31.693 4.116 -15.168 1.00 24.52 H new ATOM 0 HG3 LYS C 79 32.679 4.405 -13.748 1.00 24.52 H new ATOM 0 HD2 LYS C 79 34.444 5.261 -14.963 1.00 25.93 H new ATOM 0 HD3 LYS C 79 34.151 4.217 -16.340 1.00 25.93 H new ATOM 0 HE2 LYS C 79 32.290 5.581 -17.084 1.00 27.49 H new ATOM 0 HE3 LYS C 79 32.300 6.513 -15.600 1.00 27.49 H new ATOM 0 HZ1 LYS C 79 33.363 7.715 -17.397 1.00 28.76 H new ATOM 0 HZ2 LYS C 79 34.498 7.365 -16.183 1.00 28.76 H new ATOM 0 HZ3 LYS C 79 34.488 6.463 -17.621 1.00 28.76 H new ATOM 1524 N LYS C 80 32.885 -0.643 -15.084 1.00 23.49 N ATOM 1525 CA LYS C 80 33.443 -1.868 -15.639 1.00 23.47 C ATOM 1526 C LYS C 80 32.402 -2.618 -16.464 1.00 26.31 C ATOM 1527 O LYS C 80 32.738 -3.322 -17.416 1.00 26.87 O ATOM 1528 CB LYS C 80 33.968 -2.767 -14.518 1.00 21.95 C ATOM 1529 CG LYS C 80 34.854 -3.899 -15.011 1.00 21.48 C ATOM 1530 CD LYS C 80 36.325 -3.517 -14.961 1.00 21.58 C ATOM 1531 CE LYS C 80 36.750 -2.773 -16.216 1.00 22.10 C ATOM 1532 NZ LYS C 80 38.224 -2.826 -16.421 1.00 22.04 N ATOM 0 H LYS C 80 32.779 -0.650 -14.070 1.00 23.49 H new ATOM 0 HA LYS C 80 34.270 -1.596 -16.295 1.00 23.47 H new ATOM 0 HB2 LYS C 80 34.530 -2.159 -13.809 1.00 21.95 H new ATOM 0 HB3 LYS C 80 33.122 -3.189 -13.975 1.00 21.95 H new ATOM 0 HG2 LYS C 80 34.686 -4.786 -14.400 1.00 21.48 H new ATOM 0 HG3 LYS C 80 34.579 -4.159 -16.033 1.00 21.48 H new ATOM 0 HD2 LYS C 80 36.511 -2.893 -14.087 1.00 21.58 H new ATOM 0 HD3 LYS C 80 36.932 -4.415 -14.846 1.00 21.58 H new ATOM 0 HE2 LYS C 80 36.247 -3.205 -17.082 1.00 22.10 H new ATOM 0 HE3 LYS C 80 36.430 -1.733 -16.147 1.00 22.10 H new ATOM 0 HZ1 LYS C 80 38.473 -2.307 -17.287 1.00 22.04 H new ATOM 0 HZ2 LYS C 80 38.704 -2.391 -15.607 1.00 22.04 H new ATOM 0 HZ3 LYS C 80 38.526 -3.817 -16.512 1.00 22.04 H new ATOM 1546 N THR C 81 31.135 -2.461 -16.091 1.00 28.11 N ATOM 1547 CA THR C 81 30.042 -3.124 -16.796 1.00 30.90 C ATOM 1548 C THR C 81 29.882 -2.563 -18.204 1.00 31.97 C ATOM 1549 O THR C 81 30.234 -3.215 -19.188 1.00 31.71 O ATOM 1550 CB THR C 81 28.735 -2.964 -16.018 1.00 32.40 C ATOM 1551 OG1 THR C 81 28.837 -1.909 -15.077 1.00 30.95 O ATOM 1552 CG2 THR C 81 28.330 -4.212 -15.265 1.00 33.19 C ATOM 0 H THR C 81 30.840 -1.881 -15.305 1.00 28.11 H new ATOM 0 HA THR C 81 30.283 -4.184 -16.874 1.00 30.90 H new ATOM 0 HB THR C 81 27.976 -2.751 -16.770 1.00 32.40 H new ATOM 0 HG1 THR C 81 28.871 -1.051 -15.550 1.00 30.95 H new ATOM 0 HG21 THR C 81 27.395 -4.030 -14.735 1.00 33.19 H new ATOM 0 HG22 THR C 81 28.194 -5.033 -15.968 1.00 33.19 H new ATOM 0 HG23 THR C 81 29.108 -4.473 -14.548 1.00 33.19 H new ATOM 1616 N ASP D 54 26.568 7.065 -17.062 1.00 34.86 N ATOM 1617 CA ASP D 54 25.461 6.783 -16.156 1.00 32.99 C ATOM 1618 C ASP D 54 25.951 6.064 -14.903 1.00 31.97 C ATOM 1619 O ASP D 54 25.315 6.129 -13.851 1.00 31.68 O ATOM 1620 CB ASP D 54 24.400 5.936 -16.863 1.00 33.58 C ATOM 1621 CG ASP D 54 24.994 4.722 -17.550 1.00 33.94 C ATOM 1622 OD1 ASP D 54 25.630 3.900 -16.858 1.00 34.54 O ATOM 1623 OD2 ASP D 54 24.821 4.593 -18.781 1.00 33.74 O ATOM 0 HA ASP D 54 25.018 7.733 -15.857 1.00 32.99 H new ATOM 0 HB2 ASP D 54 23.655 5.611 -16.137 1.00 33.58 H new ATOM 0 HB3 ASP D 54 23.881 6.549 -17.599 1.00 33.58 H new ATOM 1628 N ALA D 55 27.084 5.380 -15.022 1.00 31.49 N ATOM 1629 CA ALA D 55 27.656 4.651 -13.897 1.00 30.55 C ATOM 1630 