USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=19 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 28 LYS NZ :NH3+ -156:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 32 GLN : amide:sc= -0.102 K(o=2.4,f=-8!) USER MOD Set 1.3: A 37 LYS NZ :NH3+ -167:sc= 1.32 (180deg=1.29) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.421 K(o=0.42,f=-1.4) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 178:sc= 0.912 USER MOD Single : A 22 THR OG1 : rot 130:sc= 0.843 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-0.8) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.2) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 1.24 (180deg=0.752) 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+ 180:sc= 0.996 (180deg=0.996) USER MOD Single : A 49 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 50 MET CE :methyl 165:sc= -0.111 (180deg=-0.414) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0645) USER MOD Single : A 56 SER OG : rot 20:sc= 0.544 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 62:sc= 0.899 USER MOD Single : A 79 SER OG : rot -169:sc= 0.929 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.000398 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -136:sc= 0 (180deg=-0.051) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= 1.18 (180deg=0.211) USER MOD Single : A 104 SER OG : rot 101:sc= 0.924 USER MOD Single : A 105 THR OG1 : rot -91:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 9.613 -4.551 8.640 1.00 0.62 N ATOM 49 CA THR A 4 10.947 -5.162 8.536 1.00 0.44 C ATOM 50 C THR A 4 10.907 -6.548 9.171 1.00 0.48 C ATOM 51 O THR A 4 11.329 -7.513 8.545 1.00 0.65 O ATOM 52 CB THR A 4 11.992 -4.269 9.244 1.00 0.58 C ATOM 53 OG1 THR A 4 12.309 -3.201 8.385 1.00 0.73 O ATOM 54 CG2 THR A 4 13.309 -4.955 9.619 1.00 0.72 C ATOM 0 HA THR A 4 11.232 -5.255 7.488 1.00 0.44 H new ATOM 0 HB THR A 4 11.526 -3.966 10.182 1.00 0.58 H new ATOM 0 HG1 THR A 4 12.970 -2.620 8.816 1.00 0.73 H new ATOM 0 HG21 THR A 4 13.967 -4.237 10.109 1.00 0.72 H new ATOM 0 HG22 THR A 4 13.107 -5.784 10.297 1.00 0.72 H new ATOM 0 HG23 THR A 4 13.792 -5.333 8.718 1.00 0.72 H new ATOM 62 N ASP A 5 10.381 -6.626 10.401 1.00 0.51 N ATOM 63 CA ASP A 5 10.377 -7.819 11.248 1.00 0.60 C ATOM 64 C ASP A 5 9.164 -8.725 10.974 1.00 0.61 C ATOM 65 O ASP A 5 9.308 -9.938 10.844 1.00 0.82 O ATOM 66 CB ASP A 5 10.398 -7.326 12.702 1.00 0.69 C ATOM 67 CG ASP A 5 10.620 -8.454 13.708 1.00 1.06 C ATOM 68 OD1 ASP A 5 11.735 -9.017 13.690 1.00 1.85 O ATOM 69 OD2 ASP A 5 9.682 -8.695 14.499 1.00 1.89 O ATOM 0 H ASP A 5 9.930 -5.827 10.847 1.00 0.51 H new ATOM 0 HA ASP A 5 11.249 -8.437 11.034 1.00 0.60 H new ATOM 0 HB2 ASP A 5 11.187 -6.583 12.817 1.00 0.69 H new ATOM 0 HB3 ASP A 5 9.455 -6.827 12.925 1.00 0.69 H new ATOM 74 N LEU A 6 7.976 -8.124 10.837 1.00 0.58 N ATOM 75 CA LEU A 6 6.727 -8.798 10.471 1.00 0.63 C ATOM 76 C LEU A 6 6.815 -9.317 9.025 1.00 0.50 C ATOM 77 O LEU A 6 6.753 -10.521 8.769 1.00 0.62 O ATOM 78 CB LEU A 6 5.554 -7.803 10.637 1.00 0.78 C ATOM 79 CG LEU A 6 5.010 -7.561 12.060 1.00 1.07 C ATOM 80 CD1 LEU A 6 4.223 -8.760 12.595 1.00 2.51 C ATOM 81 CD2 LEU A 6 6.087 -7.175 13.075 1.00 1.67 C ATOM 0 H LEU A 6 7.855 -7.122 10.983 1.00 0.58 H new ATOM 0 HA LEU A 6 6.558 -9.655 11.123 1.00 0.63 H new ATOM 0 HB2 LEU A 6 5.871 -6.842 10.232 1.00 0.78 H new ATOM 0 HB3 LEU A 6 4.728 -8.153 10.018 1.00 0.78 H new ATOM 0 HG LEU A 6 4.338 -6.710 11.948 1.00 1.07 H new ATOM 0 HD11 LEU A 6 3.862 -8.539 13.599 1.00 2.51 H new ATOM 0 HD12 LEU A 6 3.375 -8.960 11.940 1.00 2.51 H new ATOM 0 HD13 LEU A 6 4.871 -9.636 12.627 1.00 2.51 H new ATOM 0 HD21 LEU A 6 5.628 -7.021 14.052 1.00 1.67 H new ATOM 0 HD22 LEU A 6 6.826 -7.973 13.143 1.00 1.67 H new ATOM 0 HD23 LEU A 6 6.576 -6.255 12.755 1.00 1.67 H new ATOM 93 N LEU A 7 6.975 -8.377 8.081 1.00 0.53 N ATOM 94 CA LEU A 7 7.024 -8.629 6.645 1.00 0.56 C ATOM 95 C LEU A 7 8.282 -9.368 6.191 1.00 0.64 C ATOM 96 O LEU A 7 8.175 -10.553 5.893 1.00 1.42 O ATOM 97 CB LEU A 7 6.741 -7.340 5.848 1.00 0.69 C ATOM 98 CG LEU A 7 5.255 -7.195 5.478 1.00 0.68 C ATOM 99 CD1 LEU A 7 4.920 -5.769 5.034 1.00 2.21 C ATOM 100 CD2 LEU A 7 4.895 -8.114 4.309 1.00 2.01 C ATOM 0 H LEU A 7 7.077 -7.389 8.311 1.00 0.53 H new ATOM 0 HA LEU A 7 6.218 -9.327 6.419 1.00 0.56 H new ATOM 0 HB2 LEU A 7 7.052 -6.477 6.436 1.00 0.69 H new ATOM 0 HB3 LEU A 7 7.341 -7.339 4.938 1.00 0.69 H new ATOM 0 HG LEU A 7 4.691 -7.456 6.374 1.00 0.68 H new ATOM 0 HD11 LEU A 7 3.862 -5.706 4.781 1.00 2.21 H new ATOM 0 HD12 LEU A 7 5.141 -5.074 5.844 1.00 2.21 H new ATOM 0 HD13 LEU A 7 5.518 -5.510 4.160 1.00 2.21 H new ATOM 0 HD21 LEU A 7 3.840 -7.995 4.064 1.00 2.01 H new ATOM 0 HD22 LEU A 7 5.500 -7.853 3.441 1.00 2.01 H new ATOM 0 HD23 LEU A 7 5.088 -9.150 4.588 1.00 2.01 H new ATOM 112 N ASN A 8 9.410 -8.644 6.125 1.00 0.53 N ATOM 113 CA ASN A 8 10.758 -8.988 5.649 1.00 0.46 C ATOM 114 C ASN A 8 11.367 -7.787 4.902 1.00 0.39 C ATOM 115 O ASN A 8 10.858 -7.399 3.848 1.00 0.44 O ATOM 116 CB ASN A 8 10.815 -10.191 4.688 1.00 0.53 C ATOM 117 CG ASN A 8 10.745 -11.572 5.312 1.00 0.82 C ATOM 118 OD1 ASN A 8 11.122 -11.819 6.447 1.00 1.54 O ATOM 119 ND2 ASN A 8 10.290 -12.525 4.525 1.00 1.39 N ATOM 0 H ASN A 8 9.394 -7.676 6.447 1.00 0.53 H new ATOM 0 HA ASN A 8 11.313 -9.255 6.548 1.00 0.46 H new ATOM 0 HB2 ASN A 8 9.993 -10.097 3.978 1.00 0.53 H new ATOM 0 HB3 ASN A 8 11.740 -10.124 4.115 1.00 0.53 H new ATOM 0 HD21 ASN A 8 10.248 -13.487 4.861 1.00 1.39 H new ATOM 0 HD22 ASN A 8 9.979 -12.301 3.580 1.00 1.39 H new ATOM 126 N ALA A 9 12.472 -7.223 5.401 1.00 0.33 N ATOM 127 CA ALA A 9 13.214 -6.141 4.737 1.00 0.32 C ATOM 128 C ALA A 9 13.569 -6.422 3.257 1.00 0.28 C ATOM 129 O ALA A 9 13.437 -5.539 2.411 1.00 0.30 O ATOM 130 CB ALA A 9 14.475 -5.849 5.553 1.00 0.43 C ATOM 0 H ALA A 9 12.883 -7.508 6.290 1.00 0.33 H new ATOM 0 HA ALA A 9 12.557 -5.272 4.703 1.00 0.32 H new ATOM 0 HB1 ALA A 9 15.040 -5.048 5.076 1.00 0.43 H new ATOM 0 HB2 ALA A 9 14.194 -5.544 6.561 1.00 0.43 H new ATOM 0 HB3 ALA A 9 15.091 -6.747 5.604 1.00 0.43 H new ATOM 136 N GLU A 10 14.001 -7.643 2.929 1.00 0.28 N ATOM 137 CA GLU A 10 14.401 -8.070 1.581 1.00 0.30 C ATOM 138 C GLU A 10 13.222 -8.059 0.600 1.00 0.32 C ATOM 139 O GLU A 10 13.341 -7.578 -0.529 1.00 0.45 O ATOM 140 CB GLU A 10 15.008 -9.487 1.618 1.00 0.38 C ATOM 141 CG GLU A 10 16.201 -9.648 2.576 1.00 1.19 C ATOM 142 CD GLU A 10 15.782 -10.167 3.964 1.00 2.47 C ATOM 143 OE1 GLU A 10 14.875 -9.551 4.576 1.00 4.07 O ATOM 144 OE2 GLU A 10 16.367 -11.183 4.393 1.00 2.75 O ATOM 0 H GLU A 10 14.086 -8.390 3.618 1.00 0.28 H new ATOM 0 HA GLU A 10 15.146 -7.355 1.234 1.00 0.30 H new ATOM 0 HB2 GLU A 10 14.230 -10.194 1.906 1.00 0.38 H new ATOM 0 HB3 GLU A 10 15.328 -9.757 0.612 1.00 0.38 H new ATOM 0 HG2 GLU A 10 16.923 -10.337 2.138 1.00 1.19 H new ATOM 0 HG3 GLU A 10 16.704 -8.687 2.688 1.00 1.19 H new ATOM 151 N ASP A 11 12.072 -8.563 1.054 1.00 0.30 N ATOM 152 CA ASP A 11 10.814 -8.511 0.318 1.00 0.32 C ATOM 153 C ASP A 11 10.368 -7.040 0.163 1.00 0.27 C ATOM 154 O ASP A 11 10.094 -6.603 -0.955 1.00 0.27 O ATOM 155 CB ASP A 11 9.762 -9.395 1.013 1.00 0.36 C ATOM 156 CG ASP A 11 10.054 -10.907 1.035 1.00 0.72 C ATOM 157 OD1 ASP A 11 10.510 -11.459 0.013 1.00 2.00 O ATOM 158 OD2 ASP A 11 9.716 -11.578 2.042 1.00 1.80 O ATOM 0 H ASP A 11 11.991 -9.026 