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 73 THR OG1 : rot 91:sc= 0.361 USER MOD Set 1.2: C 69 MET CE :methyl 153:sc= -1.57 (180deg=-1.84) USER MOD Set 2.1: B 73 THR OG1 : rot 80:sc= 0.395 USER MOD Set 2.2: C 78 TYR OH : rot -113:sc= -2.16 USER MOD Set 2.3: D 62 GLN : amide:sc= -2.26! C(o=-4!,f=-8.2!) USER MOD Set 3.1: A 78 TYR OH : rot -110:sc= -2.42 USER MOD Set 3.2: B 62 GLN : amide:sc= -2.17 K(o=-4.2,f=-8.6!) USER MOD Set 3.3: D 73 THR OG1 : rot 80:sc= 0.389 USER MOD Set 4.1: A 69 MET CE :methyl 153:sc= -1.35 (180deg=-1.71) USER MOD Set 4.2: C 73 THR OG1 : rot 91:sc= 0.425 USER MOD Single : A 62 GLN : amide:sc= -0.987 K(o=-0.99,f=-9.7!) USER MOD Single : A 63 SER OG : rot 74:sc= 0.311 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -123:sc= 0.183 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -132:sc= 0.126 (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 -62:sc= -0.918! USER MOD Single : B 63 SER OG : rot 74:sc= 0.576 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl 159:sc= -3.51! (180deg=-5.13!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -1.04 K(o=-1,f=-10!) USER MOD Single : C 63 SER OG : rot 73:sc= 0.314 USER MOD Single : C 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 68 LYS NZ :NH3+ -125:sc= 0.169 (180deg=0) USER MOD Single : C 75 LYS NZ :NH3+ -132:sc= 0.116 (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 -49:sc= -1.15! USER MOD Single : D 63 SER OG : rot 80:sc= 0.611 USER MOD Single : D 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 MET CE :methyl 157:sc= -3.36! (180deg=-4.76!) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot 165:sc= 0 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 24.249 -12.532 -17.010 1.00 30.25 N ATOM 54 CA ALA A 55 24.247 -11.192 -16.438 1.00 28.04 C ATOM 55 C ALA A 55 23.648 -11.206 -15.038 1.00 26.08 C ATOM 56 O ALA A 55 24.106 -10.491 -14.147 1.00 24.55 O ATOM 57 CB ALA A 55 23.479 -10.234 -17.337 1.00 27.42 C ATOM 0 HA ALA A 55 25.279 -10.848 -16.364 1.00 28.04 H new ATOM 0 HB1 ALA A 55 23.486 -9.237 -16.897 1.00 27.42 H new ATOM 0 HB2 ALA A 55 23.950 -10.200 -18.319 1.00 27.42 H new ATOM 0 HB3 ALA A 55 22.450 -10.578 -17.440 1.00 27.42 H new ATOM 63 N GLU A 56 22.623 -12.032 -14.851 1.00 26.29 N ATOM 64 CA GLU A 56 21.962 -12.149 -13.558 1.00 24.68 C ATOM 65 C GLU A 56 22.930 -12.688 -12.513 1.00 24.68 C ATOM 66 O GLU A 56 23.163 -12.060 -11.480 1.00 24.45 O ATOM 67 CB GLU A 56 20.743 -13.067 -13.665 1.00 25.57 C ATOM 68 CG GLU A 56 19.668 -12.775 -12.631 1.00 25.49 C ATOM 69 CD GLU A 56 18.629 -13.877 -12.546 1.00 25.88 C ATOM 70 OE1 GLU A 56 17.805 -13.990 -13.476 1.00 26.39 O ATOM 71 OE2 GLU A 56 18.642 -14.626 -11.546 1.00 25.86 O ATOM 0 H GLU A 56 22.233 -12.630 -15.580 1.00 26.29 H new ATOM 0 HA GLU A 56 21.630 -11.157 -13.250 1.00 24.68 H new ATOM 0 HB2 GLU A 56 20.312 -12.970 -14.662 1.00 25.57 H new ATOM 0 HB3 GLU A 56 21.068 -14.102 -13.557 1.00 25.57 H new ATOM 0 HG2 GLU A 56 20.134 -12.643 -11.654 1.00 25.49 H new ATOM 0 HG3 GLU A 56 19.176 -11.834 -12.879 1.00 25.49 H new ATOM 78 N ARG A 57 23.498 -13.853 -12.796 1.00 25.11 N ATOM 79 CA ARG A 57 24.453 -14.477 -11.889 1.00 25.17 C ATOM 80 C ARG A 57 25.709 -13.625 -11.777 1.00 25.78 C ATOM 81 O ARG A 57 26.188 -13.341 -10.679 1.00 26.12 O ATOM 82 CB ARG A 57 24.813 -15.881 -12.379 1.00 24.91 C ATOM 83 CG ARG A 57 23.807 -16.946 -11.969 1.00 24.00 C ATOM 84 CD ARG A 57 22.958 -17.394 -13.147 1.00 22.82 C ATOM 85 NE ARG A 57 23.720 -18.196 -14.100 1.00 23.95 N ATOM 86 CZ ARG A 57 24.091 -19.452 -13.873 1.00 24.28 C ATOM 87 NH1 ARG A 57 23.770 -20.045 -12.731 1.00 23.65 N ATOM 88 NH2 ARG A 57 24.784 -20.116 -14.788 1.00 25.41 N ATOM 0 H ARG A 57 23.314 -14.385 -13.647 1.00 25.11 H new ATOM 0 HA ARG A 57 23.993 -14.557 -10.904 1.00 25.17 H new ATOM 0 HB2 ARG A 57 24.893 -15.868 -13.466 1.00 24.91 H new ATOM 0 HB3 ARG A 57 25.795 -16.152 -11.990 1.00 24.91 H new ATOM 0 HG2 ARG A 57 24.334 -17.804 -11.552 1.00 24.00 H new ATOM 0 HG3 ARG A 57 23.162 -16.555 -11.182 1.00 24.00 H new ATOM 0 HD2 ARG A 57 22.110 -17.974 -12.782 1.00 22.82 H new ATOM 0 HD3 ARG A 57 22.551 -16.519 -13.654 1.00 22.82 H new ATOM 0 HE ARG A 57 23.982 -17.769 -14.989 1.00 23.95 H new ATOM 0 HH11 ARG A 57 23.237 -19.537 -12.025 1.00 23.65 H new ATOM 0 HH12 ARG A 57 24.056 -21.009 -12.559 1.00 23.65 H new ATOM 0 HH21 ARG A 57 25.033 -19.663 -15.667 1.00 25.41 H new ATOM 0 HH22 ARG A 57 25.068 -21.080 -14.613 1.00 25.41 H new ATOM 102 N LEU A 58 26.231 -13.213 -12.926 1.00 26.00 N ATOM 103 CA LEU A 58 27.426 -12.381 -12.972 1.00 26.66 C ATOM 104 C LEU A 58 27.250 -11.141 -12.102 1.00 25.04 C ATOM 105 O LEU A 58 28.112 -10.814 -11.285 1.00 24.19 O ATOM 106 CB LEU A 58 27.727 -11.970 -14.416 1.00 26.92 C ATOM 107 CG LEU A 58 28.839 -10.933 -14.586 1.00 26.12 C ATOM 108 CD1 LEU A 58 28.316 -9.534 -14.294 1.00 23.95 C ATOM 109 CD2 LEU A 58 30.020 -11.263 -13.685 1.00 26.34 C ATOM 0 H LEU A 58 25.843 -13.443 -13.841 1.00 26.00 H new ATOM 0 HA LEU A 58 28.265 -12.960 -12.585 1.00 26.66 H new ATOM 0 HB2 LEU A 58 27.996 -12.862 -14.981 1.00 26.92 H new ATOM 0 HB3 LEU A 58 26.814 -11.575 -14.861 1.00 26.92 H new ATOM 0 HG LEU A 58 29.179 -10.961 -15.621 1.00 26.12 H new ATOM 0 HD11 LEU A 58 29.122 -8.811 -14.420 1.00 23.95 H new ATOM 0 HD12 LEU A 58 27.505 -9.298 -14.983 1.00 23.95 H new ATOM 0 HD13 LEU A 58 27.946 -9.490 -13.270 1.00 23.95 H new ATOM 0 HD21 LEU A 58 30.801 -10.514 -13.820 1.00 26.34 H new ATOM 0 HD22 LEU A 58 29.695 -11.265 -12.645 1.00 26.34 H new ATOM 0 HD23 LEU A 58 30.412 -12.247 -13.944 1.00 26.34 H new ATOM 121 N ALA A 59 26.125 -10.457 -12.282 1.00 24.78 N ATOM 122 CA ALA A 59 25.828 -9.256 -11.512 1.00 23.30 C ATOM 123 C ALA A 59 25.888 -9.538 -10.016 1.00 23.11 C ATOM 124 O ALA A 59 26.289 -8.683 -9.227 1.00 22.83 O ATOM 125 CB ALA A 59 24.459 -8.713 -11.895 1.00 21.08 C ATOM 0 H ALA A 59 25.404 -10.715 -12.955 1.00 24.78 H new ATOM 0 HA ALA A 59 26.583 -8.505 -11.744 1.00 23.30 H new ATOM 0 HB1 ALA A 59 24.248 -7.816 -11.313 1.00 21.08 H new ATOM 0 HB2 ALA A 59 24.449 -8.468 -12.957 1.00 21.08 H new ATOM 0 HB3 ALA A 59 23.698 -9.466 -11.689 1.00 21.08 H new ATOM 131 N ASP A 60 25.491 -10.747 -9.631 1.00 23.65 N ATOM 132 CA ASP A 60 25.502 -11.146 -8.229 1.00 23.97 C ATOM 133 C ASP A 60 26.915 -11.081 -7.661 1.00 23.82 C ATOM 134 O ASP A 60 27.131 -10.570 -6.562 1.00 23.88 O ATOM 135 CB ASP A 60 24.941 -12.560 -8.075 1.00 25.99 C ATOM 136 CG ASP A 60 24.324 -12.792 -6.710 1.00 25.89 C ATOM 137 OD1 ASP A 60 25.029 -12.597 -5.698 1.00 26.02 O ATOM 138 OD2 ASP A 60 23.135 -13.170 -6.652 1.00 25.70 O ATOM 0 H ASP A 60 25.158 -11.467 -10.271 1.00 23.65 H new ATOM 0 HA ASP A 60 24.872 -10.452 -7.672 1.00 23.97 H new ATOM 0 HB2 ASP A 60 24.190 -12.736 -8.845 1.00 25.99 H new ATOM 0 HB3 ASP A 60 25.739 -13.284 -8.238 1.00 25.99 H new ATOM 143 N GLU A 61 27.875 -11.603 -8.418 1.00 23.75 N ATOM 144 CA GLU A 61 29.270 -11.604 -7.992 1.00 23.66 C ATOM 145 C GLU A 61 29.723 -10.199 -7.618 1.00 21.72 C ATOM 146 O GLU A 61 30.236 -9.969 -6.523 1.00 21.57 O ATOM 147 CB GLU A 61 30.162 -12.164 -9.101 1.00 24.55 C ATOM 148 CG GLU A 61 31.117 -13.247 -8.627 1.00 25.47 C ATOM 149 CD GLU A 61 32.308 -12.686 -7.876 1.00 25.81 C ATOM 150 OE1 GLU A 61 32.122 -11.730 -7.094 1.00 24.57 O ATOM 151 OE2 GLU A 61 33.429 -13.204 -8.069 1.00 27.36 O ATOM 0 H GLU A 61 27.712 -12.031 -9.330 1.00 23.75 H new ATOM 0 HA GLU A 61 29.356 -12.240 -7.111 1.00 23.66 H new ATOM 0 HB2 GLU A 61 29.532 -12.569 -9.893 1.00 24.55 H new ATOM 0 HB3 GLU A 61 30.739 -11.349 -9.538 1.00 24.55 H new ATOM 0 HG2 GLU A 61 30.580 -13.943 -7.982 1.00 25.47 H new ATOM 0 HG3 GLU A 61 31.470 -13.817 -9.487 1.00 25.47 H new ATOM 158 N GLN A 62 29.526 -9.262 -8.536 1.00 20.59 N ATOM 159 CA GLN A 62 29.911 -7.873 -8.308 1.00 18.98 C ATOM 160 C GLN A 62 29.295 -7.344 -7.018 1.00 17.40 C ATOM 161 O GLN A 62 29.970 -6.700 -6.214 1.00 17.47 O ATOM 162 CB GLN A 62 29.477 -7.004 -9.487 1.00 17.41 C ATOM 163 CG GLN A 62 30.528 -6.893 -10.579 1.00 18.48 C ATOM 164 CD GLN A 62 30.667 -8.169 -11.386 1.00 18.74 C ATOM 165 OE1 GLN A 62 29.840 -9.075 -11.285 1.00 17.81 O ATOM 166 NE2 GLN A 62 31.719 -8.245 -12.192 1.00 20.22 N ATOM 0 H GLN A 62 29.102 -9.437 -9.447 1.00 20.59 H new ATOM 0 HA GLN A 62 30.996 -7.832 -8.215 1.00 18.98 H new ATOM 0 HB2 GLN A 62 28.563 -7.416 -9.914 1.00 17.41 H new ATOM 0 HB3 GLN A 62 29.237 -6.005 -9.123 1.00 17.41 H new ATOM 0 HG2 GLN A 62 30.268 -6.072 -11.247 1.00 18.48 H new ATOM 0 HG3 GLN A 62 31.489 -6.645 -10.129 1.00 18.48 H new ATOM 0 HE21 GLN A 62 32.379 -7.469 -12.244 1.00 20.22 H new ATOM 0 HE22 GLN A 62 31.867 -9.079 -12.760 1.00 20.22 H new ATOM 175 N SER A 63 28.009 -7.621 -6.825 1.00 16.32 N ATOM 176 CA SER A 63 27.302 -7.173 -5.632 1.00 14.80 C ATOM 177 C SER A 63 27.961 -7.726 -4.373 1.00 13.55 C ATOM 178 O SER A 63 28.051 -7.040 -3.355 1.00 12.41 O ATOM 179 CB SER A 63 25.837 -7.609 -5.688 1.00 14.44 C ATOM 180 OG SER A 63 25.194 -7.096 -6.843 1.00 13.37 O ATOM 0 H SER A 63 27.436 -8.153 -7.480 1.00 16.32 H new ATOM 0 HA SER A 63 27.348 -6.084 -5.598 1.00 14.80 H new ATOM 0 HB2 SER A 63 25.778 -8.697 -5.689 1.00 14.44 H new ATOM 0 HB3 SER A 63 25.317 -7.263 -4.795 1.00 14.44 H new ATOM 0 HG SER A 63 25.503 -7.585 -7.634 1.00 13.37 H new ATOM 186 N GLU A 64 28.421 -8.970 -4.451 1.00 13.90 N ATOM 187 CA GLU A 64 29.072 -9.615 -3.318 1.00 13.06 C ATOM 188 C GLU A 64 30.315 -8.841 -2.893 1.00 12.87 C ATOM 189 O GLU A 64 30.632 -8.758 -1.707 1.00 12.74 O ATOM 190 CB GLU A 64 29.450 -11.055 -3.672 1.00 13.91 C ATOM 191 CG GLU A 64 29.071 -12.066 -2.602 1.00 15.30 C ATOM 192 CD GLU A 64 29.808 -13.382 -2.757 1.00 17.48 C ATOM 193 OE1 GLU A 64 31.056 -13.360 -2.818 1.00 18.09 O ATOM 194 OE2 GLU A 64 29.138 -14.435 -2.817 1.00 18.73 O ATOM 0 H GLU A 64 28.355 -9.551 -5.287 1.00 13.90 H new ATOM 0 HA GLU A 64 28.369 -9.626 -2.485 1.00 13.06 H new ATOM 0 HB2 GLU A 64 28.963 -11.330 -4.608 1.00 13.91 H new ATOM 0 HB3 GLU A 64 30.525 -11.107 -3.845 1.00 13.91 H new ATOM 0 HG2 GLU A 64 29.286 -11.647 -1.619 1.00 15.30 H new ATOM 0 HG3 GLU A 64 27.997 -12.248 -2.643 1.00 15.30 H new ATOM 201 N LEU A 65 31.014 -8.273 -3.870 1.00 13.25 N ATOM 202 CA LEU A 65 32.220 -7.502 -3.596 1.00 13.08 C ATOM 203 C LEU A 65 31.882 -6.216 -2.848 1.00 12.25 C ATOM 204 O LEU A 65 32.604 -5.805 -1.939 1.00 13.58 O ATOM 205 CB LEU A 65 32.946 -7.171 -4.903 1.00 12.56 C ATOM 206 CG LEU A 65 33.768 -8.318 -5.496 1.00 13.77 C ATOM 207 CD1 LEU A 65 33.806 -8.219 -7.014 1.00 14.87 C ATOM 208 CD2 LEU A 65 35.179 -8.312 -4.926 1.00 15.81 C ATOM 0 H LEU A 65 30.766 -8.332 -4.858 1.00 13.25 H new ATOM 0 HA LEU A 65 32.875 -8.106 -2.968 1.00 13.08 H new ATOM 0 HB2 LEU A 65 32.208 -6.854 -5.640 1.00 12.56 H new ATOM 0 HB3 LEU A 65 33.608 -6.322 -4.729 1.00 12.56 H new ATOM 0 HG LEU A 65 33.290 -9.260 -5.225 1.00 13.77 H new ATOM 0 HD11 LEU A 65 34.395 -9.043 -7.418 1.00 14.87 H new ATOM 0 HD12 LEU A 65 32.791 -8.272 -7.408 1.00 14.87 H new ATOM 0 HD13 LEU A 65 34.260 -7.272 -7.306 1.00 14.87 H new ATOM 0 HD21 LEU A 65 35.750 -9.134 -5.358 1.00 15.81 H new ATOM 0 HD22 LEU A 65 35.665 -7.367 -5.167 1.00 15.81 H new ATOM 0 HD23 LEU A 65 35.135 -8.431 -3.843 1.00 15.81 H new ATOM 220 N VAL A 66 30.778 -5.587 -3.237 1.00 10.18 N ATOM 221 CA VAL A 66 30.341 -4.350 -2.607 1.00 9.44 C ATOM 222 C VAL A 66 29.774 -4.607 -1.215 1.00 9.42 C ATOM 223 O VAL A 66 30.087 -3.889 -0.265 1.00 10.30 O ATOM 224 CB VAL A 66 29.275 -3.631 -3.455 1.00 9.51 C ATOM 225 CG1 VAL A 66 28.951 -2.269 -2.864 1.00 9.32 C ATOM 226 CG2 VAL A 66 29.742 -3.497 -4.897 1.00 9.74 C ATOM 0 H VAL A 66 30.170 -5.916 -3.987 1.00 10.18 H new ATOM 0 HA VAL A 66 31.222 -3.713 -2.526 1.00 9.44 H new ATOM 0 HB VAL A 66 28.365 -4.231 -3.446 1.00 9.51 H new ATOM 0 HG11 VAL A 66 28.196 -1.777 -3.477 1.00 9.32 H new ATOM 0 HG12 VAL A 66 28.570 -2.393 -1.850 1.00 9.32 H new ATOM 0 HG13 VAL A 66 29.854 -1.659 -2.840 1.00 9.32 H new ATOM 0 HG21 VAL A 66 28.976 -2.987 -5.481 1.00 9.74 H new ATOM 0 HG22 VAL A 66 30.667 -2.920 -4.928 1.00 9.74 H new ATOM 0 HG23 VAL A 66 29.918 -4.488 -5.316 1.00 9.74 H new ATOM 236 N LYS A 67 28.942 -5.636 -1.098 1.00 8.90 N ATOM 237 CA LYS A 67 28.337 -5.984 0.180 1.00 9.67 C ATOM 238 C LYS A 67 29.409 -6.328 1.207 1.00 10.39 C ATOM 239 O LYS A 67 29.413 -5.795 2.317 1.00 11.02 O ATOM 240 CB LYS A 67 27.374 -7.161 0.009 1.00 11.95 C ATOM 241 CG LYS A 67 26.727 -7.615 1.307 1.00 13.07 C ATOM 242 CD LYS A 67 26.104 -8.993 1.163 1.00 15.39 C ATOM 243 CE LYS A 67 25.506 -9.474 2.474 1.00 17.57 C ATOM 244 NZ LYS A 67 25.206 -10.933 2.446 1.00 19.29 N ATOM 0 H LYS A 67 28.672 -6.242 -1.872 1.00 8.90 H new ATOM 0 HA LYS A 67 27.778 -5.121 