C ALA D 55 27.910 5.580 -12.716 1.00 29.28 C ATOM 1631 O ALA D 55 27.578 5.257 -11.575 1.00 28.12 O ATOM 1632 CB ALA D 55 28.945 3.959 -14.315 1.00 31.22 C ATOM 0 H ALA D 55 27.623 5.315 -15.885 1.00 31.49 H new ATOM 0 HA ALA D 55 26.938 3.894 -13.583 1.00 30.55 H new ATOM 0 HB1 ALA D 55 29.360 3.419 -13.464 1.00 31.22 H new ATOM 0 HB2 ALA D 55 28.736 3.258 -15.123 1.00 31.22 H new ATOM 0 HB3 ALA D 55 29.663 4.704 -14.658 1.00 31.22 H new ATOM 1638 N GLU D 56 28.502 6.737 -12.996 1.00 29.53 N ATOM 1639 CA GLU D 56 28.800 7.715 -11.955 1.00 28.42 C ATOM 1640 C GLU D 56 27.521 8.183 -11.269 1.00 27.64 C ATOM 1641 O GLU D 56 27.467 8.293 -10.044 1.00 28.23 O ATOM 1642 CB GLU D 56 29.542 8.914 -12.550 1.00 28.92 C ATOM 1643 CG GLU D 56 30.498 9.582 -11.576 1.00 30.43 C ATOM 1644 CD GLU D 56 30.894 10.980 -12.012 1.00 31.11 C ATOM 1645 OE1 GLU D 56 31.124 11.181 -13.223 1.00 30.79 O ATOM 1646 OE2 GLU D 56 30.971 11.872 -11.142 1.00 32.02 O ATOM 0 H GLU D 56 28.785 7.020 -13.934 1.00 29.53 H new ATOM 0 HA GLU D 56 29.436 7.236 -11.211 1.00 28.42 H new ATOM 0 HB2 GLU D 56 30.100 8.586 -13.427 1.00 28.92 H new ATOM 0 HB3 GLU D 56 28.813 9.649 -12.892 1.00 28.92 H new ATOM 0 HG2 GLU D 56 30.032 9.631 -10.592 1.00 30.43 H new ATOM 0 HG3 GLU D 56 31.394 8.970 -11.475 1.00 30.43 H new ATOM 1653 N ARG D 57 26.494 8.457 -12.067 1.00 26.47 N ATOM 1654 CA ARG D 57 25.215 8.912 -11.535 1.00 25.89 C ATOM 1655 C ARG D 57 24.588 7.842 -10.647 1.00 23.64 C ATOM 1656 O ARG D 57 23.904 8.153 -9.673 1.00 23.13 O ATOM 1657 CB ARG D 57 24.263 9.268 -12.678 1.00 26.44 C ATOM 1658 CG ARG D 57 24.757 10.413 -13.547 1.00 27.32 C ATOM 1659 CD ARG D 57 23.664 11.441 -13.788 1.00 28.05 C ATOM 1660 NE ARG D 57 23.764 12.045 -15.114 1.00 29.89 N ATOM 1661 CZ ARG D 57 24.736 12.877 -15.472 1.00 30.69 C ATOM 1662 NH1 ARG D 57 25.688 13.202 -14.608 1.00 29.82 N ATOM 1663 NH2 ARG D 57 24.759 13.384 -16.698 1.00 32.45 N ATOM 0 H ARG D 57 26.523 8.372 -13.083 1.00 26.47 H new ATOM 0 HA ARG D 57 25.393 9.802 -10.931 1.00 25.89 H new ATOM 0 HB2 ARG D 57 24.113 8.387 -13.303 1.00 26.44 H new ATOM 0 HB3 ARG D 57 23.291 9.532 -12.261 1.00 26.44 H new ATOM 0 HG2 ARG D 57 25.610 10.893 -13.068 1.00 27.32 H new ATOM 0 HG3 ARG D 57 25.107 10.021 -14.502 1.00 27.32 H new ATOM 0 HD2 ARG D 57 22.689 10.966 -13.679 1.00 28.05 H new ATOM 0 HD3 ARG D 57 23.726 12.221 -13.029 1.00 28.05 H new ATOM 0 HE ARG D 57 23.048 11.815 -15.803 1.00 29.89 H new ATOM 0 HH11 ARG D 57 25.676 12.813 -13.665 1.00 29.82 H new ATOM 0 HH12 ARG D 57 26.433 13.841 -14.886 1.00 29.82 H new ATOM 0 HH21 ARG D 57 24.030 13.135 -17.367 1.00 32.45 H new ATOM 0 HH22 ARG D 57 25.506 14.023 -16.972 1.00 32.45 H new ATOM 1677 N LEU D 58 24.830 6.581 -10.990 1.00 22.40 N ATOM 1678 CA LEU D 58 24.293 5.465 -10.222 1.00 20.48 C ATOM 1679 C LEU D 58 25.008 5.340 -8.882 1.00 18.60 C ATOM 1680 O LEU D 58 24.390 5.448 -7.824 1.00 17.09 O ATOM 1681 CB LEU D 58 24.429 4.162 -11.015 1.00 21.40 C ATOM 1682 CG LEU D 58 23.458 4.011 -12.188 1.00 21.98 C ATOM 1683 CD1 LEU D 58 23.991 3.005 -13.195 1.00 21.73 C ATOM 1684 CD2 LEU D 58 22.083 3.590 -11.691 1.00 21.97 C ATOM 0 H LEU D 58 25.394 6.307 -11.794 1.00 22.40 H new ATOM 0 HA LEU D 58 23.237 5.656 -10.033 1.00 20.48 H new ATOM 0 HB2 LEU D 58 25.448 4.091 -11.396 1.00 21.40 H new ATOM 0 HB3 LEU D 58 24.284 3.324 -10.334 1.00 21.40 H new ATOM 0 HG LEU D 58 23.364 4.977 -12.684 1.00 21.98 H new ATOM 0 HD11 LEU D 58 23.287 2.911 -14.022 1.00 21.73 H new ATOM 0 HD12 LEU D 58 24.954 3.346 -13.575 1.00 21.73 H new ATOM 0 HD13 LEU D 58 24.114 2.036 -12.711 1.00 21.73 H new ATOM 0 HD21 LEU D 58 21.405 3.487 -12.539 1.00 21.97 H new ATOM 0 HD22 LEU D 58 22.161 2.635 -11.171 1.00 21.97 H new ATOM 0 HD23 LEU D 58 21.696 4.345 -11.007 1.00 21.97 H new ATOM 1696 N ALA D 59 26.314 5.115 -8.940 1.00 18.93 N ATOM 1697 CA ALA D 59 27.128 4.979 -7.737 1.00 17.51 C ATOM 1698 C ALA D 59 26.828 6.093 -6.740 1.00 16.90 C ATOM 1699 O ALA D 59 26.943 5.905 -5.528 1.00 17.60 O ATOM 1700 CB ALA D 59 28.605 4.979 -8.101 1.00 18.09 C ATOM 0 H ALA D 59 26.836 5.022 -9.812 1.00 18.93 H new ATOM 0 HA ALA D 59 26.879 4.029 -7.264 1.00 17.51 H new ATOM 0 HB1 ALA D 59 29.203 4.877 -7.195 1.00 18.09 H new ATOM 0 HB2 ALA D 59 28.815 4.145 -8.770 1.00 18.09 H new ATOM 0 HB3 ALA D 59 28.857 5.915 -8.599 1.00 18.09 H new ATOM 1706 N ASP D 60 26.441 7.253 -7.260 1.00 15.87 N ATOM 1707 CA ASP D 60 26.121 8.401 -6.416 1.00 15.64 C ATOM 1708 C ASP D 60 24.835 8.156 -5.633 1.00 13.33 C ATOM 1709 O ASP D 60 24.830 8.191 -4.403 1.00 13.23 O ATOM 1710 CB ASP D 60 25.984 9.665 -7.267 1.00 15.84 C ATOM 1711 CG ASP D 60 26.703 10.852 -6.657 1.00 17.57 C ATOM 1712 OD1 ASP D 60 27.620 10.633 -5.838 1.00 19.41 O ATOM 1713 OD2 ASP D 60 26.349 12.000 -6.998 1.00 17.14 O ATOM 0 H ASP D 60 26.341 7.424 -8.261 1.00 15.87 H new ATOM 0 HA ASP D 60 26.937 8.539 -5.706 1.00 15.64 H new ATOM 0 HB2 ASP D 60 26.383 9.474 -8.263 1.00 15.84 H new ATOM 0 HB3 ASP D 60 24.928 9.906 -7.388 1.00 15.84 H new ATOM 1718 N GLU D 61 23.746 7.906 -6.353 1.00 11.99 N ATOM 1719 CA GLU D 61 22.457 7.652 -5.723 1.00 9.97 C ATOM 1720 C GLU D 61 22.541 6.453 -4.785 1.00 10.00 C ATOM 1721 O GLU D 61 21.823 6.378 -3.788 1.00 9.88 O ATOM 1722 CB GLU D 61 21.385 7.408 -6.787 1.00 8.06 C ATOM 1723 CG GLU D 61 20.862 8.682 -7.428 1.00 9.04 C ATOM 1724 CD GLU D 61 19.481 9.060 -6.929 1.00 7.13 C ATOM 1725 OE1 GLU D 61 18.517 8.333 -7.246 1.00 7.12 O ATOM 1726 OE2 GLU D 61 19.365 10.083 -6.222 1.00 6.41 O ATOM 0 H GLU D 61 23.731 7.874 -7.372 1.00 11.99 H new ATOM 0 HA GLU D 61 22.185 8.531 -5.139 1.00 9.97 H new ATOM 0 HB2 GLU D 61 21.796 6.763 -7.564 1.00 8.06 H new ATOM 0 HB3 GLU D 61 20.552 6.871 -6.334 1.00 8.06 H new ATOM 0 HG2 GLU D 61 21.555 9.498 -7.223 1.00 9.04 H new ATOM 0 HG3 GLU D 61 20.831 8.554 -8.510 1.00 9.04 H new ATOM 1733 N GLN D 62 23.428 5.520 -5.111 1.00 10.59 N ATOM 1734 CA GLN D 62 23.616 4.323 -4.301 1.00 10.63 C ATOM 1735 C GLN D 62 24.320 4.661 -2.991 1.00 11.39 C ATOM 1736 O GLN D 62 23.995 4.112 -1.938 1.00 11.65 O ATOM 1737 CB GLN D 62 24.428 3.286 -5.075 1.00 10.19 C ATOM 1738 CG GLN D 62 24.005 3.143 -6.527 1.00 10.73 C ATOM 1739 CD GLN D 62 23.441 1.773 -6.840 1.00 8.65 C ATOM 1740 OE1 GLN D 62 23.545 0.846 -6.036 1.00 8.27 O ATOM 1741 NE2 GLN D 62 22.839 1.638 -8.015 1.00 7.46 N ATOM 0 H GLN D 62 24.030 5.570 -5.933 1.00 10.59 H new ATOM 0 HA GLN D 62 22.634 3.909 -4.070 1.00 10.63 H new ATOM 0 HB2 GLN D 62 25.482 3.561 -5.038 1.00 10.19 H new ATOM 0 HB3 GLN D 62 24.333 2.319 -4.581 1.00 10.19 H new ATOM 0 HG2 GLN D 62 23.257 3.901 -6.759 1.00 10.73 H new ATOM 0 HG3 GLN D 62 24.863 3.334 -7.171 1.00 10.73 H new ATOM 0 HE21 GLN D 