1.959 1.00 0.30 H new ATOM 0 HA ASP A 11 10.942 -8.913 -0.687 1.00 0.32 H new ATOM 0 HB2 ASP A 11 9.652 -9.052 2.042 1.00 0.36 H new ATOM 0 HB3 ASP A 11 8.803 -9.238 0.520 1.00 0.36 H new ATOM 163 N ILE A 12 10.392 -6.240 1.246 1.00 0.27 N ATOM 164 CA ILE A 12 10.175 -4.776 1.232 1.00 0.26 C ATOM 165 C ILE A 12 11.034 -4.059 0.181 1.00 0.25 C ATOM 166 O ILE A 12 10.526 -3.206 -0.546 1.00 0.27 O ATOM 167 CB ILE A 12 10.356 -4.172 2.653 1.00 0.29 C ATOM 168 CG1 ILE A 12 9.006 -3.902 3.351 1.00 0.41 C ATOM 169 CG2 ILE A 12 11.121 -2.846 2.693 1.00 0.37 C ATOM 170 CD1 ILE A 12 8.497 -5.145 4.057 1.00 0.52 C ATOM 0 H ILE A 12 10.568 -6.602 2.183 1.00 0.27 H new ATOM 0 HA ILE A 12 9.141 -4.608 0.932 1.00 0.26 H new ATOM 0 HB ILE A 12 10.935 -4.940 3.166 1.00 0.29 H new ATOM 0 HG12 ILE A 12 9.121 -3.092 4.072 1.00 0.41 H new ATOM 0 HG13 ILE A 12 8.273 -3.572 2.615 1.00 0.41 H new ATOM 0 HG21 ILE A 12 11.198 -2.501 3.724 1.00 0.37 H new ATOM 0 HG22 ILE A 12 12.121 -2.990 2.283 1.00 0.37 H new ATOM 0 HG23 ILE A 12 10.590 -2.101 2.100 1.00 0.37 H new ATOM 0 HD11 ILE A 12 7.545 -4.925 4.540 1.00 0.52 H new ATOM 0 HD12 ILE A 12 8.359 -5.946 3.330 1.00 0.52 H new ATOM 0 HD13 ILE A 12 9.221 -5.459 4.809 1.00 0.52 H new ATOM 182 N LYS A 13 12.323 -4.397 0.079 1.00 0.27 N ATOM 183 CA LYS A 13 13.246 -3.834 -0.907 1.00 0.32 C ATOM 184 C LYS A 13 12.719 -4.043 -2.333 1.00 0.36 C ATOM 185 O LYS A 13 12.615 -3.078 -3.094 1.00 0.42 O ATOM 186 CB LYS A 13 14.643 -4.413 -0.619 1.00 0.43 C ATOM 187 CG LYS A 13 15.607 -4.525 -1.802 1.00 1.12 C ATOM 188 CD LYS A 13 15.861 -3.198 -2.538 1.00 1.73 C ATOM 189 CE LYS A 13 17.347 -2.994 -2.851 1.00 2.61 C ATOM 190 NZ LYS A 13 18.106 -2.588 -1.643 1.00 3.64 N ATOM 0 H LYS A 13 12.761 -5.084 0.693 1.00 0.27 H new ATOM 0 HA LYS A 13 13.327 -2.750 -0.824 1.00 0.32 H new ATOM 0 HB2 LYS A 13 15.115 -3.795 0.145 1.00 0.43 H new ATOM 0 HB3 LYS A 13 14.516 -5.407 -0.191 1.00 0.43 H new ATOM 0 HG2 LYS A 13 16.559 -4.917 -1.444 1.00 1.12 H new ATOM 0 HG3 LYS A 13 15.210 -5.251 -2.512 1.00 1.12 H new ATOM 0 HD2 LYS A 13 15.289 -3.182 -3.466 1.00 1.73 H new ATOM 0 HD3 LYS A 13 15.501 -2.370 -1.928 1.00 1.73 H new ATOM 0 HE2 LYS A 13 17.766 -3.917 -3.252 1.00 2.61 H new ATOM 0 HE3 LYS A 13 17.456 -2.233 -3.623 1.00 2.61 H new ATOM 0 HZ1 LYS A 13 19.108 -2.458 -1.890 1.00 3.64 H new ATOM 0 HZ2 LYS A 13 17.721 -1.694 -1.276 1.00 3.64 H new ATOM 0 HZ3 LYS A 13 18.021 -3.326 -0.915 1.00 3.64 H new ATOM 204 N LYS A 14 12.351 -5.279 -2.688 1.00 0.38 N ATOM 205 CA LYS A 14 11.778 -5.608 -4.005 1.00 0.48 C ATOM 206 C LYS A 14 10.381 -5.010 -4.207 1.00 0.51 C ATOM 207 O LYS A 14 10.019 -4.683 -5.332 1.00 0.68 O ATOM 208 CB LYS A 14 11.785 -7.132 -4.209 1.00 0.60 C ATOM 209 CG LYS A 14 13.234 -7.653 -4.247 1.00 0.92 C ATOM 210 CD LYS A 14 13.348 -9.178 -4.347 1.00 1.48 C ATOM 211 CE LYS A 14 13.090 -9.685 -5.769 1.00 2.02 C ATOM 212 NZ LYS A 14 13.446 -11.119 -5.889 1.00 3.03 N ATOM 0 H LYS A 14 12.441 -6.085 -2.070 1.00 0.38 H new ATOM 0 HA LYS A 14 12.406 -5.150 -4.769 1.00 0.48 H new ATOM 0 HB2 LYS A 14 11.237 -7.618 -3.402 1.00 0.60 H new ATOM 0 HB3 LYS A 14 11.275 -7.385 -5.138 1.00 0.60 H new ATOM 0 HG2 LYS A 14 13.748 -7.204 -5.097 1.00 0.92 H new ATOM 0 HG3 LYS A 14 13.753 -7.319 -3.348 1.00 0.92 H new ATOM 0 HD2 LYS A 14 14.343 -9.488 -4.027 1.00 1.48 H new ATOM 0 HD3 LYS A 14 12.635 -9.640 -3.664 1.00 1.48 H new ATOM 0 HE2 LYS A 14 12.040 -9.544 -6.025 1.00 2.02 H new ATOM 0 HE3 LYS A 14 13.673 -9.100 -6.480 1.00 2.02 H new ATOM 0 HZ1 LYS A 14 13.263 -11.442 -6.861 1.00 3.03 H new ATOM 0 HZ2 LYS A 14 14.454 -11.246 -5.665 1.00 3.03 H new ATOM 0 HZ3 LYS A 14 12.871 -11.676 -5.225 1.00 3.03 H new ATOM 226 N ALA A 15 9.632 -4.813 -3.122 1.00 0.41 N ATOM 227 CA ALA A 15 8.332 -4.160 -3.100 1.00 0.46 C ATOM 228 C ALA A 15 8.410 -2.667 -3.441 1.00 0.41 C ATOM 229 O ALA A 15 7.803 -2.221 -4.413 1.00 0.44 O ATOM 230 CB ALA A 15 7.740 -4.364 -1.712 1.00 0.49 C ATOM 0 H ALA A 15 9.932 -5.119 -2.196 1.00 0.41 H new ATOM 0 HA ALA A 15 7.699 -4.605 -3.868 1.00 0.46 H new ATOM 0 HB1 ALA A 15 6.762 -3.886 -1.660 1.00 0.49 H new ATOM 0 HB2 ALA A 15 7.633 -5.431 -1.515 1.00 0.49 H new ATOM 0 HB3 ALA A 15 8.400 -3.922 -0.966 1.00 0.49 H new ATOM 236 N VAL A 16 9.168 -1.880 -2.667 1.00 0.35 N ATOM 237 CA VAL A 16 9.340 -0.449 -2.949 1.00 0.34 C ATOM 238 C VAL A 16 9.958 -0.260 -4.338 1.00 0.36 C ATOM 239 O VAL A 16 9.502 0.596 -5.088 1.00 0.46 O ATOM 240 CB VAL A 16 10.137 0.261 -1.838 1.00 0.34 C ATOM 241 CG1 VAL A 16 10.301 1.757 -2.117 1.00 0.55 C ATOM 242 CG2 VAL A 16 9.416 0.144 -0.488 1.00 0.75 C ATOM 0 H VAL A 16 9.671 -2.209 -1.843 1.00 0.35 H new ATOM 0 HA VAL A 16 8.359 0.027 -2.957 1.00 0.34 H new ATOM 0 HB VAL A 16 11.111 -0.227 -1.812 1.00 0.34 H new ATOM 0 HG11 VAL A 16 10.869 2.218 -1.309 1.00 0.55 H new ATOM 0 HG12 VAL A 16 10.833 1.895 -3.058 1.00 0.55 H new ATOM 0 HG13 VAL A 16 9.319 2.225 -2.183 1.00 0.55 H new ATOM 0 HG21 VAL A 16 9.998 0.653 0.281 1.00 0.75 H new ATOM 0 HG22 VAL A 16 8.430 0.604 -0.561 1.00 0.75 H new ATOM 0 HG23 VAL A 16 9.307 -0.908 -0.224 1.00 0.75 H new ATOM 252 N GLY A 17 10.870 -1.153 -4.755 1.00 0.38 N ATOM 253 CA GLY A 17 11.429 -1.183 -6.109 1.00 0.49 C ATOM 254 C GLY A 17 10.414 -1.482 -7.225 1.00 0.59 C ATOM 255 O GLY A 17 10.767 -1.367 -8.396 1.00 0.92 O ATOM 0 H GLY A 17 11.243 -1.884 -4.149 1.00 0.38 H new ATOM 0 HA2 GLY A 17 11.898 -0.221 -6.314 1.00 0.49 H new ATOM 0 HA3 GLY A 17 12.217 -1.935 -6.144 1.00 0.49 H new ATOM 259 N ALA A 18 9.171 -1.849 -6.886 1.00 0.42 N ATOM 260 CA ALA A 18 8.064 -2.053 -7.816 1.00 0.47 C ATOM 261 C ALA A 18 7.138 -0.823 -7.899 1.00 0.45 C ATOM 262 O ALA A 18 6.799 -0.401 -9.000 1.00 0.66 O ATOM 263 CB ALA A 18 7.310 -3.318 -7.390 1.00 0.60 C ATOM 0 H ALA A 18 8.904 -2.017 -5.916 1.00 0.42 H new ATOM 0 HA ALA A 18 8.456 -2.185 -8.825 1.00 0.47 H new ATOM 0 HB1 ALA A 18 6.477 -3.492 -8.071 1.00 0.60 H new ATOM 0 HB2 ALA A 18 7.987 -4.172 -7.419 1.00 0.60 H new ATOM 0 HB3 ALA A 18 6.930 -3.191 -6.376 1.00 0.60 H new ATOM 269 N PHE A 19 6.737 -0.233 -6.759 1.00 0.48 N ATOM 270 CA PHE A 19 5.915 0.990 -6.733 1.00 0.57 C ATOM 271 C PHE A 19 6.719 2.300 -6.940 1.00 0.58 C ATOM 272 O PHE A 19 6.092 3.313 -7.247 1.00 0.68 O ATOM 273 CB PHE A 19 5.151 1.107 -5.401 1.00 0.69 C ATOM 274 CG PHE A 19 3.965 0.192 -5.102 1.00 0.72 C ATOM 275 CD1 PHE A 19 3.086 -0.217 -6.121 1.00 2.01 C ATOM 276 CD2 PHE A 19 3.618 -0.076 -3.760 1.00 2.07 C ATOM 277 CE1 PHE A 19 1.897 -0.892 -5.794 1.00 2.04 C ATOM 278 CE2 PHE A 19 2.401 -0.702 -3.429 1.00 2.03 C ATOM 279 CZ PHE A 19 1.554 -1.135 -4.454 1.00 0.68 C ATOM 0 H PHE A 19 6.973 -0.589 -5.833 1.00 0.48 H new ATOM 0 HA PHE A 19 5.231 0.883 -7.575 1.00 0.57 H new ATOM 0 HB2 PHE A 19 5.877 0.964 -4.601 1.00 0.69 H new ATOM 0 HB3 PHE A 19 4.792 2.133 -5.326 1.00 0.69 H new ATOM 0 HD1 PHE A 19 3.324 -0.013 -7.154 1.00 2.01 H new ATOM 0 HD2 PHE A 19 4.300 0.205 -2.971 1.00 2.07 H new ATOM 0 HE1 PHE A 19 1.240 -1.228 -6.582 1.00 2.04 H new ATOM 0 HE2 PHE A 19 2.125 -0.846 -2.395 1.00 2.03 H new ATOM 0 HZ PHE A 19 0.638 -1.655 -4.216 1.00 0.68 H new ATOM 289 N SER A 20 8.057 2.336 -6.776 1.00 0.63 N ATOM 290 CA SER A 20 8.894 3.540 -6.992 1.00 0.75 C ATOM 291 C SER A 20 8.936 3.983 -8.468 1.00 0.71 C ATOM 292 O SER A 20 9.922 3.794 -9.179 1.00 0.78 O ATOM 293 CB SER A 20 10.314 3.383 -6.413 1.00 1.01 C ATOM 