USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 806 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 8 ASN : amide:sc= 0.553 X(o=1.2,f=1.2) USER MOD Set 1.2: A 39 LYS NZ :NH3+ 137:sc= 0.678 (180deg=1.05) USER MOD Set 2.1: A 32 GLN : amide:sc= 0.239 X(o=1.5,f=1.2) USER MOD Set 2.2: A 37 LYS NZ :NH3+ -155:sc= 1.29 (180deg=1.01) USER MOD Set 3.1: A 27 HIS : no HE2:sc= 1.26 K(o=2.5,f=-9.7!) USER MOD Set 3.2: A 28 LYS NZ :NH3+ -172:sc= 1.24 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.19) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -45:sc= 0.509 USER MOD Single : A 22 THR OG1 : rot 121:sc= 1.06 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= 1.25 (180deg=1.11) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0.253 (180deg=0.184) USER MOD Single : A 49 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.028) USER MOD Single : A 50 MET CE :methyl -156:sc= -0.0894 (180deg=-0.282) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= 1.43 (180deg=0.797) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 40:sc= 1.22 USER MOD Single : A 79 SER OG : rot -148:sc= 1.03 USER MOD Single : A 81 LYS NZ :NH3+ -143:sc= -0.138 (180deg=-1.33!) USER MOD Single : A 83 THR OG1 : rot -108:sc= 0.965 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 168:sc= -0.0026 (180deg=-0.183) USER MOD Single : A 87 MET CE :methyl 173:sc= 0 (180deg=-0.0323) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -100:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 9.641 -4.536 8.384 1.00 0.53 N ATOM 49 CA THR A 4 10.944 -5.210 8.385 1.00 0.41 C ATOM 50 C THR A 4 10.844 -6.486 9.218 1.00 0.50 C ATOM 51 O THR A 4 11.227 -7.552 8.748 1.00 0.74 O ATOM 52 CB THR A 4 12.015 -4.256 8.953 1.00 0.55 C ATOM 53 OG1 THR A 4 12.421 -3.391 7.919 1.00 0.81 O ATOM 54 CG2 THR A 4 13.269 -4.939 9.494 1.00 0.70 C ATOM 0 HA THR A 4 11.233 -5.480 7.369 1.00 0.41 H new ATOM 0 HB THR A 4 11.547 -3.748 9.796 1.00 0.55 H new ATOM 0 HG1 THR A 4 13.102 -2.773 8.258 1.00 0.81 H new ATOM 0 HG21 THR A 4 13.960 -4.185 9.870 1.00 0.70 H new ATOM 0 HG22 THR A 4 12.994 -5.616 10.303 1.00 0.70 H new ATOM 0 HG23 THR A 4 13.749 -5.505 8.695 1.00 0.70 H new ATOM 62 N ASP A 5 10.315 -6.345 10.439 1.00 0.54 N ATOM 63 CA ASP A 5 10.161 -7.389 11.448 1.00 0.74 C ATOM 64 C ASP A 5 8.970 -8.308 11.130 1.00 0.67 C ATOM 65 O ASP A 5 9.138 -9.512 10.963 1.00 0.81 O ATOM 66 CB ASP A 5 9.994 -6.672 12.798 1.00 0.94 C ATOM 67 CG ASP A 5 9.966 -7.644 13.975 1.00 1.41 C ATOM 68 OD1 ASP A 5 11.067 -7.952 14.480 1.00 1.85 O ATOM 69 OD2 ASP A 5 8.845 -8.041 14.355 1.00 2.40 O ATOM 0 H ASP A 5 9.964 -5.444 10.764 1.00 0.54 H new ATOM 0 HA ASP A 5 11.033 -8.043 11.470 1.00 0.74 H new ATOM 0 HB2 ASP A 5 10.812 -5.965 12.934 1.00 0.94 H new ATOM 0 HB3 ASP A 5 9.071 -6.093 12.787 1.00 0.94 H new ATOM 74 N LEU A 6 7.778 -7.712 10.994 1.00 0.69 N ATOM 75 CA LEU A 6 6.512 -8.369 10.653 1.00 0.72 C ATOM 76 C LEU A 6 6.603 -9.031 9.263 1.00 0.64 C ATOM 77 O LEU A 6 6.259 -10.197 9.076 1.00 0.69 O ATOM 78 CB LEU A 6 5.395 -7.295 10.686 1.00 0.81 C ATOM 79 CG LEU A 6 4.831 -6.845 12.051 1.00 1.06 C ATOM 80 CD1 LEU A 6 3.831 -7.845 12.635 1.00 2.00 C ATOM 81 CD2 LEU A 6 5.893 -6.550 13.109 1.00 1.89 C ATOM 0 H LEU A 6 7.666 -6.707 11.126 1.00 0.69 H new ATOM 0 HA LEU A 6 6.288 -9.158 11.371 1.00 0.72 H new ATOM 0 HB2 LEU A 6 5.775 -6.409 10.178 1.00 0.81 H new ATOM 0 HB3 LEU A 6 4.561 -7.669 10.092 1.00 0.81 H new ATOM 0 HG LEU A 6 4.325 -5.909 11.814 1.00 1.06 H new ATOM 0 HD11 LEU A 6 3.467 -7.477 13.595 1.00 2.00 H new ATOM 0 HD12 LEU A 6 2.992 -7.963 11.950 1.00 2.00 H new ATOM 0 HD13 LEU A 6 4.321 -8.808 12.778 1.00 2.00 H new ATOM 0 HD21 LEU A 6 5.408 -6.241 14.035 1.00 1.89 H new ATOM 0 HD22 LEU A 6 6.484 -7.447 13.291 1.00 1.89 H new ATOM 0 HD23 LEU A 6 6.545 -5.751 12.757 1.00 1.89 H new ATOM 93 N LEU A 7 7.094 -8.260 8.284 1.00 0.63 N ATOM 94 CA LEU A 7 7.190 -8.645 6.880 1.00 0.60 C ATOM 95 C LEU A 7 8.552 -9.305 6.597 1.00 0.69 C ATOM 96 O LEU A 7 8.743 -10.466 6.944 1.00 1.42 O ATOM 97 CB LEU A 7 6.898 -7.422 5.976 1.00 0.71 C ATOM 98 CG LEU A 7 5.462 -6.865 5.950 1.00 0.89 C ATOM 99 CD1 LEU A 7 4.466 -7.938 5.520 1.00 2.15 C ATOM 100 CD2 LEU A 7 5.022 -6.240 7.274 1.00 2.56 C ATOM 0 H LEU A 7 7.446 -7.319 8.460 1.00 0.63 H new ATOM 0 HA LEU A 7 6.434 -9.395 6.646 1.00 0.60 H new ATOM 0 HB2 LEU A 7 7.563 -6.615 6.282 1.00 0.71 H new ATOM 0 HB3 LEU A 7 7.170 -7.689 4.955 1.00 0.71 H new ATOM 0 HG LEU A 7 5.472 -6.061 5.214 1.00 0.89 H new ATOM 0 HD11 LEU A 7 3.460 -7.518 5.510 1.00 2.15 H new ATOM 0 HD12 LEU A 7 4.721 -8.292 4.521 1.00 2.15 H new ATOM 0 HD13 LEU A 7 4.504 -8.772 6.221 1.00 2.15 H new ATOM 0 HD21 LEU A 7 4.001 -5.870 7.180 1.00 2.56 H new ATOM 0 HD22 LEU A 7 5.064 -6.991 8.063 1.00 2.56 H new ATOM 0 HD23 LEU A 7 5.686 -5.413 7.524 1.00 2.56 H new ATOM 112 N ASN A 8 9.456 -8.593 5.915 1.00 0.47 N ATOM 113 CA ASN A 8 10.791 -8.999 5.474 1.00 0.40 C ATOM 114 C ASN A 8 11.444 -7.775 4.808 1.00 0.35 C ATOM 115 O ASN A 8 10.940 -7.304 3.785 1.00 0.42 O ATOM 116 CB ASN A 8 10.690 -10.111 4.409 1.00 0.56 C ATOM 117 CG ASN A 8 10.735 -11.547 4.906 1.00 0.79 C ATOM 118 OD1 ASN A 8 11.312 -11.882 5.925 1.00 1.30 O ATOM 119 ND2 ASN A 8 10.161 -12.470 4.157 1.00 1.57 N ATOM 0 H ASN A 8 9.252 -7.634 5.634 1.00 0.47 H new ATOM 0 HA ASN A 8 11.365 -9.364 6.326 1.00 0.40 H new ATOM 0 HB2 ASN A 8 9.759 -9.971 3.860 1.00 0.56 H new ATOM 0 HB3 ASN A 8 11.503 -9.973 3.697 1.00 0.56 H new ATOM 0 HD21 ASN A 8 10.204 -13.451 4.434 1.00 1.57 H new ATOM 0 HD22 ASN A 8 9.675 -12.202 3.301 1.00 1.57 H new ATOM 126 N ALA A 9 12.554 -7.258 5.348 1.00 0.33 N ATOM 127 CA ALA A 9 13.255 -6.110 4.757 1.00 0.31 C ATOM 128 C ALA A 9 13.675 -6.334 3.288 1.00 0.25 C ATOM 129 O ALA A 9 13.533 -5.430 2.467 1.00 0.27 O ATOM 130 CB ALA A 9 14.466 -5.761 5.627 1.00 0.40 C ATOM 0 H ALA A 9 12.988 -7.618 6.198 1.00 0.33 H new ATOM 0 HA ALA A 9 12.555 -5.275 4.734 1.00 0.31 H new ATOM 0 HB1 ALA A 9 14.991 -4.910 5.194 1.00 0.40 H new ATOM 0 HB2 ALA A 9 14.131 -5.508 6.633 1.00 0.40 H new ATOM 0 HB3 ALA A 9 15.139 -6.617 5.674 1.00 0.40 H new ATOM 136 N GLU A 10 14.157 -7.535 2.943 1.00 0.25 N ATOM 137 CA GLU A 10 14.556 -7.917 1.578 1.00 0.29 C ATOM 138 C GLU A 10 13.385 -7.852 0.584 1.00 0.29 C ATOM 139 O GLU A 10 13.512 -7.311 -0.519 1.00 0.43 O ATOM 140 CB GLU A 10 15.135 -9.340 1.599 1.00 0.40 C ATOM 141 CG GLU A 10 16.469 -9.409 2.352 1.00 1.15 C ATOM 142 CD GLU A 10 17.017 -10.837 2.346 1.00 1.66 C ATOM 143 OE1 GLU A 10 17.487 -11.261 1.266 1.00 2.68 O ATOM 144 OE2 GLU A 10 16.951 -11.483 3.416 1.00 2.24 O ATOM 0 H GLU A 10 14.284 -8.287 3.620 1.00 0.25 H new ATOM 0 HA GLU A 10 15.307 -7.202 1.241 1.00 0.29 H new ATOM 0 HB2 GLU A 10 14.419 -10.015 2.068 1.00 0.40 H new ATOM 0 HB3 GLU A 10 15.278 -9.688 0.576 1.00 0.40 H new ATOM 0 HG2 GLU A 10 17.190 -8.735 1.889 1.00 1.15 H new ATOM 0 HG3 GLU A 10 16.331 -9.071 3.379 1.00 1.15 H new ATOM 151 N ASP A 11 12.235 -8.388 0.990 1.00 0.25 N ATOM 152 CA ASP A 11 10.998 -8.397 0.219 1.00 0.26 C ATOM 153 C ASP A 11 10.503 -6.947 0.051 1.00 0.24 C ATOM 154 O ASP A 11 10.220 -6.520 -1.069 1.00 0.26 O ATOM 155 CB ASP A 11 9.935 -9.305 0.880 1.00 0.30 C ATOM 156 CG ASP A 11 10.347 -10.737 1.279 1.00 0.73 C ATOM 157 OD1 ASP A 11 11.551 -11.068 1.258 1.00 1.94 O ATOM 158 OD2 ASP A 11 9.453 -11.493 1.733 1.00 1.75 O ATOM 0 H ASP A 11 12.138 -8.844 1.897 1.00 0.25 H new ATOM 0 HA ASP A 11 11.185 -8.817 -0.770 1.00 0.26 H new ATOM 0 HB2 ASP A 11 9.576 -8.800 1.777 1.00 0.30 H new ATOM 0 HB3 ASP A 11 9.089 -9.380 0.196 1.00 0.30 H new ATOM 163 N ILE A 12 10.489 -6.150 1.134 1.00 0.22 N ATOM 164 CA ILE A 12 10.209 -4.703 1.104 1.00 0.22 C ATOM 165 C ILE A 12 11.148 -3.949 0.154 1.00 0.22 C ATOM 166 O ILE A 12 10.682 -3.115 -0.624 1.00 0.25 O ATOM 167 CB ILE A 12 10.195 -4.112 2.542 1.00 0.29 C ATOM 168 CG1 ILE A 12 8.761 -4.046 3.110 1.00 0.44 C ATOM 169 CG2 ILE A 12 10.762 -2.693 2.658 1.00 0.41 C ATOM 170 CD1 ILE A 12 8.343 -5.367 3.737 1.00 0.55 C ATOM 0 H ILE A 12 10.676 -6.501 2.074 1.00 0.22 H new ATOM 0 HA ILE A 12 9.209 -4.564 0.693 1.00 0.22 H new ATOM 0 HB ILE A 12 10.834 -4.796 3.101 1.00 0.29 H new ATOM 0 HG12 ILE A 12 8.701 -3.254 3.856 1.00 0.44 H new ATOM 0 HG13 ILE A 12 8.065 -3.785 2.312 1.00 0.44 H new ATOM 0 HG21 ILE A 12 10.711 -2.365 3.696 1.00 0.41 H new ATOM 0 HG22 ILE A 12 11.800 -2.688 2.326 1.00 0.41 H new ATOM 0 HG23 ILE A 12 10.178 -2.016 2.034 1.00 0.41 H new ATOM 0 HD11 ILE A 12 7.328 -5.280 4.125 1.00 0.55 H new ATOM 0 HD12 ILE A 12 8.377 -6.154 2.984 1.00 0.55 H new ATOM 0 HD13 ILE A 12 9.023 -5.614 4.552 1.00 0.55 H new ATOM 182 N LYS A 13 12.453 -4.250 0.165 1.00 0.30 N ATOM 183 CA LYS A 13 13.439 -3.673 -0.750 1.00 0.41 C ATOM 184 C LYS A 13 13.038 -3.894 -2.217 1.00 0.47 C ATOM 185 O LYS A 13 13.134 -2.954 -3.013 1.00 0.59 O ATOM 186 CB LYS A 13 14.832 -4.215 -0.361 1.00 0.59 C ATOM 187 CG LYS A 13 15.876 -4.256 -1.482 1.00 1.13 C ATOM 188 CD LYS A 13 16.300 -2.861 -1.981 1.00 1.73 C ATOM 189 CE LYS A 13 16.350 -2.787 -3.516 1.00 2.74 C ATOM 190 NZ LYS A 13 15.376 -1.802 -4.046 1.00 4.12 N ATOM 0 H LYS A 13 12.858 -4.915 0.824 1.00 0.30 H new ATOM 0 HA LYS A 13 13.479 -2.588 -0.655 1.00 0.41 H new ATOM 0 HB2 LYS A 13 15.224 -3.602 0.451 1.00 0.59 H new ATOM 0 HB3 LYS A 13 14.710 -5.225 0.032 1.00 0.59 H new ATOM 0 HG2 LYS A 13 16.758 -4.789 -1.127 1.00 1.13 H new ATOM 0 HG3 LYS A 13 15.475 -4.826 -2.320 1.00 1.13 H new ATOM 0 HD2 LYS A 13 15.601 -2.114 -1.605 1.00 1.73 H new ATOM 0 HD3 LYS A 13 17.281 -2.613 -1.574 1.00 1.73 H new ATOM 0 HE2 LYS A 13 17.356 -2.513 -3.835 1.00 2.74 H new ATOM 0 HE3 LYS A 13 16.139 -3.771 -3.936 1.00 2.74 H new ATOM 0 HZ1 LYS A 13 15.495 -1.716 -5.076 1.00 4.12 H new ATOM 0 HZ2 LYS A 13 14.409 -2.122 -3.835 1.00 4.12 H new ATOM 0 HZ3 LYS A 13 15.540 -0.877 -3.600 1.00 4.12 H new ATOM 204 N LYS A 14 12.573 -5.096 -2.587 1.00 0.47 N ATOM 205 CA LYS A 14 12.007 -5.370 -3.922 1.00 0.54 C ATOM 206 C LYS A 14 10.668 -4.665 -4.153 1.00 0.53 C ATOM 207 O LYS A 14 10.457 -4.096 -5.222 1.00 0.68 O ATOM 208 CB LYS A 14 11.887 -6.885 -4.154 1.00 0.59 C ATOM 209 CG LYS A 14 13.270 -7.511 -4.385 1.00 0.87 C ATOM 210 CD LYS A 14 13.162 -9.012 -4.687 1.00 1.35 C ATOM 211 CE LYS A 14 14.516 -9.608 -5.099 1.00 2.11 C ATOM 212 NZ LYS A 14 15.495 -9.603 -3.984 1.00 3.15 N ATOM 0 H LYS A 14 12.577 -5.909 -1.970 1.00 0.47 H new ATOM 0 HA LYS A 14 12.700 -4.957 -4.656 1.00 0.54 H new ATOM 0 HB2 LYS A 14 11.410 -7.353 -3.293 1.00 0.59 H new ATOM 0 HB3 LYS A 14 11.247 -7.076 -5.016 1.00 0.59 H new ATOM 0 HG2 LYS A 14 13.766 -7.006 -5.214 1.00 0.87 H new ATOM 0 HG3 LYS A 14 13.892 -7.360 -3.502 1.00 0.87 H new ATOM 0 HD2 LYS A 14 12.787 -9.534 -3.807 1.00 1.35 H new ATOM 0 HD3 LYS A 14 12.437 -9.171 -5.485 1.00 1.35 H new ATOM 0 HE2 LYS A 14 14.370 -10.631 -5.447 1.00 2.11 H new ATOM 0 HE3 LYS A 14 14.920 -9.041 -5.937 1.00 2.11 H new ATOM 0 HZ1 LYS A 14 16.393 -10.014 -4.309 1.00 3.15 H new ATOM 0 HZ2 LYS A 14 15.656 -8.625 -3.668 1.00 3.15 H new ATOM 0 HZ3 LYS A 14 15.123 -10.166 -3.193 1.00 3.15 H new ATOM 226 N ALA A 15 9.795 -4.647 -3.150 1.00 0.42 N ATOM 227 CA ALA A 15 8.480 -4.020 -3.196 1.00 0.47 C ATOM 228 C ALA A 15 8.542 -2.512 -3.480 1.00 