62 22.776 2.434 -8.650 1.00 7.46 H new ATOM 0 HE22 GLN D 62 22.439 0.739 -8.283 1.00 7.46 H new ATOM 1750 N SER D 63 25.287 5.570 -3.065 1.00 11.76 N ATOM 1751 CA SER D 63 26.038 5.986 -1.887 1.00 12.49 C ATOM 1752 C SER D 63 25.161 6.796 -0.941 1.00 11.57 C ATOM 1753 O SER D 63 24.996 6.439 0.225 1.00 9.83 O ATOM 1754 CB SER D 63 27.260 6.809 -2.302 1.00 15.52 C ATOM 1755 OG SER D 63 27.006 7.533 -3.494 1.00 16.90 O ATOM 0 H SER D 63 25.569 6.033 -3.929 1.00 11.76 H new ATOM 0 HA SER D 63 26.372 5.090 -1.364 1.00 12.49 H new ATOM 0 HB2 SER D 63 27.525 7.500 -1.502 1.00 15.52 H new ATOM 0 HB3 SER D 63 28.115 6.148 -2.449 1.00 15.52 H new ATOM 0 HG SER D 63 26.086 7.871 -3.482 1.00 16.90 H new ATOM 1761 N GLU D 64 24.595 7.887 -1.450 1.00 13.16 N ATOM 1762 CA GLU D 64 23.730 8.741 -0.649 1.00 13.37 C ATOM 1763 C GLU D 64 22.655 7.914 0.047 1.00 11.12 C ATOM 1764 O GLU D 64 22.197 8.258 1.136 1.00 11.64 O ATOM 1765 CB GLU D 64 23.084 9.810 -1.527 1.00 15.78 C ATOM 1766 CG GLU D 64 22.639 9.294 -2.886 1.00 15.99 C ATOM 1767 CD GLU D 64 21.144 9.434 -3.101 1.00 16.72 C ATOM 1768 OE1 GLU D 64 20.377 8.737 -2.404 1.00 15.25 O ATOM 1769 OE2 GLU D 64 20.742 10.240 -3.965 1.00 18.83 O ATOM 0 H GLU D 64 24.721 8.198 -2.413 1.00 13.16 H new ATOM 0 HA GLU D 64 24.338 9.229 0.112 1.00 13.37 H new ATOM 0 HB2 GLU D 64 22.222 10.225 -1.005 1.00 15.78 H new ATOM 0 HB3 GLU D 64 23.792 10.626 -1.672 1.00 15.78 H new ATOM 0 HG2 GLU D 64 23.168 9.839 -3.668 1.00 15.99 H new ATOM 0 HG3 GLU D 64 22.920 8.245 -2.982 1.00 15.99 H new ATOM 1776 N LEU D 65 22.261 6.818 -0.592 1.00 9.19 N ATOM 1777 CA LEU D 65 21.248 5.932 -0.039 1.00 7.29 C ATOM 1778 C LEU D 65 21.775 5.225 1.204 1.00 6.35 C ATOM 1779 O LEU D 65 21.125 5.215 2.249 1.00 5.92 O ATOM 1780 CB LEU D 65 20.814 4.902 -1.084 1.00 8.05 C ATOM 1781 CG LEU D 65 19.303 4.710 -1.218 1.00 8.91 C ATOM 1782 CD1 LEU D 65 18.917 4.522 -2.677 1.00 9.48 C ATOM 1783 CD2 LEU D 65 18.842 3.524 -0.385 1.00 7.83 C ATOM 0 H LEU D 65 22.630 6.523 -1.496 1.00 9.19 H new ATOM 0 HA LEU D 65 20.384 6.534 0.243 1.00 7.29 H new ATOM 0 HB2 LEU D 65 21.214 5.200 -2.053 1.00 8.05 H new ATOM 0 HB3 LEU D 65 21.266 3.942 -0.834 1.00 8.05 H new ATOM 0 HG LEU D 65 18.806 5.606 -0.845 1.00 8.91 H new ATOM 0 HD11 LEU D 65 17.838 4.387 -2.753 1.00 9.48 H new ATOM 0 HD12 LEU D 65 19.214 5.402 -3.248 1.00 9.48 H new ATOM 0 HD13 LEU D 65 19.422 3.643 -3.077 1.00 9.48 H new ATOM 0 HD21 LEU D 65 17.764 3.401 -0.492 1.00 7.83 H new ATOM 0 HD22 LEU D 65 19.346 2.620 -0.728 1.00 7.83 H new ATOM 0 HD23 LEU D 65 19.085 3.699 0.663 1.00 7.83 H new ATOM 1795 N VAL D 66 22.962 4.637 1.083 1.00 6.85 N ATOM 1796 CA VAL D 66 23.579 3.934 2.198 1.00 7.13 C ATOM 1797 C VAL D 66 23.749 4.859 3.398 1.00 7.89 C ATOM 1798 O VAL D 66 23.684 4.424 4.548 1.00 8.23 O ATOM 1799 CB VAL D 66 24.955 3.361 1.810 1.00 8.07 C ATOM 1800 CG1 VAL D 66 25.523 2.518 2.941 1.00 8.93 C ATOM 1801 CG2 VAL D 66 24.852 2.548 0.528 1.00 8.28 C ATOM 0 H VAL D 66 23.513 4.635 0.225 1.00 6.85 H new ATOM 0 HA VAL D 66 22.914 3.112 2.462 1.00 7.13 H new ATOM 0 HB VAL D 66 25.637 4.193 1.632 1.00 8.07 H new ATOM 0 HG11 VAL D 66 26.495 2.122 2.647 1.00 8.93 H new ATOM 0 HG12 VAL D 66 25.637 3.135 3.833 1.00 8.93 H new ATOM 0 HG13 VAL D 66 24.845 1.692 3.155 1.00 8.93 H new ATOM 0 HG21 VAL D 66 25.834 2.151 0.269 1.00 8.28 