0.540 1.00 9.67 H new ATOM 0 HB2 LYS A 67 26.593 -6.880 -0.697 1.00 11.95 H new ATOM 0 HB3 LYS A 67 27.914 -8.000 -0.430 1.00 11.95 H new ATOM 0 HG2 LYS A 67 27.474 -7.633 2.101 1.00 13.07 H new ATOM 0 HG3 LYS A 67 25.962 -6.898 1.605 1.00 13.07 H new ATOM 0 HD2 LYS A 67 25.329 -8.965 0.397 1.00 15.39 H new ATOM 0 HD3 LYS A 67 26.860 -9.702 0.825 1.00 15.39 H new ATOM 0 HE2 LYS A 67 26.199 -9.261 3.288 1.00 17.57 H new ATOM 0 HE3 LYS A 67 24.591 -8.919 2.681 1.00 17.57 H new ATOM 0 HZ1 LYS A 67 24.800 -11.221 3.359 1.00 19.29 H new ATOM 0 HZ2 LYS A 67 24.526 -11.133 1.685 1.00 19.29 H new ATOM 0 HZ3 LYS A 67 26.083 -11.465 2.274 1.00 19.29 H new ATOM 258 N LYS A 68 30.324 -7.214 0.827 1.00 10.42 N ATOM 259 CA LYS A 68 31.405 -7.616 1.716 1.00 11.23 C ATOM 260 C LYS A 68 32.189 -6.395 2.184 1.00 9.33 C ATOM 261 O LYS A 68 32.697 -6.360 3.305 1.00 9.62 O ATOM 262 CB LYS A 68 32.342 -8.599 1.010 1.00 13.65 C ATOM 263 CG LYS A 68 31.969 -10.056 1.228 1.00 14.71 C ATOM 264 CD LYS A 68 33.066 -10.990 0.742 1.00 16.47 C ATOM 265 CE LYS A 68 33.120 -11.040 -0.776 1.00 18.31 C ATOM 266 NZ LYS A 68 33.643 -12.344 -1.270 1.00 20.74 N ATOM 0 H LYS A 68 30.338 -7.665 -0.088 1.00 10.42 H new ATOM 0 HA LYS A 68 30.969 -8.110 2.584 1.00 11.23 H new ATOM 0 HB2 LYS A 68 32.339 -8.388 -0.059 1.00 13.65 H new ATOM 0 HB3 LYS A 68 33.360 -8.436 1.364 1.00 13.65 H new ATOM 0 HG2 LYS A 68 31.784 -10.231 2.288 1.00 14.71 H new ATOM 0 HG3 LYS A 68 31.041 -10.278 0.701 1.00 14.71 H new ATOM 0 HD2 LYS A 68 34.028 -10.657 1.131 1.00 16.47 H new ATOM 0 HD3 LYS A 68 32.893 -11.992 1.135 1.00 16.47 H new ATOM 0 HE2 LYS A 68 32.122 -10.872 -1.181 1.00 18.31 H new ATOM 0 HE3 LYS A 68 33.753 -10.232 -1.144 1.00 18.31 H new ATOM 0 HZ1 LYS A 68 34.475 -12.179 -1.871 1.00 20.74 H new ATOM 0 HZ2 LYS A 68 33.913 -12.939 -0.461 1.00 20.74 H new ATOM 0 HZ3 LYS A 68 32.906 -12.826 -1.823 1.00 20.74 H new ATOM 280 N MET A 69 32.278 -5.394 1.316 1.00 7.72 N ATOM 281 CA MET A 69 32.992 -4.165 1.634 1.00 6.24 C ATOM 282 C MET A 69 32.273 -3.393 2.736 1.00 3.84 C ATOM 283 O MET A 69 32.905 -2.861 3.650 1.00 4.09 O ATOM 284 CB MET A 69 33.127 -3.293 0.382 1.00 6.17 C ATOM 285 CG MET A 69 33.672 -1.901 0.658 1.00 5.45 C ATOM 286 SD MET A 69 33.906 -0.937 -0.848 1.00 6.70 S ATOM 287 CE MET A 69 32.207 -0.644 -1.333 1.00 7.28 C ATOM 0 H MET A 69 31.863 -5.410 0.384 1.00 7.72 H new ATOM 0 HA MET A 69 33.987 -4.429 1.991 1.00 6.24 H new ATOM 0 HB2 MET A 69 33.783 -3.795 -0.330 1.00 6.17 H new ATOM 0 HB3 MET A 69 32.150 -3.203 -0.093 1.00 6.17 H new ATOM 0 HG2 MET A 69 32.988 -1.372 1.321 1.00 5.45 H new ATOM 0 HG3 MET A 69 34.624 -1.985 1.183 1.00 5.45 H new ATOM 0 HE1 MET A 69 32.148 0.278 -1.911 1.00 7.28 H new ATOM 0 HE2 MET A 69 31.853 -1.477 -1.941 1.00 7.28 H new ATOM 0 HE3 MET A 69 31.585 -0.555 -0.443 1.00 7.28 H new ATOM 297 N VAL A 70 30.948 -3.338 2.643 1.00 2.54 N ATOM 298 CA VAL A 70 30.141 -2.633 3.629 1.00 1.67 C ATOM 299 C VAL A 70 30.113 -3.387 4.955 1.00 3.70 C ATOM 300 O VAL A 70 30.258 -2.788 6.021 1.00 4.31 O ATOM 301 CB VAL A 70 28.699 -2.417 3.120 1.00 3.26 C ATOM 302 CG1 VAL A 70 27.803 -1.846 4.213 1.00 3.88 C ATOM 303 CG2 VAL A 70 28.705 -1.501 1.909 1.00 3.70 C ATOM 0 H VAL A 70 30.411 -3.774 1.893 1.00 2.54 H new ATOM 0 HA VAL A 70 30.603 -1.659 3.789 1.00 1.67 H new ATOM 0 HB VAL A 70 28.294 -3.387 2.832 1.00 3.26 H new ATOM 0 HG11 VAL A 70 26.795 -1.706 3.821 1.00 3.88 H new ATOM 0 HG12 VAL A 70 27.772 -2.536 5.056 1.00 3.88 H new ATOM 0 HG13 VAL A 70 28.200 -0.886 4.544 1.00 3.88 H new ATOM 0 HG21 VAL A 70 27.683 -1.355 1.558 1.00 3.70 H new ATOM 0 HG22 VAL A 70 29.135 -0.538 2.183 1.00 3.70 H new ATOM 0 HG23 VAL A 70 29.301 -1.951 1.115 1.00 3.70 H new ATOM 313 N PHE A 71 29.928 -4.702 4.886 1.00 5.54 N ATOM 314 CA PHE A 71 29.885 -5.523 6.089 1.00 7.92 C ATOM 315 C PHE A 71 31.095 -5.243 6.975 1.00 8.08 C ATOM 316 O PHE A 71 30.950 -4.785 8.106 1.00 9.59 O ATOM 317 CB PHE A 71 29.829 -7.011 5.728 1.00 9.68 C ATOM 318 CG PHE A 71 29.981 -7.917 6.918 1.00 10.53 C ATOM 319 CD1 PHE A 71 29.189 -7.731 8.059 1.00 11.98 C ATOM 320 CD2 PHE A 71 30.922 -8.954 6.909 1.00 10.23 C ATOM 321 CE1 PHE A 71 29.333 -8.565 9.172 1.00 12.99 C ATOM 322 CE2 PHE A 71 31.070 -9.793 8.017 1.00 11.46 C ATOM 323 CZ PHE A 71 30.275 -9.597 9.150 1.00 12.76 C ATOM 0 H PHE A 71 29.806 -5.218 4.015 1.00 5.54 H new ATOM 0 HA PHE A 71 28.981 -5.265 6.641 1.00 7.92 H new ATOM 0 HB2 PHE A 71 28.879 -7.223 5.237 1.00 9.68 H new ATOM 0 HB3 PHE A 71 30.617 -7.233 5.008 1.00 9.68 H new ATOM 0 HD1 PHE A 71 28.460 -6.935 8.079 1.00 11.98 H new ATOM 0 HD2 PHE A 71 31.540 -9.107 6.037 1.00 10.23 H new ATOM 0 HE1 PHE A 71 28.718 -8.412 10.046 1.00 12.99 H new ATOM 0 HE2 PHE A 71 31.797 -10.591 7.998 1.00 11.46 H new ATOM 0 HZ PHE A 71 30.389 -10.243 10.008 1.00 12.76 H new ATOM 333 N ASP A 72 32.286 -5.515 6.454 1.00 6.88 N ATOM 334 CA ASP A 72 33.513 -5.283 7.207 1.00 7.16 C ATOM 335 C ASP A 72 33.552 -3.854 7.736 1.00 7.28 C ATOM 336 O ASP A 72 33.920 -3.619 8.887 1.00 7.67 O ATOM 337 CB ASP A 72 34.736 -5.551 6.328 1.00 5.62 C ATOM 338 CG ASP A 72 35.113 -7.019 6.293 1.00 6.98 C ATOM 339 OD1 ASP A 72 34.728 -7.753 7.228 1.00 7.82 O ATOM 340 OD2 ASP A 72 35.791 -7.435 5.331 1.00 7.83 O ATOM 0 H ASP A 72 32.428 -5.895 5.518 1.00 6.88 H new ATOM 0 HA ASP A 72 33.532 -5.969 8.054 1.00 7.16 H new ATOM 0 HB2 ASP A 72 34.533 -5.207 5.314 1.00 5.62 H new ATOM 0 HB3 ASP A 72 35.581 -4.971 6.699 1.00 5.62 H new ATOM 345 N THR A 73 33.163 -2.902 6.892 1.00 7.89 N ATOM 346 CA THR A 73 33.146 -1.500 7.283 1.00 9.15 C ATOM 347 C THR A 73 32.152 -1.282 8.418 1.00 12.07 C ATOM 348 O THR A 73 32.539 -1.043 9.561 1.00 13.78 O ATOM 349 CB THR A 73 32.784 -0.613 6.084 1.00 8.21 C ATOM 350 OG1 THR A 73 33.840 -0.590 5.141 1.00 8.29 O ATOM 351 CG2 THR A 73 32.473 0.825 6.459 1.00 8.42 C ATOM 0 H THR A 73 32.856 -3.078 5.935 1.00 7.89 H new ATOM 0 HA THR A 73 34.142 -1.225 7.630 1.00 9.15 H new ATOM 0 HB THR A 73 31.883 -1.060 5.664 1.00 8.21 H new ATOM 0 HG1 THR A 73 33.712 -1.310 4.489 1.00 8.29 H new ATOM 0 HG21 THR A 73 32.226 1.390 5.560 1.00 8.42 H new ATOM 0 HG22 THR A 73 31.626 0.847 7.145 1.00 8.42 H new ATOM 0 HG23 THR A 73 33.343 1.272 6.941 1.00 8.42 H new ATOM 359 N LEU A 74 30.867 -1.368 8.091 1.00 12.88 N ATOM 360 CA LEU A 74 29.813 -1.183 9.082 1.00 15.73 C ATOM 361 C LEU A 74 30.064 -2.048 10.312 1.00 16.94 C ATOM 362 O LEU A 74 29.812 -1.630 11.442 1.00 19.09 O ATOM 363 CB LEU A 74 28.453 -1.518 8.473 1.00 16.79 C ATOM 364 CG LEU A 74 27.966 -0.544 7.401 1.00 16.43 C ATOM 365 CD1 LEU A 74 26.478 -0.723 7.168 1.00 18.72 C ATOM 366 CD2 LEU A 74 28.275 0.895 7.794 1.00 16.33 C ATOM 0 H LEU A 74 30.530 -1.564 7.148 1.00 12.88 H new ATOM 0 HA LEU A 74 29.817 -0.138 9.392 1.00 15.73 H new ATOM 0 HB2 LEU A 74 28.502 -2.517 8.039 1.00 16.79 H new ATOM 0 HB3 LEU A 74 27.713 -1.554 9.273 1.00 16.79 H new ATOM 0 HG LEU A 74 28.495 -0.762 6.473 1.00 16.43 H new ATOM 0 HD11 LEU A 74 26.143 -0.024 6.402 1.00 18.72 H new ATOM 0 HD12 LEU A 74 26.281 -1.743 6.839 1.00 18.72 H new ATOM 0 HD13 LEU A 74 25.939 -0.531 8.096 1.00 18.72 H new ATOM 0 HD21 LEU A 74 27.919 1.569 7.015 1.00 16.33 H new ATOM 0 HD22 LEU A 74 27.776 1.131 8.734 1.00 16.33 H new ATOM 0 HD23 LEU A 74 29.352 1.016 7.914 1.00 16.33 H new ATOM 378 N LYS A 75 30.569 -3.253 10.081 1.00 15.82 N ATOM 379 CA LYS A 75 30.866 -4.181 11.165 1.00 17.29 C ATOM 380 C LYS A 75 31.740 -3.509 12.214 1.00 16.67 C ATOM 381 O LYS A 75 31.308 -3.265 13.341 1.00 18.10 O ATOM 382 CB LYS A 75 31.575 -5.422 10.618 1.00 17.08 C ATOM 383 CG LYS A 75 32.036 -6.389 11.695 1.00 16.89 C ATOM 384 CD LYS A 75 32.693 -7.622 11.093 1.00 17.42 C ATOM 385 CE LYS A 75 34.120 -7.334 10.653 1.00 18.09 C ATOM 386 NZ LYS A 75 34.847 -8.578 10.280 1.00 19.43 N ATOM 0 H LYS A 75 30.782 -3.611 9.150 1.00 15.82 H new ATOM 0 HA LYS A 75 29.927 -4.482 11.629 1.00 17.29 H new ATOM 0 HB2 LYS A 75 30.901 -5.944 9.938 1.00 17.08 H new ATOM 0 HB3 LYS A 75 32.438 -5.107 10.032 1.00 17.08 H new ATOM 0 HG2 LYS A 75 32.740 -5.887 12.359 1.00 16.89 H new ATOM 0 HG3 LYS A 75 31.184 -6.690 12.304 1.00 16.89 H new ATOM 0 HD2 LYS A 75 32.693 -8.430 11.825 1.00 17.42 H new ATOM 0 HD3 LYS A 75 32.110 -7.966 10.239 1.00 17.42 H new ATOM 0 HE2 LYS A 75 34.107 -6.652 9.803 1.00 18.09 H new ATOM 0 HE3 LYS A 75 34.653 -6.829 11.458 1.00 18.09 H new ATOM 0 HZ1 LYS A 75 35.778 -8.588 10.743 1.00 19.43 H new ATOM 0 HZ2 LYS A 75 34.298 -9.406 10.588 1.00 19.43 H new ATOM 0 HZ3 LYS A 75 34.973 -8.610 9.248 1.00 19.43 H new ATOM 400 N ASP A 76 32.973 -3.212 11.827 1.00 14.56 N ATOM 401 CA ASP A 76 33.924 -2.564 12.722 1.00 13.77 C ATOM 402 C ASP A 76 33.471 -1.148 13.071 1.00 14.58 C ATOM 403 O ASP A 76 33.785 -0.632 14.143 1.00 15.14 O ATOM 404 CB ASP A 76 35.311 -2.524 12.080 1.00 11.02 C ATOM 405 CG ASP A 76 36.216 -3.630 12.586 1.00 10.98 C ATOM 406 OD1 ASP A 76 35.741 -4.778 12.707 1.00 10.79 O ATOM 407 OD2 ASP A 76 37.401 -3.346 12.864 1.00 11.50 O ATOM 0 H ASP A 76 33.340 -3.410 10.896 1.00 14.56 H new ATOM 0 HA ASP A 76 33.972 -3.146 13.643 1.00 13.77 H new ATOM 0 HB2 ASP A 76 35.210 -2.608 10.998 1.00 11.02 H new ATOM 0 HB3 ASP A 76 35.774 -1.558 12.283 1.00 11.02 H new ATOM 412 N LEU A 77 32.736 -0.521 12.156 1.00 14.96 N ATOM 413 CA LEU A 77 32.245 0.835 12.366 1.00 16.46 C ATOM 414 C LEU A 77 31.218 0.874 13.497 1.00 18.66 C ATOM 415 O LEU A 77 31.458 1.474 14.544 1.00 19.68 O ATOM 416 CB LEU A 77 31.640 1.380 11.067 1.00 17.22 C ATOM 417 CG LEU A 77 30.701 2.580 11.219 1.00 18.91 C ATOM 418 CD1 LEU A 77 31.293 3.610 12.167 1.00 18.36 C ATOM 419 CD2 LEU A 77 30.415 3.205 9.862 1.00 19.44 C ATOM 0 H LEU A 77 32.468 -0.932 11.262 1.00 14.96 H new ATOM 0 HA LEU A 77 33.085 1.467 12.655 1.00 16.46 H new ATOM 0 HB2 LEU A 77 32.455 1.663 10.400 1.00 17.22 H new ATOM 0 HB3 LEU A 77 31.092 0.574 10.578 1.00 17.22 H new ATOM 0 HG LEU A 77 29.761 2.228 11.643 1.00 18.91 H new ATOM 0 HD11 LEU A 77 30.609 4.454 12.260 1.00 18.36 H new ATOM 0 HD12 LEU A 77 31.446 3.157 13.147 1.00 18.36 H new ATOM 0 HD13 LEU A 77 32.248 3.959 11.775 1.00 18.36 H new ATOM 0 HD21 LEU A 77 29.746 4.057 9.987 1.00 19.44 H new ATOM 0 HD22 LEU A 77 31.349 3.541 9.412 1.00 19.44 H new ATOM 0 HD23 LEU A 77 29.944 2.466 9.213 1.00 19.44 H new ATOM 431 N TYR A 78 30.074 0.230 13.281 1.00 19.59 N ATOM 432 CA TYR A 78 29.017 0.196 14.286 1.00 21.86 C ATOM 433 C TYR A 78 29.568 -0.236 15.641 1.00 23.69 C ATOM 434 O TYR A 78 29.080 0.194 16.686 1.00 25.64 O ATOM 435 CB TYR A 78 27.897 -0.754 13.855 1.00 22.14 C ATOM 436 CG TYR A 78 27.108 -0.274 12.655 1.00 22.25 C ATOM 437 CD1 TYR A 78 26.943 1.099 12.395 1.00 23.05 C ATOM 438 CD2 TYR A 78 26.517 -1.193 11.771 1.00 21.79 C ATOM 439 CE1 TYR A 78 26.213 1.540 11.289 1.00 23.33 C ATOM 440 CE2 TYR A 78 25.785 -0.759 10.662 1.00 22.31 C ATOM 441 CZ TYR A 78 25.637 0.608 10.426 1.00 23.04 C ATOM 442 OH TYR A 78 24.917 1.039 9.336 1.00 23.69 O ATOM 0 H TYR A 78 29.856 -0.274 12.421 1.00 19.59 H new ATOM 0 HA TYR A 78 28.612 1.204 14.380 1.00 21.86 H new ATOM 0 HB2 TYR A 78 28.329 -1.728 13.626 1.00 22.14 H new ATOM 0 HB3 TYR A 78 27.214 -0.897 14.692 1.00 22.14 H new ATOM 0 HD1 TYR A 78 27.388 1.823 13.061 1.00 23.05 H new ATOM 0 HD2 TYR A 78 26.630 -2.252 11.951 1.00 21.79 H new ATOM 0 HE1 TYR A 78 26.095 2.597 11.103 1.00 23.33 H new ATOM 0 HE2 TYR A 78 25.337 -1.478 9.992 1.00 22.31 H new ATOM 0 HH TYR A 78 23.967 0.844 9.474 1.00 23.69 H new ATOM 452 N LYS A 79 30.589 -1.085 15.617 1.00 23.11 N ATOM 453 CA LYS A 79 31.206 -1.571 16.845 1.00 24.76 C ATOM 454 C LYS A 79 31.903 -0.437 17.590 1.00 25.77 C ATOM 455 O LYS A 79 32.090 -0.502 18.805 1.00 27.12 O ATOM 456 CB LYS A 79 32.209 -2.682 16.531 1.00 24.27 C ATOM 457 CG LYS A 79 31.941 -3.976 17.282 1.00 24.72 C ATOM 458 CD LYS A 79 32.513 -5.177 16.547 1.00 25.10 C ATOM 459 CE LYS A 79 32.820 -6.320 17.501 1.00 26.23 C ATOM 460 NZ LYS A 79 34.073 -7.033 17.128 1.00 26.55 N ATOM 0 H LYS A 79 31.007 -1.451 14.761 1.00 23.11 H new ATOM 0 HA LYS A 79 30.419 -1.971 17.484 1.00 24.76 H new ATOM 0 HB2 LYS A 79 32.191 -2.883 15.460 1.00 24.27 H new ATOM 0 HB3 LYS A 79 33.213 -2.333 16.773 1.00 24.27 H new ATOM 0 HG2 LYS A 79 32.378 -3.916 18.279 1.00 24.72 H new ATOM 0 HG3 LYS A 79 30.867 -4.106 17.412 1.00 24.72 H new ATOM 0 HD2 LYS A 79 31.804 -5.514 15.791 1.00 25.10 H new ATOM 0 HD3 LYS A 79 33.423 -4.885 16.023 1.00 25.10 H new ATOM 0 HE2 LYS A 79 32.911 -5.932 18.515 1.00 26.23 H new ATOM 0 HE3 LYS A 79 31.988 -7.024 17.503 1.00 26.23 H new ATOM 0 HZ1 LYS A 79 34.247 -7.805 17.803 1.00 26.55 H new ATOM 0 HZ2 LYS A 79 33.977 -7.426 16.170 1.00 26.55 H new ATOM 0 HZ3 LYS A 79 34.871 -6.367 17.151 1.00 26.55 H new ATOM 474 