USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 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 NoAdj-H: A 123 HIS HE2 : A 123 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 166 HIS HE2 : A 166 HIS NE2 : A 202 ZNZN :(H bumps) USER MOD Single : A 96 SER OG : rot 30:sc= 0.0958 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 150:sc= 0.0253 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 149:sc= -0.64 (180deg=-2.22!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.594 K(o=-0.59,f=-4.3!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HD1:sc= -0.854 K(o=-0.85,f=-3.2!) USER MOD Single : A 132 MET CE :methyl -149:sc= -0.168 (180deg=-0.736) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 138 ASN : amide:sc= -0.465 X(o=-0.47,f=0) USER MOD Single : A 139 HIS : no HE2:sc= -0.296 K(o=-0.3,f=-0.85) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ -115:sc= -0.511 (180deg=-1.78!) USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.0024 USER MOD Single : A 149 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.017) USER MOD Single : A 151 SER OG : rot 79:sc= 0.931 USER MOD Single : A 152 MET CE :methyl -156:sc= -0.098 (180deg=-1.21) USER MOD Single : A 153 THR OG1 : rot -33:sc= 1.2 USER MOD Single : A 155 ASN : amide:sc= 0.0708 X(o=0.071,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0.644 K(o=0.64,f=-5.3!) USER MOD Single : A 167 LYS NZ :NH3+ 172:sc=-0.00421 (180deg=-0.0748) USER MOD Single : A 172 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 96 0.701 11.908 13.408 1.00 34.53 N ATOM 2 CA SER A 96 1.648 10.846 13.806 1.00 50.10 C ATOM 3 C SER A 96 2.726 10.662 12.719 1.00 74.14 C ATOM 4 O SER A 96 2.409 10.669 11.521 1.00 64.34 O ATOM 5 CB SER A 96 0.877 9.528 14.055 1.00 52.42 C ATOM 6 OG SER A 96 -0.161 9.708 15.008 1.00 12.41 O ATOM 0 HA SER A 96 2.148 11.133 14.731 1.00 50.10 H new ATOM 0 HB2 SER A 96 0.454 9.169 13.117 1.00 52.42 H new ATOM 0 HB3 SER A 96 1.567 8.761 14.407 1.00 52.42 H new ATOM 0 HG SER A 96 -0.488 10.631 14.966 1.00 12.41 H new ATOM 14 N ASP A 97 3.999 10.500 13.147 1.00 73.04 N ATOM 15 CA ASP A 97 5.143 10.283 12.230 1.00 31.24 C ATOM 16 C ASP A 97 5.150 8.831 11.718 1.00 61.20 C ATOM 17 O ASP A 97 4.626 7.933 12.396 1.00 74.32 O ATOM 18 CB ASP A 97 6.487 10.620 12.933 1.00 63.02 C ATOM 19 CG ASP A 97 6.864 9.639 14.063 1.00 55.21 C ATOM 20 OD1 ASP A 97 7.796 8.821 13.879 1.00 11.42 O ATOM 21 OD2 ASP A 97 6.214 9.668 15.132 1.00 10.31 O ATOM 0 H ASP A 97 4.262 10.516 14.132 1.00 73.04 H new ATOM 0 HA ASP A 97 5.030 10.952 11.377 1.00 31.24 H new ATOM 0 HB2 ASP A 97 7.284 10.626 12.189 1.00 63.02 H new ATOM 0 HB3 ASP A 97 6.428 11.628 13.344 1.00 63.02 H new ATOM 26 N ALA A 98 5.726 8.627 10.510 1.00 40.03 N ATOM 27 CA ALA A 98 5.784 7.309 9.822 1.00 73.24 C ATOM 28 C ALA A 98 4.373 6.746 9.535 1.00 63.13 C ATOM 29 O ALA A 98 4.207 5.552 9.256 1.00 63.30 O ATOM 30 CB ALA A 98 6.652 6.309 10.617 1.00 60.32 C ATOM 0 H ALA A 98 6.168 9.377 9.978 1.00 40.03 H new ATOM 0 HA ALA A 98 6.261 7.463 8.854 1.00 73.24 H new ATOM 0 HB1 ALA A 98 6.678 5.353 10.093 1.00 60.32 H new ATOM 0 HB2 ALA A 98 7.665 6.700 10.710 1.00 60.32 H new ATOM 0 HB3 ALA A 98 6.226 6.167 11.610 1.00 60.32 H new ATOM 36 N PHE A 99 3.367 7.636 9.559 1.00 11.04 N ATOM 37 CA PHE A 99 1.954 7.270 9.448 1.00 51.14 C ATOM 38 C PHE A 99 1.296 8.186 8.410 1.00 15.33 C ATOM 39 O PHE A 99 0.847 9.289 8.744 1.00 24.32 O ATOM 40 CB PHE A 99 1.274 7.371 10.843 1.00 73.00 C ATOM 41 CG PHE A 99 -0.143 6.804 10.929 1.00 71.11 C ATOM 42 CD1 PHE A 99 -0.432 5.531 10.445 1.00 62.03 C ATOM 43 CD2 PHE A 99 -1.177 7.533 11.516 1.00 10.23 C ATOM 44 CE1 PHE A 99 -1.706 5.008 10.537 1.00 53.13 C ATOM 45 CE2 PHE A 99 -2.450 7.010 11.607 1.00 20.34 C ATOM 46 CZ PHE A 99 -2.715 5.749 11.117 1.00 3.31 C ATOM 0 H PHE A 99 3.519 8.640 9.657 1.00 11.04 H new ATOM 0 HA PHE A 99 1.842 6.239 9.114 1.00 51.14 H new ATOM 0 HB2 PHE A 99 1.899 6.852 11.570 1.00 73.00 H new ATOM 0 HB3 PHE A 99 1.245 8.420 11.138 1.00 73.00 H new ATOM 0 HD1 PHE A 99 0.352 4.944 9.991 1.00 62.03 H new ATOM 0 HD2 PHE A 99 -0.978 8.521 11.905 1.00 10.23 H new ATOM 0 HE1 PHE A 99 -1.913 4.019 10.155 1.00 53.13 H new ATOM 0 HE2 PHE A 99 -3.240 7.589 12.063 1.00 20.34 H new ATOM 0 HZ PHE A 99 -3.713 5.341 11.187 1.00 3.31 H new ATOM 56 N LYS A 100 1.345 7.735 7.130 1.00 63.44 N ATOM 57 CA LYS A 100 0.822 8.470 5.951 1.00 44.33 C ATOM 58 C LYS A 100 1.628 9.767 5.686 1.00 75.43 C ATOM 59 O LYS A 100 1.190 10.648 4.944 1.00 31.23 O ATOM 60 CB LYS A 100 -0.706 8.738 6.100 1.00 71.10 C ATOM 61 CG LYS A 100 -1.568 7.449 6.185 1.00 61.44 C ATOM 62 CD LYS A 100 -3.010 7.716 6.684 1.00 13.32 C ATOM 63 CE LYS A 100 -3.039 8.266 8.125 1.00 13.53 C ATOM 64 NZ LYS A 100 -4.422 8.502 8.612 1.00 32.42 N ATOM 0 H LYS A 100 1.757 6.834 6.885 1.00 63.44 H new ATOM 0 HA LYS A 100 0.954 7.841 5.071 1.00 44.33 H new ATOM 0 HB2 LYS A 100 -0.874 9.335 6.996 1.00 71.10 H new ATOM 0 HB3 LYS A 100 -1.044 9.334 5.252 1.00 71.10 H new ATOM 0 HG2 LYS A 100 -1.611 6.982 5.201 1.00 61.44 H new ATOM 0 HG3 LYS A 100 -1.084 6.738 6.855 1.00 61.44 H new ATOM 0 HD2 LYS A 100 -3.497 8.427 6.016 1.00 13.32 H new ATOM 0 HD3 LYS A 100 -3.585 6.791 6.639 1.00 13.32 H new ATOM 0 HE2 LYS A 100 -2.537 7.563 8.790 1.00 13.53 H new ATOM 0 HE3 LYS A 100 -2.478 9.199 8.166 1.00 13.53 H new ATOM 0 HZ1 LYS A 100 -4.390 8.871 9.584 1.00 32.42 H new ATOM 0 HZ2 LYS A 100 -4.894 9.193 7.995 1.00 32.42 H new ATOM 0 HZ3 LYS A 100 -4.952 7.607 8.599 1.00 32.42 H new ATOM 78 N THR A 101 2.822 9.848 6.305 1.00 51.31 N ATOM 79 CA THR A 101 3.800 10.925 6.089 1.00 41.14 C ATOM 80 C THR A 101 4.607 10.663 4.804 1.00 31.43 C ATOM 81 O THR A 101 5.198 11.577 4.221 1.00 72.32 O ATOM 82 CB THR A 101 4.762 11.021 7.317 1.00 31.12 C ATOM 83 OG1 THR A 101 5.269 9.713 7.623 1.00 42.13 O ATOM 84 CG2 THR A 101 4.063 11.593 8.565 1.00 61.02 C ATOM 0 H THR A 101 3.137 9.152 6.981 1.00 51.31 H new ATOM 0 HA THR A 101 3.267 11.869 5.979 1.00 41.14 H new ATOM 0 HB THR A 101 5.571 11.700 7.049 1.00 31.12 H new ATOM 0 HG1 THR A 101 6.165 9.792 8.013 1.00 42.13 H new ATOM 0 HG21 THR A 101 4.773 11.640 9.391 1.00 61.02 H new ATOM 0 HG22 THR A 101 3.693 12.595 8.348 1.00 61.02 H new ATOM 0 HG23 THR A 101 3.227 10.950 8.841 1.00 61.02 H new ATOM 92 N ALA A 102 4.603 9.395 4.375 1.00 0.23 N ATOM 93 CA ALA A 102 5.235 8.933 3.135 1.00 41.33 C ATOM 94 C ALA A 102 4.251 8.023 2.386 1.00 35.42 C ATOM 95 O ALA A 102 3.246 7.576 2.967 1.00 64.51 O ATOM 96 CB ALA A 102 6.548 8.199 3.449 1.00 43.51 C ATOM 0 H ALA A 102 4.149 8.644 4.894 1.00 0.23 H new ATOM 0 HA ALA A 102 5.480 9.785 2.501 1.00 41.33 H new ATOM 0 HB1 ALA A 102 7.007 7.861 2.520 1.00 43.51 H new ATOM 0 HB2 ALA A 102 7.229 8.876 3.965 1.00 43.51 H new ATOM 0 HB3 ALA A 102 6.341 7.338 4.085 1.00 43.51 H new ATOM 102 N LEU A 103 4.538 7.756 1.104 1.00 42.44 N ATOM 103 CA LEU A 103 3.685 6.908 0.253 1.00 40.00 C ATOM 104 C LEU A 103 3.914 5.411 0.543 1.00 32.44 C ATOM 105 O LEU A 103 4.956 5.009 1.078 1.00 74.15 O ATOM 106 CB LEU A 103 3.925 7.220 -1.249 1.00 50.45 C ATOM 107 CG LEU A 103 3.520 8.657 -1.718 1.00 60.32 C ATOM 108 CD1 LEU A 103 3.876 8.876 -3.202 1.00 1.24 C ATOM 109 CD2 LEU A 103 2.014 8.937 -1.457 1.00 24.03 C ATOM 0 H LEU A 103 5.364 8.119 0.628 1.00 42.44 H new ATOM 0 HA LEU A 103 2.646 7.137 0.491 1.00 40.00 H new ATOM 0 HB2 LEU A 103 4.983 7.071 -1.467 1.00 50.45 H new ATOM 0 HB3 LEU A 103 3.371 6.494 -1.845 1.00 50.45 H new ATOM 0 HG LEU A 103 4.094 9.370 -1.126 1.00 60.32 H new ATOM 0 HD11 LEU A 103 3.584 9.882 -3.502 1.00 1.24 H new ATOM 0 HD12 LEU A 103 4.950 8.754 -3.340 1.00 1.24 H new ATOM 0 HD13 LEU A 103 3.346 8.147 -3.815 1.00 1.24 H new ATOM 0 HD21 LEU A 103 1.767 9.944 -1.795 1.00 24.03 H new ATOM 0 HD22 LEU A 103 1.409 8.213 -2.003 1.00 24.03 H new ATOM 0 HD23 LEU A 103 1.808 8.851 -0.390 1.00 24.03 H new ATOM 121 N CYS A 104 2.907 4.609 0.185 1.00 54.42 N ATOM 122 CA CYS A 104 2.893 3.158 0.378 1.00 60.02 C ATOM 123 C CYS A 104 3.693 2.492 -0.749 1.00 52.33 C ATOM 124 O CYS A 104 3.327 2.599 -1.927 1.00 21.12 O ATOM 125 CB CYS A 104 1.426 2.688 0.404 1.00 73.24 C ATOM 126 SG CYS A 104 1.135 0.899 0.584 1.00 73.25 S ATOM 0 H CYS A 104 2.058 4.961 -0.258 1.00 54.42 H new ATOM 0 HA CYS A 104 3.361 2.878 1.322 1.00 60.02 H new ATOM 0 HB2 CYS A 104 0.921 3.198 1.225 1.00 73.24 H new ATOM 0 HB3 CYS A 104 0.948 3.018 -0.518 1.00 73.24 H new ATOM 131 N ASP A 105 4.794 1.829 -0.369 1.00 42.52 N ATOM 132 CA ASP A 105 5.757 1.226 -1.304 1.00 62.52 C ATOM 133 C ASP A 105 5.135 0.026 -2.045 1.00 14.20 C ATOM 134 O ASP A 105 5.401 -0.193 -3.228 1.00 54.44 O ATOM 135 CB ASP A 105 7.035 0.816 -0.538 1.00 13.33 C ATOM 136 CG ASP A 105 8.194 0.393 -1.456 1.00 40.32 C ATOM 137 OD1 ASP A 105 8.766 1.268 -2.142 1.00 71.23 O ATOM 138 OD2 ASP A 105 8.556 -0.807 -1.478 1.00 30.12 O ATOM 0 H ASP A 105 5.045 1.694 0.610 1.00 42.52 H new ATOM 0 HA ASP A 105 6.026 1.963 -2.060 1.00 62.52 H new ATOM 0 HB2 ASP A 105 7.360 1.651 0.083 1.00 13.33 H new ATOM 0 HB3 ASP A 105 6.797 -0.007 0.135 1.00 13.33 H new ATOM 143 N ALA A 106 4.274 -0.716 -1.329 1.00 11.33 N ATOM 144 CA ALA A 106 3.499 -1.841 -1.894 1.00 1.24 C ATOM 145 C ALA A 106 2.425 -1.344 -2.889 1.00 33.14 C ATOM 146 O ALA A 106 1.998 -2.087 -3.772 1.00 51.13 O ATOM 147 CB ALA A 106 2.854 -2.659 -0.759 1.00 32.10 C ATOM 0 H ALA A 106 4.093 -0.554 -0.338 1.00 11.33 H new ATOM 0 HA ALA A 106 4.185 -2.483 -2.447 1.00 1.24 H new ATOM 0 HB1 ALA A 106 2.285 -3.486 -1.184 1.00 32.10 H new ATOM 0 HB2 ALA A 106 3.633 -3.053 -0.106 1.00 32.10 H new ATOM 0 HB3 ALA A 106 2.187 -2.018 -0.182 1.00 32.10 H new ATOM 153 N TYR A 107 1.997 -0.077 -2.730 1.00 22.14 N ATOM 154 CA TYR A 107 0.972 0.541 -3.594 1.00 1.13 C ATOM 155 C TYR A 107 1.611 1.148 -4.863 1.00 74.14 C ATOM 156 O TYR A 107 0.995 1.147 -5.931 1.00 63.24 O ATOM 157 CB TYR A 107 0.190 1.623 -2.800 1.00 5.12 C ATOM 158 CG TYR A 107 -1.012 2.236 -3.540 1.00 40.50 C ATOM 159 CD1 TYR A 107 -2.248 1.586 -3.563 1.00 75.05 C ATOM 160 CD2 TYR A 107 -0.910 3.457 -4.219 1.00 51.20 C ATOM 161 CE1 TYR A 107 -3.329 2.122 -4.231 1.00 50.22 C ATOM 162 CE2 TYR A 107 -1.992 3.995 -4.885 1.00 23.13 C ATOM 163 CZ TYR A 107 -3.198 3.325 -4.890 1.00 62.35 C ATOM 164 OH TYR A 107 -4.275 3.860 -5.564 1.00 34.25 O ATOM 0 H TYR A 107 2.350 0.545 -2.003 1.00 22.14 H new ATOM 0 HA TYR A 107 0.274 -0.234 -3.912 1.00 1.13 H new ATOM 0 HB2 TYR A 107 -0.164 1.182 -1.868 1.00 5.12 H new ATOM 0 HB3 TYR A 107 0.879 2.424 -2.533 1.00 5.12 H new ATOM 0 HD1 TYR A 107 -2.360 0.644 -3.047 1.00 75.05 H new ATOM 0 HD2 TYR A 107 0.031 3.986 -4.221 1.00 51.20 H new ATOM 0 HE1 TYR A 107 -4.275 1.601 -4.238 1.00 50.22 H new ATOM 0 HE2 TYR A 107 -1.895 4.939 -5.401 1.00 23.13 H new ATOM 0 HH TYR A 107 -4.015 4.712 -5.973 1.00 34.25 H new ATOM 174 N LYS A 108 2.841 1.682 -4.741 1.00 33.21 N ATOM 175 CA LYS A 108 3.529 2.347 -5.872 1.00 41.10 C ATOM 176 C LYS A 108 4.272 1.329 -6.763 1.00 20.33 C ATOM 177 O LYS A 108 4.355 1.520 -7.982 1.00 73.13 O ATOM 178 CB LYS A 108 4.487 3.467 -5.371 1.00 3.43 C ATOM 179 CG LYS A 108 5.665 2.997 -4.493 1.00 41.42 C ATOM 180 CD LYS A 108 6.545 4.156 -3.944 1.00 62.34 C ATOM 181 CE LYS A 108 7.538 4.745 -4.976 1.00 32.52 C ATOM 182 NZ LYS A 108 6.886 5.419 -6.136 1.00 53.15 N ATOM 0 H LYS A 108 3.380 1.668 -3.875 1.00 33.21 H new ATOM 0 HA LYS A 108 2.763 2.818 -6.488 1.00 41.10 H new ATOM 0 HB2 LYS A 108 4.890 3.989 -6.238 1.00 3.43 H new ATOM 0 HB3 LYS A 108 3.903 4.193 -4.805 1.00 3.43 H new ATOM 0 HG2 LYS A 108 5.273 2.423 -3.653 1.00 41.42 H new ATOM 0 HG3 LYS A 108 6.292 2.322 -5.075 1.00 41.42 H new ATOM 0 HD2 LYS A 108 5.894 4.954 -3.588 1.00 62.34 H new ATOM 0 HD3 LYS A 108 7.106 3.794 -3.083 1.00 62.34 H new ATOM 0 HE2 LYS A 108 8.187 5.461 -4.472 1.00 32.52 H new ATOM 0 HE3 LYS A 108 8.176 3.943 -5.348 1.00 32.52 H new ATOM 0 HZ1 LYS A 108 7.493 6.193 -6.474 1.00 53.15 H new ATOM 0 HZ2 LYS A 108 6.744 4.731 -6.902 1.00 53.15 H new ATOM 0 HZ3 LYS A 108 5.966 5.804 -5.842 1.00 53.15 H new ATOM 196 N ARG A 109 4.813 0.253 -6.154 1.00 35.02 N ATOM 197 CA ARG A 109 5.565 -0.788 -6.890 1.00 54.43 C ATOM 198 C ARG A 109 4.635 -1.923 -7.353 1.00 73.20 C ATOM 199 O ARG A 109 4.627 -2.292 -8.532 1.00 51.12 O ATOM 200 CB ARG A 109 6.708 -1.380 -6.016 1.00 24.10 C ATOM 201 CG ARG A 109 7.799 -0.372 -5.587 1.00 70.33 C ATOM 202 CD ARG A 109 8.983 -1.057 -4.880 1.00 14.42 C ATOM 203 NE ARG A 109 10.010 -0.091 -4.442 1.00 24.03 N ATOM 204 CZ ARG A 109 11.241 -0.409 -4.000 1.00 53.41 C ATOM 205 NH1 ARG A 109 11.640 -1.676 -3.919 1.00 22.20 N ATOM 206 NH2 ARG A 109 12.074 0.555 -3.637 1.00 4.42 N ATOM 0 H ARG A 109 4.743 0.081 -5.151 1.00 35.02 H new ATOM 0 HA ARG A 109 6.002 -0.309 -7.766 1.00 54.43 H new ATOM 0 HB2 ARG A 109 6.269 -1.818 -5.120 1.00 24.10 H new ATOM 0 HB3 ARG A 109 7.183 -2.191 -6.568 1.00 24.10 H new ATOM 0 HG2 ARG A 109 8.163 0.162 -6.465 1.00 70.33 H new ATOM 0 HG3 ARG A 109 7.362 0.371 -4.921 1.00 70.33 H new ATOM 0 HD2 ARG A 109 8.616 -1.610 -4.016 1.00 14.42 H new ATOM 0 HD3 ARG A 109 9.435 -1.783 -5.555 1.00 14.42 H new ATOM 0 HE ARG A 109 9.767 0.899 -4.477 1.00 24.03 H new ATOM 0 HH11 ARG A 109 11.009 -2.428 -4.195 1.00 22.20 H new ATOM 0 HH12 ARG A 109 12.577 -1.895 -3.581 1.00 22.20 H new ATOM 0 HH21 ARG A 109 11.781 1.530 -3.693 1.00 4.42 H new ATOM 0 HH22 ARG A 109 13.008 0.322 -3.301 1.00 4.42 H new ATOM 220 N SER A 110 3.839 -2.458 -6.415 1.00 53.21 N ATOM 221 CA SER A 110 3.046 -3.689 -6.633 1.00 71.12 C ATOM 222 C SER A 110 1.543 -3.391 -6.854 1.00 11.34 C ATOM 223 O SER A 110 0.770 -4.319 -7.128 1.00 71.04 O ATOM 224 CB SER A 110 3.249 -4.628 -5.424 1.00 44.31 C ATOM 225 OG SER A 110 4.628 -4.928 -5.230 1.00 14.43 O ATOM 0 H SER A 110 3.723 -2.055 -5.485 1.00 53.21 H new ATOM 0 HA SER A 110 3.398 -4.171 -7.545 1.00 71.12 H new ATOM 0 HB2 SER A 110 2.846 -4.161 -4.526 1.00 44.31 H new ATOM 0 HB3 SER A 110 2.692 -5.552 -5.580 1.00 44.31 H new ATOM 0 HG SER A 110 4.728 -5.523 -4.457 1.00 14.43 H new ATOM 231 N GLN A 111 1.160 -2.095 -6.744 1.00 50.14 N ATOM 232 CA GLN A 111 -0.228 -1.587 -6.906 1.00 41.21 C ATOM 233 C GLN A 111 -1.152 -2.031 -5.750 1.00 40.32 C ATOM 234 O GLN A 111 -1.625 -1.190 -4.975 1.00 24.11 O ATOM 235 CB GLN A 111 -0.832 -1.924 -8.304 1.00 51.24 C ATOM 236 CG GLN A 111 -0.081 -1.295 -9.506 1.00 51.20 C ATOM 237 CD GLN A 111 -0.192 0.240 -9.620 1.00 51.55 C ATOM 238 OE1 GLN A 111 -0.336 0.965 -8.634 1.00 43.42 O ATOM 239 NE2 GLN A 111 -0.104 0.749 -10.841 1.00 44.40 N ATOM 0 H GLN A 111 1.826 -1.352 -6.534 1.00 50.14 H new ATOM 0 HA GLN A 111 -0.161 -0.500 -6.856 1.00 41.21 H new ATOM 0 HB2 GLN A 111 -0.844 -3.007 -8.428 1.00 51.24 H new ATOM 0 HB3 GLN A 111 -1.869 -1.589 -8.326 1.00 51.24 H new ATOM 0 HG2 GLN A 111 0.973 -1.563 -9.435 1.00 51.20 H new ATOM 0 HG3 GLN A 111 -0.462 -1.740 -10.425 1.00 51.20 H new ATOM 0 HE21 GLN A 111 0.015 0.131 -11.644 1.00 44.40 H new ATOM 0 HE22 GLN A 111 -0.155 1.759 -10.978 1.00 44.40 H new ATOM 248 N ALA A 112 -1.420 -3.344 -5.646 1.00 63.44 N ATOM 249 CA ALA A 112 -2.184 -3.917 -4.526 1.00 14.04 C ATOM 250 C ALA A 112 -1.366 -3.821 -3.220 1.00 3.42 C ATOM 251 O ALA A 112 -0.300 -4.447 -3.102 1.00 43.50 O ATOM 252 CB ALA A 112 -2.573 -5.375 -4.836 1.00 11.13 C ATOM 0 H ALA A 112 -1.115 -4.034 -6.332 1.00 63.44 H new ATOM 0 HA ALA A 112 -3.103 -3.346 -4.392 1.00 14.04 H new ATOM 0 HB1 ALA A 112 -3.138 -5.787 -3.999 1.00 11.13 H new ATOM 0 HB2 ALA A 112 -3.186 -5.404 -5.737 1.00 11.13 H new ATOM 0 HB3 ALA A 112 -1.671 -5.967 -4.991 1.00 11.13 H new ATOM 258 N CYS A 113 -1.852 -2.998 -2.269 1.00 12.42 N ATOM 259 CA CYS A 113 -1.203 -2.797 -0.961 1.00 44.42 C ATOM 260 C CYS A 113 -1.334 -4.059 -0.087 1.00 3.12 C ATOM 261 O CYS A 113 -2.396 -4.697 -0.064 1.00 2.45 O ATOM 262 CB CYS A 113 -1.823 -1.584 -0.245 1.00 52.14 C ATOM 263 SG CYS A 113 -1.120 -1.220 1.397 1.00 3.43 S ATOM 0 H CYS A 113 -2.707 -2.454 -2.388 1.00 12.42 H new ATOM 0 HA CYS A 113 -0.143 -2.606 -1.127 1.00 44.42 H new ATOM 0 HB2 CYS A 113 -1.702 -0.706 -0.879 1.00 52.14 H new ATOM 0 HB3 CYS A 113 -2.894 -1.753 -0.136 1.00 52.14 H new ATOM 268 N SER A 114 -0.250 -4.385 0.637 1.00 30.34 N ATOM 269 CA SER A 114 -0.140 -5.611 1.445 1.00 4.33 C ATOM 270 C SER A 114 -1.147 -5.617 2.617 1.00 43.32 C ATOM 271 O SER A 114 -1.894 -6.589 2.809 1.00 31.52 O ATOM 272 CB SER A 114 1.310 -5.744 1.961 1.00 32.24 C ATOM 273 OG SER A 114 2.239 -5.674 0.886 1.00 51.22 O ATOM 0 H SER A 114 0.583 -3.798 0.678 1.00 30.34 H new ATOM 0 HA SER A 114 -0.385 -6.468 0.818 1.00 4.33 H new ATOM 0 HB2 SER A 114 1.519 -4.952 2.680 1.00 32.24 H new ATOM 0 HB3 SER A 114 1.428 -6.691 2.488 1.00 32.24 H new ATOM 0 HG SER A 114 3.151 -5.759 1.235 1.00 51.22 H new ATOM 279 N TYR A 115 -1.166 -4.514 3.384 1.00 32.50 N ATOM 280 CA TYR A 115 -2.083 -4.342 4.532 1.00 2.14 C ATOM 281 C TYR A 115 -3.467 -3.831 4.069 1.00 60.40 C ATOM 282 O TYR A 115 -4.455 -3.951 4.808 1.00 72.45 O ATOM 283 CB TYR A 115 -1.468 -3.367 5.565 1.00 1.01 C ATOM 284 CG TYR A 115 -0.153 -3.855 6.201 1.00 2.11 C ATOM 285 CD1 TYR A 115 1.090 -3.499 5.666 1.00 61.40 C ATOM 286 CD2 TYR A 115 -0.155 -4.662 7.345 1.00 24.02 C ATOM 287 CE1 TYR A 115 2.271 -3.924 6.245 1.00 44.51 C ATOM 288 CE2 TYR A 115 1.027 -5.088 7.924 1.00 14.25 C ATOM 289 CZ TYR A 115 2.236 -4.715 7.372 1.00 25.22 C ATOM 290 OH TYR A 115 3.417 -5.135 7.952 1.00 53.15 O ATOM 0 H TYR A 115 -0.549 -3.716 3.229 1.00 32.50 H new ATOM 0 HA TYR A 115 -2.224 -5.315 5.002 1.00 2.14 H new ATOM 0 HB2 TYR A 115 -1.287 -2.409 5.078 1.00 1.01 H new