0.39 C ATOM 229 O ALA A 15 7.876 -2.031 -4.392 1.00 0.38 O ATOM 230 CB ALA A 15 7.809 -4.282 -1.856 1.00 0.51 C ATOM 0 H ALA A 15 9.992 -5.085 -2.250 1.00 0.42 H new ATOM 0 HA ALA A 15 7.912 -4.450 -4.021 1.00 0.47 H new ATOM 0 HB1 ALA A 15 6.818 -3.827 -1.850 1.00 0.51 H new ATOM 0 HB2 ALA A 15 7.716 -5.357 -1.700 1.00 0.51 H new ATOM 0 HB3 ALA A 15 8.411 -3.850 -1.057 1.00 0.51 H new ATOM 236 N VAL A 16 9.360 -1.755 -2.736 1.00 0.36 N ATOM 237 CA VAL A 16 9.538 -0.312 -2.970 1.00 0.34 C ATOM 238 C VAL A 16 10.070 -0.056 -4.389 1.00 0.34 C ATOM 239 O VAL A 16 9.658 0.907 -5.031 1.00 0.44 O ATOM 240 CB VAL A 16 10.420 0.321 -1.873 1.00 0.31 C ATOM 241 CG1 VAL A 16 10.761 1.795 -2.116 1.00 0.62 C ATOM 242 CG2 VAL A 16 9.726 0.219 -0.510 1.00 0.64 C ATOM 0 H VAL A 16 9.914 -2.120 -1.961 1.00 0.36 H new ATOM 0 HA VAL A 16 8.567 0.179 -2.905 1.00 0.34 H new ATOM 0 HB VAL A 16 11.352 -0.243 -1.896 1.00 0.31 H new ATOM 0 HG11 VAL A 16 11.383 2.164 -1.300 1.00 0.62 H new ATOM 0 HG12 VAL A 16 11.302 1.893 -3.057 1.00 0.62 H new ATOM 0 HG13 VAL A 16 9.841 2.378 -2.163 1.00 0.62 H new ATOM 0 HG21 VAL A 16 10.359 0.669 0.255 1.00 0.64 H new ATOM 0 HG22 VAL A 16 8.772 0.745 -0.547 1.00 0.64 H new ATOM 0 HG23 VAL A 16 9.553 -0.829 -0.267 1.00 0.64 H new ATOM 252 N GLY A 17 10.883 -0.976 -4.929 1.00 0.30 N ATOM 253 CA GLY A 17 11.243 -1.021 -6.348 1.00 0.31 C ATOM 254 C GLY A 17 10.030 -1.225 -7.265 1.00 0.30 C ATOM 255 O GLY A 17 9.858 -0.477 -8.224 1.00 0.71 O ATOM 0 H GLY A 17 11.314 -1.720 -4.381 1.00 0.30 H new ATOM 0 HA2 GLY A 17 11.746 -0.093 -6.620 1.00 0.31 H new ATOM 0 HA3 GLY A 17 11.956 -1.829 -6.511 1.00 0.31 H new ATOM 259 N ALA A 18 9.162 -2.197 -6.962 1.00 0.65 N ATOM 260 CA ALA A 18 7.930 -2.483 -7.708 1.00 0.69 C ATOM 261 C ALA A 18 6.913 -1.317 -7.767 1.00 0.76 C ATOM 262 O ALA A 18 6.047 -1.333 -8.639 1.00 1.28 O ATOM 263 CB ALA A 18 7.286 -3.756 -7.140 1.00 0.85 C ATOM 0 H ALA A 18 9.300 -2.824 -6.169 1.00 0.65 H new ATOM 0 HA ALA A 18 8.224 -2.630 -8.747 1.00 0.69 H new ATOM 0 HB1 ALA A 18 6.370 -3.976 -7.688 1.00 0.85 H new ATOM 0 HB2 ALA A 18 7.979 -4.591 -7.242 1.00 0.85 H new ATOM 0 HB3 ALA A 18 7.051 -3.606 -6.086 1.00 0.85 H new ATOM 269 N PHE A 19 7.034 -0.292 -6.908 1.00 0.65 N ATOM 270 CA PHE A 19 6.295 0.979 -7.015 1.00 0.67 C ATOM 271 C PHE A 19 7.181 2.190 -7.386 1.00 0.70 C ATOM 272 O PHE A 19 6.692 3.318 -7.366 1.00 0.75 O ATOM 273 CB PHE A 19 5.519 1.276 -5.716 1.00 0.66 C ATOM 274 CG PHE A 19 4.352 0.393 -5.302 1.00 0.69 C ATOM 275 CD1 PHE A 19 3.579 -0.276 -6.267 1.00 1.68 C ATOM 276 CD2 PHE A 19 3.921 0.383 -3.955 1.00 1.74 C ATOM 277 CE1 PHE A 19 2.401 -0.929 -5.880 1.00 1.69 C ATOM 278 CE2 PHE A 19 2.764 -0.317 -3.565 1.00 1.71 C ATOM 279 CZ PHE A 19 2.003 -0.973 -4.535 1.00 0.67 C ATOM 0 H PHE A 19 7.660 -0.323 -6.103 1.00 0.65 H new ATOM 0 HA PHE A 19 5.597 0.840 -7.840 1.00 0.67 H new ATOM 0 HB2 PHE A 19 6.240 1.262 -4.899 1.00 0.66 H new ATOM 0 HB3 PHE A 19 5.142 2.296 -5.791 1.00 0.66 H new ATOM 0 HD1 PHE A 19 3.891 -0.287 -7.301 1.00 1.68 H new ATOM 0 HD2 PHE A 19 4.490 0.922 -3.212 1.00 1.74 H new ATOM 0 HE1 PHE A 19 1.789 -1.407 -6.630 1.00 1.69 H new ATOM 0 HE2 PHE A 19 2.468 -0.347 -2.527 1.00 1.71 H new ATOM 0 HZ PHE A 19 1.111 -1.512 -4.251 1.00 0.67 H new ATOM 289 N SER A 20 8.463 2.003 -7.734 1.00 0.89 N ATOM 290 CA SER A 20 9.410 3.084 -8.061 1.00 0.95 C ATOM 291 C SER A 20 9.141 3.725 -9.442 1.00 0.76 C ATOM 292 O SER A 20 10.014 3.737 -10.314 1.00 0.93 O ATOM 293 CB SER A 20 10.847 2.554 -7.941 1.00 1.30 C ATOM 294 OG SER A 20 11.770 3.561 -8.298 1.00 2.43 O ATOM 0 H SER A 20 8.882 1.075 -7.798 1.00 0.89 H new ATOM 0 HA SER A 20 9.266 3.890 -7.341 1.00 0.95 H new ATOM 0 HB2 SER A 20 11.036 2.223 -6.920 1.00 1.30 H new ATOM 0 HB3 SER A 20 10.977 1.686 -8.587 1.00 1.30 H new ATOM 0 HG SER A 20 11.469 4.005 -9.118 1.00 2.43 H new ATOM 300 N ALA A 21 7.942 4.282 -9.628 1.00 0.59 N ATOM 301 CA ALA A 21 7.450 4.915 -10.852 1.00 0.65 C ATOM 302 C ALA A 21 6.502 6.086 -10.526 1.00 0.68 C ATOM 303 O ALA A 21 6.158 6.309 -9.367 1.00 1.32 O ATOM 304 CB ALA A 21 6.745 3.840 -11.693 1.00 0.81 C ATOM 0 H ALA A 21 7.247 4.304 -8.882 1.00 0.59 H new ATOM 0 HA ALA A 21 8.282 5.335 -11.417 1.00 0.65 H new ATOM 0 HB1 ALA A 21 6.368 4.287 -12.613 1.00 0.81 H new ATOM 0 HB2 ALA A 21 7.452 3.048 -11.938 1.00 0.81 H new ATOM 0 HB3 ALA A 21 5.914 3.422 -11.126 1.00 0.81 H new ATOM 310 N THR A 22 6.062 6.830 -11.550 1.00 0.59 N ATOM 311 CA THR A 22 5.085 7.919 -11.406 1.00 0.70 C ATOM 312 C THR A 22 3.686 7.369 -11.107 1.00 1.25 C ATOM 313 O THR A 22 3.155 7.598 -10.022 1.00 2.84 O ATOM 314 CB THR A 22 5.085 8.825 -12.656 1.00 0.66 C ATOM 315 OG1 THR A 22 4.922 8.069 -13.839 1.00 1.06 O ATOM 316 CG2 THR A 22 6.395 9.604 -12.784 1.00 1.02 C ATOM 0 H THR A 22 6.377 6.692 -12.510 1.00 0.59 H new ATOM 0 HA THR A 22 5.382 8.532 -10.555 1.00 0.70 H new ATOM 0 HB THR A 22 4.250 9.515 -12.531 1.00 0.66 H new ATOM 0 HG1 THR A 22 4.118 8.371 -14.312 1.00 1.06 H new ATOM 0 HG21 THR A 22 6.360 10.231 -13.675 1.00 1.02 H new ATOM 0 HG22 THR A 22 6.533 10.232 -11.904 1.00 1.02 H new ATOM 0 HG23 THR A 22 7.227 8.905 -12.865 1.00 1.02 H new ATOM 324 N ASP A 23 3.089 6.660 -12.074 1.00 0.50 N ATOM 325 CA ASP A 23 1.698 6.198 -12.088 1.00 0.65 C ATOM 326 C ASP A 23 1.554 4.661 -12.133 1.00 0.80 C ATOM 327 O ASP A 23 0.446 4.139 -12.028 1.00 1.29 O ATOM 328 CB ASP A 23 0.924 6.858 -13.256 1.00 0.77 C ATOM 329 CG ASP A 23 1.486 8.201 -13.751 1.00 1.72 C ATOM 330 OD1 ASP A 23 2.582 8.189 -14.362 1.00 2.75 O ATOM 331 OD2 ASP A 23 0.849 9.246 -13.484 1.00 2.81 O ATOM 0 H ASP A 23 3.594 6.378 -12.914 1.00 0.50 H new ATOM 0 HA ASP A 23 1.261 6.509 -11.139 1.00 0.65 H new ATOM 0 HB2 ASP A 23 0.904 6.162 -14.094 1.00 0.77 H new ATOM 0 HB3 ASP A 23 -0.109 7.010 -12.944 1.00 0.77 H new ATOM 336 N SER A 24 2.658 3.917 -12.289 1.00 0.56 N ATOM 337 CA SER A 24 2.657 2.481 -12.623 1.00 0.65 C ATOM 338 C SER A 24 2.538 1.576 -11.381 1.00 0.70 C ATOM 339 O SER A 24 3.314 0.641 -11.176 1.00 1.33 O ATOM 340 CB SER A 24 3.889 2.156 -13.478 1.00 0.84 C ATOM 341 OG SER A 24 3.646 0.998 -14.250 1.00 1.63 O ATOM 0 H SER A 24 3.597 4.302 -12.185 1.00 0.56 H new ATOM 0 HA SER A 24 1.763 2.266 -13.208 1.00 0.65 H new ATOM 0 HB2 SER A 24 4.121 2.997 -14.131 1.00 0.84 H new ATOM 0 HB3 SER A 24 4.757 2.001 -12.837 1.00 0.84 H new ATOM 0 HG SER A 24 4.435 0.796 -14.795 1.00 1.63 H new ATOM 347 N PHE A 25 1.575 1.882 -10.505 1.00 0.67 N ATOM 348 CA PHE A 25 1.440 1.267 -9.180 1.00 0.75 C ATOM 349 C PHE A 25 0.801 -0.134 -9.239 1.00 0.92 C ATOM 350 O PHE A 25 -0.361 -0.332 -8.865 1.00 2.30 O ATOM 351 CB PHE A 25 0.693 2.245 -8.266 1.00 1.38 C ATOM 352 CG PHE A 25 0.771 1.986 -6.769 1.00 1.82 C ATOM 353 CD1 PHE A 25 1.773 2.611 -6.002 1.00 3.51 C ATOM 354 CD2 PHE A 25 -0.226 1.241 -6.114 1.00 1.98 C ATOM 355 CE1 PHE A 25 1.716 2.585 -4.598 1.00 3.94 C ATOM 356 CE2 PHE A 25 -0.253 1.165 -4.709 1.00 2.21 C ATOM 357 CZ PHE A 25 0.693 1.874 -3.950 1.00 2.73 C ATOM 0 H PHE A 25 0.854 2.577 -10.701 1.00 0.67 H new ATOM 0 HA PHE A 25 2.429 1.086 -8.759 1.00 0.75 H new ATOM 0 HB2 PHE A 25 1.076 3.247 -8.457 1.00 1.38 H new ATOM 0 HB3 PHE A 25 -0.358 2.245 -8.556 1.00 1.38 H new ATOM 0 HD1 PHE A 25 2.591 3.114 -6.496 1.00 3.51 H new ATOM 0 HD2 PHE A 25 -0.976 0.724 -6.693 1.00 1.98 H new ATOM 0 HE1 PHE A 25 2.459 3.112 -4.017 1.00 3.94 H new ATOM 0 HE2 PHE A 25 -1.000 0.562 -4.215 1.00 2.21 H new ATOM 0 HZ PHE A 25 0.634 1.872 -2.872 1.00 2.73 H new ATOM 367 N ASP A 26 1.565 -1.131 -9.706 1.00 0.66 N ATOM 368 CA ASP A 26 1.161 -2.544 -9.739 1.00 0.63 C ATOM 369 C ASP A 26 1.097 -3.154 -8.324 1.00 0.53 C ATOM 370 O ASP A 26 1.982 -3.880 -7.866 1.00 0.60 O ATOM 371 CB ASP A 26 2.052 -3.350 -10.695 1.00 1.02 C ATOM 372 CG ASP A 26 1.524 -4.772 -10.940 1.00 1.79 C ATOM 373 OD1 ASP A 26 0.626 -5.232 -10.193 1.00 2.99 O ATOM 374 OD2 ASP A 26 2.049 -5.427 -11.870 1.00 2.58 O ATOM 0 H ASP A 26 2.501 -0.975 -10.079 1.00 0.66 H new ATOM 0 HA ASP A 26 0.147 -2.595 -10.135 1.00 0.63 H new ATOM 0 HB2 ASP A 26 2.125 -2.825 -11.647 1.00 1.02 H new ATOM 0 HB3 ASP A 26 3.060 -3.407 -10.285 1.00 1.02 H new ATOM 379 N HIS A 27 0.012 -2.834 -7.616 1.00 0.57 N ATOM 380 CA HIS A 27 -0.287 -3.247 -6.244 1.00 0.58 C ATOM 381 C HIS A 27 -0.331 -4.766 -6.091 1.00 0.48 C ATOM 382 O HIS A 27 0.183 -5.313 -5.115 1.00 0.43 O ATOM 383 CB HIS A 27 -1.593 -2.569 -5.784 1.00 0.75 C ATOM 384 CG HIS A 27 -2.641 -2.399 -6.864 1.00 1.64 C ATOM 385 ND1 HIS A 27 -2.710 -1.366 -7.778 1.00 3.24 N ATOM 386 CD2 HIS A 27 -3.667 -3.258 -7.142 1.00 2.47 C ATOM 387 CE1 HIS A 27 -3.780 -1.580 -8.558 1.00 3.79 C ATOM 388 NE2 HIS A 27 -4.373 -2.742 -8.233 1.00 3.34 N ATOM 0 H HIS A 27 -0.724 -2.246 -8.008 1.00 0.57 H new ATOM 0 HA HIS A 27 0.524 -2.918 -5.594 1.00 0.58 H new ATOM 0 HB2 HIS A 27 -2.022 -3.155 -4.971 1.00 0.75 H new ATOM 0 HB3 HIS A 27 -1.351 -1.588 -5.376 1.00 0.75 H new ATOM 0 HD1 HIS A 27 -2.063 -0.581 -7.847 1.00 3.24 H new ATOM 0 HD2 HIS A 27 -3.892 -4.172 -6.613 1.00 2.47 H new ATOM 0 HE1 HIS A 27 -4.118 -0.913 -9.337 1.00 3.79 H new ATOM 396 N LYS A 28 -0.882 -5.443 -7.101 1.00 0.52 N ATOM 397 CA LYS A 28 -0.929 -6.896 -7.244 1.00 0.55 C ATOM 398 C LYS A 28 0.484 -7.478 -7.186 1.00 0.43 C ATOM 399 O LYS A 28 0.712 -8.402 -6.404 1.00 0.49 O ATOM 400 CB LYS A 28 -1.613 -7.221 -8.578 1.00 0.75 C ATOM 401 CG LYS A 28 -3.079 -6.744 -8.655 1.00 1.45 C ATOM 402 CD LYS A 28 -3.564 -6.689 -10.111 1.00 2.35 C ATOM 403 CE LYS A 28 -3.138 -5.401 -10.831 1.00 2.45 C ATOM 404 NZ LYS A 28 -4.094 -4.292 -10.596 1.00 3.49 N ATOM 0 H LYS A 28 -1.331 -4.964 -7.882 1.00 0.52 H new ATOM 0 HA LYS A 28 -1.496 -7.343 -6.428 1.00 0.55 H new ATOM 0 HB2 LYS A 28 -1.047 -6.761 -9.388 1.00 0.75 H new ATOM 0 HB3 LYS A 28 -1.582 -8.299 -8.739 1.00 0.75 H new ATOM 0 HG2 LYS A 28 -3.715 -7.418 -8.081 1.00 1.45 H new ATOM 0 HG3 LYS A 28 -3.168 -5.757 -8.201 1.00 1.45 H new ATOM 0 HD2 LYS A 28 -3.172 -7.550 -10.653 1.00 2.35 H new ATOM 0 HD3 LYS A 28 -4.651 -6.768 -10.131 1.00 2.35 H new ATOM 0 HE2 LYS A 28 -2.147 -5.104 -10.488 1.00 2.45 H new ATOM 0 HE3 LYS A 28 -3.061 -5.592 -11.901 1.00 2.45 H new ATOM 0 HZ1 LYS A 28 -3.846 -3.485 -11.204 1.00 3.49 H new ATOM 0 HZ2 LYS A 28 -5.058 -4.611 -10.820 1.00 3.49 H new ATOM 0 HZ3 LYS A 28 -4.049 -4.000 -9.599 1.00 3.49 H new ATOM 418 N LYS A 29 1.416 -6.950 -7.995 1.00 0.42 N ATOM 419 CA LYS A 29 2.809 -7.402 -8.047 1.00 0.41 C ATOM 420 C LYS A 29 3.644 -6.952 -6.847 1.00 0.32 C ATOM 421 O LYS A 29 4.419 -7.763 -6.353 1.00 0.34 O ATOM 422 CB LYS A 29 3.409 -6.947 -9.375 1.00 0.65 C ATOM 423 CG LYS A 29 4.752 -7.610 -9.704 1.00 1.00 C ATOM 424 CD LYS A 29 5.078 -7.457 -11.197 1.00 1.24 C ATOM 425 CE LYS A 29 4.157 -8.329 -12.070 1.00 1.94 C ATOM 426 NZ LYS A 29 3.269 -7.517 -12.937 1.00 3.39 N ATOM 0 H LYS A 29 1.216 -6.185 -8.640 1.00 0.42 H new ATOM 0 HA LYS A 29 2.823 -8.490 -7.987 1.00 0.41 H new ATOM 0 HB2 LYS A 29 2.702 -7.162 -10.176 1.00 0.65 H new ATOM 0 HB3 LYS A 29 3.544 -5.866 -9.351 1.00 0.65 H new ATOM 0 HG2 LYS A 29 5.543 -7.159 -9.105 1.00 1.00 H new ATOM 0 HG3 LYS A 29 4.716 -8.667 -9.440 1.00 1.00 H new ATOM 0 HD2 LYS A 29 4.973 -6.412 -11.488 1.00 1.24 H new ATOM 0 HD3 LYS A 29 6.117 -7.734 -11.373 