USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 693 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 59 ASN : amide:sc= -8.36! C(o=-12!,f=-20!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -122:sc= -3.39! (180deg=-4.17!) USER MOD Set 2.1: A 29 SER OG : rot -69:sc= 0.997 USER MOD Set 2.2: A 30 HIS :FLIP no HE2:sc= -2.23 F(o=-2.1,f=-1.2) USER MOD Set 3.1: A 13 LYS NZ :NH3+ -130:sc= -0.153 (180deg=-3.26) USER MOD Set 3.2: A 73 TYR OH : rot 82:sc= 0.706 USER MOD Set 4.1: A 2 GLN : amide:sc= 0.283 K(o=1.9,f=0.15!) USER MOD Set 4.2: A 66 LYS NZ :NH3+ 147:sc= 1.65 (180deg=-0.454) USER MOD Set 4.3: A 70 MET CE :methyl 163:sc= -0.0163 (180deg=-0.229) USER MOD Single : A 1 SER N :NH3+ -113:sc= -1.32! (180deg=-4.08!) USER MOD Single : A 1 SER OG : rot -109:sc= 0.0331 USER MOD Single : A 7 LYS NZ :NH3+ -110:sc= 1.07 (180deg=-0.011) USER MOD Single : A 14 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.7!) USER MOD Single : A 16 LYS NZ :NH3+ -141:sc= -0.0638 (180deg=-3.59!) USER MOD Single : A 17 THR OG1 : rot 96:sc= 0.711 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -167:sc= -0.688 (180deg=-1.25) USER MOD Single : A 28 TYR OH : rot -107:sc= 0.97 USER MOD Single : A 31 TYR OH : rot -26:sc= 0.907 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.67 K(o=-1.7,f=-12!) USER MOD Single : A 35 THR OG1 : rot -158:sc= -1.08 USER MOD Single : A 40 ASN : amide:sc= -2.99! C(o=-3!,f=-8!) USER MOD Single : A 41 THR OG1 : rot -131:sc= -0.572! USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= 1.34 (180deg=-0.293) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0.507 (180deg=0.381) USER MOD Single : A 54 LYS NZ :NH3+ -108:sc= 1.78 (180deg=-1.05) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 160:sc= -0.0546 USER MOD Single : A 71 LYS NZ :NH3+ -125:sc= -2.4! (180deg=-2.57!) USER MOD Single : A 76 LYS NZ :NH3+ 136:sc= -0.966 (180deg=-4.65!) USER MOD Single : A 81 LYS NZ :NH3+ 139:sc= 0.142 (180deg=-3.11!) USER MOD Single : A 82 LYS NZ :NH3+ -132:sc= 1.11 (180deg=-1.34!) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= 0.982 (180deg=0.675) USER MOD Single : A 84 TYR OH : rot 125:sc= 0.989 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.962 3.006 -8.954 1.00 6.32 N ATOM 2 CA SER A 1 9.549 2.887 -8.446 1.00 5.11 C ATOM 3 C SER A 1 9.299 4.064 -7.489 1.00 4.15 C ATOM 4 O SER A 1 10.197 4.866 -7.318 1.00 4.56 O ATOM 5 CB SER A 1 9.299 1.542 -7.723 1.00 4.90 C ATOM 6 OG SER A 1 7.924 1.627 -7.357 1.00 3.56 O ATOM 0 H1 SER A 1 10.948 3.217 -9.972 1.00 6.32 H new ATOM 0 H2 SER A 1 11.449 3.773 -8.448 1.00 6.32 H new ATOM 0 H3 SER A 1 11.465 2.110 -8.793 1.00 6.32 H new ATOM 0 HA SER A 1 8.860 2.915 -9.290 1.00 5.11 H new ATOM 0 HB2 SER A 1 9.491 0.691 -8.376 1.00 4.90 H new ATOM 0 HB3 SER A 1 9.943 1.427 -6.851 1.00 4.90 H new ATOM 0 HG SER A 1 7.850 1.739 -6.386 1.00 3.56 H new ATOM 14 N GLN A 2 8.142 4.155 -6.888 1.00 3.16 N ATOM 15 CA GLN A 2 7.883 5.301 -5.954 1.00 2.22 C ATOM 16 C GLN A 2 8.219 4.844 -4.521 1.00 1.77 C ATOM 17 O GLN A 2 7.895 3.761 -4.075 1.00 1.80 O ATOM 18 CB GLN A 2 6.415 5.737 -6.084 1.00 1.96 C ATOM 19 CG GLN A 2 6.294 7.281 -5.777 1.00 1.86 C ATOM 20 CD GLN A 2 4.884 7.751 -6.121 1.00 1.21 C ATOM 21 OE1 GLN A 2 4.244 7.217 -7.001 1.00 1.66 O ATOM 22 NE2 GLN A 2 4.309 8.739 -5.506 1.00 0.73 N ATOM 0 H GLN A 2 7.371 3.497 -6.998 1.00 3.16 H new ATOM 0 HA GLN A 2 8.507 6.160 -6.201 1.00 2.22 H new ATOM 0 HB2 GLN A 2 6.050 5.526 -7.089 1.00 1.96 H new ATOM 0 HB3 GLN A 2 5.793 5.168 -5.393 1.00 1.96 H new ATOM 0 HG2 GLN A 2 6.508 7.473 -4.726 1.00 1.86 H new ATOM 0 HG3 GLN A 2 7.028 7.838 -6.359 1.00 1.86 H new ATOM 0 HE21 GLN A 2 4.799 9.227 -4.756 1.00 0.73 H new ATOM 0 HE22 GLN A 2 3.367 9.027 -5.772 1.00 0.73 H new ATOM 31 N ALA A 3 8.876 5.742 -3.857 1.00 1.57 N ATOM 32 CA ALA A 3 9.336 5.564 -2.463 1.00 1.22 C ATOM 33 C ALA A 3 8.376 6.246 -1.494 1.00 0.77 C ATOM 34 O ALA A 3 7.177 6.274 -1.702 1.00 1.05 O ATOM 35 CB ALA A 3 10.636 6.348 -2.491 1.00 1.43 C ATOM 0 H ALA A 3 9.127 6.648 -4.253 1.00 1.57 H new ATOM 0 HA ALA A 3 9.417 4.523 -2.150 1.00 1.22 H new ATOM 0 HB1 ALA A 3 11.106 6.309 -1.508 1.00 1.43 H new ATOM 0 HB2 ALA A 3 11.307 5.913 -3.231 1.00 1.43 H new ATOM 0 HB3 ALA A 3 10.430 7.386 -2.754 1.00 1.43 H new ATOM 41 N GLU A 4 8.963 6.793 -0.461 1.00 0.43 N ATOM 42 CA GLU A 4 8.189 7.500 0.571 1.00 0.38 C ATOM 43 C GLU A 4 8.359 8.968 0.220 1.00 0.33 C ATOM 44 O GLU A 4 8.201 9.834 1.033 1.00 0.30 O ATOM 45 CB GLU A 4 8.809 7.211 1.933 1.00 0.55 C ATOM 46 CG GLU A 4 10.251 7.754 2.102 1.00 0.70 C ATOM 47 CD GLU A 4 10.798 7.360 3.482 1.00 1.69 C ATOM 48 OE1 GLU A 4 10.091 7.542 4.466 1.00 2.88 O ATOM 49 OE2 GLU A 4 11.915 6.891 3.463 1.00 1.59 O ATOM 0 H GLU A 4 9.969 6.772 -0.297 1.00 0.43 H new ATOM 0 HA GLU A 4 7.141 7.203 0.610 1.00 0.38 H new ATOM 0 HB2 GLU A 4 8.176 7.645 2.707 1.00 0.55 H new ATOM 0 HB3 GLU A 4 8.817 6.133 2.095 1.00 0.55 H new ATOM 0 HG2 GLU A 4 10.894 7.354 1.318 1.00 0.70 H new ATOM 0 HG3 GLU A 4 10.256 8.839 1.995 1.00 0.70 H new ATOM 56 N PHE A 5 8.700 9.235 -1.000 1.00 0.37 N ATOM 57 CA PHE A 5 8.895 10.631 -1.470 1.00 0.41 C ATOM 58 C PHE A 5 7.806 11.566 -0.959 1.00 0.42 C ATOM 59 O PHE A 5 8.057 12.600 -0.387 1.00 0.44 O ATOM 60 CB PHE A 5 8.774 10.500 -2.974 1.00 0.33 C ATOM 61 CG PHE A 5 8.404 11.806 -3.683 1.00 0.23 C ATOM 62 CD1 PHE A 5 9.342 12.730 -4.000 1.00 0.96 C ATOM 63 CD2 PHE A 5 7.106 12.054 -4.029 1.00 0.85 C ATOM 64 CE1 PHE A 5 9.037 13.893 -4.656 1.00 0.90 C ATOM 65 CE2 PHE A 5 6.751 13.206 -4.684 1.00 0.94 C ATOM 66 CZ PHE A 5 7.723 14.130 -5.002 1.00 0.18 C ATOM 0 H PHE A 5 8.857 8.525 -1.715 1.00 0.37 H new ATOM 0 HA PHE A 5 9.839 11.051 -1.122 1.00 0.41 H new ATOM 0 HB2 PHE A 5 9.720 10.136 -3.374 1.00 0.33 H new ATOM 0 HB3 PHE A 5 8.020 9.747 -3.204 1.00 0.33 H new ATOM 0 HD1 PHE A 5 10.369 12.543 -3.725 1.00 0.96 H new ATOM 0 HD2 PHE A 5 6.344 11.329 -3.782 1.00 0.85 H new ATOM 0 HE1 PHE A 5 9.809 14.609 -4.897 1.00 0.90 H new ATOM 0 HE2 PHE A 5 5.720 13.387 -4.948 1.00 0.94 H new ATOM 0 HZ PHE A 5 7.456 15.038 -5.521 1.00 0.18 H new ATOM 76 N ASP A 6 6.606 11.127 -1.188 1.00 0.42 N ATOM 77 CA ASP A 6 5.404 11.889 -0.778 1.00 0.41 C ATOM 78 C ASP A 6 5.313 12.011 0.730 1.00 0.32 C ATOM 79 O ASP A 6 4.706 12.894 1.295 1.00 0.38 O ATOM 80 CB ASP A 6 4.256 11.191 -1.409 1.00 0.54 C ATOM 81 CG ASP A 6 4.046 11.720 -2.813 1.00 0.56 C ATOM 82 OD1 ASP A 6 3.798 12.915 -2.886 1.00 0.83 O ATOM 83 OD2 ASP A 6 4.170 10.896 -3.703 1.00 1.89 O ATOM 0 H ASP A 6 6.404 10.244 -1.657 1.00 0.42 H new ATOM 0 HA ASP A 6 5.429 12.926 -1.114 1.00 0.41 H new ATOM 0 HB2 ASP A 6 4.442 10.117 -1.439 1.00 0.54 H new ATOM 0 HB3 ASP A 6 3.355 11.342 -0.815 1.00 0.54 H new ATOM 88 N LYS A 7 5.976 11.074 1.331 1.00 0.32 N ATOM 89 CA LYS A 7 6.027 11.001 2.807 1.00 0.32 C ATOM 90 C LYS A 7 7.127 11.968 3.260 1.00 0.46 C ATOM 91 O LYS A 7 7.058 12.631 4.274 1.00 0.68 O ATOM 92 CB LYS A 7 6.439 9.619 3.167 1.00 0.41 C ATOM 93 CG LYS A 7 6.084 9.307 4.614 1.00 0.54 C ATOM 94 CD LYS A 7 7.148 8.301 5.020 1.00 1.66 C ATOM 95 CE LYS A 7 6.955 7.701 6.357 1.00 2.22 C ATOM 96 NZ LYS A 7 8.204 6.902 6.516 1.00 3.80 N ATOM 0 H LYS A 7 6.496 10.340 0.850 1.00 0.32 H new ATOM 0 HA LYS A 7 5.070 11.250 3.266 1.00 0.32 H new ATOM 0 HB2 LYS A 7 5.948 8.905 2.506 1.00 0.41 H new ATOM 0 HB3 LYS A 7 7.513 9.505 3.019 1.00 0.41 H new ATOM 0 HG2 LYS A 7 6.114 10.200 5.238 1.00 0.54 H new ATOM 0 HG3 LYS A 7 5.081 8.890 4.702 1.00 0.54 H new ATOM 0 HD2 LYS A 7 7.174 7.502 4.279 1.00 1.66 H new ATOM 0 HD3 LYS A 7 8.121 8.792 4.994 1.00 1.66 H new ATOM 0 HE2 LYS A 7 6.852 8.458 7.134 1.00 2.22 H new ATOM 0 HE3 LYS A 7 6.062 7.077 6.400 1.00 2.22 H new ATOM 0 HZ1 LYS A 7 7.976 5.888 6.469 1.00 3.80 H new ATOM 0 HZ2 LYS A 7 8.869 7.143 5.754 1.00 3.80 H new ATOM 0 HZ3 LYS A 7 8.639 7.117 7.436 1.00 3.80 H new ATOM 110 N ALA A 8 8.149 12.008 2.458 1.00 0.37 N ATOM 111 CA ALA A 8 9.291 12.904 2.752 1.00 0.52 C ATOM 112 C ALA A 8 8.596 14.269 2.689 1.00 0.52 C ATOM 113 O ALA A 8 8.659 15.065 3.604 1.00 0.54 O ATOM 114 CB ALA A 8 10.360 12.621 1.716 1.00 0.56 C ATOM 0 H ALA A 8 8.241 11.454 1.606 1.00 0.37 H new ATOM 0 HA ALA A 8 9.823 12.803 3.698 1.00 0.52 H new ATOM 0 HB1 ALA A 8 11.222 13.263 1.898 1.00 0.56 H new ATOM 0 HB2 ALA A 8 10.665 11.577 1.784 1.00 0.56 H new ATOM 0 HB3 ALA A 8 9.963 12.820 0.720 1.00 0.56 H new ATOM 120 N ALA A 9 7.935 14.475 1.585 1.00 0.49 N ATOM 121 CA ALA A 9 7.169 15.709 1.303 1.00 0.50 C ATOM 122 C ALA A 9 6.240 15.989 2.492 1.00 0.55 C ATOM 123 O ALA A 9 6.277 17.077 3.027 1.00 0.55 O ATOM 124 CB ALA A 9 6.310 15.409 0.054 1.00 0.49 C ATOM 0 H ALA A 9 7.897 13.793 0.827 1.00 0.49 H new ATOM 0 HA ALA A 9 7.822 16.567 1.144 1.00 0.50 H new ATOM 0 HB1 ALA A 9 5.720 16.289 -0.202 1.00 0.49 H new ATOM 0 HB2 ALA A 9 6.961 15.153 -0.782 1.00 0.49 H new ATOM 0 HB3 ALA A 9 5.642 14.573 0.264 1.00 0.49 H new ATOM 130 N GLU A 10 5.466 14.994 2.834 1.00 0.59 N ATOM 131 CA GLU A 10 4.483 15.030 3.954 1.00 0.70 C ATOM 132 C GLU A 10 5.111 15.617 5.206 1.00 0.59 C ATOM 133 O GLU A 10 4.575 16.516 5.826 1.00 0.60 O ATOM 134 CB GLU A 10 4.085 13.552 4.162 1.00 0.87 C ATOM 135 CG GLU A 10 3.205 13.272 5.396 1.00 1.33 C ATOM 136 CD GLU A 10 2.976 11.751 5.499 1.00 1.81 C ATOM 137 OE1 GLU A 10 3.865 11.075 5.994 1.00 2.73 O ATOM 138 OE2 GLU A 10 1.910 11.358 5.064 1.00 1.67 O ATOM 0 H GLU A 10 5.480 14.099 2.346 1.00 0.59 H new ATOM 0 HA GLU A 10 3.620 15.659 3.734 1.00 0.70 H new ATOM 0 HB2 GLU A 10 3.556 13.207 3.274 1.00 0.87 H new ATOM 0 HB3 GLU A 10 4.994 12.956 4.242 1.00 0.87 H new ATOM 0 HG2 GLU A 10 3.689 13.644 6.299 1.00 1.33 H new ATOM 0 HG3 GLU A 10 2.252 13.793 5.308 1.00 1.33 H new ATOM 145 N GLU A 11 6.252 15.086 5.524 1.00 0.51 N ATOM 146 CA GLU A 11 7.005 15.523 6.719 1.00 0.41 C ATOM 147 C GLU A 11 7.619 16.884 6.645 1.00 