N LYS A 80 32.285 0.602 16.854 1.00 25.24 N ATOM 475 CA LYS A 80 32.961 1.750 17.444 1.00 26.07 C ATOM 476 C LYS A 80 32.044 2.487 18.414 1.00 28.36 C ATOM 477 O LYS A 80 32.441 2.819 19.530 1.00 29.79 O ATOM 478 CB LYS A 80 33.437 2.706 16.348 1.00 24.28 C ATOM 479 CG LYS A 80 34.645 3.535 16.749 1.00 22.11 C ATOM 480 CD LYS A 80 34.236 4.912 17.247 1.00 22.41 C ATOM 481 CE LYS A 80 34.680 6.005 16.288 1.00 20.61 C ATOM 482 NZ LYS A 80 34.813 7.321 16.971 1.00 21.77 N ATOM 0 H LYS A 80 32.137 0.672 15.847 1.00 25.24 H new ATOM 0 HA LYS A 80 33.824 1.383 17.999 1.00 26.07 H new ATOM 0 HB2 LYS A 80 33.682 2.130 15.456 1.00 24.28 H new ATOM 0 HB3 LYS A 80 32.619 3.376 16.081 1.00 24.28 H new ATOM 0 HG2 LYS A 80 35.201 3.015 17.529 1.00 22.11 H new ATOM 0 HG3 LYS A 80 35.315 3.640 15.896 1.00 22.11 H new ATOM 0 HD2 LYS A 80 33.153 4.950 17.368 1.00 22.41 H new ATOM 0 HD3 LYS A 80 34.673 5.089 18.230 1.00 22.41 H new ATOM 0 HE2 LYS A 80 35.635 5.730 15.841 1.00 20.61 H new ATOM 0 HE3 LYS A 80 33.959 6.089 15.474 1.00 20.61 H new ATOM 0 HZ1 LYS A 80 35.117 8.040 16.284 1.00 21.77 H new ATOM 0 HZ2 LYS A 80 33.896 7.596 17.376 1.00 21.77 H new ATOM 0 HZ3 LYS A 80 35.519 7.248 17.731 1.00 21.77 H new ATOM 496 N THR A 81 30.817 2.739 17.977 1.00 28.84 N ATOM 497 CA THR A 81 29.840 3.437 18.806 1.00 31.14 C ATOM 498 C THR A 81 29.663 2.734 20.145 1.00 33.41 C ATOM 499 O THR A 81 29.927 3.308 21.202 1.00 34.30 O ATOM 500 CB THR A 81 28.495 3.530 18.083 1.00 31.89 C ATOM 501 OG1 THR A 81 28.040 2.243 17.704 1.00 31.33 O ATOM 502 CG2 THR A 81 28.542 4.387 16.836 1.00 30.73 C ATOM 0 H THR A 81 30.474 2.471 17.055 1.00 28.84 H new ATOM 0 HA THR A 81 30.213 4.444 18.991 1.00 31.14 H new ATOM 0 HB THR A 81 27.815 3.995 18.797 1.00 31.89 H new ATOM 0 HG1 THR A 81 28.675 1.844 17.074 1.00 31.33 H new ATOM 0 HG21 THR A 81 27.556 4.410 16.373 1.00 30.73 H new ATOM 0 HG22 THR A 81 28.841 5.401 17.102 1.00 30.73 H new ATOM 0 HG23 THR A 81 29.263 3.968 16.134 1.00 30.73 H new ATOM 566 N ASP B 54 25.413 -6.172 18.744 1.00 34.58 N ATOM 567 CA ASP B 54 24.358 -5.816 17.804 1.00 31.83 C ATOM 568 C ASP B 54 24.947 -5.170 16.554 1.00 31.25 C ATOM 569 O ASP B 54 24.352 -5.220 15.478 1.00 30.47 O ATOM 570 CB ASP B 54 23.358 -4.863 18.463 1.00 31.18 C ATOM 571 CG ASP B 54 22.323 -5.596 19.294 1.00 29.54 C ATOM 572 OD1 ASP B 54 22.556 -6.777 19.625 1.00 29.72 O ATOM 573 OD2 ASP B 54 21.280 -4.988 19.614 1.00 28.10 O ATOM 0 HA ASP B 54 23.838 -6.729 17.512 1.00 31.83 H new ATOM 0 HB2 ASP B 54 23.896 -4.158 19.097 1.00 31.18 H new ATOM 0 HB3 ASP B 54 22.854 -4.279 17.692 1.00 31.18 H new ATOM 578 N ALA B 55 26.123 -4.568 16.706 1.00 31.68 N ATOM 579 CA ALA B 55 26.798 -3.915 15.594 1.00 31.24 C ATOM 580 C ALA B 55 26.966 -4.872 14.418 1.00 29.33 C ATOM 581 O ALA B 55 26.807 -4.484 13.261 1.00 27.95 O ATOM 582 CB ALA B 55 28.150 -3.382 16.042 1.00 33.31 C ATOM 0 H ALA B 55 26.627 -4.520 17.591 1.00 31.68 H new ATOM 0 HA ALA B 55 26.181 -3.079 15.263 1.00 31.24 H new ATOM 0 HB1 ALA B 55 28.646 -2.896 15.202 1.00 33.31 H new ATOM 0 HB2 ALA B 55 28.008 -2.661 16.847 1.00 33.31 H new ATOM 0 HB3 ALA B 55 28.766 -4.207 16.399 1.00 33.31 H new ATOM 588 N GLU B 56 27.289 -6.125 14.722 1.00 29.39 N ATOM 589 CA GLU B 56 27.478 -7.139 13.692 1.00 27.84 C ATOM 590 C GLU B 56 26.178 -7.391 12.936 1.00 25.56 C ATOM 591 O GLU B 56 26.094 -7.154 11.730 1.00 25.38 O ATOM 592 CB GLU B 56 27.983 -8.443 14.316 1.00 28.79 C ATOM 593 CG GLU B 56 28.080 -9.595 13.330 1.00 29.47 C ATOM 594 CD GLU B 56 29.144 -10.603 13.716 1.00 29.93 C ATOM 595 OE1 GLU B 56 29.985 -10.277 14.580 1.00 30.12 O ATOM 596 OE2 GLU B 56 29.137 -11.718 13.154 1.00 30.16 O ATOM 0 H GLU B 56 27.425 -6.462 15.675 1.00 29.39 H new ATOM 0 HA GLU B 56 28.223 -6.772 12.986 1.00 27.84 H new ATOM 0 HB2 GLU B 56 28.965 -8.269 14.755 1.00 28.79 H new ATOM 0 HB3 GLU B 56 27.316 -8.728 15.130 1.00 28.79 H new ATOM 0 HG2 GLU B 56 27.115 -10.097 13.267 1.00 29.47 H new ATOM 0 HG3 GLU B 56 28.300 -9.202 12.338 1.00 29.47 H new ATOM 603 N ARG B 57 25.164 -7.870 13.651 1.00 23.97 N ATOM 604 CA ARG B 57 23.868 -8.150 13.043 1.00 21.72 C ATOM 605 C ARG B 57 23.375 -6.947 12.250 1.00 19.31 C ATOM 606 O ARG B 57 22.810 -7.092 11.165 1.00 18.07 O ATOM 607 CB ARG B 57 22.844 -8.520 14.119 1.00 21.44 C ATOM 608 CG ARG B 57 22.562 -7.394 15.100 1.00 22.40 C ATOM 609 CD ARG B 57 21.425 -7.748 16.044 1.00 22.59 C ATOM 610 NE ARG B 57 20.372 -6.737 16.033 1.00 23.24 N ATOM 611 CZ ARG B 57 19.476 -6.594 17.005 1.00 24.22 C ATOM 612 NH1 ARG B 57 19.510 -7.394 18.063 1.00 24.71 N ATOM 613 NH2 ARG B 57 18.549 -5.651 16.920 1.00 24.95 N ATOM 0 H ARG B 57 25.215 -8.072 14.650 1.00 23.97 H new ATOM 0 HA ARG B 57 23.987 -8.992 12.361 1.00 21.72 H new ATOM 0 HB2 ARG B 57 21.912 -8.813 13.637 1.00 21.44 H new ATOM 0 HB3 ARG B 57 23.205 -9.389 14.669 1.00 21.44 H new ATOM 0 HG2 ARG B 57 23.461 -7.179 15.677 1.00 22.40 H new ATOM 0 HG3 ARG B 57 22.311 -6.486 14.551 1.00 22.40 H new ATOM 0 HD2 ARG B 57 21.005 -8.713 15.760 1.00 22.59 H new ATOM 0 HD3 ARG B 57 21.814 -7.856 17.056 1.00 22.59 H new ATOM 0 HE ARG B 57 20.321 -6.104 15.234 1.00 23.24 H new ATOM 0 HH11 ARG B 57 20.224 -8.119 18.131 1.00 24.71 H new ATOM 0 HH12 ARG B 57 18.822 -7.284 18.808 1.00 24.71 H new ATOM 0 HH21 ARG B 57 18.522 -5.034 16.108 1.00 24.95 H new ATOM 0 HH22 ARG B 57 17.862 -5.542 17.666 1.00 24.95 H new ATOM 627 N LEU B 58 23.597 -5.758 12.797 1.00 18.82 N ATOM 628 CA LEU B 58 23.181 -4.523 12.142 1.00 16.58 C ATOM 629 C LEU B 58 23.851 -4.384 10.782 1.00 16.00 C ATOM 630 O LEU B 58 23.182 -4.311 9.751 1.00 15.27 O ATOM 631 CB LEU B 58 23.523 -3.317 13.017 1.00 16.16 C ATOM 632 CG LEU B 58 22.347 -2.728 13.796 1.00 16.18 C ATOM 633 CD1 LEU B 58 22.845 -1.784 14.879 1.00 16.91 C ATOM 634 CD2 LEU B 58 21.394 -2.007 12.857 1.00 14.67 C ATOM 0 H LEU B 58 24.063 -5.622 13.694 1.00 18.82 H new ATOM 0 HA LEU B 58 22.101 -4.561 11.996 1.00 16.58 H new ATOM 0 HB2 LEU B 58 24.298 -3.610 13.725 1.00 16.16 H new ATOM 0 HB3 LEU B 58 23.947 -2.537 12.384 1.00 16.16 H new ATOM 0 HG LEU B 58 21.806 -3.545 14.274 1.00 16.18 H new ATOM 0 HD11 LEU B 58 21.994 -1.374 15.424 1.00 16.91 H new ATOM 0 HD12 LEU B 58 23.489 -2.329 15.569 1.00 16.91 H new ATOM 0 HD13 LEU B 58 23.409 -0.971 14.422 1.00 16.91 H new ATOM 0 HD21 LEU B 58 20.563 -1.594 13.429 1.00 14.67 H new ATOM 0 HD22 LEU B 58 21.923 -1.199 12.351 1.00 14.67 H new ATOM 0 HD23 LEU B 58 21.011 -2.710 12.117 1.00 14.67 H new ATOM 646 N ALA B 59 25.179 -4.354 10.790 1.00 16.44 N ATOM 647 CA ALA B 59 25.957 -4.229 9.563 1.00 16.18 C ATOM 648 C ALA B 59 25.457 -5.198 8.499 1.00 17.08 C ATOM 649 O ALA B 59 25.457 -4.884 7.308 1.00 17.61 O ATOM 650 CB ALA B 59 27.430 -4.474 9.853 1.00 16.72 C ATOM 0 H ALA B 59 25.742 -4.415 11.638 1.00 16.44 H new ATOM 0 HA ALA B 59 25.835 -3.216 9.180 1.00 16.18 H new ATOM 0 HB1 ALA B 59 28.003 -4.379 8.931 1.00 16.72 H new ATOM 0 HB2 ALA B 59 27.785 -3.742 10.578 1.00 16.72 H new ATOM 0 HB3 ALA B 59 27.559 -5.478 10.258 1.00 16.72 H new ATOM 656 N ASP B 60 25.026 -6.375 8.938 1.00 17.57 N ATOM 657 CA ASP B 60 24.518 -7.390 8.026 1.00 18.87 C ATOM 658 C ASP B 60 23.298 -6.874 7.271 1.00 17.48 C ATOM 659 O ASP B 60 23.239 -6.944 6.043 1.00 18.15 O ATOM 660 CB ASP B 60 24.159 -8.663 8.793 1.00 20.41 C ATOM 661 CG ASP B 60 23.612 -9.749 7.887 1.00 20.75 C ATOM 662 OD1 ASP B 60 23.518 -9.510 6.664 1.00 20.03 O ATOM 663 OD2 ASP B 60 23.278 -10.837 8.399 1.00 21.97 O ATOM 0 H ASP B 60 25.019 -6.649 9.920 1.00 17.57 H new ATOM 0 HA ASP B 60 25.301 -7.622 7.304 1.00 18.87 H new ATOM 0 HB2 ASP B 60 25.044 -9.035 9.308 1.00 20.41 H new ATOM 0 HB3 ASP B 60 23.420 -8.426 9.559 1.00 20.41 H new ATOM 668 N GLU B 61 22.329 -6.349 8.013 1.00 15.77 N ATOM 669 CA GLU B 61 21.113 -5.813 7.413 1.00 14.66 C ATOM 670 C GLU B 61 21.452 -4.731 6.395 1.00 13.31 C ATOM 671 O GLU B 61 20.791 -4.603 5.364 1.00 13.24 O ATOM 672 CB GLU B 61 20.190 -5.247 8.494 1.00 13.65 C ATOM 673 CG GLU B 61 19.459 -6.316 9.290 1.00 13.34 C ATOM 674 CD GLU B 61 17.960 -6.086 9.332 1.00 12.74 C ATOM 675 OE1 GLU B 61 17.324 -6.120 8.258 1.00 13.39 O ATOM 676 OE2 GLU B 61 17.424 -5.873 10.439 1.00 11.97 O ATOM 0 H GLU B 61 22.362 -6.283 9.030 1.00 15.77 H new ATOM 0 HA GLU B 61 20.597 -6.625 6.900 1.00 14.66 H new ATOM 0 HB2 GLU B 61 20.778 -4.635 9.178 1.00 13.65 H new ATOM 0 HB3 GLU B 61 19.457 -4.589 8.027 1.00 13.65 H new ATOM 0 HG2 GLU B 61 19.661 -7.293 8.851 1.00 13.34 H new ATOM 0 HG3 GLU B 61 19.849 -6.337 10.308 1.00 13.34 H new ATOM 683 N GLN B 62 22.492 -3.959 6.691 1.00 12.51 N ATOM 684 CA GLN B 62 22.931 -2.889 5.802 1.00 11.74 C ATOM 685 C GLN B 62 23.546 -3.465 4.531 1.00 10.82 C ATOM 686 O GLN B 62 23.148 -3.114 3.421 1.00 10.32 O ATOM 687 CB GLN B 62 23.945 -1.993 6.510 1.00 12.30 C ATOM 688 CG GLN B 62 23.673 -1.811 7.994 1.00 14.60 C ATOM 689 CD GLN B 62 22.208 -1.557 8.297 1.00 14.33 C ATOM 690 OE1 GLN B 62 21.402 -1.351 7.390 1.00 13.96 O ATOM 691 NE2 GLN B 62 21.858 -1.570 9.577 1.00 14.89 N ATOM 0 H GLN B 62 23.048 -4.054 7.541 1.00 12.51 H new ATOM 0 HA GLN B 62 22.060 -2.293 5.530 1.00 11.74 H new ATOM 0 HB2 GLN B 62 24.941 -2.416 6.382 1.00 12.30 H new ATOM 0 HB3 GLN B 62 23.950 -1.015 6.029 1.00 12.30 H new ATOM 0 HG2 GLN B 62 24.001 -2.701 8.531 1.00 14.60 H new ATOM 0 HG3 GLN B 62 24.266 -0.977 8.368 1.00 14.60 H new ATOM 0 HE21 GLN B 62 22.560 -1.745 10.296 1.00 14.89 H new ATOM 0 HE22 GLN B 62 20.887 -1.405 9.842 1.00 14.89 H new ATOM 700 N SER B 63 24.521 -4.355 4.703 1.00 10.94 N ATOM 701 CA SER B 63 25.190 -4.982 3.570 1.00 10.63 C ATOM 702 C SER B 63 24.171 -5.587 2.612 1.00 8.44 C ATOM 703 O SER B 63 24.126 -5.233 1.434 1.00 7.13 O ATOM 704 CB SER B 63 26.158 -6.063 4.054 1.00 12.94 C ATOM 705 OG SER B 63 26.636 -5.775 5.357 1.00 13.83 O ATOM 0 H SER B 63 24.864 -4.657 5.615 1.00 10.94 H new ATOM 0 HA SER B 63 25.754 -4.214 3.040 1.00 10.63 H new ATOM 0 HB2 SER B 63 25.657 -7.031 4.053 1.00 12.94 H new ATOM 0 HB3 SER B 63 26.998 -6.138 3.364 1.00 12.94 H new ATOM 0 HG SER B 63 25.924 -5.939 6.010 1.00 13.83 H new ATOM 711 N GLU B 64 23.349 -6.495 3.128 1.00 8.48 N ATOM 712 CA GLU B 64 22.326 -7.143 2.322 1.00 6.70 C ATOM 713 C GLU B 64 21.484 -6.104 1.588 1.00 4.92 C ATOM 714 O GLU B 64 21.038 -6.333 0.464 1.00 5.08 O ATOM 715 CB GLU B 64 21.435 -8.012 3.209 1.00 7.86 C ATOM 716 CG GLU B 64 20.556 -7.213 4.158 1.00 9.27 C ATOM 717 CD GLU B 64 19.576 -8.084 4.920 1.00 10.38 C ATOM 718 OE1 GLU B 64 19.939 -8.569 6.011 1.00 11.77 O ATOM 719 OE2 GLU B 64 18.446 -8.278 4.424 1.00 10.01 O ATOM 0 H GLU B 64 23.373 -6.798 4.102 1.00 8.48 H new ATOM 0 HA GLU B 64 22.815 -7.776 1.581 1.00 6.70 H new ATOM 0 HB2 GLU B 64 20.801 -8.633 2.576 1.00 7.86 H new ATOM 0 HB3 GLU B 64 22.063 -8.687 3.790 1.00 7.86 H new ATOM 0 HG2 GLU B 64 21.187 -6.677 4.867 1.00 9.27 H new ATOM 0 HG3 GLU B 64 20.005 -6.463 3.591 1.00 9.27 H new ATOM 726 N LEU B 65 21.279 -4.961 2.232 1.00 3.55 N ATOM 727 CA LEU B 65 20.499 -3.881 1.644 1.00 2.63 C ATOM 728 C LEU B 65 21.227 -3.287 0.442 1.00 3.00 C ATOM 729 O LEU B 65 20.620 -3.015 -0.593 1.00 3.65 O ATOM 730 CB LEU B 65 20.227 -2.792 2.685 1.00 3.33 C ATOM 731 CG LEU B 65 18.771 -2.675 3.136 1.00 4.50 C ATOM 732 CD1 LEU B 65 18.696 -2.304 4.609 1.00 5.46 C ATOM 733 CD2 LEU B 65 18.032 -1.650 2.288 1.00 4.36 C ATOM 0 H LEU B 65 21.643 -4.759 3.163 1.00 3.55 H new ATOM 0 HA LEU B 65 19.547 -4.290 1.307 1.00 2.63 H new ATOM 0 HB2 LEU B 65 20.848 -2.984 3.560 1.00 3.33 H new ATOM 0 HB3 LEU B 65 20.542 -1.832 2.275 1.00 3.33 H new ATOM 0 HG LEU B 65 18.290 -3.644 3.002 1.00 4.50 H new ATOM 0 HD11 LEU B 65 17.652 -2.225 4.912 1.00 5.46 H new ATOM 0 HD12 LEU B 65 19.189 -3.073 5.203 1.00 5.46 H new ATOM 0 HD13 LEU B 65 19.193 -1.347 4.769 1.00 5.46 H new ATOM 0 HD21 LEU B 65 16.997 -1.579 2.622 1.00 4.36 H new ATOM 0 HD22 LEU B 65 18.514 -0.678 2.391 1.00 4.36 H new ATOM 0 HD23 LEU B 65 18.055 -1.958 1.243 1.00 4.36 H new ATOM 745 N VAL B 66 22.534 -3.093 0.588 1.00 3.36 N ATOM 746 CA VAL B 66 23.350 -2.537 -0.483 1.00 3.84 C ATOM 747 C VAL B 66 23.405 -3.485 -1.674 1.00 5.26 C ATOM 748 O VAL B 66 23.305 -3.060 -2.826 1.00 5.97 O ATOM 749 CB VAL B 66 24.785 -2.246 -0.008 1.00 5.93 C ATOM 750 CG1 VAL B 66 25.497 -1.325 -0.987 1.00 6.45 C ATOM 751 CG2 VAL B 66 24.775 -1.647 1.390 1.00 7.31 C ATOM 0 H VAL B 66 23.050 -3.313 1.440 1.00 3.36 H new ATOM 0 HA VAL B 66 22.881 -1.600 -0.784 1.00 3.84 H new ATOM 0 HB VAL B 66 25.332 -3.188 0.030 1.00 5.93 H new ATOM 0 HG11 VAL B 66 26.510 -1.131 -0.634 1.00 6.45 H new ATOM 0 HG12 VAL B 66 25.539 -1.799 -1.968 1.00 6.45 H new ATOM 0 HG13 VAL B 66 24.953 -0.384 -1.062 1.00 6.45 H new ATOM 0 HG21 VAL B 66 25.798 -1.448 1.708 1.00 7.31 H new