294 OG SER A 20 10.310 3.666 -5.025 1.00 2.29 O ATOM 0 H SER A 20 8.596 1.520 -6.486 1.00 0.63 H new ATOM 0 HA SER A 20 8.405 4.339 -6.436 1.00 0.75 H new ATOM 0 HB2 SER A 20 10.674 2.368 -6.584 1.00 1.01 H new ATOM 0 HB3 SER A 20 11.001 4.056 -6.927 1.00 1.01 H new ATOM 0 HG SER A 20 11.210 3.531 -4.661 1.00 2.29 H new ATOM 300 N ALA A 21 7.843 4.610 -8.907 1.00 0.71 N ATOM 301 CA ALA A 21 7.601 5.212 -10.214 1.00 0.81 C ATOM 302 C ALA A 21 6.634 6.411 -10.073 1.00 0.94 C ATOM 303 O ALA A 21 6.213 6.745 -8.967 1.00 1.52 O ATOM 304 CB ALA A 21 7.032 4.122 -11.132 1.00 0.84 C ATOM 0 H ALA A 21 7.032 4.718 -8.298 1.00 0.71 H new ATOM 0 HA ALA A 21 8.524 5.599 -10.646 1.00 0.81 H new ATOM 0 HB1 ALA A 21 6.840 4.542 -12.119 1.00 0.84 H new ATOM 0 HB2 ALA A 21 7.751 3.307 -11.218 1.00 0.84 H new ATOM 0 HB3 ALA A 21 6.101 3.742 -10.712 1.00 0.84 H new ATOM 310 N THR A 22 6.275 7.067 -11.186 1.00 0.80 N ATOM 311 CA THR A 22 5.280 8.152 -11.205 1.00 0.90 C ATOM 312 C THR A 22 3.861 7.612 -10.997 1.00 1.38 C ATOM 313 O THR A 22 3.250 7.879 -9.966 1.00 2.93 O ATOM 314 CB THR A 22 5.365 8.965 -12.512 1.00 0.64 C ATOM 315 OG1 THR A 22 5.298 8.115 -13.638 1.00 0.87 O ATOM 316 CG2 THR A 22 6.659 9.773 -12.595 1.00 0.98 C ATOM 0 H THR A 22 6.668 6.859 -12.104 1.00 0.80 H new ATOM 0 HA THR A 22 5.512 8.819 -10.375 1.00 0.90 H new ATOM 0 HB THR A 22 4.517 9.649 -12.508 1.00 0.64 H new ATOM 0 HG1 THR A 22 4.617 8.448 -14.259 1.00 0.87 H new ATOM 0 HG21 THR A 22 6.680 10.332 -13.531 1.00 0.98 H new ATOM 0 HG22 THR A 22 6.709 10.468 -11.757 1.00 0.98 H new ATOM 0 HG23 THR A 22 7.513 9.097 -12.557 1.00 0.98 H new ATOM 324 N ASP A 23 3.345 6.874 -11.987 1.00 0.64 N ATOM 325 CA ASP A 23 1.960 6.413 -12.136 1.00 0.72 C ATOM 326 C ASP A 23 1.862 4.872 -12.168 1.00 0.81 C ATOM 327 O ASP A 23 0.767 4.321 -12.260 1.00 1.10 O ATOM 328 CB ASP A 23 1.316 7.028 -13.411 1.00 0.72 C ATOM 329 CG ASP A 23 1.914 8.375 -13.849 1.00 1.91 C ATOM 330 OD1 ASP A 23 3.046 8.342 -14.395 1.00 3.07 O ATOM 331 OD2 ASP A 23 1.286 9.427 -13.602 1.00 2.79 O ATOM 0 H ASP A 23 3.928 6.560 -12.763 1.00 0.64 H new ATOM 0 HA ASP A 23 1.408 6.754 -11.261 1.00 0.72 H new ATOM 0 HB2 ASP A 23 1.417 6.317 -14.231 1.00 0.72 H new ATOM 0 HB3 ASP A 23 0.249 7.160 -13.234 1.00 0.72 H new ATOM 336 N SER A 24 3.000 4.160 -12.113 1.00 0.71 N ATOM 337 CA SER A 24 3.108 2.738 -12.477 1.00 0.66 C ATOM 338 C SER A 24 2.811 1.824 -11.280 1.00 0.79 C ATOM 339 O SER A 24 3.629 1.013 -10.848 1.00 1.50 O ATOM 340 CB SER A 24 4.473 2.459 -13.116 1.00 0.64 C ATOM 341 OG SER A 24 4.405 1.293 -13.910 1.00 1.24 O ATOM 0 H SER A 24 3.886 4.564 -11.809 1.00 0.71 H new ATOM 0 HA SER A 24 2.346 2.508 -13.222 1.00 0.66 H new ATOM 0 HB2 SER A 24 4.778 3.308 -13.728 1.00 0.64 H new ATOM 0 HB3 SER A 24 5.229 2.337 -12.340 1.00 0.64 H new ATOM 0 HG SER A 24 5.280 1.122 -14.316 1.00 1.24 H new ATOM 347 N PHE A 25 1.624 2.011 -10.706 1.00 0.57 N ATOM 348 CA PHE A 25 1.164 1.333 -9.502 1.00 0.55 C ATOM 349 C PHE A 25 0.761 -0.122 -9.774 1.00 0.75 C ATOM 350 O PHE A 25 -0.267 -0.386 -10.400 1.00 1.81 O ATOM 351 CB PHE A 25 -0.043 2.105 -8.974 1.00 0.69 C ATOM 352 CG PHE A 25 -0.630 1.511 -7.718 1.00 0.87 C ATOM 353 CD1 PHE A 25 0.038 1.658 -6.490 1.00 1.78 C ATOM 354 CD2 PHE A 25 -1.821 0.770 -7.789 1.00 1.93 C ATOM 355 CE1 PHE A 25 -0.478 1.062 -5.332 1.00 1.94 C ATOM 356 CE2 PHE A 25 -2.328 0.160 -6.634 1.00 2.23 C ATOM 357 CZ PHE A 25 -1.639 0.282 -5.411 1.00 1.62 C ATOM 0 H PHE A 25 0.934 2.662 -11.082 1.00 0.57 H new ATOM 0 HA PHE A 25 1.977 1.308 -8.776 1.00 0.55 H new ATOM 0 HB2 PHE A 25 0.252 3.136 -8.776 1.00 0.69 H new ATOM 0 HB3 PHE A 25 -0.812 2.136 -9.746 1.00 0.69 H new ATOM 0 HD1 PHE A 25 0.951 2.232 -6.439 1.00 1.78 H new ATOM 0 HD2 PHE A 25 -2.343 0.671 -8.729 1.00 1.93 H new ATOM 0 HE1 PHE A 25 0.017 1.203 -4.383 1.00 1.94 H new ATOM 0 HE2 PHE A 25 -3.248 -0.404 -6.681 1.00 2.23 H new ATOM 0 HZ PHE A 25 -2.007 -0.227 -4.532 1.00 1.62 H new ATOM 367 N ASP A 26 1.541 -1.076 -9.262 1.00 0.57 N ATOM 368 CA ASP A 26 1.357 -2.499 -9.540 1.00 0.59 C ATOM 369 C ASP A 26 1.038 -3.304 -8.263 1.00 0.52 C ATOM 370 O ASP A 26 1.868 -4.053 -7.749 1.00 0.52 O ATOM 371 CB ASP A 26 2.583 -2.990 -10.329 1.00 0.79 C ATOM 372 CG ASP A 26 2.236 -4.157 -11.252 1.00 1.39 C ATOM 373 OD1 ASP A 26 1.231 -4.853 -10.970 1.00 2.35 O ATOM 374 OD2 ASP A 26 3.002 -4.356 -12.218 1.00 2.52 O ATOM 0 H ASP A 26 2.324 -0.880 -8.638 1.00 0.57 H new ATOM 0 HA ASP A 26 0.476 -2.662 -10.161 1.00 0.59 H new ATOM 0 HB2 ASP A 26 2.988 -2.168 -10.919 1.00 0.79 H new ATOM 0 HB3 ASP A 26 3.364 -3.297 -9.633 1.00 0.79 H new ATOM 379 N HIS A 27 -0.174 -3.114 -7.715 1.00 0.67 N ATOM 380 CA HIS A 27 -0.587 -3.583 -6.377 1.00 0.66 C ATOM 381 C HIS A 27 -0.388 -5.075 -6.199 1.00 0.54 C ATOM 382 O HIS A 27 0.295 -5.522 -5.280 1.00 0.51 O ATOM 383 CB HIS A 27 -2.049 -3.227 -6.045 1.00 0.89 C ATOM 384 CG HIS A 27 -3.101 -3.553 -7.087 1.00 1.84 C ATOM 385 ND1 HIS A 27 -4.138 -4.453 -6.939 1.00 2.83 N ATOM 386 CD2 HIS A 27 -3.251 -2.961 -8.316 1.00 3.00 C ATOM 387 CE1 HIS A 27 -4.874 -4.424 -8.063 1.00 3.63 C ATOM 388 NE2 HIS A 27 -4.365 -3.536 -8.928 1.00 3.78 N ATOM 0 H HIS A 27 -0.917 -2.615 -8.204 1.00 0.67 H new ATOM 0 HA HIS A 27 0.065 -3.054 -5.682 1.00 0.66 H new ATOM 0 HB2 HIS A 27 -2.319 -3.740 -5.122 1.00 0.89 H new ATOM 0 HB3 HIS A 27 -2.097 -2.157 -5.841 1.00 0.89 H new ATOM 0 HD2 HIS A 27 -2.621 -2.190 -8.734 1.00 3.00 H new ATOM 0 HE1 HIS A 27 -5.750 -5.029 -8.243 1.00 3.63 H new ATOM 0 HE2 HIS A 27 -4.724 -3.321 -9.858 1.00 3.78 H new ATOM 396 N LYS A 28 -0.991 -5.834 -7.106 1.00 0.57 N ATOM 397 CA LYS A 28 -0.885 -7.266 -7.268 1.00 0.60 C ATOM 398 C LYS A 28 0.572 -7.727 -7.216 1.00 0.48 C ATOM 399 O LYS A 28 0.907 -8.622 -6.443 1.00 0.53 O ATOM 400 CB LYS A 28 -1.536 -7.536 -8.626 1.00 0.75 C ATOM 401 CG LYS A 28 -2.365 -8.792 -8.581 1.00 2.28 C ATOM 402 CD LYS A 28 -1.578 -10.101 -8.614 1.00 4.63 C ATOM 403 CE LYS A 28 -0.930 -10.276 -9.990 1.00 5.36 C ATOM 404 NZ LYS A 28 -0.647 -11.705 -10.257 1.00 7.42 N ATOM 0 H LYS A 28 -1.616 -5.424 -7.800 1.00 0.57 H new ATOM 0 HA LYS A 28 -1.375 -7.820 -6.467 1.00 0.60 H new ATOM 0 HB2 LYS A 28 -2.164 -6.691 -8.908 1.00 0.75 H new ATOM 0 HB3 LYS A 28 -0.766 -7.631 -9.391 1.00 0.75 H new ATOM 0 HG2 LYS A 28 -2.970 -8.775 -7.675 1.00 2.28 H new ATOM 0 HG3 LYS A 28 -3.055 -8.782 -9.425 1.00 2.28 H new ATOM 0 HD2 LYS A 28 -0.812 -10.096 -7.838 1.00 4.63 H new ATOM 0 HD3 LYS A 28 -2.240 -10.941 -8.403 1.00 4.63 H new ATOM 0 HE2 LYS A 28 -1.591 -9.881 -10.762 1.00 5.36 H new ATOM 0 HE3 LYS A 28 -0.005 -9.702 -10.038 1.00 5.36 H new ATOM 0 HZ1 LYS A 28 0.121 -11.782 -10.954 1.00 7.42 H new ATOM 0 HZ2 LYS A 28 -0.361 -12.173 -9.374 1.00 7.42 H new ATOM 0 HZ3 LYS A 28 -1.502 -12.164 -10.631 1.00 7.42 H new ATOM 418 N LYS A 29 1.430 -7.115 -8.043 1.00 0.47 N ATOM 419 CA LYS A 29 2.838 -7.467 -8.178 1.00 0.46 C ATOM 420 C LYS A 29 3.620 -7.119 -6.910 1.00 0.41 C ATOM 421 O LYS A 29 4.276 -8.002 -6.365 1.00 0.48 O ATOM 422 CB LYS A 29 3.375 -6.765 -9.430 1.00 0.61 C ATOM 423 CG LYS A 29 4.398 -7.570 -10.231 1.00 0.71 C ATOM 424 CD LYS A 29 4.572 -6.884 -11.593 1.00 1.28 C ATOM 425 CE LYS A 29 5.351 -7.732 -12.586 1.00 1.70 C ATOM 426 NZ LYS A 29 6.800 -7.747 -12.285 1.00 2.77 N ATOM 0 H LYS A 29 1.151 -6.343 -8.649 1.00 0.47 H new ATOM 0 HA LYS A 29 2.959 -8.543 -8.299 1.00 