0.40 C ATOM 148 O GLU A 11 7.421 17.759 7.465 1.00 0.42 O ATOM 149 CB GLU A 11 8.176 14.576 6.853 1.00 0.30 C ATOM 150 CG GLU A 11 8.003 13.453 7.888 1.00 0.71 C ATOM 151 CD GLU A 11 9.396 12.917 8.235 1.00 1.09 C ATOM 152 OE1 GLU A 11 10.255 13.748 8.471 1.00 2.10 O ATOM 153 OE2 GLU A 11 9.589 11.718 8.273 1.00 1.08 O ATOM 0 H GLU A 11 6.705 14.346 4.988 1.00 0.51 H new ATOM 0 HA GLU A 11 6.286 15.535 7.538 1.00 0.41 H new ATOM 0 HB2 GLU A 11 8.368 14.123 5.880 1.00 0.30 H new ATOM 0 HB3 GLU A 11 9.061 15.155 7.116 1.00 0.30 H new ATOM 0 HG2 GLU A 11 7.505 13.830 8.781 1.00 0.71 H new ATOM 0 HG3 GLU A 11 7.376 12.657 7.486 1.00 0.71 H new ATOM 160 N VAL A 12 8.375 17.043 5.614 1.00 0.39 N ATOM 161 CA VAL A 12 9.072 18.311 5.393 1.00 0.39 C ATOM 162 C VAL A 12 8.167 19.549 5.563 1.00 0.39 C ATOM 163 O VAL A 12 8.564 20.527 6.160 1.00 0.38 O ATOM 164 CB VAL A 12 9.759 18.146 4.027 1.00 0.35 C ATOM 165 CG1 VAL A 12 9.035 18.849 2.941 1.00 0.34 C ATOM 166 CG2 VAL A 12 11.246 18.458 4.069 1.00 0.40 C ATOM 0 H VAL A 12 8.540 16.331 4.903 1.00 0.39 H new ATOM 0 HA VAL A 12 9.822 18.519 6.156 1.00 0.39 H new ATOM 0 HB VAL A 12 9.701 17.086 3.780 1.00 0.35 H new ATOM 0 HG11 VAL A 12 9.561 18.701 1.998 1.00 0.34 H new ATOM 0 HG12 VAL A 12 8.024 18.449 2.859 1.00 0.34 H new ATOM 0 HG13 VAL A 12 8.987 19.914 3.166 1.00 0.34 H new ATOM 0 HG21 VAL A 12 11.674 18.323 3.076 1.00 0.40 H new ATOM 0 HG22 VAL A 12 11.392 19.489 4.391 1.00 0.40 H new ATOM 0 HG23 VAL A 12 11.739 17.785 4.771 1.00 0.40 H new ATOM 176 N LYS A 13 6.974 19.484 5.024 1.00 0.40 N ATOM 177 CA LYS A 13 6.019 20.640 5.147 1.00 0.40 C ATOM 178 C LYS A 13 5.520 20.953 6.606 1.00 0.47 C ATOM 179 O LYS A 13 4.795 21.907 6.810 1.00 0.50 O ATOM 180 CB LYS A 13 4.736 20.416 4.270 1.00 0.35 C ATOM 181 CG LYS A 13 4.989 19.896 2.824 1.00 0.38 C ATOM 182 CD LYS A 13 6.196 20.590 2.112 1.00 2.17 C ATOM 183 CE LYS A 13 6.364 20.091 0.651 1.00 2.81 C ATOM 184 NZ LYS A 13 6.419 18.585 0.635 1.00 3.01 N ATOM 0 H LYS A 13 6.616 18.683 4.504 1.00 0.40 H new ATOM 0 HA LYS A 13 6.613 21.487 4.805 1.00 0.40 H new ATOM 0 HB2 LYS A 13 4.087 19.707 4.783 1.00 0.35 H new ATOM 0 HB3 LYS A 13 4.192 21.358 4.208 1.00 0.35 H new ATOM 0 HG2 LYS A 13 5.168 18.821 2.859 1.00 0.38 H new ATOM 0 HG3 LYS A 13 4.089 20.050 2.229 1.00 0.38 H new ATOM 0 HD2 LYS A 13 6.047 21.670 2.113 1.00 2.17 H new ATOM 0 HD3 LYS A 13 7.111 20.393 2.671 1.00 2.17 H new ATOM 0 HE2 LYS A 13 5.533 20.441 0.038 1.00 2.81 H new ATOM 0 HE3 LYS A 13 7.275 20.503 0.218 1.00 2.81 H new ATOM 0 HZ1 LYS A 13 7.242 18.274 0.081 1.00 3.01 H new ATOM 0 HZ2 LYS A 13 6.502 18.230 1.609 1.00 3.01 H new ATOM 0 HZ3 LYS A 13 5.550 18.210 0.203 1.00 3.01 H new ATOM 198 N HIS A 14 5.908 20.143 7.557 1.00 0.48 N ATOM 199 CA HIS A 14 5.503 20.330 8.989 1.00 0.51 C ATOM 200 C HIS A 14 6.616 20.675 9.948 1.00 0.59 C ATOM 201 O HIS A 14 6.369 21.324 10.945 1.00 0.69 O ATOM 202 CB HIS A 14 5.068 18.957 9.549 1.00 0.50 C ATOM 203 CG HIS A 14 3.731 18.570 8.933 1.00 0.77 C ATOM 204 ND1 HIS A 14 3.568 17.833 7.888 1.00 1.10 N ATOM 205 CD2 HIS A 14 2.449 18.907 9.320 1.00 1.25 C ATOM 206 CE1 HIS A 14 2.300 17.715 7.636 1.00 1.77 C ATOM 207 NE2 HIS A 14 1.568 18.366 8.503 1.00 1.89 N ATOM 0 H HIS A 14 6.508 19.333 7.398 1.00 0.48 H new ATOM 0 HA HIS A 14 4.763 21.129 8.945 1.00 0.51 H new ATOM 0 HB2 HIS A 14 5.820 18.202 9.320 1.00 0.50 H new ATOM 0 HB3 HIS A 14 4.983 19.003 10.635 1.00 0.50 H new ATOM 0 HD1 HIS A 14 4.319 17.408 7.344 1.00 1.10 H new ATOM 0 HD2 HIS A 14 2.204 19.526 10.171 1.00 1.25 H new ATOM 0 HE1 HIS A 14 1.898 17.148 6.810 1.00 1.77 H new ATOM 215 N LEU A 15 7.784 20.209 9.600 1.00 0.54 N ATOM 216 CA LEU A 15 8.980 20.428 10.425 1.00 0.58 C ATOM 217 C LEU A 15 8.950 21.509 11.503 1.00 0.70 C ATOM 218 O LEU A 15 8.607 22.652 11.293 1.00 0.80 O ATOM 219 CB LEU A 15 10.148 20.588 9.500 1.00 0.59 C ATOM 220 CG LEU A 15 10.284 19.327 8.628 1.00 0.63 C ATOM 221 CD1 LEU A 15 11.385 19.604 7.697 1.00 0.60 C ATOM 222 CD2 LEU A 15 10.629 18.072 9.413 1.00 0.66 C ATOM 0 H LEU A 15 7.952 19.671 8.750 1.00 0.54 H new ATOM 0 HA LEU A 15 9.052 19.541 11.055 1.00 0.58 H new ATOM 0 HB2 LEU A 15 10.010 21.466 8.870 1.00 0.59 H new ATOM 0 HB3 LEU A 15 11.061 20.748 10.073 1.00 0.59 H new ATOM 0 HG LEU A 15 9.327 19.131 8.145 1.00 0.63 H new ATOM 0 HD11 LEU A 15 11.535 18.744 7.045 1.00 0.60 H new ATOM 0 HD12 LEU A 15 11.140 20.478 7.094 1.00 0.60 H new ATOM 0 HD13 LEU A 15 12.298 19.796 8.260 1.00 0.60 H new ATOM 0 HD21 LEU A 15 10.708 17.226 8.730 1.00 0.66 H new ATOM 0 HD22 LEU A 15 11.580 18.214 9.926 1.00 0.66 H new ATOM 0 HD23 LEU A 15 9.847 17.875 10.146 1.00 0.66 H new ATOM 234 N LYS A 16 9.316 21.025 12.657 1.00 0.73 N ATOM 235 CA LYS A 16 9.415 21.818 13.936 1.00 0.86 C ATOM 236 C LYS A 16 9.701 23.298 13.638 1.00 0.79 C ATOM 237 O LYS A 16 9.170 24.217 14.230 1.00 0.92 O ATOM 238 CB LYS A 16 10.581 21.196 14.760 1.00 0.79 C ATOM 239 CG LYS A 16 10.191 19.851 15.432 1.00 1.92 C ATOM 240 CD LYS A 16 9.199 20.128 16.614 1.00 1.88 C ATOM 241 CE LYS A 16 9.189 18.981 17.658 1.00 2.57 C ATOM 242 NZ LYS A 16 8.792 17.717 16.984 1.00 2.95 N ATOM 0 H LYS A 16 9.569 20.045 12.779 1.00 0.73 H new ATOM 0 HA LYS A 16 8.477 21.777 14.490 1.00 0.86 H new ATOM 0 HB2 LYS A 16 11.437 21.035 14.105 1.00 0.79 H new ATOM 0 HB3 LYS A 16 10.895 21.903 15.528 1.00 0.79 H new ATOM 0 HG2 LYS A 16 9.728 19.188 14.702 1.00 1.92 H new ATOM 0 HG3 LYS A 16 11.083 19.345 15.802 1.00 1.92 H new ATOM 0 HD2 LYS A 16 9.475 21.061 17.106 1.00 1.88 H new ATOM 0 HD3 LYS A 16 8.193 20.263 16.217 1.00 1.88 H new ATOM 0 HE2 LYS A 16 10.176 18.874 18.109 1.00 2.57 H new ATOM 0 HE3 LYS A 16 8.493 19.212 18.465 1.00 2.57 H new ATOM 0 HZ1 LYS A 16 8.172 17.168 17.613 1.00 2.95 H new ATOM 0 HZ2 LYS A 16 8.284 17.938 16.104 1.00 2.95 H new ATOM 0 HZ3 LYS A 16 9.642 17.160 16.763 1.00 2.95 H new ATOM 256 N THR A 17 10.571 23.426 12.685 1.00 0.66 N ATOM 257 CA THR A 17 11.026 24.758 12.193 1.00 0.72 C ATOM 258 C THR A 17 10.551 24.856 10.742 1.00 0.91 C ATOM 259 O THR A 17 10.444 23.865 10.047 1.00 0.83 O ATOM 260 CB THR A 17 12.526 24.735 12.014 1.00 0.56 C ATOM 261 OG1 THR A 17 13.054 24.167 13.204 1.00 0.30 O ATOM 262 CG2 THR A 17 13.173 26.117 11.994 1.00 0.80 C ATOM 0 H THR A 17 11.004 22.636 12.207 1.00 0.66 H new ATOM 0 HA THR A 17 10.678 25.536 12.872 1.00 0.72 H new ATOM 0 HB THR A 17 12.722 24.217 11.075 1.00 0.56 H new ATOM 0 HG1 THR A 17 13.207 23.208 13.069 1.00 0.30 H new ATOM 0 HG21 THR A 17 14.250 26.013 11.862 1.00 0.80 H new ATOM 0 HG22 THR A 17 12.761 26.700 11.170 1.00 0.80 H new ATOM 0 HG23 THR A 17 12.971 26.627 12.936 1.00 0.80 H new ATOM 270 N LYS A 18 10.319 26.047 10.300 1.00 1.32 N ATOM 271 CA LYS A 18 9.850 26.215 8.888 1.00 1.55 C ATOM 272 C LYS A 18 11.106 26.142 8.006 1.00 1.47 C ATOM 273 O LYS A 18 11.922 27.037 8.113 1.00 1.50 O ATOM 274 CB LYS A 18 9.172 27.621 8.734 1.00 1.75 C ATOM 275 CG LYS A 18 9.032 27.980 7.216 1.00 1.74 C ATOM 276 CD LYS A 18 8.427 29.396 7.057 1.00 1.95 C ATOM 277 CE LYS A 18 8.549 29.853 5.589 1.00 2.91 C ATOM 278 NZ LYS A 18 7.838 31.172 5.468 1.00 4.00 N ATOM 0 H LYS A 18 10.428 26.908 10.836 1.00 1.32 H new ATOM 0 HA LYS A 18 9.125 25.451 8.607 1.00 1.55 H new ATOM 0 HB2 LYS A 18 8.190 27.615 9.208 1.00 1.75 H new ATOM 0 HB3 LYS A 18 9.767 28.379 9.243 1.00 1.75 H new ATOM 0 HG2 LYS A 18 10.008 27.937 6.733 1.00 1.74 H new ATOM 0 HG3 LYS A 18 8.397 27.247 6.718 1.00 1.74 H new ATOM 0 HD2 LYS A 18 7.380 29.391 7.360 1.00 1.95 H new ATOM 0 HD3 LYS A 18 8.944 30.098 7.711 1.00 1.95 H new ATOM 0 HE2 LYS A 18 9.596 29.954 5.304 1.00 2.91 H new ATOM 0 HE3 LYS A 18 8.106 29.116 4.919 1.00 2.91 H new ATOM 0 HZ1 LYS A 18 7.900 31.511 4.487 1.00 4.00 H new ATOM 0 HZ2 LYS A 18 6.839 31.053 5.730 1.00 4.00 H new ATOM 0 HZ3 LYS A 18 8.282 31.865 6.103 1.00 4.00 H new ATOM 292 N PRO A 19 11.277 25.138 7.170 1.00 1.34 N ATOM 293 CA PRO A 19 12.492 25.083 6.316 1.00 1.23 C ATOM 294 C PRO A 19 12.765 26.399 5.575 1.00 1.39 C ATOM 295 O PRO A 19 11.854 27.087 5.141 1.00 1.51 O ATOM 296 CB PRO A 19 12.203 23.964 5.340 1.00 1.05 C ATOM 297 CG PRO A 19 11.366 23.000 6.223 1.00 1.03 C ATOM 298 CD PRO A 19 10.390 23.961 6.949 1.00 1.29 C ATOM 0 HA PRO A 19 13.388 24.916 6.913 1.00 1.23 H new ATOM 0 HB2 PRO A 19 11.647 24.311 4.469 1.00 1.05 H new ATOM 0 HB3 PRO A 19 13.115 23.495 4.970 1.00 1.05 H new ATOM 0 HG2 PRO A 19 10.835 22.261 5.624 1.00 1.03 H new ATOM 0 HG3 PRO A 19 11.991 22.450 6.927 1.00 1.03 H new ATOM 0 HD2 PRO A 19 9.521 24.207 6.339 1.00 1.29 H new ATOM 0 HD3 PRO A 19 10.016 23.543 7.884 1.00 1.29 H new ATOM 306 N ALA A 20 14.025 26.715 5.432 1.00 1.40 N ATOM 307 CA ALA A 20 14.397 27.974 4.724 1.00 1.54 C ATOM 308 C ALA A 20 14.096 27.804 3.243 1.00 1.36 C ATOM 309 O ALA A 20 13.975 26.706 2.733 1.00 1.21 O ATOM 310 CB ALA A 20 15.923 28.216 4.880 1.00 1.63 C ATOM 0 H ALA A 20 14.809 26.159 5.773 1.00 1.40 H new ATOM 0 HA ALA A 20 13.837 28.811 5.141 1.00 1.54 H new ATOM 0 HB1 ALA A 20 16.200 29.135 4.364 1.00 1.63 H new ATOM 0 HB2 ALA A 20 16.171 28.304 5.938 1.00 1.63 H new ATOM 0 HB3 ALA A 20 16.470 27.378 4.448 1.00 1.63 H new ATOM 316 N ASP A 21 13.988 28.924 2.596 1.00 1.38 N ATOM 317 CA ASP A 21 13.698 28.925 1.146 1.00 1.22 C ATOM 318 C ASP A 21 14.681 28.001 0.398 1.00 0.97 C ATOM 319 O ASP A 21 14.242 27.027 -0.173 1.00 0.69 O ATOM 320 CB ASP A 21 13.679 30.391 0.765 1.00 1.53 C ATOM 321 CG ASP A 21 13.169 30.572 -0.644 1.00 1.38 C ATOM 322 OD1 ASP A 21 13.910 30.257 -1.560 1.00 1.49 O ATOM 323 OD2 ASP A 21 12.045 31.037 -0.696 1.00 2.17 O ATOM 0 H ASP A 21 14.090 29.848 3.016 1.00 1.38 H new ATOM 0 HA ASP A 21 12.738 28.495 0.860 1.00 1.22 H new ATOM 0 HB2 ASP A 21 13.046 30.944 1.459 1.00 1.53 H new ATOM 0 HB3 ASP A 21 14.683 30.806 0.849 1.00 1.53 H new ATOM 328 N GLU A 22 15.955 28.281 0.396 1.00 1.12 N ATOM 329 