ATOM 0 HG22 VAL B 66 24.210 -0.715 1.382 1.00 7.31 H new ATOM 0 HG23 VAL B 66 24.309 -2.348 2.083 1.00 7.31 H new ATOM 761 N LYS B 67 23.564 -4.771 -1.388 1.00 6.66 N ATOM 762 CA LYS B 67 23.633 -5.785 -2.434 1.00 8.91 C ATOM 763 C LYS B 67 22.398 -5.727 -3.326 1.00 9.64 C ATOM 764 O LYS B 67 22.506 -5.579 -4.543 1.00 10.81 O ATOM 765 CB LYS B 67 23.766 -7.178 -1.816 1.00 11.48 C ATOM 766 CG LYS B 67 24.093 -8.264 -2.829 1.00 12.77 C ATOM 767 CD LYS B 67 23.516 -9.606 -2.411 1.00 15.47 C ATOM 768 CE LYS B 67 22.571 -10.160 -3.465 1.00 17.18 C ATOM 769 NZ LYS B 67 22.168 -11.562 -3.168 1.00 19.24 N ATOM 0 H LYS B 67 23.648 -5.137 -0.440 1.00 6.66 H new ATOM 0 HA LYS B 67 24.512 -5.583 -3.046 1.00 8.91 H new ATOM 0 HB2 LYS B 67 24.546 -7.156 -1.055 1.00 11.48 H new ATOM 0 HB3 LYS B 67 22.834 -7.433 -1.311 1.00 11.48 H new ATOM 0 HG2 LYS B 67 23.696 -7.984 -3.805 1.00 12.77 H new ATOM 0 HG3 LYS B 67 25.174 -8.349 -2.937 1.00 12.77 H new ATOM 0 HD2 LYS B 67 24.327 -10.314 -2.240 1.00 15.47 H new ATOM 0 HD3 LYS B 67 22.984 -9.496 -1.466 1.00 15.47 H new ATOM 0 HE2 LYS B 67 21.682 -9.531 -3.522 1.00 17.18 H new ATOM 0 HE3 LYS B 67 23.053 -10.120 -4.442 1.00 17.18 H new ATOM 0 HZ1 LYS B 67 21.524 -11.903 -3.910 1.00 19.24 H new ATOM 0 HZ2 LYS B 67 23.013 -12.167 -3.138 1.00 19.24 H new ATOM 0 HZ3 LYS B 67 21.685 -11.597 -2.248 1.00 19.24 H new ATOM 783 N LYS B 68 21.225 -5.841 -2.713 1.00 9.61 N ATOM 784 CA LYS B 68 19.970 -5.799 -3.453 1.00 11.00 C ATOM 785 C LYS B 68 19.867 -4.510 -4.262 1.00 10.53 C ATOM 786 O LYS B 68 19.321 -4.498 -5.365 1.00 11.18 O ATOM 787 CB LYS B 68 18.782 -5.910 -2.496 1.00 10.80 C ATOM 788 CG LYS B 68 17.957 -7.170 -2.696 1.00 12.70 C ATOM 789 CD LYS B 68 18.766 -8.419 -2.390 1.00 14.54 C ATOM 790 CE LYS B 68 17.934 -9.679 -2.568 1.00 16.96 C ATOM 791 NZ LYS B 68 17.968 -10.544 -1.357 1.00 18.30 N ATOM 0 H LYS B 68 21.117 -5.963 -1.706 1.00 9.61 H new ATOM 0 HA LYS B 68 19.951 -6.646 -4.139 1.00 11.00 H new ATOM 0 HB2 LYS B 68 19.149 -5.885 -1.470 1.00 10.80 H new ATOM 0 HB3 LYS B 68 18.139 -5.040 -2.626 1.00 10.80 H new ATOM 0 HG2 LYS B 68 17.079 -7.137 -2.052 1.00 12.70 H new ATOM 0 HG3 LYS B 68 17.597 -7.211 -3.724 1.00 12.70 H new ATOM 0 HD2 LYS B 68 19.636 -8.460 -3.046 1.00 14.54 H new ATOM 0 HD3 LYS B 68 19.140 -8.370 -1.367 1.00 14.54 H new ATOM 0 HE2 LYS B 68 16.903 -9.404 -2.789 1.00 16.96 H new ATOM 0 HE3 LYS B 68 18.305 -10.241 -3.425 1.00 16.96 H new ATOM 0 HZ1 LYS B 68 17.388 -11.392 -1.520 1.00 18.30 H new ATOM 0 HZ2 LYS B 68 18.949 -10.828 -1.160 1.00 18.30 H new ATOM 0 HZ3 LYS B 68 17.590 -10.017 -0.544 1.00 18.30 H new ATOM 805 N MET B 69 20.398 -3.428 -3.703 1.00 9.99 N ATOM 806 CA MET B 69 20.370 -2.132 -4.368 1.00 10.51 C ATOM 807 C MET B 69 21.315 -2.117 -5.566 1.00 11.81 C ATOM 808 O MET B 69 20.932 -1.722 -6.668 1.00 12.68 O ATOM 809 CB MET B 69 20.757 -1.025 -3.385 1.00 8.57 C ATOM 810 CG MET B 69 20.723 0.368 -3.991 1.00 9.38 C ATOM 811 SD MET B 69 21.579 1.585 -2.973 1.00 9.20 S ATOM 812 CE MET B 69 23.204 0.842 -2.852 1.00 7.38 C ATOM 0 H MET B 69 20.853 -3.424 -2.790 1.00 9.99 H new ATOM 0 HA MET B 69 19.356 -1.954 -4.725 1.00 10.51 H new ATOM 0 HB2 MET B 69 20.081 -1.057 -2.531 1.00 8.57 H new ATOM 0 HB3 MET B 69 21.760 -1.222 -3.005 1.00 8.57 H new ATOM 0 HG2 MET B 69 21.179 0.341 -4.981 1.00 9.38 H new ATOM 0 HG3 MET B 69 19.686 0.677 -4.126 1.00 9.38 H new ATOM 0 HE1 MET B 69 23.935 1.607 -2.592 1.00 7.38 H new ATOM 0 HE2 MET B 69 23.195 0.071 -2.081 1.00 7.38 H new ATOM 0 HE3 MET B 69 23.472 0.395 -3.809 1.00 7.38 H new ATOM 822 N VAL B 70 22.550 -2.553 -5.342 1.00 12.00 N ATOM 823 CA VAL B 70 23.550 -2.593 -6.403 1.00 13.28 C ATOM 824 C VAL B 70 23.277 -3.738 -7.375 1.00 14.78 C ATOM 825 O VAL B 70 23.741 -3.719 -8.515 1.00 15.09 O ATOM 826 CB VAL B 70 24.971 -2.740 -5.827 1.00 11.62 C ATOM 827 CG1 VAL B 70 26.004 -2.804 -6.943 1.00 11.51 C ATOM 828 CG2 VAL B 70 25.276 -1.594 -4.873 1.00 9.93 C ATOM 0 H VAL B 70 22.882 -2.883 -4.436 1.00 12.00 H new ATOM 0 HA VAL B 70 23.483 -1.647 -6.940 1.00 13.28 H new ATOM 0 HB VAL B 70 25.021 -3.675 -5.270 1.00 11.62 H new ATOM 0 HG11 VAL B 70 27.000 -2.908 -6.512 1.00 11.51 H new ATOM 0 HG12 VAL B 70 25.795 -3.661 -7.584 1.00 11.51 H new ATOM 0 HG13 VAL B 70 25.958 -1.889 -7.534 1.00 11.51 H new ATOM 0 HG21 VAL B 70 26.283 -1.711 -4.474 1.00 9.93 H new ATOM 0 HG22 VAL B 70 25.206 -0.647 -5.408 1.00 9.93 H new ATOM 0 HG23 VAL B 70 24.558 -1.602 -4.053 1.00 9.93 H new ATOM 838 N PHE B 71 22.521 -4.733 -6.919 1.00 16.11 N ATOM 839 CA PHE B 71 22.187 -5.881 -7.754 1.00 18.04 C ATOM 840 C PHE B 71 21.239 -5.473 -8.877 1.00 19.43 C ATOM 841 O PHE B 71 21.428 -5.855 -10.032 1.00 19.84 O ATOM 842 CB PHE B 71 21.550 -6.985 -6.908 1.00 19.78 C ATOM 843 CG PHE B 71 21.255 -8.239 -7.681 1.00 21.19 C ATOM 844 CD1 PHE B 71 22.277 -9.152 -7.975 1.00 21.98 C ATOM 845 CD2 PHE B 71 19.954 -8.514 -8.124 1.00 22.04 C ATOM 846 CE1 PHE B 71 22.006 -10.319 -8.695 1.00 23.66 C ATOM 847 CE2 PHE B 71 19.676 -9.680 -8.844 1.00 23.52 C ATOM 848 CZ PHE B 71 20.705 -10.584 -9.129 1.00 24.38 C ATOM 0 H PHE B 71 22.129 -4.767 -5.978 1.00 16.11 H new ATOM 0 HA PHE B 71 23.108 -6.260 -8.197 1.00 18.04 H new ATOM 0 HB2 PHE B 71 22.216 -7.227 -6.080 1.00 19.78 H new ATOM 0 HB3 PHE B 71 20.624 -6.610 -6.473 1.00 19.78 H new ATOM 0 HD1 PHE B 71 23.285 -8.952 -7.642 1.00 21.98 H new ATOM 0 HD2 PHE B 71 19.158 -7.818 -7.907 1.00 22.04 H new ATOM 0 HE1 PHE B 71 22.802 -11.015 -8.916 1.00 23.66 H new ATOM 0 HE2 PHE B 71 18.669 -9.882 -9.179 1.00 23.52 H new ATOM 0 HZ PHE B 71 20.494 -11.486 -9.684 1.00 24.38 H new ATOM 858 N ASP B 72 20.221 -4.693 -8.528 1.00 20.40 N ATOM 859 CA ASP B 72 19.245 -4.229 -9.508 1.00 22.12 C ATOM 860 C ASP B 72 19.902 -3.306 -10.527 1.00 20.97 C ATOM 861 O ASP B 72 19.622 -3.383 -11.723 1.00 21.01 O ATOM 862 CB ASP B 72 18.094 -3.503 -8.809 1.00 23.77 C ATOM 863 CG ASP B 72 16.812 -3.544 -9.616 1.00 26.38 C ATOM 864 OD1 ASP B 72 16.096 -4.565 -9.543 1.00 26.93 O ATOM 865 OD2 ASP B 72 16.523 -2.555 -10.324 1.00 28.03 O ATOM 0 H ASP B 72 20.050 -4.369 -7.576 1.00 20.40 H new ATOM 0 HA ASP B 72 18.848 -5.098 -10.033 1.00 22.12 H new ATOM 0 HB2 ASP B 72 17.921 -3.957 -7.833 1.00 23.77 H new ATOM 0 HB3 ASP B 72 18.376 -2.465 -8.632 1.00 23.77 H new ATOM 870 N THR B 73 20.782 -2.432 -10.046 1.00 20.13 N ATOM 871 CA THR B 73 21.483 -1.496 -10.916 1.00 19.17 C ATOM 872 C THR B 73 22.291 -2.241 -11.972 1.00 19.32 C ATOM 873 O THR B 73 22.244 -1.905 -13.156 1.00 20.22 O ATOM 874 CB THR B 73 22.405 -0.594 -10.094 1.00 16.55 C ATOM 875 OG1 THR B 73 21.703 -0.019 -9.005 1.00 16.05 O ATOM 876 CG2 THR B 73 23.009 0.535 -10.899 1.00 16.23 C ATOM 0 H THR B 73 21.026 -2.353 -9.059 1.00 20.13 H new ATOM 0 HA THR B 73 20.739 -0.879 -11.420 1.00 19.17 H new ATOM 0 HB THR B 73 23.210 -1.242 -9.747 1.00 16.55 H new ATOM 0 HG1 THR B 73 21.639 -0.671 -8.276 1.00 16.05 H new ATOM 0 HG21 THR B 73 23.652 1.136 -10.257 1.00 16.23 H new ATOM 0 HG22 THR B 73 23.598 0.123 -11.718 1.00 16.23 H new ATOM 0 HG23 THR B 73 22.213 1.160 -11.303 1.00 16.23 H new ATOM 884 N LEU B 74 23.029 -3.258 -11.537 1.00 18.64 N ATOM 885 CA LEU B 74 23.845 -4.053 -12.447 1.00 18.87 C ATOM 886 C LEU B 74 22.981 -4.698 -13.525 1.00 21.13 C ATOM 887 O LEU B 74 23.332 -4.684 -14.704 1.00 21.62 O ATOM 888 CB LEU B 74 24.606 -5.133 -11.674 1.00 16.85 C ATOM 889 CG LEU B 74 25.805 -4.628 -10.868 1.00 15.00 C ATOM 890 CD1 LEU B 74 26.589 -5.796 -10.291 1.00 15.37 C ATOM 891 CD2 LEU B 74 26.701 -3.759 -11.737 1.00 12.84 C ATOM 0 H LEU B 74 23.078 -3.550 -10.561 1.00 18.64 H new ATOM 0 HA LEU B 74 24.562 -3.388 -12.928 1.00 18.87 H new ATOM 0 HB2 LEU B 74 23.913 -5.628 -10.994 1.00 16.85 H new ATOM 0 HB3 LEU B 74 24.954 -5.887 -12.380 1.00 16.85 H new ATOM 0 HG LEU B 74 25.435 -4.022 -10.041 1.00 15.00 H new ATOM 0 HD11 LEU B 74 27.438 -5.418 -9.721 1.00 15.37 H new ATOM 0 HD12 LEU B 74 25.943 -6.380 -9.636 1.00 15.37 H new ATOM 0 HD13 LEU B 74 26.949 -6.429 -11.102 1.00 15.37 H new ATOM 0 HD21 LEU B 74 27.549 -3.408 -11.149 1.00 12.84 H new ATOM 0 HD22 LEU B 74 27.063 -4.342 -12.583 1.00 12.84 H new ATOM 0 HD23 LEU B 74 26.134 -2.903 -12.103 1.00 12.84 H new ATOM 903 N LYS B 75 21.847 -5.259 -13.114 1.00 22.58 N ATOM 904 CA LYS B 75 20.935 -5.904 -14.051 1.00 24.95 C ATOM 905 C LYS B 75 20.621 -4.975 -15.217 1.00 26.80 C ATOM 906 O LYS B 75 20.600 -5.396 -16.374 1.00 28.56 O ATOM 907 CB LYS B 75 19.642 -6.313 -13.342 1.00 25.18 C ATOM 908 CG LYS B 75 18.920 -7.467 -14.017 1.00 25.98 C ATOM 909 CD LYS B 75 17.978 -8.174 -13.055 1.00 25.74 C ATOM 910 CE LYS B 75 16.927 -8.981 -13.800 1.00 27.78 C ATOM 911 NZ LYS B 75 15.735 -9.258 -12.953 1.00 27.44 N ATOM 0 H LYS B 75 21.539 -5.280 -12.142 1.00 22.58 H new ATOM 0 HA LYS B 75 21.420 -6.799 -14.440 1.00 24.95 H new ATOM 0 HB2 LYS B 75 19.873 -6.591 -12.314 1.00 25.18 H new ATOM 0 HB3 LYS B 75 18.974 -5.453 -13.297 1.00 25.18 H new ATOM 0 HG2 LYS B 75 18.356 -7.094 -14.872 1.00 25.98 H new ATOM 0 HG3 LYS B 75 19.650 -8.179 -14.402 1.00 25.98 H new ATOM 0 HD2 LYS B 75 18.550 -8.833 -12.402 1.00 25.74 H new ATOM 0 HD3 LYS B 75 17.489 -7.439 -12.416 1.00 25.74 H new ATOM 0 HE2 LYS B 75 16.619 -8.438 -14.694 1.00 27.78 H new ATOM 0 HE3 LYS B 75 17.362 -9.923 -14.133 1.00 27.78 H new ATOM 0 HZ1 LYS B 75 15.043 -9.810 -13.498 1.00 27.44 H new ATOM 0 HZ2 LYS B 75 16.024 -9.798 -12.113 1.00 27.44 H new ATOM 0 HZ3 LYS B 75 15.304 -8.359 -12.655 1.00 27.44 H new ATOM 925 N ASP B 76 20.386 -3.706 -14.903 1.00 26.60 N ATOM 926 CA ASP B 76 20.082 -2.711 -15.920 1.00 28.54 C ATOM 927 C ASP B 76 21.344 -2.329 -16.684 1.00 28.92 C ATOM 928 O ASP B 76 21.295 -2.022 -17.875 1.00 30.94 O ATOM 929 CB ASP B 76 19.460 -1.468 -15.280 1.00 28.23 C ATOM 930 CG ASP B 76 18.480 -1.817 -14.176 1.00 27.98 C ATOM 931 OD1 ASP B 76 18.057 -2.991 -14.107 1.00 29.16 O ATOM 932 OD2 ASP B 76 18.135 -0.918 -13.382 1.00 26.71 O ATOM 0 H ASP B 76 20.401 -3.343 -13.950 1.00 26.60 H new ATOM 0 HA ASP B 76 19.366 -3.142 -16.620 1.00 28.54 H new ATOM 0 HB2 ASP B 76 20.251 -0.837 -14.874 1.00 28.23 H new ATOM 0 HB3 ASP B 76 18.948 -0.885 -16.046 1.00 28.23 H new ATOM 937 N LEU B 77 22.477 -2.358 -15.988 1.00 27.01 N ATOM 938 CA LEU B 77 23.758 -2.023 -16.593 1.00 27.20 C ATOM 939 C LEU B 77 24.085 -2.983 -17.731 1.00 29.01 C ATOM 940 O LEU B 77 24.512 -2.564 -18.807 1.00 30.38 O ATOM 941 CB LEU B 77 24.865 -2.067 -15.538 1.00 24.85 C ATOM 942 CG LEU B 77 25.058 -0.771 -14.751 1.00 23.55 C ATOM 943 CD1 LEU B 77 25.957 -1.007 -13.550 1.00 21.36 C ATOM 944 CD2 LEU B 77 25.636 0.313 -15.647 1.00 24.65 C ATOM 0 H LEU B 77 22.532 -2.611 -15.001 1.00 27.01 H new ATOM 0 HA LEU B 77 23.692 -1.014 -17.000 1.00 27.20 H new ATOM 0 HB2 LEU B 77 24.646 -2.872 -14.836 1.00 24.85 H new ATOM 0 HB3 LEU B 77 25.805 -2.320 -16.029 1.00 24.85 H new ATOM 0 HG LEU B 77 24.085 -0.437 -14.391 1.00 23.55 H new ATOM 0 HD11 LEU B 77 26.084 -0.074 -13.001 1.00 21.36 H new ATOM 0 HD12 LEU B 77 25.504 -1.753 -12.897 1.00 21.36 H new ATOM 0 HD13 LEU B 77 26.930 -1.364 -13.888 1.00 21.36 H new ATOM 0 HD21 LEU B 77 25.767 1.229 -15.071 1.00 24.65 H new ATOM 0 HD22 LEU B 77 26.601 -0.013 -16.036 1.00 24.65 H new ATOM 0 HD23 LEU B 77 24.955 0.500 -16.477 1.00 24.65 H new ATOM 956 N TYR B 78 23.876 -4.272 -17.487 1.00 29.22 N ATOM 957 CA TYR B 78 24.143 -5.294 -18.492 1.00 31.10 C ATOM 958 C TYR B 78 23.004 -5.367 -19.503 1.00 32.86 C ATOM 959 O TYR B 78 23.234 -5.510 -20.704 1.00 33.18 O ATOM 960 CB TYR B 78 24.336 -6.657 -17.825 1.00 32.05 C ATOM 961 CG TYR B 78 25.786 -7.015 -17.583 1.00 31.89 C ATOM 962 CD1 TYR B 78 26.536 -7.685 -18.565 1.00 32.98 C ATOM 963 CD2 TYR B 78 26.418 -6.686 -16.372 1.00 30.87 C ATOM 964 CE1 TYR B 78 27.876 -8.018 -18.346 1.00 33.07 C ATOM 965 CE2 TYR B 78 27.757 -7.014 -16.145 1.00 30.86 C ATOM 966 CZ TYR B 78 28.482 -7.679 -17.135 1.00 31.98 C ATOM 967 OH TYR B 78 29.800 -8.004 -16.915 1.00 32.22 O ATOM 0 H TYR B 78 23.522 -4.634 -16.601 1.00 29.22 H new ATOM 0 HA TYR B 78 25.058 -5.023 -19.018 1.00 31.10 H new ATOM 0 HB2 TYR B 78 23.805 -6.664 -16.873 1.00 32.05 H new ATOM 0 HB3 TYR B 78 23.880 -7.425 -18.450 1.00 32.05 H new ATOM 0 HD1 TYR B 78 26.070 -7.947 -19.503 1.00 32.98 H new ATOM 0 HD2 TYR B 78 25.860 -6.171 -15.604 1.00 30.87 H new ATOM 0 HE1 TYR B 78 28.439 -8.535 -19.109 1.00 33.07 H new ATOM 0 HE2 TYR B 78 28.228 -6.754 -15.209 1.00 30.86 H new ATOM 0 HH TYR B 78 30.068 -7.697 -16.024 1.00 32.22 H new ATOM 977 N LYS B 79 21.775 -5.266 -19.008 1.00 34.08 N ATOM 978 CA LYS B 79 20.598 -5.318 -19.867 1.00 35.96 C ATOM 979 C LYS B 79 20.708 -4.301 -20.997 1.00 36.92 C ATOM 980 O LYS B 79 20.152 -4.497 -22.078 1.00 37.27 O ATOM 981 CB LYS B 79 19.331 -5.056 -19.049 