1.00 1.24 H new ATOM 0 HE2 LYS A 29 4.765 -8.987 -12.691 1.00 1.94 H new ATOM 0 HE3 LYS A 29 3.550 -8.968 -11.428 1.00 1.94 H new ATOM 0 HZ1 LYS A 29 2.418 -8.066 -13.173 1.00 3.39 H new ATOM 0 HZ2 LYS A 29 2.993 -6.649 -12.435 1.00 3.39 H new ATOM 0 HZ3 LYS A 29 3.773 -7.266 -13.812 1.00 3.39 H new ATOM 440 N PHE A 30 3.441 -5.740 -6.312 1.00 0.31 N ATOM 441 CA PHE A 30 4.003 -5.321 -5.018 1.00 0.33 C ATOM 442 C PHE A 30 3.669 -6.346 -3.932 1.00 0.31 C ATOM 443 O PHE A 30 4.587 -6.902 -3.339 1.00 0.37 O ATOM 444 CB PHE A 30 3.482 -3.932 -4.633 1.00 0.39 C ATOM 445 CG PHE A 30 4.025 -3.399 -3.314 1.00 0.48 C ATOM 446 CD1 PHE A 30 3.506 -3.838 -2.078 1.00 1.76 C ATOM 447 CD2 PHE A 30 5.045 -2.434 -3.323 1.00 1.70 C ATOM 448 CE1 PHE A 30 4.046 -3.361 -0.871 1.00 1.88 C ATOM 449 CE2 PHE A 30 5.552 -1.915 -2.118 1.00 1.72 C ATOM 450 CZ PHE A 30 5.078 -2.410 -0.893 1.00 0.86 C ATOM 0 H PHE A 30 2.880 -5.019 -6.766 1.00 0.31 H new ATOM 0 HA PHE A 30 5.087 -5.265 -5.112 1.00 0.33 H new ATOM 0 HB2 PHE A 30 3.736 -3.229 -5.427 1.00 0.39 H new ATOM 0 HB3 PHE A 30 2.394 -3.969 -4.576 1.00 0.39 H new ATOM 0 HD1 PHE A 30 2.689 -4.544 -2.059 1.00 1.76 H new ATOM 0 HD2 PHE A 30 5.444 -2.087 -4.265 1.00 1.70 H new ATOM 0 HE1 PHE A 30 3.667 -3.726 0.072 1.00 1.88 H new ATOM 0 HE2 PHE A 30 6.303 -1.139 -2.135 1.00 1.72 H new ATOM 0 HZ PHE A 30 5.508 -2.059 0.033 1.00 0.86 H new ATOM 460 N PHE A 31 2.376 -6.636 -3.700 1.00 0.29 N ATOM 461 CA PHE A 31 1.921 -7.574 -2.662 1.00 0.29 C ATOM 462 C PHE A 31 2.435 -9.013 -2.848 1.00 0.30 C ATOM 463 O PHE A 31 2.437 -9.788 -1.891 1.00 0.48 O ATOM 464 CB PHE A 31 0.392 -7.575 -2.573 1.00 0.36 C ATOM 465 CG PHE A 31 -0.197 -6.611 -1.555 1.00 0.49 C ATOM 466 CD1 PHE A 31 -0.089 -5.219 -1.735 1.00 1.88 C ATOM 467 CD2 PHE A 31 -0.921 -7.111 -0.454 1.00 1.55 C ATOM 468 CE1 PHE A 31 -0.701 -4.337 -0.826 1.00 1.98 C ATOM 469 CE2 PHE A 31 -1.546 -6.233 0.447 1.00 1.59 C ATOM 470 CZ PHE A 31 -1.434 -4.845 0.261 1.00 0.86 C ATOM 0 H PHE A 31 1.612 -6.221 -4.234 1.00 0.29 H new ATOM 0 HA PHE A 31 2.352 -7.212 -1.729 1.00 0.29 H new ATOM 0 HB2 PHE A 31 -0.014 -7.333 -3.556 1.00 0.36 H new ATOM 0 HB3 PHE A 31 0.059 -8.584 -2.330 1.00 0.36 H new ATOM 0 HD1 PHE A 31 0.466 -4.827 -2.574 1.00 1.88 H new ATOM 0 HD2 PHE A 31 -0.996 -8.178 -0.302 1.00 1.55 H new ATOM 0 HE1 PHE A 31 -0.608 -3.270 -0.963 1.00 1.98 H new ATOM 0 HE2 PHE A 31 -2.111 -6.624 1.280 1.00 1.59 H new ATOM 0 HZ PHE A 31 -1.911 -4.168 0.954 1.00 0.86 H new ATOM 480 N GLN A 32 2.879 -9.361 -4.059 1.00 0.26 N ATOM 481 CA GLN A 32 3.579 -10.610 -4.366 1.00 0.28 C ATOM 482 C GLN A 32 5.086 -10.494 -4.072 1.00 0.27 C ATOM 483 O GLN A 32 5.609 -11.278 -3.282 1.00 0.29 O ATOM 484 CB GLN A 32 3.255 -11.014 -5.818 1.00 0.33 C ATOM 485 CG GLN A 32 1.797 -11.500 -5.871 1.00 0.40 C ATOM 486 CD GLN A 32 1.193 -11.616 -7.266 1.00 0.92 C ATOM 487 OE1 GLN A 32 1.589 -12.427 -8.083 1.00 1.91 O ATOM 488 NE2 GLN A 32 0.128 -10.871 -7.510 1.00 0.94 N ATOM 0 H GLN A 32 2.757 -8.763 -4.877 1.00 0.26 H new ATOM 0 HA GLN A 32 3.230 -11.411 -3.715 1.00 0.28 H new ATOM 0 HB2 GLN A 32 3.397 -10.166 -6.488 1.00 0.33 H new ATOM 0 HB3 GLN A 32 3.930 -11.802 -6.152 1.00 0.33 H new ATOM 0 HG2 GLN A 32 1.740 -12.475 -5.387 1.00 0.40 H new ATOM 0 HG3 GLN A 32 1.183 -10.817 -5.284 1.00 0.40 H new ATOM 0 HE21 GLN A 32 -0.192 -10.196 -6.816 1.00 0.94 H new ATOM 0 HE22 GLN A 32 -0.374 -10.972 -8.392 1.00 0.94 H new ATOM 497 N MET A 33 5.774 -9.496 -4.640 1.00 0.32 N ATOM 498 CA MET A 33 7.216 -9.240 -4.480 1.00 0.37 C ATOM 499 C MET A 33 7.629 -8.973 -3.022 1.00 0.38 C ATOM 500 O MET A 33 8.701 -9.400 -2.603 1.00 0.47 O ATOM 501 CB MET A 33 7.610 -8.042 -5.362 1.00 0.43 C ATOM 502 CG MET A 33 7.478 -8.343 -6.863 1.00 0.57 C ATOM 503 SD MET A 33 9.003 -8.886 -7.677 1.00 1.88 S ATOM 504 CE MET A 33 9.668 -7.271 -8.161 1.00 1.67 C ATOM 0 H MET A 33 5.324 -8.814 -5.251 1.00 0.32 H new ATOM 0 HA MET A 33 7.743 -10.143 -4.788 1.00 0.37 H new ATOM 0 HB2 MET A 33 6.981 -7.188 -5.110 1.00 0.43 H new ATOM 0 HB3 MET A 33 8.639 -7.756 -5.142 1.00 0.43 H new ATOM 0 HG2 MET A 33 6.719 -9.114 -6.997 1.00 0.57 H new ATOM 0 HG3 MET A 33 7.115 -7.447 -7.367 1.00 0.57 H new ATOM 0 HE1 MET A 33 10.616 -7.409 -8.681 1.00 1.67 H new ATOM 0 HE2 MET A 33 8.961 -6.770 -8.822 1.00 1.67 H new ATOM 0 HE3 MET A 33 9.827 -6.662 -7.271 1.00 1.67 H new ATOM 514 N VAL A 34 6.771 -8.296 -2.249 1.00 0.35 N ATOM 515 CA VAL A 34 6.912 -8.042 -0.804 1.00 0.34 C ATOM 516 C VAL A 34 6.523 -9.255 0.066 1.00 0.33 C ATOM 517 O VAL A 34 6.663 -9.212 1.287 1.00 0.37 O ATOM 518 CB VAL A 34 6.036 -6.832 -0.435 1.00 0.37 C ATOM 519 CG1 VAL A 34 4.578 -7.207 -0.266 1.00 0.45 C ATOM 520 CG2 VAL A 34 6.501 -6.104 0.830 1.00 0.37 C ATOM 0 H VAL A 34 5.917 -7.889 -2.630 1.00 0.35 H new ATOM 0 HA VAL A 34 7.965 -7.844 -0.601 1.00 0.34 H new ATOM 0 HB VAL A 34 6.145 -6.154 -1.282 1.00 0.37 H new ATOM 0 HG11 VAL A 34 4.002 -6.319 -0.006 1.00 0.45 H new ATOM 0 HG12 VAL A 34 4.199 -7.625 -1.199 1.00 0.45 H new ATOM 0 HG13 VAL A 34 4.482 -7.947 0.529 1.00 0.45 H new ATOM 0 HG21 VAL A 34 5.838 -5.262 1.030 1.00 0.37 H new ATOM 0 HG22 VAL A 34 6.479 -6.792 1.675 1.00 0.37 H new ATOM 0 HG23 VAL A 34 7.518 -5.739 0.686 1.00 0.37 H new ATOM 530 N GLY A 35 5.956 -10.310 -0.534 1.00 0.35 N ATOM 531 CA GLY A 35 5.467 -11.487 0.176 1.00 0.39 C ATOM 532 C GLY A 35 4.209 -11.277 1.030 1.00 0.37 C ATOM 533 O GLY A 35 3.847 -12.189 1.758 1.00 0.46 O ATOM 0 H GLY A 35 5.825 -10.365 -1.544 1.00 0.35 H new ATOM 0 HA2 GLY A 35 5.261 -12.269 -0.555 1.00 0.39 H new ATOM 0 HA3 GLY A 35 6.264 -11.856 0.822 1.00 0.39 H new ATOM 537 N LEU A 36 3.524 -10.128 0.965 1.00 0.35 N ATOM 538 CA LEU A 36 2.394 -9.743 1.828 1.00 0.37 C ATOM 539 C LEU A 36 1.337 -10.841 1.973 1.00 0.38 C ATOM 540 O LEU A 36 1.123 -11.362 3.062 1.00 0.42 O ATOM 541 CB LEU A 36 1.753 -8.432 1.319 1.00 0.39 C ATOM 542 CG LEU A 36 2.192 -7.218 2.143 1.00 0.54 C ATOM 543 CD1 LEU A 36 1.819 -5.872 1.512 1.00 0.48 C ATOM 544 CD2 LEU A 36 1.523 -7.273 3.497 1.00 0.82 C ATOM 0 H LEU A 36 3.751 -9.407 0.280 1.00 0.35 H new ATOM 0 HA LEU A 36 2.805 -9.585 2.825 1.00 0.37 H new ATOM 0 HB2 LEU A 36 2.024 -8.278 0.275 1.00 0.39 H new ATOM 0 HB3 LEU A 36 0.667 -8.522 1.356 1.00 0.39 H new ATOM 0 HG LEU A 36 3.279 -7.273 2.203 1.00 0.54 H new ATOM 0 HD11 LEU A 36 2.163 -5.061 2.154 1.00 0.48 H new ATOM 0 HD12 LEU A 36 2.291 -5.785 0.534 1.00 0.48 H new ATOM 0 HD13 LEU A 36 0.737 -5.811 1.399 1.00 0.48 H new ATOM 0 HD21 LEU A 36 1.831 -6.412 4.090 1.00 0.82 H new ATOM 0 HD22 LEU A 36 0.441 -7.258 3.369 1.00 0.82 H new ATOM 0 HD23 LEU A 36 1.815 -8.189 4.010 1.00 0.82 H new ATOM 556 N LYS A 37 0.723 -11.229 0.854 1.00 0.38 N ATOM 557 CA LYS A 37 -0.212 -12.370 0.733 1.00 0.40 C ATOM 558 C LYS A 37 0.339 -13.727 1.238 1.00 0.39 C ATOM 559 O LYS A 37 -0.444 -14.655 1.410 1.00 0.44 O ATOM 560 CB LYS A 37 -0.670 -12.518 -0.728 1.00 0.52 C ATOM 561 CG LYS A 37 -1.610 -11.392 -1.186 1.00 0.62 C ATOM 562 CD LYS A 37 -2.205 -11.679 -2.574 1.00 0.72 C ATOM 563 CE LYS A 37 -1.169 -11.495 -3.696 1.00 0.96 C ATOM 564 NZ LYS A 37 -1.683 -11.958 -5.009 1.00 1.43 N ATOM 0 H LYS A 37 0.863 -10.744 -0.032 1.00 0.38 H new ATOM 0 HA LYS A 37 -1.047 -12.126 1.390 1.00 0.40 H new ATOM 0 HB2 LYS A 37 0.206 -12.537 -1.376 1.00 0.52 H new ATOM 0 HB3 LYS A 37 -1.176 -13.476 -0.848 1.00 0.52 H new ATOM 0 HG2 LYS A 37 -2.416 -11.273 -0.462 1.00 0.62 H new ATOM 0 HG3 LYS A 37 -1.063 -10.449 -1.212 1.00 0.62 H new ATOM 0 HD2 LYS A 37 -2.589 -12.699 -2.600 1.00 0.72 H new ATOM 0 HD3 LYS A 37 -3.051 -11.015 -2.750 1.00 0.72 H new ATOM 0 HE2 LYS A 37 -0.893 -10.443 -3.765 1.00 0.96 H new ATOM 0 HE3 LYS A 37 -0.263 -12.047 -3.447 1.00 0.96 H new ATOM 0 HZ1 LYS A 37 -0.884 -12.219 -5.622 1.00 1.43 H new ATOM 0 HZ2 LYS A 37 -2.297 -12.786 -4.869 1.00 1.43 H new ATOM 0 HZ3 LYS A 37 -2.228 -11.194 -5.457 1.00 1.43 H new ATOM 578 N LYS A 38 1.656 -13.864 1.471 1.00 0.38 N ATOM 579 CA LYS A 38 2.324 -15.036 2.074 1.00 0.40 C ATOM 580 C LYS A 38 2.466 -14.913 3.605 1.00 0.35 C ATOM 581 O LYS A 38 2.754 -15.909 4.265 1.00 0.44 O ATOM 582 CB LYS A 38 3.676 -15.290 1.347 1.00 0.49 C ATOM 583 CG LYS A 38 4.966 -15.088 2.180 1.00 1.25 C ATOM 584 CD LYS A 38 6.241 -14.913 1.329 1.00 1.25 C ATOM 585 CE LYS A 38 7.241 -16.067 1.476 1.00 2.04 C ATOM 586 NZ LYS A 38 6.737 -17.324 0.874 1.00 3.56 N ATOM 0 H LYS A 38 2.318 -13.125 1.233 1.00 0.38 H new ATOM 0 HA LYS A 38 1.694 -15.914 1.929 1.00 0.40 H new ATOM 0 HB2 LYS A 38 3.672 -16.313 0.970 1.00 0.49 H new ATOM 0 HB3 LYS A 38 3.725 -14.631 0.480 1.00 0.49 H new ATOM 0 HG2 LYS A 38 4.842 -14.211 2.815 1.00 1.25 H new ATOM 0 HG3 LYS A 38 5.097 -15.945 2.841 1.00 1.25 H new ATOM 0 HD2 LYS A 38 5.958 -14.820 0.281 1.00 1.25 H new ATOM 0 HD3 LYS A 38 6.731 -13.981 1.611 1.00 1.25 H new ATOM 0 HE2 LYS A 38 8.183 -15.792 1.002 1.00 2.04 H new ATOM 0 HE3 LYS A 38 7.451 -16.231 2.533 1.00 2.04 H new ATOM 0 HZ1 LYS A 38 7.445 -18.076 0.997 1.00 3.56 H new ATOM 0 HZ2 LYS A 38 5.851 -17.603 1.342 1.00 3.56 H new ATOM 0 HZ3 LYS A 38 6.561 -17.177 -0.140 1.00 3.56 H new ATOM 600 N LYS A 39 2.285 -13.707 4.161 1.00 0.30 N ATOM 601 CA LYS A 39 2.260 -13.406 5.600 1.00 0.31 C ATOM 602 C LYS A 39 0.820 -13.563 6.126 1.00 0.30 C ATOM 603 O LYS A 39 -0.107 -13.834 5.363 1.00 0.37 O ATOM 604 CB LYS A 39 2.838 -11.991 5.845 1.00 0.35 C ATOM 605 CG LYS A 39 4.239 -11.765 5.234 1.00 1.14 C ATOM 606 CD LYS A 39 5.389 -12.387 6.036 1.00 0.61 C ATOM 607 CE LYS A 39 6.639 -12.494 5.152 1.00 2.03 C ATOM 608 NZ LYS A 39 7.859 -12.785 5.939 1.00 2.42 N ATOM 0 H LYS A 39 2.145 -12.873 3.591 1.00 0.30 H new ATOM 0 HA LYS A 39 2.887 -14.106 6.152 1.00 0.31 H new ATOM 0 HB2 LYS A 39 2.150 -11.253 5.432 1.00 0.35 H new ATOM 0 HB3 LYS A 39 2.889 -11.813 6.919 1.00 0.35 H new ATOM 0 HG2 LYS A 39 4.252 -12.176 4.225 1.00 1.14 H new ATOM 0 HG3 LYS A 39 4.414 -10.693 5.144 1.00 1.14 H new ATOM 0 HD2 LYS A 39 5.604 -11.778 6.914 1.00 0.61 H new ATOM 0 HD3 LYS A 39 5.101 -13.375 6.396 1.00 0.61 H new ATOM 0 HE2 LYS A 39 6.491 -13.279 4.411 1.00 2.03 H new ATOM 0 HE3 LYS A 39 6.776 -11.561 4.605 1.00 2.03 H new ATOM 0 HZ1 LYS A 39 8.426 -13.505 5.447 1.00 2.42 H new ATOM 0 HZ2 LYS A 39 8.420 -11.916 6.044 1.00 2.42 H new ATOM 0 HZ3 LYS A 39 7.590 -13.139 6.879 1.00 2.42 H new ATOM 622 N SER A 40 0.630 -13.459 7.444 1.00 0.31 N ATOM 623 CA SER A 40 -0.667 -13.751 8.074 1.00 0.31 C ATOM 624 C SER A 40 -1.728 -12.669 7.806 1.00 0.32 C ATOM 625 O SER A 40 -1.408 -11.496 7.618 1.00 0.34 O ATOM 626 CB SER A 40 -0.466 -13.943 9.582 1.00 0.38 C ATOM 627 OG SER A 40 -1.657 -14.422 10.172 1.00 1.58 O ATOM 0 H SER A 40 1.358 -13.174 8.100 1.00 0.31 H new ATOM 0 HA SER A 40 -1.049 -14.668 7.624 1.00 0.31 H new ATOM 0 HB2 SER A 40 0.347 -14.646 9.762 1.00 0.38 H new ATOM 0 HB3 SER A 40 -0.177 -12.998 10.042 1.00 0.38 H new ATOM 0 HG SER A 40 -1.519 -14.543 11.135 1.00 1.58 H new ATOM 633 N ALA A 41 -3.012 -13.032 7.902 1.00 0.43 N ATOM 634 CA ALA A 41 -4.120 -12.071 7.898 1.00 0.53 C ATOM 635 C ALA A 41 -3.995 -11.056 9.043 1.00 0.55 C ATOM 636 O ALA A 41 -4.236 -9.861 8.865 1.00 0.58 O ATOM 637 CB ALA A 41 -5.441 -12.828 8.040 1.00 0.70 C ATOM 0 H ALA A 41 -3.312 -14.003 7.985 1.00 0.43 H new