0.46 H new ATOM 0 HB2 LYS A 29 2.535 -6.522 -10.081 1.00 0.61 H new ATOM 0 HB3 LYS A 29 3.830 -5.821 -9.132 1.00 0.61 H new ATOM 0 HG2 LYS A 29 5.349 -7.614 -9.701 1.00 0.71 H new ATOM 0 HG3 LYS A 29 4.058 -8.597 -10.361 1.00 0.71 H new ATOM 0 HD2 LYS A 29 3.590 -6.657 -12.008 1.00 1.28 H new ATOM 0 HD3 LYS A 29 5.086 -5.933 -11.453 1.00 1.28 H new ATOM 0 HE2 LYS A 29 4.967 -8.752 -12.571 1.00 1.70 H new ATOM 0 HE3 LYS A 29 5.194 -7.347 -13.593 1.00 1.70 H new ATOM 0 HZ1 LYS A 29 7.294 -8.336 -12.985 1.00 2.77 H new ATOM 0 HZ2 LYS A 29 7.173 -6.777 -12.324 1.00 2.77 H new ATOM 0 HZ3 LYS A 29 6.953 -8.139 -11.334 1.00 2.77 H new ATOM 440 N PHE A 30 3.463 -5.895 -6.388 1.00 0.40 N ATOM 441 CA PHE A 30 3.957 -5.461 -5.078 1.00 0.40 C ATOM 442 C PHE A 30 3.589 -6.466 -3.985 1.00 0.38 C ATOM 443 O PHE A 30 4.486 -6.982 -3.331 1.00 0.41 O ATOM 444 CB PHE A 30 3.421 -4.057 -4.753 1.00 0.44 C ATOM 445 CG PHE A 30 3.734 -3.578 -3.345 1.00 0.53 C ATOM 446 CD1 PHE A 30 2.888 -3.911 -2.267 1.00 1.98 C ATOM 447 CD2 PHE A 30 4.849 -2.757 -3.113 1.00 1.47 C ATOM 448 CE1 PHE A 30 3.186 -3.469 -0.968 1.00 2.22 C ATOM 449 CE2 PHE A 30 5.129 -2.280 -1.818 1.00 1.39 C ATOM 450 CZ PHE A 30 4.316 -2.669 -0.742 1.00 1.05 C ATOM 0 H PHE A 30 2.970 -5.154 -6.886 1.00 0.40 H new ATOM 0 HA PHE A 30 5.045 -5.414 -5.116 1.00 0.40 H new ATOM 0 HB2 PHE A 30 3.839 -3.347 -5.467 1.00 0.44 H new ATOM 0 HB3 PHE A 30 2.340 -4.052 -4.894 1.00 0.44 H new ATOM 0 HD1 PHE A 30 2.006 -4.509 -2.442 1.00 1.98 H new ATOM 0 HD2 PHE A 30 5.497 -2.489 -3.934 1.00 1.47 H new ATOM 0 HE1 PHE A 30 2.546 -3.745 -0.143 1.00 2.22 H new ATOM 0 HE2 PHE A 30 5.966 -1.618 -1.653 1.00 1.39 H new ATOM 0 HZ PHE A 30 4.561 -2.352 0.261 1.00 1.05 H new ATOM 460 N PHE A 31 2.299 -6.792 -3.808 1.00 0.40 N ATOM 461 CA PHE A 31 1.822 -7.711 -2.767 1.00 0.40 C ATOM 462 C PHE A 31 2.420 -9.122 -2.870 1.00 0.35 C ATOM 463 O PHE A 31 2.513 -9.809 -1.855 1.00 0.43 O ATOM 464 CB PHE A 31 0.289 -7.786 -2.768 1.00 0.50 C ATOM 465 CG PHE A 31 -0.393 -6.924 -1.716 1.00 0.59 C ATOM 466 CD1 PHE A 31 -0.516 -5.532 -1.884 1.00 1.74 C ATOM 467 CD2 PHE A 31 -0.975 -7.532 -0.588 1.00 1.75 C ATOM 468 CE1 PHE A 31 -1.208 -4.759 -0.934 1.00 1.77 C ATOM 469 CE2 PHE A 31 -1.662 -6.765 0.366 1.00 1.86 C ATOM 470 CZ PHE A 31 -1.781 -5.377 0.192 1.00 0.91 C ATOM 0 H PHE A 31 1.550 -6.419 -4.392 1.00 0.40 H new ATOM 0 HA PHE A 31 2.169 -7.295 -1.821 1.00 0.40 H new ATOM 0 HB2 PHE A 31 -0.075 -7.489 -3.752 1.00 0.50 H new ATOM 0 HB3 PHE A 31 -0.010 -8.823 -2.617 1.00 0.50 H new ATOM 0 HD1 PHE A 31 -0.077 -5.055 -2.747 1.00 1.74 H new ATOM 0 HD2 PHE A 31 -0.892 -8.601 -0.455 1.00 1.75 H new ATOM 0 HE1 PHE A 31 -1.299 -3.691 -1.069 1.00 1.77 H new ATOM 0 HE2 PHE A 31 -2.098 -7.241 1.232 1.00 1.86 H new ATOM 0 HZ PHE A 31 -2.312 -4.784 0.922 1.00 0.91 H new ATOM 480 N GLN A 32 2.842 -9.552 -4.063 1.00 0.32 N ATOM 481 CA GLN A 32 3.592 -10.793 -4.264 1.00 0.33 C ATOM 482 C GLN A 32 5.093 -10.596 -3.976 1.00 0.29 C ATOM 483 O GLN A 32 5.680 -11.398 -3.257 1.00 0.33 O ATOM 484 CB GLN A 32 3.391 -11.284 -5.707 1.00 0.49 C ATOM 485 CG GLN A 32 1.930 -11.667 -6.032 1.00 0.49 C ATOM 486 CD GLN A 32 1.610 -11.761 -7.528 1.00 1.12 C ATOM 487 OE1 GLN A 32 0.638 -12.391 -7.931 1.00 2.09 O ATOM 488 NE2 GLN A 32 2.357 -11.118 -8.411 1.00 2.50 N ATOM 0 H GLN A 32 2.669 -9.040 -4.928 1.00 0.32 H new ATOM 0 HA GLN A 32 3.215 -11.540 -3.565 1.00 0.33 H new ATOM 0 HB2 GLN A 32 3.715 -10.504 -6.396 1.00 0.49 H new ATOM 0 HB3 GLN A 32 4.032 -12.149 -5.880 1.00 0.49 H new ATOM 0 HG2 GLN A 32 1.708 -12.627 -5.566 1.00 0.49 H new ATOM 0 HG3 GLN A 32 1.266 -10.931 -5.578 1.00 0.49 H new ATOM 0 HE21 GLN A 32 3.171 -10.587 -8.100 1.00 2.50 H new ATOM 0 HE22 GLN A 32 2.119 -11.153 -9.402 1.00 2.50 H new ATOM 497 N MET A 33 5.717 -9.533 -4.506 1.00 0.29 N ATOM 498 CA MET A 33 7.152 -9.222 -4.363 1.00 0.32 C ATOM 499 C MET A 33 7.553 -8.886 -2.917 1.00 0.34 C ATOM 500 O MET A 33 8.619 -9.300 -2.473 1.00 0.44 O ATOM 501 CB MET A 33 7.522 -8.061 -5.306 1.00 0.40 C ATOM 502 CG MET A 33 7.442 -8.478 -6.781 1.00 0.59 C ATOM 503 SD MET A 33 7.501 -7.106 -7.967 1.00 1.77 S ATOM 504 CE MET A 33 9.241 -7.148 -8.459 1.00 1.54 C ATOM 0 H MET A 33 5.221 -8.840 -5.066 1.00 0.29 H new ATOM 0 HA MET A 33 7.708 -10.119 -4.636 1.00 0.32 H new ATOM 0 HB2 MET A 33 6.851 -7.221 -5.129 1.00 0.40 H new ATOM 0 HB3 MET A 33 8.531 -7.716 -5.080 1.00 0.40 H new ATOM 0 HG2 MET A 33 8.264 -9.160 -6.996 1.00 0.59 H new ATOM 0 HG3 MET A 33 6.518 -9.034 -6.937 1.00 0.59 H new ATOM 0 HE1 MET A 33 9.432 -6.360 -9.188 1.00 1.54 H new ATOM 0 HE2 MET A 33 9.871 -6.993 -7.583 1.00 1.54 H new ATOM 0 HE3 MET A 33 9.470 -8.117 -8.903 1.00 1.54 H new ATOM 514 N VAL A 34 6.681 -8.192 -2.177 1.00 0.31 N ATOM 515 CA VAL A 34 6.745 -7.977 -0.722 1.00 0.32 C ATOM 516 C VAL A 34 6.309 -9.227 0.072 1.00 0.33 C ATOM 517 O VAL A 34 6.420 -9.264 1.295 1.00 0.42 O ATOM 518 CB VAL A 34 5.850 -6.777 -0.352 1.00 0.38 C ATOM 519 CG1 VAL A 34 4.392 -7.150 -0.168 1.00 0.44 C ATOM 520 CG2 VAL A 34 6.336 -6.044 0.904 1.00 0.40 C ATOM 0 H VAL A 34 5.868 -7.740 -2.596 1.00 0.31 H new ATOM 0 HA VAL A 34 7.782 -7.774 -0.454 1.00 0.32 H new ATOM 0 HB VAL A 34 5.929 -6.109 -1.209 1.00 0.38 H new ATOM 0 HG11 VAL A 34 3.819 -6.260 0.091 1.00 0.44 H new ATOM 0 HG12 VAL A 34 4.005 -7.574 -1.095 1.00 0.44 H new ATOM 0 HG13 VAL A 34 4.303 -7.885 0.632 1.00 0.44 H new ATOM 0 HG21 VAL A 34 5.670 -5.209 1.118 1.00 0.40 H new ATOM 0 HG22 VAL A 34 6.338 -6.732 1.749 1.00 0.40 H new ATOM 0 HG23 VAL A 34 7.346 -5.669 0.739 1.00 0.40 H new ATOM 530 N GLY A 35 5.751 -10.235 -0.611 1.00 0.32 N ATOM 531 CA GLY A 35 5.185 -11.442 -0.023 1.00 0.40 C ATOM 532 C GLY A 35 4.012 -11.212 0.933 1.00 0.38 C ATOM 533 O GLY A 35 3.767 -12.072 1.764 1.00 0.42 O ATOM 0 H GLY A 35 5.682 -10.225 -1.629 1.00 0.32 H new ATOM 0 HA2 GLY A 35 4.854 -12.098 -0.828 1.00 0.40 H new ATOM 0 HA3 GLY A 35 5.973 -11.969 0.514 1.00 0.40 H new ATOM 537 N LEU A 36 3.272 -10.101 0.845 1.00 0.37 N ATOM 538 CA LEU A 36 2.215 -9.719 1.792 1.00 0.36 C ATOM 539 C LEU A 36 1.181 -10.827 1.988 1.00 0.35 C ATOM 540 O LEU A 36 0.995 -11.336 3.087 1.00 0.36 O ATOM 541 CB LEU A 36 1.522 -8.421 1.327 1.00 0.41 C ATOM 542 CG LEU A 36 1.928 -7.217 2.173 1.00 0.56 C ATOM 543 CD1 LEU A 36 1.493 -5.877 1.577 1.00 0.55 C ATOM 544 CD2 LEU A 36 1.315 -7.358 3.552 1.00 0.84 C ATOM 0 H LEU A 36 3.394 -9.423 0.093 1.00 0.37 H new ATOM 0 HA LEU A 36 2.694 -9.549 2.756 1.00 0.36 H new ATOM 0 HB2 LEU A 36 1.773 -8.231 0.283 1.00 0.41 H new ATOM 0 HB3 LEU A 36 0.441 -8.550 1.377 1.00 0.41 H new ATOM 0 HG LEU A 36 3.017 -7.210 2.212 1.00 0.56 H new ATOM 0 HD11 LEU A 36 1.815 -5.066 2.231 1.00 0.55 H new ATOM 0 HD12 LEU A 36 1.946 -5.752 0.594 1.00 0.55 H new ATOM 0 HD13 LEU A 36 0.407 -5.857 1.481 1.00 0.55 H new ATOM 0 HD21 LEU A 36 1.599 -6.503 4.165 1.00 0.84 H new ATOM 0 HD22 LEU A 36 0.229 -7.398 3.465 1.00 0.84 H new ATOM 0 HD23 LEU A 36 1.676 -8.275 4.019 1.00 0.84 H new ATOM 556 N LYS A 37 0.573 -11.235 0.876 1.00 0.38 N ATOM 557 CA LYS A 37 -0.305 -12.418 0.741 1.00 0.43 C ATOM 558 C LYS A 37 0.293 -13.739 1.296 1.00 0.40 C ATOM 559 O LYS A 37 -0.471 -14.677 1.503 1.00 0.44 O ATOM 560 CB LYS A 37 -0.713 -12.631 -0.733 1.00 0.58 C ATOM 561 CG LYS A 37 -1.714 -11.593 -1.273 1.00 0.54 C ATOM 562 CD LYS A 37 -2.326 -12.008 -2.620 1.00 0.58 C ATOM 563 CE