ATOM 0 HB3 TYR A 115 -2.196 -3.190 6.357 1.00 1.01 H new ATOM 0 HD1 TYR A 115 1.127 -2.879 4.782 1.00 61.40 H new ATOM 0 HD2 TYR A 115 -1.097 -4.957 7.784 1.00 24.02 H new ATOM 0 HE1 TYR A 115 3.219 -3.637 5.815 1.00 44.51 H new ATOM 0 HE2 TYR A 115 1.004 -5.711 8.806 1.00 14.25 H new ATOM 0 HH TYR A 115 3.218 -5.684 8.739 1.00 53.15 H new ATOM 300 N GLY A 116 -3.518 -3.262 2.847 1.00 33.14 N ATOM 301 CA GLY A 116 -4.757 -2.734 2.274 1.00 2.45 C ATOM 302 C GLY A 116 -5.189 -1.433 2.937 1.00 54.22 C ATOM 303 O GLY A 116 -4.446 -0.454 2.913 1.00 71.12 O ATOM 0 H GLY A 116 -2.705 -3.160 2.240 1.00 33.14 H new ATOM 0 HA2 GLY A 116 -4.619 -2.567 1.206 1.00 2.45 H new ATOM 0 HA3 GLY A 116 -5.549 -3.475 2.381 1.00 2.45 H new ATOM 307 N ASP A 117 -6.383 -1.431 3.549 1.00 74.32 N ATOM 308 CA ASP A 117 -6.923 -0.258 4.274 1.00 3.12 C ATOM 309 C ASP A 117 -6.253 -0.098 5.650 1.00 44.43 C ATOM 310 O ASP A 117 -6.307 0.980 6.248 1.00 32.42 O ATOM 311 CB ASP A 117 -8.460 -0.373 4.431 1.00 73.53 C ATOM 312 CG ASP A 117 -9.195 -0.366 3.082 1.00 61.34 C ATOM 313 OD1 ASP A 117 -9.533 0.731 2.578 1.00 21.32 O ATOM 314 OD2 ASP A 117 -9.427 -1.455 2.508 1.00 74.33 O ATOM 0 H ASP A 117 -7.005 -2.239 3.558 1.00 74.32 H new ATOM 0 HA ASP A 117 -6.699 0.631 3.684 1.00 3.12 H new ATOM 0 HB2 ASP A 117 -8.699 -1.292 4.966 1.00 73.53 H new ATOM 0 HB3 ASP A 117 -8.822 0.454 5.042 1.00 73.53 H new ATOM 319 N GLN A 118 -5.608 -1.182 6.135 1.00 42.25 N ATOM 320 CA GLN A 118 -4.837 -1.179 7.401 1.00 62.41 C ATOM 321 C GLN A 118 -3.403 -0.633 7.193 1.00 61.31 C ATOM 322 O GLN A 118 -2.573 -0.689 8.112 1.00 50.23 O ATOM 323 CB GLN A 118 -4.770 -2.618 7.983 1.00 14.01 C ATOM 324 CG GLN A 118 -6.136 -3.250 8.298 1.00 45.13 C ATOM 325 CD GLN A 118 -6.018 -4.660 8.883 1.00 2.35 C ATOM 326 OE1 GLN A 118 -6.005 -5.651 8.153 1.00 61.04 O ATOM 327 NE2 GLN A 118 -5.913 -4.759 10.201 1.00 14.14 N ATOM 0 H GLN A 118 -5.606 -2.085 5.660 1.00 42.25 H new ATOM 0 HA GLN A 118 -5.350 -0.521 8.102 1.00 62.41 H new ATOM 0 HB2 GLN A 118 -4.244 -3.258 7.274 1.00 14.01 H new ATOM 0 HB3 GLN A 118 -4.175 -2.598 8.896 1.00 14.01 H new ATOM 0 HG2 GLN A 118 -6.672 -2.613 9.002 1.00 45.13 H new ATOM 0 HG3 GLN A 118 -6.732 -3.289 7.386 1.00 45.13 H new ATOM 0 HE21 GLN A 118 -5.927 -3.918 10.778 1.00 14.14 H new ATOM 0 HE22 GLN A 118 -5.818 -5.676 10.638 1.00 14.14 H new ATOM 336 N CYS A 119 -3.118 -0.125 5.977 1.00 4.42 N ATOM 337 CA CYS A 119 -1.803 0.414 5.606 1.00 55.13 C ATOM 338 C CYS A 119 -1.501 1.710 6.383 1.00 22.14 C ATOM 339 O CYS A 119 -2.362 2.593 6.494 1.00 20.13 O ATOM 340 CB CYS A 119 -1.771 0.663 4.090 1.00 54.01 C ATOM 341 SG CYS A 119 -0.171 1.203 3.424 1.00 53.12 S ATOM 0 H CYS A 119 -3.802 -0.079 5.222 1.00 4.42 H new ATOM 0 HA CYS A 119 -1.031 -0.310 5.867 1.00 55.13 H new ATOM 0 HB2 CYS A 119 -2.066 -0.255 3.582 1.00 54.01 H new ATOM 0 HB3 CYS A 119 -2.520 1.417 3.847 1.00 54.01 H new ATOM 346 N ARG A 120 -0.282 1.793 6.934 1.00 41.01 N ATOM 347 CA ARG A 120 0.177 2.947 7.728 1.00 62.51 C ATOM 348 C ARG A 120 0.912 3.983 6.853 1.00 62.24 C ATOM 349 O ARG A 120 1.532 4.903 7.378 1.00 23.44 O ATOM 350 CB ARG A 120 1.089 2.458 8.887 1.00 15.34 C ATOM 351 CG ARG A 120 2.395 1.757 8.441 1.00 24.33 C ATOM 352 CD ARG A 120 3.260 1.305 9.629 1.00 62.23 C ATOM 353 NE ARG A 120 2.539 0.364 10.513 1.00 72.41 N ATOM 354 CZ ARG A 120 2.509 0.420 11.857 1.00 12.04 C ATOM 355 NH1 ARG A 120 3.158 1.372 12.519 1.00 41.11 N ATOM 356 NH2 ARG A 120 1.821 -0.487 12.532 1.00 64.33 N ATOM 0 H ARG A 120 0.419 1.058 6.842 1.00 41.01 H new ATOM 0 HA ARG A 120 -0.699 3.443 8.147 1.00 62.51 H new ATOM 0 HB2 ARG A 120 1.348 3.313 9.511 1.00 15.34 H new ATOM 0 HB3 ARG A 120 0.520 1.769 9.511 1.00 15.34 H new ATOM 0 HG2 ARG A 120 2.147 0.891 7.827 1.00 24.33 H new ATOM 0 HG3 ARG A 120 2.972 2.437 7.814 1.00 24.33 H new ATOM 0 HD2 ARG A 120 4.167 0.830 9.257 1.00 62.23 H new ATOM 0 HD3 ARG A 120 3.570 2.177 10.204 1.00 62.23 H new ATOM 0 HE ARG A 120 2.020 -0.392 10.066 1.00 72.41 H new ATOM 0 HH11 ARG A 120 3.690 2.076 12.008 1.00 41.11 H new ATOM 0 HH12 ARG A 120 3.124 1.399 13.538 1.00 41.11 H new ATOM 0 HH21 ARG A 120 1.319 -1.221 12.033 1.00 64.33 H new ATOM 0 HH22 ARG A 120 1.793 -0.452 13.551 1.00 64.33 H new ATOM 370 N PHE A 121 0.844 3.825 5.518 1.00 60.35 N ATOM 371 CA PHE A 121 1.443 4.774 4.554 1.00 44.54 C ATOM 372 C PHE A 121 0.430 5.123 3.450 1.00 31.22 C ATOM 373 O PHE A 121 -0.354 4.270 3.025 1.00 40.52 O ATOM 374 CB PHE A 121 2.754 4.205 3.951 1.00 35.44 C ATOM 375 CG PHE A 121 3.930 4.179 4.930 1.00 3.31 C ATOM 376 CD1 PHE A 121 4.379 2.988 5.503 1.00 54.13 C ATOM 377 CD2 PHE A 121 4.578 5.365 5.283 1.00 13.45 C ATOM 378 CE1 PHE A 121 5.436 2.985 6.393 1.00 14.11 C ATOM 379 CE2 PHE A 121 5.634 5.359 6.172 1.00 0.53 C ATOM 380 CZ PHE A 121 6.064 4.169 6.726 1.00 24.45 C ATOM 0 H PHE A 121 0.373 3.036 5.075 1.00 60.35 H new ATOM 0 HA PHE A 121 1.699 5.690 5.087 1.00 44.54 H new ATOM 0 HB2 PHE A 121 2.568 3.192 3.595 1.00 35.44 H new ATOM 0 HB3 PHE A 121 3.031 4.802 3.082 1.00 35.44 H new ATOM 0 HD1 PHE A 121 3.894 2.057 5.248 1.00 54.13 H new ATOM 0 HD2 PHE A 121 4.248 6.300 4.854 1.00 13.45 H new ATOM 0 HE1 PHE A 121 5.771 2.055 6.829 1.00 14.11 H new ATOM 0 HE2 PHE A 121 6.124 6.285 6.434 1.00 0.53 H new ATOM 0 HZ PHE A 121 6.892 4.164 7.420 1.00 24.45 H new ATOM 390 N ALA A 122 0.507 6.378 2.979 1.00 34.12 N ATOM 391 CA ALA A 122 -0.498 7.007 2.099 1.00 0.10 C ATOM 392 C ALA A 122 -0.589 6.349 0.708 1.00 4.43 C ATOM 393 O ALA A 122 0.427 6.037 0.093 1.00 52.30 O ATOM 394 CB ALA A 122 -0.162 8.497 1.955 1.00 60.53 C ATOM 0 H ALA A 122 1.285 6.999 3.202 1.00 34.12 H new ATOM 0 HA ALA A 122 -1.474 6.870 2.564 1.00 0.10 H new ATOM 0 HB1 ALA A 122 -0.897 8.975 1.307 1.00 60.53 H new ATOM 0 HB2 ALA A 122 -0.181 8.971 2.936 1.00 60.53 H new ATOM 0 HB3 ALA A 122 0.831 8.606 1.519 1.00 60.53 H new ATOM 400 N HIS A 123 -1.826 6.169 0.211 1.00 74.25 N ATOM 401 CA HIS A 123 -2.095 5.630 -1.145 1.00 2.51 C ATOM 402 C HIS A 123 -2.362 6.779 -2.139 1.00 15.22 C ATOM 403 O HIS A 123 -3.047 6.600 -3.155 1.00 0.12 O ATOM 404 CB HIS A 123 -3.311 4.656 -1.092 1.00 62.41 C ATOM 405 CG HIS A 123 -3.079 3.398 -0.296 1.00 72.42 C ATOM 406 ND1 HIS A 123 -4.041 2.447 -0.071 1.00 72.15 N ATOM 407 CD2 HIS A 123 -1.950 2.929 0.294 1.00 15.24 C ATOM 408 CE1 HIS A 123 -3.480 1.450 0.619 1.00 13.32 C ATOM 409 NE2 HIS A 123 -2.195 1.692 0.869 1.00 3.24 N ATOM 0 H HIS A 123 -2.672 6.392 0.735 1.00 74.25 H new ATOM 0 HA HIS A 123 -1.219 5.081 -1.490 1.00 2.51 H new ATOM 0 HB2 HIS A 123 -4.164 5.185 -0.668 1.00 62.41 H new ATOM 0 HB3 HIS A 123 -3.582 4.380 -2.111 1.00 62.41 H new ATOM 0 HD1 HIS A 123 -5.013 2.493 -0.376 1.00 72.15 H new ATOM 0 HD2 HIS A 123 -1.001 3.444 0.313 1.00 15.24 H new ATOM 0 HE1 HIS A 123 -4.003 0.559 0.934 1.00 13.32 H new ATOM 417 N GLY A 124 -1.773 7.948 -1.850 1.00 15.33 N ATOM 418 CA GLY A 124 -1.980 9.161 -2.634 1.00 52.33 C ATOM 419 C GLY A 124 -1.934 10.404 -1.761 1.00 70.11 C ATOM 420 O GLY A 124 -1.744 10.302 -0.541 1.00 32.34 O ATOM 0 H GLY A 124 -1.138 8.073 -1.062 1.00 15.33 H new ATOM 0 HA2 GLY A 124 -1.215 9.230 -3.408 1.00 52.33 H new ATOM 0 HA3 GLY A 124 -2.943 9.107 -3.142 1.00 52.33 H new ATOM 424 N VAL A 125 -2.147 11.576 -2.386 1.00 55.42 N ATOM 425 CA VAL A 125 -2.038 12.891 -1.714 1.00 31.13 C ATOM 426 C VAL A 125 -3.180 13.114 -0.685 1.00 3.22 C ATOM 427 O VAL A 125 -3.024 13.895 0.265 1.00 62.22 O ATOM 428 CB VAL A 125 -2.003 14.062 -2.771 1.00 60.13 C ATOM 429 CG1 VAL A 125 -3.335 14.179 -3.553 1.00 4.42 C ATOM 430 CG2 VAL A 125 -1.602 15.413 -2.122 1.00 73.32 C ATOM 0 H VAL A 125 -2.400 11.642 -3.372 1.00 55.42 H new ATOM 0 HA VAL A 125 -1.098 12.894 -1.163 1.00 31.13 H new ATOM 0 HB VAL A 125 -1.229 13.809 -3.495 1.00 60.13 H new ATOM 0 HG11 VAL A 125 -3.266 14.998 -4.269 1.00 4.42 H new ATOM 0 HG12 VAL A 125 -3.528 13.247 -4.085 1.00 4.42 H new ATOM 0 HG13 VAL A 125 -4.150 14.375 -2.856 1.00 4.42 H new ATOM 0 HG21 VAL A 125 -1.590 16.193 -2.883 1.00 73.32 H new ATOM 0 HG22 VAL A 125 -2.324 15.673 -1.348 1.00 73.32 H new ATOM 0 HG23 VAL A 125 -0.610 15.323 -1.678 1.00 73.32 H new ATOM 440 N HIS A 126 -4.301 12.383 -0.866 1.00 24.24 N ATOM 441 CA HIS A 126 -5.501 12.505 -0.013 1.00 34.00 C ATOM 442 C HIS A 126 -5.198 12.108 1.453 1.00 11.30 C ATOM 443 O HIS A 126 -5.717 12.729 2.386 1.00 54.05 O ATOM 444 CB HIS A 126 -6.666 11.656 -0.599 1.00 51.15 C ATOM 445 CG HIS A 126 -6.427 10.160 -0.617 1.00 33.42 C ATOM 446 ND1 HIS A 126 -5.310 9.621 -1.209 1.00 43.12 N ATOM 447 CD2 HIS A 126 -7.170 9.151 -0.087 1.00 61.44 C ATOM 448 CE1 HIS A 126 -5.397 8.315 -1.026 1.00 14.51 C ATOM 449 NE2 HIS A 126 -6.504 7.982 -0.352 1.00 12.14 N ATOM 0 H HIS A 126 -4.399 11.691 -1.609 1.00 24.24 H new ATOM 0 HA HIS A 126 -5.808 