ATOM 0 HA ALA A 41 -4.090 -11.523 6.956 1.00 0.53 H new ATOM 0 HB1 ALA A 41 -6.269 -12.119 8.038 1.00 0.70 H new ATOM 0 HB2 ALA A 41 -5.555 -13.521 7.206 1.00 0.70 H new ATOM 0 HB3 ALA A 41 -5.443 -13.384 8.977 1.00 0.70 H new ATOM 643 N ASP A 42 -3.586 -11.535 10.223 1.00 0.59 N ATOM 644 CA ASP A 42 -3.324 -10.668 11.363 1.00 0.66 C ATOM 645 C ASP A 42 -2.037 -9.837 11.179 1.00 0.58 C ATOM 646 O ASP A 42 -1.933 -8.748 11.737 1.00 0.65 O ATOM 647 CB ASP A 42 -3.288 -11.508 12.645 1.00 0.89 C ATOM 648 CG ASP A 42 -2.907 -10.645 13.845 1.00 1.63 C ATOM 649 OD1 ASP A 42 -3.633 -9.666 14.145 1.00 2.88 O ATOM 650 OD2 ASP A 42 -1.814 -10.875 14.409 1.00 2.79 O ATOM 0 H ASP A 42 -3.430 -12.526 10.408 1.00 0.59 H new ATOM 0 HA ASP A 42 -4.135 -9.944 11.442 1.00 0.66 H new ATOM 0 HB2 ASP A 42 -4.263 -11.964 12.814 1.00 0.89 H new ATOM 0 HB3 ASP A 42 -2.571 -12.321 12.533 1.00 0.89 H new ATOM 655 N ASP A 43 -1.090 -10.280 10.344 1.00 0.52 N ATOM 656 CA ASP A 43 0.033 -9.443 9.917 1.00 0.48 C ATOM 657 C ASP A 43 -0.483 -8.292 9.042 1.00 0.44 C ATOM 658 O ASP A 43 -0.173 -7.131 9.297 1.00 0.44 O ATOM 659 CB ASP A 43 1.088 -10.282 9.183 1.00 0.42 C ATOM 660 CG ASP A 43 2.417 -9.543 9.147 1.00 0.84 C ATOM 661 OD1 ASP A 43 3.185 -9.748 10.108 1.00 1.73 O ATOM 662 OD2 ASP A 43 2.627 -8.773 8.186 1.00 1.97 O ATOM 0 H ASP A 43 -1.081 -11.220 9.949 1.00 0.52 H new ATOM 0 HA ASP A 43 0.516 -9.015 10.796 1.00 0.48 H new ATOM 0 HB2 ASP A 43 1.211 -11.242 9.683 1.00 0.42 H new ATOM 0 HB3 ASP A 43 0.753 -10.492 8.167 1.00 0.42 H new ATOM 667 N VAL A 44 -1.368 -8.599 8.084 1.00 0.46 N ATOM 668 CA VAL A 44 -2.047 -7.645 7.195 1.00 0.46 C ATOM 669 C VAL A 44 -2.757 -6.494 7.940 1.00 0.44 C ATOM 670 O VAL A 44 -2.817 -5.374 7.427 1.00 0.49 O ATOM 671 CB VAL A 44 -2.935 -8.425 6.194 1.00 0.47 C ATOM 672 CG1 VAL A 44 -4.360 -7.898 6.020 1.00 0.90 C ATOM 673 CG2 VAL A 44 -2.248 -8.465 4.822 1.00 0.70 C ATOM 0 H VAL A 44 -1.643 -9.564 7.899 1.00 0.46 H new ATOM 0 HA VAL A 44 -1.295 -7.110 6.615 1.00 0.46 H new ATOM 0 HB VAL A 44 -3.043 -9.418 6.630 1.00 0.47 H new ATOM 0 HG11 VAL A 44 -4.891 -8.518 5.298 1.00 0.90 H new ATOM 0 HG12 VAL A 44 -4.879 -7.930 6.978 1.00 0.90 H new ATOM 0 HG13 VAL A 44 -4.326 -6.870 5.660 1.00 0.90 H new ATOM 0 HG21 VAL A 44 -2.873 -9.014 4.118 1.00 0.70 H new ATOM 0 HG22 VAL A 44 -2.100 -7.448 4.459 1.00 0.70 H new ATOM 0 HG23 VAL A 44 -1.282 -8.962 4.913 1.00 0.70 H new ATOM 683 N LYS A 45 -3.203 -6.707 9.186 1.00 0.41 N ATOM 684 CA LYS A 45 -3.630 -5.627 10.093 1.00 0.42 C ATOM 685 C LYS A 45 -2.499 -4.653 10.441 1.00 0.42 C ATOM 686 O LYS A 45 -2.675 -3.439 10.323 1.00 0.59 O ATOM 687 CB LYS A 45 -4.282 -6.222 11.349 1.00 0.52 C ATOM 688 CG LYS A 45 -5.742 -6.591 11.061 1.00 1.29 C ATOM 689 CD LYS A 45 -6.427 -7.157 12.311 1.00 1.66 C ATOM 690 CE LYS A 45 -7.931 -7.295 12.054 1.00 2.01 C ATOM 691 NZ LYS A 45 -8.643 -7.808 13.248 1.00 2.83 N ATOM 0 H LYS A 45 -3.279 -7.637 9.597 1.00 0.41 H new ATOM 0 HA LYS A 45 -4.373 -5.030 9.564 1.00 0.42 H new ATOM 0 HB2 LYS A 45 -3.732 -7.107 11.669 1.00 0.52 H new ATOM 0 HB3 LYS A 45 -4.235 -5.504 12.167 1.00 0.52 H new ATOM 0 HG2 LYS A 45 -6.281 -5.709 10.715 1.00 1.29 H new ATOM 0 HG3 LYS A 45 -5.783 -7.325 10.257 1.00 1.29 H new ATOM 0 HD2 LYS A 45 -6.000 -8.128 12.564 1.00 1.66 H new ATOM 0 HD3 LYS A 45 -6.252 -6.500 13.163 1.00 1.66 H new ATOM 0 HE2 LYS A 45 -8.343 -6.326 11.772 1.00 2.01 H new ATOM 0 HE3 LYS A 45 -8.097 -7.969 11.213 1.00 2.01 H new ATOM 0 HZ1 LYS A 45 -9.658 -7.889 13.039 1.00 2.83 H new ATOM 0 HZ2 LYS A 45 -8.266 -8.744 13.502 1.00 2.83 H new ATOM 0 HZ3 LYS A 45 -8.505 -7.152 14.043 1.00 2.83 H new ATOM 705 N LYS A 46 -1.335 -5.171 10.847 1.00 0.35 N ATOM 706 CA LYS A 46 -0.131 -4.390 11.161 1.00 0.42 C ATOM 707 C LYS A 46 0.476 -3.735 9.914 1.00 0.43 C ATOM 708 O LYS A 46 1.081 -2.672 10.057 1.00 0.55 O ATOM 709 CB LYS A 46 0.919 -5.272 11.868 1.00 0.50 C ATOM 710 CG LYS A 46 0.572 -5.622 13.327 1.00 0.86 C ATOM 711 CD LYS A 46 -0.349 -6.843 13.463 1.00 1.35 C ATOM 712 CE LYS A 46 -0.594 -7.184 14.935 1.00 1.64 C ATOM 713 NZ LYS A 46 -1.464 -8.372 15.103 1.00 2.19 N ATOM 0 H LYS A 46 -1.199 -6.174 10.970 1.00 0.35 H new ATOM 0 HA LYS A 46 -0.435 -3.589 11.835 1.00 0.42 H new ATOM 0 HB2 LYS A 46 1.040 -6.197 11.303 1.00 0.50 H new ATOM 0 HB3 LYS A 46 1.880 -4.759 11.848 1.00 0.50 H new ATOM 0 HG2 LYS A 46 1.495 -5.810 13.876 1.00 0.86 H new ATOM 0 HG3 LYS A 46 0.093 -4.762 13.794 1.00 0.86 H new ATOM 0 HD2 LYS A 46 -1.300 -6.643 12.969 1.00 1.35 H new ATOM 0 HD3 LYS A 46 0.098 -7.699 12.957 1.00 1.35 H new ATOM 0 HE2 LYS A 46 0.362 -7.365 15.427 1.00 1.64 H new ATOM 0 HE3 LYS A 46 -1.052 -6.329 15.432 1.00 1.64 H new ATOM 0 HZ1 LYS A 46 -1.572 -8.582 16.116 1.00 2.19 H new ATOM 0 HZ2 LYS A 46 -2.398 -8.180 14.687 1.00 2.19 H new ATOM 0 HZ3 LYS A 46 -1.033 -9.188 14.624 1.00 2.19 H new ATOM 727 N VAL A 47 0.283 -4.339 8.735 1.00 0.37 N ATOM 728 CA VAL A 47 0.605 -3.801 7.403 1.00 0.38 C ATOM 729 C VAL A 47 -0.155 -2.499 7.181 1.00 0.35 C ATOM 730 O VAL A 47 0.469 -1.446 7.261 1.00 0.41 O ATOM 731 CB VAL A 47 0.309 -4.840 6.301 1.00 0.51 C ATOM 732 CG1 VAL A 47 0.379 -4.339 4.844 1.00 0.72 C ATOM 733 CG2 VAL A 47 1.216 -6.061 6.485 1.00 0.61 C ATOM 0 H VAL A 47 -0.126 -5.272 8.680 1.00 0.37 H new ATOM 0 HA VAL A 47 1.672 -3.585 7.350 1.00 0.38 H new ATOM 0 HB VAL A 47 -0.742 -5.095 6.441 1.00 0.51 H new ATOM 0 HG11 VAL A 47 0.152 -5.161 4.165 1.00 0.72 H new ATOM 0 HG12 VAL A 47 -0.346 -3.538 4.699 1.00 0.72 H new ATOM 0 HG13 VAL A 47 1.381 -3.963 4.636 1.00 0.72 H new ATOM 0 HG21 VAL A 47 1.004 -6.792 5.705 1.00 0.61 H new ATOM 0 HG22 VAL A 47 2.259 -5.752 6.419 1.00 0.61 H new ATOM 0 HG23 VAL A 47 1.031 -6.508 7.462 1.00 0.61 H new ATOM 743 N PHE A 48 -1.480 -2.546 6.961 1.00 0.33 N ATOM 744 CA PHE A 48 -2.338 -1.381 6.768 1.00 0.32 C ATOM 745 C PHE A 48 -2.036 -0.213 7.726 1.00 0.29 C ATOM 746 O PHE A 48 -1.883 0.928 7.283 1.00 0.34 O ATOM 747 CB PHE A 48 -3.784 -1.865 6.893 1.00 0.42 C ATOM 748 CG PHE A 48 -4.763 -0.723 6.918 1.00 0.43 C ATOM 749 CD1 PHE A 48 -5.187 -0.152 5.708 1.00 1.79 C ATOM 750 CD2 PHE A 48 -5.154 -0.163 8.149 1.00 2.12 C ATOM 751 CE1 PHE A 48 -5.972 1.006 5.734 1.00 1.80 C ATOM 752 CE2 PHE A 48 -5.923 1.010 8.169 1.00 2.21 C ATOM 753 CZ PHE A 48 -6.320 1.597 6.957 1.00 0.84 C ATOM 0 H PHE A 48 -1.992 -3.427 6.912 1.00 0.33 H new ATOM 0 HA PHE A 48 -2.147 -0.960 5.781 1.00 0.32 H new ATOM 0 HB2 PHE A 48 -4.018 -2.525 6.058 1.00 0.42 H new ATOM 0 HB3 PHE A 48 -3.891 -2.454 7.804 1.00 0.42 H new ATOM 0 HD1 PHE A 48 -4.910 -0.602 4.766 1.00 1.79 H new ATOM 0 HD2 PHE A 48 -4.863 -0.635 9.076 1.00 2.12 H new ATOM 0 HE1 PHE A 48 -6.311 1.446 4.808 1.00 1.80 H new ATOM 0 HE2 PHE A 48 -6.208 1.458 9.110 1.00 2.21 H new ATOM 0 HZ PHE A 48 -6.897 2.510 6.967 1.00 0.84 H new ATOM 763 N HIS A 49 -1.895 -0.505 9.026 1.00 0.29 N ATOM 764 CA HIS A 49 -1.592 0.489 10.059 1.00 0.35 C ATOM 765 C HIS A 49 -0.302 1.291 9.803 1.00 0.38 C ATOM 766 O HIS A 49 -0.182 2.412 10.292 1.00 0.61 O ATOM 767 CB HIS A 49 -1.528 -0.213 11.431 1.00 0.44 C ATOM 768 CG HIS A 49 -2.492 0.306 12.471 1.00 1.08 C ATOM 769 ND1 HIS A 49 -2.267 0.313 13.831 1.00 1.81 N ATOM 770 CD2 HIS A 49 -3.771 0.753 12.263 1.00 2.44 C ATOM 771 CE1 HIS A 49 -3.389 0.752 14.428 1.00 2.37 C ATOM 772 NE2 HIS A 49 -4.323 1.042 13.513 1.00 2.85 N ATOM 0 H HIS A 49 -1.990 -1.452 9.393 1.00 0.29 H new ATOM 0 HA HIS A 49 -2.397 1.223 10.037 1.00 0.35 H new ATOM 0 HB2 HIS A 49 -1.716 -1.277 11.285 1.00 0.44 H new ATOM 0 HB3 HIS A 49 -0.514 -0.119 11.821 1.00 0.44 H new ATOM 0 HD2 HIS A 49 -4.262 0.862 11.307 1.00 2.44 H new ATOM 0 HE1 HIS A 49 -3.519 0.856 15.495 1.00 2.37 H new ATOM 0 HE2 HIS A 49 -5.259 1.405 13.694 1.00 2.85 H new ATOM 780 N MET A 50 0.660 0.752 9.044 1.00 0.31 N ATOM 781 CA MET A 50 1.889 1.461 8.687 1.00 0.41 C ATOM 782 C MET A 50 1.662 2.547 7.615 1.00 0.40 C ATOM 783 O MET A 50 2.378 3.545 7.598 1.00 0.53 O ATOM 784 CB MET A 50 2.922 0.428 8.215 1.00 0.50 C ATOM 785 CG MET A 50 4.354 0.967 8.199 1.00 0.78 C ATOM 786 SD MET A 50 5.125 1.401 9.785 1.00 1.11 S ATOM 787 CE MET A 50 4.902 3.202 9.792 1.00 1.77 C ATOM 0 H MET A 50 0.605 -0.191 8.660 1.00 0.31 H new ATOM 0 HA MET A 50 2.254 1.988 9.568 1.00 0.41 H new ATOM 0 HB2 MET A 50 2.877 -0.444 8.867 1.00 0.50 H new ATOM 0 HB3 MET A 50 2.657 0.091 7.213 1.00 0.50 H new ATOM 0 HG2 MET A 50 4.985 0.222 7.715 1.00 0.78 H new ATOM 0 HG3 MET A 50 4.368 1.855 7.568 1.00 0.78 H new ATOM 0 HE1 MET A 50 5.654 3.659 10.436 1.00 1.77 H new ATOM 0 HE2 MET A 50 5.011 3.586 8.778 1.00 1.77 H new ATOM 0 HE3 MET A 50 3.908 3.444 10.167 1.00 1.77 H new ATOM 797 N LEU A 51 0.668 2.361 6.734 1.00 0.36 N ATOM 798 CA LEU A 51 0.277 3.298 5.676 1.00 0.35 C ATOM 799 C LEU A 51 -0.696 4.365 6.198 1.00 0.37 C ATOM 800 O LEU A 51 -0.545 5.544 5.877 1.00 0.42 O ATOM 801 CB LEU A 51 -0.408 2.505 4.554 1.00 0.39 C ATOM 802 CG LEU A 51 0.405 1.428 3.805 1.00 0.69 C ATOM 803 CD1 LEU A 51 1.925 1.612 3.832 1.00 2.45 C ATOM 804 CD2 LEU A 51 0.066 0.019 4.273 1.00 1.76 C ATOM 0 H LEU A 51 0.093 1.519 6.741 1.00 0.36 H new ATOM 0 HA LEU A 51 1.171 3.804 5.312 1.00 0.35 H new ATOM 0 HB2 LEU A 51 -1.286 2.019 4.981 1.00 0.39 H new ATOM 0 HB3 LEU A 51 -0.768 3.221 3.815 1.00 0.39 H new ATOM 0 HG LEU A 51 0.094 1.565 2.769 1.00 0.69 H new ATOM 0 HD11 LEU A 51 2.399 0.802 3.277 1.00 2.45 H new ATOM 0 HD12 LEU A 51 2.184 2.566 3.374 1.00 2.45 H new ATOM 0 HD13 LEU A 51 2.275 1.598 4.864 1.00 2.45 H new ATOM 0 HD21 LEU A 51 0.664 -0.703 3.716 1.00 1.76 H new ATOM 0 HD22 LEU A 51 0.284 -0.073 5.337 1.00 1.76 H new ATOM 0 HD23 LEU A 51 -0.992 -0.177 4.101 1.00 1.76 H new ATOM 816 N ASP A 52 -1.687 3.955 7.001 1.00 0.41 N ATOM 817 CA ASP A 52 -2.627 4.842 7.692 1.00 0.48 C ATOM 818 C ASP A 52 -1.907 5.612 8.811 1.00 0.57 C ATOM 819 O ASP A 52 -2.046 5.298 9.998 1.00 0.90 O ATOM 820 CB ASP A 52 -3.812 4.005 8.208 1.00 0.64 C ATOM 821 CG ASP A 52 -4.893 4.839 8.904 1.00 0.74 C ATOM 822 OD1 ASP A 52 -5.333 5.861 8.329 1.00 1.35 O ATOM 823 OD2 ASP A 52 -5.319 4.443 10.009 1.00 1.85 O ATOM 0 H ASP A 52 -1.860 2.968 7.192 1.00 0.41 H new ATOM 0 HA ASP A 52 -3.021 5.593 7.007 1.00 0.48 H new ATOM 0 HB2 ASP A 52 -4.260 3.470 7.371 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -3.440 3.253 8.904 1.00 0.64 H new ATOM 828 N LYS A 53 -1.103 6.618 8.442 1.00 0.52 N ATOM 829 CA LYS A 53 -0.379 7.486 9.375 1.00 0.72 C ATOM 830 C LYS A 53 -1.293 8.094 10.437 1.00 1.06 C ATOM 831 O LYS A 53 -0.929 8.048 11.610 1.00 2.01 O ATOM 832 CB LYS A 53 0.353 8.598 8.622 1.00 0.91 C ATOM 833 CG LYS A 53 1.418 8.060 7.651 1.00 1.01 C ATOM 834 CD LYS A 53 2.630 8.995 7.623 1.00 1.44 C ATOM 835 CE LYS A 53 2.249 10.402 7.140 1.00 2.73 C ATOM 836 NZ LYS A 53 3.266 11.403 7.536 1.00 3.79 N ATOM 0 H LYS A 53 -0.935 6.855 7.464 1.00 0.52 H new ATOM 0 HA LYS A 53 0.347 6.856 9.888 1.00 0.72 H new ATOM 0 HB2 LYS A 53 -0.372 9.192 8.066 1.00 0.91 H new ATOM 0 HB3 LYS A 53 0.828 9.266 9.341 1.00 0.91 H new ATOM 0 HG2 LYS A 53 1.728 7.061 7.957 1.00 1.01 H new ATOM 0 HG3 LYS A 53 0.996 7.970 6.650 1.00 1.01 H new ATOM 0 HD2 LYS A 53 3.065 9.058 8.621 1.00 1.44 H new ATOM 0 HD3 LYS A 53 3.395 8.580 6.967 1.00 1.44 H new ATOM 0 HE2 LYS A 