LYS A 37 -1.287 -12.059 -3.747 1.00 0.56 C ATOM 564 NZ LYS A 37 -1.914 -12.391 -5.049 1.00 1.13 N ATOM 0 H LYS A 37 0.678 -10.731 -0.005 1.00 0.38 H new ATOM 0 HA LYS A 37 -1.175 -12.188 1.357 1.00 0.43 H new ATOM 0 HB2 LYS A 37 0.184 -12.609 -1.352 1.00 0.58 H new ATOM 0 HB3 LYS A 37 -1.148 -13.625 -0.837 1.00 0.58 H new ATOM 0 HG2 LYS A 37 -2.512 -11.450 -0.544 1.00 0.54 H new ATOM 0 HG3 LYS A 37 -1.210 -10.633 -1.387 1.00 0.54 H new ATOM 0 HD2 LYS A 37 -2.793 -12.987 -2.517 1.00 0.58 H new ATOM 0 HD3 LYS A 37 -3.115 -11.305 -2.889 1.00 0.58 H new ATOM 0 HE2 LYS A 37 -0.781 -11.096 -3.821 1.00 0.56 H new ATOM 0 HE3 LYS A 37 -0.526 -12.802 -3.508 1.00 0.56 H new ATOM 0 HZ1 LYS A 37 -1.174 -12.633 -5.739 1.00 1.13 H new ATOM 0 HZ2 LYS A 37 -2.555 -13.201 -4.929 1.00 1.13 H new ATOM 0 HZ3 LYS A 37 -2.453 -11.571 -5.394 1.00 1.13 H new ATOM 578 N LYS A 38 1.615 -13.843 1.533 1.00 0.38 N ATOM 579 CA LYS A 38 2.288 -14.996 2.176 1.00 0.41 C ATOM 580 C LYS A 38 2.342 -14.872 3.709 1.00 0.36 C ATOM 581 O LYS A 38 2.622 -15.856 4.390 1.00 0.44 O ATOM 582 CB LYS A 38 3.688 -15.233 1.540 1.00 0.52 C ATOM 583 CG LYS A 38 4.932 -14.908 2.404 1.00 1.33 C ATOM 584 CD LYS A 38 6.244 -14.921 1.592 1.00 1.35 C ATOM 585 CE LYS A 38 7.249 -13.896 2.144 1.00 1.99 C ATOM 586 NZ LYS A 38 8.510 -13.860 1.362 1.00 2.69 N ATOM 0 H LYS A 38 2.269 -13.104 1.275 1.00 0.38 H new ATOM 0 HA LYS A 38 1.684 -15.883 1.983 1.00 0.41 H new ATOM 0 HB2 LYS A 38 3.749 -16.280 1.243 1.00 0.52 H new ATOM 0 HB3 LYS A 38 3.748 -14.639 0.628 1.00 0.52 H new ATOM 0 HG2 LYS A 38 4.804 -13.928 2.863 1.00 1.33 H new ATOM 0 HG3 LYS A 38 5.005 -15.633 3.215 1.00 1.33 H new ATOM 0 HD2 LYS A 38 6.684 -15.918 1.622 1.00 1.35 H new ATOM 0 HD3 LYS A 38 6.030 -14.698 0.547 1.00 1.35 H new ATOM 0 HE2 LYS A 38 6.793 -12.906 2.139 1.00 1.99 H new ATOM 0 HE3 LYS A 38 7.476 -14.137 3.183 1.00 1.99 H new ATOM 0 HZ1 LYS A 38 9.119 -13.097 1.720 1.00 2.69 H new ATOM 0 HZ2 LYS A 38 9.004 -14.770 1.457 1.00 2.69 H new ATOM 0 HZ3 LYS A 38 8.292 -13.687 0.360 1.00 2.69 H new ATOM 600 N LYS A 39 2.089 -13.676 4.253 1.00 0.35 N ATOM 601 CA LYS A 39 2.005 -13.394 5.687 1.00 0.36 C ATOM 602 C LYS A 39 0.589 -13.673 6.206 1.00 0.39 C ATOM 603 O LYS A 39 -0.361 -13.823 5.438 1.00 0.41 O ATOM 604 CB LYS A 39 2.363 -11.921 5.961 1.00 0.50 C ATOM 605 CG LYS A 39 3.601 -11.358 5.241 1.00 1.25 C ATOM 606 CD LYS A 39 4.930 -11.494 5.982 1.00 1.08 C ATOM 607 CE LYS A 39 5.408 -12.893 6.366 1.00 1.39 C ATOM 608 NZ LYS A 39 5.840 -12.890 7.784 1.00 2.25 N ATOM 0 H LYS A 39 1.931 -12.846 3.681 1.00 0.35 H new ATOM 0 HA LYS A 39 2.712 -14.043 6.204 1.00 0.36 H new ATOM 0 HB2 LYS A 39 1.504 -11.307 5.689 1.00 0.50 H new ATOM 0 HB3 LYS A 39 2.512 -11.802 7.034 1.00 0.50 H new ATOM 0 HG2 LYS A 39 3.693 -11.857 4.277 1.00 1.25 H new ATOM 0 HG3 LYS A 39 3.428 -10.301 5.038 1.00 1.25 H new ATOM 0 HD2 LYS A 39 5.703 -11.037 5.364 1.00 1.08 H new ATOM 0 HD3 LYS A 39 4.862 -10.904 6.896 1.00 1.08 H new ATOM 0 HE2 LYS A 39 4.606 -13.617 6.219 1.00 1.39 H new ATOM 0 HE3 LYS A 39 6.234 -13.197 5.723 1.00 1.39 H new ATOM 0 HZ1 LYS A 39 6.351 -13.771 7.993 1.00 2.25 H new ATOM 0 HZ2 LYS A 39 6.467 -12.078 7.954 1.00 2.25 H new ATOM 0 HZ3 LYS A 39 5.006 -12.819 8.401 1.00 2.25 H new ATOM 622 N SER A 40 0.450 -13.717 7.530 1.00 0.41 N ATOM 623 CA SER A 40 -0.824 -13.962 8.207 1.00 0.43 C ATOM 624 C SER A 40 -1.791 -12.778 8.076 1.00 0.43 C ATOM 625 O SER A 40 -1.377 -11.627 7.952 1.00 0.46 O ATOM 626 CB SER A 40 -0.553 -14.229 9.692 1.00 0.44 C ATOM 627 OG SER A 40 0.375 -15.286 9.830 1.00 1.76 O ATOM 0 H SER A 40 1.230 -13.582 8.173 1.00 0.41 H new ATOM 0 HA SER A 40 -1.294 -14.824 7.733 1.00 0.43 H new ATOM 0 HB2 SER A 40 -0.165 -13.328 10.167 1.00 0.44 H new ATOM 0 HB3 SER A 40 -1.483 -14.482 10.201 1.00 0.44 H new ATOM 0 HG SER A 40 0.545 -15.450 10.781 1.00 1.76 H new ATOM 633 N ALA A 41 -3.095 -13.032 8.232 1.00 0.46 N ATOM 634 CA ALA A 41 -4.106 -11.973 8.303 1.00 0.47 C ATOM 635 C ALA A 41 -3.832 -10.963 9.430 1.00 0.46 C ATOM 636 O ALA A 41 -4.005 -9.760 9.250 1.00 0.46 O ATOM 637 CB ALA A 41 -5.469 -12.622 8.519 1.00 0.54 C ATOM 0 H ALA A 41 -3.478 -13.974 8.312 1.00 0.46 H new ATOM 0 HA ALA A 41 -4.077 -11.416 7.367 1.00 0.47 H new ATOM 0 HB1 ALA A 41 -6.235 -11.849 8.575 1.00 0.54 H new ATOM 0 HB2 ALA A 41 -5.689 -13.292 7.688 1.00 0.54 H new ATOM 0 HB3 ALA A 41 -5.458 -13.190 9.449 1.00 0.54 H new ATOM 643 N ASP A 42 -3.369 -11.434 10.594 1.00 0.50 N ATOM 644 CA ASP A 42 -3.012 -10.522 11.677 1.00 0.50 C ATOM 645 C ASP A 42 -1.789 -9.651 11.333 1.00 0.43 C ATOM 646 O ASP A 42 -1.718 -8.502 11.765 1.00 0.51 O ATOM 647 CB ASP A 42 -2.787 -11.301 12.975 1.00 0.64 C ATOM 648 CG ASP A 42 -2.539 -10.322 14.121 1.00 1.98 C ATOM 649 OD1 ASP A 42 -3.421 -9.470 14.390 1.00 2.84 O ATOM 650 OD2 ASP A 42 -1.424 -10.332 14.690 1.00 3.33 O ATOM 0 H ASP A 42 -3.236 -12.423 10.804 1.00 0.50 H new ATOM 0 HA ASP A 42 -3.850 -9.839 11.818 1.00 0.50 H new ATOM 0 HB2 ASP A 42 -3.656 -11.921 13.194 1.00 0.64 H new ATOM 0 HB3 ASP A 42 -1.935 -11.972 12.866 1.00 0.64 H new ATOM 655 N ASP A 43 -0.869 -10.152 10.498 1.00 0.43 N ATOM 656 CA ASP A 43 0.238 -9.365 9.944 1.00 0.39 C ATOM 657 C ASP A 43 -0.358 -8.229 9.100 1.00 0.40 C ATOM 658 O ASP A 43 -0.146 -7.056 9.396 1.00 0.45 O ATOM 659 CB ASP A 43 1.176 -10.287 9.134 1.00 0.38 C ATOM 660 CG ASP A 43 2.586 -9.738 8.920 1.00 0.84 C ATOM 661 OD1 ASP A 43 2.706 -8.533 8.622 1.00 2.05 O ATOM 662 OD2 ASP A 43 3.529 -10.561 9.012 1.00 1.92 O ATOM 0 H ASP A 43 -0.873 -11.123 10.186 1.00 0.43 H new ATOM 0 HA ASP A 43 0.844 -8.919 10.732 1.00 0.39 H new ATOM 0 HB2 ASP A 43 1.249 -11.247 9.645 1.00 0.38 H new ATOM 0 HB3 ASP A 43 0.724 -10.477 8.161 1.00 0.38 H new ATOM 667 N VAL A 44 -1.221 -8.581 8.136 1.00 0.41 N ATOM 668 CA VAL A 44 -1.973 -7.673 7.264 1.00 0.47 C ATOM 669 C VAL A 44 -2.663 -6.512 8.001 1.00 0.43 C ATOM 670 O VAL A 44 -2.626 -5.380 7.513 1.00 0.44 O ATOM 671 CB VAL A 44 -2.914 -8.509 6.366 1.00 0.55 C ATOM 672 CG1 VAL A 44 -4.403 -8.172 6.486 1.00 1.24 C ATOM 673 CG2 VAL A 44 -2.445 -8.376 4.915 1.00 0.82 C ATOM 0 H VAL A 44 -1.423 -9.560 7.935 1.00 0.41 H new ATOM 0 HA VAL A 44 -1.266 -7.146 6.623 1.00 0.47 H new ATOM 0 HB VAL A 44 -2.844 -9.539 6.717 1.00 0.55 H new ATOM 0 HG11 VAL A 44 -4.976 -8.813 5.816 1.00 1.24 H new ATOM 0 HG12 VAL A 44 -4.731 -8.334 7.513 1.00 1.24 H new ATOM 0 HG13 VAL A 44 -4.563 -7.129 6.214 1.00 1.24 H new ATOM 0 HG21 VAL A 44 -3.098 -8.960 4.267 1.00 0.82 H new ATOM 0 HG22 VAL A 44 -2.479 -7.328 4.616 1.00 0.82 H new ATOM 0 HG23 VAL A 44 -1.423 -8.745 4.828 1.00 0.82 H new ATOM 683 N LYS A 45 -3.215 -6.747 9.201 1.00 0.43 N ATOM 684 CA LYS A 45 -3.703 -5.689 10.102 1.00 0.43 C ATOM 685 C LYS A 45 -2.632 -4.629 10.370 1.00 0.40 C ATOM 686 O LYS A 45 -2.833 -3.445 10.094 1.00 0.56 O ATOM 687 CB LYS A 45 -4.266 -6.301 11.397 1.00 0.52 C ATOM 688 CG LYS A 45 -5.792 -6.164 11.407 1.00 1.15 C ATOM 689 CD LYS A 45 -6.394 -6.940 12.588 1.00 1.54 C ATOM 690 CE LYS A 45 -7.916 -6.765 12.664 1.00 1.91 C ATOM 691 NZ LYS A 45 -8.308 -5.681 13.598 1.00 2.79 N ATOM 0 H LYS A 45 -3.337 -7.687 9.578 1.00 0.43 H new ATOM 0 HA LYS A 45 -4.521 -5.168 9.604 1.00 0.43 H new ATOM 0 HB2 LYS A 45 -3.984 -7.352 11.467 1.00 0.52 H new ATOM 0 HB3 LYS A 45 -3.840 -5.798 12.265 1.00 0.52 H new ATOM 0 HG2 LYS A 45 -6.068 -5.112 11.477 1.00 1.15 