H new ATOM 0 HG22 VAL D 66 24.154 1.724 0.675 1.00 8.28 H new ATOM 0 HG23 VAL D 66 24.494 3.186 -0.280 1.00 8.28 H new ATOM 1811 N LYS D 67 23.967 6.141 3.118 1.00 8.79 N ATOM 1812 CA LYS D 67 24.149 7.136 4.169 1.00 9.85 C ATOM 1813 C LYS D 67 22.914 7.230 5.060 1.00 9.23 C ATOM 1814 O LYS D 67 23.011 7.125 6.280 1.00 9.85 O ATOM 1815 CB LYS D 67 24.453 8.505 3.557 1.00 11.38 C ATOM 1816 CG LYS D 67 24.572 9.617 4.588 1.00 14.37 C ATOM 1817 CD LYS D 67 23.666 10.790 4.252 1.00 15.73 C ATOM 1818 CE LYS D 67 23.013 11.364 5.498 1.00 17.82 C ATOM 1819 NZ LYS D 67 21.652 10.804 5.721 1.00 16.93 N ATOM 0 H LYS D 67 24.022 6.515 2.171 1.00 8.79 H new ATOM 0 HA LYS D 67 24.992 6.822 4.784 1.00 9.85 H new ATOM 0 HB2 LYS D 67 25.383 8.443 2.992 1.00 11.38 H new ATOM 0 HB3 LYS D 67 23.665 8.760 2.848 1.00 11.38 H new ATOM 0 HG2 LYS D 67 24.316 9.229 5.574 1.00 14.37 H new ATOM 0 HG3 LYS D 67 25.606 9.958 4.639 1.00 14.37 H new ATOM 0 HD2 LYS D 67 24.245 11.567 3.753 1.00 15.73 H new ATOM 0 HD3 LYS D 67 22.895 10.467 3.552 1.00 15.73 H new ATOM 0 HE2 LYS D 67 23.639 11.153 6.365 1.00 17.82 H new ATOM 0 HE3 LYS D 67 22.949 12.448 5.407 1.00 17.82 H new ATOM 0 HZ1 LYS D 67 20.963 11.580 5.780 1.00 16.93 H new ATOM 0 HZ2 LYS D 67 21.401 10.177 4.930 1.00 16.93 H new ATOM 0 HZ3 LYS D 67 21.641 10.263 6.609 1.00 16.93 H new ATOM 1833 N LYS D 68 21.756 7.435 4.442 1.00 8.70 N ATOM 1834 CA LYS D 68 20.507 7.548 5.186 1.00 8.54 C ATOM 1835 C LYS D 68 20.237 6.286 6.001 1.00 8.20 C ATOM 1836 O LYS D 68 19.676 6.350 7.096 1.00 8.15 O ATOM 1837 CB LYS D 68 19.340 7.811 4.231 1.00 7.65 C ATOM 1838 CG LYS D 68 18.313 8.788 4.778 1.00 7.90 C ATOM 1839 CD LYS D 68 17.003 8.704 4.011 1.00 8.99 C ATOM 1840 CE LYS D 68 15.961 9.656 4.576 1.00 10.59 C ATOM 1841 NZ LYS D 68 14.587 9.319 4.110 1.00 11.19 N ATOM 0 H LYS D 68 21.656 7.526 3.431 1.00 8.70 H new ATOM 0 HA LYS D 68 20.602 8.388 5.874 1.00 8.54 H new ATOM 0 HB2 LYS D 68 19.732 8.198 3.290 1.00 7.65 H new ATOM 0 HB3 LYS D 68 18.846 6.866 4.006 1.00 7.65 H new ATOM 0 HG2 LYS D 68 18.133 8.577 5.832 1.00 7.90 H new ATOM 0 HG3 LYS D 68 18.706 9.803 4.719 1.00 7.90 H new ATOM 0 HD2 LYS D 68 17.180 8.939 2.961 1.00 8.99 H new ATOM 0 HD3 LYS D 68 16.623 7.683 4.050 1.00 8.99 H new ATOM 0 HE2 LYS D 68 15.993 9.623 5.665 1.00 10.59 H new ATOM 0 HE3 LYS D 68 16.204 10.677 4.280 1.00 10.59 H new ATOM 0 HZ1 LYS D 68 13.907 9.992 4.518 1.00 11.19 H new ATOM 0 HZ2 LYS D 68 14.549 9.375 3.072 1.00 11.19 H new ATOM 0 HZ3 LYS D 68 14.344 8.354 4.414 1.00 11.19 H new ATOM 1855 N MET D 69 20.640 5.141 5.461 1.00 8.21 N ATOM 1856 CA MET D 69 20.439 3.864 6.138 1.00 8.37 C ATOM 1857 C MET D 69 21.395 3.710 7.317 1.00 9.39 C ATOM 1858 O MET D 69 20.992 3.298 8.405 1.00 11.30 O ATOM 1859 CB MET D 69 20.633 2.707 5.156 1.00 7.37 C ATOM 1860 CG MET D 69 20.505 1.336 5.798 1.00 8.55 C ATOM 1861 SD MET D 69 21.107 0.011 4.733 1.00 7.52 S ATOM 1862 CE MET D 69 22.794 0.541 4.447 1.00 4.60 C ATOM 0 H MET D 69 21.107 5.070 4.557 1.00 8.21 H new ATOM 0 HA MET D 69 19.418 3.843 6.519 1.00 8.37 H new ATOM 0 HB2 MET D 69 19.898 2.794 4.355 1.00 7.37 H new ATOM 0 HB3 MET D 69 21.617 2.793 4.696 1.00 7.37 H new ATOM 0 HG2 MET D 69 21.061 1.325 6.735 1.00 8.55 H new ATOM 0 HG3 MET D 69 19.460 1.151 6.046 1.00 8.55 H new ATOM 0 HE1 MET D 69 23.444 -0.332 4.383 1.00 4.60 