CA GLU A 22 16.926 27.389 -0.319 1.00 1.05 C ATOM 330 C GLU A 22 16.680 25.900 0.050 1.00 0.87 C ATOM 331 O GLU A 22 16.816 25.037 -0.793 1.00 0.73 O ATOM 332 CB GLU A 22 18.396 27.844 -0.015 1.00 1.29 C ATOM 333 CG GLU A 22 18.731 29.272 -0.626 1.00 1.64 C ATOM 334 CD GLU A 22 18.327 30.462 0.261 1.00 3.21 C ATOM 335 OE1 GLU A 22 17.134 30.673 0.393 1.00 4.17 O ATOM 336 OE2 GLU A 22 19.224 31.112 0.763 1.00 3.64 O ATOM 0 H GLU A 22 16.371 29.089 0.858 1.00 1.12 H new ATOM 0 HA GLU A 22 16.770 27.476 -1.394 1.00 1.05 H new ATOM 0 HB2 GLU A 22 18.549 27.869 1.064 1.00 1.29 H new ATOM 0 HB3 GLU A 22 19.091 27.108 -0.418 1.00 1.29 H new ATOM 0 HG2 GLU A 22 19.802 29.327 -0.819 1.00 1.64 H new ATOM 0 HG3 GLU A 22 18.229 29.367 -1.589 1.00 1.64 H new ATOM 343 N GLU A 23 16.323 25.575 1.266 1.00 1.00 N ATOM 344 CA GLU A 23 16.083 24.143 1.600 1.00 0.78 C ATOM 345 C GLU A 23 14.759 23.722 0.883 1.00 0.55 C ATOM 346 O GLU A 23 14.716 22.696 0.216 1.00 0.39 O ATOM 347 CB GLU A 23 16.090 24.025 3.144 1.00 0.79 C ATOM 348 CG GLU A 23 17.568 23.781 3.710 1.00 0.82 C ATOM 349 CD GLU A 23 18.338 25.068 4.064 1.00 1.35 C ATOM 350 OE1 GLU A 23 18.548 25.893 3.201 1.00 2.29 O ATOM 351 OE2 GLU A 23 18.689 25.148 5.234 1.00 1.64 O ATOM 0 H GLU A 23 16.189 26.233 2.034 1.00 1.00 H new ATOM 0 HA GLU A 23 16.848 23.452 1.247 1.00 0.78 H new ATOM 0 HB2 GLU A 23 15.678 24.935 3.581 1.00 0.79 H new ATOM 0 HB3 GLU A 23 15.442 23.203 3.450 1.00 0.79 H new ATOM 0 HG2 GLU A 23 17.504 23.155 4.600 1.00 0.82 H new ATOM 0 HG3 GLU A 23 18.140 23.223 2.968 1.00 0.82 H new ATOM 358 N MET A 24 13.724 24.513 1.045 1.00 0.60 N ATOM 359 CA MET A 24 12.388 24.256 0.405 1.00 0.51 C ATOM 360 C MET A 24 12.642 24.041 -1.095 1.00 0.33 C ATOM 361 O MET A 24 12.114 23.115 -1.671 1.00 0.25 O ATOM 362 CB MET A 24 11.449 25.474 0.610 1.00 0.67 C ATOM 363 CG MET A 24 10.956 25.559 2.069 1.00 1.02 C ATOM 364 SD MET A 24 9.548 26.654 2.386 1.00 1.20 S ATOM 365 CE MET A 24 10.421 28.213 2.103 1.00 1.37 C ATOM 0 H MET A 24 13.750 25.358 1.616 1.00 0.60 H new ATOM 0 HA MET A 24 11.909 23.385 0.852 1.00 0.51 H new ATOM 0 HB2 MET A 24 11.976 26.391 0.348 1.00 0.67 H new ATOM 0 HB3 MET A 24 10.594 25.394 -0.061 1.00 0.67 H new ATOM 0 HG2 MET A 24 10.687 24.555 2.397 1.00 1.02 H new ATOM 0 HG3 MET A 24 11.789 25.886 2.692 1.00 1.02 H new ATOM 0 HE1 MET A 24 9.812 29.042 2.465 1.00 1.37 H new ATOM 0 HE2 MET A 24 11.371 28.200 2.637 1.00 1.37 H new ATOM 0 HE3 MET A 24 10.606 28.338 1.036 1.00 1.37 H new ATOM 375 N LEU A 25 13.431 24.909 -1.668 1.00 0.37 N ATOM 376 CA LEU A 25 13.820 24.884 -3.090 1.00 0.22 C ATOM 377 C LEU A 25 14.122 23.486 -3.606 1.00 0.20 C ATOM 378 O LEU A 25 13.527 23.024 -4.556 1.00 0.17 O ATOM 379 CB LEU A 25 14.960 25.821 -3.157 1.00 0.35 C ATOM 380 CG LEU A 25 14.512 27.311 -3.122 1.00 0.32 C ATOM 381 CD1 LEU A 25 15.116 27.858 -4.307 1.00 0.22 C ATOM 382 CD2 LEU A 25 13.026 27.601 -3.205 1.00 0.34 C ATOM 0 H LEU A 25 13.846 25.688 -1.157 1.00 0.37 H new ATOM 0 HA LEU A 25 13.011 25.191 -3.753 1.00 0.22 H new ATOM 0 HB2 LEU A 25 15.634 25.628 -2.322 1.00 0.35 H new ATOM 0 HB3 LEU A 25 15.524 25.636 -4.071 1.00 0.35 H new ATOM 0 HG LEU A 25 14.804 27.724 -2.156 1.00 0.32 H new ATOM 0 HD11 LEU A 25 14.866 28.916 -4.388 1.00 0.22 H new ATOM 0 HD12 LEU A 25 16.199 27.745 -4.249 1.00 0.22 H new ATOM 0 HD13 LEU A 25 14.742 27.329 -5.183 1.00 0.22 H new ATOM 0 HD21 LEU A 25 12.863 28.678 -3.169 1.00 0.34 H new ATOM 0 HD22 LEU A 25 12.630 27.205 -4.140 1.00 0.34 H new ATOM 0 HD23 LEU A 25 12.516 27.129 -2.365 1.00 0.34 H new ATOM 394 N PHE A 26 15.053 22.855 -2.952 1.00 0.25 N ATOM 395 CA PHE A 26 15.449 21.460 -3.348 1.00 0.24 C ATOM 396 C PHE A 26 14.212 20.559 -3.433 1.00 0.18 C ATOM 397 O PHE A 26 13.858 20.037 -4.473 1.00 0.18 O ATOM 398 CB PHE A 26 16.393 20.858 -2.302 1.00 0.24 C ATOM 399 CG PHE A 26 16.718 19.459 -2.854 1.00 0.19 C ATOM 400 CD1 PHE A 26 17.680 19.248 -3.826 1.00 0.89 C ATOM 401 CD2 PHE A 26 15.972 18.395 -2.400 1.00 1.25 C ATOM 402 CE1 PHE A 26 17.886 17.982 -4.338 1.00 0.92 C ATOM 403 CE2 PHE A 26 16.173 17.133 -2.909 1.00 1.24 C ATOM 404 CZ PHE A 26 17.130 16.925 -3.877 1.00 0.25 C ATOM 0 H PHE A 26 15.564 23.239 -2.157 1.00 0.25 H new ATOM 0 HA PHE A 26 15.944 21.517 -4.318 1.00 0.24 H new ATOM 0 HB2 PHE A 26 17.294 21.460 -2.184 1.00 0.24 H new ATOM 0 HB3 PHE A 26 15.918 20.800 -1.322 1.00 0.24 H new ATOM 0 HD1 PHE A 26 18.272 20.077 -4.186 1.00 0.89 H new ATOM 0 HD2 PHE A 26 15.223 18.552 -1.638 1.00 1.25 H new ATOM 0 HE1 PHE A 26 18.637 17.820 -5.097 1.00 0.92 H new ATOM 0 HE2 PHE A 26 15.580 16.305 -2.549 1.00 1.24 H new ATOM 0 HZ PHE A 26 17.288 15.934 -4.275 1.00 0.25 H new ATOM 414 N ILE A 27 13.602 20.428 -2.296 1.00 0.19 N ATOM 415 CA ILE A 27 12.372 19.606 -2.128 1.00 0.18 C ATOM 416 C ILE A 27 11.410 19.977 -3.263 1.00 0.21 C ATOM 417 O ILE A 27 11.067 19.183 -4.100 1.00 0.23 O ATOM 418 CB ILE A 27 11.889 20.068 -0.734 1.00 0.20 C ATOM 419 CG1 ILE A 27 12.322 19.142 0.436 1.00 0.14 C ATOM 420 CG2 ILE A 27 10.342 20.240 -0.609 1.00 0.29 C ATOM 421 CD1 ILE A 27 13.725 18.478 0.322 1.00 0.15 C ATOM 0 H ILE A 27 13.918 20.876 -1.436 1.00 0.19 H new ATOM 0 HA ILE A 27 12.485 18.523 -2.176 1.00 0.18 H new ATOM 0 HB ILE A 27 12.382 21.036 -0.649 1.00 0.20 H new ATOM 0 HG12 ILE A 27 12.295 19.724 1.358 1.00 0.14 H new ATOM 0 HG13 ILE A 27 11.579 18.351 0.536 1.00 0.14 H new ATOM 0 HG21 ILE A 27 10.093 20.566 0.401 1.00 0.29 H new ATOM 0 HG22 ILE A 27 10.000 20.986 -1.326 1.00 0.29 H new ATOM 0 HG23 ILE A 27 9.852 19.288 -0.814 1.00 0.29 H new ATOM 0 HD11 ILE A 27 13.907 17.858 1.200 1.00 0.15 H new ATOM 0 HD12 ILE A 27 13.763 17.858 -0.574 1.00 0.15 H new ATOM 0 HD13 ILE A 27 14.490 19.252 0.260 1.00 0.15 H new ATOM 433 N TYR A 28 11.017 21.209 -3.231 1.00 0.22 N ATOM 434 CA TYR A 28 10.090 21.819 -4.204 1.00 0.19 C ATOM 435 C TYR A 28 10.387 21.508 -5.660 1.00 0.15 C ATOM 436 O TYR A 28 9.607 20.875 -6.327 1.00 0.19 O ATOM 437 CB TYR A 28 10.251 23.315 -3.957 1.00 0.23 C ATOM 438 CG TYR A 28 9.488 24.126 -4.994 1.00 0.18 C ATOM 439 CD1 TYR A 28 8.119 24.207 -4.882 1.00 1.06 C ATOM 440 CD2 TYR A 28 10.140 24.794 -6.020 1.00 1.12 C ATOM 441 CE1 TYR A 28 7.391 24.956 -5.783 1.00 1.01 C ATOM 442 CE2 TYR A 28 9.388 25.535 -6.913 1.00 1.19 C ATOM 443 CZ TYR A 28 8.019 25.620 -6.801 1.00 0.37 C ATOM 444 OH TYR A 28 7.264 26.352 -7.691 1.00 0.50 O ATOM 0 H TYR A 28 11.328 21.863 -2.513 1.00 0.22 H new ATOM 0 HA TYR A 28 9.084 21.426 -4.055 1.00 0.19 H new ATOM 0 HB2 TYR A 28 9.890 23.563 -2.959 1.00 0.23 H new ATOM 0 HB3 TYR A 28 11.308 23.580 -3.989 1.00 0.23 H new ATOM 0 HD1 TYR A 28 7.612 23.682 -4.086 1.00 1.06 H new ATOM 0 HD2 TYR A 28 11.214 24.736 -6.119 1.00 1.12 H new ATOM 0 HE1 TYR A 28 6.317 25.019 -5.684 1.00 1.01 H new ATOM 0 HE2 TYR A 28 9.886 26.058 -7.716 1.00 1.19 H new ATOM 0 HH TYR A 28 7.232 25.887 -8.553 1.00 0.50 H new ATOM 454 N SER A 29 11.522 21.975 -6.080 1.00 0.10 N ATOM 455 CA SER A 29 12.009 21.797 -7.464 1.00 0.08 C ATOM 456 C SER A 29 11.766 20.345 -7.917 1.00 0.05 C ATOM 457 O SER A 29 10.994 20.059 -8.819 1.00 0.09 O ATOM 458 CB SER A 29 13.503 22.220 -7.402 1.00 0.13 C ATOM 459 OG SER A 29 14.180 21.250 -6.616 1.00 0.15 O ATOM 0 H SER A 29 12.163 22.500 -5.485 1.00 0.10 H new ATOM 0 HA SER A 29 11.490 22.399 -8.210 1.00 0.08 H new ATOM 0 HB2 SER A 29 13.931 22.271 -8.403 1.00 0.13 H new ATOM 0 HB3 SER A 29 13.604 23.212 -6.961 1.00 0.13 H new ATOM 0 HG SER A 29 13.897 21.331 -5.681 1.00 0.15 H new ATOM 465 N HIS A 30 12.441 19.448 -7.248 1.00 0.14 N ATOM 466 CA HIS A 30 12.310 18.018 -7.567 1.00 0.19 C ATOM 467 C HIS A 30 10.874 17.548 -7.335 1.00 0.13 C ATOM 468 O HIS A 30 10.337 16.878 -8.186 1.00 0.15 O ATOM 469 CB HIS A 30 13.339 17.344 -6.689 1.00 0.33 C ATOM 470 CG HIS A 30 14.725 17.749 -7.186 1.00 0.30 C ATOM 471 ND1 HIS A 30 15.702 18.500 -6.562 1.00 1.27 N flip ATOM 472 CD2 HIS A 30 15.239 17.436 -8.330 1.00 1.16 C flip ATOM 473 CE1 HIS A 30 16.756 18.609 -7.342 1.00 0.83 C flip ATOM 474 NE2 HIS A 30 16.430 17.941 -8.421 1.00 0.90 N flip ATOM 0 H HIS A 30 13.084 19.660 -6.485 1.00 0.14 H new ATOM 0 HA HIS A 30 12.497 17.777 -8.613 1.00 0.19 H new ATOM 0 HB2 HIS A 30 13.206 17.642 -5.649 1.00 0.33 H new ATOM 0 HB3 HIS A 30 13.222 16.261 -6.728 1.00 0.33 H new ATOM 0 HD1 HIS A 30 15.619 18.910 -5.632 1.00 1.27 H new ATOM 0 HD2 HIS A 30 14.752 16.845 -9.092 1.00 1.16 H new ATOM 0 HE1 HIS A 30 17.680 19.130 -7.139 1.00 0.83 H new ATOM 482 N TYR A 31 10.283 17.904 -6.222 1.00 0.09 N ATOM 483 CA TYR A 31 8.873 17.489 -5.905 1.00 0.05 C ATOM 484 C TYR A 31 8.054 17.794 -7.129 1.00 0.06 C ATOM 485 O TYR A 31 7.606 16.920 -7.843 1.00 0.03 O ATOM 486 CB TYR A 31 8.165 18.329 -4.755 1.00 0.07 C ATOM 487 CG TYR A 31 6.872 17.601 -4.358 1.00 0.21 C ATOM 488 CD1 TYR A 31 6.859 16.457 -3.553 1.00 1.82 C ATOM 489 CD2 TYR A 31 5.678 18.100 -4.849 1.00 1.32 C ATOM 490 CE1 TYR A 31 5.660 15.832 -3.262 1.00 1.87 C ATOM 491 CE2 TYR A 31 4.481 17.463 -4.538 1.00 1.25 C ATOM 492 CZ TYR A 31 4.469 16.323 -3.741 1.00 0.35 C ATOM 493 OH TYR A 31 3.291 15.673 -3.421 1.00 0.42 O ATOM 0 H TYR A 31 10.724 18.477 -5.502 1.00 0.09 H new ATOM 0 HA TYR A 31 8.927 16.446 -5.593 1.00 0.05 H new ATOM 0 HB2 TYR A 31 8.826 18.427 -3.894 1.00 0.07 H new ATOM 0 HB3 TYR A 31 7.942 19.338 -5.103 1.00 0.07 H new ATOM 0 HD1 TYR A 31 7.784 16.062 -3.159 1.00 1.82 H new ATOM 0 HD2 TYR A 31 5.676 18.982 -5.472 1.00 1.32 H new ATOM 0 HE1 TYR A 31 5.660 14.943 -2.648 1.00 1.87 H new ATOM 0 HE2 TYR A 31 3.551 17.858 -4.919 1.00 1.25 H new ATOM 0 HH TYR A 31 3.477 14.728 -3.241 1.00 0.42 H new ATOM 503 N LYS A 32 7.902 19.073 -7.335 1.00 0.12 N ATOM 504 CA LYS A 32 7.139 19.608 -8.462 1.00 0.18 C ATOM 505 C LYS A 32 7.505 18.813 -9.712 1.00 0.19 C ATOM 506 O LYS A 32 6.606 18.371 -10.388 1.00 0.20 O ATOM 507 CB LYS A 32 7.370 21.079 -8.379 