1.00 35.42 C ATOM 982 CG LYS B 79 18.074 -4.933 -19.894 1.00 36.97 C ATOM 983 CD LYS B 79 16.835 -4.774 -19.029 1.00 38.18 C ATOM 984 CE LYS B 79 16.249 -6.122 -18.641 1.00 37.53 C ATOM 985 NZ LYS B 79 14.771 -6.156 -18.810 1.00 39.59 N ATOM 0 H LYS B 79 21.568 -5.148 -18.016 1.00 34.08 H new ATOM 0 HA LYS B 79 20.539 -6.315 -20.303 1.00 35.96 H new ATOM 0 HB2 LYS B 79 19.198 -5.866 -18.332 1.00 35.42 H new ATOM 0 HB3 LYS B 79 19.463 -4.139 -18.474 1.00 35.42 H new ATOM 0 HG2 LYS B 79 18.165 -4.076 -20.561 1.00 36.97 H new ATOM 0 HG3 LYS B 79 17.969 -5.817 -20.523 1.00 36.97 H new ATOM 0 HD2 LYS B 79 17.088 -4.214 -18.129 1.00 38.18 H new ATOM 0 HD3 LYS B 79 16.087 -4.192 -19.567 1.00 38.18 H new ATOM 0 HE2 LYS B 79 16.702 -6.903 -19.251 1.00 37.53 H new ATOM 0 HE3 LYS B 79 16.501 -6.342 -17.603 1.00 37.53 H new ATOM 0 HZ1 LYS B 79 14.412 -7.092 -18.535 1.00 39.59 H new ATOM 0 HZ2 LYS B 79 14.336 -5.428 -18.209 1.00 39.59 H new ATOM 0 HZ3 LYS B 79 14.531 -5.972 -19.805 1.00 39.59 H new ATOM 1103 N ALA C 55 25.829 13.566 18.477 1.00 34.81 N ATOM 1104 CA ALA C 55 25.647 12.242 17.899 1.00 33.86 C ATOM 1105 C ALA C 55 25.076 12.344 16.490 1.00 31.34 C ATOM 1106 O ALA C 55 25.440 11.572 15.603 1.00 30.77 O ATOM 1107 CB ALA C 55 24.737 11.400 18.782 1.00 33.89 C ATOM 0 HA ALA C 55 26.621 11.756 17.839 1.00 33.86 H new ATOM 0 HB1 ALA C 55 24.610 10.413 18.337 1.00 33.89 H new ATOM 0 HB2 ALA C 55 25.183 11.298 19.771 1.00 33.89 H new ATOM 0 HB3 ALA C 55 23.765 11.886 18.871 1.00 33.89 H new ATOM 1113 N GLU C 56 24.184 13.309 16.290 1.00 29.89 N ATOM 1114 CA GLU C 56 23.566 13.522 14.987 1.00 27.53 C ATOM 1115 C GLU C 56 24.617 13.921 13.961 1.00 28.00 C ATOM 1116 O GLU C 56 24.773 13.269 12.929 1.00 28.29 O ATOM 1117 CB GLU C 56 22.487 14.602 15.081 1.00 26.20 C ATOM 1118 CG GLU C 56 21.399 14.468 14.027 1.00 25.08 C ATOM 1119 CD GLU C 56 20.528 15.705 13.931 1.00 24.40 C ATOM 1120 OE1 GLU C 56 19.716 15.934 14.852 1.00 23.22 O ATOM 1121 OE2 GLU C 56 20.658 16.446 12.933 1.00 25.29 O ATOM 0 H GLU C 56 23.873 13.956 17.015 1.00 29.89 H new ATOM 0 HA GLU C 56 23.102 12.589 14.668 1.00 27.53 H new ATOM 0 HB2 GLU C 56 22.030 14.563 16.070 1.00 26.20 H new ATOM 0 HB3 GLU C 56 22.956 15.581 14.985 1.00 26.20 H new ATOM 0 HG2 GLU C 56 21.859 14.275 13.058 1.00 25.08 H new ATOM 0 HG3 GLU C 56 20.775 13.606 14.261 1.00 25.08 H new ATOM 1128 N ARG C 57 25.341 14.990 14.260 1.00 28.28 N ATOM 1129 CA ARG C 57 26.389 15.476 13.372 1.00 29.06 C ATOM 1130 C ARG C 57 27.513 14.453 13.275 1.00 27.94 C ATOM 1131 O ARG C 57 27.963 14.107 12.183 1.00 27.79 O ATOM 1132 CB ARG C 57 26.937 16.814 13.874 1.00 31.02 C ATOM 1133 CG ARG C 57 26.100 18.010 13.453 1.00 31.06 C ATOM 1134 CD ARG C 57 25.303 18.571 14.621 1.00 32.41 C ATOM 1135 NE ARG C 57 26.158 19.255 15.588 1.00 34.76 N ATOM 1136 CZ ARG C 57 26.707 20.445 15.373 1.00 35.62 C ATOM 1137 NH1 ARG C 57 26.493 21.081 14.229 1.00 34.34 N ATOM 1138 NH2 ARG C 57 27.471 21.002 16.303 1.00 37.84 N ATOM 0 H ARG C 57 25.222 15.538 15.112 1.00 28.28 H new ATOM 0 HA ARG C 57 25.961 15.625 12.380 1.00 29.06 H new ATOM 0 HB2 ARG C 57 26.996 16.788 14.962 1.00 31.02 H new ATOM 0 HB3 ARG C 57 27.953 16.943 13.502 1.00 31.02 H new ATOM 0 HG2 ARG C 57 26.750 18.786 13.048 1.00 31.06 H new ATOM 0 HG3 ARG C 57 25.419 17.716 12.654 1.00 31.06 H new ATOM 0 HD2 ARG C 57 24.551 19.266 14.247 1.00 32.41 H new ATOM 0 HD3 ARG C 57 24.769 17.761 15.118 1.00 32.41 H new ATOM 0 HE ARG C 57 26.344 18.793 16.478 1.00 34.76 H new ATOM 0 HH11 ARG C 57 25.905 20.656 13.512 1.00 34.34 H new ATOM 0 HH12 ARG C 57 26.916 21.995 14.067 1.00 34.34 H new ATOM 0 HH21 ARG C 57 27.637 20.516 17.184 1.00 37.84 H new ATOM 0 HH22 ARG C 57 27.892 21.916 16.137 1.00 37.84 H new ATOM 1152 N LEU C 58 27.954 13.969 14.430 1.00 27.36 N ATOM 1153 CA LEU C 58 29.019 12.976 14.490 1.00 26.33 C ATOM 1154 C LEU C 58 28.683 11.777 13.610 1.00 23.94 C ATOM 1155 O LEU C 58 29.504 11.333 12.806 1.00 24.17 O ATOM 1156 CB LEU C 58 29.234 12.522 15.936 1.00 26.87 C ATOM 1157 CG LEU C 58 30.184 11.336 16.118 1.00 27.79 C ATOM 1158 CD1 LEU C 58 29.473 10.027 15.809 1.00 25.68 C ATOM 1159 CD2 LEU C 58 31.415 11.495 15.239 1.00 28.85 C ATOM 0 H LEU C 58 27.589 14.249 15.340 1.00 27.36 H new ATOM 0 HA LEU C 58 29.938 13.431 14.120 1.00 26.33 H new ATOM 0 HB2 LEU C 58 29.619 13.365 16.510 1.00 26.87 H new ATOM 0 HB3 LEU C 58 28.267 12.260 16.364 1.00 26.87 H new ATOM 0 HG LEU C 58 30.506 11.314 17.159 1.00 27.79 H new ATOM 0 HD11 LEU C 58 30.165 9.196 15.944 1.00 25.68 H new ATOM 0 HD12 LEU C 58 28.625 9.906 16.483 1.00 25.68 H new ATOM 0 HD13 LEU C 58 29.119 10.040 14.778 1.00 25.68 H new ATOM 0 HD21 LEU C 58 32.078 10.642 15.383 1.00 28.85 H new ATOM 0 HD22 LEU C 58 31.111 11.546 14.193 1.00 28.85 H new ATOM 0 HD23 LEU C 58 31.939 12.411 15.510 1.00 28.85 H new ATOM 1171 N ALA C 59 27.469 11.260 13.766 1.00 21.68 N ATOM 1172 CA ALA C 59 27.017 10.115 12.987 1.00 19.32 C ATOM 1173 C ALA C 59 27.140 10.390 11.493 1.00 19.14 C ATOM 1174 O ALA C 59 27.429 9.488 10.707 1.00 19.90 O ATOM 1175 CB ALA C 59 25.578 9.770 13.346 1.00 18.11 C ATOM 0 H ALA C 59 26.779 11.618 14.427 1.00 21.68 H new ATOM 0 HA ALA C 59 27.654 9.264 13.228 1.00 19.32 H new ATOM 0 HB1 ALA C 59 25.252 8.913 12.757 1.00 18.11 H new ATOM 0 HB2 ALA C 59 25.516 9.527 14.407 1.00 18.11 H new ATOM 0 HB3 ALA C 59 24.935 10.623 13.131 1.00 18.11 H new ATOM 1181 N ASP C 60 26.924 11.644 11.109 1.00 18.24 N ATOM 1182 CA ASP C 60 27.014 12.040 9.709 1.00 18.01 C ATOM 1183 C ASP C 60 28.413 11.777 9.162 1.00 18.23 C ATOM 1184 O ASP C 60 28.573 11.243 8.066 1.00 17.68 O ATOM 1185 CB ASP C 60 26.664 13.521 9.553 1.00 17.63 C ATOM 1186 CG ASP C 60 26.106 13.843 8.180 1.00 17.66 C ATOM 1187 OD1 ASP C 60 26.793 13.551 7.179 1.00 17.50 O ATOM 1188 OD2 ASP C 60 24.983 14.385 8.107 1.00 18.15 O ATOM 0 H ASP C 60 26.686 12.403 11.748 1.00 18.24 H new ATOM 0 HA ASP C 60 26.301 11.444 9.140 1.00 18.01 H new ATOM 0 HB2 ASP C 60 25.935 13.801 10.313 1.00 17.63 H new ATOM 0 HB3 ASP C 60 27.556 14.123 9.730 1.00 17.63 H new ATOM 1193 N GLU C 61 29.425 12.156 9.938 1.00 19.19 N ATOM 1194 CA GLU C 61 30.811 11.959 9.535 1.00 19.50 C ATOM 1195 C GLU C 61 31.067 10.505 9.161 1.00 19.88 C ATOM 1196 O GLU C 61 31.560 10.209 8.072 1.00 20.12 O ATOM 1197 CB GLU C 61 31.756 12.383 10.661 1.00 19.50 C ATOM 1198 CG GLU C 61 32.862 13.322 10.208 1.00 20.32 C ATOM 1199 CD GLU C 61 33.973 12.599 9.471 1.00 19.33 C ATOM 1200 OE1 GLU C 61 33.664 11.683 8.681 1.00 18.29 O ATOM 1201 OE2 GLU C 61 35.153 12.949 9.686 1.00 19.76 O ATOM 0 H GLU C 61 29.310 12.601 10.849 1.00 19.19 H new ATOM 0 HA GLU C 61 31.000 12.579 8.659 1.00 19.50 H new ATOM 0 HB2 GLU C 61 31.177 12.870 11.446 1.00 19.50 H new ATOM 0 HB3 GLU C 61 32.205 11.493 11.102 1.00 19.50 H new ATOM 0 HG2 GLU C 61 32.440 14.089 9.559 1.00 20.32 H new ATOM 0 HG3 GLU C 61 33.279 13.833 11.076 1.00 20.32 H new ATOM 1208 N GLN C 62 30.725 9.603 10.071 1.00 19.97 N ATOM 1209 CA GLN C 62 30.912 8.175 9.843 1.00 20.36 C ATOM 1210 C GLN C 62 30.249 7.741 8.539 1.00 19.17 C ATOM 1211 O GLN C 62 30.841 7.013 7.742 1.00 20.10 O ATOM 1212 CB GLN C 62 30.340 7.372 11.011 1.00 19.96 C ATOM 1213 CG GLN C 62 31.347 7.112 12.118 1.00 22.34 C ATOM 1214 CD GLN C 62 31.653 8.353 12.933 1.00 22.92 C ATOM 1215 OE1 GLN C 62 30.964 9.367 12.823 1.00 23.40 O ATOM 1216 NE2 GLN C 62 32.692 8.279 13.757 1.00 23.05 N ATOM 0 H GLN C 62 30.316 9.835 10.976 1.00 19.97 H new ATOM 0 HA GLN C 62 31.982 7.981 9.768 1.00 20.36 H new ATOM 0 HB2 GLN C 62 29.486 7.907 11.426 1.00 19.96 H new ATOM 0 HB3 GLN C 62 29.968 6.418 10.638 1.00 19.96 H new ATOM 0 HG2 GLN C 62 30.963 6.334 12.778 1.00 22.34 H new ATOM 0 HG3 GLN C 62 32.271 6.732 11.682 1.00 22.34 H new ATOM 0 HE21 GLN C 62 33.236 7.418 13.816 1.00 23.05 H new ATOM 0 HE22 GLN C 62 32.946 9.083 14.331 1.00 23.05 H new ATOM 1225 N SER C 63 29.019 8.197 8.327 1.00 17.29 N ATOM 1226 CA SER C 63 28.275 7.857 7.120 1.00 16.32 C ATOM 1227 C SER C 63 29.028 8.313 5.874 1.00 16.43 C ATOM 1228 O SER C 63 29.038 7.623 4.855 1.00 14.86 O ATOM 1229 CB SER C 63 26.887 8.499 7.153 1.00 17.14 C ATOM 1230 OG SER C 63 26.159 8.080 8.295 1.00 17.81 O ATOM 0 H SER C 63 28.516 8.803 8.975 1.00 17.29 H new ATOM 0 HA SER C 63 28.165 6.773 7.083 1.00 16.32 H new ATOM 0 HB2 SER C 63 26.985 9.585 7.158 1.00 17.14 H new ATOM 0 HB3 SER C 63 26.338 8.233 6.250 1.00 17.14 H new ATOM 0 HG SER C 63 26.532 8.506 9.095 1.00 17.81 H new ATOM 1236 N GLU C 64 29.656 9.480 5.965 1.00 18.48 N ATOM 1237 CA GLU C 64 30.413 10.030 4.848 1.00 19.00 C ATOM 1238 C GLU C 64 31.542 9.091 4.440 1.00 17.62 C ATOM 1239 O GLU C 64 31.867 8.971 3.259 1.00 17.13 O ATOM 1240 CB GLU C 64 30.981 11.402 5.217 1.00 21.51 C ATOM 1241 CG GLU C 64 30.770 12.459 4.145 1.00 21.95 C ATOM 1242 CD GLU C 64 31.684 13.656 4.319 1.00 24.78 C ATOM 1243 OE1 GLU C 64 32.914 13.456 4.401 1.00 26.49 O ATOM 1244 OE2 GLU C 64 31.170 14.792 4.375 1.00 25.30 O ATOM 0 H GLU C 64 29.655 10.063 6.802 1.00 18.48 H new ATOM 0 HA GLU C 64 29.735 10.141 4.002 1.00 19.00 H new ATOM 0 HB2 GLU C 64 30.518 11.740 6.144 1.00 21.51 H new ATOM 0 HB3 GLU C 64 32.049 11.303 5.412 1.00 21.51 H new ATOM 0 HG2 GLU C 64 30.941 12.016 3.164 1.00 21.95 H new ATOM 0 HG3 GLU C 64 29.732 12.792 4.168 1.00 21.95 H new ATOM 1251 N LEU C 65 32.134 8.424 5.425 1.00 17.05 N ATOM 1252 CA LEU C 65 33.224 7.491 5.166 1.00 15.82 C ATOM 1253 C LEU C 65 32.719 6.270 4.405 1.00 14.08 C ATOM 1254 O LEU C 65 33.390 5.766 3.503 1.00 14.12 O ATOM 1255 CB LEU C 65 33.874 7.057 6.481 1.00 16.36 C ATOM 1256 CG LEU C 65 34.841 8.071 7.092 1.00 17.68 C ATOM 1257 CD1 LEU C 65 34.838 7.966 8.610 1.00 16.71 C ATOM 1258 CD2 LEU C 65 36.246 7.865 6.545 1.00 19.47 C ATOM 0 H LEU C 65 31.878 8.512 6.408 1.00 17.05 H new ATOM 0 HA LEU C 65 33.969 7.998 4.553 1.00 15.82 H new ATOM 0 HB2 LEU C 65 33.087 6.847 7.205 1.00 16.36 H new ATOM 0 HB3 LEU C 65 34.410 6.123 6.312 1.00 16.36 H new ATOM 0 HG LEU C 65 34.508 9.072 6.817 1.00 17.68 H new ATOM 0 HD11 LEU C 65 35.532 8.696 9.027 1.00 16.71 H new ATOM 0 HD12 LEU C 65 33.834 8.164 8.986 1.00 16.71 H new ATOM 0 HD13 LEU C 65 35.145 6.963 8.906 1.00 16.71 H new ATOM 0 HD21 LEU C 65 36.921 8.596 6.991 1.00 19.47 H new ATOM 0 HD22 LEU C 65 36.588 6.859 6.789 1.00 19.47 H new ATOM 0 HD23 LEU C 65 36.237 7.993 5.463 1.00 19.47 H new ATOM 1270 N VAL C 66 31.533 5.800 4.774 1.00 13.05 N ATOM 1271 CA VAL C 66 30.934 4.639 4.130 1.00 11.67 C ATOM 1272 C VAL C 66 30.433 4.982 2.731 1.00 9.40 C ATOM 1273 O VAL C 66 30.656 4.232 1.781 1.00 9.20 O ATOM 1274 CB VAL C 66 29.763 4.077 4.957 1.00 12.42 C ATOM 1275 CG1 VAL C 66 29.259 2.775 4.354 1.00 11.51 C ATOM 1276 CG2 VAL C 66 30.182 3.877 6.406 1.00 14.89 C ATOM 0 H VAL C 66 30.966 6.207 5.518 1.00 13.05 H new ATOM 0 HA VAL C 66 31.715 3.882 4.059 1.00 11.67 H new ATOM 0 HB VAL C 66 28.946 4.799 4.935 1.00 12.42 H new ATOM 0 HG11 VAL C 66 28.432 2.393 4.952 1.00 11.51 H new ATOM 0 HG12 VAL C 66 28.917 2.954 3.335 1.00 11.51 H new ATOM 0 HG13 VAL C 66 30.066 2.043 4.342 1.00 11.51 H new ATOM 0 HG21 VAL C 66 29.342 3.479 6.976 1.00 14.89 H new ATOM 0 HG22 VAL C 66 31.015 3.176 6.450 1.00 14.89 H new ATOM 0 HG23 VAL C 66 30.489 4.833 6.831 1.00 14.89 H new ATOM 1286 N LYS C 67 29.756 6.120 2.610 1.00 8.29 N ATOM 1287 CA LYS C 67 29.227 6.555 1.323 1.00 6.17 C ATOM 1288 C LYS C 67 30.353 6.747 0.314 1.00 6.88 C ATOM 1289 O LYS C 67 30.296 6.226 -0.800 1.00 7.13 O ATOM 1290 CB LYS C 67 28.440 7.856 1.486 1.00 6.27 C ATOM 1291 CG LYS C 67 27.884 8.399 0.180 1.00 6.08 C ATOM 1292 CD LYS C 67 27.461 9.852 0.318 1.00 5.89 C ATOM 1293 CE LYS C 67 26.959 10.414 -1.002 1.00 5.09 C ATOM 1294 NZ LYS C 67 26.867 11.900 -0.973 1.00 5.51 N ATOM 0 H LYS C 67 29.562 6.755 3.384 1.00 8.29 H new ATOM 0 HA LYS C 67 28.557 5.781 0.949 1.00 6.17 H new ATOM 0 HB2 LYS C 67 27.616 7.688 2.180 1.00 6.27 H new ATOM 0 HB3 LYS C 67 29.087 8.608 1.936 1.00 6.27 H new ATOM 0 HG2 LYS C 67 28.638 8.311 -0.602 1.00 6.08 H new ATOM 0 HG3 LYS C 67 27.030 7.798 -0.131 1.00 6.08 H new ATOM 0 HD2 LYS C 67 26.677 9.934 1.071 1.00 5.89 H new ATOM 0 HD3 LYS C 67 28.305 10.446 0.670 1.00 5.89 H new ATOM 0 HE2 LYS C 67 27.629 10.107 -1.805 1.00 5.09 H new ATOM 0 HE3 LYS C 67 25.979 9.994 -1.226 1.00 5.09 H new ATOM 0 HZ1 LYS C 67 26.521 12.244 -1.891 1.00 5.51 H new ATOM 0 HZ2 LYS C 67 26.208 12.192 -0.223 1.00 5.51 H new ATOM 0 HZ3 LYS C 67 27.807 12.302 -0.784 1.00 5.51 H new ATOM 1308 N LYS C 68 31.381 7.489 0.712 1.00 8.15 N ATOM 1309 CA LYS C 68 32.522 7.737 -0.160 1.00 9.71 C ATOM 1310 C LYS C 68 33.129 6.417 -0.623 1.00 10.05 C ATOM 1311 O LYS C 68 33.642 6.313 -1.737 1.00 12.00 O ATOM 1312 CB LYS C 68 33.577 8.574 0.563 1.00 