H new ATOM 0 HE2 MET D 69 22.846 1.101 3.513 1.00 4.60 H new ATOM 0 HE3 MET D 69 23.120 1.177 5.270 1.00 4.60 H new ATOM 1872 N VAL D 70 22.662 4.045 7.094 1.00 8.22 N ATOM 1873 CA VAL D 70 23.672 3.942 8.140 1.00 9.01 C ATOM 1874 C VAL D 70 23.600 5.131 9.096 1.00 11.01 C ATOM 1875 O VAL D 70 24.063 5.053 10.233 1.00 11.66 O ATOM 1876 CB VAL D 70 25.090 3.852 7.539 1.00 8.01 C ATOM 1877 CG1 VAL D 70 26.139 3.782 8.638 1.00 6.52 C ATOM 1878 CG2 VAL D 70 25.195 2.650 6.613 1.00 8.23 C ATOM 0 H VAL D 70 23.013 4.389 6.200 1.00 8.22 H new ATOM 0 HA VAL D 70 23.465 3.028 8.696 1.00 9.01 H new ATOM 0 HB VAL D 70 25.276 4.754 6.956 1.00 8.01 H new ATOM 0 HG11 VAL D 70 27.131 3.719 8.191 1.00 6.52 H new ATOM 0 HG12 VAL D 70 26.077 4.676 9.258 1.00 6.52 H new ATOM 0 HG13 VAL D 70 25.962 2.900 9.254 1.00 6.52 H new ATOM 0 HG21 VAL D 70 26.201 2.599 6.196 1.00 8.23 H new ATOM 0 HG22 VAL D 70 24.988 1.739 7.175 1.00 8.23 H new ATOM 0 HG23 VAL D 70 24.471 2.750 5.804 1.00 8.23 H new ATOM 1888 N PHE D 71 23.012 6.229 8.629 1.00 12.49 N ATOM 1889 CA PHE D 71 22.876 7.427 9.448 1.00 14.55 C ATOM 1890 C PHE D 71 21.892 7.192 10.587 1.00 17.12 C ATOM 1891 O PHE D 71 22.109 7.638 11.713 1.00 18.66 O ATOM 1892 CB PHE D 71 22.413 8.607 8.592 1.00 14.84 C ATOM 1893 CG PHE D 71 22.210 9.873 9.374 1.00 14.68 C ATOM 1894 CD1 PHE D 71 23.291 10.500 10.011 1.00 14.88 C ATOM 1895 CD2 PHE D 71 20.936 10.449 9.482 1.00 14.62 C ATOM 1896 CE1 PHE D 71 23.105 11.676 10.742 1.00 15.03 C ATOM 1897 CE2 PHE D 71 20.744 11.626 10.212 1.00 14.50 C ATOM 1898 CZ PHE D 71 21.829 12.240 10.842 1.00 14.71 C ATOM 0 H PHE D 71 22.623 6.313 7.690 1.00 12.49 H new ATOM 0 HA PHE D 71 23.852 7.660 9.874 1.00 14.55 H new ATOM 0 HB2 PHE D 71 23.149 8.788 7.808 1.00 14.84 H new ATOM 0 HB3 PHE D 71 21.479 8.342 8.097 1.00 14.84 H new ATOM 0 HD1 PHE D 71 24.278 10.069 9.936 1.00 14.88 H new ATOM 0 HD2 PHE D 71 20.094 9.978 8.996 1.00 14.62 H new ATOM 0 HE1 PHE D 71 23.945 12.149 11.229 1.00 15.03 H new ATOM 0 HE2 PHE D 71 19.758 12.060 10.289 1.00 14.50 H new ATOM 0 HZ PHE D 71 21.683 13.149 11.406 1.00 14.71 H new ATOM 1908 N ASP D 72 20.809 6.480 10.286 1.00 17.84 N ATOM 1909 CA ASP D 72 19.793 6.177 11.287 1.00 20.29 C ATOM 1910 C ASP D 72 20.324 5.168 12.299 1.00 19.96 C ATOM 1911 O ASP D 72 20.230 5.378 13.508 1.00 19.61 O ATOM 1912 CB ASP D 72 18.529 5.633 10.618 1.00 21.38 C ATOM 1913 CG ASP D 72 17.313 5.723 11.519 1.00 23.15 C ATOM 1914 OD1 ASP D 72 17.464 5.521 12.742 1.00 23.91 O ATOM 1915 OD2 ASP D 72 16.210 5.998 11.002 1.00 23.85 O ATOM 0 H ASP D 72 20.614 6.103 9.358 1.00 17.84 H new ATOM 0 HA ASP D 72 19.543 7.100 11.811 1.00 20.29 H new ATOM 0 HB2 ASP D 72 18.339 6.189 9.700 1.00 21.38 H new ATOM 0 HB3 ASP D 72 18.691 4.593 10.333 1.00 21.38 H new ATOM 1920 N THR D 73 20.887 4.075 11.794 1.00 20.14 N ATOM 1921 CA THR D 73 21.438 3.035 12.653 1.00 19.88 C ATOM 1922 C THR D 73 22.418 3.631 13.659 1.00 21.24 C ATOM 1923 O THR D 73 22.403 3.280 14.838 1.00 22.21 O ATOM 1924 CB THR D 73 22.139 1.967 11.810 1.00 17.77 C ATOM 1925 OG1 THR D 73 21.223 1.351 10.922 1.00 18.28 O ATOM 1926 CG2 THR D 73 22.782 0.875 12.637 1.00 17.86 C ATOM 0 H THR D 73 20.973 3.887 10.795 1.00 20.14 H new ATOM 0 HA THR D 73 20.616 2.572 13.200 1.00 19.88 H new ATOM 0 HB THR D 73 22.923 2.496 11.268 1.00 17.77 H new ATOM 0 HG1 THR