1.00 0.25 C ATOM 508 CG LYS A 32 6.939 21.687 -7.004 1.00 0.32 C ATOM 509 CD LYS A 32 5.477 21.396 -6.579 1.00 0.58 C ATOM 510 CE LYS A 32 4.743 22.672 -6.724 1.00 1.04 C ATOM 511 NZ LYS A 32 3.354 22.530 -6.196 1.00 1.49 N ATOM 0 H LYS A 32 8.301 19.790 -6.729 1.00 0.12 H new ATOM 0 HA LYS A 32 6.055 19.490 -8.470 1.00 0.18 H new ATOM 0 HB2 LYS A 32 8.427 21.286 -8.546 1.00 0.25 H new ATOM 0 HB3 LYS A 32 6.818 21.574 -9.178 1.00 0.25 H new ATOM 0 HG2 LYS A 32 7.607 21.306 -6.232 1.00 0.32 H new ATOM 0 HG3 LYS A 32 7.080 22.767 -7.043 1.00 0.32 H new ATOM 0 HD2 LYS A 32 5.037 20.620 -7.205 1.00 0.58 H new ATOM 0 HD3 LYS A 32 5.435 21.037 -5.551 1.00 0.58 H new ATOM 0 HE2 LYS A 32 5.265 23.464 -6.186 1.00 1.04 H new ATOM 0 HE3 LYS A 32 4.713 22.966 -7.773 1.00 1.04 H new ATOM 0 HZ1 LYS A 32 2.848 23.432 -6.303 1.00 1.49 H new ATOM 0 HZ2 LYS A 32 2.855 21.788 -6.727 1.00 1.49 H new ATOM 0 HZ3 LYS A 32 3.390 22.271 -5.190 1.00 1.49 H new ATOM 525 N GLN A 33 8.766 18.632 -10.009 1.00 0.19 N ATOM 526 CA GLN A 33 9.098 17.824 -11.241 1.00 0.23 C ATOM 527 C GLN A 33 8.482 16.431 -11.229 1.00 0.33 C ATOM 528 O GLN A 33 7.781 16.013 -12.124 1.00 0.43 O ATOM 529 CB GLN A 33 10.594 17.594 -11.275 1.00 0.19 C ATOM 530 CG GLN A 33 11.224 18.685 -12.063 1.00 0.30 C ATOM 531 CD GLN A 33 11.256 18.351 -13.539 1.00 0.14 C ATOM 532 OE1 GLN A 33 12.251 17.909 -14.065 1.00 0.40 O ATOM 533 NE2 GLN A 33 10.215 18.522 -14.280 1.00 0.35 N ATOM 0 H GLN A 33 9.561 18.990 -9.480 1.00 0.19 H new ATOM 0 HA GLN A 33 8.712 18.388 -12.091 1.00 0.23 H new ATOM 0 HB2 GLN A 33 10.997 17.577 -10.262 1.00 0.19 H new ATOM 0 HB3 GLN A 33 10.818 16.626 -11.723 1.00 0.19 H new ATOM 0 HG2 GLN A 33 10.672 19.612 -11.910 1.00 0.30 H new ATOM 0 HG3 GLN A 33 12.239 18.856 -11.705 1.00 0.30 H new ATOM 0 HE21 GLN A 33 9.356 18.893 -13.874 1.00 0.35 H new ATOM 0 HE22 GLN A 33 10.251 18.287 -15.272 1.00 0.35 H new ATOM 542 N ALA A 34 8.795 15.760 -10.170 1.00 0.29 N ATOM 543 CA ALA A 34 8.324 14.378 -9.930 1.00 0.39 C ATOM 544 C ALA A 34 6.801 14.182 -9.926 1.00 0.37 C ATOM 545 O ALA A 34 6.360 13.127 -10.338 1.00 0.36 O ATOM 546 CB ALA A 34 8.800 14.034 -8.511 1.00 0.36 C ATOM 0 H ALA A 34 9.386 16.130 -9.426 1.00 0.29 H new ATOM 0 HA ALA A 34 8.710 13.760 -10.741 1.00 0.39 H new ATOM 0 HB1 ALA A 34 8.488 13.021 -8.258 1.00 0.36 H new ATOM 0 HB2 ALA A 34 9.887 14.101 -8.466 1.00 0.36 H new ATOM 0 HB3 ALA A 34 8.363 14.736 -7.801 1.00 0.36 H new ATOM 552 N THR A 35 6.128 15.202 -9.453 1.00 0.33 N ATOM 553 CA THR A 35 4.618 15.292 -9.303 1.00 0.38 C ATOM 554 C THR A 35 3.721 16.111 -10.246 1.00 0.65 C ATOM 555 O THR A 35 2.726 15.643 -10.759 1.00 0.92 O ATOM 556 CB THR A 35 4.417 16.017 -7.953 1.00 0.25 C ATOM 557 OG1 THR A 35 5.110 17.259 -8.055 1.00 0.25 O ATOM 558 CG2 THR A 35 5.183 15.301 -6.884 1.00 0.02 C ATOM 0 H THR A 35 6.598 16.050 -9.136 1.00 0.33 H new ATOM 0 HA THR A 35 4.312 14.261 -9.480 1.00 0.38 H new ATOM 0 HB THR A 35 3.352 16.089 -7.735 1.00 0.25 H new ATOM 0 HG1 THR A 35 5.322 17.590 -7.157 1.00 0.25 H new ATOM 0 HG21 THR A 35 5.042 15.812 -5.931 1.00 0.02 H new ATOM 0 HG22 THR A 35 4.823 14.275 -6.803 1.00 0.02 H new ATOM 0 HG23 THR A 35 6.243 15.294 -7.138 1.00 0.02 H new ATOM 566 N VAL A 36 4.119 17.331 -10.414 1.00 0.60 N ATOM 567 CA VAL A 36 3.416 18.344 -11.287 1.00 0.88 C ATOM 568 C VAL A 36 3.891 18.190 -12.721 1.00 0.98 C ATOM 569 O VAL A 36 3.134 18.133 -13.673 1.00 1.31 O ATOM 570 CB VAL A 36 3.889 19.751 -10.792 1.00 0.83 C ATOM 571 CG1 VAL A 36 3.305 20.879 -11.609 1.00 1.09 C ATOM 572 CG2 VAL A 36 3.543 19.948 -9.356 1.00 0.82 C ATOM 0 H VAL A 36 4.953 17.704 -9.960 1.00 0.60 H new ATOM 0 HA VAL A 36 2.335 18.217 -11.237 1.00 0.88 H new ATOM 0 HB VAL A 36 4.972 19.775 -10.917 1.00 0.83 H new ATOM 0 HG11 VAL A 36 3.666 21.832 -11.223 1.00 1.09 H new ATOM 0 HG12 VAL A 36 3.610 20.770 -12.650 1.00 1.09 H new ATOM 0 HG13 VAL A 36 2.217 20.850 -11.545 1.00 1.09 H new ATOM 0 HG21 VAL A 36 3.881 20.932 -9.032 1.00 0.82 H new ATOM 0 HG22 VAL A 36 2.463 19.875 -9.229 1.00 0.82 H new ATOM 0 HG23 VAL A 36 4.032 19.181 -8.755 1.00 0.82 H new ATOM 582 N GLY A 37 5.191 18.143 -12.736 1.00 0.73 N ATOM 583 CA GLY A 37 6.020 17.991 -13.961 1.00 0.80 C ATOM 584 C GLY A 37 7.077 19.087 -14.175 1.00 0.46 C ATOM 585 O GLY A 37 7.694 19.695 -13.311 1.00 0.24 O ATOM 0 H GLY A 37 5.749 18.209 -11.885 1.00 0.73 H new ATOM 0 HA2 GLY A 37 6.524 17.025 -13.922 1.00 0.80 H new ATOM 0 HA3 GLY A 37 5.359 17.971 -14.828 1.00 0.80 H new ATOM 589 N ASP A 38 7.255 19.296 -15.435 1.00 0.43 N ATOM 590 CA ASP A 38 8.206 20.289 -15.975 1.00 0.16 C ATOM 591 C ASP A 38 7.662 21.703 -15.732 1.00 0.12 C ATOM 592 O ASP A 38 6.602 22.078 -16.203 1.00 0.40 O ATOM 593 CB ASP A 38 8.273 19.866 -17.443 1.00 0.28 C ATOM 594 CG ASP A 38 8.512 18.371 -17.439 1.00 1.17 C ATOM 595 OD1 ASP A 38 9.644 18.026 -17.122 1.00 0.92 O ATOM 596 OD2 ASP A 38 7.508 17.735 -17.722 1.00 2.47 O ATOM 0 H ASP A 38 6.747 18.786 -16.158 1.00 0.43 H new ATOM 0 HA ASP A 38 9.197 20.317 -15.522 1.00 0.16 H new ATOM 0 HB2 ASP A 38 7.346 20.111 -17.962 1.00 0.28 H new ATOM 0 HB3 ASP A 38 9.077 20.388 -17.963 1.00 0.28 H new ATOM 601 N ILE A 39 8.456 22.409 -14.956 1.00 0.14 N ATOM 602 CA ILE A 39 8.166 23.813 -14.556 1.00 0.31 C ATOM 603 C ILE A 39 7.131 24.489 -15.434 1.00 0.34 C ATOM 604 O ILE A 39 7.424 25.107 -16.433 1.00 0.41 O ATOM 605 CB ILE A 39 9.422 24.583 -14.180 1.00 0.43 C ATOM 606 CG1 ILE A 39 8.875 25.700 -13.266 1.00 0.48 C ATOM 607 CG2 ILE A 39 10.194 25.060 -15.423 1.00 0.42 C ATOM 608 CD1 ILE A 39 9.939 26.351 -12.496 1.00 0.45 C ATOM 0 H ILE A 39 9.328 22.046 -14.572 1.00 0.14 H new ATOM 0 HA ILE A 39 7.631 23.799 -13.606 1.00 0.31 H new ATOM 0 HB ILE A 39 10.180 23.994 -13.663 1.00 0.43 H new ATOM 0 HG12 ILE A 39 8.359 26.444 -13.873 1.00 0.48 H new ATOM 0 HG13 ILE A 39 8.138 25.280 -12.582 1.00 0.48 H new ATOM 0 HG21 ILE A 39 11.084 25.606 -15.111 1.00 0.42 H new ATOM 0 HG22 ILE A 39 10.488 24.198 -16.022 1.00 0.42 H new ATOM 0 HG23 ILE A 39 9.557 25.715 -16.018 1.00 0.42 H new ATOM 0 HD11 ILE A 39 9.508 27.130 -11.867 1.00 0.45 H new ATOM 0 HD12 ILE A 39 10.438 25.613 -11.869 1.00 0.45 H new ATOM 0 HD13 ILE A 39 10.663 26.795 -13.179 1.00 0.45 H new ATOM 620 N ASN A 40 5.925 24.311 -14.971 1.00 0.35 N ATOM 621 CA ASN A 40 4.706 24.873 -15.641 1.00 0.40 C ATOM 622 C ASN A 40 4.299 26.167 -14.926 1.00 0.77 C ATOM 623 O ASN A 40 3.242 26.734 -15.137 1.00 1.18 O ATOM 624 CB ASN A 40 3.589 23.792 -15.678 1.00 0.42 C ATOM 625 CG ASN A 40 3.824 22.768 -14.585 1.00 1.17 C ATOM 626 OD1 ASN A 40 3.727 23.029 -13.408 1.00 2.40 O ATOM 627 ND2 ASN A 40 4.154 21.572 -14.933 1.00 1.00 N ATOM 0 H ASN A 40 5.722 23.780 -14.124 1.00 0.35 H new ATOM 0 HA ASN A 40 4.906 25.137 -16.679 1.00 0.40 H new ATOM 0 HB2 ASN A 40 2.614 24.260 -15.546 1.00 0.42 H new ATOM 0 HB3 ASN A 40 3.578 23.302 -16.651 1.00 0.42 H new ATOM 0 HD21 ASN A 40 4.329 20.863 -14.220 1.00 1.00 H new ATOM 0 HD22 ASN A 40 4.241 21.334 -15.921 1.00 1.00 H new ATOM 634 N THR A 41 5.211 26.568 -14.087 1.00 0.76 N ATOM 635 CA THR A 41 5.106 27.796 -13.276 1.00 1.09 C ATOM 636 C THR A 41 6.010 28.704 -14.066 1.00 1.43 C ATOM 637 O THR A 41 7.013 28.271 -14.614 1.00 2.57 O ATOM 638 CB THR A 41 5.843 27.640 -11.928 1.00 1.24 C ATOM 639 OG1 THR A 41 6.441 26.360 -11.909 1.00 1.11 O ATOM 640 CG2 THR A 41 4.879 27.551 -10.830 1.00 1.38 C ATOM 0 H THR A 41 6.077 26.054 -13.928 1.00 0.76 H new ATOM 0 HA THR A 41 4.073 28.093 -13.095 1.00 1.09 H new ATOM 0 HB THR A 41 6.532 28.478 -11.822 1.00 1.24 H new ATOM 0 HG1 THR A 41 6.224 25.910 -11.066 1.00 1.11 H new ATOM 0 HG21 THR A 41 5.412 27.441 -9.886 1.00 1.38 H new ATOM 0 HG22 THR A 41 4.274 28.458 -10.802 1.00 1.38 H new ATOM 0 HG23 THR A 41 4.231 26.688 -10.983 1.00 1.38 H new ATOM 648 N GLU A 42 5.653 29.948 -14.093 1.00 0.93 N ATOM 649 CA GLU A 42 6.499 30.903 -14.859 1.00 1.12 C ATOM 650 C GLU A 42 7.562 31.551 -14.042 1.00 1.19 C ATOM 651 O GLU A 42 7.451 31.669 -12.838 1.00 1.19 O ATOM 652 CB GLU A 42 5.644 32.055 -15.281 1.00 1.26 C ATOM 653 CG GLU A 42 5.016 31.680 -16.635 1.00 2.32 C ATOM 654 CD GLU A 42 3.973 32.683 -17.128 1.00 2.46 C ATOM 655 OE1 GLU A 42 4.373 33.801 -17.399 1.00 2.80 O ATOM 656 OE2 GLU A 42 2.833 32.256 -17.204 1.00 2.56 O ATOM 0 H GLU A 42 4.834 30.344 -13.632 1.00 0.93 H new ATOM 0 HA GLU A 42 6.940 30.320 -15.667 1.00 1.12 H new ATOM 0 HB2 GLU A 42 4.870 32.253 -14.539 1.00 1.26 H new ATOM 0 HB3 GLU A 42 6.239 32.964 -15.371 1.00 1.26 H new ATOM 0 HG2 GLU A 42 5.806 31.595 -17.381 1.00 2.32 H new ATOM 0 HG3 GLU A 42 4.551 30.698 -16.550 1.00 2.32 H new ATOM 663 N ARG A 43 8.548 31.962 -14.775 1.00 1.25 N ATOM 664 CA ARG A 43 9.680 32.629 -14.097 1.00 1.25 C ATOM 665 C ARG A 43 9.430 34.139 -13.773 1.00 1.45 C ATOM 666 O ARG A 43 9.147 34.908 -14.670 1.00 1.51 O ATOM 667 CB ARG A 43 10.898 32.487 -14.978 1.00 1.28 C ATOM 668 CG ARG A 43 12.079 32.946 -14.112 1.00 1.13 C ATOM 669 CD ARG A 43 13.357 32.853 -14.880 1.00 1.30 C ATOM 670 NE ARG A 43 14.429 33.191 -13.878 1.00 1.14 N ATOM 671 CZ ARG A 43 14.463 34.329 -13.317 1.00 0.74 C ATOM 672 NH1 ARG A 43 14.582 35.383 -14.007 1.00 1.38 N ATOM 673 NH2 ARG A 43 14.370 34.362 -12.063 1.00 1.95 N ATOM 0 H ARG A 43 8.620 31.869 -15.788 1.00 1.25 H new ATOM 0 HA ARG A 43 9.817 32.143 -13.131 1.00 1.25 H new ATOM 0 HB2 ARG A 43 11.028 31.456 -15.306 1.00 1.28 H new ATOM 0 HB3 ARG A 43 10.808 33.098 -15.876 1.00 1.28 H new ATOM 0 HG2 ARG A 43 11.919 33.973 -13.783 1.00 1.13 H new ATOM 0 HG3 ARG A 43 12.141 32.330 -13.215 1.00 1.13 H new ATOM 0 HD2 ARG A 43 13.500 31.854 -15.292 1.00 1.30 H new ATOM 0 HD3 ARG A 43 13.366 33.548 -15.720 1.00 1.30 H new ATOM 0 HE ARG A 43 15.138 32.495 -13.647 1.00 1.14 H new ATOM 0 HH11 ARG A 43 14.651 35.322 -15.023 1.00 1.38 H new ATOM 0 HH12 ARG A 43 14.608 36.293 -13.547 1.00 1.38 H new ATOM 