USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=26 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 83 LYS NZ :NH3+ -154:sc= 2.02! (180deg=1.05!) USER MOD Set 1.2: A 84 TYR OH : rot 60:sc= 0.394 USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= -1.19 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 29 SER OG : rot -81:sc= 0.319 USER MOD Set 3.2: A 30 HIS : no HE2:sc= -1.02 K(o=-0.7,f=-15!) USER MOD Set 4.1: A 13 LYS NZ :NH3+ -126:sc= -0.308 (180deg=-3.37!) USER MOD Set 4.2: A 14 HIS : no HE2:sc= 1.05 K(o=0.74,f=-4.8!) USER MOD Set 5.1: A 2 GLN : amide:sc= -1.03! X(o=-1.1!,f=-1.2) USER MOD Set 5.2: A 70 MET CE :methyl 135:sc= -0.0718 (180deg=-1.13) USER MOD Single : A 1 SER N :NH3+ 171:sc= -0.382 (180deg=-0.909!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -107:sc= 0.669 (180deg=-1.42!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 109:sc= 1.21 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.124) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.93! C(o=-1.9!,f=-8.7!) USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.574 USER MOD Single : A 40 ASN : amide:sc= -1.03 K(o=-1,f=-0.22) USER MOD Single : A 41 THR OG1 : rot 18:sc= 0.0211 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= 0.407 (180deg=-0.762!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= -0.155 (180deg=-1.5!) USER MOD Single : A 59 ASN : amide:sc=-0.00188 K(o=-0.0019,f=-0.77) USER MOD Single : A 62 LYS NZ :NH3+ 143:sc= -0.34 (180deg=-1.99!) USER MOD Single : A 64 THR OG1 : rot 85:sc= 0.437 USER MOD Single : A 65 SER OG : rot 170:sc= -0.329 USER MOD Single : A 66 LYS NZ :NH3+ 133:sc= -0.12 (180deg=-1.68) USER MOD Single : A 71 LYS NZ :NH3+ -143:sc= -4.71! (180deg=-9.76!) USER MOD Single : A 73 TYR OH : rot 180:sc= -1.52! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -111:sc= -2.1! (180deg=-5.05!) USER MOD Single : A 82 LYS NZ :NH3+ 179:sc= -0.876 (180deg=-0.927) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.113 4.059 8.862 1.00 8.49 N ATOM 2 CA SER A 1 6.874 4.700 7.527 1.00 7.03 C ATOM 3 C SER A 1 6.220 6.101 7.564 1.00 4.36 C ATOM 4 O SER A 1 6.670 6.930 6.805 1.00 4.56 O ATOM 5 CB SER A 1 5.979 3.790 6.637 1.00 8.17 C ATOM 6 OG SER A 1 5.828 4.458 5.385 1.00 7.66 O ATOM 0 H1 SER A 1 7.410 3.072 8.725 1.00 8.49 H new ATOM 0 H2 SER A 1 7.859 4.578 9.368 1.00 8.49 H new ATOM 0 H3 SER A 1 6.236 4.083 9.420 1.00 8.49 H new ATOM 0 HA SER A 1 7.876 4.827 7.118 1.00 7.03 H new ATOM 0 HB2 SER A 1 6.438 2.811 6.500 1.00 8.17 H new ATOM 0 HB3 SER A 1 5.009 3.624 7.106 1.00 8.17 H new ATOM 0 HG SER A 1 5.269 3.916 4.790 1.00 7.66 H new ATOM 14 N GLN A 2 5.222 6.344 8.382 1.00 2.99 N ATOM 15 CA GLN A 2 4.583 7.717 8.413 1.00 0.60 C ATOM 16 C GLN A 2 4.098 8.154 9.813 1.00 0.62 C ATOM 17 O GLN A 2 4.386 9.236 10.294 1.00 0.75 O ATOM 18 CB GLN A 2 3.409 7.699 7.419 1.00 2.57 C ATOM 19 CG GLN A 2 2.676 9.084 7.354 1.00 4.84 C ATOM 20 CD GLN A 2 3.582 10.214 6.852 1.00 5.48 C ATOM 21 OE1 GLN A 2 4.484 10.024 6.070 1.00 6.25 O ATOM 22 NE2 GLN A 2 3.413 11.432 7.241 1.00 5.35 N ATOM 0 H GLN A 2 4.820 5.664 9.027 1.00 2.99 H new ATOM 0 HA GLN A 2 5.340 8.451 8.136 1.00 0.60 H new ATOM 0 HB2 GLN A 2 3.777 7.436 6.427 1.00 2.57 H new ATOM 0 HB3 GLN A 2 2.698 6.926 7.710 1.00 2.57 H new ATOM 0 HG2 GLN A 2 1.810 9.001 6.698 1.00 4.84 H new ATOM 0 HG3 GLN A 2 2.302 9.338 8.346 1.00 4.84 H new ATOM 0 HE21 GLN A 2 2.669 11.658 7.901 1.00 5.35 H new ATOM 0 HE22 GLN A 2 4.024 12.169 6.889 1.00 5.35 H new ATOM 31 N ALA A 3 3.355 7.275 10.436 1.00 0.61 N ATOM 32 CA ALA A 3 2.806 7.541 11.792 1.00 0.73 C ATOM 33 C ALA A 3 3.886 8.107 12.726 1.00 0.66 C ATOM 34 O ALA A 3 3.706 9.122 13.357 1.00 0.68 O ATOM 35 CB ALA A 3 2.236 6.207 12.300 1.00 0.83 C ATOM 0 H ALA A 3 3.103 6.365 10.050 1.00 0.61 H new ATOM 0 HA ALA A 3 2.023 8.298 11.762 1.00 0.73 H new ATOM 0 HB1 ALA A 3 1.818 6.346 13.297 1.00 0.83 H new ATOM 0 HB2 ALA A 3 1.453 5.864 11.623 1.00 0.83 H new ATOM 0 HB3 ALA A 3 3.032 5.463 12.341 1.00 0.83 H new ATOM 41 N GLU A 4 5.000 7.429 12.782 1.00 0.63 N ATOM 42 CA GLU A 4 6.118 7.878 13.654 1.00 0.61 C ATOM 43 C GLU A 4 6.510 9.342 13.410 1.00 0.64 C ATOM 44 O GLU A 4 6.865 10.032 14.350 1.00 0.69 O ATOM 45 CB GLU A 4 7.349 6.964 13.436 1.00 0.68 C ATOM 46 CG GLU A 4 7.921 6.978 11.981 1.00 2.30 C ATOM 47 CD GLU A 4 7.145 6.236 10.911 1.00 3.34 C ATOM 48 OE1 GLU A 4 6.098 5.634 11.075 1.00 3.33 O ATOM 49 OE2 GLU A 4 7.712 6.300 9.849 1.00 5.11 O ATOM 0 H GLU A 4 5.183 6.575 12.255 1.00 0.63 H new ATOM 0 HA GLU A 4 5.771 7.806 14.685 1.00 0.61 H new ATOM 0 HB2 GLU A 4 8.137 7.268 14.125 1.00 0.68 H new ATOM 0 HB3 GLU A 4 7.076 5.941 13.695 1.00 0.68 H new ATOM 0 HG2 GLU A 4 8.014 8.018 11.667 1.00 2.30 H new ATOM 0 HG3 GLU A 4 8.929 6.563 12.013 1.00 2.30 H new ATOM 56 N PHE A 5 6.425 9.728 12.171 1.00 0.63 N ATOM 57 CA PHE A 5 6.768 11.130 11.752 1.00 0.61 C ATOM 58 C PHE A 5 5.625 12.064 12.136 1.00 0.47 C ATOM 59 O PHE A 5 5.879 13.055 12.781 1.00 0.47 O ATOM 60 CB PHE A 5 6.968 11.175 10.262 1.00 0.66 C ATOM 61 CG PHE A 5 7.228 12.625 9.810 1.00 0.52 C ATOM 62 CD1 PHE A 5 8.472 13.222 9.908 1.00 2.15 C ATOM 63 CD2 PHE A 5 6.184 13.355 9.295 1.00 2.67 C ATOM 64 CE1 PHE A 5 8.660 14.525 9.494 1.00 2.17 C ATOM 65 CE2 PHE A 5 6.365 14.646 8.887 1.00 2.62 C ATOM 66 CZ PHE A 5 7.604 15.240 8.981 1.00 0.32 C ATOM 0 H PHE A 5 6.126 9.123 11.407 1.00 0.63 H new ATOM 0 HA PHE A 5 7.684 11.445 12.251 1.00 0.61 H new ATOM 0 HB2 PHE A 5 7.809 10.541 9.980 1.00 0.66 H new ATOM 0 HB3 PHE A 5 6.087 10.780 9.756 1.00 0.66 H new ATOM 0 HD1 PHE A 5 9.303 12.664 10.312 1.00 2.15 H new ATOM 0 HD2 PHE A 5 5.207 12.902 9.212 1.00 2.67 H new ATOM 0 HE1 PHE A 5 9.635 14.982 9.573 1.00 2.17 H new ATOM 0 HE2 PHE A 5 5.531 15.205 8.488 1.00 2.62 H new ATOM 0 HZ PHE A 5 7.745 16.260 8.654 1.00 0.32 H new ATOM 76 N ASP A 6 4.410 11.771 11.759 1.00 0.36 N ATOM 77 CA ASP A 6 3.277 12.663 12.131 1.00 0.25 C ATOM 78 C ASP A 6 3.303 12.789 13.646 1.00 0.28 C ATOM 79 O ASP A 6 3.120 13.840 14.212 1.00 0.27 O ATOM 80 CB ASP A 6 2.094 11.973 11.550 1.00 0.27 C ATOM 81 CG ASP A 6 2.153 12.110 10.030 1.00 0.44 C ATOM 82 OD1 ASP A 6 2.805 12.999 9.494 1.00 1.30 O ATOM 83 OD2 ASP A 6 1.495 11.267 9.464 1.00 1.68 O ATOM 0 H ASP A 6 4.154 10.951 11.209 1.00 0.36 H new ATOM 0 HA ASP A 6 3.295 13.687 11.759 1.00 0.25 H new ATOM 0 HB2 ASP A 6 2.090 10.921 11.836 1.00 0.27 H new ATOM 0 HB3 ASP A 6 1.173 12.411 11.935 1.00 0.27 H new ATOM 88 N LYS A 7 3.539 11.664 14.265 1.00 0.36 N ATOM 89 CA LYS A 7 3.631 11.599 15.733 1.00 0.47 C ATOM 90 C LYS A 7 4.669 12.663 16.047 1.00 0.51 C ATOM 91 O LYS A 7 4.360 13.561 16.792 1.00 0.51 O ATOM 92 CB LYS A 7 4.120 10.199 16.164 1.00 0.68 C ATOM 93 CG LYS A 7 4.507 10.203 17.694 1.00 1.29 C ATOM 94 CD LYS A 7 6.051 10.451 17.968 1.00 3.01 C ATOM 95 CE LYS A 7 6.807 9.122 18.114 1.00 4.01 C ATOM 96 NZ LYS A 7 7.099 8.543 16.771 1.00 3.24 N ATOM 0 H LYS A 7 3.674 10.770 13.793 1.00 0.36 H new ATOM 0 HA LYS A 7 2.685 11.763 16.249 1.00 0.47 H new ATOM 0 HB2 LYS A 7 3.339 9.461 15.981 1.00 0.68 H new ATOM 0 HB3 LYS A 7 4.982 9.906 15.564 1.00 0.68 H new ATOM 0 HG2 LYS A 7 3.930 10.975 18.202 1.00 1.29 H new ATOM 0 HG3 LYS A 7 4.219 9.248 18.134 1.00 1.29 H new ATOM 0 HD2 LYS A 7 6.480 11.029 17.150 1.00 3.01 H new ATOM 0 HD3 LYS A 7 6.172 11.043 18.875 1.00 3.01 H new ATOM 0 HE2 LYS A 7 7.738 9.283 18.658 1.00 4.01 H new ATOM 0 HE3 LYS A 7 6.213 8.420 18.699 1.00 4.01 H new ATOM 0 HZ1 LYS A 7 6.481 7.723 16.604 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 6.927 9.261 16.039 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 8.093 8.240 16.732 1.00 3.24 H new ATOM 110 N ALA A 8 5.855 12.581 15.486 1.00 0.55 N ATOM 111 CA ALA A 8 6.834 13.652 15.837 1.00 0.60 C ATOM 112 C ALA A 8 6.250 15.074 15.633 1.00 0.55 C ATOM 113 O ALA A 8 6.306 15.910 16.511 1.00 0.57 O ATOM 114 CB ALA A 8 8.067 13.366 14.972 1.00 0.63 C ATOM 0 H ALA A 8 6.172 11.861 14.837 1.00 0.55 H new ATOM 0 HA ALA A 8 7.093 13.637 16.896 1.00 0.60 H new ATOM 0 HB1 ALA A 8 8.834 14.114 15.174 1.00 0.63 H new ATOM 0 HB2 ALA A 8 8.455 12.375 15.208 1.00 0.63 H new ATOM 0 HB3 ALA A 8 7.790 13.406 13.919 1.00 0.63 H new ATOM 120 N ALA A 9 5.693 15.259 14.474 1.00 0.49 N ATOM 121 CA ALA A 9 5.069 16.567 14.058 1.00 0.42 C ATOM 122 C ALA A 9 4.049 17.129 15.056 1.00 0.26 C ATOM 123 O ALA A 9 4.094 18.265 15.508 1.00 0.28 O ATOM 124 CB ALA A 9 4.406 16.346 12.692 1.00 0.45 C ATOM 0 H ALA A 9 5.637 14.533 13.760 1.00 0.49 H new ATOM 0 HA ALA A 9 5.861 17.315 14.016 1.00 0.42 H new ATOM 0 HB1 ALA A 9 3.942 17.274 12.358 1.00 0.45 H new ATOM 0 HB2 ALA A 9 5.159 16.036 11.968 1.00 0.45 H new ATOM 0 HB3 ALA A 9 3.645 15.571 12.778 1.00 0.45 H new ATOM 130 N GLU A 10 3.154 16.261 15.414 1.00 0.18 N ATOM 131 CA GLU A 10 2.082 16.614 16.350 1.00 0.28 C ATOM 132 C GLU A 10 2.684 16.748 17.740 1.00 0.42 C ATOM 133 O GLU A 10 2.315 17.643 18.477 1.00 0.50 O ATOM 134 CB GLU A 10 1.060 15.510 16.265 1.00 0.35 C ATOM 135 CG GLU A 10 -0.146 15.964 17.108 1.00 0.25 C ATOM 136 CD GLU A 10 -1.412 15.893 16.241 1.00 1.18 C ATOM 137 OE1 GLU A 10 -1.814 14.797 15.915 1.00 0.94 O ATOM 138 OE2 GLU A 10 -1.912 16.959 15.946 1.00 3.45 O ATOM 0 H GLU A 10 3.127 15.297 15.083 1.00 0.18 H new ATOM 0 HA GLU A 10 1.601 17.563 16.115 1.00 0.28 H new ATOM 0 HB2 GLU A 10 0.765 15.333 15.231 1.00 0.35 H new ATOM 0 HB3 GLU A 10 1.468 14.573 16.645 1.00 0.35 H new ATOM 0 HG2 GLU A 10 -0.254 15.327 17.986 1.00 0.25 H new ATOM 0 HG3 GLU A 10 0.007 16.981 17.469 1.00 0.25 H new ATOM 145 N GLU A 11 3.582 15.866 18.078 1.00 0.51 N ATOM 146 CA GLU A 11 4.239 15.912 19.407 1.00 0.76 C ATOM 147 C GLU A 11 4.872 17.291 19.584 1.00 0.60 C ATOM 148 O GLU A 11 4.618 17.968 20.563 1.00 0.75 O ATOM 149 CB GLU A 