53 2.142 10.399 6.055 1.00 2.73 H new ATOM 0 HE3 LYS A 53 1.281 10.681 7.555 1.00 2.73 H new ATOM 0 HZ1 LYS A 53 2.979 12.343 7.195 1.00 3.79 H new ATOM 0 HZ2 LYS A 53 3.350 11.422 8.572 1.00 3.79 H new ATOM 0 HZ3 LYS A 53 4.184 11.149 7.119 1.00 3.79 H new ATOM 850 N ASP A 54 -2.479 8.567 10.035 1.00 0.74 N ATOM 851 CA ASP A 54 -3.518 9.143 10.899 1.00 0.95 C ATOM 852 C ASP A 54 -3.930 8.231 12.060 1.00 0.89 C ATOM 853 O ASP A 54 -4.436 8.724 13.066 1.00 1.12 O ATOM 854 CB ASP A 54 -4.814 9.375 10.102 1.00 1.39 C ATOM 855 CG ASP A 54 -4.755 10.418 8.994 1.00 1.46 C ATOM 856 OD1 ASP A 54 -4.039 11.426 9.152 1.00 2.92 O ATOM 857 OD2 ASP A 54 -5.500 10.180 8.009 1.00 2.28 O ATOM 0 H ASP A 54 -2.754 8.558 9.053 1.00 0.74 H new ATOM 0 HA ASP A 54 -3.075 10.062 11.282 1.00 0.95 H new ATOM 0 HB2 ASP A 54 -5.117 8.426 9.661 1.00 1.39 H new ATOM 0 HB3 ASP A 54 -5.597 9.666 10.802 1.00 1.39 H new ATOM 862 N LYS A 55 -3.801 6.906 11.882 1.00 0.80 N ATOM 863 CA LYS A 55 -4.506 5.889 12.678 1.00 0.94 C ATOM 864 C LYS A 55 -6.027 6.117 12.729 1.00 0.92 C ATOM 865 O LYS A 55 -6.683 5.743 13.698 1.00 1.40 O ATOM 866 CB LYS A 55 -3.838 5.718 14.061 1.00 1.19 C ATOM 867 CG LYS A 55 -2.339 5.385 13.972 1.00 1.38 C ATOM 868 CD LYS A 55 -2.091 4.022 13.307 1.00 1.89 C ATOM 869 CE LYS A 55 -0.630 3.795 12.940 1.00 1.99 C ATOM 870 NZ LYS A 55 -0.185 4.749 11.897 1.00 3.21 N ATOM 0 H LYS A 55 -3.193 6.505 11.168 1.00 0.80 H new ATOM 0 HA LYS A 55 -4.405 4.931 12.169 1.00 0.94 H new ATOM 0 HB2 LYS A 55 -3.966 6.635 14.635 1.00 1.19 H new ATOM 0 HB3 LYS A 55 -4.348 4.925 14.608 1.00 1.19 H new ATOM 0 HG2 LYS A 55 -1.828 6.163 13.405 1.00 1.38 H new ATOM 0 HG3 LYS A 55 -1.908 5.384 14.973 1.00 1.38 H new ATOM 0 HD2 LYS A 55 -2.418 3.230 13.981 1.00 1.89 H new ATOM 0 HD3 LYS A 55 -2.702 3.947 12.407 1.00 1.89 H new ATOM 0 HE2 LYS A 55 -0.008 3.907 13.828 1.00 1.99 H new ATOM 0 HE3 LYS A 55 -0.496 2.774 12.583 1.00 1.99 H new ATOM 0 HZ1 LYS A 55 0.358 4.240 11.170 1.00 3.21 H new ATOM 0 HZ2 LYS A 55 -1.015 5.196 11.459 1.00 3.21 H new ATOM 0 HZ3 LYS A 55 0.415 5.481 12.329 1.00 3.21 H new ATOM 884 N SER A 56 -6.594 6.708 11.667 1.00 0.52 N ATOM 885 CA SER A 56 -8.039 6.881 11.497 1.00 0.57 C ATOM 886 C SER A 56 -8.745 5.625 10.973 1.00 0.63 C ATOM 887 O SER A 56 -9.972 5.570 11.008 1.00 0.84 O ATOM 888 CB SER A 56 -8.355 8.095 10.610 1.00 0.67 C ATOM 889 OG SER A 56 -7.944 7.969 9.253 1.00 0.82 O ATOM 0 H SER A 56 -6.050 7.084 10.891 1.00 0.52 H new ATOM 0 HA SER A 56 -8.437 7.064 12.495 1.00 0.57 H new ATOM 0 HB2 SER A 56 -9.430 8.274 10.634 1.00 0.67 H new ATOM 0 HB3 SER A 56 -7.876 8.975 11.039 1.00 0.67 H new ATOM 0 HG SER A 56 -8.184 8.782 8.762 1.00 0.82 H new ATOM 895 N GLY A 57 -7.995 4.614 10.516 1.00 0.55 N ATOM 896 CA GLY A 57 -8.490 3.316 10.068 1.00 0.57 C ATOM 897 C GLY A 57 -8.843 3.254 8.576 1.00 0.42 C ATOM 898 O GLY A 57 -9.352 2.233 8.118 1.00 0.41 O ATOM 0 H GLY A 57 -6.980 4.687 10.447 1.00 0.55 H new ATOM 0 HA2 GLY A 57 -7.735 2.559 10.282 1.00 0.57 H new ATOM 0 HA3 GLY A 57 -9.375 3.058 10.650 1.00 0.57 H new ATOM 902 N PHE A 58 -8.567 4.318 7.808 1.00 0.40 N ATOM 903 CA PHE A 58 -8.897 4.445 6.382 1.00 0.36 C ATOM 904 C PHE A 58 -7.823 5.276 5.671 1.00 0.39 C ATOM 905 O PHE A 58 -7.521 6.373 6.142 1.00 0.65 O ATOM 906 CB PHE A 58 -10.256 5.153 6.234 1.00 0.48 C ATOM 907 CG PHE A 58 -11.381 4.692 7.141 1.00 0.48 C ATOM 908 CD1 PHE A 58 -12.205 3.613 6.770 1.00 2.04 C ATOM 909 CD2 PHE A 58 -11.609 5.356 8.361 1.00 1.75 C ATOM 910 CE1 PHE A 58 -13.246 3.197 7.621 1.00 2.06 C ATOM 911 CE2 PHE A 58 -12.641 4.933 9.216 1.00 1.92 C ATOM 912 CZ PHE A 58 -13.462 3.854 8.845 1.00 0.96 C ATOM 0 H PHE A 58 -8.091 5.142 8.176 1.00 0.40 H new ATOM 0 HA PHE A 58 -8.943 3.451 5.936 1.00 0.36 H new ATOM 0 HB2 PHE A 58 -10.102 6.219 6.403 1.00 0.48 H new ATOM 0 HB3 PHE A 58 -10.586 5.038 5.202 1.00 0.48 H new ATOM 0 HD1 PHE A 58 -12.038 3.104 5.832 1.00 2.04 H new ATOM 0 HD2 PHE A 58 -10.988 6.194 8.641 1.00 1.75 H new ATOM 0 HE1 PHE A 58 -13.880 2.371 7.333 1.00 2.06 H new ATOM 0 HE2 PHE A 58 -12.803 5.437 10.158 1.00 1.92 H new ATOM 0 HZ PHE A 58 -14.258 3.530 9.499 1.00 0.96 H new ATOM 922 N ILE A 59 -7.266 4.810 4.544 1.00 0.26 N ATOM 923 CA ILE A 59 -6.279 5.592 3.768 1.00 0.26 C ATOM 924 C ILE A 59 -6.974 6.287 2.592 1.00 0.39 C ATOM 925 O ILE A 59 -7.726 5.658 1.845 1.00 0.49 O ATOM 926 CB ILE A 59 -5.112 4.727 3.255 1.00 0.36 C ATOM 927 CG1 ILE A 59 -4.428 3.901 4.361 1.00 0.63 C ATOM 928 CG2 ILE A 59 -4.040 5.589 2.562 1.00 0.72 C ATOM 929 CD1 ILE A 59 -3.807 2.633 3.772 1.00 0.86 C ATOM 0 H ILE A 59 -7.479 3.896 4.145 1.00 0.26 H new ATOM 0 HA ILE A 59 -5.854 6.337 4.441 1.00 0.26 H new ATOM 0 HB ILE A 59 -5.564 4.035 2.544 1.00 0.36 H new ATOM 0 HG12 ILE A 59 -3.657 4.499 4.847 1.00 0.63 H new ATOM 0 HG13 ILE A 59 -5.156 3.635 5.128 1.00 0.63 H new ATOM 0 HG21 ILE A 59 -3.230 4.950 2.211 1.00 0.72 H new ATOM 0 HG22 ILE A 59 -4.484 6.110 1.714 1.00 0.72 H new ATOM 0 HG23 ILE A 59 -3.646 6.318 3.270 1.00 0.72 H new ATOM 0 HD11 ILE A 59 -3.328 2.060 4.566 1.00 0.86 H new ATOM 0 HD12 ILE A 59 -4.586 2.028 3.308 1.00 0.86 H new ATOM 0 HD13 ILE A 59 -3.064 2.906 3.022 1.00 0.86 H new ATOM 941 N GLU A 60 -6.681 7.578 2.433 1.00 0.48 N ATOM 942 CA GLU A 60 -7.219 8.513 1.442 1.00 0.64 C ATOM 943 C GLU A 60 -6.104 9.389 0.833 1.00 0.47 C ATOM 944 O GLU A 60 -4.957 9.336 1.284 1.00 0.35 O ATOM 945 CB GLU A 60 -8.352 9.358 2.066 1.00 0.96 C ATOM 946 CG GLU A 60 -7.978 10.268 3.253 1.00 1.38 C ATOM 947 CD GLU A 60 -7.706 9.505 4.558 1.00 1.38 C ATOM 948 OE1 GLU A 60 -6.541 9.117 4.810 1.00 3.36 O ATOM 949 OE2 GLU A 60 -8.631 9.277 5.368 1.00 1.32 O ATOM 0 H GLU A 60 -6.005 8.035 3.045 1.00 0.48 H new ATOM 0 HA GLU A 60 -7.647 7.941 0.619 1.00 0.64 H new ATOM 0 HB2 GLU A 60 -8.779 9.983 1.282 1.00 0.96 H new ATOM 0 HB3 GLU A 60 -9.138 8.679 2.395 1.00 0.96 H new ATOM 0 HG2 GLU A 60 -7.092 10.847 2.990 1.00 1.38 H new ATOM 0 HG3 GLU A 60 -8.786 10.980 3.421 1.00 1.38 H new ATOM 956 N GLU A 61 -6.436 10.182 -0.201 1.00 0.58 N ATOM 957 CA GLU A 61 -5.478 10.818 -1.132 1.00 0.61 C ATOM 958 C GLU A 61 -4.320 11.589 -0.472 1.00 0.54 C ATOM 959 O GLU A 61 -3.205 11.564 -0.992 1.00 0.54 O ATOM 960 CB GLU A 61 -6.201 11.702 -2.165 1.00 0.75 C ATOM 961 CG GLU A 61 -7.192 10.903 -3.031 1.00 2.74 C ATOM 962 CD GLU A 61 -7.178 11.345 -4.502 1.00 3.61 C ATOM 963 OE1 GLU A 61 -6.316 10.811 -5.244 1.00 4.95 O ATOM 964 OE2 GLU A 61 -8.013 12.197 -4.880 1.00 3.46 O ATOM 0 H GLU A 61 -7.406 10.407 -0.421 1.00 0.58 H new ATOM 0 HA GLU A 61 -5.002 9.977 -1.637 1.00 0.61 H new ATOM 0 HB2 GLU A 61 -6.736 12.498 -1.647 1.00 0.75 H new ATOM 0 HB3 GLU A 61 -5.463 12.180 -2.809 1.00 0.75 H new ATOM 0 HG2 GLU A 61 -6.948 9.842 -2.972 1.00 2.74 H new ATOM 0 HG3 GLU A 61 -8.198 11.022 -2.629 1.00 2.74 H new ATOM 971 N ASP A 62 -4.554 12.219 0.686 1.00 0.53 N ATOM 972 CA ASP A 62 -3.536 12.939 1.460 1.00 0.58 C ATOM 973 C ASP A 62 -2.348 12.039 1.851 1.00 0.50 C ATOM 974 O ASP A 62 -1.199 12.375 1.574 1.00 0.61 O ATOM 975 CB ASP A 62 -4.199 13.564 2.695 1.00 0.72 C ATOM 976 CG ASP A 62 -3.251 14.532 3.409 1.00 1.66 C ATOM 977 OD1 ASP A 62 -2.501 14.060 4.291 1.00 2.79 O ATOM 978 OD2 ASP A 62 -3.290 15.730 3.053 1.00 2.53 O ATOM 0 H ASP A 62 -5.477 12.243 1.120 1.00 0.53 H new ATOM 0 HA ASP A 62 -3.118 13.727 0.833 1.00 0.58 H new ATOM 0 HB2 ASP A 62 -5.104 14.093 2.395 1.00 0.72 H new ATOM 0 HB3 ASP A 62 -4.504 12.776 3.384 1.00 0.72 H new ATOM 983 N GLU A 63 -2.619 10.867 2.439 1.00 0.42 N ATOM 984 CA GLU A 63 -1.609 9.848 2.752 1.00 0.41 C ATOM 985 C GLU A 63 -1.177 9.127 1.476 1.00 0.39 C ATOM 986 O GLU A 63 0.008 8.876 1.253 1.00 0.44 O ATOM 987 CB GLU A 63 -2.206 8.821 3.722 1.00 0.51 C ATOM 988 CG GLU A 63 -2.308 9.372 5.148 1.00 0.60 C ATOM 989 CD GLU A 63 -3.055 8.425 6.090 1.00 1.00 C ATOM 990 OE1 GLU A 63 -3.964 7.686 5.643 1.00 1.34 O ATOM 991 OE2 GLU A 63 -2.824 8.496 7.312 1.00 2.40 O ATOM 0 H GLU A 63 -3.563 10.596 2.715 1.00 0.42 H new ATOM 0 HA GLU A 63 -0.745 10.335 3.204 1.00 0.41 H new ATOM 0 HB2 GLU A 63 -3.197 8.527 3.375 1.00 0.51 H new ATOM 0 HB3 GLU A 63 -1.589 7.922 3.724 1.00 0.51 H new ATOM 0 HG2 GLU A 63 -1.306 9.551 5.537 1.00 0.60 H new ATOM 0 HG3 GLU A 63 -2.818 10.335 5.126 1.00 0.60 H new ATOM 998 N LEU A 64 -2.159 8.782 0.638 1.00 0.39 N ATOM 999 CA LEU A 64 -2.014 7.943 -0.536 1.00 0.48 C ATOM 1000 C LEU A 64 -1.151 8.561 -1.653 1.00 0.39 C ATOM 1001 O LEU A 64 -0.703 7.832 -2.530 1.00 0.57 O ATOM 1002 CB LEU A 64 -3.428 7.607 -1.009 1.00 0.78 C ATOM 1003 CG LEU A 64 -3.479 6.352 -1.881 1.00 0.87 C ATOM 1004 CD1 LEU A 64 -4.277 5.228 -1.216 1.00 1.41 C ATOM 1005 CD2 LEU A 64 -4.133 6.709 -3.207 1.00 1.05 C ATOM 0 H LEU A 64 -3.119 9.100 0.774 1.00 0.39 H new ATOM 0 HA LEU A 64 -1.462 7.042 -0.269 1.00 0.48 H new ATOM 0 HB2 LEU A 64 -4.073 7.467 -0.141 1.00 0.78 H new ATOM 0 HB3 LEU A 64 -3.828 8.451 -1.571 1.00 0.78 H new ATOM 0 HG LEU A 64 -2.460 5.995 -2.029 1.00 0.87 H new ATOM 0 HD11 LEU A 64 -4.289 4.355 -1.868 1.00 1.41 H new ATOM 0 HD12 LEU A 64 -3.812 4.965 -0.266 1.00 1.41 H new ATOM 0 HD13 LEU A 64 -5.299 5.563 -1.039 1.00 1.41 H new ATOM 0 HD21 LEU A 64 -4.177 5.823 -3.841 1.00 1.05 H new ATOM 0 HD22 LEU A 64 -5.143 7.077 -3.027 1.00 1.05 H new ATOM 0 HD23 LEU A 64 -3.548 7.483 -3.704 1.00 1.05 H new ATOM 1017 N GLY A 65 -0.833 9.859 -1.597 1.00 0.34 N ATOM 1018 CA GLY A 65 0.212 10.462 -2.429 1.00 0.43 C ATOM 1019 C GLY A 65 1.647 10.042 -2.057 1.00 0.36 C ATOM 1020 O GLY A 65 2.552 10.216 -2.871 1.00 0.45 O ATOM 0 H GLY A 65 -1.294 10.521 -0.973 1.00 0.34 H new ATOM 0 HA2 GLY A 65 0.028 10.197 -3.470 1.00 0.43 H new ATOM 0 HA3 GLY A 65 0.135 11.547 -2.358 1.00 0.43 H new ATOM 1024 N PHE A 66 1.888 9.497 -0.853 1.00 0.35 N ATOM 1025 CA PHE A 66 3.234 9.129 -0.378 1.00 0.43 C ATOM 1026 C PHE A 66 3.248 7.915 0.578 1.00 0.47 C ATOM 1027 O PHE A 66 4.178 7.737 1.367 1.00 0.61 O ATOM 1028 CB PHE A 66 3.929 10.371 0.206 1.00 0.49 C ATOM 1029 CG PHE A 66 3.361 10.919 1.504 1.00 0.40 C ATOM 1030 CD1 PHE A 66 2.240 11.772 1.499 1.00 1.61 C ATOM 1031 CD2 PHE A 66 3.996 10.621 2.722 1.00 1.39 C ATOM 1032 CE1 PHE A 66 1.776 12.332 2.702 1.00 1.64 C ATOM 1033 CE2 PHE A 66 3.535 11.182 3.924 1.00 1.54 C ATOM 1034 CZ PHE A 66 2.423 12.043 3.914 1.00 0.82 C ATOM 0 H PHE A 66 1.150 9.298 -0.177 1.00 0.35 H new ATOM 0 HA PHE A 66 3.809 8.784 -1.237 1.00 0.43 H new ATOM 0 HB2 PHE A 66 4.979 10.129 0.369 1.00 0.49 H new ATOM 0 HB3 PHE A 66 3.896 11.163 -0.542 1.00 0.49 H new ATOM 0 HD1 PHE A 66 1.737 11.996 0.570 1.00 1.61 H new ATOM 0 HD2 PHE A 66 4.846 9.955 2.734 1.00 1.39 H new ATOM 0 HE1 PHE A 66 0.918 12.988 2.694 1.00 1.64 H new ATOM 0 HE2 PHE A 66 4.033 10.953 4.854 1.00 1.54 H new ATOM 0 HZ PHE A 66 2.068 12.480 4.835 1.00 0.82 H new ATOM 1044 N ILE A 67 2.238 7.045 0.457 1.00 0.45 N ATOM 1045 CA ILE A 67 1.969 5.799 1.193 1.00 0.46 C ATOM 1046 C ILE A 67 3.226 4.939 1.358 1.00 0.50 C ATOM 1047 O ILE A 67 3.469 4.397 2.437 1.00 0.53 O ATOM 1048 CB ILE A 67 0.751 5.120 0.509 1.00 0.53 C ATOM 1049 CG1 ILE A 67 0.393 3.721 1.009 1.00 0.97 C ATOM 1050 CG2 ILE A 67 0.791 5.094 -1.023 1.00 1.14 C ATOM 1051 CD1 ILE A 67 1.260 2.574 0.482 1.00 0.61 C ATOM 0 H ILE A 67 1.508 7.214 -0.235 1.00 0.45 H new ATOM 0 HA ILE A 67 1.696 5.989 2.231 1.00 0.46 H new ATOM 0 HB ILE A 67 -0.039 5.800 0.827 1.00 0.53 H new ATOM 0 HG12 ILE A 67 0.449 3.721 2.098 1.00 0.97 H new ATOM 0 HG13 ILE A 67 -0.644 3.517 0.743 1.00 0.97 H new ATOM 0 HG21 ILE A 67 -0.103 4.599 -1.402 1.00 1.14 H new ATOM 0 HG22 ILE A 67 0.830 6.115 -1.403 1.00 1.14 H new ATOM 0 HG23 ILE A 67 1.675 4.549 -1.355 1.00 1.14 H new ATOM 0 HD11 ILE A 67 0.912 1.631 0.905 1.00 0.61 H new ATOM 0 HD12 ILE A 67 1.188 2.533 -0.605 1.00 0.61 H new ATOM 0 HD13 ILE A 67 2.298 2.740 0.770 1.00 0.61 H new ATOM 1063 N LEU A 68 4.088 4.903 0.339 1.00 0.55 N ATOM 1064 CA LEU A 68 5.387 4.240 0.375 1.00 0.66 C ATOM 1065 C LEU A 68 6.264 4.604 1.580 1.00 0.58 C ATOM 1066 O LEU A 68 7.028 3.740 2.005 1.00 0.58 O ATOM 1067 CB LEU A 68 6.128 4.532 -0.934 1.00 0.83 C ATOM 1068 CG LEU A 68 5.714 3.602 -2.075 1.00 0.96 C ATOM 1069 CD1 LEU A 68 5.972 4.288 -3.413 1.00 1.13 C ATOM 1070 CD2 LEU A 68 6.576 2.332 -1.983 1.00 2.00 C ATOM 0 H LEU A 68 3.893 5.348 -0.558 1.00 0.55 H new ATOM 0 HA LEU A 68 5.188 3.174 0.488 1.00 0.66 H new ATOM 0 HB2 LEU A 68 5.941 5.565 -1.228 1.00 0.83 H new ATOM 0 HB3 LEU A 68 7.201 4.437 -0.767 1.00 0.83 H new ATOM 0 HG LEU A 68 4.655 3.356 -2.000 1.00 0.96 H new ATOM 0 HD11 LEU A 68 5.676 3.624 -4.225 1.00 1.13 H new ATOM 0 HD12 LEU A 68 5.391 5.209 -3.468 1.00 1.13 H new ATOM 0 HD13 LEU A 68 7.033 4.522 -3.503 1.00 1.13 H new ATOM 0 HD21 LEU A 68 6.303 1.648 -2.786 1.00 2.00 H new ATOM 0 HD22 LEU A 68 7.629 2.599 -2.076 1.00 2.00 H new ATOM 0 HD23 LEU A 68 6.409 1.848 -1.021 1.00 2.00 H new ATOM 1082 N LYS A 69 6.146 5.806 2.176 1.00 0.56 N ATOM 1083 CA LYS A 69 6.915 6.159 3.383 1.00 0.56 C ATOM 1084 C LYS A 69 6.615 5.253 4.580 1.00 0.57 C ATOM 1085 O LYS A 69 7.450 5.168 5.477 1.00 0.76 O ATOM 1086 CB LYS A 69 6.741 7.641 3.772 1.00 0.72 C ATOM 1087 CG LYS A 69 7.950 8.480 3.330 1.00 0.63 C ATOM 1088 CD LYS A 69 7.960 9.872 3.977 1.00 1.53 C ATOM 1089 CE LYS A 69 9.307 10.554 3.703 1.00 1.71 C ATOM 1090 NZ LYS A 69 9.403 11.876 4.368 1.00 2.78 N ATOM 0 H LYS A 69 5.528 6.546 1.842 1.00 0.56 H new ATOM 0 HA LYS A 69 7.958 5.996 3.113 1.00 0.56 H new ATOM 0 HB2 LYS A 69 5.835 8.036 3.313 1.00 0.72 H new ATOM 0 HB3 LYS A 69 6.614 7.723 4.851 1.00 0.72 H new ATOM 0 HG2 LYS A 69 8.869 7.954 3.590 1.00 0.63 H new ATOM 0 HG3 LYS A 69 7.939 8.586 2.245 1.00 0.63 H new ATOM 0 HD2 LYS A 69 7.146 10.477 3.577 1.00 1.53 H new ATOM 0 HD3 LYS A 69 7.795 9.787 5.051 1.00 1.53 H new ATOM 0 HE2 LYS A 69 10.116 9.913 4.052 1.00 1.71 H new ATOM 0 HE3 LYS A 69 9.439 10.678 2.628 1.00 1.71 H new ATOM 0 HZ1 LYS A 69 10.327 12.304 4.158 1.00 2.78 H new ATOM 0 HZ2 LYS A 69 8.646 12.497 4.017 1.00 2.78 H new ATOM 0 HZ3 LYS A 69 9.303 11.756 5.396 1.00 2.78 H new ATOM 1104 N GLY A 70 5.473 4.555 4.584 1.00 0.48 N ATOM 1105 CA GLY A 70 5.212 3.494 5.551 1.00 0.51 C ATOM 1106 C GLY A 70 5.877 2.176 5.175 1.00 0.56 C ATOM 1107 O GLY A 70 6.354 1.461 6.052 1.00 0.78 O ATOM 0 H GLY A 70 4.713 4.711 3.922 1.00 0.48 H new ATOM 0 HA2 GLY A 70 5.567 3.808 6.533 1.00 0.51 H new ATOM 0 HA3 GLY A 70 4.136 3.342 5.635 1.00 0.51 H new ATOM 1111 N PHE A 71 5.959 1.857 3.881 1.00 0.52 N ATOM 1112 CA PHE A 71 6.712 0.692 3.441 1.00 0.59 C ATOM 1113 C PHE A 71 8.215 0.841 3.714 1.00 0.58 C ATOM 1114 O PHE A 71 8.813 -0.143 4.157 1.00 0.68 O ATOM 1115 CB PHE A 71 6.391 0.333 1.984 1.00 0.62 C ATOM 1116 CG PHE A 71 4.969 -0.163 1.746 1.00 0.70 C ATOM 1117 CD1 PHE A 71 4.434 -1.214 2.521 1.00 1.34 C ATOM 1118 CD2 PHE A 71 4.203 0.355 0.684 1.00 1.88 C ATOM 1119 CE1 PHE A 71 3.149 -1.722 2.255 1.00 1.35 C ATOM 1120 CE2 PHE A 71 2.928 -0.167 0.406 1.00 1.99 C ATOM 1121 CZ PHE A 71 2.393 -1.197 1.194 1.00 0.99 C ATOM 0 H PHE A 71 5.516 2.387 3.130 1.00 0.52 H new ATOM 0 HA PHE A 71 6.388 -0.158 4.042 1.00 0.59 H new ATOM 0 HB2 PHE A 71 6.563 1.211 1.362 1.00 0.62 H new ATOM 0 HB3 PHE A 71 7.089 -0.435 1.652 1.00 0.62 H new ATOM 0 HD1 PHE A 71 5.017 -1.633 3.327 1.00 1.34 H new ATOM 0 HD2 PHE A 71 4.598 1.158 0.079 1.00 1.88 H new ATOM 0 HE1 PHE A 71 2.744 -2.515 2.866 1.00 1.35 H new ATOM 0 HE2 PHE A 71 2.356 0.228 -0.421 1.00 1.99 H new ATOM 0 HZ PHE A 71 1.406 -1.584 0.986 1.00 0.99 H new ATOM 1131 N SER A 72 8.823 2.026 3.506 1.00 0.50 N ATOM 1132 CA SER A 72 10.226 2.334 3.842 1.00 0.48 C ATOM 1133 C SER A 72 10.640 3.753 3.416 1.00 0.52 C ATOM 1134 O SER A 72 9.879 4.434 2.727 1.00 0.59 O ATOM 1135 CB SER A 72 11.136 1.312 3.150 1.00 0.59 C ATOM 1136 OG SER A 72 11.309 0.213 4.011 1.00 0.76 O ATOM 0 H SER A 72 8.336 2.818 3.087 1.00 0.50 H new ATOM 0 HA SER A 72 10.326 2.281 4.926 1.00 0.48 H new ATOM 0 HB2 SER A 72 10.694 0.989 2.207 1.00 0.59 H new ATOM 0 HB3 SER A 72 12.100 1.763 2.913 1.00 0.59 H new ATOM 0 HG SER A 72 10.459 0.006 4.452 1.00 0.76 H new ATOM 1142 N PRO A 73 11.858 4.216 3.770 1.00 0.54 N ATOM 1143 CA PRO A 73 12.449 5.405 3.158 1.00 0.61 C ATOM 1144 C PRO A 73 12.716 5.209 1.652 1.00 0.65 C ATOM 1145 O PRO A 73 12.641 4.104 1.120 1.00 0.67 O ATOM 1146 CB PRO A 73 13.735 5.671 3.952 1.00 0.60 C ATOM 1147 CG PRO A 73 14.134 4.285 4.454 1.00 0.55 C ATOM 1148 CD PRO A 73 12.784 3.632 4.737 1.00 0.56 C ATOM 0 HA PRO A 73 11.773 6.259 3.203 1.00 0.61 H new ATOM 0 HB2 PRO A 73 14.511 6.110 3.325 1.00 0.60 H new ATOM 0 HB3 PRO A 73 13.562 6.363 4.777 1.00 0.60 H new ATOM 0 HG2 PRO A 73 14.703 3.732 3.707 1.00 0.55 H new ATOM 0 HG3 PRO A 73 14.753 4.341 5.349 1.00 0.55 H new ATOM 0 HD2 PRO A 73 12.840 2.549 4.623 1.00 0.56 H new ATOM 0 HD3 PRO A 73 12.460 3.828 5.759 1.00 0.56 H new ATOM 1156 N ASP A 74 13.006 6.322 0.967 1.00 0.70 N ATOM 1157 CA ASP A 74 13.238 6.454 -0.488 1.00 0.79 C ATOM 1158 C ASP A 74 11.952 6.301 -1.335 1.00 0.76 C ATOM 1159 O ASP A 74 11.976 6.356 -2.557 1.00 0.89 O ATOM 1160 CB ASP A 74 14.412 5.566 -0.950 1.00 0.95 C ATOM 1161 CG ASP A 74 15.071 6.130 -2.210 1.00 1.55 C ATOM 1162 OD1 ASP A 74 15.637 7.243 -2.133 1.00 2.43 O ATOM 1163 OD2 ASP A 74 14.946 5.523 -3.295 1.00 2.50 O ATOM 0 H ASP A 74 13.092 7.220 1.442 1.00 0.70 H new ATOM 0 HA ASP A 74 13.544 7.484 -0.672 1.00 0.79 H new ATOM 0 HB2 ASP A 74 15.151 5.492 -0.152 1.00 0.95 H new ATOM 0 HB3 ASP A 74 14.052 4.556 -1.146 1.00 0.95 H new ATOM 1168 N ALA A 75 10.812 6.198 -0.652 1.00 0.71 N ATOM 1169 CA ALA A 75 9.430 6.128 -1.108 1.00 0.70 C ATOM 1170 C ALA A 75 9.018 7.053 -2.271 1.00 0.82 C ATOM 1171 O ALA A 75 8.573 6.567 -3.307 1.00 1.76 O ATOM 1172 CB ALA A 75 8.620 6.439 0.150 1.00 0.74 C ATOM 0 H ALA A 75 10.845 6.157 0.367 1.00 0.71 H new ATOM 0 HA ALA A 75 9.256 5.146 -1.548 1.00 0.70 H new ATOM 0 HB1 ALA A 75 7.556 6.412 -0.086 1.00 0.74 H new ATOM 0 HB2 ALA A 75 8.841 5.697 0.917 1.00 0.74 H new ATOM 0 HB3 ALA A 75 8.885 7.431 0.517 1.00 0.74 H new ATOM 1178 N ARG A 76 9.140 8.374 -2.063 1.00 0.58 N ATOM 1179 CA ARG A 76 8.744 9.491 -2.949 1.00 0.50 C ATOM 1180 C ARG A 76 7.233 9.749 -3.047 1.00 0.47 C ATOM 1181 O ARG A 76 6.395 9.006 -2.538 1.00 0.60 O ATOM 1182 CB ARG A 76 9.373 9.380 -4.360 1.00 0.56 C ATOM 1183 CG ARG A 76 10.850 8.992 -4.285 1.00 0.72 C ATOM 1184 CD ARG A 76 11.679 9.402 -5.512 1.00 0.90 C ATOM 1185 NE ARG A 76 13.109 9.523 -5.164 1.00 1.45 N ATOM 1186 CZ ARG A 76 13.910 8.565 -4.703 1.00 2.24 C ATOM 1187 NH1 ARG A 76 13.582 7.299 -4.755 1.00 3.71 N ATOM 1188 NH2 ARG A 76 15.041 8.883 -4.132 1.00 2.75 N ATOM 0 H ARG A 76 9.553 8.722 -1.198 1.00 0.58 H new ATOM 0 HA ARG A 76 9.156 10.367 -2.449 1.00 0.50 H new ATOM 0 HB2 ARG A 76 8.830 8.637 -4.945 1.00 0.56 H new ATOM 0 HB3 ARG A 76 9.272 10.332 -4.881 1.00 0.56 H new ATOM 0 HG2 ARG A 76 11.288 9.448 -3.397 1.00 0.72 H new ATOM 0 HG3 ARG A 76 10.923 7.912 -4.157 1.00 0.72 H new ATOM 0 HD2 ARG A 76 11.554 8.663 -6.304 1.00 0.90 H new ATOM 0 HD3 ARG A 76 11.314 10.352 -5.902 1.00 0.90 H new ATOM 0 HE ARG A 76 13.530 10.443 -5.291 1.00 1.45 H new ATOM 0 HH11 ARG A 76 12.688 7.020 -5.158 1.00 3.71 H new ATOM 0 HH12 ARG A 76 14.221 6.591 -4.392 1.00 3.71 H new ATOM 0 HH21 ARG A 76 15.308 9.863 -4.040 1.00 2.75 H new ATOM 0 HH22 ARG A 76 15.657 8.151 -3.778 1.00 2.75 H new ATOM 1202 N ASP A 77 6.933 10.876 -3.687 1.00 0.48 N ATOM 1203 CA ASP A 77 5.644 11.398 -4.115 1.00 0.53 C ATOM 1204 C ASP A 77 5.144 10.697 -5.390 1.00 0.48 C ATOM 1205 O ASP A 77 5.692 10.864 -6.479 1.00 0.54 O ATOM 1206 CB ASP A 77 5.764 12.927 -4.303 1.00 0.67 C ATOM 1207 CG ASP A 77 6.961 13.404 -5.151 1.00 2.33 C ATOM 1208 OD1 ASP A 77 8.103 12.976 -4.844 1.00 3.57 O ATOM 1209 OD2 ASP A 77 6.738 14.252 -6.042 1.00 3.35 O ATOM 0 H ASP A 77 7.680 11.520 -3.948 1.00 0.48 H new ATOM 0 HA ASP A 77 4.897 11.193 -3.348 1.00 0.53 H new ATOM 0 HB2 ASP A 77 4.847 13.291 -4.766 1.00 0.67 H new ATOM 0 HB3 ASP A 77 5.831 13.392 -3.319 1.00 0.67 H new ATOM 1214 N LEU A 78 4.094 9.892 -5.231 1.00 0.44 N ATOM 1215 CA LEU A 78 3.327 9.260 -6.310 1.00 0.43 C ATOM 1216 C LEU A 78 2.606 10.299 -7.189 1.00 0.37 C ATOM 1217 O LEU A 78 2.248 11.386 -6.731 1.00 0.40 O ATOM 1218 CB LEU A 78 2.297 8.294 -5.690 1.00 0.57 C ATOM 1219 CG LEU A 78 2.943 7.190 -4.823 1.00 0.75 C ATOM 1220 CD1 LEU A 78 1.914 6.478 -3.953 1.00 1.21 C ATOM 1221 CD2 LEU A 78 3.771 6.222 -5.680 1.00 1.31 C ATOM 0 H LEU A 78 3.737 9.650 -4.307 1.00 0.44 H new ATOM 0 HA LEU A 78 4.021 8.718 -6.952 1.00 0.43 H new ATOM 0 HB2 LEU A 78 1.596 8.863 -5.079 1.00 0.57 H new ATOM 0 HB3 LEU A 78 1.719 7.828 -6.488 1.00 0.57 H new ATOM 0 HG LEU A 78 3.638 7.671 -4.135 1.00 0.75 H new ATOM 0 HD11 LEU A 78 2.409 5.709 -3.359 1.00 1.21 H new ATOM 0 HD12 LEU A 78 1.438 7.199 -3.289 1.00 1.21 H new ATOM 0 HD13 LEU A 78 1.158 6.015 -4.588 1.00 1.21 H new ATOM 0 HD21 LEU A 78 4.212 5.457 -5.041 1.00 1.31 H new ATOM 0 HD22 LEU A 78 3.126 5.749 -6.420 1.00 1.31 H new ATOM 0 HD23 LEU A 78 4.563 6.772 -6.188 1.00 1.31 H new ATOM 1233 N SER A 79 2.341 9.948 -8.454 1.00 0.39 N ATOM 1234 CA SER A 79 1.643 10.831 -9.397 1.00 0.40 C ATOM 1235 C SER A 79 0.187 11.103 -9.008 1.00 0.40 C ATOM 1236 O SER A 79 -0.521 10.242 -8.485 1.00 0.44 O ATOM 1237 CB SER A 79 1.695 10.207 -10.792 1.00 0.48 C ATOM 1238 OG SER A 79 0.844 10.834 -11.728 1.00 1.32 O ATOM 0 H SER A 79 2.604 9.046 -8.852 1.00 0.39 H new ATOM 0 HA SER A 79 2.154 11.794 -9.378 1.00 0.40 H new ATOM 0 HB2 SER A 79 2.720 10.249 -11.161 1.00 0.48 H new ATOM 0 HB3 SER A 79 1.426 9.153 -10.719 1.00 0.48 H new ATOM 0 HG SER A 79 0.528 10.172 -12.378 1.00 1.32 H new ATOM 1244 N ALA A 80 -0.303 12.283 -9.401 1.00 0.43 N ATOM 1245 CA ALA A 80 -1.709 12.656 -9.331 1.00 0.49 C ATOM 1246 C ALA A 80 -2.631 11.656 -10.051 1.00 0.50 C ATOM 1247 O ALA A 80 -3.738 11.396 -9.581 1.00 0.57 O ATOM 1248 CB ALA A 80 -1.857 14.050 -9.942 1.00 0.56 C ATOM 0 H ALA A 80 0.287 13.021 -9.786 1.00 0.43 H new ATOM 0 HA ALA A 80 -2.017 12.650 -8.285 1.00 0.49 H new ATOM 0 HB1 ALA A 80 -2.903 14.355 -9.903 1.00 0.56 H new ATOM 0 HB2 ALA A 80 -1.250 14.760 -9.380 1.00 0.56 H new ATOM 0 HB3 ALA A 80 -1.524 14.030 -10.980 1.00 0.56 H new ATOM 1254 N LYS A 81 -2.184 11.072 -11.178 1.00 0.48 N ATOM 1255 CA LYS A 81 -2.964 10.048 -11.894 1.00 0.56 C ATOM 1256 C LYS A 81 -3.000 8.730 -11.128 1.00 0.56 C ATOM 1257 O LYS A 81 -3.980 7.993 -11.234 1.00 0.51 O ATOM 1258 CB LYS A 81 -2.430 9.778 -13.313 1.00 0.63 C ATOM 1259 CG LYS