0 HH21 ARG A 43 14.272 33.494 -11.536 1.00 1.95 H new ATOM 0 HH22 ARG A 43 14.393 35.256 -11.573 1.00 1.95 H new ATOM 687 N PRO A 44 9.526 34.478 -12.499 1.00 1.55 N ATOM 688 CA PRO A 44 9.338 35.866 -11.973 1.00 1.73 C ATOM 689 C PRO A 44 9.694 37.146 -12.790 1.00 1.83 C ATOM 690 O PRO A 44 10.407 37.178 -13.773 1.00 1.93 O ATOM 691 CB PRO A 44 10.235 35.797 -10.714 1.00 1.92 C ATOM 692 CG PRO A 44 9.858 34.436 -10.133 1.00 1.59 C ATOM 693 CD PRO A 44 9.827 33.519 -11.375 1.00 1.47 C ATOM 0 HA PRO A 44 8.264 36.040 -11.902 1.00 1.73 H new ATOM 0 HB2 PRO A 44 11.294 35.855 -10.964 1.00 1.92 H new ATOM 0 HB3 PRO A 44 10.026 36.610 -10.019 1.00 1.92 H new ATOM 0 HG2 PRO A 44 10.588 34.095 -9.399 1.00 1.59 H new ATOM 0 HG3 PRO A 44 8.891 34.466 -9.631 1.00 1.59 H new ATOM 0 HD2 PRO A 44 10.779 33.009 -11.524 1.00 1.47 H new ATOM 0 HD3 PRO A 44 9.062 32.747 -11.288 1.00 1.47 H new ATOM 701 N GLY A 45 9.128 38.202 -12.278 1.00 1.80 N ATOM 702 CA GLY A 45 9.284 39.590 -12.832 1.00 1.81 C ATOM 703 C GLY A 45 9.329 40.506 -11.613 1.00 1.38 C ATOM 704 O GLY A 45 10.323 40.543 -10.916 1.00 1.59 O ATOM 0 H GLY A 45 8.530 38.162 -11.453 1.00 1.80 H new ATOM 0 HA2 GLY A 45 10.195 39.677 -13.424 1.00 1.81 H new ATOM 0 HA3 GLY A 45 8.452 39.848 -13.488 1.00 1.81 H new ATOM 708 N MET A 46 8.246 41.201 -11.392 1.00 1.33 N ATOM 709 CA MET A 46 8.133 42.140 -10.228 1.00 1.07 C ATOM 710 C MET A 46 8.902 41.638 -8.989 1.00 0.62 C ATOM 711 O MET A 46 9.727 42.334 -8.443 1.00 1.38 O ATOM 712 CB MET A 46 6.631 42.322 -9.882 1.00 0.91 C ATOM 713 CG MET A 46 5.922 43.166 -10.957 1.00 1.56 C ATOM 714 SD MET A 46 4.232 43.683 -10.570 1.00 2.50 S ATOM 715 CE MET A 46 4.656 45.143 -9.584 1.00 3.61 C ATOM 0 H MET A 46 7.414 41.159 -11.980 1.00 1.33 H new ATOM 0 HA MET A 46 8.582 43.091 -10.513 1.00 1.07 H new ATOM 0 HB2 MET A 46 6.150 41.347 -9.803 1.00 0.91 H new ATOM 0 HB3 MET A 46 6.533 42.805 -8.910 1.00 0.91 H new ATOM 0 HG2 MET A 46 6.520 44.058 -11.144 1.00 1.56 H new ATOM 0 HG3 MET A 46 5.903 42.595 -11.885 1.00 1.56 H new ATOM 0 HE1 MET A 46 3.742 45.625 -9.237 1.00 3.61 H new ATOM 0 HE2 MET A 46 5.256 44.841 -8.726 1.00 3.61 H new ATOM 0 HE3 MET A 46 5.225 45.843 -10.196 1.00 3.61 H new ATOM 725 N LEU A 47 8.600 40.428 -8.595 1.00 0.81 N ATOM 726 CA LEU A 47 9.268 39.810 -7.399 1.00 1.25 C ATOM 727 C LEU A 47 10.435 38.827 -7.705 1.00 1.75 C ATOM 728 O LEU A 47 10.651 37.869 -6.978 1.00 2.17 O ATOM 729 CB LEU A 47 8.171 39.061 -6.608 1.00 2.52 C ATOM 730 CG LEU A 47 6.956 39.958 -6.282 1.00 3.08 C ATOM 731 CD1 LEU A 47 5.998 39.137 -5.420 1.00 4.50 C ATOM 732 CD2 LEU A 47 7.372 41.198 -5.479 1.00 2.47 C ATOM 0 H LEU A 47 7.912 39.831 -9.053 1.00 0.81 H new ATOM 0 HA LEU A 47 9.735 40.624 -6.844 1.00 1.25 H new ATOM 0 HB2 LEU A 47 7.837 38.199 -7.185 1.00 2.52 H new ATOM 0 HB3 LEU A 47 8.595 38.678 -5.680 1.00 2.52 H new ATOM 0 HG LEU A 47 6.498 40.288 -7.214 1.00 3.08 H new ATOM 0 HD11 LEU A 47 5.126 39.741 -5.170 1.00 4.50 H new ATOM 0 HD12 LEU A 47 5.681 38.252 -5.971 1.00 4.50 H new ATOM 0 HD13 LEU A 47 6.503 38.832 -4.504 1.00 4.50 H new ATOM 0 HD21 LEU A 47 6.493 41.806 -5.267 1.00 2.47 H new ATOM 0 HD22 LEU A 47 7.832 40.887 -4.541 1.00 2.47 H new ATOM 0 HD23 LEU A 47 8.087 41.783 -6.057 1.00 2.47 H new ATOM 744 N ASP A 48 11.189 39.050 -8.751 1.00 2.42 N ATOM 745 CA ASP A 48 12.309 38.108 -9.041 1.00 3.37 C ATOM 746 C ASP A 48 13.536 38.383 -8.130 1.00 3.24 C ATOM 747 O ASP A 48 14.652 38.610 -8.560 1.00 4.31 O ATOM 748 CB ASP A 48 12.664 38.279 -10.511 1.00 4.19 C ATOM 749 CG ASP A 48 13.600 37.222 -11.078 1.00 5.12 C ATOM 750 OD1 ASP A 48 14.549 36.785 -10.454 1.00 5.69 O ATOM 751 OD2 ASP A 48 13.340 36.848 -12.193 1.00 5.62 O ATOM 0 H ASP A 48 11.081 39.826 -9.404 1.00 2.42 H new ATOM 0 HA ASP A 48 12.005 37.082 -8.835 1.00 3.37 H new ATOM 0 HB2 ASP A 48 11.743 38.276 -11.094 1.00 4.19 H new ATOM 0 HB3 ASP A 48 13.123 39.258 -10.646 1.00 4.19 H new ATOM 756 N PHE A 49 13.307 38.373 -6.847 1.00 2.07 N ATOM 757 CA PHE A 49 14.428 38.603 -5.865 1.00 2.06 C ATOM 758 C PHE A 49 14.378 37.325 -5.041 1.00 2.03 C ATOM 759 O PHE A 49 15.180 36.432 -5.217 1.00 2.33 O ATOM 760 CB PHE A 49 14.294 39.869 -4.969 1.00 1.88 C ATOM 761 CG PHE A 49 13.097 40.753 -5.295 1.00 1.56 C ATOM 762 CD1 PHE A 49 13.041 41.429 -6.493 1.00 2.24 C ATOM 763 CD2 PHE A 49 12.074 40.901 -4.381 1.00 1.18 C ATOM 764 CE1 PHE A 49 11.973 42.249 -6.774 1.00 2.37 C ATOM 765 CE2 PHE A 49 11.004 41.720 -4.664 1.00 1.74 C ATOM 766 CZ PHE A 49 10.956 42.395 -5.862 1.00 2.16 C ATOM 0 H PHE A 49 12.392 38.216 -6.425 1.00 2.07 H new ATOM 0 HA PHE A 49 15.371 38.799 -6.375 1.00 2.06 H new ATOM 0 HB2 PHE A 49 14.224 39.555 -3.927 1.00 1.88 H new ATOM 0 HB3 PHE A 49 15.203 40.462 -5.063 1.00 1.88 H new ATOM 0 HD1 PHE A 49 13.837 41.315 -7.214 1.00 2.24 H new ATOM 0 HD2 PHE A 49 12.113 40.372 -3.440 1.00 1.18 H new ATOM 0 HE1 PHE A 49 11.934 42.779 -7.714 1.00 2.37 H new ATOM 0 HE2 PHE A 49 10.204 41.832 -3.947 1.00 1.74 H new ATOM 0 HZ PHE A 49 10.119 43.040 -6.085 1.00 2.16 H new ATOM 776 N LYS A 50 13.435 37.252 -4.149 1.00 1.73 N ATOM 777 CA LYS A 50 13.314 36.023 -3.314 1.00 1.73 C ATOM 778 C LYS A 50 12.150 35.176 -3.883 1.00 1.66 C ATOM 779 O LYS A 50 11.515 34.395 -3.196 1.00 1.52 O ATOM 780 CB LYS A 50 13.144 36.465 -1.832 1.00 1.78 C ATOM 781 CG LYS A 50 13.224 35.239 -0.881 1.00 1.67 C ATOM 782 CD LYS A 50 14.477 34.394 -1.252 1.00 3.05 C ATOM 783 CE LYS A 50 14.705 33.284 -0.266 1.00 3.84 C ATOM 784 NZ LYS A 50 15.695 32.366 -0.896 1.00 5.06 N ATOM 0 H LYS A 50 12.747 37.981 -3.960 1.00 1.73 H new ATOM 0 HA LYS A 50 14.198 35.387 -3.342 1.00 1.73 H new ATOM 0 HB2 LYS A 50 13.919 37.185 -1.571 1.00 1.78 H new ATOM 0 HB3 LYS A 50 12.185 36.968 -1.705 1.00 1.78 H new ATOM 0 HG2 LYS A 50 13.286 35.570 0.156 1.00 1.67 H new ATOM 0 HG3 LYS A 50 12.322 34.634 -0.969 1.00 1.67 H new ATOM 0 HD2 LYS A 50 14.352 33.975 -2.250 1.00 3.05 H new ATOM 0 HD3 LYS A 50 15.355 35.039 -1.285 1.00 3.05 H new ATOM 0 HE2 LYS A 50 15.082 33.674 0.679 1.00 3.84 H new ATOM 0 HE3 LYS A 50 13.774 32.761 -0.046 1.00 3.84 H new ATOM 0 HZ1 LYS A 50 16.285 31.932 -0.158 1.00 5.06 H new ATOM 0 HZ2 LYS A 50 15.193 31.621 -1.421 1.00 5.06 H new ATOM 0 HZ3 LYS A 50 16.299 32.903 -1.550 1.00 5.06 H new ATOM 798 N GLY A 51 11.909 35.321 -5.162 1.00 1.80 N ATOM 799 CA GLY A 51 10.786 34.550 -5.803 1.00 1.80 C ATOM 800 C GLY A 51 11.454 33.513 -6.643 1.00 1.43 C ATOM 801 O GLY A 51 11.382 32.336 -6.359 1.00 1.17 O ATOM 0 H GLY A 51 12.432 35.932 -5.789 1.00 1.80 H new ATOM 0 HA2 GLY A 51 10.142 34.093 -5.051 1.00 1.80 H new ATOM 0 HA3 GLY A 51 10.156 35.202 -6.409 1.00 1.80 H new ATOM 805 N LYS A 52 12.087 34.048 -7.652 1.00 1.52 N ATOM 806 CA LYS A 52 12.859 33.310 -8.673 1.00 1.36 C ATOM 807 C LYS A 52 13.344 32.002 -8.085 1.00 0.88 C ATOM 808 O LYS A 52 12.996 30.964 -8.586 1.00 0.48 O ATOM 809 CB LYS A 52 13.826 34.405 -9.114 1.00 1.58 C ATOM 810 CG LYS A 52 15.316 34.074 -9.077 1.00 2.59 C ATOM 811 CD LYS A 52 15.885 34.685 -7.770 1.00 3.02 C ATOM 812 CE LYS A 52 16.075 36.235 -7.723 1.00 2.69 C ATOM 813 NZ LYS A 52 16.603 36.845 -8.979 1.00 3.26 N ATOM 0 H LYS A 52 12.092 35.055 -7.812 1.00 1.52 H new ATOM 0 HA LYS A 52 12.373 32.912 -9.564 1.00 1.36 H new ATOM 0 HB2 LYS A 52 13.569 34.693 -10.133 1.00 1.58 H new ATOM 0 HB3 LYS A 52 13.658 35.278 -8.484 1.00 1.58 H new ATOM 0 HG2 LYS A 52 15.472 32.995 -9.098 1.00 2.59 H new ATOM 0 HG3 LYS A 52 15.824 34.487 -9.949 1.00 2.59 H new ATOM 0 HD2 LYS A 52 15.224 34.402 -6.951 1.00 3.02 H new ATOM 0 HD3 LYS A 52 16.852 34.221 -7.575 1.00 3.02 H new ATOM 0 HE2 LYS A 52 15.116 36.696 -7.488 1.00 2.69 H new ATOM 0 HE3 LYS A 52 16.754 36.478 -6.906 1.00 2.69 H new ATOM 0 HZ1 LYS A 52 16.600 37.881 -8.890 1.00 3.26 H new ATOM 0 HZ2 LYS A 52 17.575 36.515 -9.143 1.00 3.26 H new ATOM 0 HZ3 LYS A 52 16.002 36.565 -9.780 1.00 3.26 H new ATOM 827 N ALA A 53 14.110 32.103 -7.041 1.00 0.96 N ATOM 828 CA ALA A 53 14.667 30.935 -6.321 1.00 0.56 C ATOM 829 C ALA A 53 13.848 29.652 -6.564 1.00 0.42 C ATOM 830 O ALA A 53 14.324 28.697 -7.137 1.00 0.48 O ATOM 831 CB ALA A 53 14.466 31.427 -4.920 1.00 0.16 C ATOM 0 H ALA A 53 14.385 32.999 -6.639 1.00 0.96 H new ATOM 0 HA ALA A 53 15.682 30.657 -6.605 1.00 0.56 H new ATOM 0 HB1 ALA A 53 14.828 30.678 -4.216 1.00 0.16 H new ATOM 0 HB2 ALA A 53 15.019 32.356 -4.778 1.00 0.16 H new ATOM 0 HB3 ALA A 53 13.405 31.606 -4.746 1.00 0.16 H new ATOM 837 N LYS A 54 12.612 29.697 -6.123 1.00 0.45 N ATOM 838 CA LYS A 54 11.710 28.525 -6.290 1.00 0.46 C ATOM 839 C LYS A 54 11.638 28.120 -7.740 1.00 0.42 C ATOM 840 O LYS A 54 11.880 26.995 -8.138 1.00 0.28 O ATOM 841 CB LYS A 54 10.232 28.831 -5.870 1.00 0.63 C ATOM 842 CG LYS A 54 10.040 29.060 -4.375 1.00 0.85 C ATOM 843 CD LYS A 54 10.576 30.439 -3.995 1.00 2.12 C ATOM 844 CE LYS A 54 9.933 30.798 -2.656 1.00 2.29 C ATOM 845 NZ LYS A 54 10.227 32.220 -2.248 1.00 3.12 N ATOM 0 H LYS A 54 12.193 30.500 -5.654 1.00 0.45 H new ATOM 0 HA LYS A 54 12.130 27.745 -5.655 1.00 0.46 H new ATOM 0 HB2 LYS A 54 9.889 29.715 -6.408 1.00 0.63 H new ATOM 0 HB3 LYS A 54 9.598 28.001 -6.183 1.00 0.63 H new ATOM 0 HG2 LYS A 54 8.983 28.986 -4.118 1.00 0.85 H new ATOM 0 HG3 LYS A 54 10.560 28.288 -3.809 1.00 0.85 H new ATOM 0 HD2 LYS A 54 11.663 30.424 -3.912 1.00 2.12 H new ATOM 0 HD3 LYS A 54 10.324 31.177 -4.757 1.00 2.12 H new ATOM 0 HE2 LYS A 54 8.854 30.656 -2.723 1.00 2.29 H new ATOM 0 HE3 LYS A 54 10.297 30.118 -1.886 1.00 2.29 H new ATOM 0 HZ1 LYS A 54 10.901 32.222 -1.456 1.00 3.12 H new ATOM 0 HZ2 LYS A 54 10.638 32.734 -3.053 1.00 3.12 H new ATOM 0 HZ3 LYS A 54 9.345 32.686 -1.954 1.00 3.12 H new ATOM 859 N TRP A 55 11.309 29.111 -8.508 1.00 0.59 N ATOM 860 CA TRP A 55 11.163 28.931 -9.948 1.00 0.65 C ATOM 861 C TRP A 55 12.380 28.322 -10.591 1.00 0.59 C ATOM 862 O TRP A 55 12.355 27.232 -11.126 