11 5.274 14.829 19.403 1.00 1.02 C ATOM 150 CG GLU A 11 4.656 13.432 19.651 1.00 1.30 C ATOM 151 CD GLU A 11 4.679 13.058 21.122 1.00 0.62 C ATOM 152 OE1 GLU A 11 4.583 13.925 21.977 1.00 2.72 O ATOM 153 OE2 GLU A 11 4.811 11.872 21.366 1.00 0.95 O ATOM 0 H GLU A 11 3.892 15.103 17.476 1.00 0.51 H new ATOM 0 HA GLU A 11 3.542 15.756 20.231 1.00 0.76 H new ATOM 0 HB2 GLU A 11 5.795 14.830 18.446 1.00 1.02 H new ATOM 0 HB3 GLU A 11 6.019 15.037 20.171 1.00 1.02 H new ATOM 0 HG2 GLU A 11 3.628 13.420 19.289 1.00 1.30 H new ATOM 0 HG3 GLU A 11 5.205 12.685 19.077 1.00 1.30 H new ATOM 160 N VAL A 12 5.687 17.676 18.630 1.00 0.44 N ATOM 161 CA VAL A 12 6.346 19.020 18.729 1.00 0.28 C ATOM 162 C VAL A 12 5.241 20.064 18.852 1.00 0.12 C ATOM 163 O VAL A 12 5.334 20.921 19.712 1.00 0.16 O ATOM 164 CB VAL A 12 7.232 19.239 17.470 1.00 0.36 C ATOM 165 CG1 VAL A 12 6.650 20.209 16.416 1.00 0.35 C ATOM 166 CG2 VAL A 12 8.580 19.802 17.943 1.00 0.34 C ATOM 0 H VAL A 12 5.922 17.130 17.801 1.00 0.44 H new ATOM 0 HA VAL A 12 6.997 19.097 19.600 1.00 0.28 H new ATOM 0 HB VAL A 12 7.310 18.271 16.975 1.00 0.36 H new ATOM 0 HG11 VAL A 12 7.342 20.294 15.578 1.00 0.35 H new ATOM 0 HG12 VAL A 12 5.693 19.827 16.059 1.00 0.35 H new ATOM 0 HG13 VAL A 12 6.504 21.191 16.867 1.00 0.35 H new ATOM 0 HG21 VAL A 12 9.227 19.968 17.082 1.00 0.34 H new ATOM 0 HG22 VAL A 12 8.418 20.747 18.462 1.00 0.34 H new ATOM 0 HG23 VAL A 12 9.053 19.092 18.621 1.00 0.34 H new ATOM 176 N LYS A 13 4.236 19.985 18.002 1.00 0.33 N ATOM 177 CA LYS A 13 3.082 20.961 18.059 1.00 0.73 C ATOM 178 C LYS A 13 2.534 21.178 19.491 1.00 0.51 C ATOM 179 O LYS A 13 1.756 22.088 19.708 1.00 0.53 O ATOM 180 CB LYS A 13 1.915 20.441 17.155 1.00 1.39 C ATOM 181 CG LYS A 13 1.866 21.180 15.801 1.00 1.32 C ATOM 182 CD LYS A 13 0.899 20.480 14.766 1.00 1.72 C ATOM 183 CE LYS A 13 -0.590 20.375 15.170 1.00 2.56 C ATOM 184 NZ LYS A 13 -0.745 19.350 16.235 1.00 3.43 N ATOM 0 H LYS A 13 4.163 19.283 17.266 1.00 0.33 H new ATOM 0 HA LYS A 13 3.466 21.918 17.705 1.00 0.73 H new ATOM 0 HB2 LYS A 13 2.038 19.372 16.981 1.00 1.39 H new ATOM 0 HB3 LYS A 13 0.966 20.572 17.675 1.00 1.39 H new ATOM 0 HG2 LYS A 13 1.538 22.207 15.963 1.00 1.32 H new ATOM 0 HG3 LYS A 13 2.870 21.228 15.380 1.00 1.32 H new ATOM 0 HD2 LYS A 13 0.958 21.024 13.823 1.00 1.72 H new ATOM 0 HD3 LYS A 13 1.273 19.473 14.578 1.00 1.72 H new ATOM 0 HE2 LYS A 13 -0.950 21.341 15.525 1.00 2.56 H new ATOM 0 HE3 LYS A 13 -1.195 20.108 14.303 1.00 2.56 H new ATOM 0 HZ1 LYS A 13 -1.459 18.652 15.944 1.00 3.43 H new ATOM 0 HZ2 LYS A 13 0.165 18.870 16.390 1.00 3.43 H new ATOM 0 HZ3 LYS A 13 -1.049 19.809 17.117 1.00 3.43 H new ATOM 198 N HIS A 14 2.961 20.345 20.404 1.00 0.45 N ATOM 199 CA HIS A 14 2.527 20.408 21.827 1.00 0.58 C ATOM 200 C HIS A 14 3.697 20.375 22.854 1.00 0.65 C ATOM 201 O HIS A 14 3.478 19.951 23.973 1.00 0.95 O ATOM 202 CB HIS A 14 1.585 19.226 22.097 1.00 0.88 C ATOM 203 CG HIS A 14 0.388 19.225 21.164 1.00 0.92 C ATOM 204 ND1 HIS A 14 0.349 18.606 20.039 1.00 0.91 N ATOM 205 CD2 HIS A 14 -0.854 19.821 21.275 1.00 0.97 C ATOM 206 CE1 HIS A 14 -0.811 18.783 19.484 1.00 0.96 C ATOM 207 NE2 HIS A 14 -1.590 19.535 20.220 1.00 1.00 N ATOM 0 H HIS A 14 3.621 19.592 20.209 1.00 0.45 H new ATOM 0 HA HIS A 14 2.032 21.369 21.966 1.00 0.58 H new ATOM 0 HB2 HIS A 14 2.134 18.292 21.982 1.00 0.88 H new ATOM 0 HB3 HIS A 14 1.239 19.267 23.130 1.00 0.88 H new ATOM 0 HD1 HIS A 14 1.113 18.059 19.642 1.00 0.91 H new ATOM 0 HD2 HIS A 14 -1.175 20.432 22.106 1.00 0.97 H new ATOM 0 HE1 HIS A 14 -1.098 18.362 18.532 1.00 0.96 H new ATOM 215 N LEU A 15 4.902 20.783 22.529 1.00 0.71 N ATOM 216 CA LEU A 15 5.961 20.720 23.601 1.00 1.13 C ATOM 217 C LEU A 15 5.794 21.811 24.671 1.00 1.23 C ATOM 218 O LEU A 15 6.496 22.795 24.664 1.00 1.97 O ATOM 219 CB LEU A 15 7.369 20.850 22.960 1.00 1.35 C ATOM 220 CG LEU A 15 7.662 19.568 22.187 1.00 1.35 C ATOM 221 CD1 LEU A 15 8.945 19.725 21.372 1.00 1.47 C ATOM 222 CD2 LEU A 15 7.883 18.398 23.151 1.00 1.79 C ATOM 0 H LEU A 15 5.194 21.140 21.619 1.00 0.71 H new ATOM 0 HA LEU A 15 5.850 19.755 24.095 1.00 1.13 H new ATOM 0 HB2 LEU A 15 7.405 21.712 22.294 1.00 1.35 H new ATOM 0 HB3 LEU A 15 8.124 21.010 23.730 1.00 1.35 H new ATOM 0 HG LEU A 15 6.808 19.375 21.537 1.00 1.35 H new ATOM 0 HD11 LEU A 15 9.143 18.803 20.825 1.00 1.47 H new ATOM 0 HD12 LEU A 15 8.830 20.548 20.667 1.00 1.47 H new ATOM 0 HD13 LEU A 15 9.778 19.936 22.042 1.00 1.47 H new ATOM 0 HD21 LEU A 15 8.091 17.492 22.582 1.00 1.79 H new ATOM 0 HD22 LEU A 15 8.728 18.619 23.803 1.00 1.79 H new ATOM 0 HD23 LEU A 15 6.988 18.250 23.755 1.00 1.79 H new ATOM 234 N LYS A 16 4.849 21.591 25.548 1.00 1.56 N ATOM 235 CA LYS A 16 4.472 22.488 26.709 1.00 1.85 C ATOM 236 C LYS A 16 5.482 23.538 27.244 1.00 0.97 C ATOM 237 O LYS A 16 5.092 24.531 27.828 1.00 0.98 O ATOM 238 CB LYS A 16 4.039 21.551 27.885 1.00 2.71 C ATOM 239 CG LYS A 16 2.642 20.899 27.643 1.00 4.48 C ATOM 240 CD LYS A 16 1.463 21.895 27.869 1.00 4.52 C ATOM 241 CE LYS A 16 1.320 22.235 29.364 1.00 4.02 C ATOM 242 NZ LYS A 16 0.133 23.143 29.531 1.00 4.53 N ATOM 0 H LYS A 16 4.269 20.753 25.507 1.00 1.56 H new ATOM 0 HA LYS A 16 3.694 23.131 26.297 1.00 1.85 H new ATOM 0 HB2 LYS A 16 4.785 20.767 28.015 1.00 2.71 H new ATOM 0 HB3 LYS A 16 4.014 22.124 28.812 1.00 2.71 H new ATOM 0 HG2 LYS A 16 2.597 20.515 26.624 1.00 4.48 H new ATOM 0 HG3 LYS A 16 2.524 20.046 28.311 1.00 4.48 H new ATOM 0 HD2 LYS A 16 1.636 22.807 27.298 1.00 4.52 H new ATOM 0 HD3 LYS A 16 0.535 21.459 27.499 1.00 4.52 H new ATOM 0 HE2 LYS A 16 1.187 21.325 29.949 1.00 4.02 H new ATOM 0 HE3 LYS A 16 2.224 22.721 29.731 1.00 4.02 H new ATOM 0 HZ1 LYS A 16 0.019 23.385 30.536 1.00 4.53 H new ATOM 0 HZ2 LYS A 16 0.281 24.013 28.980 1.00 4.53 H new ATOM 0 HZ3 LYS A 16 -0.724 22.660 29.192 1.00 4.53 H new ATOM 256 N THR A 17 6.736 23.299 27.026 1.00 0.69 N ATOM 257 CA THR A 17 7.829 24.231 27.503 1.00 1.31 C ATOM 258 C THR A 17 8.367 25.208 26.411 1.00 2.15 C ATOM 259 O THR A 17 7.782 25.338 25.357 1.00 2.54 O ATOM 260 CB THR A 17 8.878 23.248 28.108 1.00 1.82 C ATOM 261 OG1 THR A 17 8.110 22.593 29.113 1.00 2.18 O ATOM 262 CG2 THR A 17 9.922 23.832 29.044 1.00 3.22 C ATOM 0 H THR A 17 7.076 22.478 26.525 1.00 0.69 H new ATOM 0 HA THR A 17 7.483 24.958 28.238 1.00 1.31 H new ATOM 0 HB THR A 17 9.352 22.747 27.264 1.00 1.82 H new ATOM 0 HG1 THR A 17 7.931 21.670 28.838 1.00 2.18 H new ATOM 0 HG21 THR A 17 10.585 23.039 29.390 1.00 3.22 H new ATOM 0 HG22 THR A 17 10.504 24.586 28.515 1.00 3.22 H new ATOM 0 HG23 THR A 17 9.427 24.290 29.900 1.00 3.22 H new ATOM 270 N LYS A 18 9.452 25.901 26.656 1.00 2.98 N ATOM 271 CA LYS A 18 10.052 26.890 25.669 1.00 3.88 C ATOM 272 C LYS A 18 11.244 26.423 24.746 1.00 3.27 C ATOM 273 O LYS A 18 12.392 26.400 25.167 1.00 3.27 O ATOM 274 CB LYS A 18 10.435 28.108 26.559 1.00 5.18 C ATOM 275 CG LYS A 18 11.090 29.267 25.767 1.00 6.09 C ATOM 276 CD LYS A 18 11.331 30.450 26.774 1.00 7.34 C ATOM 277 CE LYS A 18 12.114 31.611 26.135 1.00 6.70 C ATOM 278 NZ LYS A 18 11.304 32.158 25.000 1.00 5.37 N ATOM 0 H LYS A 18 9.974 25.827 27.529 1.00 2.98 H new ATOM 0 HA LYS A 18 9.312 27.090 24.894 1.00 3.88 H new ATOM 0 HB2 LYS A 18 9.540 28.479 27.058 1.00 5.18 H new ATOM 0 HB3 LYS A 18 11.121 27.777 27.339 1.00 5.18 H new ATOM 0 HG2 LYS A 18 12.031 28.944 25.323 1.00 6.09 H new ATOM 0 HG3 LYS A 18 10.444 29.585 24.949 1.00 6.09 H new ATOM 0 HD2 LYS A 18 10.371 30.818 27.135 1.00 7.34 H new ATOM 0 HD3 LYS A 18 11.878 30.080 27.641 1.00 7.34 H new ATOM 0 HE2 LYS A 18 12.308 32.390 26.873 1.00 6.70 H new ATOM 0 HE3 LYS A 18 13.083 31.263 25.777 1.00 6.70 H new ATOM 0 HZ1 LYS A 18 11.741 33.035 24.653 1.00 5.37 H new ATOM 0 HZ2 LYS A 18 11.270 31.460 24.230 1.00 5.37 H new ATOM 0 HZ3 LYS A 18 10.338 32.359 25.328 1.00 5.37 H new ATOM 292 N PRO A 19 10.963 26.062 23.502 1.00 2.89 N ATOM 293 CA PRO A 19 12.014 25.604 22.539 1.00 2.22 C ATOM 294 C PRO A 19 12.829 26.770 21.917 1.00 1.94 C ATOM 295 O PRO A 19 12.406 27.914 21.914 1.00 2.43 O ATOM 296 CB PRO A 19 11.224 24.793 21.484 1.00 2.20 C ATOM 297 CG PRO A 19 9.792 24.677 22.087 1.00 2.97 C ATOM 298 CD PRO A 19 9.631 26.002 22.833 1.00 3.26 C ATOM 0 HA PRO A 19 12.783 25.008 23.030 1.00 2.22 H new ATOM 0 HB2 PRO A 19 11.210 25.301 20.520 1.00 2.20 H new ATOM 0 HB3 PRO A 19 11.669 23.811 21.321 1.00 2.20 H new ATOM 0 HG2 PRO A 19 9.035 24.554 21.312 1.00 2.97 H new ATOM 0 HG3 PRO A 19 9.703 23.822 22.757 1.00 2.97 H new ATOM 0 HD2 PRO A 19 9.459 26.844 22.162 1.00 3.26 H new ATOM 0 HD3 PRO A 19 8.804 25.987 23.543 1.00 3.26 H new ATOM 306 N ALA A 20 13.986 26.400 21.415 1.00 1.25 N ATOM 307 CA ALA A 20 14.929 27.367 20.767 1.00 1.15 C ATOM 308 C ALA A 20 14.897 27.418 19.208 1.00 0.89 C ATOM 309 O ALA A 20 14.617 26.449 18.521 1.00 0.78 O ATOM 310 CB ALA A 20 16.350 27.008 21.256 1.00 1.19 C ATOM 0 H ALA A 20 14.324 25.438 21.429 1.00 1.25 H new ATOM 0 HA ALA A 20 14.610 28.366 21.063 1.00 1.15 H new ATOM 0 HB1 ALA A 20 17.072 27.690 20.807 1.00 1.19 H new ATOM 0 HB2 ALA A 20 16.394 27.096 22.342 1.00 1.19 H new ATOM 0 HB3 ALA A 20 16.587 25.985 20.965 1.00 1.19 H new ATOM 316 N ASP A 21 15.201 28.599 18.728 1.00 0.87 N ATOM 317 CA ASP A 21 15.254 28.919 17.268 1.00 0.72 C ATOM 318 C ASP A 21 15.826 27.697 16.485 1.00 0.70 C ATOM 319 O ASP A 21 15.154 27.117 15.655 1.00 0.69 O ATOM 320 CB ASP A 21 16.123 30.198 17.195 1.00 0.74 C ATOM 321 CG ASP A 21 15.861 31.091 15.981 1.00 0.45 C ATOM 322 OD1 ASP A 21 14.753 31.134 15.465 1.00 1.30 O ATOM 323 OD2 ASP A 21 16.806 31.752 15.596 1.00 0.73 O ATOM 0 H ASP A 21 15.426 29.395 19.324 1.00 0.87 H new ATOM 0 HA ASP A 21 14.285 29.105 16.804 1.00 0.72 H new ATOM 0 HB2 ASP A 21 15.958 30.783 18.100 1.00 0.74 