D 73 20.938 0.489 11.292 1.00 18.28 H new ATOM 0 HG21 THR D 73 23.260 0.152 11.976 1.00 17.86 H new ATOM 0 HG22 THR D 73 23.530 1.312 13.299 1.00 17.86 H new ATOM 0 HG23 THR D 73 22.020 0.373 13.233 1.00 17.86 H new ATOM 1934 N LEU D 74 23.267 4.536 13.183 1.00 21.42 N ATOM 1935 CA LEU D 74 24.251 5.184 14.040 1.00 22.90 C ATOM 1936 C LEU D 74 23.566 6.024 15.113 1.00 25.23 C ATOM 1937 O LEU D 74 24.032 6.097 16.250 1.00 26.92 O ATOM 1938 CB LEU D 74 25.187 6.063 13.206 1.00 22.51 C ATOM 1939 CG LEU D 74 26.146 5.301 12.293 1.00 21.56 C ATOM 1940 CD1 LEU D 74 26.776 6.243 11.278 1.00 22.51 C ATOM 1941 CD2 LEU D 74 27.221 4.602 13.113 1.00 20.88 C ATOM 0 H LEU D 74 23.293 4.837 12.209 1.00 21.42 H new ATOM 0 HA LEU D 74 24.837 4.407 14.531 1.00 22.90 H new ATOM 0 HB2 LEU D 74 24.583 6.733 12.595 1.00 22.51 H new ATOM 0 HB3 LEU D 74 25.772 6.688 13.881 1.00 22.51 H new ATOM 0 HG LEU D 74 25.579 4.543 11.753 1.00 21.56 H new ATOM 0 HD11 LEU D 74 27.456 5.684 10.636 1.00 22.51 H new ATOM 0 HD12 LEU D 74 25.994 6.698 10.670 1.00 22.51 H new ATOM 0 HD13 LEU D 74 27.329 7.023 11.800 1.00 22.51 H new ATOM 0 HD21 LEU D 74 27.895 4.064 12.446 1.00 20.88 H new ATOM 0 HD22 LEU D 74 27.785 5.343 13.680 1.00 20.88 H new ATOM 0 HD23 LEU D 74 26.753 3.898 13.801 1.00 20.88 H new ATOM 1953 N LYS D 75 22.456 6.656 14.744 1.00 25.42 N ATOM 1954 CA LYS D 75 21.707 7.488 15.678 1.00 27.61 C ATOM 1955 C LYS D 75 21.404 6.723 16.959 1.00 28.31 C ATOM 1956 O LYS D 75 21.553 7.251 18.061 1.00 29.87 O ATOM 1957 CB LYS D 75 20.405 7.971 15.036 1.00 27.96 C ATOM 1958 CG LYS D 75 19.922 9.306 15.574 1.00 27.62 C ATOM 1959 CD LYS D 75 19.677 10.304 14.454 1.00 27.11 C ATOM 1960 CE LYS D 75 18.267 10.187 13.904 1.00 28.87 C ATOM 1961 NZ LYS D 75 17.835 11.436 13.216 1.00 29.33 N ATOM 0 H LYS D 75 22.056 6.608 13.807 1.00 25.42 H new ATOM 0 HA LYS D 75 22.320 8.354 15.928 1.00 27.61 H new ATOM 0 HB2 LYS D 75 20.549 8.053 13.959 1.00 27.96 H new ATOM 0 HB3 LYS D 75 19.630 7.222 15.197 1.00 27.96 H new ATOM 0 HG2 LYS D 75 19.002 9.160 16.140 1.00 27.62 H new ATOM 0 HG3 LYS D 75 20.661 9.709 16.266 1.00 27.62 H new ATOM 0 HD2 LYS D 75 19.842 11.316 14.824 1.00 27.11 H new ATOM 0 HD3 LYS D 75 20.396 10.137 13.652 1.00 27.11 H new ATOM 0 HE2 LYS D 75 18.218 9.352 13.205 1.00 28.87 H new ATOM 0 HE3 LYS D 75 17.577 9.963 14.718 1.00 28.87 H new ATOM 0 HZ1 LYS D 75 16.867 11.316 12.854 1.00 29.33 H new ATOM 0 HZ2 LYS D 75 17.858 12.229 13.889 1.00 29.33 H new ATOM 0 HZ3 LYS D 75 18.478 11.636 12.424 1.00 29.33 H new ATOM 1975 N ASP D 76 20.985 5.472 16.806 1.00 27.33 N ATOM 1976 CA ASP D 76 20.666 4.629 17.949 1.00 28.14 C ATOM 1977 C ASP D 76 21.942 4.131 18.618 1.00 28.12 C ATOM 1978 O ASP D 76 22.008 4.008 19.840 1.00 29.48 O ATOM 1979 CB ASP D 76 19.806 3.442 17.511 1.00 27.06 C ATOM 1980 CG ASP D 76 18.352 3.824 17.311 1.00 27.26 C ATOM 1981 OD1 ASP D 76 17.919 4.840 17.894 1.00 27.75 O ATOM 1982 OD2 ASP D 76 17.647 3.108 16.570 1.00 27.03 O ATOM 0 H ASP D 76 20.859 5.020 15.900 1.00 27.33 H new ATOM 0 HA ASP D 76 20.104 5.224 18.669 1.00 28.14 H new ATOM 0 HB2 ASP D 76 20.202 3.033 16.582 1.00 27.06 H new ATOM 0 HB3 ASP D 76 19.872 2.653 18.260 1.00 27.06 H new ATOM 1987 N LEU D 77 22.955 3.852 17.804 1.00 26.60 N ATOM 1988 CA LEU D 77 24.235 3.373 18.308 1.00 26.38 C ATOM 1989 C LEU D 77 24.832 4.371 