1.00 0.54 O ATOM 863 CB TRP A 55 10.909 30.318 -10.578 1.00 0.78 C ATOM 864 CG TRP A 55 10.468 29.932 -11.958 1.00 0.82 C ATOM 865 CD1 TRP A 55 9.176 29.673 -12.211 1.00 0.84 C ATOM 866 CD2 TRP A 55 11.226 29.709 -13.059 1.00 0.84 C ATOM 867 NE1 TRP A 55 9.216 29.289 -13.453 1.00 0.85 N ATOM 868 CE2 TRP A 55 10.378 29.283 -14.028 1.00 0.84 C ATOM 869 CE3 TRP A 55 12.553 29.805 -13.396 1.00 0.86 C ATOM 870 CZ2 TRP A 55 10.730 28.950 -15.277 1.00 0.80 C ATOM 871 CZ3 TRP A 55 12.963 29.470 -14.671 1.00 0.86 C ATOM 872 CH2 TRP A 55 12.058 29.038 -15.631 1.00 0.84 C ATOM 0 H TRP A 55 11.133 30.060 -8.177 1.00 0.59 H new ATOM 0 HA TRP A 55 10.334 28.244 -10.117 1.00 0.65 H new ATOM 0 HB2 TRP A 55 10.143 30.880 -10.043 1.00 0.78 H new ATOM 0 HB3 TRP A 55 11.807 30.936 -10.590 1.00 0.78 H new ATOM 0 HD1 TRP A 55 8.324 29.761 -11.554 1.00 0.84 H new ATOM 0 HE1 TRP A 55 8.372 29.006 -13.951 1.00 0.85 H new ATOM 0 HE3 TRP A 55 13.274 30.142 -12.666 1.00 0.86 H new ATOM 0 HZ2 TRP A 55 9.989 28.620 -15.990 1.00 0.80 H new ATOM 0 HZ3 TRP A 55 14.010 29.546 -14.927 1.00 0.86 H new ATOM 0 HH2 TRP A 55 12.386 28.778 -16.627 1.00 0.84 H new ATOM 883 N ASP A 56 13.402 29.099 -10.474 1.00 0.62 N ATOM 884 CA ASP A 56 14.701 28.725 -11.038 1.00 0.60 C ATOM 885 C ASP A 56 15.038 27.318 -10.533 1.00 0.42 C ATOM 886 O ASP A 56 15.263 26.449 -11.350 1.00 0.35 O ATOM 887 CB ASP A 56 15.600 29.840 -10.639 1.00 0.59 C ATOM 888 CG ASP A 56 15.241 31.176 -11.298 1.00 0.56 C ATOM 889 OD1 ASP A 56 14.246 31.753 -10.909 1.00 1.23 O ATOM 890 OD2 ASP A 56 15.954 31.621 -12.176 1.00 1.24 O ATOM 0 H ASP A 56 13.387 30.001 -9.998 1.00 0.62 H new ATOM 0 HA ASP A 56 14.770 28.629 -12.122 1.00 0.60 H new ATOM 0 HB2 ASP A 56 15.564 29.956 -9.556 1.00 0.59 H new ATOM 0 HB3 ASP A 56 16.626 29.580 -10.898 1.00 0.59 H new ATOM 895 N ALA A 57 15.059 27.098 -9.238 1.00 0.34 N ATOM 896 CA ALA A 57 15.373 25.746 -8.691 1.00 0.19 C ATOM 897 C ALA A 57 14.630 24.600 -9.439 1.00 0.21 C ATOM 898 O ALA A 57 15.237 23.667 -9.923 1.00 0.23 O ATOM 899 CB ALA A 57 14.996 25.819 -7.208 1.00 0.05 C ATOM 0 H ALA A 57 14.869 27.809 -8.532 1.00 0.34 H new ATOM 0 HA ALA A 57 16.426 25.500 -8.828 1.00 0.19 H new ATOM 0 HB1 ALA A 57 15.198 24.859 -6.733 1.00 0.05 H new ATOM 0 HB2 ALA A 57 15.585 26.596 -6.721 1.00 0.05 H new ATOM 0 HB3 ALA A 57 13.936 26.054 -7.113 1.00 0.05 H new ATOM 905 N TRP A 58 13.328 24.699 -9.513 1.00 0.20 N ATOM 906 CA TRP A 58 12.507 23.665 -10.207 1.00 0.19 C ATOM 907 C TRP A 58 12.763 23.688 -11.711 1.00 0.16 C ATOM 908 O TRP A 58 12.937 22.652 -12.326 1.00 0.14 O ATOM 909 CB TRP A 58 11.058 24.000 -9.911 1.00 0.21 C ATOM 910 CG TRP A 58 10.080 23.057 -10.645 1.00 0.16 C ATOM 911 CD1 TRP A 58 10.329 21.967 -11.452 1.00 0.08 C ATOM 912 CD2 TRP A 58 8.759 23.269 -10.600 1.00 0.27 C ATOM 913 NE1 TRP A 58 9.092 21.641 -11.823 1.00 0.20 N ATOM 914 CE2 TRP A 58 8.098 22.362 -11.366 1.00 0.29 C ATOM 915 CE3 TRP A 58 8.069 24.226 -9.909 1.00 0.39 C ATOM 916 CZ2 TRP A 58 6.732 22.398 -11.479 1.00 0.40 C ATOM 917 CZ3 TRP A 58 6.705 24.277 -9.999 1.00 0.49 C ATOM 918 CH2 TRP A 58 6.037 23.369 -10.787 1.00 0.49 C ATOM 0 H TRP A 58 12.790 25.468 -9.114 1.00 0.20 H new ATOM 0 HA TRP A 58 12.762 22.665 -9.857 1.00 0.19 H new ATOM 0 HB2 TRP A 58 10.884 23.936 -8.837 1.00 0.21 H new ATOM 0 HB3 TRP A 58 10.857 25.030 -10.206 1.00 0.21 H new ATOM 0 HD1 TRP A 58 11.270 21.504 -11.712 1.00 0.08 H new ATOM 0 HE1 TRP A 58 8.923 20.851 -12.446 1.00 0.20 H new ATOM 0 HE3 TRP A 58 8.599 24.939 -9.295 1.00 0.39 H new ATOM 0 HZ2 TRP A 58 6.211 21.682 -12.097 1.00 0.40 H new ATOM 0 HZ3 TRP A 58 6.154 25.028 -9.453 1.00 0.49 H new ATOM 0 HH2 TRP A 58 4.961 23.416 -10.865 1.00 0.49 H new ATOM 929 N ASN A 59 12.782 24.849 -12.295 1.00 0.27 N ATOM 930 CA ASN A 59 13.018 24.981 -13.739 1.00 0.25 C ATOM 931 C ASN A 59 14.261 24.211 -14.083 1.00 0.23 C ATOM 932 O ASN A 59 14.242 23.451 -15.027 1.00 0.24 O ATOM 933 CB ASN A 59 13.117 26.463 -13.971 1.00 0.34 C ATOM 934 CG ASN A 59 14.069 26.783 -15.066 1.00 0.59 C ATOM 935 OD1 ASN A 59 13.944 26.387 -16.211 1.00 0.66 O ATOM 936 ND2 ASN A 59 15.041 27.515 -14.653 1.00 0.76 N ATOM 0 H ASN A 59 12.638 25.734 -11.809 1.00 0.27 H new ATOM 0 HA ASN A 59 12.236 24.572 -14.379 1.00 0.25 H new ATOM 0 HB2 ASN A 59 12.132 26.860 -14.217 1.00 0.34 H new ATOM 0 HB3 ASN A 59 13.439 26.955 -13.053 1.00 0.34 H new ATOM 0 HD21 ASN A 59 15.774 27.802 -15.301 1.00 0.76 H new ATOM 0 HD22 ASN A 59 15.079 27.809 -13.677 1.00 0.76 H new ATOM 943 N GLU A 60 15.288 24.441 -13.327 1.00 0.24 N ATOM 944 CA GLU A 60 16.557 23.718 -13.570 1.00 0.30 C ATOM 945 C GLU A 60 16.382 22.228 -13.764 1.00 0.27 C ATOM 946 O GLU A 60 17.153 21.581 -14.439 1.00 0.36 O ATOM 947 CB GLU A 60 17.523 24.061 -12.441 1.00 0.50 C ATOM 948 CG GLU A 60 18.034 25.530 -12.676 1.00 1.61 C ATOM 949 CD GLU A 60 18.291 25.793 -14.172 1.00 2.89 C ATOM 950 OE1 GLU A 60 19.115 25.090 -14.725 1.00 3.31 O ATOM 951 OE2 GLU A 60 17.630 26.676 -14.688 1.00 3.99 O ATOM 0 H GLU A 60 15.304 25.100 -12.549 1.00 0.24 H new ATOM 0 HA GLU A 60 16.973 24.051 -14.521 1.00 0.30 H new ATOM 0 HB2 GLU A 60 17.026 23.979 -11.475 1.00 0.50 H new ATOM 0 HB3 GLU A 60 18.360 23.363 -12.429 1.00 0.50 H new ATOM 0 HG2 GLU A 60 17.297 26.240 -12.300 1.00 1.61 H new ATOM 0 HG3 GLU A 60 18.952 25.694 -12.111 1.00 1.61 H new ATOM 958 N LEU A 61 15.356 21.713 -13.163 1.00 0.22 N ATOM 959 CA LEU A 61 15.043 20.274 -13.257 1.00 0.28 C ATOM 960 C LEU A 61 14.307 19.935 -14.505 1.00 0.26 C ATOM 961 O LEU A 61 14.713 19.049 -15.234 1.00 0.23 O ATOM 962 CB LEU A 61 14.167 19.979 -12.168 1.00 0.25 C ATOM 963 CG LEU A 61 14.751 20.498 -10.896 1.00 0.19 C ATOM 964 CD1 LEU A 61 13.887 19.892 -9.941 1.00 0.21 C ATOM 965 CD2 LEU A 61 16.171 20.053 -10.735 1.00 0.12 C ATOM 0 H LEU A 61 14.702 22.250 -12.593 1.00 0.22 H new ATOM 0 HA LEU A 61 15.976 19.711 -13.244 1.00 0.28 H new ATOM 0 HB2 LEU A 61 13.190 20.431 -12.342 1.00 0.25 H new ATOM 0 HB3 LEU A 61 14.012 18.903 -12.095 1.00 0.25 H new ATOM 0 HG LEU A 61 14.801 21.584 -10.821 1.00 0.19 H new ATOM 0 HD11 LEU A 61 14.193 20.184 -8.936 1.00 0.21 H new ATOM 0 HD12 LEU A 61 12.863 20.220 -10.117 1.00 0.21 H new ATOM 0 HD13 LEU A 61 13.942 18.808 -10.037 1.00 0.21 H new ATOM 0 HD21 LEU A 61 16.571 20.445 -9.800 1.00 0.12 H new ATOM 0 HD22 LEU A 61 16.211 18.964 -10.718 1.00 0.12 H new ATOM 0 HD23 LEU A 61 16.766 20.425 -11.569 1.00 0.12 H new ATOM 977 N LYS A 62 13.240 20.693 -14.639 1.00 0.48 N ATOM 978 CA LYS A 62 12.280 20.609 -15.788 1.00 0.48 C ATOM 979 C LYS A 62 12.961 19.808 -16.907 1.00 0.36 C ATOM 980 O LYS A 62 13.669 20.323 -17.757 1.00 0.53 O ATOM 981 CB LYS A 62 11.955 22.008 -16.197 1.00 0.48 C ATOM 982 CG LYS A 62 11.138 21.935 -17.482 1.00 0.32 C ATOM 983 CD LYS A 62 11.532 23.102 -18.479 1.00 0.76 C ATOM 984 CE LYS A 62 13.074 23.409 -18.588 1.00 2.07 C ATOM 985 NZ LYS A 62 13.487 24.255 -17.413 1.00 3.67 N ATOM 0 H LYS A 62 12.985 21.407 -13.956 1.00 0.48 H new ATOM 0 HA LYS A 62 11.349 20.102 -15.534 1.00 0.48 H new ATOM 0 HB2 LYS A 62 11.392 22.515 -15.413 1.00 0.48 H new ATOM 0 HB3 LYS A 62 12.868 22.582 -16.356 1.00 0.48 H new ATOM 0 HG2 LYS A 62 11.300 20.971 -17.964 1.00 0.32 H new ATOM 0 HG3 LYS A 62 10.076 21.999 -17.245 1.00 0.32 H new ATOM 0 HD2 LYS A 62 11.158 22.850 -19.471 1.00 0.76 H new ATOM 0 HD3 LYS A 62 11.019 24.012 -18.167 1.00 0.76 H new ATOM 0 HE2 LYS A 62 13.643 22.480 -18.602 1.00 2.07 H new ATOM 0 HE3 LYS A 62 13.290 23.929 -19.521 1.00 2.07 H new ATOM 0 HZ1 LYS A 62 13.903 25.145 -17.755 1.00 3.67 H new ATOM 0 HZ2 LYS A 62 12.654 24.465 -16.827 1.00 3.67 H new ATOM 0 HZ3 LYS A 62 14.190 23.740 -16.845 1.00 3.67 H new ATOM 999 N GLY A 63 12.641 18.563 -16.777 1.00 0.18 N ATOM 1000 CA GLY A 63 13.113 17.455 -17.646 1.00 0.10 C ATOM 1001 C GLY A 63 13.913 16.393 -16.848 1.00 0.10 C ATOM 1002 O GLY A 63 14.420 15.491 -17.486 1.00 0.12 O ATOM 0 H GLY A 63 12.016 18.241 -16.038 1.00 0.18 H new ATOM 0 HA2 GLY A 63 12.257 16.980 -18.125 1.00 0.10 H new ATOM 0 HA3 GLY A 63 13.740 17.859 -18.441 1.00 0.10 H new ATOM 1006 N THR A 64 14.049 16.446 -15.528 1.00 0.12 N ATOM 1007 CA THR A 64 14.840 15.366 -14.843 1.00 0.18 C ATOM 1008 C THR A 64 13.994 14.096 -14.744 1.00 0.18 C ATOM 1009 O THR A 64 12.787 14.182 -14.606 1.00 0.20 O ATOM 1010 CB THR A 64 15.123 15.855 -13.371 1.00 0.29 C ATOM 1011 OG1 THR A 64 16.527 15.859 -13.195 1.00 0.44 O ATOM 1012 CG2 THR A 64 14.650 14.864 -12.276 1.00 0.27 C ATOM 0 H THR A 64 13.659 17.166 -14.920 1.00 0.12 H new ATOM 0 HA THR A 64 15.757 15.164 -15.396 1.00 0.18 H new ATOM 0 HB THR A 64 14.610 16.811 -13.267 1.00 0.29 H new ATOM 0 HG1 THR A 64 16.742 16.161 -12.288 1.00 0.44 H new ATOM 0 HG21 THR A 64 14.880 15.272 -11.292 1.00 0.27 H new ATOM 0 HG22 THR A 64 13.574 14.712 -12.363 1.00 0.27 H new ATOM 0 HG23 THR A 64 15.163 13.910 -12.402 1.00 0.27 H new ATOM 1020 N SER A 65 14.620 12.947 -14.807 1.00 0.28 N ATOM 1021 CA SER A 65 13.841 11.656 -14.699 1.00 0.30 C ATOM 1022 C SER A 65 12.775 11.755 -13.586 1.00 0.33 C ATOM 1023 O SER A 65 13.081 11.740 -12.407 1.00 0.34 O ATOM 1024 CB SER A 65 14.811 10.479 -14.460 1.00 0.27 C ATOM 1025 OG SER A 65 14.078 9.436 -13.803 1.00 1.14 O ATOM 0 H SER A 65 15.627 12.838 -14.927 1.00 0.28 H new ATOM 0 HA SER A 65 13.313 11.475 -15.635 1.00 0.30 H new ATOM 0 HB2 SER A 65 15.220 10.122 -15.405 1.00 0.27 H new ATOM 0 HB3 SER A 65 15.655 10.797 -13.848 1.00 0.27 H new ATOM 0 HG SER A 65 14.546 8.583 -13.921 1.00 1.14 H new ATOM 1031 N LYS A 66 11.542 11.896 -14.005 1.00 0.50 N ATOM 1032 CA LYS A 66 10.349 12.004 -13.095 1.00 0.70 C ATOM 1033 C LYS A 66 10.523 11.317 -11.722 1.00 0.73 C ATOM 1034 O LYS A 66 10.112 11.816 -10.688 1.00 0.88 O ATOM 1035 CB LYS A 66 9.169 11.318 -13.845 1.00 0.84 C ATOM 1036 CG LYS A 66 7.796 11.776 -13.243 1.00 0.57 C ATOM 1037 CD LYS A 66 6.901 10.572 -12.820 1.00 1.20 C ATOM 1038 CE LYS A 66 7.523 9.794 -11.653 1.00 2.58 C ATOM 1039 NZ LYS A 66 7.661 10.750 -10.508 1.00 2.82 N ATOM 0 H LYS A 66 11.299 11.943 -14.994 1.00 0.50 H new ATOM 0 HA LYS A 66 10.186 13.059 -12.877 1.00 0.70 H new ATOM 0 HB2 LYS A 66 9.210 11.568 -14.905 1.00 0.84 H new ATOM 0 HB3 LYS A 66 9.263 10.235 -13.769 1.00 0.84 H new ATOM 0 HG2 LYS A 66 7.977 12.413 -12.377 1.00 0.57 H new ATOM 0 HG3 LYS A 66 7.264 12.380 -13.978 1.00 0.57 H new ATOM 0 HD2 LYS A 66 5.914 10.934 -12.533 1.00 1.20 H new ATOM 0 HD3 LYS A 66 6.761 9.905 -13.670 1.00 1.20 H new ATOM 0 HE2 LYS A 66 6.893 8.949 -11.375 1.00 2.58 H new ATOM 0 HE3 LYS A 66 8.495 9.389 -11.935 1.00 2.58 H new ATOM 0 HZ1 LYS A 66 7.531 10.239 -9.612 1.00 2.82 H new ATOM 0 HZ2 LYS A 66 8.608 11.180 -10.527 1.00 2.82 H new ATOM 0 HZ3 LYS A 66 6.941 11.496 -10.589 1.00 2.82 H new ATOM 1053 N GLU A 67 11.156 10.180 -11.781 1.00 0.62 N ATOM 1054 CA GLU A 67 11.431 9.321 -10.591 1.00 0.74 C ATOM 1055 C GLU A 67 12.678 9.734 -9.846 1.00 0.65 C ATOM 1056 O GLU A 67 12.702 9.722 -8.629 1.00 0.66 O ATOM 1057 CB GLU A 67 11.542 7.874 -11.070 1.00 0.97 C ATOM 1058 CG GLU A 67 10.537 6.986 -10.278 1.00 1.16 C ATOM 1059 CD GLU A 67 10.975 5.513 -10.272 1.00 1.49 C ATOM 1060 OE1 GLU A 67 12.087 5.275 -9.811 1.00 2.08 O ATOM 1061 OE2 GLU A 67 10.202 4.679 -10.713 1.00 2.26 O ATOM 0 H GLU A 67 11.513 9.790 -12.653 1.00 0.62 H new ATOM 0 HA GLU A 67 10.611 9.434 -9.882 1.00 0.74 H new ATOM 0 HB2 GLU A 67 11.332 7.816 -12.138 1.00 0.97 H new ATOM 0 HB3 GLU A 67 12.559 7.509 -10.925 1.00 0.97 H new ATOM 0 HG2 GLU A 67 10.459 7.348 -9.253 1.00 1.16 H new ATOM 0 HG3 GLU A 67 9.545 7.071 -10.723 1.00 1.16 H new ATOM 1068 N ASP A 68 13.712 10.063 -10.564 1.00 0.62 N ATOM 1069 CA ASP A 68 14.949 10.491 -9.894 1.00 0.69 C ATOM 1070 C ASP A 68 14.554 11.573 -8.901 1.00 0.60 C ATOM 1071 O ASP A 68 14.959 11.579 -7.759 1.00 0.68 O ATOM 1072 CB ASP A 68 15.863 10.893 -11.000 1.00 0.74 C ATOM 1073 CG ASP A 68 16.325 9.677 -11.800 1.00 0.94 C ATOM 1074 OD1 ASP A 68 15.762 8.595 -11.672 1.00 1.84 O ATOM 1075 OD2 ASP A 68 17.250 9.916 -12.538 1.00 0.87 O ATOM 0 H ASP A 68 13.746 10.051 -11.583 1.00 0.62 H new ATOM 0 HA ASP A 68 15.478 9.743 -9.303 1.00 0.69 H new ATOM 0 HB2 ASP A 68 15.353 11.595 -11.660 1.00 0.74 H new ATOM 0 HB3 ASP A 68 16.729 11.413 -10.590 1.00 0.74 H new ATOM 1080 N ALA A 69 13.744 12.446 -9.433 1.00 0.46 N ATOM 1081 CA ALA A 69 13.211 13.592 -8.636 1.00 0.36 C ATOM 1082 C ALA A 69 12.677 13.076 -7.268 1.00 0.33 C ATOM 1083 O ALA A 69 13.057 13.582 -6.236 1.00 0.36 O ATOM 1084 CB ALA A 69 12.144 14.248 -9.491 1.00 0.21 C ATOM 0 H ALA A 69 13.423 12.415 -10.401 1.00 0.46 H new ATOM 0 HA ALA A 69 13.976 14.330 -8.394 1.00 0.36 H new ATOM 0 HB1 ALA A 69 11.718 15.096 -8.955 1.00 0.21 H new ATOM 0 HB2 ALA A 69 12.588 14.595 -10.424 1.00 0.21 H new ATOM 0 HB3 ALA A 69 11.358 13.525 -9.710 1.00 0.21 H new ATOM 1090 N MET A 70 11.810 12.097 -7.323 1.00 0.34 N ATOM 1091 CA MET A 70 11.194 11.457 -6.151 1.00 0.43 C ATOM 1092 C MET A 70 12.230 10.881 -5.207 1.00 0.50 C ATOM 1093 O MET A 70 12.281 11.196 -4.033 1.00 0.58 O ATOM 1094 CB MET A 70 10.346 10.311 -6.678 1.00 0.44 C ATOM 1095 CG MET A 70 9.100 10.861 -7.364 1.00 0.41 C ATOM 1096 SD MET A 70 7.848 9.687 -7.932 1.00 0.67 S ATOM 1097 CE MET A 70 6.396 10.681 -7.505 1.00 0.55 C ATOM 0 H MET A 70 11.492 11.698 -8.206 1.00 0.34 H new ATOM 0 HA MET A 70 10.616 12.198 -5.599 1.00 0.43 H new ATOM 0 HB2 MET A 70 10.925 9.712 -7.381 1.00 0.44 H new ATOM 0 HB3 MET A 70 10.060 9.652 -5.858 1.00 0.44 H new ATOM 0 HG2 MET A 70 8.618 11.553 -6.674 1.00 0.41 H new ATOM 0 HG3 MET A 70 9.425 11.444 -8.226 1.00 0.41 H new ATOM 0 HE1 MET A 70 5.523 10.296 -8.032 1.00 0.55 H new ATOM 0 HE2 MET A 70 6.223 10.629 -6.430 1.00 0.55 H new ATOM 0 HE3 MET A 70 6.567 11.718 -7.795 1.00 0.55 H new ATOM 1107 N LYS A 71 13.023 10.014 -5.771 1.00 0.48 N ATOM 1108 CA LYS A 71 14.107 9.358 -4.997 1.00 0.54 C ATOM 1109 C LYS A 71 14.918 10.484 -4.288 1.00 0.47 C ATOM 1110 O LYS A 71 14.962 10.552 -3.074 1.00 0.45 O ATOM 1111 CB LYS A 71 15.042 8.645 -5.982 1.00 0.51 C ATOM 1112 CG LYS A 71 14.423 7.512 -6.833 1.00 1.03 C ATOM 1113 CD LYS A 71 15.645 7.048 -7.692 1.00 0.86 C ATOM 1114 CE LYS A 71 15.290 6.230 -8.919 1.00 2.07 C ATOM 1115 NZ LYS A 71 14.401 7.052 -9.788 1.00 2.80 N ATOM 0 H LYS A 71 12.963 9.730 -6.749 1.00 0.48 H new ATOM 0 HA LYS A 71 13.701 8.647 -4.277 1.00 0.54 H new ATOM 0 HB2 LYS A 71 15.456 9.392 -6.660 1.00 0.51 H new ATOM 0 HB3 LYS A 71 15.877 8.229 -5.418 1.00 0.51 H new ATOM 0 HG2 LYS A 71 14.029 6.706 -6.215 1.00 1.03 H new ATOM 0 HG3 LYS A 71 13.601 7.869 -7.453 1.00 1.03 H new ATOM 0 HD2 LYS A 71 16.203 7.929 -8.010 1.00 0.86 H new ATOM 0 HD3 LYS A 71 16.311 6.459 -7.061 1.00 0.86 H new ATOM 0 HE2 LYS A 71 16.193 5.946 -9.460 1.00 2.07 H new ATOM 0 HE3 LYS A 71 14.789 5.307 -8.628 1.00 2.07 H new ATOM 0 HZ1 LYS A 71 13.523 6.529 -9.980 1.00 2.80 H new ATOM 0 HZ2 LYS A 71 14.174 7.945 -9.306 1.00 2.80 H new ATOM 0 HZ3 LYS A 71 14.885 7.256 -10.685 1.00 2.80 H new ATOM 1129 N ALA A 72 15.493 11.312 -5.139 1.00 0.49 N ATOM 1130 CA ALA A 72 16.330 12.484 -4.737 1.00 0.47 C ATOM 1131 C ALA A 72 15.655 13.160 -3.535 1.00 0.36 C ATOM 1132 O ALA A 72 16.191 13.251 -2.449 1.00 0.36 O ATOM 1133 CB ALA A 72 16.407 13.397 -5.995 1.00 0.54 C ATOM 0 H ALA A 72 15.406 11.209 -6.150 1.00 0.49 H new ATOM 0 HA ALA A 72 17.341 12.225 -4.424 1.00 0.47 H new ATOM 0 HB1 ALA A 72 17.008 14.278 -5.769 1.00 0.54 H new ATOM 0 HB2 ALA A 72 16.865 12.846 -6.817 1.00 0.54 H new ATOM 0 HB3 ALA A 72 15.402 13.707 -6.281 1.00 0.54 H new ATOM 1139 N TYR A 73 14.469 13.620 -3.804 1.00 0.30 N ATOM 1140 CA TYR A 73 13.621 14.299 -2.790 1.00 0.23 C ATOM 1141 C TYR A 73 13.788 13.694 -1.375 1.00 0.22 C ATOM 1142 O TYR A 73 14.115 14.388 -0.433 1.00 0.27 O ATOM 1143 CB TYR A 73 12.239 14.003 -3.280 1.00 0.28 C ATOM 1144 CG TYR A 73 11.203 14.858 -2.636 1.00 0.27 C ATOM 1145 CD1 TYR A 73 11.026 16.129 -3.078 1.00 0.62 C ATOM 1146 CD2 TYR A 73 10.440 14.388 -1.613 1.00 1.04 C ATOM 1147 CE1 TYR A 73 10.094 16.926 -2.490 1.00 0.62 C ATOM 1148 CE2 TYR A 73 9.509 15.204 -1.047 1.00 1.01 C ATOM 1149 CZ TYR A 73 9.320 16.489 -1.471 1.00 0.24 C ATOM 1150 OH TYR A 73 8.394 17.369 -0.945 1.00 0.20 O ATOM 0 H TYR A 73 14.035 13.550 -4.725 1.00 0.30 H new ATOM 0 HA TYR A 73 13.869 15.356 -2.693 1.00 0.23 H new ATOM 0 HB2 TYR A 73 12.203 14.147 -4.360 1.00 0.28 H new ATOM 0 HB3 TYR A 73 12.008 12.955 -3.090 1.00 0.28 H new ATOM 0 HD1 TYR A 73 11.624 16.506 -3.895 1.00 0.62 H new ATOM 0 HD2 TYR A 73 10.571 13.378 -1.254 1.00 1.04 H new ATOM 0 HE1 TYR A 73 9.968 17.937 -2.847 1.00 0.62 H new ATOM 0 HE2 TYR A 73 8.902 14.824 -0.239 1.00 1.01 H new ATOM 0 HH TYR A 73 7.592 17.375 -1.508 1.00 0.20 H new ATOM 1160 N ILE A 74 13.560 12.404 -1.284 1.00 0.22 N ATOM 1161 CA ILE A 74 13.688 11.721 0.055 1.00 0.25 C ATOM 1162 C ILE A 74 15.157 11.842 0.467 1.00 0.24 C ATOM 1163 O ILE A 74 15.523 12.473 1.451 1.00 0.29 O ATOM 1164 CB ILE A 74 13.523 10.129 0.021 1.00 0.34 C ATOM 1165 CG1 ILE A 74 12.542 9.558 -1.009 1.00 0.41 C ATOM 1166 CG2 ILE A 74 13.176 9.706 1.449 1.00 0.39 C ATOM 1167 CD1 ILE A 74 13.144 8.215 -1.483 1.00 0.93 C ATOM 0 H ILE A 74 13.295 11.799 -2.061 1.00 0.22 H new ATOM 0 HA ILE A 74 12.926 12.178 0.686 1.00 0.25 H new ATOM 0 HB ILE A 74 14.464 9.704 -0.328 1.00 0.34 H new ATOM 0 HG12 ILE A 74 11.557 9.408 -0.567 1.00 0.41 H new ATOM 0 HG13 ILE A 74 12.414 10.244 -1.846 1.00 0.41 H new ATOM 0 HG21 ILE A 74 13.051 8.624 1.488 1.00 0.39 H new ATOM 0 HG22 ILE A 74 13.981 10.002 2.122 1.00 0.39 H new ATOM 0 HG23 ILE A 74 12.249 10.190 1.757 1.00 0.39 H new ATOM 0 HD11 ILE A 74 12.484 7.761 -2.222 1.00 0.93 H new ATOM 0 HD12 ILE A 74 14.122 8.392 -1.931 1.00 0.93 H new ATOM 0 HD13 ILE A 74 13.251 7.544 -0.631 1.00 0.93 H new ATOM 1179 N ASP A 75 15.925 11.195 -0.384 1.00 0.22 N ATOM 1180 CA ASP A 75 17.393 11.085 -0.291 1.00 0.35 C ATOM 1181 C ASP A 75 18.093 12.342 0.235 1.00 0.41 C ATOM 1182 O ASP A 75 19.123 12.262 0.880 1.00 0.56 O ATOM 1183 CB ASP A 75 17.862 10.558 -1.684 1.00 0.39 C ATOM 1184 CG ASP A 75 17.735 9.033 -1.846 1.00 0.48 C ATOM 1185 OD1 ASP A 75 18.123 8.374 -0.891 1.00 1.26 O ATOM 1186 OD2 ASP A 75 17.272 8.630 -2.908 1.00 1.07 O ATOM 0 H ASP A 75 15.544 10.708 -1.195 1.00 0.22 H new ATOM 0 HA ASP A 75 17.694 10.379 0.483 1.00 0.35 H new ATOM 0 HB2 ASP A 75 17.277 11.047 -2.463 1.00 0.39 H new ATOM 0 HB3 ASP A 75 18.902 10.845 -1.839 1.00 0.39 H new ATOM 1191 N LYS A 76 17.472 13.443 -0.078 1.00 0.30 N ATOM 1192 CA LYS A 76 17.983 14.768 0.328 1.00 0.34 C ATOM 1193 C LYS A 76 17.246 15.320 1.574 1.00 0.37 C ATOM 1194 O LYS A 76 17.906 15.852 2.443 1.00 0.52 O ATOM 1195 CB LYS A 76 17.779 15.676 -0.887 1.00 0.30 C ATOM 1196 CG LYS A 76 19.123 16.204 -1.500 1.00 0.79 C ATOM 1197 CD LYS A 76 20.230 16.504 -0.443 1.00 0.46 C ATOM 1198 CE LYS A 76 21.143 17.614 -0.959 1.00 0.73 C ATOM 1199 NZ LYS A 76 20.311 18.851 -0.975 1.00 1.89 N ATOM 0 H LYS A 76 16.605 13.474 -0.615 1.00 0.30 H new ATOM 0 HA LYS A 76 19.032 14.710 0.619 1.00 0.34 H new ATOM 0 HB2 LYS A 76 17.229 15.129 -1.653 1.00 0.30 H new ATOM 0 HB3 LYS A 76 17.161 16.526 -0.597 1.00 0.30 H new ATOM 0 HG2 LYS A 76 19.502 15.467 -2.208 1.00 0.79 H new ATOM 0 HG3 LYS A 76 18.920 17.113 -2.066 1.00 0.79 H new ATOM 0 HD2 LYS A 76 19.774 16.803 0.501 1.00 0.46 H new ATOM 0 HD3 LYS A 76 20.811 15.604 -0.245 1.00 0.46 H new ATOM 0 HE2 LYS A 76 22.013 17.736 -0.314 1.00 0.73 H new ATOM 0 HE3 LYS A 76 21.516 17.381 -1.956 1.00 0.73 H new ATOM 0 HZ1 LYS A 76 20.860 19.644 -0.586 1.00 1.89 H new ATOM 0 HZ2 LYS A 76 20.033 19.070 -1.953 1.00 1.89 H new ATOM 0 HZ3 LYS A 76 19.459 18.704 -0.397 1.00 1.89 H new ATOM 1213 N VAL A 77 15.932 15.201 1.662 1.00 0.32 N ATOM 1214 CA VAL A 77 15.117 