H new ATOM 0 HB3 ASP A 21 17.173 29.906 17.192 1.00 0.74 H new ATOM 328 N GLU A 22 17.052 27.333 16.781 1.00 0.69 N ATOM 329 CA GLU A 22 17.697 26.166 16.094 1.00 0.64 C ATOM 330 C GLU A 22 16.808 24.915 16.073 1.00 0.57 C ATOM 331 O GLU A 22 16.734 24.230 15.073 1.00 0.38 O ATOM 332 CB GLU A 22 19.054 25.797 16.789 1.00 0.66 C ATOM 333 CG GLU A 22 20.143 26.946 16.725 1.00 0.74 C ATOM 334 CD GLU A 22 21.581 26.433 16.985 1.00 0.95 C ATOM 335 OE1 GLU A 22 21.745 25.224 17.107 1.00 1.18 O ATOM 336 OE2 GLU A 22 22.455 27.287 17.040 1.00 2.51 O ATOM 0 H GLU A 22 17.638 27.798 17.474 1.00 0.69 H new ATOM 0 HA GLU A 22 17.864 26.482 15.064 1.00 0.64 H new ATOM 0 HB2 GLU A 22 18.861 25.551 17.833 1.00 0.66 H new ATOM 0 HB3 GLU A 22 19.459 24.900 16.320 1.00 0.66 H new ATOM 0 HG2 GLU A 22 20.104 27.421 15.745 1.00 0.74 H new ATOM 0 HG3 GLU A 22 19.898 27.712 17.460 1.00 0.74 H new ATOM 343 N GLU A 23 16.132 24.608 17.149 1.00 0.72 N ATOM 344 CA GLU A 23 15.249 23.397 17.172 1.00 0.67 C ATOM 345 C GLU A 23 14.140 23.630 16.150 1.00 0.74 C ATOM 346 O GLU A 23 13.945 22.877 15.222 1.00 0.83 O ATOM 347 CB GLU A 23 14.620 23.233 18.564 1.00 0.38 C ATOM 348 CG GLU A 23 15.185 21.974 19.249 1.00 1.25 C ATOM 349 CD GLU A 23 16.418 22.292 20.105 1.00 1.03 C ATOM 350 OE1 GLU A 23 17.232 23.074 19.661 1.00 3.02 O ATOM 351 OE2 GLU A 23 16.474 21.717 21.180 1.00 0.63 O ATOM 0 H GLU A 23 16.151 25.143 18.017 1.00 0.72 H new ATOM 0 HA GLU A 23 15.824 22.500 16.940 1.00 0.67 H new ATOM 0 HB2 GLU A 23 14.828 24.113 19.173 1.00 0.38 H new ATOM 0 HB3 GLU A 23 13.536 23.155 18.476 1.00 0.38 H new ATOM 0 HG2 GLU A 23 14.414 21.525 19.876 1.00 1.25 H new ATOM 0 HG3 GLU A 23 15.450 21.236 18.491 1.00 1.25 H new ATOM 358 N MET A 24 13.454 24.715 16.402 1.00 0.71 N ATOM 359 CA MET A 24 12.307 25.152 15.524 1.00 0.71 C ATOM 360 C MET A 24 12.758 24.972 14.061 1.00 0.64 C ATOM 361 O MET A 24 12.051 24.399 13.256 1.00 0.58 O ATOM 362 CB MET A 24 11.976 26.636 15.835 1.00 0.80 C ATOM 363 CG MET A 24 11.650 26.796 17.341 1.00 1.01 C ATOM 364 SD MET A 24 10.252 25.857 18.006 1.00 2.92 S ATOM 365 CE MET A 24 9.151 27.209 18.500 1.00 2.60 C ATOM 0 H MET A 24 13.638 25.333 17.192 1.00 0.71 H new ATOM 0 HA MET A 24 11.408 24.563 15.703 1.00 0.71 H new ATOM 0 HB2 MET A 24 12.821 27.271 15.567 1.00 0.80 H new ATOM 0 HB3 MET A 24 11.128 26.963 15.233 1.00 0.80 H new ATOM 0 HG2 MET A 24 12.539 26.519 17.907 1.00 1.01 H new ATOM 0 HG3 MET A 24 11.466 27.853 17.533 1.00 1.01 H new ATOM 0 HE1 MET A 24 8.239 26.796 18.931 1.00 2.60 H new ATOM 0 HE2 MET A 24 9.651 27.834 19.240 1.00 2.60 H new ATOM 0 HE3 MET A 24 8.900 27.811 17.627 1.00 2.60 H new ATOM 375 N LEU A 25 13.936 25.483 13.806 1.00 0.65 N ATOM 376 CA LEU A 25 14.602 25.435 12.496 1.00 0.62 C ATOM 377 C LEU A 25 14.868 23.993 12.047 1.00 0.50 C ATOM 378 O LEU A 25 14.448 23.650 10.967 1.00 0.33 O ATOM 379 CB LEU A 25 15.872 26.283 12.696 1.00 0.71 C ATOM 380 CG LEU A 25 15.526 27.746 12.406 1.00 0.77 C ATOM 381 CD1 LEU A 25 16.615 28.666 12.943 1.00 0.75 C ATOM 382 CD2 LEU A 25 15.589 27.871 10.903 1.00 1.15 C ATOM 0 H LEU A 25 14.489 25.963 14.516 1.00 0.65 H new ATOM 0 HA LEU A 25 13.994 25.833 11.684 1.00 0.62 H new ATOM 0 HB2 LEU A 25 16.243 26.176 13.715 1.00 0.71 H new ATOM 0 HB3 LEU A 25 16.665 25.942 12.031 1.00 0.71 H new ATOM 0 HG LEU A 25 14.566 28.009 12.850 1.00 0.77 H new ATOM 0 HD11 LEU A 25 16.354 29.702 12.729 1.00 0.75 H new ATOM 0 HD12 LEU A 25 16.707 28.530 14.021 1.00 0.75 H new ATOM 0 HD13 LEU A 25 17.564 28.424 12.464 1.00 0.75 H new ATOM 0 HD21 LEU A 25 15.352 28.895 10.613 1.00 1.15 H new ATOM 0 HD22 LEU A 25 16.592 27.619 10.559 1.00 1.15 H new ATOM 0 HD23 LEU A 25 14.868 27.190 10.451 1.00 1.15 H new ATOM 394 N PHE A 26 15.510 23.205 12.876 1.00 0.60 N ATOM 395 CA PHE A 26 15.845 21.774 12.564 1.00 0.55 C ATOM 396 C PHE A 26 14.537 21.083 12.192 1.00 0.51 C ATOM 397 O PHE A 26 14.390 20.488 11.146 1.00 0.38 O ATOM 398 CB PHE A 26 16.464 21.150 13.818 1.00 0.57 C ATOM 399 CG PHE A 26 16.989 19.737 13.524 1.00 0.51 C ATOM 400 CD1 PHE A 26 16.141 18.649 13.588 1.00 2.08 C ATOM 401 CD2 PHE A 26 18.316 19.535 13.194 1.00 2.72 C ATOM 402 CE1 PHE A 26 16.607 17.379 13.330 1.00 2.19 C ATOM 403 CE2 PHE A 26 18.786 18.260 12.935 1.00 2.65 C ATOM 404 CZ PHE A 26 17.930 17.181 13.003 1.00 0.53 C ATOM 0 H PHE A 26 15.830 23.508 13.796 1.00 0.60 H new ATOM 0 HA PHE A 26 16.555 21.677 11.742 1.00 0.55 H new ATOM 0 HB2 PHE A 26 17.279 21.778 14.177 1.00 0.57 H new ATOM 0 HB3 PHE A 26 15.720 21.108 14.613 1.00 0.57 H new ATOM 0 HD1 PHE A 26 15.102 18.796 13.843 1.00 2.08 H new ATOM 0 HD2 PHE A 26 18.990 20.377 13.138 1.00 2.72 H new ATOM 0 HE1 PHE A 26 15.933 16.537 13.384 1.00 2.19 H new ATOM 0 HE2 PHE A 26 19.824 18.109 12.679 1.00 2.65 H new ATOM 0 HZ PHE A 26 18.296 16.185 12.801 1.00 0.53 H new ATOM 414 N ILE A 27 13.603 21.210 13.092 1.00 0.62 N ATOM 415 CA ILE A 27 12.242 20.616 12.919 1.00 0.62 C ATOM 416 C ILE A 27 11.711 21.235 11.611 1.00 0.48 C ATOM 417 O ILE A 27 11.785 20.593 10.589 1.00 0.32 O ATOM 418 CB ILE A 27 11.418 21.015 14.176 1.00 0.82 C ATOM 419 CG1 ILE A 27 12.015 20.373 15.473 1.00 1.35 C ATOM 420 CG2 ILE A 27 9.949 20.605 14.017 1.00 1.21 C ATOM 421 CD1 ILE A 27 12.016 18.818 15.413 1.00 1.09 C ATOM 0 H ILE A 27 13.728 21.716 13.969 1.00 0.62 H new ATOM 0 HA ILE A 27 12.205 19.529 12.841 1.00 0.62 H new ATOM 0 HB ILE A 27 11.472 22.099 14.273 1.00 0.82 H new ATOM 0 HG12 ILE A 27 13.035 20.730 15.617 1.00 1.35 H new ATOM 0 HG13 ILE A 27 11.438 20.701 16.337 1.00 1.35 H new ATOM 0 HG21 ILE A 27 9.392 20.894 14.908 1.00 1.21 H new ATOM 0 HG22 ILE A 27 9.524 21.104 13.146 1.00 1.21 H new ATOM 0 HG23 ILE A 27 9.885 19.525 13.884 1.00 1.21 H new ATOM 0 HD11 ILE A 27 12.439 18.419 16.335 1.00 1.09 H new ATOM 0 HD12 ILE A 27 10.994 18.458 15.297 1.00 1.09 H new ATOM 0 HD13 ILE A 27 12.616 18.487 14.565 1.00 1.09 H new ATOM 433 N TYR A 28 11.173 22.422 11.661 1.00 0.55 N ATOM 434 CA TYR A 28 10.653 23.107 10.428 1.00 0.51 C ATOM 435 C TYR A 28 11.316 22.623 9.108 1.00 0.33 C ATOM 436 O TYR A 28 10.681 22.133 8.192 1.00 0.37 O ATOM 437 CB TYR A 28 10.881 24.606 10.555 1.00 0.61 C ATOM 438 CG TYR A 28 10.026 25.256 9.469 1.00 0.76 C ATOM 439 CD1 TYR A 28 8.669 25.386 9.686 1.00 2.96 C ATOM 440 CD2 TYR A 28 10.571 25.695 8.278 1.00 1.96 C ATOM 441 CE1 TYR A 28 7.867 25.949 8.724 1.00 3.22 C ATOM 442 CE2 TYR A 28 9.759 26.261 7.312 1.00 1.74 C ATOM 443 CZ TYR A 28 8.396 26.387 7.538 1.00 1.23 C ATOM 444 OH TYR A 28 7.530 26.922 6.610 1.00 1.55 O ATOM 0 H TYR A 28 11.067 22.963 12.519 1.00 0.55 H new ATOM 0 HA TYR A 28 9.594 22.857 10.365 1.00 0.51 H new ATOM 0 HB2 TYR A 28 10.592 24.962 11.544 1.00 0.61 H new ATOM 0 HB3 TYR A 28 11.934 24.853 10.422 1.00 0.61 H new ATOM 0 HD1 TYR A 28 8.237 25.044 10.615 1.00 2.96 H new ATOM 0 HD2 TYR A 28 11.632 25.596 8.101 1.00 1.96 H new ATOM 0 HE1 TYR A 28 6.807 26.048 8.904 1.00 3.22 H new ATOM 0 HE2 TYR A 28 10.186 26.605 6.382 1.00 1.74 H new ATOM 0 HH TYR A 28 8.032 27.195 5.814 1.00 1.55 H new ATOM 454 N SER A 29 12.613 22.767 9.047 1.00 0.19 N ATOM 455 CA SER A 29 13.401 22.355 7.846 1.00 0.14 C ATOM 456 C SER A 29 13.166 20.876 7.500 1.00 0.15 C ATOM 457 O SER A 29 12.666 20.536 6.444 1.00 0.31 O ATOM 458 CB SER A 29 14.878 22.670 8.203 1.00 0.13 C ATOM 459 OG SER A 29 15.191 21.797 9.290 1.00 0.15 O ATOM 0 H SER A 29 13.175 23.164 9.800 1.00 0.19 H new ATOM 0 HA SER A 29 13.099 22.893 6.947 1.00 0.14 H new ATOM 0 HB2 SER A 29 15.536 22.492 7.352 1.00 0.13 H new ATOM 0 HB3 SER A 29 15.001 23.715 8.488 1.00 0.13 H new ATOM 0 HG SER A 29 14.856 22.183 10.126 1.00 0.15 H new ATOM 465 N HIS A 30 13.534 20.029 8.413 1.00 0.07 N ATOM 466 CA HIS A 30 13.377 18.565 8.237 1.00 0.11 C ATOM 467 C HIS A 30 11.895 18.226 7.991 1.00 0.13 C ATOM 468 O HIS A 30 11.609 17.288 7.280 1.00 0.08 O ATOM 469 CB HIS A 30 13.925 17.892 9.506 1.00 0.15 C ATOM 470 CG HIS A 30 15.439 18.072 9.628 1.00 0.12 C ATOM 471 ND1 HIS A 30 16.080 19.190 9.730 1.00 0.18 N ATOM 472 CD2 HIS A 30 16.428 17.108 9.661 1.00 0.10 C ATOM 473 CE1 HIS A 30 17.353 18.958 9.819 1.00 0.16 C ATOM 474 NE2 HIS A 30 17.613 17.673 9.779 1.00 0.14 N ATOM 0 H HIS A 30 13.951 20.301 9.303 1.00 0.07 H new ATOM 0 HA HIS A 30 13.929 18.201 7.371 1.00 0.11 H new ATOM 0 HB2 HIS A 30 13.436 18.315 10.383 1.00 0.15 H new ATOM 0 HB3 HIS A 30 13.684 16.829 9.488 1.00 0.15 H new ATOM 0 HD1 HIS A 30 15.650 20.115 9.739 1.00 0.18 H new ATOM 0 HD2 HIS A 30 16.255 16.044 9.599 1.00 0.10 H new ATOM 0 HE1 HIS A 30 18.105 19.727 9.914 1.00 0.16 H new ATOM 482 N TYR A 31 10.981 18.971 8.554 1.00 0.24 N ATOM 483 CA TYR A 31 9.534 18.660 8.327 1.00 0.26 C ATOM 484 C TYR A 31 9.238 18.953 6.861 1.00 0.28 C ATOM 485 O TYR A 31 8.626 18.155 6.171 1.00 0.26 O ATOM 486 CB TYR A 31 8.650 19.556 9.207 1.00 0.18 C ATOM 487 CG TYR A 31 7.165 19.223 8.978 1.00 0.28 C ATOM 488 CD1 TYR A 31 6.475 19.827 7.945 1.00 2.68 C ATOM 489 CD2 TYR A 31 6.492 18.326 9.791 1.00 2.05 C ATOM 490 CE1 TYR A 31 5.146 19.540 7.736 1.00 2.75 C ATOM 491 CE2 TYR A 31 5.156 18.043 9.571 1.00 1.97 C ATOM 492 CZ TYR A 31 4.482 18.654 8.541 1.00 0.44 C ATOM 493 OH TYR A 31 3.148 18.404 8.302 1.00 0.48 O ATOM 0 H TYR A 31 11.168 19.773 9.155 1.00 0.24 H new ATOM 0 HA TYR A 31 9.326 17.620 8.578 1.00 0.26 H new ATOM 0 HB2 TYR A 31 8.905 19.413 10.257 1.00 0.18 H new ATOM 0 HB3 TYR A 31 8.836 20.604 8.974 1.00 0.18 H new ATOM 0 HD1 TYR A 31 6.981 20.528 7.298 1.00 2.68 H new ATOM 0 HD2 TYR A 31 7.015 17.843 10.604 1.00 2.05 H new ATOM 0 HE1 TYR A 31 4.619 20.021 6.925 1.00 2.75 H new ATOM 0 HE2 TYR A 31 4.642 17.340 10.210 1.00 1.97 H new ATOM 0 HH TYR A 31 2.815 17.753 8.955 1.00 0.48 H new ATOM 503 N LYS A 32 9.677 20.096 6.414 1.00 0.35 N ATOM 504 CA LYS A 32 9.394 