H new ATOM 0 HG3 LYS A 45 -6.203 -6.540 10.470 1.00 1.15 H new ATOM 0 HD2 LYS A 45 -6.154 -7.999 12.488 1.00 1.54 H new ATOM 0 HD3 LYS A 45 -5.941 -6.596 13.518 1.00 1.54 H new ATOM 0 HE2 LYS A 45 -8.305 -6.545 11.670 1.00 1.91 H new ATOM 0 HE3 LYS A 45 -8.372 -7.702 12.984 1.00 1.91 H new ATOM 0 HZ1 LYS A 45 -9.344 -5.598 13.618 1.00 2.79 H new ATOM 0 HZ2 LYS A 45 -7.960 -5.903 14.553 1.00 2.79 H new ATOM 0 HZ3 LYS A 45 -7.895 -4.782 13.279 1.00 2.79 H new ATOM 705 N LYS A 46 -1.481 -5.074 10.877 1.00 0.37 N ATOM 706 CA LYS A 46 -0.319 -4.243 11.196 1.00 0.36 C ATOM 707 C LYS A 46 0.384 -3.665 9.957 1.00 0.39 C ATOM 708 O LYS A 46 1.000 -2.606 10.077 1.00 0.49 O ATOM 709 CB LYS A 46 0.653 -5.053 12.066 1.00 0.48 C ATOM 710 CG LYS A 46 0.172 -5.235 13.520 1.00 0.92 C ATOM 711 CD LYS A 46 -0.699 -6.474 13.767 1.00 1.46 C ATOM 712 CE LYS A 46 -1.010 -6.598 15.261 1.00 1.79 C ATOM 713 NZ LYS A 46 -1.682 -7.875 15.593 1.00 2.25 N ATOM 0 H LYS A 46 -1.327 -6.061 11.085 1.00 0.37 H new ATOM 0 HA LYS A 46 -0.677 -3.374 11.748 1.00 0.36 H new ATOM 0 HB2 LYS A 46 0.800 -6.034 11.615 1.00 0.48 H new ATOM 0 HB3 LYS A 46 1.623 -4.556 12.072 1.00 0.48 H new ATOM 0 HG2 LYS A 46 1.045 -5.288 14.171 1.00 0.92 H new ATOM 0 HG3 LYS A 46 -0.392 -4.349 13.813 1.00 0.92 H new ATOM 0 HD2 LYS A 46 -1.626 -6.398 13.198 1.00 1.46 H new ATOM 0 HD3 LYS A 46 -0.183 -7.368 13.418 1.00 1.46 H new ATOM 0 HE2 LYS A 46 -0.084 -6.519 15.830 1.00 1.79 H new ATOM 0 HE3 LYS A 46 -1.644 -5.766 15.568 1.00 1.79 H new ATOM 0 HZ1 LYS A 46 -1.872 -7.912 16.615 1.00 2.25 H new ATOM 0 HZ2 LYS A 46 -2.579 -7.941 15.072 1.00 2.25 H new ATOM 0 HZ3 LYS A 46 -1.067 -8.670 15.326 1.00 2.25 H new ATOM 727 N VAL A 47 0.254 -4.306 8.787 1.00 0.36 N ATOM 728 CA VAL A 47 0.670 -3.784 7.473 1.00 0.37 C ATOM 729 C VAL A 47 -0.065 -2.476 7.180 1.00 0.34 C ATOM 730 O VAL A 47 0.580 -1.430 7.171 1.00 0.39 O ATOM 731 CB VAL A 47 0.468 -4.826 6.352 1.00 0.44 C ATOM 732 CG1 VAL A 47 0.771 -4.285 4.944 1.00 0.48 C ATOM 733 CG2 VAL A 47 1.319 -6.081 6.610 1.00 0.57 C ATOM 0 H VAL A 47 -0.159 -5.237 8.725 1.00 0.36 H new ATOM 0 HA VAL A 47 1.740 -3.576 7.504 1.00 0.37 H new ATOM 0 HB VAL A 47 -0.592 -5.079 6.378 1.00 0.44 H new ATOM 0 HG11 VAL A 47 0.607 -5.073 4.209 1.00 0.48 H new ATOM 0 HG12 VAL A 47 0.112 -3.444 4.728 1.00 0.48 H new ATOM 0 HG13 VAL A 47 1.809 -3.955 4.897 1.00 0.48 H new ATOM 0 HG21 VAL A 47 1.159 -6.800 5.807 1.00 0.57 H new ATOM 0 HG22 VAL A 47 2.373 -5.805 6.646 1.00 0.57 H new ATOM 0 HG23 VAL A 47 1.029 -6.528 7.561 1.00 0.57 H new ATOM 743 N PHE A 48 -1.393 -2.494 6.982 1.00 0.32 N ATOM 744 CA PHE A 48 -2.188 -1.300 6.715 1.00 0.34 C ATOM 745 C PHE A 48 -1.933 -0.139 7.695 1.00 0.34 C ATOM 746 O PHE A 48 -1.828 1.012 7.263 1.00 0.38 O ATOM 747 CB PHE A 48 -3.644 -1.746 6.732 1.00 0.43 C ATOM 748 CG PHE A 48 -4.619 -0.608 6.618 1.00 0.48 C ATOM 749 CD1 PHE A 48 -4.925 -0.073 5.356 1.00 1.86 C ATOM 750 CD2 PHE A 48 -5.196 -0.073 7.785 1.00 1.56 C ATOM 751 CE1 PHE A 48 -5.814 1.005 5.267 1.00 1.98 C ATOM 752 CE2 PHE A 48 -6.075 1.013 7.693 1.00 1.55 C ATOM 753 CZ PHE A 48 -6.383 1.544 6.431 1.00 0.81 C ATOM 0 H PHE A 48 -1.945 -3.352 7.005 1.00 0.32 H new ATOM 0 HA PHE A 48 -1.902 -0.884 5.749 1.00 0.34 H new ATOM 0 HB2 PHE A 48 -3.812 -2.442 5.911 1.00 0.43 H new ATOM 0 HB3 PHE A 48 -3.839 -2.290 7.656 1.00 0.43 H new ATOM 0 HD1 PHE A 48 -4.480 -0.488 4.464 1.00 1.86 H new ATOM 0 HD2 PHE A 48 -4.961 -0.499 8.749 1.00 1.56 H new ATOM 0 HE1 PHE A 48 -6.062 1.422 4.302 1.00 1.98 H new ATOM 0 HE2 PHE A 48 -6.512 1.438 8.585 1.00 1.55 H new ATOM 0 HZ PHE A 48 -7.066 2.377 6.355 1.00 0.81 H new ATOM 763 N HIS A 49 -1.764 -0.424 8.995 1.00 0.36 N ATOM 764 CA HIS A 49 -1.434 0.599 9.995 1.00 0.48 C ATOM 765 C HIS A 49 -0.156 1.393 9.668 1.00 0.53 C ATOM 766 O HIS A 49 -0.025 2.526 10.119 1.00 0.77 O ATOM 767 CB HIS A 49 -1.289 -0.037 11.388 1.00 0.63 C ATOM 768 CG HIS A 49 -2.510 -0.750 11.916 1.00 1.38 C ATOM 769 ND1 HIS A 49 -3.814 -0.567 11.510 1.00 2.96 N ATOM 770 CD2 HIS A 49 -2.517 -1.689 12.913 1.00 2.66 C ATOM 771 CE1 HIS A 49 -4.581 -1.408 12.228 1.00 3.86 C ATOM 772 NE2 HIS A 49 -3.837 -2.108 13.099 1.00 3.67 N ATOM 0 H HIS A 49 -1.852 -1.365 9.380 1.00 0.36 H new ATOM 0 HA HIS A 49 -2.264 1.305 9.981 1.00 0.48 H new ATOM 0 HB2 HIS A 49 -0.462 -0.746 11.358 1.00 0.63 H new ATOM 0 HB3 HIS A 49 -1.013 0.744 12.096 1.00 0.63 H new ATOM 0 HD2 HIS A 49 -1.655 -2.043 13.459 1.00 2.66 H new ATOM 0 HE1 HIS A 49 -5.651 -1.506 12.118 1.00 3.86 H new ATOM 0 HE2 HIS A 49 -4.169 -2.806 13.764 1.00 3.67 H new ATOM 780 N MET A 50 0.789 0.842 8.896 1.00 0.44 N ATOM 781 CA MET A 50 2.010 1.550 8.505 1.00 0.55 C ATOM 782 C MET A 50 1.758 2.651 7.456 1.00 0.51 C ATOM 783 O MET A 50 2.509 3.622 7.382 1.00 0.69 O ATOM 784 CB MET A 50 3.011 0.516 7.976 1.00 0.65 C ATOM 785 CG MET A 50 4.440 1.057 7.968 1.00 0.95 C ATOM 786 SD MET A 50 5.158 1.472 9.582 1.00 1.19 S ATOM 787 CE MET A 50 4.905 -0.078 10.472 1.00 2.90 C ATOM 0 H MET A 50 0.727 -0.107 8.526 1.00 0.44 H new ATOM 0 HA MET A 50 2.408 2.062 9.381 1.00 0.55 H new ATOM 0 HB2 MET A 50 2.966 -0.381 8.593 1.00 0.65 H new ATOM 0 HB3 MET A 50 2.729 0.222 6.965 1.00 0.65 H new ATOM 0 HG2 MET A 50 5.082 0.318 7.489 1.00 0.95 H new ATOM 0 HG3 MET A 50 4.463 1.951 7.344 1.00 0.95 H new ATOM 0 HE1 MET A 50 5.517 -0.084 11.374 1.00 2.90 H new ATOM 0 HE2 MET A 50 3.854 -0.173 10.746 1.00 2.90 H new ATOM 0 HE3 MET A 50 5.190 -0.915 9.834 1.00 2.90 H new ATOM 797 N LEU A 51 0.702 2.496 6.653 1.00 0.41 N ATOM 798 CA LEU A 51 0.302 3.398 5.574 1.00 0.40 C ATOM 799 C LEU A 51 -0.585 4.531 6.119 1.00 0.42 C ATOM 800 O LEU A 51 -0.382 5.697 5.790 1.00 0.47 O ATOM 801 CB LEU A 51 -0.503 2.604 4.534 1.00 0.40 C ATOM 802 CG LEU A 51 0.238 1.558 3.681 1.00 0.72 C ATOM 803 CD1 LEU A 51 0.803 0.392 4.489 1.00 1.75 C ATOM 804 CD2 LEU A 51 -0.765 0.959 2.690 1.00 1.97 C ATOM 0 H LEU A 51 0.073 1.698 6.744 1.00 0.41 H new ATOM 0 HA LEU A 51 1.197 3.828 5.125 1.00 0.40 H new ATOM 0 HB2 LEU A 51 -1.311 2.094 5.058 1.00 0.40 H new ATOM 0 HB3 LEU A 51 -0.966 3.320 3.855 1.00 0.40 H new ATOM 0 HG LEU A 51 1.072 2.075 3.206 1.00 0.72 H new ATOM 0 HD11 LEU A 51 1.310 -0.303 3.819 1.00 1.75 H new ATOM 0 HD12 LEU A 51 1.512 0.770 5.226 1.00 1.75 H new ATOM 0 HD13 LEU A 51 -0.010 -0.124 5.000 1.00 1.75 H new ATOM 0 HD21 LEU A 51 -0.265 0.213 2.072 1.00 1.97 H new ATOM 0 HD22 LEU A 51 -1.581 0.488 3.238 1.00 1.97 H new ATOM 0 HD23 LEU A 51 -1.164 1.749 2.054 1.00 1.97 H new ATOM 816 N ASP A 52 -1.568 4.163 6.948 1.00 0.43 N ATOM 817 CA ASP A 52 -2.494 5.039 7.671 1.00 0.45 C ATOM 818 C ASP A 52 -1.746 5.848 8.750 1.00 0.47 C ATOM 819 O ASP A 52 -1.895 5.617 9.953 1.00 0.77 O ATOM 820 CB ASP A 52 -3.615 4.132 8.246 1.00 0.56 C ATOM 821 CG ASP A 52 -4.715 4.843 9.045 1.00 0.74 C ATOM 822 OD1 ASP A 52 -5.123 5.966 8.720 1.00 1.29 O ATOM 823 OD2 ASP A 52 -5.191 4.204 10.022 1.00 1.93 O ATOM 0 H ASP A 52 -1.749 3.179 7.144 1.00 0.43 H new ATOM 0 HA ASP A 52 -2.942 5.786 7.016 1.00 0.45 H new ATOM 0 HB2 ASP A 52 -4.083 3.598 7.419 1.00 0.56 H new ATOM 0 HB3 ASP A 52 -3.154 3.382 8.889 1.00 0.56 H new ATOM 828 N LYS A 53 -0.885 6.783 8.321 1.00 0.48 N ATOM 829 CA LYS A 53 0.009 7.552 9.204 1.00 0.63 C ATOM 830 C LYS A 53 -0.730 8.391 10.252 1.00 0.77 C ATOM 831 O LYS A 53 -0.212 8.577 11.349 1.00 1.49 O ATOM 832 CB LYS A 53 0.954 8.445 8.385 