15.696 2.810 1.00 0.37 C ATOM 1215 C VAL A 77 15.861 15.599 4.128 1.00 0.59 C ATOM 1216 O VAL A 77 15.760 16.499 4.933 1.00 0.64 O ATOM 1217 CB VAL A 77 13.823 14.881 2.724 1.00 0.42 C ATOM 1218 CG1 VAL A 77 13.340 14.453 4.053 1.00 0.54 C ATOM 1219 CG2 VAL A 77 12.736 15.747 2.058 1.00 0.30 C ATOM 0 H VAL A 77 15.372 14.753 0.937 1.00 0.32 H new ATOM 0 HA VAL A 77 14.896 16.762 2.760 1.00 0.37 H new ATOM 0 HB VAL A 77 14.032 13.984 2.140 1.00 0.42 H new ATOM 0 HG11 VAL A 77 12.421 13.879 3.938 1.00 0.54 H new ATOM 0 HG12 VAL A 77 14.097 13.833 4.533 1.00 0.54 H new ATOM 0 HG13 VAL A 77 13.145 15.331 4.669 1.00 0.54 H new ATOM 0 HG21 VAL A 77 11.809 15.178 1.990 1.00 0.30 H new ATOM 0 HG22 VAL A 77 12.569 16.644 2.655 1.00 0.30 H new ATOM 0 HG23 VAL A 77 13.060 16.032 1.057 1.00 0.30 H new ATOM 1229 N GLU A 78 16.544 14.500 4.324 1.00 0.77 N ATOM 1230 CA GLU A 78 17.350 14.308 5.606 1.00 1.04 C ATOM 1231 C GLU A 78 17.927 15.689 6.070 1.00 1.07 C ATOM 1232 O GLU A 78 17.779 16.049 7.224 1.00 1.17 O ATOM 1233 CB GLU A 78 18.462 13.237 5.397 1.00 1.38 C ATOM 1234 CG GLU A 78 18.166 11.896 6.205 1.00 0.65 C ATOM 1235 CD GLU A 78 18.406 11.996 7.721 1.00 1.39 C ATOM 1236 OE1 GLU A 78 17.565 12.459 8.480 1.00 1.71 O ATOM 1237 OE2 GLU A 78 19.482 11.584 8.112 1.00 2.28 O ATOM 0 H GLU A 78 16.589 13.722 3.666 1.00 0.77 H new ATOM 0 HA GLU A 78 16.702 13.934 6.399 1.00 1.04 H new ATOM 0 HB2 GLU A 78 18.548 13.008 4.335 1.00 1.38 H new ATOM 0 HB3 GLU A 78 19.422 13.646 5.714 1.00 1.38 H new ATOM 0 HG2 GLU A 78 17.130 11.605 6.033 1.00 0.65 H new ATOM 0 HG3 GLU A 78 18.792 11.099 5.803 1.00 0.65 H new ATOM 1244 N GLU A 79 18.535 16.413 5.151 1.00 1.03 N ATOM 1245 CA GLU A 79 19.125 17.763 5.475 1.00 1.17 C ATOM 1246 C GLU A 79 18.128 18.534 6.355 1.00 0.96 C ATOM 1247 O GLU A 79 18.436 19.048 7.405 1.00 1.11 O ATOM 1248 CB GLU A 79 19.278 18.627 4.173 1.00 1.36 C ATOM 1249 CG GLU A 79 20.279 18.051 3.135 1.00 1.81 C ATOM 1250 CD GLU A 79 20.286 18.910 1.871 1.00 2.64 C ATOM 1251 OE1 GLU A 79 19.224 19.041 1.287 1.00 3.33 O ATOM 1252 OE2 GLU A 79 21.340 19.399 1.502 1.00 2.90 O ATOM 0 H GLU A 79 18.649 16.124 4.180 1.00 1.03 H new ATOM 0 HA GLU A 79 20.089 17.602 5.957 1.00 1.17 H new ATOM 0 HB2 GLU A 79 18.301 18.727 3.701 1.00 1.36 H new ATOM 0 HB3 GLU A 79 19.600 19.630 4.453 1.00 1.36 H new ATOM 0 HG2 GLU A 79 21.280 18.017 3.565 1.00 1.81 H new ATOM 0 HG3 GLU A 79 20.004 17.026 2.885 1.00 1.81 H new ATOM 1259 N LEU A 80 16.923 18.561 5.864 1.00 0.62 N ATOM 1260 CA LEU A 80 15.771 19.254 6.516 1.00 0.41 C ATOM 1261 C LEU A 80 15.285 18.589 7.757 1.00 0.32 C ATOM 1262 O LEU A 80 15.085 19.173 8.804 1.00 0.27 O ATOM 1263 CB LEU A 80 14.711 19.252 5.475 1.00 0.24 C ATOM 1264 CG LEU A 80 15.373 19.731 4.167 1.00 0.30 C ATOM 1265 CD1 LEU A 80 14.264 20.133 3.362 1.00 0.28 C ATOM 1266 CD2 LEU A 80 16.329 20.925 4.404 1.00 0.41 C ATOM 0 H LEU A 80 16.675 18.105 4.986 1.00 0.62 H new ATOM 0 HA LEU A 80 16.065 20.250 6.848 1.00 0.41 H new ATOM 0 HB2 LEU A 80 14.291 18.254 5.353 1.00 0.24 H new ATOM 0 HB3 LEU A 80 13.890 19.911 5.757 1.00 0.24 H new ATOM 0 HG LEU A 80 15.987 18.955 3.710 1.00 0.30 H new ATOM 0 HD11 LEU A 80 14.625 20.494 2.399 1.00 0.28 H new ATOM 0 HD12 LEU A 80 13.601 19.282 3.205 1.00 0.28 H new ATOM 0 HD13 LEU A 80 13.718 20.930 3.867 1.00 0.28 H new ATOM 0 HD21 LEU A 80 16.773 21.229 3.456 1.00 0.41 H new ATOM 0 HD22 LEU A 80 15.771 21.760 4.828 1.00 0.41 H new ATOM 0 HD23 LEU A 80 17.118 20.628 5.095 1.00 0.41 H new ATOM 1278 N LYS A 81 15.104 17.328 7.598 1.00 0.33 N ATOM 1279 CA LYS A 81 14.624 16.527 8.755 1.00 0.35 C ATOM 1280 C LYS A 81 15.603 16.686 9.936 1.00 0.42 C ATOM 1281 O LYS A 81 15.221 16.550 11.083 1.00 0.45 O ATOM 1282 CB LYS A 81 14.588 15.148 8.235 1.00 0.40 C ATOM 1283 CG LYS A 81 14.026 14.187 9.262 1.00 0.51 C ATOM 1284 CD LYS A 81 13.836 12.855 8.496 1.00 0.43 C ATOM 1285 CE LYS A 81 13.176 11.805 9.366 1.00 0.81 C ATOM 1286 NZ LYS A 81 11.863 12.373 9.784 1.00 1.55 N ATOM 0 H LYS A 81 15.262 16.811 6.733 1.00 0.33 H new ATOM 0 HA LYS A 81 13.650 16.833 9.136 1.00 0.35 H new ATOM 0 HB2 LYS A 81 13.980 15.114 7.331 1.00 0.40 H new ATOM 0 HB3 LYS A 81 15.594 14.836 7.955 1.00 0.40 H new ATOM 0 HG2 LYS A 81 14.707 14.065 10.104 1.00 0.51 H new ATOM 0 HG3 LYS A 81 13.081 14.549 9.667 1.00 0.51 H new ATOM 0 HD2 LYS A 81 13.228 13.028 7.608 1.00 0.43 H new ATOM 0 HD3 LYS A 81 14.804 12.489 8.153 1.00 0.43 H new ATOM 0 HE2 LYS A 81 13.039 10.874 8.816 1.00 0.81 H new ATOM 0 HE3 LYS A 81 13.794 11.575 10.234 1.00 0.81 H new ATOM 0 HZ1 LYS A 81 11.135 11.631 9.743 1.00 1.55 H new ATOM 0 HZ2 LYS A 81 11.935 12.734 10.757 1.00 1.55 H new ATOM 0 HZ3 LYS A 81 11.602 13.150 9.144 1.00 1.55 H new ATOM 1300 N LYS A 82 16.823 16.984 9.582 1.00 0.44 N ATOM 1301 CA LYS A 82 17.905 17.170 10.591 1.00 0.53 C ATOM 1302 C LYS A 82 18.050 18.641 11.000 1.00 0.47 C ATOM 1303 O LYS A 82 18.157 18.958 12.163 1.00 0.50 O ATOM 1304 CB LYS A 82 19.209 16.665 9.923 1.00 0.68 C ATOM 1305 CG LYS A 82 19.241 15.109 9.801 1.00 0.37 C ATOM 1306 CD LYS A 82 19.185 14.515 11.247 1.00 1.30 C ATOM 1307 CE LYS A 82 19.952 13.195 11.378 1.00 1.67 C ATOM 1308 NZ LYS A 82 19.239 12.100 10.657 1.00 2.07 N ATOM 0 H LYS A 82 17.122 17.109 8.615 1.00 0.44 H new ATOM 0 HA LYS A 82 17.677 16.619 11.503 1.00 0.53 H new ATOM 0 HB2 LYS A 82 19.303 17.108 8.932 1.00 0.68 H new ATOM 0 HB3 LYS A 82 20.067 17.000 10.505 1.00 0.68 H new ATOM 0 HG2 LYS A 82 18.397 14.755 9.210 1.00 0.37 H new ATOM 0 HG3 LYS A 82 20.147 14.784 9.289 1.00 0.37 H new ATOM 0 HD2 LYS A 82 19.597 15.240 11.949 1.00 1.30 H new ATOM 0 HD3 LYS A 82 18.144 14.354 11.529 1.00 1.30 H new ATOM 0 HE2 LYS A 82 20.957 13.310 10.973 1.00 1.67 H new ATOM 0 HE3 LYS A 82 20.061 12.934 12.431 1.00 1.67 H new ATOM 0 HZ1 LYS A 82 19.169 11.266 11.274 1.00 2.07 H new ATOM 0 HZ2 LYS A 82 18.284 12.420 10.397 1.00 2.07 H new ATOM 0 HZ3 LYS A 82 19.767 11.850 9.796 1.00 2.07 H new ATOM 1322 N LYS A 83 18.063 19.516 10.038 1.00 0.49 N ATOM 1323 CA LYS A 83 18.195 20.974 10.289 1.00 0.49 C ATOM 1324 C LYS A 83 16.938 21.585 10.900 1.00 0.38 C ATOM 1325 O LYS A 83 16.968 22.326 11.860 1.00 0.39 O ATOM 1326 CB LYS A 83 18.490 21.558 8.921 1.00 0.59 C ATOM 1327 CG LYS A 83 19.021 22.990 8.998 1.00 0.67 C ATOM 1328 CD LYS A 83 19.703 23.218 7.638 1.00 0.85 C ATOM 1329 CE LYS A 83 20.408 24.563 7.574 1.00 1.28 C ATOM 1330 NZ LYS A 83 20.966 24.629 6.195 1.00 1.40 N ATOM 0 H LYS A 83 17.985 19.270 9.051 1.00 0.49 H new ATOM 0 HA LYS A 83 18.976 21.187 11.018 1.00 0.49 H new ATOM 0 HB2 LYS A 83 19.221 20.930 8.411 1.00 0.59 H new ATOM 0 HB3 LYS A 83 17.581 21.543 8.319 1.00 0.59 H new ATOM 0 HG2 LYS A 83 18.215 23.705 9.163 1.00 0.67 H new ATOM 0 HG3 LYS A 83 19.726 23.109 9.821 1.00 0.67 H new ATOM 0 HD2 LYS A 83 20.424 22.421 7.456 1.00 0.85 H new ATOM 0 HD3 LYS A 83 18.958 23.161 6.844 1.00 0.85 H new ATOM 0 HE2 LYS A 83 19.715 25.383 7.761 1.00 1.28 H new ATOM 0 HE3 LYS A 83 21.196 24.634 8.324 1.00 1.28 H new ATOM 0 HZ1 LYS A 83 21.672 25.391 6.142 1.00 1.40 H new ATOM 0 HZ2 LYS A 83 21.417 23.722 5.959 1.00 1.40 H new ATOM 0 HZ3 LYS A 83 20.199 24.820 5.519 1.00 1.40 H new ATOM 1344 N TYR A 84 15.868 21.232 10.272 1.00 0.36 N ATOM 1345 CA TYR A 84 14.520 21.701 10.702 1.00 0.30 C ATOM 1346 C TYR A 84 13.930 20.771 11.767 1.00 0.30 C ATOM 1347 O TYR A 84 13.504 21.316 12.771 1.00 0.40 O ATOM 1348 CB TYR A 84 13.685 21.904 9.427 1.00 0.30 C ATOM 1349 CG TYR A 84 14.427 22.977 8.616 1.00 0.52 C ATOM 1350 CD1 TYR A 84 14.745 24.176 9.229 1.00 1.38 C ATOM 1351 CD2 TYR A 84 14.800 22.786 7.294 1.00 1.23 C ATOM 1352 CE1 TYR A 84 15.415 25.160 8.575 1.00 1.50 C ATOM 1353 CE2 TYR A 84 15.480 23.792 6.641 1.00 1.32 C ATOM 1354 CZ TYR A 84 15.785 24.976 7.278 1.00 0.94 C ATOM 1355 OH TYR A 84 16.444 25.977 6.613 1.00 1.16 O ATOM 0 H TYR A 84 15.862 20.621 9.455 1.00 0.36 H new ATOM 0 HA TYR A 84 14.549 22.662 11.216 1.00 0.30 H new ATOM 0 HB2 TYR A 84 13.599 20.975 8.863 1.00 0.30 H new ATOM 0 HB3 TYR A 84 12.672 22.226 9.669 1.00 0.30 H new ATOM 0 HD1 TYR A 84 14.452 24.334 10.256 1.00 1.38 H new ATOM 0 HD2 TYR A 84 14.562 21.864 6.784 1.00 1.23 H new ATOM 0 HE1 TYR A 84 15.653 26.084 9.081 1.00 1.50 H new ATOM 0 HE2 TYR A 84 15.779 23.650 5.613 1.00 1.32 H new ATOM 0 HH TYR A 84 17.283 25.629 6.246 1.00 1.16 H new ATOM 1365 N GLY A 85 13.890 19.476 11.537 1.00 0.40 N ATOM 1366 CA GLY A 85 13.326 18.562 12.604 1.00 0.75 C ATOM 1367 C GLY A 85 11.838 18.220 12.601 1.00 0.41 C ATOM 1368 O GLY A 85 10.992 19.032 12.291 1.00 0.42 O ATOM 0 H GLY A 85 14.212 19.017 10.685 1.00 0.40 H new ATOM 0 HA2 GLY A 85 13.876 17.622 12.551 1.00 0.75 H new ATOM 0 HA3 GLY A 85 13.555 19.011 13.571 1.00 0.75 H new ATOM 1372 N ILE A 86 11.542 17.002 12.951 1.00 0.64 N ATOM 1373 CA ILE A 86 10.140 16.525 13.005 1.00 1.06 C ATOM 1374 C ILE A 86 9.597 16.663 14.449 1.00 1.26 C ATOM 1375 O ILE A 86 8.389 16.761 14.594 1.00 1.97 O ATOM 1376 CB ILE A 86 10.235 15.058 12.549 1.00 1.43 C ATOM 1377 CG1 ILE A 86 9.530 14.968 11.238 1.00 2.30 C ATOM 1378 CG2 ILE A 86 9.673 14.014 13.550 1.00 1.29 C ATOM 1379 CD1 ILE A 86 8.006 15.321 11.278 1.00 1.90 C ATOM 1380 OXT ILE A 86 10.406 16.664 15.365 1.00 1.19 O ATOM 0 H ILE A 86 12.235 16.300 13.209 1.00 0.64 H new ATOM 0 HA ILE A 86 9.452 17.092 12.378 1.00 1.06 H new ATOM 0 HB ILE A 86 11.291 14.799 12.476 1.00 1.43 H new ATOM 0 HG12 ILE A 86 10.023 15.635 10.531 1.00 2.30 H new ATOM 0 HG13 ILE A 86 9.642 13.955 10.851 1.00 2.30 H new ATOM 0 HG21 ILE A 86 9.787 13.013 13.134 1.00 1.29 H new ATOM 0 HG22 ILE A 86 10.220 14.081 14.491 1.00 1.29 H new ATOM 0 HG23 ILE A 86 8.617 14.214 13.729 1.00 1.29 H new ATOM 0 HD11 ILE A 86 7.584 15.226 10.277 1.00 1.90 H new ATOM 0 HD12 ILE A 86 7.492 14.638 11.955 1.00 1.90 H new ATOM 0 HD13 ILE A 86 7.879 16.345 11.630 1.00 1.90 H new TER 1392 ILE A 86