20.396 4.982 1.00 0.40 C ATOM 505 C LYS A 32 10.053 19.312 4.130 1.00 0.41 C ATOM 506 O LYS A 32 9.388 18.708 3.315 1.00 0.42 O ATOM 507 CB LYS A 32 9.948 21.746 4.626 1.00 0.37 C ATOM 508 CG LYS A 32 9.302 22.871 5.413 1.00 0.29 C ATOM 509 CD LYS A 32 7.821 23.029 4.969 1.00 0.69 C ATOM 510 CE LYS A 32 7.293 24.248 5.679 1.00 1.07 C ATOM 511 NZ LYS A 32 5.885 24.526 5.272 1.00 1.70 N ATOM 0 H LYS A 32 10.191 20.801 6.942 1.00 0.35 H new ATOM 0 HA LYS A 32 8.319 20.409 4.801 1.00 0.40 H new ATOM 0 HB2 LYS A 32 11.023 21.752 4.807 1.00 0.37 H new ATOM 0 HB3 LYS A 32 9.803 21.924 3.560 1.00 0.37 H new ATOM 0 HG2 LYS A 32 9.352 22.658 6.481 1.00 0.29 H new ATOM 0 HG3 LYS A 32 9.844 23.802 5.248 1.00 0.29 H new ATOM 0 HD2 LYS A 32 7.750 23.148 3.888 1.00 0.69 H new ATOM 0 HD3 LYS A 32 7.240 22.145 5.231 1.00 0.69 H new ATOM 0 HE2 LYS A 32 7.342 24.097 6.757 1.00 1.07 H new ATOM 0 HE3 LYS A 32 7.920 25.109 5.449 1.00 1.07 H new ATOM 0 HZ1 LYS A 32 5.539 25.370 5.772 1.00 1.70 H new ATOM 0 HZ2 LYS A 32 5.846 24.692 4.246 1.00 1.70 H new ATOM 0 HZ3 LYS A 32 5.286 23.711 5.514 1.00 1.70 H new ATOM 525 N GLN A 33 11.322 19.070 4.331 1.00 0.39 N ATOM 526 CA GLN A 33 12.004 18.005 3.506 1.00 0.34 C ATOM 527 C GLN A 33 11.324 16.619 3.637 1.00 0.30 C ATOM 528 O GLN A 33 11.165 15.927 2.654 1.00 0.38 O ATOM 529 CB GLN A 33 13.475 17.946 3.954 1.00 0.43 C ATOM 530 CG GLN A 33 14.339 17.096 2.964 1.00 0.86 C ATOM 531 CD GLN A 33 14.111 17.535 1.510 1.00 1.05 C ATOM 532 OE1 GLN A 33 13.966 18.709 1.242 1.00 3.42 O ATOM 533 NE2 GLN A 33 14.087 16.644 0.568 1.00 0.37 N ATOM 0 H GLN A 33 11.912 19.547 5.013 1.00 0.39 H new ATOM 0 HA GLN A 33 11.929 18.266 2.450 1.00 0.34 H new ATOM 0 HB2 GLN A 33 13.879 18.957 4.017 1.00 0.43 H new ATOM 0 HB3 GLN A 33 13.536 17.516 4.954 1.00 0.43 H new ATOM 0 HG2 GLN A 33 15.394 17.200 3.217 1.00 0.86 H new ATOM 0 HG3 GLN A 33 14.088 16.041 3.072 1.00 0.86 H new ATOM 0 HE21 GLN A 33 14.209 15.657 0.796 1.00 0.37 H new ATOM 0 HE22 GLN A 33 13.946 16.930 -0.401 1.00 0.37 H new ATOM 542 N ALA A 34 10.962 16.250 4.832 1.00 0.20 N ATOM 543 CA ALA A 34 10.290 14.944 5.105 1.00 0.17 C ATOM 544 C ALA A 34 8.849 14.868 4.528 1.00 0.19 C ATOM 545 O ALA A 34 8.413 13.779 4.204 1.00 0.35 O ATOM 546 CB ALA A 34 10.280 14.760 6.630 1.00 0.14 C ATOM 0 H ALA A 34 11.109 16.821 5.664 1.00 0.20 H new ATOM 0 HA ALA A 34 10.839 14.144 4.608 1.00 0.17 H new ATOM 0 HB1 ALA A 34 9.797 13.815 6.879 1.00 0.14 H new ATOM 0 HB2 ALA A 34 11.304 14.753 7.002 1.00 0.14 H new ATOM 0 HB3 ALA A 34 9.732 15.581 7.092 1.00 0.14 H new ATOM 552 N THR A 35 8.167 15.992 4.419 1.00 0.31 N ATOM 553 CA THR A 35 6.743 15.988 3.867 1.00 0.27 C ATOM 554 C THR A 35 6.449 16.703 2.554 1.00 0.25 C ATOM 555 O THR A 35 5.751 16.179 1.710 1.00 0.24 O ATOM 556 CB THR A 35 5.756 16.601 4.870 1.00 0.32 C ATOM 557 OG1 THR A 35 6.128 17.963 4.957 1.00 0.38 O ATOM 558 CG2 THR A 35 6.017 16.135 6.270 1.00 0.46 C ATOM 0 H THR A 35 8.522 16.911 4.683 1.00 0.31 H new ATOM 0 HA THR A 35 6.625 14.921 3.679 1.00 0.27 H new ATOM 0 HB THR A 35 4.742 16.364 4.549 1.00 0.32 H new ATOM 0 HG1 THR A 35 7.020 18.034 5.356 1.00 0.38 H new ATOM 0 HG21 THR A 35 5.296 16.593 6.946 1.00 0.46 H new ATOM 0 HG22 THR A 35 5.920 15.050 6.317 1.00 0.46 H new ATOM 0 HG23 THR A 35 7.026 16.422 6.567 1.00 0.46 H new ATOM 566 N VAL A 36 6.987 17.875 2.432 1.00 0.47 N ATOM 567 CA VAL A 36 6.810 18.738 1.212 1.00 0.53 C ATOM 568 C VAL A 36 7.829 18.326 0.140 1.00 0.60 C ATOM 569 O VAL A 36 7.535 18.231 -1.040 1.00 0.70 O ATOM 570 CB VAL A 36 7.004 20.231 1.649 1.00 0.44 C ATOM 571 CG1 VAL A 36 6.825 21.159 0.433 1.00 0.64 C ATOM 572 CG2 VAL A 36 5.955 20.607 2.716 1.00 0.56 C ATOM 0 H VAL A 36 7.570 18.299 3.153 1.00 0.47 H new ATOM 0 HA VAL A 36 5.816 18.617 0.782 1.00 0.53 H new ATOM 0 HB VAL A 36 8.007 20.347 2.060 1.00 0.44 H new ATOM 0 HG11 VAL A 36 6.961 22.195 0.743 1.00 0.64 H new ATOM 0 HG12 VAL A 36 7.564 20.908 -0.328 1.00 0.64 H new ATOM 0 HG13 VAL A 36 5.823 21.032 0.022 1.00 0.64 H new ATOM 0 HG21 VAL A 36 6.096 21.646 3.015 1.00 0.56 H new ATOM 0 HG22 VAL A 36 4.954 20.481 2.303 1.00 0.56 H new ATOM 0 HG23 VAL A 36 6.072 19.960 3.585 1.00 0.56 H new ATOM 582 N GLY A 37 9.017 18.108 0.634 1.00 0.57 N ATOM 583 CA GLY A 37 10.194 17.690 -0.194 1.00 0.63 C ATOM 584 C GLY A 37 11.240 18.793 -0.331 1.00 0.59 C ATOM 585 O GLY A 37 11.376 19.697 0.482 1.00 0.58 O ATOM 0 H GLY A 37 9.232 18.207 1.626 1.00 0.57 H new ATOM 0 HA2 GLY A 37 10.656 16.811 0.256 1.00 0.63 H new ATOM 0 HA3 GLY A 37 9.849 17.397 -1.186 1.00 0.63 H new ATOM 589 N ASP A 38 11.986 18.636 -1.390 1.00 0.58 N ATOM 590 CA ASP A 38 13.047 19.578 -1.746 1.00 0.55 C ATOM 591 C ASP A 38 12.408 20.960 -1.871 1.00 0.51 C ATOM 592 O ASP A 38 11.494 21.145 -2.658 1.00 0.60 O ATOM 593 CB ASP A 38 13.637 19.154 -3.088 1.00 0.57 C ATOM 594 CG ASP A 38 13.832 17.669 -3.317 1.00 0.86 C ATOM 595 OD1 ASP A 38 13.710 16.907 -2.373 1.00 0.32 O ATOM 596 OD2 ASP A 38 14.104 17.432 -4.482 1.00 1.80 O ATOM 0 H ASP A 38 11.887 17.856 -2.040 1.00 0.58 H new ATOM 0 HA ASP A 38 13.838 19.596 -0.996 1.00 0.55 H new ATOM 0 HB2 ASP A 38 12.990 19.536 -3.878 1.00 0.57 H new ATOM 0 HB3 ASP A 38 14.604 19.644 -3.203 1.00 0.57 H new ATOM 601 N ILE A 39 12.871 21.906 -1.102 1.00 0.42 N ATOM 602 CA ILE A 39 12.259 23.257 -1.219 1.00 0.47 C ATOM 603 C ILE A 39 12.066 23.621 -2.685 1.00 0.50 C ATOM 604 O ILE A 39 12.947 23.470 -3.518 1.00 0.53 O ATOM 605 CB ILE A 39 13.153 24.305 -0.560 1.00 0.62 C ATOM 606 CG1 ILE A 39 12.246 25.549 -0.355 1.00 0.99 C ATOM 607 CG2 ILE A 39 14.360 24.702 -1.431 1.00 0.53 C ATOM 608 CD1 ILE A 39 12.715 26.104 0.998 1.00 1.41 C ATOM 0 H ILE A 39 13.622 21.808 -0.419 1.00 0.42 H new ATOM 0 HA ILE A 39 11.292 23.238 -0.716 1.00 0.47 H new ATOM 0 HB ILE A 39 13.566 23.906 0.366 1.00 0.62 H new ATOM 0 HG12 ILE A 39 12.374 26.277 -1.156 1.00 0.99 H new ATOM 0 HG13 ILE A 39 11.190 25.279 -0.336 1.00 0.99 H new ATOM 0 HG21 ILE A 39 14.956 25.449 -0.908 1.00 0.53 H new ATOM 0 HG22 ILE A 39 14.972 23.822 -1.627 1.00 0.53 H new ATOM 0 HG23 ILE A 39 14.007 25.116 -2.375 1.00 0.53 H new ATOM 0 HD11 ILE A 39 12.137 26.994 1.246 1.00 1.41 H new ATOM 0 HD12 ILE A 39 12.570 25.349 1.771 1.00 1.41 H new ATOM 0 HD13 ILE A 39 13.772 26.363 0.938 1.00 1.41 H new ATOM 620 N ASN A 40 10.884 24.071 -2.951 1.00 0.86 N ATOM 621 CA ASN A 40 10.639 24.469 -4.341 1.00 1.27 C ATOM 622 C ASN A 40 11.313 25.853 -4.156 1.00 2.13 C ATOM 623 O ASN A 40 12.462 26.087 -4.476 1.00 3.79 O ATOM 624 CB ASN A 40 9.084 24.504 -4.583 1.00 1.46 C ATOM 625 CG ASN A 40 8.346 23.254 -4.076 1.00 1.04 C ATOM 626 OD1 ASN A 40 7.137 23.213 -4.114 1.00 1.78 O ATOM 627 ND2 ASN A 40 8.936 22.207 -3.592 1.00 1.26 N ATOM 0 H ASN A 40 10.109 24.177 -2.296 1.00 0.86 H new ATOM 0 HA ASN A 40 10.995 23.876 -5.183 1.00 1.27 H new ATOM 0 HB2 ASN A 40 8.669 25.383 -4.090 1.00 1.46 H new ATOM 0 HB3 ASN A 40 8.895 24.618 -5.650 1.00 1.46 H new ATOM 0 HD21 ASN A 40 8.383 21.413 -3.271 1.00 1.26 H new ATOM 0 HD22 ASN A 40 9.954 22.177 -3.532 1.00 1.26 H new ATOM 634 N THR A 41 10.529 26.732 -3.622 1.00 1.64 N ATOM 635 CA THR A 41 10.897 28.142 -3.318 1.00 2.02 C ATOM 636 C THR A 41 9.846 28.684 -2.346 1.00 0.79 C ATOM 637 O THR A 41 8.677 28.427 -2.547 1.00 3.06 O ATOM 638 CB THR A 41 10.887 29.102 -4.572 1.00 4.54 C ATOM 639 OG1 THR A 41 9.588 29.086 -5.141 1.00 5.62 O ATOM 640 CG2 THR A 41 11.730 28.625 -5.732 1.00 6.93 C ATOM 0 H THR A 41 9.567 26.512 -3.362 1.00 1.64 H new ATOM 0 HA THR A 41 11.914 28.126 -2.925 1.00 2.02 H new ATOM 0 HB THR A 41 11.246 30.057 -4.189 1.00 4.54 H new ATOM 0 HG1 THR A 41 8.950 28.726 -4.490 1.00 5.62 H new ATOM 0 HG21 THR A 41 11.665 29.344 -6.549 1.00 6.93 H new ATOM 0 HG22 THR A 41 12.768 28.531 -5.413 1.00 6.93 H new ATOM 0 HG23 THR A 41 11.366 27.656 -6.072 1.00 6.93 H new ATOM 648 N GLU A 42 10.286 29.395 -1.361 1.00 1.41 N ATOM 649 CA GLU A 42 9.384 30.032 -0.302 1.00 3.42 C ATOM 650 C GLU A 42 10.332 30.958 0.486 1.00 3.05 C ATOM 651 O GLU A 42 10.256 31.246 1.653 1.00 2.95 O ATOM 652 CB GLU A 42 8.819 28.878 0.526 1.00 5.58 C ATOM 653 CG GLU A 42 7.586 29.221 1.473 1.00 6.81 C ATOM 654 CD GLU A 42 7.854 30.210 2.626 1.00 8.36 C ATOM 655 OE1 GLU A 42 8.220 29.701 3.678 1.00 10.50 O ATOM 656 OE2 GLU A 42 7.673 31.390 2.389 1.00 7.95 O ATOM 0 H GLU A 42 11.277 29.586 -1.216 1.00 1.41 H new ATOM 0 HA GLU A 42 8.536 30.611 -0.668 1.00 3.42 H new ATOM 0 HB2 GLU A 42 8.514 28.085 -0.157 1.00 5.58 H new ATOM 0 HB3 GLU A 42 9.622 28.476 1.144 1.00 5.58 H new ATOM 0 HG2 GLU A 42 6.785 29.627 0.855 1.00 6.81 H new ATOM 0 HG3 GLU A 42 7.217 28.290 1.902 1.00 6.81 H new ATOM 663 N ARG A 43 11.256 31.403 -0.293 1.00 2.91 N ATOM 664 CA ARG A 43 12.342 32.304 0.138 1.00 2.55 C ATOM 665 C ARG A 43 11.852 33.726 0.442 1.00 2.88 C ATOM 666 O ARG A 43 11.671 34.514 -0.471 1.00 3.11 O ATOM 667 CB ARG A 43 13.310 32.209 -0.992 1.00 2.70 C ATOM 668 CG ARG A 43 14.676 32.655 -0.543 1.00 2.43 C ATOM 669 CD ARG A 43 15.616 32.552 -1.762 1.00 2.85 C ATOM 670 NE ARG A 43 17.015 32.922 -1.329 1.00 2.88 N ATOM 671 CZ ARG A 43 17.564 32.306 -0.351 1.00 2.28 C ATOM 672 NH1 ARG A 43 17.203 32.607 0.825 1.00 3.45 N ATOM 673 NH2 ARG A 43 18.435 31.411 -0.567 1.00 2.26 N ATOM 0 H ARG A 43 11.305 31.160 -1.282 1.00 2.91 H new ATOM 0 HA ARG A 43 12.795 32.022 1.089 1.00 2.55 H new ATOM 0 HB2 ARG A 43 13.356 31.183 -1.356 1.00 2.70 H new ATOM 0 HB3 ARG A 43 12.972 32.828 -1.823 1.00 2.70 H new ATOM 0 HG2 ARG A 43 14.642 33.678 -0.169 1.00 2.43 H new ATOM 0 HG3 ARG A 43 15.036 32.029 0.274 1.00 2.43 H new ATOM 0 HD2 ARG A 43 15.601 31.540 -2.166 1.00 2.85 H new ATOM 0 HD3 ARG A 43 15.278 33.217 -2.557 1.00 2.85 H new ATOM 0 HE ARG A 43 17.521 33.662 -1.815 1.00 2.88 H new ATOM 0 HH11 ARG A 43 16.492 