13.551 -0.004 1.00 34.00 H new ATOM 0 HB2 HIS A 126 -7.568 11.857 -0.021 1.00 51.15 H new ATOM 0 HB3 HIS A 126 -6.860 11.989 -1.618 1.00 51.15 H new ATOM 0 HD2 HIS A 126 -8.106 9.252 0.442 1.00 61.44 H new ATOM 0 HE1 HIS A 126 -4.664 7.604 -1.377 1.00 14.51 H new ATOM 0 HE2 HIS A 126 -6.796 7.041 -0.087 1.00 12.14 H new ATOM 457 N GLU A 127 -4.353 11.072 1.634 1.00 34.52 N ATOM 458 CA GLU A 127 -3.877 10.631 2.967 1.00 2.11 C ATOM 459 C GLU A 127 -2.519 11.267 3.311 1.00 14.15 C ATOM 460 O GLU A 127 -2.148 11.343 4.489 1.00 2.32 O ATOM 461 CB GLU A 127 -3.737 9.085 3.018 1.00 51.02 C ATOM 462 CG GLU A 127 -5.046 8.303 2.844 1.00 53.54 C ATOM 463 CD GLU A 127 -4.836 6.778 2.900 1.00 4.53 C ATOM 464 OE1 GLU A 127 -4.386 6.191 1.892 1.00 32.31 O ATOM 465 OE2 GLU A 127 -5.115 6.156 3.949 1.00 43.21 O ATOM 0 H GLU A 127 -3.981 10.517 0.864 1.00 34.52 H new ATOM 0 HA GLU A 127 -4.618 10.955 3.698 1.00 2.11 H new ATOM 0 HB2 GLU A 127 -3.041 8.774 2.239 1.00 51.02 H new ATOM 0 HB3 GLU A 127 -3.292 8.808 3.974 1.00 51.02 H new ATOM 0 HG2 GLU A 127 -5.748 8.598 3.624 1.00 53.54 H new ATOM 0 HG3 GLU A 127 -5.500 8.569 1.889 1.00 53.54 H new ATOM 472 N LEU A 128 -1.773 11.702 2.275 1.00 22.31 N ATOM 473 CA LEU A 128 -0.383 12.157 2.438 1.00 43.12 C ATOM 474 C LEU A 128 -0.319 13.522 3.143 1.00 4.30 C ATOM 475 O LEU A 128 -0.716 14.546 2.583 1.00 63.01 O ATOM 476 CB LEU A 128 0.332 12.233 1.059 1.00 41.20 C ATOM 477 CG LEU A 128 1.856 12.590 1.078 1.00 72.10 C ATOM 478 CD1 LEU A 128 2.672 11.521 1.832 1.00 40.14 C ATOM 479 CD2 LEU A 128 2.401 12.806 -0.355 1.00 63.31 C ATOM 0 H LEU A 128 -2.114 11.747 1.315 1.00 22.31 H new ATOM 0 HA LEU A 128 0.132 11.428 3.064 1.00 43.12 H new ATOM 0 HB2 LEU A 128 0.214 11.271 0.561 1.00 41.20 H new ATOM 0 HB3 LEU A 128 -0.184 12.974 0.448 1.00 41.20 H new ATOM 0 HG LEU A 128 1.967 13.531 1.618 1.00 72.10 H new ATOM 0 HD11 LEU A 128 3.726 11.798 1.827 1.00 40.14 H new ATOM 0 HD12 LEU A 128 2.319 11.453 2.861 1.00 40.14 H new ATOM 0 HD13 LEU A 128 2.548 10.556 1.341 1.00 40.14 H new ATOM 0 HD21 LEU A 128 3.462 13.052 -0.308 1.00 63.31 H new ATOM 0 HD22 LEU A 128 2.266 11.894 -0.937 1.00 63.31 H new ATOM 0 HD23 LEU A 128 1.860 13.624 -0.831 1.00 63.31 H new ATOM 491 N ARG A 129 0.171 13.505 4.387 1.00 43.34 N ATOM 492 CA ARG A 129 0.594 14.700 5.123 1.00 53.44 C ATOM 493 C ARG A 129 2.078 14.511 5.448 1.00 62.51 C ATOM 494 O ARG A 129 2.431 13.927 6.478 1.00 1.22 O ATOM 495 CB ARG A 129 -0.260 14.953 6.411 1.00 62.43 C ATOM 496 CG ARG A 129 -1.575 15.748 6.194 1.00 3.42 C ATOM 497 CD ARG A 129 -2.668 14.986 5.420 1.00 23.00 C ATOM 498 NE ARG A 129 -3.164 13.811 6.162 1.00 12.53 N ATOM 499 CZ ARG A 129 -4.369 13.234 5.993 1.00 41.41 C ATOM 500 NH1 ARG A 129 -5.236 13.708 5.104 1.00 32.43 N ATOM 501 NH2 ARG A 129 -4.697 12.178 6.717 1.00 40.14 N ATOM 0 H ARG A 129 0.287 12.643 4.920 1.00 43.34 H new ATOM 0 HA ARG A 129 0.439 15.590 4.513 1.00 53.44 H new ATOM 0 HB2 ARG A 129 -0.507 13.990 6.857 1.00 62.43 H new ATOM 0 HB3 ARG A 129 0.354 15.490 7.134 1.00 62.43 H new ATOM 0 HG2 ARG A 129 -1.973 16.038 7.166 1.00 3.42 H new ATOM 0 HG3 ARG A 129 -1.343 16.668 5.657 1.00 3.42 H new ATOM 0 HD2 ARG A 129 -3.500 15.659 5.213 1.00 23.00 H new ATOM 0 HD3 ARG A 129 -2.271 14.664 4.457 1.00 23.00 H new ATOM 0 HE ARG A 129 -2.543 13.402 6.860 1.00 12.53 H new ATOM 0 HH11 ARG A 129 -4.993 14.521 4.537 1.00 32.43 H new ATOM 0 HH12 ARG A 129 -6.145 13.259 4.988 1.00 32.43 H new ATOM 0 HH21 ARG A 129 -4.039 11.804 7.400 1.00 40.14 H new ATOM 0 HH22 ARG A 129 -5.609 11.738 6.593 1.00 40.14 H new ATOM 515 N LEU A 130 2.929 14.948 4.502 1.00 41.33 N ATOM 516 CA LEU A 130 4.398 14.803 4.575 1.00 41.14 C ATOM 517 C LEU A 130 4.987 15.544 5.808 1.00 44.41 C ATOM 518 O LEU A 130 4.337 16.464 6.319 1.00 61.43 O ATOM 519 CB LEU A 130 5.023 15.274 3.211 1.00 13.14 C ATOM 520 CG LEU A 130 4.608 16.696 2.662 1.00 13.11 C ATOM 521 CD1 LEU A 130 5.375 17.856 3.343 1.00 2.12 C ATOM 522 CD2 LEU A 130 4.749 16.767 1.121 1.00 70.34 C ATOM 0 H LEU A 130 2.614 15.418 3.654 1.00 41.33 H new ATOM 0 HA LEU A 130 4.659 13.755 4.723 1.00 41.14 H new ATOM 0 HB2 LEU A 130 6.108 15.260 3.317 1.00 13.14 H new ATOM 0 HB3 LEU A 130 4.767 14.534 2.452 1.00 13.14 H new ATOM 0 HG LEU A 130 3.557 16.826 2.919 1.00 13.11 H new ATOM 0 HD11 LEU A 130 5.045 18.806 2.923 1.00 2.12 H new ATOM 0 HD12 LEU A 130 5.176 17.844 4.415 1.00 2.12 H new ATOM 0 HD13 LEU A 130 6.445 17.735 3.172 1.00 2.12 H new ATOM 0 HD21 LEU A 130 4.456 17.758 0.774 1.00 70.34 H new ATOM 0 HD22 LEU A 130 5.785 16.576 0.841 1.00 70.34 H new ATOM 0 HD23 LEU A 130 4.105 16.017 0.662 1.00 70.34 H new ATOM 534 N PRO A 131 6.202 15.127 6.327 1.00 2.34 N ATOM 535 CA PRO A 131 6.864 15.794 7.481 1.00 53.21 C ATOM 536 C PRO A 131 7.000 17.320 7.287 1.00 50.42 C ATOM 537 O PRO A 131 7.693 17.782 6.374 1.00 2.43 O ATOM 538 CB PRO A 131 8.251 15.104 7.550 1.00 40.32 C ATOM 539 CG PRO A 131 8.015 13.746 6.967 1.00 15.15 C ATOM 540 CD PRO A 131 7.004 13.956 5.857 1.00 42.23 C ATOM 0 HA PRO A 131 6.287 15.692 8.400 1.00 53.21 H new ATOM 0 HB2 PRO A 131 8.999 15.657 6.982 1.00 40.32 H new ATOM 0 HB3 PRO A 131 8.613 15.039 8.576 1.00 40.32 H new ATOM 0 HG2 PRO A 131 8.940 13.318 6.580 1.00 15.15 H new ATOM 0 HG3 PRO A 131 7.635 13.056 7.720 1.00 15.15 H new ATOM 0 HD2 PRO A 131 7.492 14.161 4.904 1.00 42.23 H new ATOM 0 HD3 PRO A 131 6.379 13.075 5.712 1.00 42.23 H new ATOM 548 N MET A 132 6.284 18.080 8.127 1.00 14.32 N ATOM 549 CA MET A 132 6.235 19.550 8.078 1.00 65.44 C ATOM 550 C MET A 132 6.882 20.134 9.342 1.00 15.02 C ATOM 551 O MET A 132 6.597 19.682 10.459 1.00 3.11 O ATOM 552 CB MET A 132 4.763 20.023 7.944 1.00 1.51 C ATOM 553 CG MET A 132 4.123 19.735 6.575 1.00 3.01 C ATOM 554 SD MET A 132 2.327 19.943 6.576 1.00 33.54 S ATOM 555 CE MET A 132 1.834 18.609 7.668 1.00 24.51 C ATOM 0 H MET A 132 5.712 17.685 8.873 1.00 14.32 H new ATOM 0 HA MET A 132 6.791 19.904 7.210 1.00 65.44 H new ATOM 0 HB2 MET A 132 4.167 19.540 8.718 1.00 1.51 H new ATOM 0 HB3 MET A 132 4.721 21.096 8.132 1.00 1.51 H new ATOM 0 HG2 MET A 132 4.560 20.399 5.829 1.00 3.01 H new ATOM 0 HG3 MET A 132 4.365 18.716 6.274 1.00 3.01 H new ATOM 0 HE1 MET A 132 0.852 18.241 7.372 1.00 24.51 H new ATOM 0 HE2 MET A 132 2.560 17.798 7.603 1.00 24.51 H new ATOM 0 HE3 MET A 132 1.790 18.976 8.694 1.00 24.51 H new ATOM 565 N ASN A 133 7.760 21.127 9.145 1.00 50.43 N ATOM 566 CA ASN A 133 8.434 21.856 10.235 1.00 23.15 C ATOM 567 C ASN A 133 7.430 22.774 10.971 1.00 23.35 C ATOM 568 O ASN A 133 6.474 23.255 10.342 1.00 42.55 O ATOM 569 CB ASN A 133 9.614 22.696 9.661 1.00 32.24 C ATOM 570 CG ASN A 133 10.733 21.849 9.048 1.00 64.13 C ATOM 571 OD1 ASN A 133 11.001 20.732 9.494 1.00 30.34 O ATOM 572 ND2 ASN A 133 11.394 22.370 8.020 1.00 23.52 N ATOM 0 H ASN A 133 8.027 21.452 8.216 1.00 50.43 H new ATOM 0 HA ASN A 133 8.829 21.134 10.950 1.00 23.15 H new ATOM 0 HB2 ASN A 133 9.228 23.376 8.902 1.00 32.24 H new ATOM 0 HB3 ASN A 133 10.031 23.311 10.458 1.00 32.24 H new ATOM 0 HD21 ASN A 133 12.147 21.843 7.577 1.00 23.52 H new ATOM 0 HD22 ASN A 133 11.149 23.297 7.673 1.00 23.52 H new ATOM 579 N PRO A 134 7.619 23.024 12.310 1.00 14.34 N ATOM 580 CA PRO A 134 6.732 23.921 13.095 1.00 41.41 C ATOM 581 C PRO A 134 6.739 25.370 12.542 1.00 22.04 C ATOM 582 O PRO A 134 7.812 25.956 12.322 1.00 5.30 O ATOM 583 CB PRO A 134 7.314 23.840 14.535 1.00 73.43 C ATOM 584 CG PRO A 134 8.727 23.371 14.355 1.00 21.54 C ATOM 585 CD PRO A 134 8.693 22.442 13.167 1.00 1.24 C ATOM 0 HA PRO A 134 5.685 23.622 13.051 1.00 41.41 H new ATOM 0 HB2 PRO A 134 7.280 24.811 15.030 1.00 73.43 H new ATOM 0 HB3 PRO A 134 6.743 23.147 15.153 1.00 73.43 H new ATOM 0 HG2 PRO A 134 9.400 24.210 14.178 1.00 21.54 H new ATOM 0 HG3 PRO A 134 9.087 22.856 15.246 1.00 21.54 H new ATOM 0 HD2 PRO A 134 9.652 22.416 12.649 1.00 1.24 H new ATOM 0 HD3 PRO A 134 8.462 21.419 13.463 1.00 1.24 H new ATOM 593 N ARG A 135 5.534 25.914 12.294 1.00 3.53 N ATOM 594 CA ARG A 135 5.350 27.244 11.689 1.00 12.03 C ATOM 595 C ARG A 135 5.676 28.351 12.712 1.00 51.11 C ATOM 596 O ARG A 135 4.858 28.662 13.588 1.00 41.33 O ATOM 597 CB ARG A 135 3.899 27.403 11.153 1.00 21.13 C ATOM 598 CG ARG A 135 3.503 26.380 10.061 1.00 64.11 C ATOM 599 CD ARG A 135 2.075 26.606 9.529 1.00 13.41 C ATOM 600 NE ARG A 135 1.710 25.631 8.482 1.00 44.13 N ATOM 601 CZ ARG A 135 0.480 25.485 7.945 1.00 11.24 C ATOM 602 NH1 ARG A 135 -0.538 26.252 8.340 1.00 75.01 N ATOM 603 NH2 ARG A 135 0.281 24.568 7.005 1.00 32.02 N ATOM 0 H ARG A 135 4.657 25.440 12.509 1.00 3.53 H new ATOM 0 HA ARG A 135 6.038 27.340 10.849 1.00 12.03 H new ATOM 0 HB2 ARG A 135 3.205 27.311 11.988 1.00 21.13 H new ATOM 0 HB3 ARG A 135 3.782 28.409 10.750 1.00 21.13 H new ATOM 0 HG2 ARG A 135 