12.02 C ATOM 1313 CG LYS C 68 33.419 10.070 0.351 1.00 13.50 C ATOM 1314 CD LYS C 68 34.629 10.836 0.859 1.00 13.74 C ATOM 1315 CE LYS C 68 34.663 10.875 2.379 1.00 12.67 C ATOM 1316 NZ LYS C 68 35.361 12.088 2.887 1.00 13.61 N ATOM 0 H LYS C 68 31.447 7.928 1.630 1.00 8.15 H new ATOM 0 HA LYS C 68 32.175 8.292 -1.032 1.00 9.71 H new ATOM 0 HB2 LYS C 68 33.529 8.360 1.631 1.00 12.02 H new ATOM 0 HB3 LYS C 68 34.566 8.270 0.221 1.00 12.02 H new ATOM 0 HG2 LYS C 68 33.277 10.275 -0.710 1.00 13.50 H new ATOM 0 HG3 LYS C 68 32.524 10.419 0.866 1.00 13.50 H new ATOM 0 HD2 LYS C 68 35.540 10.369 0.485 1.00 13.74 H new ATOM 0 HD3 LYS C 68 34.608 11.853 0.468 1.00 13.74 H new ATOM 0 HE2 LYS C 68 33.644 10.854 2.766 1.00 12.67 H new ATOM 0 HE3 LYS C 68 35.165 9.983 2.754 1.00 12.67 H new ATOM 0 HZ1 LYS C 68 36.129 11.804 3.529 1.00 13.61 H new ATOM 0 HZ2 LYS C 68 35.758 12.621 2.087 1.00 13.61 H new ATOM 0 HZ3 LYS C 68 34.685 12.688 3.401 1.00 13.61 H new ATOM 1330 N MET C 69 33.063 5.410 0.243 1.00 8.23 N ATOM 1331 CA MET C 69 33.599 4.093 -0.070 1.00 8.38 C ATOM 1332 C MET C 69 32.795 3.434 -1.187 1.00 7.07 C ATOM 1333 O MET C 69 33.357 2.819 -2.092 1.00 6.37 O ATOM 1334 CB MET C 69 33.589 3.209 1.180 1.00 8.31 C ATOM 1335 CG MET C 69 33.936 1.755 0.907 1.00 7.05 C ATOM 1336 SD MET C 69 34.007 0.763 2.412 1.00 7.96 S ATOM 1337 CE MET C 69 32.276 0.710 2.866 1.00 8.06 C ATOM 0 H MET C 69 32.642 5.483 1.169 1.00 8.23 H new ATOM 0 HA MET C 69 34.627 4.212 -0.411 1.00 8.38 H new ATOM 0 HB2 MET C 69 34.297 3.612 1.904 1.00 8.31 H new ATOM 0 HB3 MET C 69 32.602 3.257 1.639 1.00 8.31 H new ATOM 0 HG2 MET C 69 33.195 1.329 0.231 1.00 7.05 H new ATOM 0 HG3 MET C 69 34.898 1.705 0.398 1.00 7.05 H new ATOM 0 HE1 MET C 69 32.077 -0.196 3.438 1.00 8.06 H new ATOM 0 HE2 MET C 69 32.032 1.583 3.472 1.00 8.06 H new ATOM 0 HE3 MET C 69 31.663 0.711 1.965 1.00 8.06 H new ATOM 1347 N VAL C 70 31.474 3.568 -1.114 1.00 7.53 N ATOM 1348 CA VAL C 70 30.590 2.987 -2.115 1.00 7.98 C ATOM 1349 C VAL C 70 30.691 3.742 -3.438 1.00 8.64 C ATOM 1350 O VAL C 70 30.766 3.131 -4.504 1.00 8.60 O ATOM 1351 CB VAL C 70 29.123 2.979 -1.626 1.00 8.20 C ATOM 1352 CG1 VAL C 70 28.168 2.550 -2.734 1.00 9.36 C ATOM 1353 CG2 VAL C 70 28.980 2.066 -0.421 1.00 6.05 C ATOM 0 H VAL C 70 30.993 4.075 -0.371 1.00 7.53 H new ATOM 0 HA VAL C 70 30.909 1.957 -2.274 1.00 7.98 H new ATOM 0 HB VAL C 70 28.859 3.996 -1.337 1.00 8.20 H new ATOM 0 HG11 VAL C 70 27.146 2.556 -2.356 1.00 9.36 H new ATOM 0 HG12 VAL C 70 28.249 3.242 -3.572 1.00 9.36 H new ATOM 0 HG13 VAL C 70 28.426 1.545 -3.068 1.00 9.36 H new ATOM 0 HG21 VAL C 70 27.943 2.067 -0.084 1.00 6.05 H new ATOM 0 HG22 VAL C 70 29.271 1.052 -0.696 1.00 6.05 H new ATOM 0 HG23 VAL C 70 29.623 2.422 0.384 1.00 6.05 H new ATOM 1363 N PHE C 71 30.695 5.069 -3.365 1.00 9.70 N ATOM 1364 CA PHE C 71 30.790 5.892 -4.565 1.00 10.52 C ATOM 1365 C PHE C 71 31.962 5.444 -5.432 1.00 10.49 C ATOM 1366 O PHE C 71 31.772 5.016 -6.568 1.00 10.26 O ATOM 1367 CB PHE C 71 30.941 7.371 -4.200 1.00 11.87 C ATOM 1368 CG PHE C 71 31.236 8.251 -5.382 1.00 13.40 C ATOM 1369 CD1 PHE C 71 30.442 8.183 -6.536 1.00 14.02 C ATOM 1370 CD2 PHE C 71 32.315 9.145 -5.355 1.00 14.70 C ATOM 1371 CE1 PHE C 71 30.720 8.991 -7.642 1.00 15.68 C ATOM 1372 CE2 PHE C 71 32.597 9.957 -6.458 1.00 16.48 C ATOM 1373 CZ PHE C 71 31.798 9.879 -7.602 1.00 16.88 C ATOM 0 H PHE C 71 30.634 5.595 -2.493 1.00 9.70 H new ATOM 0 HA PHE C 71 29.867 5.768 -5.132 1.00 10.52 H new ATOM 0 HB2 PHE C 71 30.024 7.715 -3.721 1.00 11.87 H new ATOM 0 HB3 PHE C 71 31.742 7.477 -3.469 1.00 11.87 H new ATOM 0 HD1 PHE C 71 29.607 7.499 -6.570 1.00 14.02 H new ATOM 0 HD2 PHE C 71 32.935 9.207 -4.473 1.00 14.70 H new ATOM 0 HE1 PHE C 71 30.103 8.929 -8.526 1.00 15.68 H new ATOM 0 HE2 PHE C 71 33.431 10.643 -6.426 1.00 16.48 H new ATOM 0 HZ PHE C 71 32.014 10.505 -8.455 1.00 16.88 H new ATOM 1383 N ASP C 72 33.171 5.543 -4.892 1.00 10.86 N ATOM 1384 CA ASP C 72 34.365 5.140 -5.627 1.00 10.92 C ATOM 1385 C ASP C 72 34.208 3.722 -6.164 1.00 9.99 C ATOM 1386 O ASP C 72 34.555 3.441 -7.311 1.00 10.76 O ATOM 1387 CB ASP C 72 35.601 5.228 -4.728 1.00 11.42 C ATOM 1388 CG ASP C 72 36.181 6.627 -4.677 1.00 12.65 C ATOM 1389 OD1 ASP C 72 35.919 7.413 -5.612 1.00 15.00 O ATOM 1390 OD2 ASP C 72 36.898 6.938 -3.702 1.00 11.30 O ATOM 0 H ASP C 72 33.351 5.897 -3.952 1.00 10.86 H new ATOM 0 HA ASP C 72 34.495 5.820 -6.469 1.00 10.92 H new ATOM 0 HB2 ASP C 72 35.336 4.911 -3.719 1.00 11.42 H new ATOM 0 HB3 ASP C 72 36.361 4.536 -5.091 1.00 11.42 H new ATOM 1395 N THR C 73 33.673 2.834 -5.331 1.00 8.72 N ATOM 1396 CA THR C 73 33.462 1.449 -5.731 1.00 7.81 C ATOM 1397 C THR C 73 32.461 1.379 -6.880 1.00 8.95 C ATOM 1398 O THR C 73 32.827 1.093 -8.020 1.00 9.70 O ATOM 1399 CB THR C 73 32.962 0.618 -4.543 1.00 5.60 C ATOM 1400 OG1 THR C 73 33.990 0.444 -3.585 1.00 4.03 O ATOM 1401 CG2 THR C 73 32.457 -0.760 -4.928 1.00 5.14 C ATOM 0 H THR C 73 33.379 3.049 -4.378 1.00 8.72 H new ATOM 0 HA THR C 73 34.413 1.037 -6.067 1.00 7.81 H new ATOM 0 HB THR C 73 32.126 1.186 -4.134 1.00 5.60 H new ATOM 0 HG1 THR C 73 33.954 1.172 -2.930 1.00 4.03 H new ATOM 0 HG21 THR C 73 32.121 -1.287 -4.035 1.00 5.14 H new ATOM 0 HG22 THR C 73 31.625 -0.661 -5.626 1.00 5.14 H new ATOM 0 HG23 THR C 73 33.262 -1.324 -5.400 1.00 5.14 H new ATOM 1409 N LEU C 74 31.196 1.645 -6.570 1.00 9.41 N ATOM 1410 CA LEU C 74 30.142 1.615 -7.576 1.00 11.02 C ATOM 1411 C LEU C 74 30.533 2.441 -8.798 1.00 11.71 C ATOM 1412 O LEU C 74 30.236 2.069 -9.934 1.00 12.49 O ATOM 1413 CB LEU C 74 28.831 2.136 -6.987 1.00 11.15 C ATOM 1414 CG LEU C 74 28.199 1.238 -5.920 1.00 10.58 C ATOM 1415 CD1 LEU C 74 26.749 1.628 -5.693 1.00 13.00 C ATOM 1416 CD2 LEU C 74 28.301 -0.228 -6.320 1.00 9.10 C ATOM 0 H LEU C 74 30.877 1.883 -5.631 1.00 9.41 H new ATOM 0 HA LEU C 74 30.002 0.581 -7.891 1.00 11.02 H new ATOM 0 HB2 LEU C 74 29.011 3.119 -6.553 1.00 11.15 H new ATOM 0 HB3 LEU C 74 28.115 2.271 -7.797 1.00 11.15 H new ATOM 0 HG LEU C 74 28.746 1.375 -4.987 1.00 10.58 H new ATOM 0 HD11 LEU C 74 26.313 0.981 -4.932 1.00 13.00 H new ATOM 0 HD12 LEU C 74 26.699 2.665 -5.360 1.00 13.00 H new ATOM 0 HD13 LEU C 74 26.193 1.519 -6.624 1.00 13.00 H new ATOM 0 HD21 LEU C 74 27.846 -0.848 -5.548 1.00 9.10 H new ATOM 0 HD22 LEU C 74 27.780 -0.384 -7.265 1.00 9.10 H new ATOM 0 HD23 LEU C 74 29.350 -0.502 -6.434 1.00 9.10 H new ATOM 1428 N LYS C 75 31.208 3.558 -8.554 1.00 11.60 N ATOM 1429 CA LYS C 75 31.652 4.437 -9.629 1.00 12.41 C ATOM 1430 C LYS C 75 32.439 3.650 -10.668 1.00 13.94 C ATOM 1431 O LYS C 75 31.995 3.472 -11.802 1.00 15.70 O ATOM 1432 CB LYS C 75 32.522 5.563 -9.066 1.00 10.53 C ATOM 1433 CG LYS C 75 33.132 6.460 -10.130 1.00 11.34 C ATOM 1434 CD LYS C 75 33.947 7.584 -9.511 1.00 9.73 C ATOM 1435 CE LYS C 75 35.312 7.096 -9.054 1.00 7.77 C ATOM 1436 NZ LYS C 75 36.203 8.223 -8.663 1.00 6.31 N ATOM 0 H LYS C 75 31.460 3.877 -7.619 1.00 11.60 H new ATOM 0 HA LYS C 75 30.772 4.870 -10.105 1.00 12.41 H new ATOM 0 HB2 LYS C 75 31.919 6.173 -8.393 1.00 10.53 H new ATOM 0 HB3 LYS C 75 33.323 5.126 -8.470 1.00 10.53 H new ATOM 0 HG2 LYS C 75 33.768 5.867 -10.786 1.00 11.34 H new ATOM 0 HG3 LYS C 75 32.340 6.882 -10.749 1.00 11.34 H new ATOM 0 HD2 LYS C 75 34.071 8.387 -10.237 1.00 9.73 H new ATOM 0 HD3 LYS C 75 33.406 8.002 -8.662 1.00 9.73 H new ATOM 0 HE2 LYS C 75 35.191 6.419 -8.208 1.00 7.77 H new ATOM 0 HE3 LYS C 75 35.780 6.525 -9.855 1.00 7.77 H new ATOM 0 HZ1 LYS C 75 37.133 8.103 -9.113 1.00 6.31 H new ATOM 0 HZ2 LYS C 75 35.782 9.122 -8.973 1.00 6.31 H new ATOM 0 HZ3 LYS C 75 36.318 8.232 -7.629 1.00 6.31 H new ATOM 1450 N ASP C 76 33.612 3.181 -10.264 1.00 13.52 N ATOM 1451 CA ASP C 76 34.473 2.406 -11.147 1.00 15.19 C ATOM 1452 C ASP C 76 33.830 1.070 -11.508 1.00 16.52 C ATOM 1453 O ASP C 76 34.086 0.519 -12.579 1.00 18.44 O ATOM 1454 CB ASP C 76 35.831 2.168 -10.484 1.00 14.52 C ATOM 1455 CG ASP C 76 36.891 3.135 -10.972 1.00 14.88 C ATOM 1456 OD1 ASP C 76 36.583 4.340 -11.098 1.00 16.60 O ATOM 1457 OD2 ASP C 76 38.028 2.690 -11.229 1.00 13.80 O ATOM 0 H ASP C 76 33.990 3.324 -9.327 1.00 13.52 H new ATOM 0 HA ASP C 76 34.616 2.976 -12.065 1.00 15.19 H new ATOM 0 HB2 ASP C 76 35.726 2.264 -9.403 1.00 14.52 H new ATOM 0 HB3 ASP C 76 36.155 1.147 -10.684 1.00 14.52 H new ATOM 1462 N LEU C 77 32.999 0.551 -10.610 1.00 15.68 N ATOM 1463 CA LEU C 77 32.324 -0.723 -10.835 1.00 17.01 C ATOM 1464 C LEU C 77 31.322 -0.613 -11.983 1.00 19.69 C ATOM 1465 O LEU C 77 31.492 -1.239 -13.028 1.00 21.32 O ATOM 1466 CB LEU C 77 31.629 -1.180 -9.547 1.00 15.85 C ATOM 1467 CG LEU C 77 30.528 -2.232 -9.720 1.00 16.27 C ATOM 1468 CD1 LEU C 77 30.984 -3.336 -10.661 1.00 15.95 C ATOM 1469 CD2 LEU C 77 30.131 -2.811 -8.371 1.00 17.29 C ATOM 0 H LEU C 77 32.776 0.993 -9.718 1.00 15.68 H new ATOM 0 HA LEU C 77 33.069 -1.468 -11.115 1.00 17.01 H new ATOM 0 HB2 LEU C 77 32.385 -1.580 -8.871 1.00 15.85 H new ATOM 0 HB3 LEU C 77 31.197 -0.306 -9.060 1.00 15.85 H new ATOM 0 HG LEU C 77 29.656 -1.748 -10.159 1.00 16.27 H new ATOM 0 HD11 LEU C 77 30.188 -4.073 -10.770 1.00 15.95 H new ATOM 0 HD12 LEU C 77 31.220 -2.909 -11.636 1.00 15.95 H new ATOM 0 HD13 LEU C 77 31.872 -3.819 -10.252 1.00 15.95 H new ATOM 0 HD21 LEU C 77 29.348 -3.556 -8.511 1.00 17.29 H new ATOM 0 HD22 LEU C 77 30.999 -3.279 -7.906 1.00 17.29 H new ATOM 0 HD23 LEU C 77 29.761 -2.013 -7.727 1.00 17.29 H new ATOM 1481 N TYR C 78 30.278 0.186 -11.782 1.00 20.22 N ATOM 1482 CA TYR C 78 29.253 0.373 -12.804 1.00 22.79 C ATOM 1483 C TYR C 78 29.882 0.725 -14.148 1.00 23.51 C ATOM 1484 O TYR C 78 29.357 0.372 -15.203 1.00 24.21 O ATOM 1485 CB TYR C 78 28.273 1.471 -12.386 1.00 24.46 C ATOM 1486 CG TYR C 78 27.406 1.105 -11.199 1.00 24.98 C ATOM 1487 CD1 TYR C 78 27.051 -0.232 -10.941 1.00 25.48 C ATOM 1488 CD2 TYR C 78 26.929 2.099 -10.327 1.00 25.21 C ATOM 1489 CE1 TYR C 78 26.248 -0.566 -9.847 1.00 26.27 C ATOM 1490 CE2 TYR C 78 26.126 1.771 -9.230 1.00 25.76 C ATOM 1491 CZ TYR C 78 25.788 0.439 -8.996 1.00 26.33 C ATOM 1492 OH TYR C 78 24.997 0.113 -7.918 1.00 27.17 O ATOM 0 H TYR C 78 30.120 0.713 -10.923 1.00 20.22 H new ATOM 0 HA TYR C 78 28.710 -0.566 -12.910 1.00 22.79 H new ATOM 0 HB2 TYR C 78 28.835 2.374 -12.147 1.00 24.46 H new ATOM 0 HB3 TYR C 78 27.630 1.711 -13.233 1.00 24.46 H new ATOM 0 HD1 TYR C 78 27.405 -1.012 -11.599 1.00 25.48 H new ATOM 0 HD2 TYR C 78 27.187 3.132 -10.507 1.00 25.21 H new ATOM 0 HE1 TYR C 78 25.985 -1.597 -9.661 1.00 26.27 H new ATOM 0 HE2 TYR C 78 25.770 2.546 -8.567 1.00 25.76 H new ATOM 0 HH TYR C 78 24.096 0.475 -8.052 1.00 27.17 H new ATOM 1502 N LYS C 79 31.012 1.424 -14.102 1.00 23.45 N ATOM 1503 CA LYS C 79 31.712 1.822 -15.318 1.00 24.18 C ATOM 1504 C LYS C 79 32.252 0.602 -16.059 1.00 24.44 C ATOM 1505 O LYS C 79 32.465 0.644 -17.271 1.00 24.18 O ATOM 1506 CB LYS C 79 32.859 2.778 -14.984 1.00 22.28 C ATOM 1507 CG LYS C 79 32.788 4.098 -15.732 1.00 23.72 C ATOM 1508 CD LYS C 79 33.515 5.202 -14.981 1.00 23.71 C ATOM 1509 CE LYS C 79 33.998 6.293 -15.926 1.00 23.54 C ATOM 1510 NZ LYS C 79 35.333 6.820 -15.529 1.00 23.15 N ATOM 0 H LYS C 79 31.462 1.726 -13.238 1.00 23.45 H new ATOM 0 HA LYS C 79 31.000 2.333 -15.965 1.00 24.18 H new ATOM 0 HB2 LYS C 79 32.855 2.977 -13.912 1.00 22.28 H new ATOM 0 HB3 LYS C 79 33.806 2.290 -15.214 1.00 22.28 H new ATOM 0 HG2 LYS C 79 33.227 3.980 -16.723 1.00 23.72 H new ATOM 0 HG3 LYS C 79 31.745 4.380 -15.877 1.00 23.72 H new ATOM 0 HD2 LYS C 79 32.850 5.634 -14.234 1.00 23.71 H new ATOM 0 HD3 LYS C 79 34.365 4.780 -14.445 1.00 23.71 H new ATOM 0 HE2 LYS C 79 34.051 5.898 -16.940 1.00 23.54 H new ATOM 0 HE3 LYS C 79 33.275 7.108 -15.939 1.00 23.54 H new ATOM 0 HZ1 LYS C 79 35.627 7.561 -16.197 1.00 23.15 H new ATOM 0 HZ2 LYS C 79 35.277 7.220 -14.571 1.00 23.15 H new ATOM 0 HZ3 LYS C 79 36.029 6.047 -15.541 1.00 23.15 H new ATOM 1524 N LYS C 80 32.472 -0.483 -15.323 1.00 25.11 N ATOM 1525 CA LYS C 80 32.988 -1.713 -15.908 1.00 25.75 C ATOM 1526 C LYS C 80 31.991 -2.309 -16.898 1.00 28.46 C ATOM 1527 O LYS C 80 32.356 -2.689 -18.010 1.00 29.40 O ATOM 1528 CB LYS C 80 33.306 -2.731 -14.811 1.00 25.45 C ATOM 1529 CG LYS C 80 34.392 -3.720 -15.197 1.00 25.00 C ATOM 1530 CD LYS C 80 33.802 -5.025 -15.708 1.00 26.97 C ATOM 1531 CE LYS C 80 34.069 -6.171 -14.746 1.00 27.51 C ATOM 1532 NZ LYS C 80 34.023 -7.492 -15.431 1.00 29.82 N ATOM 0 H LYS C 80 32.300 -0.534 -14.319 1.00 25.11 H new ATOM 0 HA LYS C 80 33.904 -1.471 -16.446 1.00 25.75 H new ATOM 0 HB2 LYS C 80 33.614 -2.199 -13.911 1.00 25.45 H new ATOM 0 HB3 LYS C 80 32.398 -3.280 -14.562 1.00 25.45 H new ATOM 0 HG2 LYS C 80 35.028 -3.282 -15.966 1.00 25.00 H new ATOM 0 HG3 LYS C 80 