33.324 0.973 1.00 3.45 H new ATOM 0 HH12 ARG A 43 17.623 32.133 1.624 1.00 3.45 H new ATOM 0 HH21 ARG A 43 18.701 31.179 -1.524 1.00 2.26 H new ATOM 0 HH22 ARG A 43 18.870 30.923 0.216 1.00 2.26 H new ATOM 687 N PRO A 44 11.657 34.020 1.709 1.00 2.96 N ATOM 688 CA PRO A 44 11.172 35.363 2.148 1.00 3.29 C ATOM 689 C PRO A 44 11.992 36.500 1.527 1.00 3.05 C ATOM 690 O PRO A 44 13.172 36.343 1.275 1.00 2.91 O ATOM 691 CB PRO A 44 11.252 35.301 3.689 1.00 4.20 C ATOM 692 CG PRO A 44 12.270 34.170 3.940 1.00 2.80 C ATOM 693 CD PRO A 44 11.919 33.140 2.891 1.00 2.75 C ATOM 0 HA PRO A 44 10.158 35.583 1.815 1.00 3.29 H new ATOM 0 HB2 PRO A 44 11.587 36.247 4.114 1.00 4.20 H new ATOM 0 HB3 PRO A 44 10.283 35.077 4.135 1.00 4.20 H new ATOM 0 HG2 PRO A 44 13.296 34.522 3.830 1.00 2.80 H new ATOM 0 HG3 PRO A 44 12.179 33.764 4.947 1.00 2.80 H new ATOM 0 HD2 PRO A 44 12.734 32.439 2.711 1.00 2.75 H new ATOM 0 HD3 PRO A 44 11.046 32.549 3.168 1.00 2.75 H new ATOM 701 N GLY A 45 11.377 37.626 1.299 1.00 4.06 N ATOM 702 CA GLY A 45 12.133 38.773 0.688 1.00 3.79 C ATOM 703 C GLY A 45 12.491 39.788 1.773 1.00 3.61 C ATOM 704 O GLY A 45 11.961 39.727 2.864 1.00 5.43 O ATOM 0 H GLY A 45 10.395 37.809 1.504 1.00 4.06 H new ATOM 0 HA2 GLY A 45 13.039 38.408 0.204 1.00 3.79 H new ATOM 0 HA3 GLY A 45 11.529 39.249 -0.084 1.00 3.79 H new ATOM 708 N MET A 46 13.371 40.686 1.420 1.00 2.21 N ATOM 709 CA MET A 46 13.901 41.792 2.303 1.00 2.92 C ATOM 710 C MET A 46 13.145 42.186 3.592 1.00 2.52 C ATOM 711 O MET A 46 13.750 42.573 4.571 1.00 3.06 O ATOM 712 CB MET A 46 14.062 43.054 1.421 1.00 4.02 C ATOM 713 CG MET A 46 14.804 42.713 0.099 1.00 4.66 C ATOM 714 SD MET A 46 16.090 41.438 0.162 1.00 5.59 S ATOM 715 CE MET A 46 17.421 42.419 0.901 1.00 8.25 C ATOM 0 H MET A 46 13.778 40.703 0.485 1.00 2.21 H new ATOM 0 HA MET A 46 14.822 41.369 2.703 1.00 2.92 H new ATOM 0 HB2 MET A 46 13.081 43.473 1.195 1.00 4.02 H new ATOM 0 HB3 MET A 46 14.616 43.817 1.968 1.00 4.02 H new ATOM 0 HG2 MET A 46 14.059 42.403 -0.634 1.00 4.66 H new ATOM 0 HG3 MET A 46 15.258 43.630 -0.277 1.00 4.66 H new ATOM 0 HE1 MET A 46 18.308 41.797 1.020 1.00 8.25 H new ATOM 0 HE2 MET A 46 17.654 43.263 0.252 1.00 8.25 H new ATOM 0 HE3 MET A 46 17.103 42.788 1.876 1.00 8.25 H new ATOM 725 N LEU A 47 11.850 42.085 3.555 1.00 1.93 N ATOM 726 CA LEU A 47 10.982 42.431 4.721 1.00 1.68 C ATOM 727 C LEU A 47 11.133 41.479 5.928 1.00 1.97 C ATOM 728 O LEU A 47 11.033 41.904 7.063 1.00 2.67 O ATOM 729 CB LEU A 47 9.541 42.432 4.194 1.00 1.88 C ATOM 730 CG LEU A 47 8.518 42.621 5.331 1.00 4.35 C ATOM 731 CD1 LEU A 47 8.777 43.945 6.079 1.00 4.20 C ATOM 732 CD2 LEU A 47 7.139 42.690 4.680 1.00 5.66 C ATOM 0 H LEU A 47 11.334 41.765 2.735 1.00 1.93 H new ATOM 0 HA LEU A 47 11.281 43.403 5.114 1.00 1.68 H new ATOM 0 HB2 LEU A 47 9.422 43.230 3.461 1.00 1.88 H new ATOM 0 HB3 LEU A 47 9.342 41.493 3.678 1.00 1.88 H new ATOM 0 HG LEU A 47 8.593 41.801 6.045 1.00 4.35 H new ATOM 0 HD11 LEU A 47 8.045 44.061 6.878 1.00 4.20 H new ATOM 0 HD12 LEU A 47 9.780 43.932 6.505 1.00 4.20 H new ATOM 0 HD13 LEU A 47 8.689 44.779 5.383 1.00 4.20 H new ATOM 0 HD21 LEU A 47 6.379 42.824 5.450 1.00 5.66 H new ATOM 0 HD22 LEU A 47 7.105 43.531 3.987 1.00 5.66 H new ATOM 0 HD23 LEU A 47 6.946 41.765 4.137 1.00 5.66 H new ATOM 744 N ASP A 48 11.369 40.219 5.668 1.00 1.81 N ATOM 745 CA ASP A 48 11.526 39.229 6.790 1.00 2.10 C ATOM 746 C ASP A 48 13.000 38.888 7.092 1.00 1.41 C ATOM 747 O ASP A 48 13.892 39.080 6.285 1.00 0.93 O ATOM 748 CB ASP A 48 10.728 37.944 6.404 1.00 2.70 C ATOM 749 CG ASP A 48 11.234 36.742 7.229 1.00 4.84 C ATOM 750 OD1 ASP A 48 10.753 36.493 8.319 1.00 6.80 O ATOM 751 OD2 ASP A 48 12.134 36.096 6.734 1.00 4.83 O ATOM 0 H ASP A 48 11.461 39.828 4.731 1.00 1.81 H new ATOM 0 HA ASP A 48 11.136 39.673 7.706 1.00 2.10 H new ATOM 0 HB2 ASP A 48 9.664 38.098 6.585 1.00 2.70 H new ATOM 0 HB3 ASP A 48 10.844 37.740 5.340 1.00 2.70 H new ATOM 756 N PHE A 49 13.207 38.362 8.270 1.00 1.62 N ATOM 757 CA PHE A 49 14.587 37.996 8.689 1.00 1.44 C ATOM 758 C PHE A 49 14.550 36.550 9.255 1.00 1.48 C ATOM 759 O PHE A 49 15.038 35.635 8.623 1.00 1.58 O ATOM 760 CB PHE A 49 15.002 39.122 9.713 1.00 2.13 C ATOM 761 CG PHE A 49 14.638 40.516 9.112 1.00 2.16 C ATOM 762 CD1 PHE A 49 15.279 40.992 7.982 1.00 3.94 C ATOM 763 CD2 PHE A 49 13.639 41.300 9.678 1.00 1.18 C ATOM 764 CE1 PHE A 49 14.931 42.214 7.428 1.00 3.99 C ATOM 765 CE2 PHE A 49 13.292 42.522 9.124 1.00 1.16 C ATOM 766 CZ PHE A 49 13.938 42.978 8.000 1.00 2.24 C ATOM 0 H PHE A 49 12.479 38.171 8.958 1.00 1.62 H new ATOM 0 HA PHE A 49 15.333 37.965 7.895 1.00 1.44 H new ATOM 0 HB2 PHE A 49 14.487 38.976 10.662 1.00 2.13 H new ATOM 0 HB3 PHE A 49 16.071 39.068 9.919 1.00 2.13 H new ATOM 0 HD1 PHE A 49 16.061 40.403 7.525 1.00 3.94 H new ATOM 0 HD2 PHE A 49 13.126 40.952 10.562 1.00 1.18 H new ATOM 0 HE1 PHE A 49 15.441 42.568 6.544 1.00 3.99 H new ATOM 0 HE2 PHE A 49 12.512 43.117 9.576 1.00 1.16 H new ATOM 0 HZ PHE A 49 13.668 43.930 7.568 1.00 2.24 H new ATOM 776 N LYS A 50 13.986 36.331 10.422 1.00 1.45 N ATOM 777 CA LYS A 50 13.952 34.927 10.962 1.00 1.49 C ATOM 778 C LYS A 50 13.234 33.908 10.032 1.00 1.47 C ATOM 779 O LYS A 50 13.454 32.716 10.155 1.00 1.47 O ATOM 780 CB LYS A 50 13.312 35.005 12.386 1.00 1.94 C ATOM 781 CG LYS A 50 14.306 35.838 13.272 1.00 2.15 C ATOM 782 CD LYS A 50 14.064 35.610 14.800 1.00 3.09 C ATOM 783 CE LYS A 50 14.539 34.223 15.299 1.00 5.69 C ATOM 784 NZ LYS A 50 16.009 34.078 15.069 1.00 7.45 N ATOM 0 H LYS A 50 13.557 37.043 11.013 1.00 1.45 H new ATOM 0 HA LYS A 50 14.967 34.535 11.017 1.00 1.49 H new ATOM 0 HB2 LYS A 50 12.333 35.483 12.346 1.00 1.94 H new ATOM 0 HB3 LYS A 50 13.164 34.008 12.801 1.00 1.94 H new ATOM 0 HG2 LYS A 50 15.331 35.563 13.023 1.00 2.15 H new ATOM 0 HG3 LYS A 50 14.195 36.898 13.042 1.00 2.15 H new ATOM 0 HD2 LYS A 50 14.582 36.387 15.362 1.00 3.09 H new ATOM 0 HD3 LYS A 50 13.000 35.719 15.012 1.00 3.09 H new ATOM 0 HE2 LYS A 50 14.315 34.112 16.360 1.00 5.69 H new ATOM 0 HE3 LYS A 50 14.000 33.434 14.775 1.00 5.69 H new ATOM 0 HZ1 LYS A 50 16.400 33.390 15.744 1.00 7.45 H new ATOM 0 HZ2 LYS A 50 16.177 33.745 14.098 1.00 7.45 H new ATOM 0 HZ3 LYS A 50 16.474 34.998 15.205 1.00 7.45 H new ATOM 798 N GLY A 51 12.405 34.361 9.122 1.00 1.56 N ATOM 799 CA GLY A 51 11.689 33.426 8.176 1.00 1.83 C ATOM 800 C GLY A 51 12.794 32.880 7.256 1.00 1.46 C ATOM 801 O GLY A 51 12.904 31.698 6.994 1.00 1.71 O ATOM 0 H GLY A 51 12.187 35.348 8.988 1.00 1.56 H new ATOM 0 HA2 GLY A 51 11.190 32.621 8.716 1.00 1.83 H new ATOM 0 HA3 GLY A 51 10.922 33.950 7.606 1.00 1.83 H new ATOM 805 N LYS A 52 13.598 33.789 6.777 1.00 0.97 N ATOM 806 CA LYS A 52 14.728 33.387 5.883 1.00 0.82 C ATOM 807 C LYS A 52 15.500 32.259 6.580 1.00 0.45 C ATOM 808 O LYS A 52 15.977 31.367 5.909 1.00 0.47 O ATOM 809 CB LYS A 52 15.668 34.589 5.619 1.00 0.86 C ATOM 810 CG LYS A 52 16.820 34.069 4.721 1.00 2.15 C ATOM 811 CD LYS A 52 17.788 35.191 4.312 1.00 2.34 C ATOM 812 CE LYS A 52 18.941 34.585 3.491 1.00 1.98 C ATOM 813 NZ LYS A 52 19.853 35.714 3.131 1.00 3.47 N ATOM 0 H LYS A 52 13.525 34.789 6.963 1.00 0.97 H new ATOM 0 HA LYS A 52 14.341 33.049 4.922 1.00 0.82 H new ATOM 0 HB2 LYS A 52 15.130 35.399 5.127 1.00 0.86 H new ATOM 0 HB3 LYS A 52 16.058 34.988 6.556 1.00 0.86 H new ATOM 0 HG2 LYS A 52 17.370 33.292 5.252 1.00 2.15 H new ATOM 0 HG3 LYS A 52 16.401 33.608 3.826 1.00 2.15 H new ATOM 0 HD2 LYS A 52 17.264 35.945 3.725 1.00 2.34 H new ATOM 0 HD3 LYS A 52 18.179 35.692 5.198 1.00 2.34 H new ATOM 0 HE2 LYS A 52 19.472 33.828 4.069 1.00 1.98 H new ATOM 0 HE3 LYS A 52 18.561 34.094 2.595 1.00 1.98 H new ATOM 0 HZ1 LYS A 52 20.652 35.351 2.573 1.00 3.47 H new ATOM 0 HZ2 LYS A 52 19.330 36.417 2.571 1.00 3.47 H new ATOM 0 HZ3 LYS A 52 20.212 36.160 3.999 1.00 3.47 H new ATOM 827 N ALA A 53 15.590 32.317 7.893 1.00 0.23 N ATOM 828 CA ALA A 53 16.336 31.222 8.577 1.00 0.16 C ATOM 829 C ALA A 53 15.532 29.944 8.280 1.00 0.17 C ATOM 830 O ALA A 53 16.046 29.032 7.681 1.00 0.06 O ATOM 831 CB ALA A 53 16.391 31.542 10.073 1.00 0.61 C ATOM 0 H ALA A 53 15.197 33.043 8.492 1.00 0.23 H new ATOM 0 HA ALA A 53 17.365 31.104 8.238 1.00 0.16 H new ATOM 0 HB1 ALA A 53 16.933 30.753 10.594 1.00 0.61 H new ATOM 0 HB2 ALA A 53 16.902 32.493 10.223 1.00 0.61 H new ATOM 0 HB3 ALA A 53 15.377 31.608 10.468 1.00 0.61 H new ATOM 837 N LYS A 54 14.292 29.873 8.686 1.00 0.56 N ATOM 838 CA LYS A 54 13.485 28.632 8.393 1.00 0.80 C ATOM 839 C LYS A 54 13.592 28.127 6.934 1.00 0.68 C ATOM 840 O LYS A 54 13.762 26.954 6.628 1.00 0.61 O ATOM 841 CB LYS A 54 12.003 28.920 8.717 1.00 1.23 C ATOM 842 CG LYS A 54 11.667 28.647 10.184 1.00 3.04 C ATOM 843 CD LYS A 54 12.436 29.614 11.118 1.00 5.65 C ATOM 844 CE LYS A 54 11.910 29.449 12.525 1.00 7.56 C ATOM 845 NZ LYS A 54 10.507 29.965 12.467 1.00 8.68 N ATOM 0 H LYS A 54 13.801 30.604 9.201 1.00 0.56 H new ATOM 0 HA LYS A 54 13.898 27.840 9.018 1.00 0.80 H new ATOM 0 HB2 LYS A 54 11.777 29.960 8.482 1.00 1.23 H new ATOM 0 HB3 LYS A 54 11.368 28.304 8.080 1.00 1.23 H new ATOM 0 HG2 LYS A 54 10.594 28.759 10.342 1.00 3.04 H new ATOM 0 HG3 LYS A 54 11.920 27.617 10.433 1.00 3.04 H new ATOM 0 HD2 LYS A 54 13.504 29.400 11.086 1.00 5.65 H new ATOM 0 HD3 LYS A 54 12.307 30.644 10.785 1.00 5.65 H new ATOM 0 HE2 LYS A 54 11.936 28.405 12.838 1.00 7.56 H new ATOM 0 HE3 LYS A 54 12.510 30.011 13.241 1.00 7.56 H new ATOM 0 HZ1 LYS A 54 10.256 30.392 13.381 1.00 8.68 H new ATOM 0 HZ2 LYS A 54 10.432 30.682 11.718 1.00 8.68 H new ATOM 0 HZ3 LYS A 54 9.857 29.180 12.262 1.00 8.68 H new ATOM 859 N TRP A 55 13.488 29.072 6.058 1.00 0.76 N ATOM 860 CA TRP A 55 13.552 28.759 4.628 1.00 0.85 C ATOM 861 C TRP A 55 14.867 28.199 4.181 1.00 