1.00 0.80 C ATOM 833 CG LYS A 53 1.922 7.654 7.481 1.00 1.23 C ATOM 834 CD LYS A 53 3.344 8.236 7.494 1.00 1.58 C ATOM 835 CE LYS A 53 3.387 9.692 7.011 1.00 2.28 C ATOM 836 NZ LYS A 53 4.704 10.310 7.290 1.00 3.24 N ATOM 0 H LYS A 53 -0.788 7.031 7.336 1.00 0.48 H new ATOM 0 HA LYS A 53 0.589 6.810 9.753 1.00 0.63 H new ATOM 0 HB2 LYS A 53 0.360 9.117 7.766 1.00 0.80 H new ATOM 0 HB3 LYS A 53 1.533 9.068 9.067 1.00 0.80 H new ATOM 0 HG2 LYS A 53 1.955 6.615 7.810 1.00 1.23 H new ATOM 0 HG3 LYS A 53 1.542 7.653 6.459 1.00 1.23 H new ATOM 0 HD2 LYS A 53 3.747 8.180 8.505 1.00 1.58 H new ATOM 0 HD3 LYS A 53 3.988 7.627 6.860 1.00 1.58 H new ATOM 0 HE2 LYS A 53 3.184 9.729 5.941 1.00 2.28 H new ATOM 0 HE3 LYS A 53 2.602 10.265 7.504 1.00 2.28 H new ATOM 0 HZ1 LYS A 53 4.704 11.294 6.953 1.00 3.24 H new ATOM 0 HZ2 LYS A 53 4.885 10.295 8.314 1.00 3.24 H new ATOM 0 HZ3 LYS A 53 5.449 9.776 6.799 1.00 3.24 H new ATOM 850 N ASP A 54 -1.941 8.856 9.936 1.00 0.66 N ATOM 851 CA ASP A 54 -2.879 9.535 10.834 1.00 0.74 C ATOM 852 C ASP A 54 -3.672 8.570 11.738 1.00 0.83 C ATOM 853 O ASP A 54 -4.421 9.029 12.597 1.00 1.15 O ATOM 854 CB ASP A 54 -3.833 10.398 9.986 1.00 0.89 C ATOM 855 CG ASP A 54 -4.663 9.578 8.993 1.00 1.18 C ATOM 856 OD1 ASP A 54 -4.142 8.671 8.313 1.00 1.85 O ATOM 857 OD2 ASP A 54 -5.892 9.764 8.846 1.00 1.90 O ATOM 0 H ASP A 54 -2.315 8.763 8.992 1.00 0.66 H new ATOM 0 HA ASP A 54 -2.298 10.158 11.514 1.00 0.74 H new ATOM 0 HB2 ASP A 54 -4.505 10.944 10.648 1.00 0.89 H new ATOM 0 HB3 ASP A 54 -3.252 11.140 9.439 1.00 0.89 H new ATOM 862 N LYS A 55 -3.493 7.248 11.576 1.00 0.75 N ATOM 863 CA LYS A 55 -4.119 6.163 12.351 1.00 0.88 C ATOM 864 C LYS A 55 -5.641 6.309 12.452 1.00 0.91 C ATOM 865 O LYS A 55 -6.242 6.149 13.512 1.00 1.39 O ATOM 866 CB LYS A 55 -3.414 6.000 13.709 1.00 1.13 C ATOM 867 CG LYS A 55 -1.924 5.655 13.572 1.00 1.56 C ATOM 868 CD LYS A 55 -1.696 4.205 13.113 1.00 1.92 C ATOM 869 CE LYS A 55 -0.300 4.016 12.528 1.00 2.21 C ATOM 870 NZ LYS A 55 0.774 4.453 13.446 1.00 2.66 N ATOM 0 H LYS A 55 -2.868 6.886 10.855 1.00 0.75 H new ATOM 0 HA LYS A 55 -3.977 5.229 11.808 1.00 0.88 H new ATOM 0 HB2 LYS A 55 -3.517 6.923 14.279 1.00 1.13 H new ATOM 0 HB3 LYS A 55 -3.912 5.216 14.279 1.00 1.13 H new ATOM 0 HG2 LYS A 55 -1.461 6.336 12.858 1.00 1.56 H new ATOM 0 HG3 LYS A 55 -1.428 5.812 14.530 1.00 1.56 H new ATOM 0 HD2 LYS A 55 -1.832 3.529 13.957 1.00 1.92 H new ATOM 0 HD3 LYS A 55 -2.444 3.937 12.367 1.00 1.92 H new ATOM 0 HE2 LYS A 55 -0.154 2.964 12.282 1.00 2.21 H new ATOM 0 HE3 LYS A 55 -0.224 4.575 11.596 1.00 2.21 H new ATOM 0 HZ1 LYS A 55 1.698 4.178 13.055 1.00 2.66 H new ATOM 0 HZ2 LYS A 55 0.738 5.487 13.555 1.00 2.66 H new ATOM 0 HZ3 LYS A 55 0.642 4.002 14.374 1.00 2.66 H new ATOM 884 N SER A 56 -6.257 6.604 11.309 1.00 0.65 N ATOM 885 CA SER A 56 -7.683 6.850 11.139 1.00 0.76 C ATOM 886 C SER A 56 -8.503 5.575 10.895 1.00 0.61 C ATOM 887 O SER A 56 -9.728 5.673 10.835 1.00 0.96 O ATOM 888 CB SER A 56 -7.817 7.821 9.964 1.00 1.12 C ATOM 889 OG SER A 56 -9.032 7.729 9.263 1.00 1.05 O ATOM 0 H SER A 56 -5.745 6.681 10.430 1.00 0.65 H new ATOM 0 HA SER A 56 -8.090 7.265 12.061 1.00 0.76 H new ATOM 0 HB2 SER A 56 -7.704 8.839 10.337 1.00 1.12 H new ATOM 0 HB3 SER A 56 -6.997 7.644 9.268 1.00 1.12 H new ATOM 0 HG SER A 56 -9.700 7.283 9.824 1.00 1.05 H new ATOM 895 N GLY A 57 -7.858 4.418 10.683 1.00 0.45 N ATOM 896 CA GLY A 57 -8.486 3.167 10.256 1.00 0.55 C ATOM 897 C GLY A 57 -8.783 3.098 8.749 1.00 0.39 C ATOM 898 O GLY A 57 -9.319 2.100 8.275 1.00 0.41 O ATOM 0 H GLY A 57 -6.850 4.329 10.810 1.00 0.45 H new ATOM 0 HA2 GLY A 57 -7.835 2.335 10.526 1.00 0.55 H new ATOM 0 HA3 GLY A 57 -9.418 3.034 10.806 1.00 0.55 H new ATOM 902 N PHE A 58 -8.420 4.145 7.998 1.00 0.35 N ATOM 903 CA PHE A 58 -8.720 4.366 6.583 1.00 0.35 C ATOM 904 C PHE A 58 -7.552 5.122 5.943 1.00 0.43 C ATOM 905 O PHE A 58 -7.005 6.031 6.564 1.00 0.77 O ATOM 906 CB PHE A 58 -10.003 5.199 6.482 1.00 0.39 C ATOM 907 CG PHE A 58 -11.240 4.488 6.995 1.00 0.56 C ATOM 908 CD1 PHE A 58 -11.852 3.487 6.215 1.00 2.37 C ATOM 909 CD2 PHE A 58 -11.747 4.782 8.275 1.00 1.42 C ATOM 910 CE1 PHE A 58 -12.964 2.786 6.715 1.00 2.71 C ATOM 911 CE2 PHE A 58 -12.847 4.071 8.782 1.00 1.36 C ATOM 912 CZ PHE A 58 -13.457 3.074 8.001 1.00 1.36 C ATOM 0 H PHE A 58 -7.872 4.910 8.392 1.00 0.35 H new ATOM 0 HA PHE A 58 -8.860 3.417 6.065 1.00 0.35 H new ATOM 0 HB2 PHE A 58 -9.869 6.124 7.043 1.00 0.39 H new ATOM 0 HB3 PHE A 58 -10.162 5.478 5.440 1.00 0.39 H new ATOM 0 HD1 PHE A 58 -11.467 3.258 5.232 1.00 2.37 H new ATOM 0 HD2 PHE A 58 -11.288 5.558 8.870 1.00 1.42 H new ATOM 0 HE1 PHE A 58 -13.439 2.027 6.112 1.00 2.71 H new ATOM 0 HE2 PHE A 58 -13.224 4.290 9.770 1.00 1.36 H new ATOM 0 HZ PHE A 58 -14.305 2.529 8.388 1.00 1.36 H new ATOM 922 N ILE A 59 -7.189 4.777 4.702 1.00 0.25 N ATOM 923 CA ILE A 59 -6.346 5.638 3.865 1.00 0.25 C ATOM 924 C ILE A 59 -7.257 6.418 2.913 1.00 0.32 C ATOM 925 O ILE A 59 -8.107 5.829 2.239 1.00 0.37 O ATOM 926 CB ILE A 59 -5.326 4.792 3.087 1.00 0.33 C ATOM 927 CG1 ILE A 59 -4.362 4.037 4.025 1.00 0.59 C ATOM 928 CG2 ILE A 59 -4.525 5.607 2.062 1.00 0.56 C ATOM 929 CD1 ILE A 59 -3.712 2.860 3.296 1.00 0.80 C ATOM 0 H ILE A 59 -7.467 3.904 4.254 1.00 0.25 H new ATOM 0 HA ILE A 59 -5.784 6.336 4.485 1.00 0.25 H new ATOM 0 HB ILE A 59 -5.921 4.063 2.537 1.00 0.33 H new ATOM 0 HG12 ILE A 59 -3.591 4.717 4.387 1.00 0.59 H new ATOM 0 HG13 ILE A 59 -4.905 3.676 4.899 1.00 0.59 H new ATOM 0 HG21 ILE A 59 -3.822 4.953 1.546 1.00 0.56 H new ATOM 0 HG22 ILE A 59 -5.207 6.051 1.337 1.00 0.56 H new ATOM 0 HG23 ILE A 59 -3.976 6.397 2.574 1.00 0.56 H new ATOM 0 HD11 ILE A 59 -3.036 2.340 3.975 1.00 0.80 H new ATOM 0 HD12 ILE A 59 -4.485 2.171 2.956 1.00 0.80 H new ATOM 0 HD13 ILE A 59 -3.151 3.229 2.437 1.00 0.80 H new ATOM 941 N GLU A 60 -7.017 7.726 2.829 1.00 0.40 N ATOM 942 CA GLU A 60 -7.623 8.677 1.893 1.00 0.42 C ATOM 943 C GLU A 60 -6.541 9.338 1.022 1.00 0.43 C ATOM 944 O GLU A 60 -5.346 9.161 1.276 1.00 0.42 O ATOM 945 CB GLU A 60 -8.462 9.764 2.608 1.00 0.60 C ATOM 946 CG GLU A 60 -9.129 9.403 3.948 1.00 1.38 C ATOM 947 CD GLU A 60 -8.185 9.499 5.155 1.00 1.01 C ATOM 948 OE1 GLU A 60 -7.584 10.560 5.389 1.00 1.66 O ATOM 949 OE2 GLU A 60 -8.034 8.511 5.908 1.00 2.40 O ATOM 0 H GLU A 60 -6.351 8.181 3.453 1.00 0.40 H new ATOM 0 HA GLU A 60 -8.303 8.106 1.261 1.00 0.42 H new ATOM 0 HB2 GLU A 60 -7.816 10.625 2.779 1.00 0.60 H new ATOM 0 HB3 GLU A 60 -9.246 10.085 1.922 1.00 0.60 H new ATOM 0 HG2 GLU A 60 -9.979 10.065 4.110 1.00 1.38 H new ATOM 0 HG3 GLU A 60 -9.522 8.388 3.886 1.00 1.38 H new ATOM 956 N GLU A 61 -6.957 10.125 0.016 1.00 0.52 N ATOM 957 CA GLU A 61 -6.077 10.739 -0.994 1.00 0.57 C ATOM 958 C GLU A 61 -4.879 11.523 -0.420 1.00 0.57 C ATOM 959 O GLU A 61 -3.835 11.592 -1.066 1.00 0.61 O ATOM 960 CB GLU A 61 -6.895 11.559 -2.005 1.00 0.71 C ATOM 961 CG GLU A 61 -7.541 12.831 -1.441 1.00 1.19 C ATOM 962 CD GLU A 61 -8.502 13.434 -2.472 1.00 1.91 C ATOM 963 OE1 GLU A 61 -8.010 14.103 -3.409 1.00 2.47 O ATOM 964 OE2 GLU A 61 -9.722 13.195 -2.318 1.00 2.99 O ATOM 0 H GLU A 61 -7.940 10.358 -0.121 1.00 0.52 H new ATOM 0 HA GLU A 61 -5.609 9.910 -1.525 1.00 0.57 H new ATOM 0 HB2 GLU A 61 -6.245 11.838 -2.834 1.00 0.71 H new ATOM 0 HB3 GLU A 61 -7.679 10.923 -2.415 1.00 0.71 H new ATOM 