35.027 -3.920 -14.334 1.00 25.00 H new ATOM 0 HD2 LYS C 80 32.727 -4.909 -15.849 1.00 26.97 H new ATOM 0 HD3 LYS C 80 34.227 -5.261 -16.683 1.00 26.97 H new ATOM 0 HE2 LYS C 80 35.046 -6.036 -14.283 1.00 27.51 H new ATOM 0 HE3 LYS C 80 33.331 -6.152 -13.944 1.00 27.51 H new ATOM 0 HZ1 LYS C 80 34.210 -8.247 -14.741 1.00 29.82 H new ATOM 0 HZ2 LYS C 80 33.082 -7.632 -15.852 1.00 29.82 H new ATOM 0 HZ3 LYS C 80 34.745 -7.520 -16.179 1.00 29.82 H new ATOM 1546 N THR C 81 30.733 -2.387 -16.482 1.00 29.74 N ATOM 1547 CA THR C 81 29.680 -2.936 -17.329 1.00 32.37 C ATOM 1548 C THR C 81 29.627 -2.211 -18.668 1.00 33.21 C ATOM 1549 O THR C 81 29.827 -2.814 -19.723 1.00 32.71 O ATOM 1550 CB THR C 81 28.325 -2.835 -16.628 1.00 33.19 C ATOM 1551 OG1 THR C 81 28.053 -1.497 -16.253 1.00 31.94 O ATOM 1552 CG2 THR C 81 28.230 -3.689 -15.382 1.00 33.42 C ATOM 0 H THR C 81 30.416 -2.077 -15.563 1.00 29.74 H new ATOM 0 HA THR C 81 29.908 -3.986 -17.512 1.00 32.37 H new ATOM 0 HB THR C 81 27.597 -3.198 -17.354 1.00 33.19 H new ATOM 0 HG1 THR C 81 28.832 -1.122 -15.791 1.00 31.94 H new ATOM 0 HG21 THR C 81 27.243 -3.571 -14.934 1.00 33.42 H new ATOM 0 HG22 THR C 81 28.386 -4.735 -15.645 1.00 33.42 H new ATOM 0 HG23 THR C 81 28.992 -3.377 -14.668 1.00 33.42 H new ATOM 1616 N ASP D 54 26.581 7.151 -17.214 1.00 33.14 N ATOM 1617 CA ASP D 54 25.474 6.928 -16.293 1.00 31.25 C ATOM 1618 C ASP D 54 25.957 6.217 -15.034 1.00 29.66 C ATOM 1619 O ASP D 54 25.353 6.340 -13.969 1.00 28.86 O ATOM 1620 CB ASP D 54 24.377 6.104 -16.971 1.00 31.62 C ATOM 1621 CG ASP D 54 23.453 6.956 -17.820 1.00 31.72 C ATOM 1622 OD1 ASP D 54 23.833 8.101 -18.145 1.00 32.97 O ATOM 1623 OD2 ASP D 54 22.351 6.478 -18.160 1.00 30.81 O ATOM 0 HA ASP D 54 25.065 7.898 -16.009 1.00 31.25 H new ATOM 0 HB2 ASP D 54 24.836 5.338 -17.596 1.00 31.62 H new ATOM 0 HB3 ASP D 54 23.792 5.587 -16.210 1.00 31.62 H new ATOM 1628 N ALA D 55 27.052 5.475 -15.165 1.00 29.38 N ATOM 1629 CA ALA D 55 27.621 4.745 -14.040 1.00 28.02 C ATOM 1630 C ALA D 55 27.885 5.674 -12.861 1.00 26.99 C ATOM 1631 O ALA D 55 27.658 5.311 -11.707 1.00 25.57 O ATOM 1632 CB ALA D 55 28.906 4.048 -14.464 1.00 28.74 C ATOM 0 H ALA D 55 27.563 5.364 -16.041 1.00 29.38 H new ATOM 0 HA ALA D 55 26.899 3.993 -13.721 1.00 28.02 H new ATOM 0 HB1 ALA D 55 29.323 3.505 -13.615 1.00 28.74 H new ATOM 0 HB2 ALA D 55 28.691 3.348 -15.272 1.00 28.74 H new ATOM 0 HB3 ALA D 55 29.626 4.790 -14.809 1.00 28.74 H new ATOM 1638 N GLU D 56 28.366 6.878 -13.160 1.00 27.82 N ATOM 1639 CA GLU D 56 28.659 7.862 -12.125 1.00 27.05 C ATOM 1640 C GLU D 56 27.388 8.274 -11.392 1.00 26.33 C ATOM 1641 O GLU D 56 27.252 8.049 -10.189 1.00 26.77 O ATOM 1642 CB GLU D 56 29.329 9.092 -12.741 1.00 28.26 C ATOM 1643 CG GLU D 56 29.551 10.224 -11.753 1.00 29.72 C ATOM 1644 CD GLU D 56 30.738 11.093 -12.121 1.00 31.64 C ATOM 1645 OE1 GLU D 56 31.547 10.665 -12.970 1.00 31.99 O ATOM 1646 OE2 GLU D 56 30.858 12.203 -11.559 1.00 32.92 O ATOM 0 H GLU D 56 28.561 7.194 -14.110 1.00 27.82 H new ATOM 0 HA GLU D 56 29.339 7.407 -11.405 1.00 27.05 H new ATOM 0 HB2 GLU D 56 30.289 8.798 -13.165 1.00 28.26 H new ATOM 0 HB3 GLU D 56 28.715 9.455 -13.565 1.00 28.26 H new ATOM 0 HG2 GLU D 56 28.654 10.841 -11.706 1.00 29.72 H new ATOM 0 HG3 GLU D 56 29.705 9.808 -10.757 1.00 29.72 H new ATOM 1653 N ARG D 57 26.454 8.874 -12.126 1.00 25.46 N ATOM 1654 CA ARG D 57 25.191 9.313 -11.542 1.00 25.06 C ATOM 1655 C ARG D 57 24.538 8.181 -10.759 1.00 23.60 C ATOM 1656 O ARG D 57 23.975 8.395 -9.686 1.00 23.75 O ATOM 1657 CB ARG D 57 24.241 9.805 -12.635 1.00 24.71 C ATOM 1658 CG ARG D 57 23.839 8.721 -13.622 1.00 23.11 C ATOM 1659 CD ARG D 57 22.771 9.210 -14.585 1.00 22.89 C ATOM 1660 NE ARG D 57 21.601 8.337 -14.594 1.00 21.19 N ATOM 1661 CZ ARG D 57 20.712 8.305 -15.582 1.00 19.90 C ATOM 1662 NH1 ARG D 57 20.864 9.091 -16.639 1.00 20.22 N ATOM 1663 NH2 ARG D 57 19.671 7.486 -15.513 1.00 18.40 N ATOM 0 H ARG D 57 26.548 9.067 -13.123 1.00 25.46 H new ATOM 0 HA ARG D 57 25.401 10.135 -10.858 1.00 25.06 H new ATOM 0 HB2 ARG D 57 23.344 10.212 -12.169 1.00 24.71 H new ATOM 0 HB3 ARG D 57 24.717 10.622 -13.178 1.00 24.71 H new ATOM 0 HG2 ARG D 57 24.715 8.396 -14.184 1.00 23.11 H new ATOM 0 HG3 ARG D 57 23.469 7.852 -13.078 1.00 23.11 H new ATOM 0 HD2 ARG D 57 22.468 10.220 -14.308 1.00 22.89 H new ATOM 0 HD3 ARG D 57 23.188 9.267 -15.590 1.00 22.89 H new ATOM 0 HE ARG D 57 21.457 7.717 -13.797 1.00 21.19 H new ATOM 0 HH11 ARG D 57 21.664 9.721 -16.695 1.00 20.22 H new ATOM 0 HH12 ARG D 57 20.181 9.065 -17.396 1.00 20.22 H new ATOM 0 HH21 ARG D 57 19.552 6.880 -14.701 1.00 18.40 H new ATOM 0 HH22 ARG D 57 18.990 7.462 -16.272 1.00 18.40 H new ATOM 1677 N LEU D 58 24.622 6.973 -11.305 1.00 22.32 N ATOM 1678 CA LEU D 58 24.045 5.801 -10.660 1.00 21.11 C ATOM 1679 C LEU D 58 24.668 5.580 -9.288 1.00 19.31 C ATOM 1680 O LEU D 58 23.975 5.580 -8.271 1.00 17.16 O ATOM 1681 CB LEU D 58 24.251 4.560 -11.531 1.00 21.67 C ATOM 1682 CG LEU D 58 23.024 4.118 -12.327 1.00 20.61 C ATOM 1683 CD1 LEU D 58 23.417 3.121 -13.405 1.00 19.94 C ATOM 1684 CD2 LEU D 58 21.978 3.520 -11.400 1.00 19.97 C ATOM 0 H LEU D 58 25.085 6.780 -12.193 1.00 22.32 H new ATOM 0 HA LEU D 58 22.976 5.974 -10.534 1.00 21.11 H new ATOM 0 HB2 LEU D 58 25.066 4.755 -12.228 1.00 21.67 H new ATOM 0 HB3 LEU D 58 24.568 3.735 -10.893 1.00 21.67 H new ATOM 0 HG LEU D 58 22.594 4.994 -12.813 1.00 20.61 H new ATOM 0 HD11 LEU D 58 22.530 2.818 -13.961 1.00 19.94 H new ATOM 0 HD12 LEU D 58 24.131 3.584 -14.086 1.00 19.94 H new ATOM 0 HD13 LEU D 58 23.872 2.245 -12.942 1.00 19.94 H new ATOM 0 HD21 LEU D 58 21.110 3.210 -11.982 1.00 19.97 H new ATOM 0 HD22 LEU D 58 22.398 2.655 -10.887 1.00 19.97 H new ATOM 0 HD23 LEU D 58 21.674 4.266 -10.665 1.00 19.97 H new ATOM 1696 N ALA D 59 25.983 5.396 -9.273 1.00 20.33 N ATOM 1697 CA ALA D 59 26.717 5.177 -8.033 1.00 18.97 C ATOM 1698 C ALA D 59 26.321 6.198 -6.975 1.00 18.04 C ATOM 1699 O ALA D 59 26.260 5.887 -5.785 1.00 17.95 O ATOM 1700 CB ALA D 59 28.216 5.237 -8.294 1.00 19.01 C ATOM 0 H ALA D 59 26.565 5.394 -10.111 1.00 20.33 H new ATOM 0 HA ALA D 59 26.463 4.186 -7.656 1.00 18.97 H new ATOM 0 HB1 ALA D 59 28.755 5.072 -7.361 1.00 19.01 H new ATOM 0 HB2 ALA D 59 28.491 4.466 -9.013 1.00 19.01 H new ATOM 0 HB3 ALA D 59 28.477 6.216 -8.695 1.00 19.01 H new ATOM 1706 N ASP D 60 26.050 7.421 -7.419 1.00 17.56 N ATOM 1707 CA ASP D 60 25.656 8.491 -6.513 1.00 16.67 C ATOM 1708 C ASP D 60 24.368 8.130 -5.781 1.00 13.67 C ATOM 1709 O ASP D 60 24.296 8.210 -4.555 1.00 12.69 O ATOM 1710 CB ASP D 60 25.471 9.799 -7.285 1.00 17.81 C ATOM 1711 CG ASP D 60 25.039 10.942 -6.388 1.00 18.69 C ATOM 1712 OD1 ASP D 60 24.891 10.716 -5.168 1.00 18.23 O ATOM 1713 OD2 ASP D 60 24.849 12.063 -6.904 1.00 19.93 O ATOM 0 H ASP D 60 26.096 7.695 -8.401 1.00 17.56 H new ATOM 0 HA ASP D 60 26.448 8.624 -5.776 1.00 16.67 H new ATOM 0 HB2 ASP D 60 26.406 10.062 -7.779 1.00 17.81 H new ATOM 0 HB3 ASP D 60 24.727 9.654 -8.068 1.00 17.81 H new ATOM 1718 N GLU D 61 23.354 7.726 -6.541 1.00 12.45 N ATOM 1719 CA GLU D 61 22.072 7.345 -5.961 1.00 9.58 C ATOM 1720 C GLU D 61 22.259 6.229 -4.939 1.00 8.44 C ATOM 1721 O GLU D 61 21.569 6.183 -3.921 1.00 6.89 O ATOM 1722 CB GLU D 61 21.104 6.895 -7.056 1.00 9.43 C ATOM 1723 CG GLU D 61 20.525 8.042 -7.867 1.00 11.39 C ATOM 1724 CD GLU D 61 19.011 8.001 -7.937 1.00 11.70 C ATOM 1725 OE1 GLU D 61 18.365 8.114 -6.875 1.00 10.19 O ATOM 1726 OE2 GLU D 61 18.472 7.855 -9.055 1.00 13.81 O ATOM 0 H GLU D 61 23.396 7.654 -7.558 1.00 12.45 H new ATOM 0 HA GLU D 61 21.652 8.215 -5.456 1.00 9.58 H new ATOM 0 HB2 GLU D 61 21.622 6.211 -7.728 1.00 9.43 H new ATOM 0 HB3 GLU D 61 20.287 6.336 -6.600 1.00 9.43 H new ATOM 0 HG2 GLU D 61 20.839 8.988 -7.427 1.00 11.39 H new ATOM 0 HG3 GLU D 61 20.933 8.010 -8.877 1.00 11.39 H new ATOM 1733 N GLN D 62 23.202 5.335 -5.218 1.00 9.59 N ATOM 1734 CA GLN D 62 23.487 4.221 -4.321 1.00 9.02 C ATOM 1735 C GLN D 62 24.147 4.718 -3.040 1.00 10.14 C ATOM 1736 O GLN D 62 23.687 4.421 -1.938 1.00 10.36 O ATOM 1737 CB GLN D 62 24.392 3.201 -5.012 1.00 8.41 C ATOM 1738 CG GLN D 62 24.126 3.051 -6.502 1.00 8.34 C ATOM 1739 CD GLN D 62 22.647 2.984 -6.830 1.00 5.67 C ATOM 1740 OE1 GLN D 62 21.805 2.883 -5.937 1.00 3.91 O ATOM 1741 NE2 GLN D 62 22.323 3.039 -8.117 1.00 6.17 N ATOM 0 H GLN D 62 23.781 5.360 -6.057 1.00 9.59 H new ATOM 0 HA GLN D 62 22.543 3.740 -4.063 1.00 9.02 H new ATOM 0 HB2 GLN D 62 25.432 3.495 -4.866 1.00 8.41 H new ATOM 0 HB3 GLN D 62 24.264 2.231 -4.531 1.00 8.41 H new ATOM 0 HG2 GLN D 62 24.574 3.891 -7.033 1.00 8.34 H new ATOM 0 HG3 GLN D 62 24.615 2.147 -6.865 1.00 8.34 H new ATOM 0 HE21 GLN D 62 23.054 3.123 -8.824 1.00 6.17 H new ATOM 0 HE22 GLN D 62 21.344 2.998 -8.399 1.00 6.17 H new ATOM 1750 N SER D 63 25.226 5.479 -3.194 1.00 11.22 N ATOM 1751 CA SER D 63 25.946 6.021 -2.048 1.00 12.58 C ATOM 1752 C SER D 63 24.989 6.747 -1.109 1.00 11.70 C ATOM 1753 O SER D 63 24.877 6.403 0.067 1.00 10.73 O ATOM 1754 CB SER D 63 27.046 6.977 -2.512 1.00 15.52 C ATOM 1755 OG SER D 63 27.509 6.631 -3.806 1.00 16.11 O ATOM 0 H SER D 63 25.620 5.734 -4.100 1.00 11.22 H new ATOM 0 HA SER D 63 26.404 5.191 -1.509 1.00 12.58 H new ATOM 0 HB2 SER D 63 26.665 7.998 -2.519 1.00 15.52 H new ATOM 0 HB3 SER D 63 27.876 6.951 -1.806 1.00 15.52 H new ATOM 0 HG SER D 63 26.880 6.966 -4.479 1.00 16.11 H new ATOM 1761 N GLU D 64 24.297 7.751 -1.640 1.00 12.51 N ATOM 1762 CA GLU D 64 23.345 8.520 -0.854 1.00 12.85 C ATOM 1763 C GLU D 64 22.369 7.596 -0.137 1.00 10.52 C ATOM 1764 O GLU D 64 21.932 7.881 0.978 1.00 10.55 O ATOM 1765 CB GLU D 64 22.585 9.490 -1.758 1.00 14.14 C ATOM 1766 CG GLU D 64 21.631 8.805 -2.722 1.00 12.62 C ATOM 1767 CD GLU D 64 20.779 9.790 -3.497 1.00 14.23 C ATOM 1768 OE1 GLU D 64 21.216 10.227 -4.583 1.00 15.85 O ATOM 1769 OE2 GLU D 64 19.674 10.124 -3.021 1.00 13.90 O ATOM 0 H GLU D 64 24.380 8.049 -2.612 1.00 12.51 H new ATOM 0 HA GLU D 64 23.894 9.088 -0.103 1.00 12.85 H new ATOM 0 HB2 GLU D 64 22.022 10.187 -1.137 1.00 14.14 H new ATOM 0 HB3 GLU D 64 23.303 10.080 -2.328 1.00 14.14 H new ATOM 0 HG2 GLU D 64 22.203 8.196 -3.422 1.00 12.62 H new ATOM 0 HG3 GLU D 64 20.982 8.128 -2.166 1.00 12.62 H new ATOM 1776 N LEU D 65 22.038 6.483 -0.783 1.00 9.11 N ATOM 1777 CA LEU D 65 21.119 5.511 -0.207 1.00 7.20 C ATOM 1778 C LEU D 65 21.748 4.834 1.007 1.00 5.49 C ATOM 1779 O LEU D 65 21.093 4.642 2.032 1.00 4.61 O ATOM 1780 CB LEU D 65 20.733 4.461 -1.251 1.00 7.43 C ATOM 1781 CG LEU D 65 19.280 4.526 -1.729 1.00 9.29 C ATOM 1782 CD1 LEU D 65 19.186 4.164 -3.204 1.00 9.83 C ATOM 1783 CD2 LEU D 65 18.404 3.604 -0.895 1.00 8.87 C ATOM 0 H LEU D 65 22.393 6.233 -1.706 1.00 9.11 H new ATOM 0 HA LEU D 65 20.220 6.037 0.114 1.00 7.20 H new ATOM 0 HB2 LEU D 65 21.389 4.571 -2.115 1.00 7.43 H new ATOM 0 HB3 LEU D 65 20.918 3.471 -0.834 1.00 7.43 H new ATOM 0 HG LEU D 65 18.921 5.548 -1.604 1.00 9.29 H new ATOM 0 HD11 LEU D 65 18.146 4.216 -3.526 1.00 9.83 H new ATOM 0 HD12 LEU D 65 19.782 4.864 -3.789 1.00 9.83 H new ATOM 0 HD13 LEU D 65 19.563 3.152 -3.355 1.00 9.83 H new ATOM 0 HD21 LEU D 65 17.374 3.663 -1.248 1.00 8.87 H new ATOM 0 HD22 LEU D 65 18.762 2.579 -0.989 1.00 8.87 H new ATOM 0 HD23 LEU D 65 18.447 3.909 0.151 1.00 8.87 H new ATOM 1795 N VAL D 66 23.023 4.478 0.884 1.00 5.69 N ATOM 1796 CA VAL D 66 23.741 3.828 1.971 1.00 5.75 C ATOM 1797 C VAL D 66 23.892 4.764 3.164 1.00 5.89 C ATOM 1798 O VAL D 66 23.720 4.357 4.312 1.00 6.05 O ATOM 1799 CB VAL D 66 25.139 3.360 1.523 1.00 6.77 C ATOM 1800 CG1 VAL D 66 25.712 2.361 2.517 1.00 7.75 C ATOM 1801 CG2 VAL D 66 25.077 2.761 0.126 1.00 6.87 C ATOM 0 H VAL D 66 23.579 4.629 0.042 1.00 5.69 H new ATOM 0 HA VAL D 66 23.152 2.959 2.263 1.00 5.75 H new ATOM 0 HB VAL D 66 25.801 4.225 1.493 1.00 6.77 H new ATOM 0 HG11 VAL D 66 26.700 2.042 2.184 1.00 7.75 H new ATOM 0 HG12 VAL D 66 25.794 2.830 3.498 1.00 7.75 H new ATOM 0 HG13 VAL D 66 25.054 1.495 2.583 1.00 7.75 H new ATOM 0 HG21 VAL D 66 26.073 2.436 -0.175 1.00 6.87 H new ATOM 0 HG22 VAL D 66 24.401 1.906 0.126 1.00 6.87 H new ATOM 0 HG23 VAL D 66 24.713 3.511 -0.576 1.00 6.87 H new ATOM 1811 N LYS D 67 24.213 6.021 2.880 1.00 6.27 N ATOM 1812 CA LYS D 67 24.386 7.019 3.927 1.00 6.52 C ATOM 1813 C LYS D 67 23.138 7.117 4.795 1.00 6.31 C ATOM 1814 O LYS D 67 23.204 6.959 6.013 1.00 6.11 O ATOM 1815 CB LYS D 67 24.703 8.384 3.313 1.00 6.46 C ATOM 1816 CG LYS D 67 25.142 9.422 4.334 1.00 8.97 C ATOM 1817 CD LYS D 67 24.746 10.825 3.905 1.00 8.94 C ATOM 1818 CE LYS D 67 23.860 11.495 4.944 1.00 10.01 C ATOM 1819 NZ LYS D 67 23.638 12.935 4.639 1.00 9.18 N ATOM 0 H LYS D 67 24.359 6.372 1.934 1.00 6.27 H new ATOM 0 HA LYS