0.64 C ATOM 862 O TRP A 55 14.957 27.095 3.684 1.00 0.63 O ATOM 863 CB TRP A 55 13.253 30.013 3.880 1.00 1.13 C ATOM 864 CG TRP A 55 12.951 29.550 2.475 1.00 1.31 C ATOM 865 CD1 TRP A 55 11.732 29.137 2.069 1.00 1.59 C ATOM 866 CD2 TRP A 55 13.833 29.472 1.468 1.00 1.34 C ATOM 867 NE1 TRP A 55 11.945 28.823 0.799 1.00 1.67 N ATOM 868 CE2 TRP A 55 13.174 28.995 0.356 1.00 1.56 C ATOM 869 CE3 TRP A 55 15.195 29.745 1.392 1.00 1.30 C ATOM 870 CZ2 TRP A 55 13.847 28.795 -0.829 1.00 1.69 C ATOM 871 CZ3 TRP A 55 15.880 29.536 0.205 1.00 1.53 C ATOM 872 CH2 TRP A 55 15.204 29.061 -0.913 1.00 1.72 C ATOM 0 H TRP A 55 13.360 30.059 6.280 1.00 0.76 H new ATOM 0 HA TRP A 55 12.822 27.975 4.426 1.00 0.85 H new ATOM 0 HB2 TRP A 55 12.405 30.542 4.315 1.00 1.13 H new ATOM 0 HB3 TRP A 55 14.100 30.698 3.899 1.00 1.13 H new ATOM 0 HD1 TRP A 55 10.815 29.077 2.636 1.00 1.59 H new ATOM 0 HE1 TRP A 55 11.200 28.469 0.199 1.00 1.67 H new ATOM 0 HE3 TRP A 55 15.719 30.120 2.259 1.00 1.30 H new ATOM 0 HZ2 TRP A 55 13.315 28.430 -1.695 1.00 1.69 H new ATOM 0 HZ3 TRP A 55 16.939 29.742 0.149 1.00 1.53 H new ATOM 0 HH2 TRP A 55 15.733 28.900 -1.841 1.00 1.72 H new ATOM 883 N ASP A 56 15.859 29.007 4.377 1.00 0.56 N ATOM 884 CA ASP A 56 17.217 28.565 3.975 1.00 0.69 C ATOM 885 C ASP A 56 17.491 27.268 4.739 1.00 0.55 C ATOM 886 O ASP A 56 17.983 26.316 4.183 1.00 0.63 O ATOM 887 CB ASP A 56 18.183 29.716 4.306 1.00 0.81 C ATOM 888 CG ASP A 56 18.213 30.686 3.127 1.00 1.10 C ATOM 889 OD1 ASP A 56 18.435 30.305 1.986 1.00 2.52 O ATOM 890 OD2 ASP A 56 18.003 31.852 3.356 1.00 0.48 O ATOM 0 H ASP A 56 15.796 29.938 4.790 1.00 0.56 H new ATOM 0 HA ASP A 56 17.334 28.351 2.913 1.00 0.69 H new ATOM 0 HB2 ASP A 56 17.861 30.231 5.211 1.00 0.81 H new ATOM 0 HB3 ASP A 56 19.182 29.326 4.500 1.00 0.81 H new ATOM 895 N ALA A 57 17.128 27.237 5.987 1.00 0.37 N ATOM 896 CA ALA A 57 17.332 26.031 6.838 1.00 0.28 C ATOM 897 C ALA A 57 16.668 24.828 6.118 1.00 0.26 C ATOM 898 O ALA A 57 17.168 23.724 6.158 1.00 0.32 O ATOM 899 CB ALA A 57 16.689 26.292 8.200 1.00 0.19 C ATOM 0 H ALA A 57 16.685 28.020 6.468 1.00 0.37 H new ATOM 0 HA ALA A 57 18.388 25.812 6.993 1.00 0.28 H new ATOM 0 HB1 ALA A 57 16.827 25.421 8.840 1.00 0.19 H new ATOM 0 HB2 ALA A 57 17.158 27.160 8.663 1.00 0.19 H new ATOM 0 HB3 ALA A 57 15.624 26.481 8.069 1.00 0.19 H new ATOM 905 N TRP A 58 15.547 25.051 5.461 1.00 0.25 N ATOM 906 CA TRP A 58 14.893 23.914 4.741 1.00 0.31 C ATOM 907 C TRP A 58 15.697 23.761 3.418 1.00 0.46 C ATOM 908 O TRP A 58 16.169 22.675 3.155 1.00 0.43 O ATOM 909 CB TRP A 58 13.467 24.279 4.492 1.00 0.38 C ATOM 910 CG TRP A 58 12.833 23.258 3.534 1.00 0.43 C ATOM 911 CD1 TRP A 58 13.311 22.016 3.134 1.00 0.46 C ATOM 912 CD2 TRP A 58 11.670 23.522 2.911 1.00 0.48 C ATOM 913 NE1 TRP A 58 12.361 21.653 2.280 1.00 0.54 N ATOM 914 CE2 TRP A 58 11.351 22.473 2.080 1.00 0.52 C ATOM 915 CE3 TRP A 58 10.813 24.621 2.999 1.00 0.51 C ATOM 916 CZ2 TRP A 58 10.190 22.494 1.318 1.00 0.54 C ATOM 917 CZ3 TRP A 58 9.646 24.654 2.245 1.00 0.52 C ATOM 918 CH2 TRP A 58 9.335 23.594 1.401 1.00 0.52 C ATOM 0 H TRP A 58 15.070 25.950 5.395 1.00 0.25 H new ATOM 0 HA TRP A 58 14.894 22.976 5.296 1.00 0.31 H new ATOM 0 HB2 TRP A 58 12.917 24.300 5.433 1.00 0.38 H new ATOM 0 HB3 TRP A 58 13.407 25.280 4.065 1.00 0.38 H new ATOM 0 HD1 TRP A 58 14.206 21.492 3.434 1.00 0.46 H new ATOM 0 HE1 TRP A 58 12.413 20.760 1.790 1.00 0.54 H new ATOM 0 HE3 TRP A 58 11.057 25.445 3.653 1.00 0.51 H new ATOM 0 HZ2 TRP A 58 9.951 21.666 0.667 1.00 0.54 H new ATOM 0 HZ3 TRP A 58 8.981 25.502 2.315 1.00 0.52 H new ATOM 0 HH2 TRP A 58 8.432 23.622 0.810 1.00 0.52 H new ATOM 929 N ASN A 59 15.827 24.768 2.595 1.00 0.65 N ATOM 930 CA ASN A 59 16.625 24.667 1.330 1.00 0.76 C ATOM 931 C ASN A 59 17.957 23.845 1.585 1.00 0.73 C ATOM 932 O ASN A 59 18.296 22.964 0.822 1.00 0.76 O ATOM 933 CB ASN A 59 16.814 26.134 0.957 1.00 0.95 C ATOM 934 CG ASN A 59 17.674 26.370 -0.254 1.00 1.70 C ATOM 935 OD1 ASN A 59 17.560 25.716 -1.271 1.00 1.90 O ATOM 936 ND2 ASN A 59 18.540 27.331 -0.143 1.00 2.28 N ATOM 0 H ASN A 59 15.403 25.683 2.749 1.00 0.65 H new ATOM 0 HA ASN A 59 16.160 24.117 0.512 1.00 0.76 H new ATOM 0 HB2 ASN A 59 15.835 26.579 0.782 1.00 0.95 H new ATOM 0 HB3 ASN A 59 17.255 26.657 1.806 1.00 0.95 H new ATOM 0 HD21 ASN A 59 19.153 27.558 -0.926 1.00 2.28 H new ATOM 0 HD22 ASN A 59 18.607 27.859 0.727 1.00 2.28 H new ATOM 943 N GLU A 60 18.643 24.172 2.657 1.00 0.70 N ATOM 944 CA GLU A 60 19.928 23.530 3.110 1.00 0.74 C ATOM 945 C GLU A 60 19.777 21.966 3.198 1.00 0.53 C ATOM 946 O GLU A 60 20.715 21.199 3.081 1.00 0.47 O ATOM 947 CB GLU A 60 20.307 24.169 4.513 1.00 0.84 C ATOM 948 CG GLU A 60 20.776 25.689 4.361 1.00 3.24 C ATOM 949 CD GLU A 60 20.819 26.520 5.684 1.00 3.61 C ATOM 950 OE1 GLU A 60 20.889 25.944 6.765 1.00 2.90 O ATOM 951 OE2 GLU A 60 20.784 27.733 5.510 1.00 4.83 O ATOM 0 H GLU A 60 18.338 24.917 3.284 1.00 0.70 H new ATOM 0 HA GLU A 60 20.727 23.716 2.392 1.00 0.74 H new ATOM 0 HB2 GLU A 60 19.447 24.118 5.181 1.00 0.84 H new ATOM 0 HB3 GLU A 60 21.104 23.586 4.975 1.00 0.84 H new ATOM 0 HG2 GLU A 60 21.770 25.700 3.914 1.00 3.24 H new ATOM 0 HG3 GLU A 60 20.106 26.189 3.661 1.00 3.24 H new ATOM 958 N LEU A 61 18.558 21.552 3.408 1.00 0.46 N ATOM 959 CA LEU A 61 18.171 20.108 3.529 1.00 0.39 C ATOM 960 C LEU A 61 17.616 19.518 2.256 1.00 0.40 C ATOM 961 O LEU A 61 17.701 18.319 2.062 1.00 0.38 O ATOM 962 CB LEU A 61 17.057 19.873 4.537 1.00 0.43 C ATOM 963 CG LEU A 61 17.380 20.353 5.923 1.00 0.36 C ATOM 964 CD1 LEU A 61 16.093 20.096 6.696 1.00 0.46 C ATOM 965 CD2 LEU A 61 18.480 19.470 6.540 1.00 0.34 C ATOM 0 H LEU A 61 17.768 22.190 3.506 1.00 0.46 H new ATOM 0 HA LEU A 61 19.112 19.642 3.821 1.00 0.39 H new ATOM 0 HB2 LEU A 61 16.154 20.376 4.190 1.00 0.43 H new ATOM 0 HB3 LEU A 61 16.834 18.807 4.575 1.00 0.43 H new ATOM 0 HG LEU A 61 17.717 21.389 5.937 1.00 0.36 H new ATOM 0 HD11 LEU A 61 16.221 20.414 7.731 1.00 0.46 H new ATOM 0 HD12 LEU A 61 15.277 20.658 6.242 1.00 0.46 H new ATOM 0 HD13 LEU A 61 15.859 19.032 6.669 1.00 0.46 H new ATOM 0 HD21 LEU A 61 18.709 19.824 7.545 1.00 0.34 H new ATOM 0 HD22 LEU A 61 18.133 18.438 6.589 1.00 0.34 H new ATOM 0 HD23 LEU A 61 19.377 19.522 5.923 1.00 0.34 H new ATOM 977 N LYS A 62 17.109 20.399 1.449 1.00 0.64 N ATOM 978 CA LYS A 62 16.464 20.097 0.151 1.00 0.82 C ATOM 979 C LYS A 62 16.606 18.772 -0.545 1.00 0.86 C ATOM 980 O LYS A 62 15.663 18.408 -1.200 1.00 0.80 O ATOM 981 CB LYS A 62 16.875 21.285 -0.774 1.00 0.91 C ATOM 982 CG LYS A 62 16.090 21.298 -2.083 1.00 1.03 C ATOM 983 CD LYS A 62 16.603 22.425 -2.997 1.00 2.04 C ATOM 984 CE LYS A 62 17.869 21.934 -3.652 1.00 1.84 C ATOM 985 NZ LYS A 62 17.494 20.762 -4.510 1.00 2.24 N ATOM 0 H LYS A 62 17.120 21.397 1.660 1.00 0.64 H new ATOM 0 HA LYS A 62 15.406 19.985 0.390 1.00 0.82 H new ATOM 0 HB2 LYS A 62 16.714 22.225 -0.247 1.00 0.91 H new ATOM 0 HB3 LYS A 62 17.941 21.220 -0.993 1.00 0.91 H new ATOM 0 HG2 LYS A 62 16.192 20.337 -2.586 1.00 1.03 H new ATOM 0 HG3 LYS A 62 15.029 21.440 -1.878 1.00 1.03 H new ATOM 0 HD2 LYS A 62 15.856 22.679 -3.749 1.00 2.04 H new ATOM 0 HD3 LYS A 62 16.795 23.329 -2.420 1.00 2.04 H new ATOM 0 HE2 LYS A 62 18.323 22.722 -4.253 1.00 1.84 H new ATOM 0 HE3 LYS A 62 18.604 21.643 -2.901 1.00 1.84 H new ATOM 0 HZ1 LYS A 62 18.060 20.775 -5.382 1.00 2.24 H new ATOM 0 HZ2 LYS A 62 17.677 19.879 -3.991 1.00 2.24 H new ATOM 0 HZ3 LYS A 62 16.484 20.818 -4.752 1.00 2.24 H new ATOM 999 N GLY A 63 17.673 18.057 -0.472 1.00 0.92 N ATOM 1000 CA GLY A 63 17.757 16.721 -1.184 1.00 0.98 C ATOM 1001 C GLY A 63 17.984 15.527 -0.221 1.00 0.86 C ATOM 1002 O GLY A 63 18.060 14.394 -0.649 1.00 1.04 O ATOM 0 H GLY A 63 18.510 18.320 0.048 1.00 0.92 H new ATOM 0 HA2 GLY A 63 16.837 16.557 -1.744 1.00 0.98 H new ATOM 0 HA3 GLY A 63 18.570 16.754 -1.909 1.00 0.98 H new ATOM 1006 N THR A 64 18.099 15.792 1.057 1.00 0.77 N ATOM 1007 CA THR A 64 18.316 14.678 2.077 1.00 0.94 C ATOM 1008 C THR A 64 17.211 13.646 1.900 1.00 1.25 C ATOM 1009 O THR A 64 16.129 14.032 1.493 1.00 1.70 O ATOM 1010 CB THR A 64 18.200 15.175 3.503 1.00 1.16 C ATOM 1011 OG1 THR A 64 19.145 16.215 3.578 1.00 0.73 O ATOM 1012 CG2 THR A 64 18.788 14.192 4.480 1.00 1.64 C ATOM 0 H THR A 64 18.054 16.730 1.455 1.00 0.77 H new ATOM 0 HA THR A 64 19.315 14.276 1.911 1.00 0.94 H new ATOM 0 HB THR A 64 17.156 15.397 3.722 1.00 1.16 H new ATOM 0 HG1 THR A 64 18.743 17.046 3.250 1.00 0.73 H new ATOM 0 HG21 THR A 64 18.687 14.581 5.493 1.00 1.64 H new ATOM 0 HG22 THR A 64 18.260 13.242 4.402 1.00 1.64 H new ATOM 0 HG23 THR A 64 19.843 14.040 4.253 1.00 1.64 H new ATOM 1020 N SER A 65 17.387 12.392 2.216 1.00 1.06 N ATOM 1021 CA SER A 65 16.207 11.498 1.969 1.00 0.95 C ATOM 1022 C SER A 65 15.024 11.818 2.876 1.00 0.72 C ATOM 1023 O SER A 65 15.184 12.118 4.051 1.00 0.83 O ATOM 1024 CB SER A 65 16.575 10.037 2.210 1.00 1.06 C ATOM 1025 OG SER A 65 15.345 9.360 1.939 1.00 3.21 O ATOM 0 H SER A 65 18.227 11.965 2.606 1.00 1.06 H new ATOM 0 HA SER A 65 15.922 11.670 0.931 1.00 0.95 H new ATOM 0 HB2 SER A 65 17.375 9.705 1.548 1.00 1.06 H new ATOM 0 HB3 SER A 65 16.915 9.867 3.232 1.00 1.06 H new ATOM 0 HG SER A 65 15.504 8.394 1.907 1.00 3.21 H new ATOM 1031 N LYS A 66 13.859 11.723 2.273 1.00 0.71 N ATOM 1032 CA LYS A 66 12.573 11.986 2.987 1.00 0.53 C ATOM 1033 C LYS A 66 12.679 11.328 4.370 1.00 0.37 C ATOM 1034 O LYS A 66 12.288 11.860 5.386 1.00 0.40 O ATOM 1035 CB LYS A 66 11.442 11.364 2.112 1.00 0.96 C ATOM 1036 CG LYS A 66 11.758 9.839 1.825 1.00 1.25 C ATOM 1037 CD LYS A 66 10.770 9.232 0.788 1.00 2.02 C ATOM 1038 CE LYS A 66 11.242 7.826 0.302 1.00 4.18 C ATOM 1039 NZ LYS A 66 11.341 6.900 1.476 1.00 4.82 N ATOM 0 H LYS A 66 13.748 