4.210 26.445 9.234 1.00 64.11 H new ATOM 0 HG3 ARG A 135 3.580 25.372 10.468 1.00 64.11 H new ATOM 0 HD2 ARG A 135 1.366 26.534 10.354 1.00 13.41 H new ATOM 0 HD3 ARG A 135 1.994 27.616 9.127 1.00 13.41 H new ATOM 0 HE ARG A 135 2.448 25.017 8.136 1.00 44.13 H new ATOM 0 HH11 ARG A 135 -0.393 26.962 9.058 1.00 75.01 H new ATOM 0 HH12 ARG A 135 -1.461 26.129 7.924 1.00 75.01 H new ATOM 0 HH21 ARG A 135 1.055 23.980 6.694 1.00 32.02 H new ATOM 0 HH22 ARG A 135 -0.645 24.451 6.594 1.00 32.02 H new ATOM 617 N GLY A 136 6.898 28.901 12.607 1.00 50.32 N ATOM 618 CA GLY A 136 7.360 29.972 13.485 1.00 4.45 C ATOM 619 C GLY A 136 7.981 29.428 14.765 1.00 43.24 C ATOM 620 O GLY A 136 7.275 28.835 15.595 1.00 3.44 O ATOM 0 H GLY A 136 7.586 28.612 11.911 1.00 50.32 H new ATOM 0 HA2 GLY A 136 8.092 30.584 12.958 1.00 4.45 H new ATOM 0 HA3 GLY A 136 6.522 30.623 13.736 1.00 4.45 H new ATOM 624 N ARG A 137 9.307 29.604 14.918 1.00 24.32 N ATOM 625 CA ARG A 137 10.035 29.173 16.126 1.00 41.23 C ATOM 626 C ARG A 137 9.993 30.269 17.204 1.00 23.24 C ATOM 627 O ARG A 137 9.865 31.466 16.898 1.00 42.03 O ATOM 628 CB ARG A 137 11.513 28.803 15.801 1.00 62.03 C ATOM 629 CG ARG A 137 12.404 29.982 15.340 1.00 73.45 C ATOM 630 CD ARG A 137 13.898 29.617 15.279 1.00 64.11 C ATOM 631 NE ARG A 137 14.737 30.786 14.950 1.00 30.30 N ATOM 632 CZ ARG A 137 16.008 30.977 15.356 1.00 5.11 C ATOM 633 NH1 ARG A 137 16.629 30.078 16.117 1.00 52.41 N ATOM 634 NH2 ARG A 137 16.654 32.078 14.999 1.00 30.22 N ATOM 0 H ARG A 137 9.899 30.045 14.214 1.00 24.32 H new ATOM 0 HA ARG A 137 9.538 28.281 16.506 1.00 41.23 H new ATOM 0 HB2 ARG A 137 11.962 28.355 16.688 1.00 62.03 H new ATOM 0 HB3 ARG A 137 11.517 28.040 15.022 1.00 62.03 H new ATOM 0 HG2 ARG A 137 12.076 30.315 14.355 1.00 73.45 H new ATOM 0 HG3 ARG A 137 12.268 30.822 16.022 1.00 73.45 H new ATOM 0 HD2 ARG A 137 14.210 29.204 16.238 1.00 64.11 H new ATOM 0 HD3 ARG A 137 14.051 28.838 14.532 1.00 64.11 H new ATOM 0 HE ARG A 137 14.320 31.511 14.366 1.00 30.30 H new ATOM 0 HH11 ARG A 137 16.143 29.228 16.402 1.00 52.41 H new ATOM 0 HH12 ARG A 137 17.591 30.239 16.415 1.00 52.41 H new ATOM 0 HH21 ARG A 137 16.189 32.777 14.419 1.00 30.22 H new ATOM 0 HH22 ARG A 137 17.616 32.227 15.304 1.00 30.22 H new ATOM 648 N ASN A 138 10.084 29.842 18.467 1.00 53.31 N ATOM 649 CA ASN A 138 10.243 30.735 19.620 1.00 30.14 C ATOM 650 C ASN A 138 11.581 30.395 20.294 1.00 2.55 C ATOM 651 O ASN A 138 11.673 29.439 21.080 1.00 21.33 O ATOM 652 CB ASN A 138 9.048 30.586 20.605 1.00 32.43 C ATOM 653 CG ASN A 138 9.084 31.556 21.799 1.00 64.34 C ATOM 654 OD1 ASN A 138 8.705 31.201 22.915 1.00 31.22 O ATOM 655 ND2 ASN A 138 9.494 32.802 21.571 1.00 25.21 N ATOM 0 H ASN A 138 10.049 28.855 18.721 1.00 53.31 H new ATOM 0 HA ASN A 138 10.249 31.776 19.298 1.00 30.14 H new ATOM 0 HB2 ASN A 138 8.119 30.739 20.056 1.00 32.43 H new ATOM 0 HB3 ASN A 138 9.030 29.564 20.983 1.00 32.43 H new ATOM 0 HD21 ASN A 138 9.498 33.484 22.329 1.00 25.21 H new ATOM 0 HD22 ASN A 138 9.804 33.074 20.638 1.00 25.21 H new ATOM 662 N HIS A 139 12.627 31.148 19.923 1.00 21.25 N ATOM 663 CA HIS A 139 13.997 30.921 20.398 1.00 31.04 C ATOM 664 C HIS A 139 14.745 32.274 20.504 1.00 25.14 C ATOM 665 O HIS A 139 15.393 32.709 19.541 1.00 22.34 O ATOM 666 CB HIS A 139 14.723 29.921 19.450 1.00 1.52 C ATOM 667 CG HIS A 139 16.105 29.503 19.904 1.00 52.41 C ATOM 668 ND1 HIS A 139 16.278 28.614 20.939 1.00 25.14 N ATOM 669 CD2 HIS A 139 17.325 29.862 19.431 1.00 44.22 C ATOM 670 CE1 HIS A 139 17.582 28.451 21.067 1.00 52.32 C ATOM 671 NE2 HIS A 139 18.254 29.188 20.175 1.00 44.03 N ATOM 0 H HIS A 139 12.544 31.936 19.281 1.00 21.25 H new ATOM 0 HA HIS A 139 13.979 30.477 21.393 1.00 31.04 H new ATOM 0 HB2 HIS A 139 14.106 29.029 19.345 1.00 1.52 H new ATOM 0 HB3 HIS A 139 14.802 30.372 18.461 1.00 1.52 H new ATOM 0 HD1 HIS A 139 15.547 28.170 21.495 1.00 25.14 H new ATOM 0 HD2 HIS A 139 17.524 30.549 18.622 1.00 44.22 H new ATOM 0 HE1 HIS A 139 18.047 27.806 21.798 1.00 52.32 H new ATOM 679 N PRO A 140 14.596 33.000 21.661 1.00 32.44 N ATOM 680 CA PRO A 140 15.383 34.227 21.952 1.00 44.45 C ATOM 681 C PRO A 140 16.756 33.915 22.604 1.00 71.53 C ATOM 682 O PRO A 140 17.564 34.825 22.840 1.00 73.15 O ATOM 683 CB PRO A 140 14.451 34.981 22.925 1.00 50.33 C ATOM 684 CG PRO A 140 13.764 33.896 23.708 1.00 63.44 C ATOM 685 CD PRO A 140 13.612 32.716 22.755 1.00 62.14 C ATOM 0 HA PRO A 140 15.643 34.791 21.056 1.00 44.45 H new ATOM 0 HB2 PRO A 140 15.015 35.646 23.579 1.00 50.33 H new ATOM 0 HB3 PRO A 140 13.731 35.598 22.387 1.00 50.33 H new ATOM 0 HG2 PRO A 140 14.350 33.617 24.583 1.00 63.44 H new ATOM 0 HG3 PRO A 140 12.792 34.232 24.069 1.00 63.44 H new ATOM 0 HD2 PRO A 140 13.831 31.771 23.252 1.00 62.14 H new ATOM 0 HD3 PRO A 140 12.595 32.645 22.368 1.00 62.14 H new ATOM 693 N LYS A 141 16.988 32.620 22.891 1.00 13.42 N ATOM 694 CA LYS A 141 18.201 32.129 23.557 1.00 55.33 C ATOM 695 C LYS A 141 19.385 32.126 22.567 1.00 33.05 C ATOM 696 O LYS A 141 19.477 31.246 21.705 1.00 5.54 O ATOM 697 CB LYS A 141 17.928 30.705 24.121 1.00 62.13 C ATOM 698 CG LYS A 141 19.080 30.073 24.933 1.00 4.20 C ATOM 699 CD LYS A 141 18.745 28.633 25.401 1.00 1.33 C ATOM 700 CE LYS A 141 19.871 27.988 26.225 1.00 43.32 C ATOM 701 NZ LYS A 141 19.551 26.588 26.609 1.00 43.42 N ATOM 0 H LYS A 141 16.326 31.878 22.662 1.00 13.42 H new ATOM 0 HA LYS A 141 18.466 32.787 24.384 1.00 55.33 H new ATOM 0 HB2 LYS A 141 17.043 30.749 24.755 1.00 62.13 H new ATOM 0 HB3 LYS A 141 17.690 30.044 23.288 1.00 62.13 H new ATOM 0 HG2 LYS A 141 19.984 30.054 24.324 1.00 4.20 H new ATOM 0 HG3 LYS A 141 19.294 30.695 25.802 1.00 4.20 H new ATOM 0 HD2 LYS A 141 17.833 28.655 25.998 1.00 1.33 H new ATOM 0 HD3 LYS A 141 18.540 28.012 24.529 1.00 1.33 H new ATOM 0 HE2 LYS A 141 20.796 28.003 25.648 1.00 43.32 H new ATOM 0 HE3 LYS A 141 20.046 28.579 27.124 1.00 43.32 H new ATOM 0 HZ1 LYS A 141 20.337 26.192 27.163 1.00 43.42 H new ATOM 0 HZ2 LYS A 141 18.683 26.575 27.181 1.00 43.42 H new ATOM 0 HZ3 LYS A 141 19.409 26.017 25.752 1.00 43.42 H new ATOM 715 N TYR A 142 20.254 33.144 22.669 1.00 33.21 N ATOM 716 CA TYR A 142 21.447 33.269 21.810 1.00 4.43 C ATOM 717 C TYR A 142 22.570 32.347 22.320 1.00 42.10 C ATOM 718 O TYR A 142 23.183 31.607 21.543 1.00 42.42 O ATOM 719 CB TYR A 142 21.925 34.741 21.754 1.00 71.42 C ATOM 720 CG TYR A 142 23.130 34.971 20.827 1.00 73.42 C ATOM 721 CD1 TYR A 142 24.393 35.288 21.333 1.00 74.14 C ATOM 722 CD2 TYR A 142 22.999 34.847 19.442 1.00 34.23 C ATOM 723 CE1 TYR A 142 25.470 35.473 20.496 1.00 44.23 C ATOM 724 CE2 TYR A 142 24.077 35.033 18.602 1.00 33.24 C ATOM 725 CZ TYR A 142 25.309 35.346 19.132 1.00 2.54 C ATOM 726 OH TYR A 142 26.387 35.520 18.297 1.00 14.25 O ATOM 0 H TYR A 142 20.152 33.901 23.345 1.00 33.21 H new ATOM 0 HA TYR A 142 21.183 32.961 20.798 1.00 4.43 H new ATOM 0 HB2 TYR A 142 21.098 35.369 21.421 1.00 71.42 H new ATOM 0 HB3 TYR A 142 22.187 35.066 22.761 1.00 71.42 H new ATOM 0 HD1 TYR A 142 24.527 35.390 22.400 1.00 74.14 H new ATOM 0 HD2 TYR A 142 22.035 34.601 19.021 1.00 34.23 H new ATOM 0 HE1 TYR A 142 26.439 35.717 20.906 1.00 44.23 H new ATOM 0 HE2 TYR A 142 23.956 34.934 17.533 1.00 33.24 H new ATOM 0 HH TYR A 142 26.104 35.395 17.367 1.00 14.25 H new ATOM 736 N LYS A 143 22.836 32.419 23.634 1.00 70.32 N ATOM 737 CA LYS A 143 23.798 31.537 24.308 1.00 73.52 C ATOM 738 C LYS A 143 23.127 30.165 24.509 1.00 73.04 C ATOM 739 O LYS A 143 22.336 29.995 25.439 1.00 71.13 O ATOM 740 CB LYS A 143 24.239 32.148 25.672 1.00 60.21 C ATOM 741 CG LYS A 143 24.724 33.616 25.624 1.00 22.32 C ATOM 742 CD LYS A 143 25.953 33.836 24.718 1.00 1.13 C ATOM 743 CE LYS A 143 26.483 35.281 24.797 1.00 51.34 C ATOM 744 NZ LYS A 143 25.458 36.296 24.412 1.00 31.12 N ATOM 0 H LYS A 143 22.389 33.091 24.258 1.00 70.32 H new ATOM 0 HA LYS A 143 24.696 31.424 23.700 1.00 73.52 H new ATOM 0 HB2 LYS A 143 23.401 32.084 26.366 1.00 60.21 H new ATOM 0 HB3 LYS A 143 25.040 31.533 26.083 1.00 60.21 H new ATOM 0 HG2 LYS A 143 23.908 34.247 25.273 1.00 22.32 H new ATOM 0 HG3 LYS A 143 24.967 33.942 26.635 1.00 22.32 H new ATOM 0 HD2 LYS A 143 26.744 33.144 25.007 1.00 1.13 H new ATOM 0 HD3 LYS A 143 25.688 33.604 23.686 1.00 1.13 H new ATOM 0 HE2 LYS A 143 26.824 35.483 25.812 1.00 51.34 H new ATOM 0 HE3 LYS A 143 27.350 35.381 24.144 1.00 51.34 H new ATOM 0 HZ1 LYS A 143 25.761 36.783 23.545 1.00 31.12 H new ATOM 0 HZ2 LYS A 143 24.547 35.823 24.244 1.00 31.12 H new ATOM 0 HZ3 LYS A 143 25.351 36.990 25.179 1.00 31.12 H new ATOM 758 N THR A 144 23.409 29.211 23.606 1.00 3.25 N ATOM 759 CA THR A 144 22.686 27.924 23.538 1.00 64.31 C ATOM 760 C THR A 144 23.431 26.790 24.277 1.00 0.40 C ATOM 761 O THR A 144 22.932 26.255 