D 67 25.221 6.709 4.556 1.00 6.52 H new ATOM 0 HB2 LYS D 67 25.489 8.264 2.568 1.00 6.46 H new ATOM 0 HB3 LYS D 67 23.821 8.752 2.789 1.00 6.46 H new ATOM 0 HG2 LYS D 67 24.693 9.196 5.301 1.00 8.97 H new ATOM 0 HG3 LYS D 67 26.223 9.371 4.465 1.00 8.97 H new ATOM 0 HD2 LYS D 67 25.642 11.425 3.748 1.00 8.94 H new ATOM 0 HD3 LYS D 67 24.221 10.780 2.951 1.00 8.94 H new ATOM 0 HE2 LYS D 67 22.900 10.981 4.988 1.00 10.01 H new ATOM 0 HE3 LYS D 67 24.318 11.399 5.928 1.00 10.01 H new ATOM 0 HZ1 LYS D 67 23.030 13.355 5.370 1.00 9.18 H new ATOM 0 HZ2 LYS D 67 24.552 13.431 4.622 1.00 9.18 H new ATOM 0 HZ3 LYS D 67 23.177 13.026 3.711 1.00 9.18 H new ATOM 1833 N LYS D 68 21.999 7.374 4.160 1.00 7.12 N ATOM 1834 CA LYS D 68 20.736 7.489 4.879 1.00 7.70 C ATOM 1835 C LYS D 68 20.460 6.226 5.687 1.00 8.42 C ATOM 1836 O LYS D 68 19.902 6.286 6.784 1.00 9.19 O ATOM 1837 CB LYS D 68 19.588 7.743 3.901 1.00 7.29 C ATOM 1838 CG LYS D 68 18.922 9.097 4.087 1.00 8.83 C ATOM 1839 CD LYS D 68 19.885 10.235 3.796 1.00 9.26 C ATOM 1840 CE LYS D 68 19.213 11.589 3.961 1.00 9.33 C ATOM 1841 NZ LYS D 68 19.378 12.443 2.752 1.00 10.11 N ATOM 0 H LYS D 68 21.925 7.506 3.151 1.00 7.12 H new ATOM 0 HA LYS D 68 20.810 8.333 5.565 1.00 7.70 H new ATOM 0 HB2 LYS D 68 19.967 7.670 2.882 1.00 7.29 H new ATOM 0 HB3 LYS D 68 18.840 6.959 4.020 1.00 7.29 H new ATOM 0 HG2 LYS D 68 18.058 9.172 3.427 1.00 8.83 H new ATOM 0 HG3 LYS D 68 18.552 9.184 5.108 1.00 8.83 H new ATOM 0 HD2 LYS D 68 20.742 10.169 4.467 1.00 9.26 H new ATOM 0 HD3 LYS D 68 20.267 10.139 2.780 1.00 9.26 H new ATOM 0 HE2 LYS D 68 18.151 11.445 4.161 1.00 9.33 H new ATOM 0 HE3 LYS D 68 19.634 12.100 4.827 1.00 9.33 H new ATOM 0 HZ1 LYS D 68 18.906 13.357 2.905 1.00 10.11 H new ATOM 0 HZ2 LYS D 68 20.390 12.602 2.575 1.00 10.11 H new ATOM 0 HZ3 LYS D 68 18.953 11.967 1.930 1.00 10.11 H new ATOM 1855 N MET D 69 20.858 5.084 5.137 1.00 8.33 N ATOM 1856 CA MET D 69 20.659 3.803 5.803 1.00 9.05 C ATOM 1857 C MET D 69 21.574 3.673 7.016 1.00 9.85 C ATOM 1858 O MET D 69 21.128 3.328 8.110 1.00 11.29 O ATOM 1859 CB MET D 69 20.921 2.657 4.824 1.00 8.45 C ATOM 1860 CG MET D 69 20.705 1.279 5.427 1.00 9.54 C ATOM 1861 SD MET D 69 21.409 -0.035 4.413 1.00 8.86 S ATOM 1862 CE MET D 69 23.119 0.492 4.320 1.00 6.97 C ATOM 0 H MET D 69 21.321 5.020 4.230 1.00 8.33 H new ATOM 0 HA MET D 69 19.626 3.752 6.146 1.00 9.05 H new ATOM 0 HB2 MET D 69 20.267 2.772 3.960 1.00 8.45 H new ATOM 0 HB3 MET D 69 21.946 2.728 4.460 1.00 8.45 H new ATOM 0 HG2 MET D 69 21.152 1.246 6.420 1.00 9.54 H new ATOM 0 HG3 MET D 69 19.636 1.104 5.553 1.00 9.54 H new ATOM 0 HE1 MET D 69 23.753 -0.367 4.100 1.00 6.97 H new ATOM 0 HE2 MET D 69 23.228 1.235 3.530 1.00 6.97 H new ATOM 0 HE3 MET D 69 23.417 0.929 5.273 1.00 6.97 H new ATOM 1872 N VAL D 70 22.857 3.955 6.813 1.00 9.32 N ATOM 1873 CA VAL D 70 23.836 3.872 7.889 1.00 9.95 C ATOM 1874 C VAL D 70 23.692 5.042 8.859 1.00 11.03 C ATOM 1875 O VAL D 70 24.129 4.965 10.007 1.00 10.55 O ATOM 1876 CB VAL D 70 25.274 3.842 7.334 1.00 10.15 C ATOM 1877 CG1 VAL D 70 26.290 3.778 8.467 1.00 10.37 C ATOM 1878 CG2 VAL D 70 25.448 2.665 6.385 1.00 9.50 C ATOM 0 H VAL D 70 23.242 4.243 5.913 1.00 9.32 H new ATOM 0 HA VAL D 70 23.643 2.942 8.424 1.00 9.95 H new ATOM 0 HB VAL D 70 25.449 4.763 6.778 1.00 10.15 H new ATOM 0 HG11 VAL D 70 27.298 3.758 8.052 1.00 10.37 H new ATOM 0 HG12 VAL D 70 26.178 4.654 9.106 1.00 10.37 H new ATOM 0 HG13 VAL D 70 26.122 2.876 9.056 1.00 10.37 H new ATOM 0 HG21 VAL D 70 26.468 2.656 6.000 1.00 9.50 H new ATOM 0 HG22 VAL D 70 25.253 1.735 6.919 1.00 9.50 H new ATOM 0 HG23 VAL D 70 24.748 2.760 5.555 1.00 9.50 H new ATOM 1888 N PHE D 71 23.075 6.123 8.391 1.00 12.89 N ATOM 1889 CA PHE D 71 22.871 7.304 9.220 1.00 14.13 C ATOM 1890 C PHE D 71 21.860 7.018 10.325 1.00 16.75 C ATOM 1891 O PHE D 71 22.074 7.373 11.484 1.00 17.75 O ATOM 1892 CB PHE D 71 22.390 8.478 8.365 1.00 14.63 C ATOM 1893 CG PHE D 71 22.238 9.759 9.134 1.00 14.22 C ATOM 1894 CD1 PHE D 71 23.360 10.538 9.447 1.00 12.92 C ATOM 1895 CD2 PHE D 71 20.974 10.194 9.554 1.00 15.23 C ATOM 1896 CE1 PHE D 71 23.223 11.731 10.164 1.00 12.64 C ATOM 1897 CE2 PHE D 71 20.830 11.386 10.270 1.00 14.99 C ATOM 1898 CZ PHE D 71 21.956 12.155 10.576 1.00 13.70 C ATOM 0 H PHE D 71 22.708 6.204 7.443 1.00 12.89 H new ATOM 0 HA PHE D 71 23.824 7.567 9.679 1.00 14.13 H new ATOM 0 HB2 PHE D 71 23.095 8.635 7.549 1.00 14.63 H new ATOM 0 HB3 PHE D 71 21.432 8.219 7.913 1.00 14.63 H new ATOM 0 HD1 PHE D 71 24.341 10.214 9.131 1.00 12.92 H new ATOM 0 HD2 PHE D 71 20.101 9.602 9.322 1.00 15.23 H new ATOM 0 HE1 PHE D 71 24.095 12.324 10.399 1.00 12.64 H new ATOM 0 HE2 PHE D 71 19.850 11.712 10.586 1.00 14.99 H new ATOM 0 HZ PHE D 71 21.848 13.076 11.130 1.00 13.70 H new ATOM 1908 N ASP D 72 20.760 6.368 9.958 1.00 18.10 N ATOM 1909 CA ASP D 72 19.718 6.030 10.920 1.00 20.67 C ATOM 1910 C ASP D 72 20.239 5.036 11.950 1.00 20.87 C ATOM 1911 O ASP D 72 19.951 5.153 13.142 1.00 21.15 O ATOM 1912 CB ASP D 72 18.497 5.451 10.203 1.00 22.01 C ATOM 1913 CG ASP D 72 17.218 5.651 10.989 1.00 23.28 C ATOM 1914 OD1 ASP D 72 16.634 6.752 10.904 1.00 23.33 O ATOM 1915 OD2 ASP D 72 16.798 4.707 11.691 1.00 24.27 O ATOM 0 H ASP D 72 20.568 6.065 9.003 1.00 18.10 H new ATOM 0 HA ASP D 72 19.423 6.943 11.437 1.00 20.67 H new ATOM 0 HB2 ASP D 72 18.397 5.921 9.225 1.00 22.01 H new ATOM 0 HB3 ASP D 72 18.651 4.386 10.030 1.00 22.01 H new ATOM 1920 N THR D 73 21.009 4.057 11.484 1.00 20.94 N ATOM 1921 CA THR D 73 21.573 3.043 12.366 1.00 21.42 C ATOM 1922 C THR D 73 22.448 3.685 13.439 1.00 23.00 C ATOM 1923 O THR D 73 22.340 3.357 14.619 1.00 24.80 O ATOM 1924 CB THR D 73 22.392 2.034 11.562 1.00 19.30 C ATOM 1925 OG1 THR D 73 21.645 1.544 10.462 1.00 19.92 O ATOM 1926 CG2 THR D 73 22.841 0.841 12.379 1.00 18.77 C ATOM 0 H THR D 73 21.256 3.945 10.501 1.00 20.94 H new ATOM 0 HA THR D 73 20.749 2.523 12.854 1.00 21.42 H new ATOM 0 HB THR D 73 23.275 2.579 11.229 1.00 19.30 H new ATOM 0 HG1 THR D 73 21.672 2.196 9.731 1.00 19.92 H new ATOM 0 HG21 THR D 73 23.417 0.164 11.748 1.00 18.77 H new ATOM 0 HG22 THR D 73 23.461 1.181 13.208 1.00 18.77 H new ATOM 0 HG23 THR D 73 21.968 0.318 12.769 1.00 18.77 H new ATOM 1934 N LEU D 74 23.313 4.602 13.017 1.00 22.39 N ATOM 1935 CA LEU D 74 24.206 5.293 13.943 1.00 23.89 C ATOM 1936 C LEU D 74 23.409 6.040 15.005 1.00 25.26 C ATOM 1937 O LEU D 74 23.734 5.984 16.192 1.00 26.85 O ATOM 1938 CB LEU D 74 25.108 6.268 13.184 1.00 23.68 C ATOM 1939 CG LEU D 74 26.249 5.618 12.399 1.00 22.05 C ATOM 1940 CD1 LEU D 74 27.180 6.680 11.836 1.00 22.53 C ATOM 1941 CD2 LEU D 74 27.017 4.647 13.283 1.00 22.14 C ATOM 0 H LEU D 74 23.415 4.884 12.042 1.00 22.39 H new ATOM 0 HA LEU D 74 24.828 4.546 14.437 1.00 23.89 H new ATOM 0 HB2 LEU D 74 24.493 6.844 12.492 1.00 23.68 H new ATOM 0 HB3 LEU D 74 25.534 6.975 13.896 1.00 23.68 H new ATOM 0 HG LEU D 74 25.822 5.060 11.566 1.00 22.05 H new ATOM 0 HD11 LEU D 74 27.986 6.200 11.281 1.00 22.53 H new ATOM 0 HD12 LEU D 74 26.621 7.337 11.170 1.00 22.53 H new ATOM 0 HD13 LEU D 74 27.601 7.265 12.654 1.00 22.53 H new ATOM 0 HD21 LEU D 74 27.825 4.193 12.709 1.00 22.14 H new ATOM 0 HD22 LEU D 74 27.434 5.183 14.136 1.00 22.14 H new ATOM 0 HD23 LEU D 74 26.343 3.868 13.639 1.00 22.14 H new ATOM 1953 N LYS D 75 22.362 6.738 14.574 1.00 24.77 N ATOM 1954 CA LYS D 75 21.519 7.493 15.495 1.00 26.05 C ATOM 1955 C LYS D 75 21.072 6.611 16.655 1.00 26.52 C ATOM 1956 O LYS D 75 21.083 7.034 17.811 1.00 27.36 O ATOM 1957 CB LYS D 75 20.299 8.057 14.764 1.00 25.66 C ATOM 1958 CG LYS D 75 19.714 9.292 15.426 1.00 25.36 C ATOM 1959 CD LYS D 75 18.883 10.109 14.449 1.00 24.71 C ATOM 1960 CE LYS D 75 17.925 11.039 15.176 1.00 26.55 C ATOM 1961 NZ LYS D 75 16.792 11.459 14.307 1.00 26.93 N ATOM 0 H LYS D 75 22.078 6.796 13.596 1.00 24.77 H new ATOM 0 HA LYS D 75 22.104 8.323 15.892 1.00 26.05 H new ATOM 0 HB2 LYS D 75 20.580 8.302 13.740 1.00 25.66 H new ATOM 0 HB3 LYS D 75 19.531 7.286 14.708 1.00 25.66 H new ATOM 0 HG2 LYS D 75 19.094 8.993 16.271 1.00 25.36 H new ATOM 0 HG3 LYS D 75 20.520 9.909 15.824 1.00 25.36 H new ATOM 0 HD2 LYS D 75 19.543 10.693 13.808 1.00 24.71 H new ATOM 0 HD3 LYS D 75 18.319 9.439 13.800 1.00 24.71 H new ATOM 0 HE2 LYS D 75 17.536 10.539 16.063 1.00 26.55 H new ATOM 0 HE3 LYS D 75 18.466 11.921 15.519 1.00 26.55 H new ATOM 0 HZ1 LYS D 75 16.162 12.092 14.840 1.00 26.93 H new ATOM 0 HZ2 LYS D 75 17.161 11.959 13.473 1.00 26.93 H new ATOM 0 HZ3 LYS D 75 16.260 10.620 14.000 1.00 26.93 H new ATOM 1975 N ASP D 76 20.687 5.382 16.336 1.00 26.03 N ATOM 1976 CA ASP D 76 20.244 4.433 17.347 1.00 26.50 C ATOM 1977 C ASP D 76 21.436 3.900 18.134 1.00 27.02 C ATOM 1978 O ASP D 76 21.328 3.603 19.324 1.00 28.00 O ATOM 1979 CB ASP D 76 19.485 3.275 16.695 1.00 25.31 C ATOM 1980 CG ASP D 76 18.575 3.740 15.575 1.00 25.68 C ATOM 1981 OD1 ASP D 76 18.301 4.956 15.499 1.00 26.17 O ATOM 1982 OD2 ASP D 76 18.137 2.888 14.774 1.00 25.67 O ATOM 0 H ASP D 76 20.673 5.019 15.383 1.00 26.03 H new ATOM 0 HA ASP D 76 19.573 4.949 18.034 1.00 26.50 H new ATOM 0 HB2 ASP D 76 20.199 2.551 16.303 1.00 25.31 H new ATOM 0 HB3 ASP D 76 18.892 2.761 17.451 1.00 25.31 H new ATOM 1987 N LEU D 77 22.575 3.786 17.458 1.00 26.41 N ATOM 1988 CA LEU D 77 23.796 3.295 18.086 1.00 26.85 C ATOM 1989 C LEU D 77 24.217 4.209 19.232 1.00 28.06 C ATOM 1990 O LEU D 77 24.570 3.742 20.315 1.00 28.90 O ATOM 1991 CB LEU D 77 24.918 3.202 17.051 1.00 26.41 C ATOM 1992 CG LEU D 77 24.967 1.891 16.267 1.00 26.36 C ATOM 1993 CD1 LEU D 77 25.915 2.012 15.082 1.00 23.96 C ATOM 1994 CD2 LEU D 77 25.387 0.744 17.173 1.00 27.67 C ATOM 0 H LEU D 77 22.677 4.028 16.472 1.00 26.41 H new ATOM 0 HA LEU D 77 23.600 2.302 18.490 1.00 26.85 H new ATOM 0 HB2 LEU D 77 24.810 4.026 16.346 1.00 26.41 H new ATOM 0 HB3 LEU D 77 25.873 3.340 17.559 1.00 26.41 H new ATOM 0 HG LEU D 77 23.968 1.680 15.886 1.00 26.36 H new ATOM 0 HD11 LEU D 77 25.937 1.069 14.536 1.00 23.96 H new ATOM 0 HD12 LEU D 77 25.571 2.807 14.420 1.00 23.96 H new ATOM 0 HD13 LEU D 77 26.917 2.247 15.440 1.00 23.96 H new ATOM 0 HD21 LEU D 77 25.417 -0.182 16.598 1.00 27.67 H new ATOM 0 HD22 LEU D 77 26.376 0.948 17.583 1.00 27.67 H new ATOM 0 HD23 LEU D 77 24.670 0.642 17.988 1.00 27.67 H new ATOM 2006 N TYR D 78 24.173 5.514 18.984 1.00 28.15 N ATOM 2007 CA TYR D 78 24.547 6.497 19.994 1.00 29.27 C ATOM 2008 C TYR D 78 23.408 6.713 20.985 1.00 32.30 C ATOM 2009 O TYR D 78 23.632 6.828 22.191 1.00 33.72 O ATOM 2010 CB TYR D 78 24.920 7.825 19.332 1.00 28.23 C ATOM 2011 CG TYR D 78 26.406 8.000 19.117 1.00 26.40 C ATOM 2012 CD1 TYR D 78 27.216 8.574 20.111 1.00 25.31 C ATOM 2013 CD2 TYR D 78 27.013 7.593 17.915 1.00 25.83 C ATOM 2014 CE1 TYR D 78 28.590 8.738 19.915 1.00 23.64 C ATOM 2015 CE2 TYR D 78 28.387 7.754 17.713 1.00 24.23 C ATOM 2016 CZ TYR D 78 29.170 8.327 18.715 1.00 23.10 C ATOM 2017 OH TYR D 78 30.522 8.486 18.518 1.00 21.54 O ATOM 0 H TYR D 78 23.882 5.915 18.092 1.00 28.15 H new ATOM 0 HA TYR D 78 25.412 6.115 20.536 1.00 29.27 H new ATOM 0 HB2 TYR D 78 24.412 7.897 18.370 1.00 28.23 H new ATOM 0 HB3 TYR D 78 24.552 8.645 19.949 1.00 28.23 H new ATOM 0 HD1 TYR D 78 26.770 8.894 21.041 1.00 25.31 H new ATOM 0 HD2 TYR D 78 26.409 7.150 17.137 1.00 25.83 H new ATOM 0 HE1 TYR D 78 29.200 9.181 20.689 1.00 23.64 H new ATOM 0 HE2 TYR D 78 28.840 7.436 16.786 1.00 24.23 H new ATOM 0 HH TYR D 78 30.807 7.944 17.753 1.00 21.54 H new ATOM 2027 N LYS D 79 22.184 6.763 20.468 1.00 33.40 N ATOM 2028 CA LYS D 79 21.007 6.962 21.306 1.00 36.29 C ATOM 2029 C LYS D 79 20.970 5.942 22.439 1.00 37.63 C ATOM 2030 O LYS D 79 20.424 6.208 23.509 1.00 39.15 O ATOM 2031 CB LYS D 79 19.733 6.854 20.464 1.00 37.28 C ATOM 2032 CG LYS D 79 18.455 6.891 21.286 1.00 38.90 C ATOM 2033 CD LYS D 79 17.221 6.886 20.397 1.00 40.88 C ATOM 2034 CE LYS D 79 16.815 8.296 20.001 1.00 41.86 C ATOM 2035 NZ LYS D 79 15.348 8.512 20.142 1.00 44.66 N ATOM 0 H LYS D 79 21.982 6.668 19.473 1.00 33.40 H new ATOM 0 HA LYS D 79 21.063 7.960 21.741 1.00 36.29 H new ATOM 0 HB2 LYS D 79 19.714 7.670 19.742 1.00 37.28 H new ATOM 0 HB3 LYS D 79 19.762 5.925 19.894 1.00 37.28 H new ATOM 0 HG2 LYS D 79 18.426 6.031 21.955 1.00 38.90 H new ATOM 0 HG3 LYS D 79 18.450 7.783 21.913 1.00 38.90 H new ATOM 0 HD2 LYS D 79 17.419 6.298 19.501 1.00 40.88 H new ATOM 0 HD3 LYS D 79 16.396 6.402 20.920 1.00 40.88 H new ATOM 0 HE2 LYS D 79 17.349 9.015 20.622 1.00 41.86 H new ATOM 0 HE3 LYS D 79 17.112 8.483 18.969 1.00 41.86 H new ATOM 0 HZ1 LYS D 79 15.112 9.485 19.862 1.00 44.66 H new ATOM 0 HZ2 LYS D 79 14.838 7.843 19.531 1.00 44.66 H new ATOM 0 HZ3 LYS D 79 15.068 8.359 21.132 1.00 44.66 H new