11.468 1.292 1.00 0.71 H new ATOM 0 HA LYS A 66 12.357 13.044 3.133 1.00 0.53 H new ATOM 0 HB2 LYS A 66 10.483 11.456 2.623 1.00 0.96 H new ATOM 0 HB3 LYS A 66 11.356 11.909 1.172 1.00 0.96 H new ATOM 0 HG2 LYS A 66 12.779 9.742 1.455 1.00 1.25 H new ATOM 0 HG3 LYS A 66 11.701 9.274 2.756 1.00 1.25 H new ATOM 0 HD2 LYS A 66 9.779 9.150 1.233 1.00 2.02 H new ATOM 0 HD3 LYS A 66 10.681 9.902 -0.067 1.00 2.02 H new ATOM 0 HE2 LYS A 66 10.540 7.428 -0.431 1.00 4.18 H new ATOM 0 HE3 LYS A 66 12.209 7.906 -0.194 1.00 4.18 H new ATOM 0 HZ1 LYS A 66 10.880 5.997 1.246 1.00 4.82 H new ATOM 0 HZ2 LYS A 66 12.342 6.730 1.701 1.00 4.82 H new ATOM 0 HZ3 LYS A 66 10.870 7.330 2.298 1.00 4.82 H new ATOM 1053 N GLU A 67 13.262 10.163 4.279 1.00 0.46 N ATOM 1054 CA GLU A 67 13.525 9.241 5.404 1.00 0.52 C ATOM 1055 C GLU A 67 14.496 9.763 6.443 1.00 0.45 C ATOM 1056 O GLU A 67 14.213 9.617 7.611 1.00 0.49 O ATOM 1057 CB GLU A 67 14.007 7.940 4.751 1.00 0.68 C ATOM 1058 CG GLU A 67 12.780 6.978 4.675 1.00 1.81 C ATOM 1059 CD GLU A 67 13.220 5.626 4.137 1.00 1.97 C ATOM 1060 OE1 GLU A 67 13.921 5.020 4.938 1.00 3.88 O ATOM 1061 OE2 GLU A 67 12.824 5.352 3.011 1.00 1.58 O ATOM 0 H GLU A 67 13.590 9.793 3.387 1.00 0.46 H new ATOM 0 HA GLU A 67 12.616 9.101 5.990 1.00 0.52 H new ATOM 0 HB2 GLU A 67 14.406 8.134 3.755 1.00 0.68 H new ATOM 0 HB3 GLU A 67 14.811 7.492 5.334 1.00 0.68 H new ATOM 0 HG2 GLU A 67 12.337 6.860 5.664 1.00 1.81 H new ATOM 0 HG3 GLU A 67 12.011 7.404 4.030 1.00 1.81 H new ATOM 1068 N ASP A 68 15.593 10.318 6.023 1.00 0.35 N ATOM 1069 CA ASP A 68 16.567 10.855 6.989 1.00 0.32 C ATOM 1070 C ASP A 68 15.884 11.989 7.692 1.00 0.29 C ATOM 1071 O ASP A 68 15.952 12.094 8.896 1.00 0.30 O ATOM 1072 CB ASP A 68 17.748 11.230 6.153 1.00 0.15 C ATOM 1073 CG ASP A 68 18.539 9.959 6.004 1.00 0.23 C ATOM 1074 OD1 ASP A 68 19.122 9.612 7.010 1.00 2.22 O ATOM 1075 OD2 ASP A 68 18.499 9.419 4.916 1.00 2.22 O ATOM 0 H ASP A 68 15.854 10.421 5.042 1.00 0.35 H new ATOM 0 HA ASP A 68 16.910 10.180 7.773 1.00 0.32 H new ATOM 0 HB2 ASP A 68 17.438 11.618 5.183 1.00 0.15 H new ATOM 0 HB3 ASP A 68 18.340 12.009 6.633 1.00 0.15 H new ATOM 1080 N ALA A 69 15.235 12.784 6.892 1.00 0.24 N ATOM 1081 CA ALA A 69 14.494 13.950 7.453 1.00 0.18 C ATOM 1082 C ALA A 69 13.522 13.317 8.472 1.00 0.19 C ATOM 1083 O ALA A 69 13.574 13.667 9.628 1.00 0.30 O ATOM 1084 CB ALA A 69 13.790 14.640 6.296 1.00 0.22 C ATOM 0 H ALA A 69 15.184 12.680 5.879 1.00 0.24 H new ATOM 0 HA ALA A 69 15.106 14.708 7.943 1.00 0.18 H new ATOM 0 HB1 ALA A 69 13.235 15.501 6.669 1.00 0.22 H new ATOM 0 HB2 ALA A 69 14.529 14.972 5.567 1.00 0.22 H new ATOM 0 HB3 ALA A 69 13.100 13.942 5.821 1.00 0.22 H new ATOM 1090 N MET A 70 12.669 12.420 8.055 1.00 0.10 N ATOM 1091 CA MET A 70 11.716 11.753 8.972 1.00 0.15 C ATOM 1092 C MET A 70 12.402 11.273 10.270 1.00 0.17 C ATOM 1093 O MET A 70 12.086 11.715 11.352 1.00 0.18 O ATOM 1094 CB MET A 70 11.114 10.594 8.176 1.00 0.22 C ATOM 1095 CG MET A 70 9.993 11.112 7.251 1.00 0.31 C ATOM 1096 SD MET A 70 8.895 9.933 6.428 1.00 0.59 S ATOM 1097 CE MET A 70 7.621 11.126 5.939 1.00 0.08 C ATOM 0 H MET A 70 12.596 12.117 7.084 1.00 0.10 H new ATOM 0 HA MET A 70 10.941 12.443 9.306 1.00 0.15 H new ATOM 0 HB2 MET A 70 11.889 10.108 7.584 1.00 0.22 H new ATOM 0 HB3 MET A 70 10.716 9.843 8.858 1.00 0.22 H new ATOM 0 HG2 MET A 70 9.368 11.783 7.841 1.00 0.31 H new ATOM 0 HG3 MET A 70 10.464 11.715 6.475 1.00 0.31 H new ATOM 0 HE1 MET A 70 7.331 10.945 4.904 1.00 0.08 H new ATOM 0 HE2 MET A 70 6.750 11.014 6.585 1.00 0.08 H new ATOM 0 HE3 MET A 70 8.015 12.138 6.033 1.00 0.08 H new ATOM 1107 N LYS A 71 13.343 10.389 10.088 1.00 0.20 N ATOM 1108 CA LYS A 71 14.124 9.794 11.208 1.00 0.21 C ATOM 1109 C LYS A 71 14.731 10.876 12.117 1.00 0.20 C ATOM 1110 O LYS A 71 14.395 10.949 13.278 1.00 0.23 O ATOM 1111 CB LYS A 71 15.239 8.895 10.614 1.00 0.21 C ATOM 1112 CG LYS A 71 14.624 7.575 10.072 1.00 0.56 C ATOM 1113 CD LYS A 71 15.729 6.686 9.416 1.00 0.50 C ATOM 1114 CE LYS A 71 15.860 6.998 7.926 1.00 1.58 C ATOM 1115 NZ LYS A 71 14.547 6.665 7.265 1.00 4.44 N ATOM 0 H LYS A 71 13.613 10.041 9.168 1.00 0.20 H new ATOM 0 HA LYS A 71 13.453 9.198 11.827 1.00 0.21 H new ATOM 0 HB2 LYS A 71 15.754 9.423 9.811 1.00 0.21 H new ATOM 0 HB3 LYS A 71 15.984 8.672 11.378 1.00 0.21 H new ATOM 0 HG2 LYS A 71 14.145 7.029 10.885 1.00 0.56 H new ATOM 0 HG3 LYS A 71 13.849 7.802 9.340 1.00 0.56 H new ATOM 0 HD2 LYS A 71 16.683 6.857 9.914 1.00 0.50 H new ATOM 0 HD3 LYS A 71 15.483 5.633 9.552 1.00 0.50 H new ATOM 0 HE2 LYS A 71 16.106 8.049 7.777 1.00 1.58 H new ATOM 0 HE3 LYS A 71 16.668 6.415 7.484 1.00 1.58 H new ATOM 0 HZ1 LYS A 71 14.725 6.262 6.323 1.00 4.44 H new ATOM 0 HZ2 LYS A 71 14.032 5.973 7.846 1.00 4.44 H new ATOM 0 HZ3 LYS A 71 13.977 7.530 7.170 1.00 4.44 H new ATOM 1129 N ALA A 72 15.589 11.701 11.577 1.00 0.21 N ATOM 1130 CA ALA A 72 16.242 12.783 12.359 1.00 0.26 C ATOM 1131 C ALA A 72 15.193 13.643 13.078 1.00 0.24 C ATOM 1132 O ALA A 72 15.296 13.909 14.254 1.00 0.30 O ATOM 1133 CB ALA A 72 17.067 13.598 11.362 1.00 0.42 C ATOM 0 H ALA A 72 15.870 11.665 10.597 1.00 0.21 H new ATOM 0 HA ALA A 72 16.885 12.380 13.142 1.00 0.26 H new ATOM 0 HB1 ALA A 72 17.571 14.411 11.885 1.00 0.42 H new ATOM 0 HB2 ALA A 72 17.810 12.954 10.892 1.00 0.42 H new ATOM 0 HB3 ALA A 72 16.409 14.011 10.598 1.00 0.42 H new ATOM 1139 N TYR A 73 14.188 14.020 12.332 1.00 0.21 N ATOM 1140 CA TYR A 73 13.066 14.866 12.848 1.00 0.28 C ATOM 1141 C TYR A 73 12.425 14.153 14.054 1.00 0.30 C ATOM 1142 O TYR A 73 12.329 14.696 15.132 1.00 0.32 O ATOM 1143 CB TYR A 73 12.099 15.034 11.657 1.00 0.38 C ATOM 1144 CG TYR A 73 10.858 15.832 12.013 1.00 0.33 C ATOM 1145 CD1 TYR A 73 9.760 15.242 12.606 1.00 2.11 C ATOM 1146 CD2 TYR A 73 10.842 17.177 11.746 1.00 2.65 C ATOM 1147 CE1 TYR A 73 8.661 16.016 12.923 1.00 2.16 C ATOM 1148 CE2 TYR A 73 9.751 17.934 12.064 1.00 2.59 C ATOM 1149 CZ TYR A 73 8.653 17.360 12.657 1.00 0.28 C ATOM 1150 OH TYR A 73 7.565 18.133 12.997 1.00 0.29 O ATOM 0 H TYR A 73 14.095 13.767 11.348 1.00 0.21 H new ATOM 0 HA TYR A 73 13.379 15.847 13.204 1.00 0.28 H new ATOM 0 HB2 TYR A 73 12.621 15.529 10.838 1.00 0.38 H new ATOM 0 HB3 TYR A 73 11.801 14.050 11.296 1.00 0.38 H new ATOM 0 HD1 TYR A 73 9.760 14.183 12.820 1.00 2.11 H new ATOM 0 HD2 TYR A 73 11.699 17.641 11.281 1.00 2.65 H new ATOM 0 HE1 TYR A 73 7.799 15.557 13.385 1.00 2.16 H new ATOM 0 HE2 TYR A 73 9.751 18.992 11.848 1.00 2.59 H new ATOM 0 HH TYR A 73 7.730 19.063 12.736 1.00 0.29 H new ATOM 1160 N ILE A 74 12.023 12.938 13.801 1.00 0.32 N ATOM 1161 CA ILE A 74 11.373 12.083 14.846 1.00 0.42 C ATOM 1162 C ILE A 74 12.233 11.934 16.095 1.00 0.34 C ATOM 1163 O ILE A 74 11.739 12.185 17.175 1.00 0.40 O ATOM 1164 CB ILE A 74 11.079 10.681 14.261 1.00 0.50 C ATOM 1165 CG1 ILE A 74 9.977 10.756 13.164 1.00 0.48 C ATOM 1166 CG2 ILE A 74 10.571 9.772 15.417 1.00 0.78 C ATOM 1167 CD1 ILE A 74 10.103 9.518 12.272 1.00 0.49 C ATOM 0 H ILE A 74 12.119 12.487 12.891 1.00 0.32 H new ATOM 0 HA ILE A 74 10.448 12.579 15.139 1.00 0.42 H new ATOM 0 HB ILE A 74 11.989 10.282 13.812 1.00 0.50 H new ATOM 0 HG12 ILE A 74 8.988 10.796 13.621 1.00 0.48 H new ATOM 0 HG13 ILE A 74 10.091 11.664 12.572 1.00 0.48 H new ATOM 0 HG21 ILE A 74 10.356 8.776 15.029 1.00 0.78 H new ATOM 0 HG22 ILE A 74 11.337 9.703 16.189 1.00 0.78 H new ATOM 0 HG23 ILE A 74 9.663 10.199 15.843 1.00 0.78 H new ATOM 0 HD11 ILE A 74 9.339 9.550 11.495 1.00 0.49 H new ATOM 0 HD12 ILE A 74 11.090 9.501 11.810 1.00 0.49 H new ATOM 0 HD13 ILE A 74 9.970 8.620 12.875 1.00 0.49 H new ATOM 1179 N ASP A 75 13.459 11.528 15.929 1.00 0.32 N ATOM 1180 CA ASP A 75 14.365 11.359 17.081 1.00 0.47 C ATOM 1181 C ASP A 75 14.549 12.732 17.747 1.00 0.31 C ATOM 1182 O ASP A 75 14.501 12.861 18.954 1.00 0.20 O ATOM 1183 CB ASP A 75 15.607 10.723 16.451 1.00 0.67 C ATOM 1184 CG ASP A 75 15.298 9.261 16.164 1.00 1.05 C ATOM 1185 OD1 ASP A 75 14.326 9.042 15.461 1.00 2.33 O ATOM 1186 OD2 ASP A 75 16.043 8.444 16.664 1.00 2.39 O ATOM 0 H ASP A 75 13.873 11.304 15.024 1.00 0.32 H new ATOM 0 HA ASP A 75 14.024 10.722 17.897 1.00 0.47 H new ATOM 0 HB2 ASP A 75 15.875 11.243 15.531 1.00 0.67 H new ATOM 0 HB3 ASP A 75 16.460 10.806 17.124 1.00 0.67 H new ATOM 1191 N LYS A 76 14.753 13.737 16.933 1.00 0.33 N ATOM 1192 CA LYS A 76 14.931 15.114 17.484 1.00 0.25 C ATOM 1193 C LYS A 76 13.723 15.310 18.407 1.00 0.33 C ATOM 1194 O LYS A 76 13.876 15.696 19.553 1.00 0.41 O ATOM 1195 CB LYS A 76 14.893 16.138 16.371 1.00 0.46 C ATOM 1196 CG LYS A 76 15.807 17.316 16.758 1.00 1.04 C ATOM 1197 CD LYS A 76 17.299 16.871 16.530 1.00 1.59 C ATOM 1198 CE LYS A 76 18.209 18.092 16.408 1.00 1.30 C ATOM 1199 NZ LYS A 76 18.503 18.655 17.763 1.00 1.93 N ATOM 0 H LYS A 76 14.804 13.664 15.917 1.00 0.33 H new ATOM 0 HA LYS A 76 15.885 15.234 17.998 1.00 0.25 H new ATOM 0 HB2 LYS A 76 15.227 15.692 15.434 1.00 0.46 H new ATOM 0 HB3 LYS A 76 13.873 16.487 16.212 1.00 0.46 H new ATOM 0 HG2 LYS A 76 15.575 18.193 16.154 1.00 1.04 H new ATOM 0 HG3 LYS A 76 15.648 17.595 17.800 1.00 1.04 H new ATOM 0 HD2 LYS A 76 17.629 16.246 17.360 1.00 1.59 H new ATOM 0 HD3 LYS A 76 17.370 16.265 15.626 1.00 1.59 H new ATOM 0 HE2 LYS A 76 19.139 17.813 15.912 1.00 1.30 H new ATOM 0 HE3 LYS A 76 17.731 18.850 15.787 1.00 1.30 H new ATOM 0 HZ1 LYS A 76 19.123 19.485 17.667 1.00 1.93 H new ATOM 0 HZ2 LYS A 76 17.614 18.938 18.222 1.00 1.93 H new ATOM 0 HZ3 LYS A 76 18.977 17.934 18.343 1.00 1.93 H new ATOM 1213 N VAL A 77 12.536 15.038 17.902 1.00 0.37 N ATOM 1214 CA VAL A 77 11.355 15.207 18.792 1.00 0.53 C ATOM 1215 C VAL A 77 11.607 14.294 20.002 1.00 0.56 C ATOM 1216 O VAL A 77 11.487 14.798 21.088 1.00 0.68 O ATOM 1217 CB VAL A 77 