25.277 1.00 61.42 O ATOM 762 CB THR A 144 22.432 27.534 22.044 1.00 41.23 C ATOM 763 OG1 THR A 144 23.675 27.541 21.316 1.00 3.43 O ATOM 764 CG2 THR A 144 21.445 28.494 21.365 1.00 15.11 C ATOM 0 H THR A 144 24.142 29.307 22.903 1.00 3.25 H new ATOM 0 HA THR A 144 21.731 28.057 24.046 1.00 64.31 H new ATOM 0 HB THR A 144 21.997 26.534 22.036 1.00 41.23 H new ATOM 0 HG1 THR A 144 23.509 27.294 20.382 1.00 3.43 H new ATOM 0 HG21 THR A 144 21.295 28.189 20.329 1.00 15.11 H new ATOM 0 HG22 THR A 144 20.491 28.468 21.892 1.00 15.11 H new ATOM 0 HG23 THR A 144 21.847 29.507 21.391 1.00 15.11 H new ATOM 772 N VAL A 145 24.619 26.427 23.769 1.00 22.42 N ATOM 773 CA VAL A 145 25.434 25.309 24.297 1.00 3.45 C ATOM 774 C VAL A 145 26.469 25.855 25.298 1.00 41.03 C ATOM 775 O VAL A 145 26.862 27.014 25.197 1.00 54.34 O ATOM 776 CB VAL A 145 26.162 24.551 23.114 1.00 65.34 C ATOM 777 CG1 VAL A 145 26.963 23.316 23.603 1.00 41.12 C ATOM 778 CG2 VAL A 145 25.150 24.153 22.011 1.00 52.22 C ATOM 0 H VAL A 145 25.049 26.901 22.975 1.00 22.42 H new ATOM 0 HA VAL A 145 24.781 24.601 24.807 1.00 3.45 H new ATOM 0 HB VAL A 145 26.885 25.247 22.689 1.00 65.34 H new ATOM 0 HG11 VAL A 145 27.442 22.833 22.752 1.00 41.12 H new ATOM 0 HG12 VAL A 145 27.724 23.635 24.315 1.00 41.12 H new ATOM 0 HG13 VAL A 145 26.286 22.611 24.086 1.00 41.12 H new ATOM 0 HG21 VAL A 145 25.673 23.633 21.208 1.00 52.22 H new ATOM 0 HG22 VAL A 145 24.390 23.496 22.434 1.00 52.22 H new ATOM 0 HG23 VAL A 145 24.674 25.049 21.613 1.00 52.22 H new ATOM 788 N LEU A 146 26.886 25.023 26.269 1.00 3.31 N ATOM 789 CA LEU A 146 27.945 25.383 27.233 1.00 11.30 C ATOM 790 C LEU A 146 29.307 25.466 26.512 1.00 61.32 C ATOM 791 O LEU A 146 29.635 24.592 25.696 1.00 31.34 O ATOM 792 CB LEU A 146 27.998 24.348 28.388 1.00 31.54 C ATOM 793 CG LEU A 146 26.652 24.113 29.150 1.00 15.33 C ATOM 794 CD1 LEU A 146 26.812 23.076 30.283 1.00 63.03 C ATOM 795 CD2 LEU A 146 26.060 25.438 29.676 1.00 10.44 C ATOM 0 H LEU A 146 26.503 24.088 26.408 1.00 3.31 H new ATOM 0 HA LEU A 146 27.718 26.359 27.661 1.00 11.30 H new ATOM 0 HB2 LEU A 146 28.336 23.395 27.982 1.00 31.54 H new ATOM 0 HB3 LEU A 146 28.750 24.672 29.108 1.00 31.54 H new ATOM 0 HG LEU A 146 25.943 23.701 28.432 1.00 15.33 H new ATOM 0 HD11 LEU A 146 25.856 22.940 30.789 1.00 63.03 H new ATOM 0 HD12 LEU A 146 27.139 22.125 29.862 1.00 63.03 H new ATOM 0 HD13 LEU A 146 27.554 23.430 30.998 1.00 63.03 H new ATOM 0 HD21 LEU A 146 25.126 25.236 30.200 1.00 10.44 H new ATOM 0 HD22 LEU A 146 26.767 25.906 30.362 1.00 10.44 H new ATOM 0 HD23 LEU A 146 25.869 26.109 28.839 1.00 10.44 H new ATOM 807 N CYS A 147 30.084 26.517 26.820 1.00 31.33 N ATOM 808 CA CYS A 147 31.360 26.809 26.146 1.00 21.52 C ATOM 809 C CYS A 147 32.448 25.838 26.637 1.00 30.50 C ATOM 810 O CYS A 147 32.849 25.886 27.804 1.00 41.35 O ATOM 811 CB CYS A 147 31.751 28.280 26.424 1.00 2.04 C ATOM 812 SG CYS A 147 33.200 28.917 25.513 1.00 54.54 S ATOM 0 H CYS A 147 29.844 27.191 27.547 1.00 31.33 H new ATOM 0 HA CYS A 147 31.255 26.672 25.070 1.00 21.52 H new ATOM 0 HB2 CYS A 147 30.894 28.912 26.190 1.00 2.04 H new ATOM 0 HB3 CYS A 147 31.944 28.387 27.491 1.00 2.04 H new ATOM 817 N ASP A 148 32.921 24.971 25.718 1.00 40.42 N ATOM 818 CA ASP A 148 33.931 23.928 26.011 1.00 4.44 C ATOM 819 C ASP A 148 35.257 24.559 26.438 1.00 62.11 C ATOM 820 O ASP A 148 35.941 24.051 27.323 1.00 73.20 O ATOM 821 CB ASP A 148 34.166 23.026 24.771 1.00 4.03 C ATOM 822 CG ASP A 148 32.891 22.320 24.292 1.00 72.12 C ATOM 823 OD1 ASP A 148 32.633 21.170 24.711 1.00 21.04 O ATOM 824 OD2 ASP A 148 32.130 22.919 23.496 1.00 61.14 O ATOM 0 H ASP A 148 32.612 24.973 24.746 1.00 40.42 H new ATOM 0 HA ASP A 148 33.547 23.318 26.829 1.00 4.44 H new ATOM 0 HB2 ASP A 148 34.566 23.632 23.958 1.00 4.03 H new ATOM 0 HB3 ASP A 148 34.921 22.277 25.011 1.00 4.03 H new ATOM 829 N LYS A 149 35.586 25.687 25.801 1.00 41.05 N ATOM 830 CA LYS A 149 36.835 26.425 26.040 1.00 70.04 C ATOM 831 C LYS A 149 36.871 26.985 27.473 1.00 61.05 C ATOM 832 O LYS A 149 37.873 26.850 28.183 1.00 0.43 O ATOM 833 CB LYS A 149 36.969 27.565 24.996 1.00 53.42 C ATOM 834 CG LYS A 149 36.865 27.091 23.527 1.00 73.55 C ATOM 835 CD LYS A 149 37.939 26.034 23.166 1.00 63.21 C ATOM 836 CE LYS A 149 37.761 25.473 21.748 1.00 65.52 C ATOM 837 NZ LYS A 149 37.845 26.531 20.706 1.00 55.34 N ATOM 0 H LYS A 149 34.988 26.120 25.097 1.00 41.05 H new ATOM 0 HA LYS A 149 37.679 25.744 25.931 1.00 70.04 H new ATOM 0 HB2 LYS A 149 36.193 28.307 25.183 1.00 53.42 H new ATOM 0 HB3 LYS A 149 37.928 28.063 25.139 1.00 53.42 H new ATOM 0 HG2 LYS A 149 35.874 26.671 23.354 1.00 73.55 H new ATOM 0 HG3 LYS A 149 36.968 27.950 22.864 1.00 73.55 H new ATOM 0 HD2 LYS A 149 38.929 26.482 23.254 1.00 63.21 H new ATOM 0 HD3 LYS A 149 37.895 25.216 23.885 1.00 63.21 H new ATOM 0 HE2 LYS A 149 38.526 24.719 21.560 1.00 65.52 H new ATOM 0 HE3 LYS A 149 36.796 24.972 21.677 1.00 65.52 H new ATOM 0 HZ1 LYS A 149 37.770 26.097 19.764 1.00 55.34 H new ATOM 0 HZ2 LYS A 149 37.068 27.210 20.837 1.00 55.34 H new ATOM 0 HZ3 LYS A 149 38.756 27.027 20.787 1.00 55.34 H new ATOM 851 N PHE A 150 35.740 27.559 27.900 1.00 30.04 N ATOM 852 CA PHE A 150 35.615 28.202 29.217 1.00 74.21 C ATOM 853 C PHE A 150 35.488 27.134 30.339 1.00 40.31 C ATOM 854 O PHE A 150 35.798 27.407 31.504 1.00 75.23 O ATOM 855 CB PHE A 150 34.403 29.175 29.209 1.00 11.00 C ATOM 856 CG PHE A 150 34.371 30.145 30.391 1.00 3.35 C ATOM 857 CD1 PHE A 150 35.209 31.261 30.410 1.00 5.15 C ATOM 858 CD2 PHE A 150 33.520 29.945 31.477 1.00 1.33 C ATOM 859 CE1 PHE A 150 35.195 32.137 31.473 1.00 3.33 C ATOM 860 CE2 PHE A 150 33.508 30.828 32.541 1.00 24.32 C ATOM 861 CZ PHE A 150 34.346 31.922 32.539 1.00 71.02 C ATOM 0 H PHE A 150 34.885 27.592 27.344 1.00 30.04 H new ATOM 0 HA PHE A 150 36.516 28.780 29.424 1.00 74.21 H new ATOM 0 HB2 PHE A 150 34.418 29.749 28.283 1.00 11.00 H new ATOM 0 HB3 PHE A 150 33.483 28.591 29.207 1.00 11.00 H new ATOM 0 HD1 PHE A 150 35.877 31.440 29.581 1.00 5.15 H new ATOM 0 HD2 PHE A 150 32.861 29.089 31.487 1.00 1.33 H new ATOM 0 HE1 PHE A 150 35.851 32.995 31.472 1.00 3.33 H new ATOM 0 HE2 PHE A 150 32.842 30.660 33.374 1.00 24.32 H new ATOM 0 HZ PHE A 150 34.338 32.610 33.371 1.00 71.02 H new ATOM 871 N SER A 151 35.032 25.921 29.969 1.00 62.55 N ATOM 872 CA SER A 151 34.867 24.799 30.914 1.00 32.52 C ATOM 873 C SER A 151 36.186 24.015 31.126 1.00 22.34 C ATOM 874 O SER A 151 36.495 23.608 32.253 1.00 65.23 O ATOM 875 CB SER A 151 33.752 23.855 30.406 1.00 43.53 C ATOM 876 OG SER A 151 32.515 24.540 30.273 1.00 32.13 O ATOM 0 H SER A 151 34.769 25.692 29.011 1.00 62.55 H new ATOM 0 HA SER A 151 34.585 25.214 31.882 1.00 32.52 H new ATOM 0 HB2 SER A 151 34.041 23.432 29.444 1.00 43.53 H new ATOM 0 HB3 SER A 151 33.636 23.021 31.098 1.00 43.53 H new ATOM 0 HG SER A 151 32.520 25.066 29.446 1.00 32.13 H new ATOM 882 N MET A 152 36.961 23.808 30.038 1.00 53.33 N ATOM 883 CA MET A 152 38.176 22.950 30.061 1.00 63.20 C ATOM 884 C MET A 152 39.438 23.760 30.399 1.00 10.55 C ATOM 885 O MET A 152 40.180 23.408 31.325 1.00 75.45 O ATOM 886 CB MET A 152 38.366 22.217 28.700 1.00 63.31 C ATOM 887 CG MET A 152 37.238 21.242 28.326 1.00 73.12 C ATOM 888 SD MET A 152 37.575 20.313 26.808 1.00 13.42 S ATOM 889 CE MET A 152 37.773 21.615 25.585 1.00 11.32 C ATOM 0 H MET A 152 36.769 24.224 29.127 1.00 53.33 H new ATOM 0 HA MET A 152 38.028 22.208 30.846 1.00 63.20 H new ATOM 0 HB2 MET A 152 38.457 22.964 27.911 1.00 63.31 H new ATOM 0 HB3 MET A 152 39.307 21.667 28.728 1.00 63.31 H new ATOM 0 HG2 MET A 152 37.084 20.542 29.147 1.00 73.12 H new ATOM 0 HG3 MET A 152 36.309 21.800 28.205 1.00 73.12 H new ATOM 0 HE1 MET A 152 37.559 21.218 24.593 1.00 11.32 H new ATOM 0 HE2 MET A 152 37.083 22.430 25.806 1.00 11.32 H new ATOM 0 HE3 MET A 152 38.797 21.988 25.613 1.00 11.32 H new ATOM 899 N THR A 153 39.680 24.847 29.645 1.00 52.13 N ATOM 900 CA THR A 153 40.899 25.675 29.807 1.00 0.15 C ATOM 901 C THR A 153 40.607 26.909 30.682 1.00 25.03 C ATOM 902 O THR A 153 41.532 27.534 31.217 1.00 70.01 O ATOM 903 CB THR A 153 41.474 26.132 28.416 1.00 3.45 C ATOM 904 OG1 THR A 153 40.584 27.065 27.782 1.00 64.35 O ATOM 905 CG2 THR A 153 41.701 24.940 27.465 1.00 31.24 C ATOM 0 H THR A 153 39.049 25.177 28.915 1.00 52.13 H new ATOM 0 HA THR A 153 41.649 25.057 30.301 1.00 0.15 H new ATOM 0 HB THR A 153 42.435 26.607 28.615 1.00 3.45 H new ATOM 0 HG1 THR A 153 39.658 26.841 28.011 1.00 64.35 H new ATOM 0 HG21 THR A 153 42.099 25.302 26.517 1.00 31.24 H new ATOM 0 HG22 THR A 153 42.411 24.246 27.915 1.00 31.24 H new ATOM 0 HG23 THR A 153 40.754 24.429 27.290 1.00 31.24 H new ATOM 913 N GLY A 154 39.307 27.251 30.812 1.00 33.14 N ATOM 914 CA GLY A 154 38.868 