A 81 -1.879 11.009 -14.051 1.00 0.54 C ATOM 1260 CD LYS A 81 -1.729 10.833 -15.571 1.00 1.78 C ATOM 1261 CE LYS A 81 -3.061 10.894 -16.338 1.00 2.36 C ATOM 1262 NZ LYS A 81 -3.717 9.569 -16.459 1.00 4.30 N ATOM 0 H LYS A 81 -1.287 11.292 -11.611 1.00 0.48 H new ATOM 0 HA LYS A 81 -3.972 10.455 -11.973 1.00 0.56 H new ATOM 0 HB2 LYS A 81 -1.641 9.029 -13.250 1.00 0.63 H new ATOM 0 HB3 LYS A 81 -3.233 9.346 -13.910 1.00 0.63 H new ATOM 0 HG2 LYS A 81 -2.539 11.855 -13.860 1.00 0.54 H new ATOM 0 HG3 LYS A 81 -0.906 11.262 -13.630 1.00 0.54 H new ATOM 0 HD2 LYS A 81 -1.065 11.608 -15.953 1.00 1.78 H new ATOM 0 HD3 LYS A 81 -1.249 9.875 -15.771 1.00 1.78 H new ATOM 0 HE2 LYS A 81 -3.736 11.583 -15.830 1.00 2.36 H new ATOM 0 HE3 LYS A 81 -2.883 11.298 -17.334 1.00 2.36 H new ATOM 0 HZ1 LYS A 81 -4.173 9.491 -17.390 1.00 4.30 H new ATOM 0 HZ2 LYS A 81 -3.004 8.818 -16.359 1.00 4.30 H new ATOM 0 HZ3 LYS A 81 -4.434 9.467 -15.713 1.00 4.30 H new ATOM 1276 N GLU A 82 -1.938 8.456 -10.366 1.00 0.63 N ATOM 1277 CA GLU A 82 -1.785 7.252 -9.577 1.00 0.56 C ATOM 1278 C GLU A 82 -2.830 7.248 -8.468 1.00 0.50 C ATOM 1279 O GLU A 82 -3.723 6.407 -8.496 1.00 0.52 O ATOM 1280 CB GLU A 82 -0.347 7.193 -9.049 1.00 0.64 C ATOM 1281 CG GLU A 82 0.111 5.761 -8.798 1.00 0.74 C ATOM 1282 CD GLU A 82 -0.102 5.405 -7.337 1.00 2.00 C ATOM 1283 OE1 GLU A 82 -1.270 5.355 -6.905 1.00 3.52 O ATOM 1284 OE2 GLU A 82 0.924 5.219 -6.666 1.00 2.40 O ATOM 0 H GLU A 82 -1.143 9.090 -10.285 1.00 0.63 H new ATOM 0 HA GLU A 82 -1.951 6.356 -10.175 1.00 0.56 H new ATOM 0 HB2 GLU A 82 0.322 7.667 -9.767 1.00 0.64 H new ATOM 0 HB3 GLU A 82 -0.277 7.764 -8.123 1.00 0.64 H new ATOM 0 HG2 GLU A 82 -0.446 5.074 -9.435 1.00 0.74 H new ATOM 0 HG3 GLU A 82 1.164 5.655 -9.059 1.00 0.74 H new ATOM 1291 N THR A 83 -2.779 8.243 -7.567 1.00 0.52 N ATOM 1292 CA THR A 83 -3.670 8.331 -6.402 1.00 0.55 C ATOM 1293 C THR A 83 -5.150 8.192 -6.775 1.00 0.60 C ATOM 1294 O THR A 83 -5.858 7.387 -6.163 1.00 0.59 O ATOM 1295 CB THR A 83 -3.373 9.575 -5.538 1.00 0.79 C ATOM 1296 OG1 THR A 83 -4.313 9.715 -4.499 1.00 2.42 O ATOM 1297 CG2 THR A 83 -3.324 10.905 -6.292 1.00 1.48 C ATOM 0 H THR A 83 -2.113 9.013 -7.628 1.00 0.52 H new ATOM 0 HA THR A 83 -3.450 7.467 -5.774 1.00 0.55 H new ATOM 0 HB THR A 83 -2.371 9.378 -5.157 1.00 0.79 H new ATOM 0 HG1 THR A 83 -4.904 10.472 -4.692 1.00 2.42 H new ATOM 0 HG21 THR A 83 -3.109 11.712 -5.592 1.00 1.48 H new ATOM 0 HG22 THR A 83 -2.542 10.865 -7.051 1.00 1.48 H new ATOM 0 HG23 THR A 83 -4.286 11.087 -6.771 1.00 1.48 H new ATOM 1305 N LYS A 84 -5.582 8.862 -7.855 1.00 0.66 N ATOM 1306 CA LYS A 84 -6.921 8.735 -8.446 1.00 0.68 C ATOM 1307 C LYS A 84 -7.280 7.275 -8.754 1.00 0.59 C ATOM 1308 O LYS A 84 -8.291 6.774 -8.260 1.00 0.64 O ATOM 1309 CB LYS A 84 -7.013 9.603 -9.713 1.00 0.74 C ATOM 1310 CG LYS A 84 -7.013 11.111 -9.406 1.00 1.74 C ATOM 1311 CD LYS A 84 -6.752 11.953 -10.667 1.00 1.93 C ATOM 1312 CE LYS A 84 -7.871 11.874 -11.714 1.00 2.00 C ATOM 1313 NZ LYS A 84 -9.083 12.604 -11.277 1.00 2.12 N ATOM 0 H LYS A 84 -4.991 9.526 -8.355 1.00 0.66 H new ATOM 0 HA LYS A 84 -7.648 9.089 -7.714 1.00 0.68 H new ATOM 0 HB2 LYS A 84 -6.174 9.371 -10.368 1.00 0.74 H new ATOM 0 HB3 LYS A 84 -7.922 9.348 -10.257 1.00 0.74 H new ATOM 0 HG2 LYS A 84 -7.973 11.393 -8.973 1.00 1.74 H new ATOM 0 HG3 LYS A 84 -6.250 11.329 -8.659 1.00 1.74 H new ATOM 0 HD2 LYS A 84 -6.615 12.994 -10.374 1.00 1.93 H new ATOM 0 HD3 LYS A 84 -5.818 11.625 -11.123 1.00 1.93 H new ATOM 0 HE2 LYS A 84 -7.517 12.289 -12.657 1.00 2.00 H new ATOM 0 HE3 LYS A 84 -8.122 10.830 -11.900 1.00 2.00 H new ATOM 0 HZ1 LYS A 84 -9.817 12.528 -12.010 1.00 2.12 H new ATOM 0 HZ2 LYS A 84 -9.436 12.192 -10.390 1.00 2.12 H new ATOM 0 HZ3 LYS A 84 -8.849 13.606 -11.124 1.00 2.12 H new ATOM 1327 N MET A 85 -6.473 6.599 -9.581 1.00 0.51 N ATOM 1328 CA MET A 85 -6.701 5.195 -9.945 1.00 0.48 C ATOM 1329 C MET A 85 -6.559 4.242 -8.750 1.00 0.45 C ATOM 1330 O MET A 85 -7.394 3.355 -8.583 1.00 0.52 O ATOM 1331 CB MET A 85 -5.758 4.771 -11.080 1.00 0.54 C ATOM 1332 CG MET A 85 -6.194 5.386 -12.416 1.00 1.72 C ATOM 1333 SD MET A 85 -5.214 4.887 -13.862 1.00 2.22 S ATOM 1334 CE MET A 85 -5.616 3.119 -13.954 1.00 2.16 C ATOM 0 H MET A 85 -5.646 7.008 -10.016 1.00 0.51 H new ATOM 0 HA MET A 85 -7.733 5.124 -10.289 1.00 0.48 H new ATOM 0 HB2 MET A 85 -4.740 5.083 -10.847 1.00 0.54 H new ATOM 0 HB3 MET A 85 -5.748 3.684 -11.162 1.00 0.54 H new ATOM 0 HG2 MET A 85 -7.236 5.121 -12.596 1.00 1.72 H new ATOM 0 HG3 MET A 85 -6.152 6.472 -12.327 1.00 1.72 H new ATOM 0 HE1 MET A 85 -5.267 2.716 -14.905 1.00 2.16 H new ATOM 0 HE2 MET A 85 -5.127 2.592 -13.135 1.00 2.16 H new ATOM 0 HE3 MET A 85 -6.695 2.987 -13.878 1.00 2.16 H new ATOM 1344 N LEU A 86 -5.530 4.418 -7.916 1.00 0.41 N ATOM 1345 CA LEU A 86 -5.275 3.588 -6.744 1.00 0.51 C ATOM 1346 C LEU A 86 -6.409 3.671 -5.724 1.00 0.57 C ATOM 1347 O LEU A 86 -6.853 2.616 -5.277 1.00 0.71 O ATOM 1348 CB LEU A 86 -3.913 3.952 -6.137 1.00 0.60 C ATOM 1349 CG LEU A 86 -3.600 3.270 -4.790 1.00 0.80 C ATOM 1350 CD1 LEU A 86 -3.612 1.739 -4.881 1.00 2.12 C ATOM 1351 CD2 LEU A 86 -2.238 3.744 -4.281 1.00 1.57 C ATOM 0 H LEU A 86 -4.839 5.158 -8.043 1.00 0.41 H new ATOM 0 HA LEU A 86 -5.239 2.545 -7.059 1.00 0.51 H new ATOM 0 HB2 LEU A 86 -3.132 3.690 -6.851 1.00 0.60 H new ATOM 0 HB3 LEU A 86 -3.870 5.032 -5.999 1.00 0.60 H new ATOM 0 HG LEU A 86 -4.389 3.555 -4.094 1.00 0.80 H new ATOM 0 HD11 LEU A 86 -3.385 1.315 -3.903 1.00 2.12 H new ATOM 0 HD12 LEU A 86 -4.597 1.401 -5.203 1.00 2.12 H new ATOM 0 HD13 LEU A 86 -2.862 1.411 -5.601 1.00 2.12 H new ATOM 0 HD21 LEU A 86 -2.017 3.262 -3.329 1.00 1.57 H new ATOM 0 HD22 LEU A 86 -1.468 3.484 -5.007 1.00 1.57 H new ATOM 0 HD23 LEU A 86 -2.257 4.825 -4.144 1.00 1.57 H new ATOM 1363 N MET A 87 -6.915 4.861 -5.363 1.00 0.59 N ATOM 1364 CA MET A 87 -8.076 4.914 -4.468 1.00 0.80 C ATOM 1365 C MET A 87 -9.296 4.228 -5.101 1.00 0.64 C ATOM 1366 O MET A 87 -9.948 3.433 -4.431 1.00 0.71 O ATOM 1367 CB MET A 87 -8.384 6.331 -3.952 1.00 1.19 C ATOM 1368 CG MET A 87 -9.021 7.298 -4.956 1.00 1.30 C ATOM 1369 SD MET A 87 -9.650 8.805 -4.179 1.00 1.51 S ATOM 1370 CE MET A 87 -10.099 9.743 -5.660 1.00 2.30 C ATOM 0 H MET A 87 -6.554 5.766 -5.664 1.00 0.59 H new ATOM 0 HA MET A 87 -7.813 4.345 -3.576 1.00 0.80 H new ATOM 0 HB2 MET A 87 -9.048 6.245 -3.092 1.00 1.19 H new ATOM 0 HB3 MET A 87 -7.455 6.774 -3.594 1.00 1.19 H new ATOM 0 HG2 MET A 87 -8.284 7.566 -5.713 1.00 1.30 H new ATOM 0 HG3 MET A 87 -9.838 6.793 -5.471 1.00 1.30 H new ATOM 0 HE1 MET A 87 -10.621 10.654 -5.369 1.00 2.30 H new ATOM 0 HE2 MET A 87 -9.197 10.003 -6.214 1.00 2.30 H new ATOM 0 HE3 MET A 87 -10.750 9.138 -6.291 1.00 2.30 H new ATOM 1380 N ALA A 88 -9.561 4.464 -6.395 1.00 0.54 N ATOM 1381 CA ALA A 88 -10.697 3.880 -7.108 1.00 0.51 C ATOM 1382 C ALA A 88 -10.615 2.349 -7.259 1.00 0.53 C ATOM 1383 O ALA A 88 -11.649 1.687 -7.278 1.00 0.77 O ATOM 1384 CB ALA A 88 -10.815 4.564 -8.474 1.00 0.59 C ATOM 0 H ALA A 88 -8.985 5.072 -6.977 1.00 0.54 H new ATOM 0 HA ALA A 88 -11.592 4.056 -6.511 1.00 0.51 H new ATOM 0 HB1 ALA A 88 -11.658 4.141 -9.021 1.00 0.59 H new ATOM 0 HB2 ALA A 88 -10.974 5.633 -8.333 1.00 0.59 H new ATOM 0 HB3 ALA A 88 -9.898 4.405 -9.041 1.00 0.59 H new ATOM 1390 N ALA A 89 -9.408 1.777 -7.360 1.00 0.49 N ATOM 1391 CA ALA A 89 -9.188 0.331 -7.341 1.00 0.53 C ATOM 1392 C ALA A 89 -9.174 -0.241 -5.912 1.00 0.59 C ATOM 1393 O ALA A 89 -9.730 -1.311 -5.670 1.00 0.74 O ATOM 1394 CB ALA A 89 -7.865 0.033 -8.058 1.00 0.67 C ATOM 0 H ALA A 89 -8.548 2.316 -7.458 1.00 0.49 H new ATOM 0 HA ALA A 89 -10.017 -0.155 -7.856 1.00 0.53 H new ATOM 0 HB1 ALA A 89 -7.683 -1.042 -8.054 1.00 0.67 H new ATOM 0 HB2 ALA A 89 -7.921 0.388 -9.087 1.00 0.67 H new ATOM 0 HB3 ALA A 89 -7.050 0.541 -7.543 1.00 0.67 H new ATOM 1400 N GLY A 90 -8.519 0.454 -4.975 1.00 0.61 N ATOM 1401 CA GLY A 90 -8.263 0.006 -3.609 1.00 0.67 C ATOM 1402 C GLY A 90 -9.485 0.077 -2.696 1.00 0.59 C ATOM 1403 O GLY A 90 -9.621 -0.749 -1.794 1.00 0.73 O ATOM 0 H GLY A 90 -8.139 1.382 -5.160 1.00 0.61 H new ATOM 0 HA2 GLY A 90 -7.901 -1.022 -3.636 1.00 0.67 H new ATOM 0 HA3 GLY A 90 -7.466 0.614 -3.181 1.00 0.67 H new ATOM 1407 N ASP A 91 -10.384 1.032 -2.947 1.00 0.51 N ATOM 1408 CA ASP A 91 -11.758 1.007 -2.463 1.00 0.57 C ATOM 1409 C ASP A 91 -12.592 0.014 -3.294 1.00 0.52 C ATOM 1410 O ASP A 91 -13.205 0.367 -4.300 1.00 0.70 O ATOM 1411 CB ASP A 91 -12.346 2.416 -2.525 1.00 0.73 C ATOM 1412 CG ASP A 91 -13.806 2.430 -2.089 1.00 0.95 C ATOM 1413 OD1 ASP A 91 -14.177 1.717 -1.123 1.00 1.01 O ATOM 1414 OD2 ASP A 91 -14.574 3.208 -2.687 1.00 1.38 O ATOM 0 H ASP A 91 -10.168 1.859 -3.504 1.00 0.51 H new ATOM 0 HA ASP A 91 -11.777 0.672 -1.426 1.00 0.57 H new ATOM 0 HB2 ASP A 91 -11.767 3.082 -1.885 1.00 0.73 H new ATOM 0 HB3 ASP A 91 -12.265 2.801 -3.541 1.00 0.73 H new ATOM 1419 N LYS A 92 -12.622 -1.243 -2.856 1.00 0.86 N ATOM 1420 CA LYS A 92 -13.546 -2.278 -3.323 1.00 1.06 C ATOM 1421 C LYS A 92 -14.972 -2.087 -2.790 1.00 1.02 C ATOM 1422 O LYS A 92 -15.913 -2.514 -3.455 1.00 1.16 O ATOM 1423 CB LYS A 92 -12.989 -3.646 -2.894 1.00 1.49 C ATOM 1424 CG LYS A 92 -11.858 -4.119 -3.829 1.00 1.64 C ATOM 1425 CD LYS A 92 -12.310 -5.383 -4.571 1.00 2.45 C ATOM 1426 CE LYS A 92 -11.462 -5.680 -5.806 1.00 3.12 C ATOM 1427 NZ LYS A 92 -12.072 -6.796 -6.559 1.00 3.79 N ATOM 0 H LYS A 92 -11.980 -1.583 -2.140 1.00 0.86 H new ATOM 0 HA LYS A 92 -13.619 -2.211 -4.408 1.00 1.06 H new ATOM 0 HB2 LYS A 92 -12.614 -3.582 -1.872 1.00 1.49 H new ATOM 0 HB3 LYS A 92 -13.793 -4.382 -2.893 1.00 1.49 H new ATOM 0 HG2 LYS A 92 -11.608 -3.334 -4.543 1.00 1.64 H new ATOM 0 HG3 LYS A 92 -10.956 -4.325 -3.253 1.00 1.64 H new ATOM 0 HD2 LYS A 92 -12.264 -6.234 -3.891 1.00 2.45 H new ATOM 0 HD3 LYS A 92 -13.352 -5.270 -4.870 1.00 2.45 H new ATOM 0 HE2 LYS A 92 -11.395 -4.794 -6.437 1.00 3.12 H new ATOM 0 HE3 LYS A 92 -10.445 -5.938 -5.510 1.00 3.12 H new ATOM 0 HZ1 LYS A 92 -11.497 -7.002 -7.401 1.00 3.79 H new ATOM 0 HZ2 LYS A 92 -12.114 -7.641 -5.954 1.00 3.79 H new ATOM 0 HZ3 LYS A 92 -13.034 -6.532 -6.852 1.00 3.79 H new ATOM 1441 N ASP A 93 -15.141 -1.464 -1.617 1.00 0.96 N ATOM 1442 CA ASP A 93 -16.448 -1.276 -0.972 1.00 1.03 C ATOM 1443 C ASP A 93 -17.315 -0.198 -1.639 1.00 0.87 C ATOM 1444 O ASP A 93 -18.526 -0.380 -1.761 1.00 0.92 O ATOM 1445 CB ASP A 93 -16.257 -0.893 0.504 1.00 1.36 C ATOM 1446 CG ASP A 93 -15.713 -2.026 1.377 1.00 0.84 C ATOM 1447 OD1 ASP A 93 -16.166 -3.177 1.205 1.00 1.23 O ATOM 1448 OD2 ASP A 93 -14.861 -1.696 2.233 1.00 1.42 O ATOM 0 H ASP A 93 -14.366 -1.072 -1.083 1.00 0.96 H new ATOM 0 HA ASP A 93 -16.968 -2.229 -1.073 1.00 1.03 H new ATOM 0 HB2 ASP A 93 -15.576 -0.044 0.563 1.00 1.36 H new ATOM 0 HB3 ASP A 93 -17.213 -0.563 0.910 1.00 1.36 H new ATOM 1453 N GLY A 94 -16.718 0.937 -2.024 1.00 0.89 N ATOM 1454 CA GLY A 94 -17.425 2.135 -2.489 1.00 0.90 C ATOM 1455 C GLY A 94 -17.436 3.291 -1.473 1.00 0.87 C ATOM 1456 O GLY A 94 -18.310 4.152 -1.558 1.00 1.05 O ATOM 0 H GLY A 94 -15.704 1.049 -2.020 1.00 0.89 H new ATOM 0 HA2 GLY A 94 -16.962 2.482 -3.413 1.00 0.90 H new ATOM 0 HA3 GLY A 94 -18.454 1.867 -2.729 1.00 0.90 H new ATOM 1460 N ASP