19.297 1.00 27.95 C ATOM 1990 O LEU D 77 25.369 3.987 20.335 1.00 28.43 O ATOM 1991 CB LEU D 77 25.206 3.143 17.148 1.00 25.14 C ATOM 1992 CG LEU D 77 25.085 1.781 16.462 1.00 25.55 C ATOM 1993 CD1 LEU D 77 25.842 1.781 15.143 1.00 23.85 C ATOM 1994 CD2 LEU D 77 25.599 0.677 17.372 1.00 27.08 C ATOM 0 H LEU D 77 22.913 3.950 16.790 1.00 26.60 H new ATOM 0 HA LEU D 77 24.068 2.428 18.826 1.00 26.38 H new ATOM 0 HB2 LEU D 77 25.049 3.923 16.403 1.00 25.14 H new ATOM 0 HB3 LEU D 77 26.225 3.257 17.519 1.00 25.14 H new ATOM 0 HG LEU D 77 24.032 1.592 16.255 1.00 25.55 H new ATOM 0 HD11 LEU D 77 25.746 0.805 14.668 1.00 23.85 H new ATOM 0 HD12 LEU D 77 25.429 2.546 14.486 1.00 23.85 H new ATOM 0 HD13 LEU D 77 26.895 1.992 15.328 1.00 23.85 H new ATOM 0 HD21 LEU D 77 25.505 -0.284 16.867 1.00 27.08 H new ATOM 0 HD22 LEU D 77 26.647 0.860 17.611 1.00 27.08 H new ATOM 0 HD23 LEU D 77 25.015 0.662 18.292 1.00 27.08 H new ATOM 2006 N TYR D 78 24.730 5.653 18.964 1.00 28.80 N ATOM 2007 CA TYR D 78 25.256 6.711 19.819 1.00 30.36 C ATOM 2008 C TYR D 78 24.268 7.051 20.931 1.00 32.87 C ATOM 2009 O TYR D 78 24.665 7.408 22.041 1.00 34.41 O ATOM 2010 CB TYR D 78 25.560 7.962 18.992 1.00 29.39 C ATOM 2011 CG TYR D 78 26.967 7.999 18.440 1.00 28.56 C ATOM 2012 CD1 TYR D 78 28.077 7.791 19.278 1.00 29.67 C ATOM 2013 CD2 TYR D 78 27.199 8.243 17.076 1.00 26.79 C ATOM 2014 CE1 TYR D 78 29.379 7.826 18.771 1.00 29.07 C ATOM 2015 CE2 TYR D 78 28.498 8.280 16.561 1.00 26.10 C ATOM 2016 CZ TYR D 78 29.584 8.070 17.412 1.00 27.26 C ATOM 2017 OH TYR D 78 30.865 8.107 16.910 1.00 26.77 O ATOM 0 H TYR D 78 24.287 5.985 18.107 1.00 28.80 H new ATOM 0 HA TYR D 78 26.180 6.352 20.273 1.00 30.36 H new ATOM 0 HB2 TYR D 78 24.853 8.020 18.164 1.00 29.39 H new ATOM 0 HB3 TYR D 78 25.399 8.844 19.612 1.00 29.39 H new ATOM 0 HD1 TYR D 78 27.921 7.601 20.330 1.00 29.67 H new ATOM 0 HD2 TYR D 78 26.360 8.405 16.415 1.00 26.79 H new ATOM 0 HE1 TYR D 78 30.222 7.665 19.427 1.00 29.07 H new ATOM 0 HE2 TYR D 78 28.660 8.470 15.510 1.00 26.10 H new ATOM 0 HH TYR D 78 30.834 8.287 15.947 1.00 26.77 H new ATOM 2027 N LYS D 79 22.979 6.937 20.626 1.00 33.44 N ATOM 2028 CA LYS D 79 21.934 7.233 21.600 1.00 35.87 C ATOM 2029 C LYS D 79 22.150 6.442 22.886 1.00 37.78 C ATOM 2030 O LYS D 79 21.927 6.951 23.984 1.00 39.25 O ATOM 2031 CB LYS D 79 20.557 6.912 21.014 1.00 36.28 C ATOM 2032 CG LYS D 79 19.410 7.160 21.983 1.00 37.08 C ATOM 2033 CD LYS D 79 18.534 5.927 22.137 1.00 38.57 C ATOM 2034 CE LYS D 79 17.578 5.773 20.966 1.00 38.66 C ATOM 2035 NZ LYS D 79 16.507 4.778 21.251 1.00 40.68 N ATOM 0 H LYS D 79 22.633 6.642 19.713 1.00 33.44 H new ATOM 0 HA LYS D 79 21.982 8.296 21.837 1.00 35.87 H new ATOM 0 HB2 LYS D 79 20.403 7.515 20.119 1.00 36.28 H new ATOM 0 HB3 LYS D 79 20.539 5.868 20.702 1.00 36.28 H new ATOM 0 HG2 LYS D 79 19.810 7.447 22.956 1.00 37.08 H new ATOM 0 HG3 LYS D 79 18.806 7.995 21.627 1.00 37.08 H new ATOM 0 HD2 LYS D 79 19.163 5.040 22.214 1.00 38.57 H new ATOM 0 HD3 LYS D 79 17.966 5.996 23.065 1.00 38.57 H new ATOM 0 HE2 LYS D 79 17.126 6.738 20.737 1.00 38.66 H new ATOM 0 HE3 LYS D 79 18.134 5.464 20.081 1.00 38.66 H new ATOM 0 HZ1 LYS D 79 15.876 4.702 20.428 1.00 40.68 H new ATOM 0 HZ2 LYS D 79 16.937 3.851 21.444 1.00 40.68 H new ATOM 0 HZ3 LYS D 79 15.959 5.085 22.080 1.00 40.68 H new