28.415 31.585 1.00 14.34 C ATOM 915 C GLY A 154 38.961 29.721 30.813 1.00 11.25 C ATOM 916 O GLY A 154 38.722 30.795 31.378 1.00 5.50 O ATOM 0 H GLY A 154 38.543 26.727 30.384 1.00 33.14 H new ATOM 0 HA2 GLY A 154 37.837 28.262 31.904 1.00 14.34 H new ATOM 0 HA3 GLY A 154 39.473 28.491 32.488 1.00 14.34 H new ATOM 920 N ASN A 155 39.309 29.629 29.513 1.00 41.41 N ATOM 921 CA ASN A 155 39.554 30.794 28.644 1.00 60.53 C ATOM 922 C ASN A 155 38.910 30.554 27.271 1.00 73.40 C ATOM 923 O ASN A 155 39.063 29.473 26.691 1.00 23.22 O ATOM 924 CB ASN A 155 41.080 31.040 28.474 1.00 73.34 C ATOM 925 CG ASN A 155 41.793 31.409 29.779 1.00 32.31 C ATOM 926 OD1 ASN A 155 41.910 32.583 30.127 1.00 55.41 O ATOM 927 ND2 ASN A 155 42.267 30.410 30.513 1.00 14.41 N ATOM 0 H ASN A 155 39.428 28.736 29.035 1.00 41.41 H new ATOM 0 HA ASN A 155 39.111 31.676 29.107 1.00 60.53 H new ATOM 0 HB2 ASN A 155 41.540 30.143 28.060 1.00 73.34 H new ATOM 0 HB3 ASN A 155 41.232 31.839 27.749 1.00 73.34 H new ATOM 0 HD21 ASN A 155 42.744 30.605 31.393 1.00 14.41 H new ATOM 0 HD22 ASN A 155 42.154 29.447 30.197 1.00 14.41 H new ATOM 934 N CYS A 156 38.193 31.568 26.768 1.00 20.45 N ATOM 935 CA CYS A 156 37.509 31.533 25.466 1.00 62.11 C ATOM 936 C CYS A 156 38.100 32.650 24.579 1.00 74.23 C ATOM 937 O CYS A 156 38.159 33.806 25.014 1.00 64.53 O ATOM 938 CB CYS A 156 35.991 31.727 25.701 1.00 61.34 C ATOM 939 SG CYS A 156 34.928 31.483 24.243 1.00 2.40 S ATOM 0 H CYS A 156 38.069 32.452 27.262 1.00 20.45 H new ATOM 0 HA CYS A 156 37.654 30.578 24.960 1.00 62.11 H new ATOM 0 HB2 CYS A 156 35.672 31.035 26.480 1.00 61.34 H new ATOM 0 HB3 CYS A 156 35.827 32.735 26.083 1.00 61.34 H new ATOM 944 N LYS A 157 38.544 32.292 23.352 1.00 25.40 N ATOM 945 CA LYS A 157 39.296 33.204 22.449 1.00 51.24 C ATOM 946 C LYS A 157 38.481 34.458 22.052 1.00 42.23 C ATOM 947 O LYS A 157 39.049 35.542 21.857 1.00 61.54 O ATOM 948 CB LYS A 157 39.770 32.442 21.176 1.00 11.34 C ATOM 949 CG LYS A 157 38.635 31.880 20.285 1.00 52.42 C ATOM 950 CD LYS A 157 39.150 31.198 18.992 1.00 2.44 C ATOM 951 CE LYS A 157 39.994 29.939 19.266 1.00 70.22 C ATOM 952 NZ LYS A 157 40.446 29.283 18.008 1.00 0.43 N ATOM 0 H LYS A 157 38.393 31.364 22.957 1.00 25.40 H new ATOM 0 HA LYS A 157 40.165 33.553 23.007 1.00 51.24 H new ATOM 0 HB2 LYS A 157 40.382 33.115 20.576 1.00 11.34 H new ATOM 0 HB3 LYS A 157 40.412 31.616 21.484 1.00 11.34 H new ATOM 0 HG2 LYS A 157 38.054 31.159 20.861 1.00 52.42 H new ATOM 0 HG3 LYS A 157 37.959 32.691 20.015 1.00 52.42 H new ATOM 0 HD2 LYS A 157 38.299 30.928 18.367 1.00 2.44 H new ATOM 0 HD3 LYS A 157 39.748 31.912 18.425 1.00 2.44 H new ATOM 0 HE2 LYS A 157 40.863 30.209 19.866 1.00 70.22 H new ATOM 0 HE3 LYS A 157 39.409 29.231 19.853 1.00 70.22 H new ATOM 0 HZ1 LYS A 157 41.010 28.441 18.239 1.00 0.43 H new ATOM 0 HZ2 LYS A 157 39.617 29.001 17.446 1.00 0.43 H new ATOM 0 HZ3 LYS A 157 41.027 29.948 17.459 1.00 0.43 H new ATOM 966 N TYR A 158 37.153 34.292 21.939 1.00 43.00 N ATOM 967 CA TYR A 158 36.229 35.387 21.591 1.00 21.52 C ATOM 968 C TYR A 158 35.859 36.209 22.840 1.00 12.21 C ATOM 969 O TYR A 158 35.550 37.403 22.736 1.00 32.14 O ATOM 970 CB TYR A 158 34.950 34.817 20.939 1.00 55.41 C ATOM 971 CG TYR A 158 35.195 33.979 19.673 1.00 64.11 C ATOM 972 CD1 TYR A 158 35.670 34.567 18.493 1.00 64.44 C ATOM 973 CD2 TYR A 158 34.933 32.606 19.650 1.00 2.12 C ATOM 974 CE1 TYR A 158 35.874 33.813 17.350 1.00 4.33 C ATOM 975 CE2 TYR A 158 35.139 31.854 18.512 1.00 13.02 C ATOM 976 CZ TYR A 158 35.605 32.460 17.365 1.00 52.34 C ATOM 977 OH TYR A 158 35.801 31.706 16.227 1.00 10.43 O ATOM 0 H TYR A 158 36.689 33.396 22.086 1.00 43.00 H new ATOM 0 HA TYR A 158 36.731 36.044 20.881 1.00 21.52 H new ATOM 0 HB2 TYR A 158 34.428 34.201 21.671 1.00 55.41 H new ATOM 0 HB3 TYR A 158 34.286 35.644 20.688 1.00 55.41 H new ATOM 0 HD1 TYR A 158 35.880 35.626 18.475 1.00 64.44 H new ATOM 0 HD2 TYR A 158 34.561 32.124 20.542 1.00 2.12 H new ATOM 0 HE1 TYR A 158 36.242 34.282 16.450 1.00 4.33 H new ATOM 0 HE2 TYR A 158 34.936 30.793 18.520 1.00 13.02 H new ATOM 0 HH TYR A 158 35.565 30.772 16.409 1.00 10.43 H new ATOM 987 N GLY A 159 35.884 35.541 24.013 1.00 43.41 N ATOM 988 CA GLY A 159 35.512 36.161 25.285 1.00 60.35 C ATOM 989 C GLY A 159 34.032 36.528 25.341 1.00 22.42 C ATOM 990 O GLY A 159 33.179 35.639 25.349 1.00 14.12 O ATOM 0 H GLY A 159 36.162 34.563 24.096 1.00 43.41 H new ATOM 0 HA2 GLY A 159 35.745 35.478 26.101 1.00 60.35 H new ATOM 0 HA3 GLY A 159 36.112 37.058 25.438 1.00 60.35 H new ATOM 994 N THR A 160 33.736 37.839 25.326 1.00 71.31 N ATOM 995 CA THR A 160 32.356 38.368 25.356 1.00 12.35 C ATOM 996 C THR A 160 31.627 38.114 24.016 1.00 52.54 C ATOM 997 O THR A 160 30.393 38.113 23.959 1.00 24.21 O ATOM 998 CB THR A 160 32.362 39.902 25.664 1.00 73.13 C ATOM 999 OG1 THR A 160 33.101 40.596 24.644 1.00 2.23 O ATOM 1000 CG2 THR A 160 32.981 40.219 27.041 1.00 63.31 C ATOM 0 H THR A 160 34.449 38.568 25.293 1.00 71.31 H new ATOM 0 HA THR A 160 31.822 37.842 26.147 1.00 12.35 H new ATOM 0 HB THR A 160 31.324 40.235 25.679 1.00 73.13 H new ATOM 0 HG1 THR A 160 33.102 41.557 24.837 1.00 2.23 H new ATOM 0 HG21 THR A 160 32.963 41.296 27.209 1.00 63.31 H new ATOM 0 HG22 THR A 160 32.407 39.720 27.822 1.00 63.31 H new ATOM 0 HG23 THR A 160 34.012 39.865 27.067 1.00 63.31 H new ATOM 1008 N ARG A 161 32.417 37.891 22.947 1.00 15.13 N ATOM 1009 CA ARG A 161 31.906 37.656 21.580 1.00 34.54 C ATOM 1010 C ARG A 161 31.484 36.181 21.368 1.00 42.24 C ATOM 1011 O ARG A 161 30.948 35.836 20.309 1.00 61.42 O ATOM 1012 CB ARG A 161 32.992 38.064 20.550 1.00 31.23 C ATOM 1013 CG ARG A 161 33.498 39.515 20.705 1.00 54.13 C ATOM 1014 CD ARG A 161 34.671 39.839 19.769 1.00 60.12 C ATOM 1015 NE ARG A 161 35.210 41.190 20.015 1.00 65.30 N ATOM 1016 CZ ARG A 161 36.481 41.572 19.819 1.00 23.21 C ATOM 1017 NH1 ARG A 161 37.389 40.717 19.359 1.00 25.21 N ATOM 1018 NH2 ARG A 161 36.836 42.818 20.096 1.00 21.31 N ATOM 0 H ARG A 161 33.435 37.869 23.007 1.00 15.13 H new ATOM 0 HA ARG A 161 31.015 38.267 21.437 1.00 34.54 H new ATOM 0 HB2 ARG A 161 33.839 37.384 20.643 1.00 31.23 H new ATOM 0 HB3 ARG A 161 32.590 37.937 19.545 1.00 31.23 H new ATOM 0 HG2 ARG A 161 32.678 40.204 20.504 1.00 54.13 H new ATOM 0 HG3 ARG A 161 33.807 39.679 21.737 1.00 54.13 H new ATOM 0 HD2 ARG A 161 35.461 39.101 19.908 1.00 60.12 H new ATOM 0 HD3 ARG A 161 34.341 39.762 18.733 1.00 60.12 H new ATOM 0 HE ARG A 161 34.560 41.894 20.364 1.00 65.30 H new ATOM 0 HH11 ARG A 161 37.123 39.755 19.150 1.00 25.21 H new ATOM 0 HH12 ARG A 161 38.351 41.023 19.215 1.00 25.21 H new ATOM 0 HH21 ARG A 161 36.145 43.477 20.455 1.00 21.31 H new ATOM 0 HH22 ARG A 161 37.800 43.118 19.950 1.00 21.31 H new ATOM 1032 N CYS A 162 31.740 35.321 22.377 1.00 13.21 N ATOM 1033 CA CYS A 162 31.383 33.889 22.339 1.00 74.44 C ATOM 1034 C CYS A 162 29.850 33.719 22.348 1.00 23.22 C ATOM 1035 O CYS A 162 29.163 34.319 23.178 1.00 40.21 O ATOM 1036 CB CYS A 162 32.029 33.168 23.548 1.00 63.24 C ATOM 1037 SG CYS A 162 31.720 31.372 23.662 1.00 54.42 S ATOM 0 H CYS A 162 32.201 35.602 23.242 1.00 13.21 H new ATOM 0 HA CYS A 162 31.762 33.443 21.420 1.00 74.44 H new ATOM 0 HB2 CYS A 162 33.106 33.330 23.510 1.00 63.24 H new ATOM 0 HB3 CYS A 162 31.668 33.638 24.463 1.00 63.24 H new ATOM 1042 N GLN A 163 29.330 32.907 21.412 1.00 32.35 N ATOM 1043 CA GLN A 163 27.876 32.660 21.251 1.00 4.43 C ATOM 1044 C GLN A 163 27.396 31.509 22.166 1.00 32.13 C ATOM 1045 O GLN A 163 26.229 31.105 22.112 1.00 23.44 O ATOM 1046 CB GLN A 163 27.518 32.355 19.759 1.00 34.33 C ATOM 1047 CG GLN A 163 28.121 31.048 19.162 1.00 52.41 C ATOM 1048 CD GLN A 163 29.513 31.193 18.525 1.00 73.40 C ATOM 1049 OE1 GLN A 163 30.308 32.061 18.881 1.00 11.33 O ATOM 1050 NE2 GLN A 163 29.822 30.324 17.585 1.00 64.43 N ATOM 0 H GLN A 163 29.904 32.398 20.740 1.00 32.35 H new ATOM 0 HA GLN A 163 27.356 33.570 21.550 1.00 4.43 H new ATOM 0 HB2 GLN A 163 26.433 32.304 19.670 1.00 34.33 H new ATOM 0 HB3 GLN A 163 27.848 33.195 19.148 1.00 34.33 H new ATOM 0 HG2 GLN A 163 28.179 30.300 19.953 1.00 52.41 H new ATOM 0 HG3 GLN A 163 27.434 30.662 18.409 1.00 52.41 H new ATOM 0 HE21 GLN A 163 29.146 29.613 17.306 1.00 64.43 H new ATOM 0 HE22 GLN A 163 30.737 30.362 17.136 1.00 64.43 H new ATOM 1059 N PHE A 164 28.307 31.001 23.011 1.00 31.22 N ATOM 1060 CA PHE A 164 28.046 29.879 23.924 1.00 64.15 C ATOM 1061 C PHE A 164 28.057 30.355 25.388 1.00 4.51 C ATOM 1062 O PHE A 164 28.760 31.316 25.731 1.00 2.14 O ATOM 1063 CB PHE A 164 29.097 28.765 23.700 1.00 74.42 C ATOM 1064 CG PHE A 164 29.103 28.198 22.278 1.00 44.42 C ATOM 1065 CD1 PHE A 164 30.234 28.286 21.463 1.00 24.34 C ATOM 1066 CD2 PHE A 164 27.964 27.579 21.755 1.00 3.11 C ATOM 1067 