A 95 -16.502 3.319 -0.509 1.00 0.74 N ATOM 1461 CA ASP A 95 -16.370 4.389 0.504 1.00 0.77 C ATOM 1462 C ASP A 95 -15.213 5.379 0.241 1.00 0.73 C ATOM 1463 O ASP A 95 -14.952 6.267 1.054 1.00 1.16 O ATOM 1464 CB ASP A 95 -16.292 3.778 1.912 1.00 0.93 C ATOM 1465 CG ASP A 95 -15.094 2.853 2.110 1.00 1.28 C ATOM 1466 OD1 ASP A 95 -13.954 3.074 1.639 1.00 3.45 O ATOM 1467 OD2 ASP A 95 -15.228 1.734 2.645 1.00 0.92 O ATOM 0 H ASP A 95 -15.801 2.585 -0.406 1.00 0.74 H new ATOM 0 HA ASP A 95 -17.271 4.998 0.426 1.00 0.77 H new ATOM 0 HB2 ASP A 95 -16.245 4.582 2.646 1.00 0.93 H new ATOM 0 HB3 ASP A 95 -17.208 3.220 2.108 1.00 0.93 H new ATOM 1472 N GLY A 96 -14.518 5.235 -0.890 1.00 0.60 N ATOM 1473 CA GLY A 96 -13.434 6.089 -1.368 1.00 0.66 C ATOM 1474 C GLY A 96 -12.106 5.960 -0.622 1.00 0.57 C ATOM 1475 O GLY A 96 -11.217 6.778 -0.853 1.00 0.76 O ATOM 0 H GLY A 96 -14.712 4.469 -1.536 1.00 0.60 H new ATOM 0 HA2 GLY A 96 -13.260 5.868 -2.421 1.00 0.66 H new ATOM 0 HA3 GLY A 96 -13.762 7.127 -1.310 1.00 0.66 H new ATOM 1479 N LYS A 97 -11.944 4.954 0.250 1.00 0.46 N ATOM 1480 CA LYS A 97 -10.704 4.709 0.999 1.00 0.50 C ATOM 1481 C LYS A 97 -10.194 3.280 0.835 1.00 0.63 C ATOM 1482 O LYS A 97 -10.974 2.350 0.643 1.00 0.89 O ATOM 1483 CB LYS A 97 -10.962 5.023 2.478 1.00 0.54 C ATOM 1484 CG LYS A 97 -10.817 6.522 2.789 1.00 0.70 C ATOM 1485 CD LYS A 97 -11.931 7.072 3.687 1.00 0.91 C ATOM 1486 CE LYS A 97 -11.417 8.324 4.404 1.00 2.20 C ATOM 1487 NZ LYS A 97 -12.352 8.780 5.455 1.00 2.74 N ATOM 0 H LYS A 97 -12.680 4.279 0.457 1.00 0.46 H new ATOM 0 HA LYS A 97 -9.925 5.358 0.600 1.00 0.50 H new ATOM 0 HB2 LYS A 97 -11.965 4.693 2.748 1.00 0.54 H new ATOM 0 HB3 LYS A 97 -10.264 4.457 3.095 1.00 0.54 H new ATOM 0 HG2 LYS A 97 -9.855 6.693 3.272 1.00 0.70 H new ATOM 0 HG3 LYS A 97 -10.808 7.080 1.853 1.00 0.70 H new ATOM 0 HD2 LYS A 97 -12.811 7.313 3.091 1.00 0.91 H new ATOM 0 HD3 LYS A 97 -12.235 6.319 4.414 1.00 0.91 H new ATOM 0 HE2 LYS A 97 -10.445 8.114 4.849 1.00 2.20 H new ATOM 0 HE3 LYS A 97 -11.269 9.123 3.678 1.00 2.20 H new ATOM 0 HZ1 LYS A 97 -11.968 9.629 5.917 1.00 2.74 H new ATOM 0 HZ2 LYS A 97 -13.273 9.005 5.027 1.00 2.74 H new ATOM 0 HZ3 LYS A 97 -12.474 8.027 6.162 1.00 2.74 H new ATOM 1501 N ILE A 98 -8.885 3.090 1.023 1.00 0.46 N ATOM 1502 CA ILE A 98 -8.295 1.754 1.187 1.00 0.44 C ATOM 1503 C ILE A 98 -8.574 1.318 2.625 1.00 0.40 C ATOM 1504 O ILE A 98 -8.172 2.009 3.565 1.00 0.40 O ATOM 1505 CB ILE A 98 -6.788 1.745 0.806 1.00 0.44 C ATOM 1506 CG1 ILE A 98 -6.708 2.047 -0.710 1.00 0.51 C ATOM 1507 CG2 ILE A 98 -6.043 0.441 1.187 1.00 0.45 C ATOM 1508 CD1 ILE A 98 -5.380 1.733 -1.406 1.00 0.64 C ATOM 0 H ILE A 98 -8.207 3.851 1.066 1.00 0.46 H new ATOM 0 HA ILE A 98 -8.745 1.033 0.505 1.00 0.44 H new ATOM 0 HB ILE A 98 -6.268 2.507 1.387 1.00 0.44 H new ATOM 0 HG12 ILE A 98 -7.496 1.484 -1.211 1.00 0.51 H new ATOM 0 HG13 ILE A 98 -6.928 3.104 -0.858 1.00 0.51 H new ATOM 0 HG21 ILE A 98 -4.998 0.518 0.886 1.00 0.45 H new ATOM 0 HG22 ILE A 98 -6.100 0.291 2.265 1.00 0.45 H new ATOM 0 HG23 ILE A 98 -6.506 -0.404 0.678 1.00 0.45 H new ATOM 0 HD11 ILE A 98 -5.454 1.989 -2.463 1.00 0.64 H new ATOM 0 HD12 ILE A 98 -4.582 2.316 -0.946 1.00 0.64 H new ATOM 0 HD13 ILE A 98 -5.158 0.671 -1.305 1.00 0.64 H new ATOM 1520 N GLY A 99 -9.296 0.202 2.779 1.00 0.40 N ATOM 1521 CA GLY A 99 -9.418 -0.552 4.028 1.00 0.40 C ATOM 1522 C GLY A 99 -8.597 -1.844 3.974 1.00 0.36 C ATOM 1523 O GLY A 99 -8.442 -2.445 2.914 1.00 0.38 O ATOM 0 H GLY A 99 -9.827 -0.212 2.013 1.00 0.40 H new ATOM 0 HA2 GLY A 99 -9.080 0.063 4.862 1.00 0.40 H new ATOM 0 HA3 GLY A 99 -10.466 -0.790 4.212 1.00 0.40 H new ATOM 1527 N VAL A 100 -8.090 -2.292 5.128 1.00 0.37 N ATOM 1528 CA VAL A 100 -7.184 -3.446 5.262 1.00 0.38 C ATOM 1529 C VAL A 100 -7.647 -4.723 4.547 1.00 0.37 C ATOM 1530 O VAL A 100 -6.892 -5.296 3.761 1.00 0.44 O ATOM 1531 CB VAL A 100 -6.870 -3.706 6.749 1.00 0.45 C ATOM 1532 CG1 VAL A 100 -8.071 -4.009 7.659 1.00 0.50 C ATOM 1533 CG2 VAL A 100 -5.866 -4.848 6.879 1.00 0.58 C ATOM 0 H VAL A 100 -8.303 -1.851 6.023 1.00 0.37 H new ATOM 0 HA VAL A 100 -6.269 -3.167 4.739 1.00 0.38 H new ATOM 0 HB VAL A 100 -6.470 -2.755 7.101 1.00 0.45 H new ATOM 0 HG11 VAL A 100 -7.723 -4.174 8.679 1.00 0.50 H new ATOM 0 HG12 VAL A 100 -8.761 -3.166 7.643 1.00 0.50 H new ATOM 0 HG13 VAL A 100 -8.582 -4.903 7.302 1.00 0.50 H new ATOM 0 HG21 VAL A 100 -5.650 -5.025 7.933 1.00 0.58 H new ATOM 0 HG22 VAL A 100 -6.285 -5.753 6.438 1.00 0.58 H new ATOM 0 HG23 VAL A 100 -4.945 -4.584 6.359 1.00 0.58 H new ATOM 1543 N ASP A 101 -8.873 -5.176 4.830 1.00 0.37 N ATOM 1544 CA ASP A 101 -9.411 -6.450 4.340 1.00 0.43 C ATOM 1545 C ASP A 101 -9.621 -6.430 2.814 1.00 0.41 C ATOM 1546 O ASP A 101 -9.333 -7.406 2.112 1.00 0.46 O ATOM 1547 CB ASP A 101 -10.716 -6.731 5.101 1.00 0.50 C ATOM 1548 CG ASP A 101 -10.974 -8.231 5.224 1.00 0.86 C ATOM 1549 OD1 ASP A 101 -10.289 -8.847 6.070 1.00 2.16 O ATOM 1550 OD2 ASP A 101 -11.841 -8.734 4.479 1.00 2.00 O ATOM 0 H ASP A 101 -9.530 -4.660 5.415 1.00 0.37 H new ATOM 0 HA ASP A 101 -8.699 -7.254 4.526 1.00 0.43 H new ATOM 0 HB2 ASP A 101 -10.663 -6.286 6.095 1.00 0.50 H new ATOM 0 HB3 ASP A 101 -11.550 -6.257 4.584 1.00 0.50 H new ATOM 1555 N GLU A 102 -10.016 -5.258 2.296 1.00 0.39 N ATOM 1556 CA GLU A 102 -9.994 -4.939 0.872 1.00 0.42 C ATOM 1557 C GLU A 102 -8.565 -5.068 0.348 1.00 0.42 C ATOM 1558 O GLU A 102 -8.302 -5.891 -0.520 1.00 0.49 O ATOM 1559 CB GLU A 102 -10.516 -3.518 0.576 1.00 0.52 C ATOM 1560 CG GLU A 102 -11.760 -3.082 1.354 1.00 0.67 C ATOM 1561 CD GLU A 102 -12.173 -1.680 0.903 1.00 1.24 C ATOM 1562 OE1 GLU A 102 -12.704 -1.553 -0.219 1.00 3.21 O ATOM 1563 OE2 GLU A 102 -11.980 -0.683 1.654 1.00 1.00 O ATOM 0 H GLU A 102 -10.366 -4.493 2.873 1.00 0.39 H new ATOM 0 HA GLU A 102 -10.657 -5.643 0.370 1.00 0.42 H new ATOM 0 HB2 GLU A 102 -9.715 -2.808 0.784 1.00 0.52 H new ATOM 0 HB3 GLU A 102 -10.736 -3.448 -0.489 1.00 0.52 H new ATOM 0 HG2 GLU A 102 -12.575 -3.786 1.184 1.00 0.67 H new ATOM 0 HG3 GLU A 102 -11.554 -3.086 2.424 1.00 0.67 H new ATOM 1570 N PHE A 103 -7.627 -4.285 0.893 1.00 0.41 N ATOM 1571 CA PHE A 103 -6.254 -4.164 0.402 1.00 0.49 C ATOM 1572 C PHE A 103 -5.530 -5.515 0.333 1.00 0.48 C ATOM 1573 O PHE A 103 -4.830 -5.784 -0.640 1.00 0.54 O ATOM 1574 CB PHE A 103 -5.505 -3.159 1.294 1.00 0.65 C ATOM 1575 CG PHE A 103 -4.303 -2.432 0.707 1.00 0.49 C ATOM 1576 CD1 PHE A 103 -4.205 -2.132 -0.670 1.00 1.83 C ATOM 1577 CD2 PHE A 103 -3.319 -1.938 1.586 1.00 1.65 C ATOM 1578 CE1 PHE A 103 -3.129 -1.370 -1.158 1.00 2.21 C ATOM 1579 CE2 PHE A 103 -2.247 -1.170 1.099 1.00 1.99 C ATOM 1580 CZ PHE A 103 -2.151 -0.885 -0.274 1.00 1.74 C ATOM 0 H PHE A 103 -7.810 -3.703 1.710 1.00 0.41 H new ATOM 0 HA PHE A 103 -6.278 -3.798 -0.625 1.00 0.49 H new ATOM 0 HB2 PHE A 103 -6.222 -2.406 1.622 1.00 0.65 H new ATOM 0 HB3 PHE A 103 -5.170 -3.690 2.185 1.00 0.65 H new ATOM 0 HD1 PHE A 103 -4.962 -2.490 -1.352 1.00 1.83 H new ATOM 0 HD2 PHE A 103 -3.389 -2.151 2.642 1.00 1.65 H new ATOM 0 HE1 PHE A 103 -3.054 -1.157 -2.214 1.00 2.21 H new ATOM 0 HE2 PHE A 103 -1.496 -0.798 1.781 1.00 1.99 H new ATOM 0 HZ PHE A 103 -1.328 -0.295 -0.648 1.00 1.74 H new ATOM 1590 N SER A 104 -5.772 -6.382 1.323 1.00 0.46 N ATOM 1591 CA SER A 104 -5.310 -7.772 1.398 1.00 0.48 C ATOM 1592 C SER A 104 -5.739 -8.648 0.209 1.00 0.47 C ATOM 1593 O SER A 104 -5.010 -9.556 -0.191 1.00 0.75 O ATOM 1594 CB SER A 104 -5.872 -8.366 2.692 1.00 0.52 C ATOM 1595 OG SER A 104 -5.338 -9.650 2.936 1.00 0.93 O ATOM 0 H SER A 104 -6.326 -6.118 2.138 1.00 0.46 H new ATOM 0 HA SER A 104 -4.220 -7.761 1.374 1.00 0.48 H new ATOM 0 HB2 SER A 104 -5.640 -7.707 3.529 1.00 0.52 H new ATOM 0 HB3 SER A 104 -6.958 -8.427 2.626 1.00 0.52 H new ATOM 0 HG SER A 104 -5.712 -10.007 3.769 1.00 0.93 H new ATOM 1601 N THR A 105 -6.916 -8.386 -0.371 1.00 0.43 N ATOM 1602 CA THR A 105 -7.631 -9.298 -1.277 1.00 0.43 C ATOM 1603 C THR A 105 -7.837 -8.715 -2.682 1.00 0.43 C ATOM 1604 O THR A 105 -7.774 -9.439 -3.676 1.00 0.45 O ATOM 1605 CB THR A 105 -8.961 -9.707 -0.628 1.00 0.43 C ATOM 1606 OG1 THR A 105 -9.742 -8.580 -0.278 1.00 0.43 O ATOM 1607 CG2 THR A 105 -8.717 -10.554 0.623 1.00 0.44 C ATOM 0 H THR A 105 -7.413 -7.508 -0.220 1.00 0.43 H new ATOM 0 HA THR A 105 -7.011 -10.182 -1.426 1.00 0.43 H new ATOM 0 HB THR A 105 -9.507 -10.293 -1.367 1.00 0.43 H new ATOM 0 HG1 THR A 105 -9.648 -8.402 0.681 1.00 0.43 H new ATOM 0 HG21 THR A 105 -9.673 -10.832 1.066 1.00 0.44 H new ATOM 0 HG22 THR A 105 -8.167 -11.455 0.351 1.00 0.44 H new ATOM 0 HG23 THR A 105 -8.136 -9.979 1.344 1.00 0.44 H new ATOM 1615 N LEU A 106 -7.899 -7.388 -2.779 1.00 0.46 N ATOM 1616 CA LEU A 106 -7.705 -6.536 -3.956 1.00 0.49 C ATOM 1617 C LEU A 106 -6.498 -6.971 -4.804 1.00 0.46 C ATOM 1618 O LEU A 106 -6.536 -6.933 -6.031 1.00 0.57 O ATOM 1619 CB LEU A 106 -7.572 -5.107 -3.383 1.00 0.63 C ATOM 1620 CG LEU A 106 -7.233 -3.916 -4.287 1.00 0.72 C ATOM 1621 CD1 LEU A 106 -5.729 -3.774 -4.511 1.00 1.88 C ATOM 1622 CD2 LEU A 106 -7.997 -3.908 -5.608 1.00 2.27 C ATOM 0 H LEU A 106 -8.107 -6.825 -1.954 1.00 0.46 H new ATOM 0 HA LEU A 106 -8.537 -6.604 -4.657 1.00 0.49 H new ATOM 0 HB2 LEU A 106 -8.515 -4.873 -2.889 1.00 0.63 H new ATOM 0 HB3 LEU A 106 -6.807 -5.145 -2.607 1.00 0.63 H new ATOM 0 HG LEU A 106 -7.574 -3.037 -3.740 1.00 0.72 H new ATOM 0 HD11 LEU A 106 -5.537 -2.917 -5.157 1.00 1.88 H new ATOM 0 HD12 LEU A 106 -5.231 -3.625 -3.553 1.00 1.88 H new ATOM 0 HD13 LEU A 106 -5.344 -4.678 -4.983 1.00 1.88 H new ATOM 0 HD21 LEU A 106 -7.704 -3.036 -6.193 1.00 2.27 H new ATOM 0 HD22 LEU A 106 -7.766 -4.814 -6.168 1.00 2.27 H new ATOM 0 HD23 LEU A 106 -9.068 -3.868 -5.409 1.00 2.27 H new ATOM 1634 N VAL A 107 -5.428 -7.427 -4.153 1.00 0.42 N ATOM 1635 CA VAL A 107 -4.213 -7.929 -4.807 1.00 0.45 C ATOM 1636 C VAL A 107 -4.203 -9.439 -5.058 1.00 0.47 C ATOM 1637 O VAL A 107 -3.382 -9.938 -5.830 1.00 0.56 O ATOM 1638 CB VAL A 107 -3.002 -7.552 -3.959 1.00 0.46 C ATOM 1639 CG1 VAL A 107 -2.842 -6.026 -3.963 1.00 0.59 C ATOM 1640 CG2 VAL A 107 -3.106 -8.103 -2.530 1.00 0.59 C ATOM 0 H VAL A 107 -5.378 -7.460 -3.135 1.00 0.42 H new ATOM 0 HA VAL A 107 -4.181 -7.462 -5.791 1.00 0.45 H new ATOM 0 HB VAL A 107 -2.114 -8.008 -4.396 1.00 0.46 H new ATOM 0 HG11 VAL A 107 -1.978 -5.749 -3.359 1.00 0.59 H new ATOM 0 HG12 VAL A 107 -2.696 -5.678 -4.986 1.00 0.59 H new ATOM 0 HG13 VAL A 107 -3.738 -5.565 -3.548 1.00 0.59 H new ATOM 0 HG21 VAL A 107 -2.223 -7.811 -1.962 1.00 0.59 H new ATOM 0 HG22 VAL A 107 -3.997 -7.700 -2.049 1.00 0.59 H new ATOM 0 HG23 VAL A 107 -3.172 -9.190 -2.563 1.00 0.59 H new ATOM 1650 N ALA A 108 -5.103 -10.186 -4.421 1.00 0.44 N ATOM 1651 CA ALA A 108 -5.333 -11.605 -4.677 1.00 0.52 C ATOM 1652 C ALA A 108 -6.125 -11.816 -5.974 1.00 0.65 C ATOM 1653 O ALA A 108 -5.870 -12.787 -6.679 1.00 0.89 O ATOM 1654 CB ALA A 108 -6.011 -12.224 -3.459 1.00 0.48 C ATOM 0 H ALA A 108 -5.709 -9.809 -3.692 1.00 0.44 H new ATOM 0 HA ALA A 108 -4.381 -12.113 -4.829 1.00 0.52 H new ATOM 0 HB1 ALA A 108 -6.187 -13.284 -3.640 1.00 0.48 H new ATOM 0 HB2 ALA A 108 -5.369 -12.107 -2.586 1.00 0.48 H new ATOM 0 HB3 ALA A 108 -6.962 -11.724 -3.279 1.00 0.48 H new