10.053 14.790 18.078 1.00 0.71 C ATOM 1218 CG1 VAL A 77 8.908 14.959 19.081 1.00 0.76 C ATOM 1219 CG2 VAL A 77 9.789 15.742 16.905 1.00 0.77 C ATOM 0 H VAL A 77 12.346 14.720 16.952 1.00 0.37 H new ATOM 0 HA VAL A 77 11.234 16.250 19.084 1.00 0.53 H new ATOM 0 HB VAL A 77 10.130 13.765 17.717 1.00 0.71 H new ATOM 0 HG11 VAL A 77 7.967 14.673 18.611 1.00 0.76 H new ATOM 0 HG12 VAL A 77 9.088 14.324 19.949 1.00 0.76 H new ATOM 0 HG13 VAL A 77 8.853 16.000 19.398 1.00 0.76 H new ATOM 0 HG21 VAL A 77 8.869 15.449 16.399 1.00 0.77 H new ATOM 0 HG22 VAL A 77 9.689 16.761 17.279 1.00 0.77 H new ATOM 0 HG23 VAL A 77 10.621 15.693 16.203 1.00 0.77 H new ATOM 1229 N GLU A 78 11.919 13.025 19.854 1.00 0.55 N ATOM 1230 CA GLU A 78 12.176 12.172 21.080 1.00 0.65 C ATOM 1231 C GLU A 78 13.000 13.025 22.105 1.00 0.43 C ATOM 1232 O GLU A 78 12.653 13.069 23.277 1.00 0.42 O ATOM 1233 CB GLU A 78 12.983 10.871 20.703 1.00 0.84 C ATOM 1234 CG GLU A 78 12.036 9.655 20.368 1.00 1.64 C ATOM 1235 CD GLU A 78 11.084 9.370 21.531 1.00 1.25 C ATOM 1236 OE1 GLU A 78 11.538 9.351 22.667 1.00 2.13 O ATOM 1237 OE2 GLU A 78 9.924 9.183 21.219 1.00 3.37 O ATOM 0 H GLU A 78 12.007 12.544 18.959 1.00 0.55 H new ATOM 0 HA GLU A 78 11.224 11.863 21.512 1.00 0.65 H new ATOM 0 HB2 GLU A 78 13.622 11.078 19.844 1.00 0.84 H new ATOM 0 HB3 GLU A 78 13.639 10.601 21.530 1.00 0.84 H new ATOM 0 HG2 GLU A 78 11.462 9.873 19.467 1.00 1.64 H new ATOM 0 HG3 GLU A 78 12.635 8.769 20.157 1.00 1.64 H new ATOM 1244 N GLU A 79 14.039 13.690 21.630 1.00 0.32 N ATOM 1245 CA GLU A 79 14.914 14.553 22.515 1.00 0.34 C ATOM 1246 C GLU A 79 14.068 15.673 23.158 1.00 0.33 C ATOM 1247 O GLU A 79 13.867 15.735 24.357 1.00 0.37 O ATOM 1248 CB GLU A 79 16.067 15.301 21.708 1.00 0.58 C ATOM 1249 CG GLU A 79 17.020 14.371 20.889 1.00 0.77 C ATOM 1250 CD GLU A 79 18.049 15.176 20.047 1.00 1.14 C ATOM 1251 OE1 GLU A 79 18.520 16.201 20.510 1.00 3.07 O ATOM 1252 OE2 GLU A 79 18.333 14.725 18.948 1.00 0.77 O ATOM 0 H GLU A 79 14.323 13.672 20.651 1.00 0.32 H new ATOM 0 HA GLU A 79 15.351 13.874 23.247 1.00 0.34 H new ATOM 0 HB2 GLU A 79 15.606 16.014 21.024 1.00 0.58 H new ATOM 0 HB3 GLU A 79 16.666 15.877 22.413 1.00 0.58 H new ATOM 0 HG2 GLU A 79 17.552 13.708 21.571 1.00 0.77 H new ATOM 0 HG3 GLU A 79 16.427 13.739 20.227 1.00 0.77 H new ATOM 1259 N LEU A 80 13.586 16.513 22.287 1.00 0.24 N ATOM 1260 CA LEU A 80 12.749 17.683 22.681 1.00 0.17 C ATOM 1261 C LEU A 80 11.620 17.288 23.590 1.00 0.38 C ATOM 1262 O LEU A 80 11.186 17.998 24.463 1.00 0.92 O ATOM 1263 CB LEU A 80 12.234 18.326 21.405 1.00 0.30 C ATOM 1264 CG LEU A 80 13.441 18.667 20.517 1.00 0.73 C ATOM 1265 CD1 LEU A 80 12.950 19.314 19.241 1.00 1.26 C ATOM 1266 CD2 LEU A 80 14.371 19.636 21.252 1.00 0.89 C ATOM 0 H LEU A 80 13.743 16.435 21.282 1.00 0.24 H new ATOM 0 HA LEU A 80 13.351 18.393 23.249 1.00 0.17 H new ATOM 0 HB2 LEU A 80 11.558 17.648 20.884 1.00 0.30 H new ATOM 0 HB3 LEU A 80 11.666 19.227 21.636 1.00 0.30 H new ATOM 0 HG LEU A 80 13.988 17.754 20.284 1.00 0.73 H new ATOM 0 HD11 LEU A 80 13.802 19.559 18.606 1.00 1.26 H new ATOM 0 HD12 LEU A 80 12.291 18.625 18.714 1.00 1.26 H new ATOM 0 HD13 LEU A 80 12.404 20.226 19.482 1.00 1.26 H new ATOM 0 HD21 LEU A 80 15.224 19.874 20.617 1.00 0.89 H new ATOM 0 HD22 LEU A 80 13.829 20.552 21.489 1.00 0.89 H new ATOM 0 HD23 LEU A 80 14.723 19.174 22.174 1.00 0.89 H new ATOM 1278 N LYS A 81 11.169 16.111 23.365 1.00 0.13 N ATOM 1279 CA LYS A 81 10.057 15.539 24.151 1.00 0.40 C ATOM 1280 C LYS A 81 10.560 15.319 25.567 1.00 0.44 C ATOM 1281 O LYS A 81 9.943 15.800 26.497 1.00 0.71 O ATOM 1282 CB LYS A 81 9.675 14.263 23.422 1.00 0.56 C ATOM 1283 CG LYS A 81 9.053 13.209 24.358 1.00 0.89 C ATOM 1284 CD LYS A 81 8.616 12.009 23.488 1.00 1.73 C ATOM 1285 CE LYS A 81 7.495 12.439 22.552 1.00 0.65 C ATOM 1286 NZ LYS A 81 6.344 12.842 23.409 1.00 1.72 N ATOM 0 H LYS A 81 11.534 15.491 22.642 1.00 0.13 H new ATOM 0 HA LYS A 81 9.174 16.173 24.236 1.00 0.40 H new ATOM 0 HB2 LYS A 81 8.967 14.501 22.628 1.00 0.56 H new ATOM 0 HB3 LYS A 81 10.560 13.843 22.945 1.00 0.56 H new ATOM 0 HG2 LYS A 81 9.775 12.893 25.111 1.00 0.89 H new ATOM 0 HG3 LYS A 81 8.199 13.627 24.891 1.00 0.89 H new ATOM 0 HD2 LYS A 81 9.463 11.638 22.911 1.00 1.73 H new ATOM 0 HD3 LYS A 81 8.279 11.190 24.123 1.00 1.73 H new ATOM 0 HE2 LYS A 81 7.816 13.268 21.921 1.00 0.65 H new ATOM 0 HE3 LYS A 81 7.214 11.623 21.887 1.00 0.65 H new ATOM 0 HZ1 LYS A 81 5.574 12.151 23.303 1.00 1.72 H new ATOM 0 HZ2 LYS A 81 6.646 12.874 24.404 1.00 1.72 H new ATOM 0 HZ3 LYS A 81 6.008 13.782 23.119 1.00 1.72 H new ATOM 1300 N LYS A 82 11.676 14.627 25.664 1.00 0.38 N ATOM 1301 CA LYS A 82 12.249 14.353 27.030 1.00 0.66 C ATOM 1302 C LYS A 82 12.587 15.719 27.711 1.00 0.77 C ATOM 1303 O LYS A 82 12.251 15.970 28.848 1.00 0.88 O ATOM 1304 CB LYS A 82 13.563 13.519 26.932 1.00 0.80 C ATOM 1305 CG LYS A 82 13.421 12.151 26.223 1.00 0.43 C ATOM 1306 CD LYS A 82 12.432 11.190 26.936 1.00 1.72 C ATOM 1307 CE LYS A 82 12.634 9.722 26.445 1.00 0.87 C ATOM 1308 NZ LYS A 82 12.717 9.682 24.941 1.00 1.12 N ATOM 0 H LYS A 82 12.205 14.248 24.879 1.00 0.38 H new ATOM 0 HA LYS A 82 11.516 13.790 27.607 1.00 0.66 H new ATOM 0 HB2 LYS A 82 14.311 14.109 26.402 1.00 0.80 H new ATOM 0 HB3 LYS A 82 13.944 13.351 27.939 1.00 0.80 H new ATOM 0 HG2 LYS A 82 13.085 12.313 25.199 1.00 0.43 H new ATOM 0 HG3 LYS A 82 14.400 11.676 26.165 1.00 0.43 H new ATOM 0 HD2 LYS A 82 12.582 11.241 28.014 1.00 1.72 H new ATOM 0 HD3 LYS A 82 11.407 11.506 26.741 1.00 1.72 H new ATOM 0 HE2 LYS A 82 13.545 9.308 26.878 1.00 0.87 H new ATOM 0 HE3 LYS A 82 11.807 9.099 26.787 1.00 0.87 H new ATOM 0 HZ1 LYS A 82 12.868 8.702 24.628 1.00 1.12 H new ATOM 0 HZ2 LYS A 82 11.830 10.042 24.535 1.00 1.12 H new ATOM 0 HZ3 LYS A 82 13.510 10.274 24.621 1.00 1.12 H new ATOM 1322 N LYS A 83 13.244 16.544 26.945 1.00 0.75 N ATOM 1323 CA LYS A 83 13.727 17.929 27.295 1.00 0.83 C ATOM 1324 C LYS A 83 12.703 19.003 27.697 1.00 0.99 C ATOM 1325 O LYS A 83 12.798 19.671 28.702 1.00 1.29 O ATOM 1326 CB LYS A 83 14.489 18.385 26.084 1.00 0.50 C ATOM 1327 CG LYS A 83 15.363 19.627 26.285 1.00 0.41 C ATOM 1328 CD LYS A 83 15.684 20.093 24.850 1.00 0.34 C ATOM 1329 CE LYS A 83 16.478 21.390 24.876 1.00 0.35 C ATOM 1330 NZ LYS A 83 16.218 22.081 23.593 1.00 0.62 N ATOM 0 H LYS A 83 13.493 16.289 25.989 1.00 0.75 H new ATOM 0 HA LYS A 83 14.297 17.829 28.219 1.00 0.83 H new ATOM 0 HB2 LYS A 83 15.124 17.566 25.746 1.00 0.50 H new ATOM 0 HB3 LYS A 83 13.778 18.588 25.284 1.00 0.50 H new ATOM 0 HG2 LYS A 83 14.837 20.399 26.847 1.00 0.41 H new ATOM 0 HG3 LYS A 83 16.271 19.391 26.841 1.00 0.41 H new ATOM 0 HD2 LYS A 83 16.252 19.322 24.330 1.00 0.34 H new ATOM 0 HD3 LYS A 83 14.758 20.237 24.293 1.00 0.34 H new ATOM 0 HE2 LYS A 83 16.174 22.012 25.718 1.00 0.35 H new ATOM 0 HE3 LYS A 83 17.542 21.188 24.997 1.00 0.35 H new ATOM 0 HZ1 LYS A 83 17.021 22.701 23.364 1.00 0.62 H new ATOM 0 HZ2 LYS A 83 16.098 21.377 22.837 1.00 0.62 H new ATOM 0 HZ3 LYS A 83 15.352 22.651 23.675 1.00 0.62 H new ATOM 1344 N TYR A 84 11.755 19.121 26.831 1.00 0.89 N ATOM 1345 CA TYR A 84 10.630 20.093 26.961 1.00 1.27 C ATOM 1346 C TYR A 84 9.286 19.507 27.432 1.00 2.12 C ATOM 1347 O TYR A 84 8.614 20.169 28.194 1.00 3.02 O ATOM 1348 CB TYR A 84 10.439 20.790 25.580 1.00 1.36 C ATOM 1349 CG TYR A 84 11.619 21.709 25.238 1.00 0.98 C ATOM 1350 CD1 TYR A 84 12.068 22.635 26.157 1.00 2.60 C ATOM 1351 CD2 TYR A 84 12.237 21.638 24.003 1.00 2.46 C ATOM 1352 CE1 TYR A 84 13.110 23.476 25.847 1.00 3.05 C ATOM 1353 CE2 TYR A 84 13.282 22.487 23.699 1.00 2.12 C ATOM 1354 CZ TYR A 84 13.717 23.406 24.626 1.00 1.44 C ATOM 1355 OH TYR A 84 14.746 24.278 24.343 1.00 1.98 O ATOM 0 H TYR A 84 11.704 18.553 25.985 1.00 0.89 H new ATOM 0 HA TYR A 84 10.916 20.786 27.752 1.00 1.27 H new ATOM 0 HB2 TYR A 84 10.330 20.033 24.803 1.00 1.36 H new ATOM 0 HB3 TYR A 84 9.517 21.371 25.590 1.00 1.36 H new ATOM 0 HD1 TYR A 84 11.597 22.699 27.127 1.00 2.60 H new ATOM 0 HD2 TYR A 84 11.901 20.916 23.274 1.00 2.46 H new ATOM 0 HE1 TYR A 84 13.451 24.198 26.575 1.00 3.05 H new ATOM 0 HE2 TYR A 84 13.759 22.430 22.732 1.00 2.12 H new ATOM 0 HH TYR A 84 15.472 24.147 24.988 1.00 1.98 H new ATOM 1365 N GLY A 85 8.924 18.329 27.007 1.00 1.85 N ATOM 1366 CA GLY A 85 7.608 17.737 27.445 1.00 2.70 C ATOM 1367 C GLY A 85 6.306 18.331 26.854 1.00 3.25 C ATOM 1368 O GLY A 85 6.209 19.473 26.445 1.00 5.10 O ATOM 0 H GLY A 85 9.474 17.744 26.377 1.00 1.85 H new ATOM 0 HA2 GLY A 85 7.626 16.673 27.208 1.00 2.70 H new ATOM 0 HA3 GLY A 85 7.550 17.821 28.530 1.00 2.70 H new ATOM 1372 N ILE A 86 5.344 17.456 26.862 1.00 2.42 N ATOM 1373 CA ILE A 86 3.950 17.691 26.365 1.00 2.60 C ATOM 1374 C ILE A 86 2.914 17.545 27.520 1.00 1.86 C ATOM 1375 O ILE A 86 3.326 17.051 28.558 1.00 2.84 O ATOM 1376 CB ILE A 86 3.767 16.658 25.194 1.00 4.39 C ATOM 1377 CG1 ILE A 86 2.346 16.725 24.599 1.00 4.68 C ATOM 1378 CG2 ILE A 86 4.039 15.218 25.677 1.00 5.31 C ATOM 1379 CD1 ILE A 86 2.260 15.902 23.296 1.00 6.91 C ATOM 1380 OXT ILE A 86 1.767 17.932 27.328 1.00 2.58 O ATOM 0 H ILE A 86 5.477 16.511 27.222 1.00 2.42 H new ATOM 0 HA ILE A 86 3.784 18.704 25.999 1.00 2.60 H new ATOM 0 HB ILE A 86 4.489 16.925 24.422 1.00 4.39 H new ATOM 0 HG12 ILE A 86 1.625 16.345 25.323 1.00 4.68 H new ATOM 0 HG13 ILE A 86 2.079 17.763 24.398 1.00 4.68 H new ATOM 0 HG21 ILE A 86 3.905 14.524 24.847 1.00 5.31 H new ATOM 0 HG22 ILE A 86 5.061 15.146 26.049 1.00 5.31 H new ATOM 0 HG23 ILE A 86 3.343 14.965 26.477 1.00 5.31 H new ATOM 0 HD11 ILE A 86 1.249 15.963 22.893 1.00 6.91 H new ATOM 0 HD12 ILE A 86 2.966 16.300 22.567 1.00 6.91 H new ATOM 0 HD13 ILE A 86 2.504 14.861 23.506 1.00 6.91 H new TER 1392 ILE A 86