CE1 PHE A 164 30.226 27.771 20.179 1.00 64.04 C ATOM 1068 CE2 PHE A 164 27.960 27.066 20.472 1.00 40.31 C ATOM 1069 CZ PHE A 164 29.091 27.163 19.684 1.00 45.31 C ATOM 0 H PHE A 164 29.258 31.363 23.079 1.00 31.22 H new ATOM 0 HA PHE A 164 27.056 29.475 23.712 1.00 64.15 H new ATOM 0 HB2 PHE A 164 30.087 29.161 23.927 1.00 74.42 H new ATOM 0 HB3 PHE A 164 28.909 27.954 24.404 1.00 74.42 H new ATOM 0 HD1 PHE A 164 31.127 28.762 21.840 1.00 24.34 H new ATOM 0 HD2 PHE A 164 27.074 27.501 22.362 1.00 3.11 H new ATOM 0 HE1 PHE A 164 31.110 27.845 19.563 1.00 64.04 H new ATOM 0 HE2 PHE A 164 27.072 26.589 20.085 1.00 40.31 H new ATOM 0 HZ PHE A 164 29.086 26.763 18.681 1.00 45.31 H new ATOM 1079 N ILE A 165 27.258 29.668 26.226 1.00 33.33 N ATOM 1080 CA ILE A 165 27.075 29.979 27.657 1.00 4.55 C ATOM 1081 C ILE A 165 28.400 29.843 28.441 1.00 3.43 C ATOM 1082 O ILE A 165 29.009 28.769 28.447 1.00 15.22 O ATOM 1083 CB ILE A 165 26.010 29.017 28.317 1.00 74.22 C ATOM 1084 CG1 ILE A 165 24.691 28.971 27.487 1.00 74.34 C ATOM 1085 CG2 ILE A 165 25.721 29.428 29.784 1.00 43.33 C ATOM 1086 CD1 ILE A 165 23.636 28.006 28.001 1.00 71.21 C ATOM 0 H ILE A 165 26.710 28.864 25.921 1.00 33.33 H new ATOM 0 HA ILE A 165 26.726 31.010 27.708 1.00 4.55 H new ATOM 0 HB ILE A 165 26.436 28.014 28.322 1.00 74.22 H new ATOM 0 HG12 ILE A 165 24.262 29.973 27.461 1.00 74.34 H new ATOM 0 HG13 ILE A 165 24.936 28.702 26.460 1.00 74.34 H new ATOM 0 HG21 ILE A 165 24.985 28.749 30.214 1.00 43.33 H new ATOM 0 HG22 ILE A 165 26.642 29.378 30.364 1.00 43.33 H new ATOM 0 HG23 ILE A 165 25.332 30.446 29.807 1.00 43.33 H new ATOM 0 HD11 ILE A 165 22.759 28.049 27.356 1.00 71.21 H new ATOM 0 HD12 ILE A 165 24.038 26.993 28.000 1.00 71.21 H new ATOM 0 HD13 ILE A 165 23.353 28.283 29.017 1.00 71.21 H new ATOM 1098 N HIS A 166 28.837 30.935 29.086 1.00 30.23 N ATOM 1099 CA HIS A 166 29.983 30.916 30.009 1.00 25.14 C ATOM 1100 C HIS A 166 29.485 30.723 31.452 1.00 12.21 C ATOM 1101 O HIS A 166 29.056 31.681 32.109 1.00 72.40 O ATOM 1102 CB HIS A 166 30.844 32.212 29.880 1.00 23.22 C ATOM 1103 CG HIS A 166 31.639 32.336 28.597 1.00 2.34 C ATOM 1104 ND1 HIS A 166 32.564 33.329 28.369 1.00 31.25 N ATOM 1105 CD2 HIS A 166 31.690 31.530 27.501 1.00 73.53 C ATOM 1106 CE1 HIS A 166 33.136 33.103 27.185 1.00 71.23 C ATOM 1107 NE2 HIS A 166 32.645 32.014 26.608 1.00 14.30 N ATOM 0 H HIS A 166 28.407 31.854 28.983 1.00 30.23 H new ATOM 0 HA HIS A 166 30.627 30.078 29.743 1.00 25.14 H new ATOM 0 HB2 HIS A 166 30.185 33.076 29.965 1.00 23.22 H new ATOM 0 HB3 HIS A 166 31.535 32.255 30.722 1.00 23.22 H new ATOM 0 HD1 HIS A 166 32.776 34.104 28.997 1.00 31.25 H new ATOM 0 HD2 HIS A 166 31.083 30.650 27.347 1.00 73.53 H new ATOM 0 HE1 HIS A 166 33.902 33.728 26.751 1.00 71.23 H new ATOM 1115 N LYS A 167 29.480 29.458 31.901 1.00 53.31 N ATOM 1116 CA LYS A 167 29.263 29.097 33.315 1.00 74.44 C ATOM 1117 C LYS A 167 30.631 28.898 33.975 1.00 51.55 C ATOM 1118 O LYS A 167 31.531 28.326 33.346 1.00 52.24 O ATOM 1119 CB LYS A 167 28.419 27.799 33.444 1.00 21.13 C ATOM 1120 CG LYS A 167 27.001 27.890 32.839 1.00 44.54 C ATOM 1121 CD LYS A 167 26.147 26.621 33.086 1.00 15.24 C ATOM 1122 CE LYS A 167 25.826 26.388 34.573 1.00 14.33 C ATOM 1123 NZ LYS A 167 25.034 27.501 35.160 1.00 63.34 N ATOM 0 H LYS A 167 29.627 28.652 31.293 1.00 53.31 H new ATOM 0 HA LYS A 167 28.711 29.897 33.809 1.00 74.44 H new ATOM 0 HB2 LYS A 167 28.955 26.983 32.959 1.00 21.13 H new ATOM 0 HB3 LYS A 167 28.333 27.541 34.499 1.00 21.13 H new ATOM 0 HG2 LYS A 167 26.488 28.753 33.262 1.00 44.54 H new ATOM 0 HG3 LYS A 167 27.082 28.062 31.766 1.00 44.54 H new ATOM 0 HD2 LYS A 167 25.214 26.704 32.528 1.00 15.24 H new ATOM 0 HD3 LYS A 167 26.676 25.752 32.695 1.00 15.24 H new ATOM 0 HE2 LYS A 167 25.273 25.455 34.681 1.00 14.33 H new ATOM 0 HE3 LYS A 167 26.756 26.274 35.130 1.00 14.33 H new ATOM 0 HZ1 LYS A 167 24.727 27.240 36.119 1.00 63.34 H new ATOM 0 HZ2 LYS A 167 25.621 28.358 35.206 1.00 63.34 H new ATOM 0 HZ3 LYS A 167 24.200 27.684 34.567 1.00 63.34 H new ATOM 1137 N ILE A 168 30.784 29.363 35.229 1.00 64.14 N ATOM 1138 CA ILE A 168 32.064 29.271 35.959 1.00 53.24 C ATOM 1139 C ILE A 168 32.370 27.790 36.280 1.00 2.32 C ATOM 1140 O ILE A 168 31.859 27.226 37.255 1.00 63.24 O ATOM 1141 CB ILE A 168 32.025 30.142 37.279 1.00 73.44 C ATOM 1142 CG1 ILE A 168 31.672 31.631 36.954 1.00 70.32 C ATOM 1143 CG2 ILE A 168 33.349 30.049 38.081 1.00 64.45 C ATOM 1144 CD1 ILE A 168 32.637 32.345 36.015 1.00 73.52 C ATOM 0 H ILE A 168 30.035 29.808 35.760 1.00 64.14 H new ATOM 0 HA ILE A 168 32.861 29.667 35.330 1.00 53.24 H new ATOM 0 HB ILE A 168 31.238 29.731 37.912 1.00 73.44 H new ATOM 0 HG12 ILE A 168 30.675 31.662 36.514 1.00 70.32 H new ATOM 0 HG13 ILE A 168 31.625 32.187 37.890 1.00 70.32 H new ATOM 0 HG21 ILE A 168 33.275 30.663 38.978 1.00 64.45 H new ATOM 0 HG22 ILE A 168 33.530 29.012 38.365 1.00 64.45 H new ATOM 0 HG23 ILE A 168 34.174 30.406 37.464 1.00 64.45 H new ATOM 0 HD11 ILE A 168 32.300 33.369 35.857 1.00 73.52 H new ATOM 0 HD12 ILE A 168 33.634 32.355 36.456 1.00 73.52 H new ATOM 0 HD13 ILE A 168 32.669 31.822 35.059 1.00 73.52 H new ATOM 1156 N VAL A 169 33.161 27.158 35.394 1.00 31.35 N ATOM 1157 CA VAL A 169 33.579 25.752 35.518 1.00 0.23 C ATOM 1158 C VAL A 169 35.108 25.678 35.626 1.00 13.30 C ATOM 1159 O VAL A 169 35.823 25.947 34.650 1.00 22.45 O ATOM 1160 CB VAL A 169 33.086 24.886 34.295 1.00 62.14 C ATOM 1161 CG1 VAL A 169 33.507 23.398 34.436 1.00 35.30 C ATOM 1162 CG2 VAL A 169 31.554 25.011 34.089 1.00 10.20 C ATOM 0 H VAL A 169 33.532 27.616 34.562 1.00 31.35 H new ATOM 0 HA VAL A 169 33.122 25.343 36.419 1.00 0.23 H new ATOM 0 HB VAL A 169 33.576 25.284 33.406 1.00 62.14 H new ATOM 0 HG11 VAL A 169 33.149 22.835 33.574 1.00 35.30 H new ATOM 0 HG12 VAL A 169 34.594 23.331 34.487 1.00 35.30 H new ATOM 0 HG13 VAL A 169 33.075 22.982 35.346 1.00 35.30 H new ATOM 0 HG21 VAL A 169 31.250 24.401 33.238 1.00 10.20 H new ATOM 0 HG22 VAL A 169 31.037 24.667 34.985 1.00 10.20 H new ATOM 0 HG23 VAL A 169 31.296 26.053 33.899 1.00 10.20 H new ATOM 1172 N ASP A 170 35.588 25.330 36.822 1.00 5.12 N ATOM 1173 CA ASP A 170 37.017 25.085 37.093 1.00 64.10 C ATOM 1174 C ASP A 170 37.383 23.652 36.663 1.00 22.40 C ATOM 1175 O ASP A 170 38.511 23.383 36.226 1.00 0.44 O ATOM 1176 CB ASP A 170 37.300 25.303 38.604 1.00 12.34 C ATOM 1177 CG ASP A 170 38.781 25.132 38.993 1.00 3.42 C ATOM 1178 OD1 ASP A 170 39.151 24.082 39.567 1.00 5.52 O ATOM 1179 OD2 ASP A 170 39.585 26.055 38.728 1.00 14.40 O ATOM 0 H ASP A 170 34.994 25.208 37.642 1.00 5.12 H new ATOM 0 HA ASP A 170 37.631 25.782 36.523 1.00 64.10 H new ATOM 0 HB2 ASP A 170 36.974 26.305 38.884 1.00 12.34 H new ATOM 0 HB3 ASP A 170 36.699 24.600 39.181 1.00 12.34 H new ATOM 1184 N GLY A 171 36.400 22.746 36.801 1.00 34.31 N ATOM 1185 CA GLY A 171 36.540 21.350 36.401 1.00 64.43 C ATOM 1186 C GLY A 171 35.253 20.568 36.616 1.00 51.32 C ATOM 1187 O GLY A 171 34.190 21.160 36.841 1.00 3.23 O ATOM 0 H GLY A 171 35.486 22.970 37.195 1.00 34.31 H new ATOM 0 HA2 GLY A 171 36.824 21.300 35.350 1.00 64.43 H new ATOM 0 HA3 GLY A 171 37.346 20.888 36.971 1.00 64.43 H new ATOM 1191 N ASN A 172 35.342 19.235 36.531 1.00 20.21 N ATOM 1192 CA ASN A 172 34.194 18.328 36.746 1.00 24.45 C ATOM 1193 C ASN A 172 34.301 17.664 38.129 1.00 51.13 C ATOM 1194 O ASN A 172 35.407 17.400 38.616 1.00 21.54 O ATOM 1195 CB ASN A 172 34.135 17.251 35.631 1.00 44.43 C ATOM 1196 CG ASN A 172 33.883 17.840 34.236 1.00 22.13 C ATOM 1197 OD1 ASN A 172 32.737 18.008 33.811 1.00 72.03 O ATOM 1198 ND2 ASN A 172 34.947 18.152 33.510 1.00 2.31 N ATOM 0 H ASN A 172 36.211 18.748 36.311 1.00 20.21 H new ATOM 0 HA ASN A 172 33.274 18.912 36.706 1.00 24.45 H new ATOM 0 HB2 ASN A 172 35.073 16.696 35.620 1.00 44.43 H new ATOM 0 HB3 ASN A 172 33.345 16.537 35.865 1.00 44.43 H new ATOM 0 HD21 ASN A 172 34.830 18.542 32.575 1.00 2.31 H new ATOM 0 HD22 ASN A 172 35.883 18.002 33.887 1.00 2.31 H new ATOM 1205 N ALA A 173 33.144 17.380 38.748 1.00 34.20 N ATOM 1206 CA ALA A 173 33.064 16.768 40.085 1.00 54.02 C ATOM 1207 C ALA A 173 31.828 15.840 40.145 1.00 32.22 C ATOM 1208 O ALA A 173 30.702 16.341 40.352 1.00 51.00 O ATOM 1209 CB ALA A 173 33.029 17.860 41.177 1.00 72.23 C ATOM 1210 OXT ALA A 173 31.981 14.615 39.939 1.00 37.87 O ATOM 0 H ALA A 173 32.232 17.570 38.333 1.00 34.20 H new ATOM 0 HA ALA A 173 33.952 16.164 40.273 1.00 54.02 H new ATOM 0 HB1 ALA A 173 32.970 17.391 42.159 1.00 72.23 H new ATOM 0 HB2 ALA A 173 33.935 18.464 41.117 1.00 72.23 H new ATOM 0 HB3 ALA A 173 32.158 18.497 41.026 1.00 72.23 H new TER 1216 ALA A 173 HETATM 1217 ZN ZN A 201 -0.580 0.697 1.581 1.00 61.22 ZN HETATM 1218 ZN ZN A 202 33.133 30.897 24.995 1.00 30.43 ZN