0 HG2 GLU A 61 -8.080 12.598 -0.522 1.00 1.19 H new ATOM 0 HG3 GLU A 61 -6.770 13.557 -1.183 1.00 1.19 H new ATOM 971 N ASP A 62 -5.009 12.045 0.807 1.00 0.57 N ATOM 972 CA ASP A 62 -3.981 12.780 1.547 1.00 0.60 C ATOM 973 C ASP A 62 -2.764 11.907 1.920 1.00 0.52 C ATOM 974 O ASP A 62 -1.635 12.255 1.577 1.00 0.64 O ATOM 975 CB ASP A 62 -4.630 13.417 2.790 1.00 0.69 C ATOM 976 CG ASP A 62 -3.871 14.667 3.240 1.00 1.47 C ATOM 977 OD1 ASP A 62 -4.107 15.726 2.617 1.00 2.70 O ATOM 978 OD2 ASP A 62 -3.065 14.555 4.189 1.00 2.36 O ATOM 0 H ASP A 62 -5.878 11.961 1.334 1.00 0.57 H new ATOM 0 HA ASP A 62 -3.582 13.560 0.899 1.00 0.60 H new ATOM 0 HB2 ASP A 62 -5.665 13.678 2.568 1.00 0.69 H new ATOM 0 HB3 ASP A 62 -4.652 12.691 3.603 1.00 0.69 H new ATOM 983 N GLU A 63 -2.970 10.740 2.555 1.00 0.43 N ATOM 984 CA GLU A 63 -1.873 9.783 2.782 1.00 0.41 C ATOM 985 C GLU A 63 -1.472 9.128 1.467 1.00 0.36 C ATOM 986 O GLU A 63 -0.291 8.931 1.195 1.00 0.42 O ATOM 987 CB GLU A 63 -2.268 8.632 3.717 1.00 0.50 C ATOM 988 CG GLU A 63 -2.472 9.012 5.181 1.00 0.63 C ATOM 989 CD GLU A 63 -3.923 9.412 5.435 1.00 1.23 C ATOM 990 OE1 GLU A 63 -4.820 8.553 5.224 1.00 1.46 O ATOM 991 OE2 GLU A 63 -4.148 10.540 5.912 1.00 2.79 O ATOM 0 H GLU A 63 -3.875 10.439 2.916 1.00 0.43 H new ATOM 0 HA GLU A 63 -1.065 10.363 3.228 1.00 0.41 H new ATOM 0 HB2 GLU A 63 -3.190 8.185 3.344 1.00 0.50 H new ATOM 0 HB3 GLU A 63 -1.497 7.863 3.664 1.00 0.50 H new ATOM 0 HG2 GLU A 63 -2.203 8.172 5.821 1.00 0.63 H new ATOM 0 HG3 GLU A 63 -1.810 9.837 5.444 1.00 0.63 H new ATOM 998 N LEU A 64 -2.474 8.772 0.660 1.00 0.36 N ATOM 999 CA LEU A 64 -2.353 8.034 -0.586 1.00 0.39 C ATOM 1000 C LEU A 64 -1.526 8.774 -1.650 1.00 0.54 C ATOM 1001 O LEU A 64 -1.099 8.154 -2.615 1.00 0.85 O ATOM 1002 CB LEU A 64 -3.784 7.731 -1.021 1.00 0.70 C ATOM 1003 CG LEU A 64 -3.957 6.609 -2.041 1.00 0.52 C ATOM 1004 CD1 LEU A 64 -5.206 5.783 -1.689 1.00 0.91 C ATOM 1005 CD2 LEU A 64 -4.169 7.196 -3.429 1.00 0.92 C ATOM 0 H LEU A 64 -3.443 9.007 0.876 1.00 0.36 H new ATOM 0 HA LEU A 64 -1.789 7.112 -0.446 1.00 0.39 H new ATOM 0 HB2 LEU A 64 -4.365 7.480 -0.134 1.00 0.70 H new ATOM 0 HB3 LEU A 64 -4.215 8.641 -1.437 1.00 0.70 H new ATOM 0 HG LEU A 64 -3.063 5.986 -2.025 1.00 0.52 H new ATOM 0 HD11 LEU A 64 -5.330 4.982 -2.418 1.00 0.91 H new ATOM 0 HD12 LEU A 64 -5.090 5.354 -0.694 1.00 0.91 H new ATOM 0 HD13 LEU A 64 -6.085 6.427 -1.706 1.00 0.91 H new ATOM 0 HD21 LEU A 64 -4.292 6.388 -4.151 1.00 0.92 H new ATOM 0 HD22 LEU A 64 -5.063 7.820 -3.428 1.00 0.92 H new ATOM 0 HD23 LEU A 64 -3.305 7.801 -3.704 1.00 0.92 H new ATOM 1017 N GLY A 65 -1.212 10.057 -1.438 1.00 0.48 N ATOM 1018 CA GLY A 65 -0.133 10.752 -2.131 1.00 0.55 C ATOM 1019 C GLY A 65 1.253 10.131 -1.902 1.00 0.50 C ATOM 1020 O GLY A 65 2.004 10.007 -2.857 1.00 0.63 O ATOM 0 H GLY A 65 -1.710 10.646 -0.770 1.00 0.48 H new ATOM 0 HA2 GLY A 65 -0.346 10.759 -3.200 1.00 0.55 H new ATOM 0 HA3 GLY A 65 -0.114 11.791 -1.803 1.00 0.55 H new ATOM 1024 N PHE A 66 1.626 9.740 -0.674 1.00 0.48 N ATOM 1025 CA PHE A 66 3.004 9.323 -0.333 1.00 0.55 C ATOM 1026 C PHE A 66 3.101 8.118 0.626 1.00 0.54 C ATOM 1027 O PHE A 66 4.182 7.804 1.127 1.00 0.75 O ATOM 1028 CB PHE A 66 3.815 10.539 0.142 1.00 0.65 C ATOM 1029 CG PHE A 66 3.377 11.155 1.456 1.00 0.52 C ATOM 1030 CD1 PHE A 66 2.251 11.999 1.503 1.00 2.11 C ATOM 1031 CD2 PHE A 66 4.125 10.924 2.626 1.00 2.10 C ATOM 1032 CE1 PHE A 66 1.863 12.596 2.714 1.00 1.97 C ATOM 1033 CE2 PHE A 66 3.756 11.547 3.830 1.00 2.31 C ATOM 1034 CZ PHE A 66 2.620 12.377 3.878 1.00 0.80 C ATOM 0 H PHE A 66 0.982 9.702 0.116 1.00 0.48 H new ATOM 0 HA PHE A 66 3.451 8.940 -1.251 1.00 0.55 H new ATOM 0 HB2 PHE A 66 4.860 10.242 0.233 1.00 0.65 H new ATOM 0 HB3 PHE A 66 3.768 11.307 -0.630 1.00 0.65 H new ATOM 0 HD1 PHE A 66 1.683 12.188 0.604 1.00 2.11 H new ATOM 0 HD2 PHE A 66 4.982 10.268 2.598 1.00 2.10 H new ATOM 0 HE1 PHE A 66 0.984 13.223 2.751 1.00 1.97 H new ATOM 0 HE2 PHE A 66 4.345 11.389 4.721 1.00 2.31 H new ATOM 0 HZ PHE A 66 2.331 12.845 4.807 1.00 0.80 H new ATOM 1044 N ILE A 67 1.989 7.399 0.805 1.00 0.73 N ATOM 1045 CA ILE A 67 1.750 6.069 1.370 1.00 0.57 C ATOM 1046 C ILE A 67 2.976 5.150 1.362 1.00 0.53 C ATOM 1047 O ILE A 67 3.307 4.555 2.391 1.00 0.54 O ATOM 1048 CB ILE A 67 0.494 5.522 0.640 1.00 0.75 C ATOM 1049 CG1 ILE A 67 0.093 4.083 0.974 1.00 1.05 C ATOM 1050 CG2 ILE A 67 0.514 5.688 -0.889 1.00 1.16 C ATOM 1051 CD1 ILE A 67 0.931 2.983 0.319 1.00 0.74 C ATOM 0 H ILE A 67 1.100 7.802 0.510 1.00 0.73 H new ATOM 0 HA ILE A 67 1.558 6.124 2.442 1.00 0.57 H new ATOM 0 HB ILE A 67 -0.271 6.177 1.057 1.00 0.75 H new ATOM 0 HG12 ILE A 67 0.143 3.955 2.055 1.00 1.05 H new ATOM 0 HG13 ILE A 67 -0.948 3.940 0.684 1.00 1.05 H new ATOM 0 HG21 ILE A 67 -0.403 5.277 -1.312 1.00 1.16 H new ATOM 0 HG22 ILE A 67 0.587 6.746 -1.139 1.00 1.16 H new ATOM 0 HG23 ILE A 67 1.373 5.158 -1.301 1.00 1.16 H new ATOM 0 HD11 ILE A 67 0.556 2.007 0.628 1.00 0.74 H new ATOM 0 HD12 ILE A 67 0.864 3.071 -0.765 1.00 0.74 H new ATOM 0 HD13 ILE A 67 1.971 3.086 0.627 1.00 0.74 H new ATOM 1063 N LEU A 68 3.680 5.062 0.229 1.00 0.60 N ATOM 1064 CA LEU A 68 4.880 4.248 0.051 1.00 0.71 C ATOM 1065 C LEU A 68 5.954 4.491 1.121 1.00 0.68 C ATOM 1066 O LEU A 68 6.636 3.553 1.530 1.00 0.70 O ATOM 1067 CB LEU A 68 5.470 4.528 -1.338 1.00 0.93 C ATOM 1068 CG LEU A 68 4.575 4.276 -2.555 1.00 1.32 C ATOM 1069 CD1 LEU A 68 5.465 4.402 -3.796 1.00 1.17 C ATOM 1070 CD2 LEU A 68 3.951 2.889 -2.504 1.00 2.20 C ATOM 0 H LEU A 68 3.419 5.573 -0.615 1.00 0.60 H new ATOM 0 HA LEU A 68 4.575 3.206 0.151 1.00 0.71 H new ATOM 0 HB2 LEU A 68 5.786 5.571 -1.364 1.00 0.93 H new ATOM 0 HB3 LEU A 68 6.368 3.920 -1.450 1.00 0.93 H new ATOM 0 HG LEU A 68 3.757 4.996 -2.575 1.00 1.32 H new ATOM 0 HD11 LEU A 68 4.868 4.230 -4.691 1.00 1.17 H new ATOM 0 HD12 LEU A 68 5.896 5.402 -3.835 1.00 1.17 H new ATOM 0 HD13 LEU A 68 6.265 3.664 -3.746 1.00 1.17 H new ATOM 0 HD21 LEU A 68 3.322 2.741 -3.381 1.00 2.20 H new ATOM 0 HD22 LEU A 68 4.739 2.136 -2.491 1.00 2.20 H new ATOM 0 HD23 LEU A 68 3.345 2.796 -1.603 1.00 2.20 H new ATOM 1082 N LYS A 69 6.069 5.736 1.609 1.00 0.75 N ATOM 1083 CA LYS A 69 7.020 6.167 2.640 1.00 0.93 C ATOM 1084 C LYS A 69 6.763 5.483 3.993 1.00 0.95 C ATOM 1085 O LYS A 69 7.650 5.469 4.841 1.00 1.15 O ATOM 1086 CB LYS A 69 6.977 7.710 2.695 1.00 1.13 C ATOM 1087 CG LYS A 69 8.286 8.429 3.061 1.00 0.86 C ATOM 1088 CD LYS A 69 8.689 8.335 4.540 1.00 1.49 C ATOM 1089 CE LYS A 69 9.650 9.460 4.941 1.00 1.48 C ATOM 1090 NZ LYS A 69 10.962 9.336 4.264 1.00 2.63 N ATOM 0 H LYS A 69 5.477 6.499 1.281 1.00 0.75 H new ATOM 0 HA LYS A 69 8.032 5.854 2.384 1.00 0.93 H new ATOM 0 HB2 LYS A 69 6.650 8.075 1.722 1.00 1.13 H new ATOM 0 HB3 LYS A 69 6.215 8.003 3.418 1.00 1.13 H new ATOM 0 HG2 LYS A 69 9.091 8.016 2.454 1.00 0.86 H new ATOM 0 HG3 LYS A 69 8.192 9.481 2.792 1.00 0.86 H new ATOM 0 HD2 LYS A 69 7.796 8.380 5.164 1.00 1.49 H new ATOM 0 HD3 LYS A 69 9.160 7.370 4.728 1.00 1.49 H new ATOM 0 HE2 LYS A 69 9.204 10.423 4.694 1.00 1.48 H new ATOM 0 HE3 LYS A 69 9.796 9.444 6.021 1.00 1.48 H new ATOM 0 HZ1 LYS A 69 11.582 10.116 4.563 1.00 2.63 H new ATOM 0 HZ2 LYS A 69 11.400 8.428 4.520 1.00 2.63 H new ATOM 0 HZ3 LYS A 69 10.826 9.377 3.234 1.00 2.63 H new ATOM 1104 N GLY A 70 5.589 4.866 4.186 1.00 0.82 N ATOM 1105 CA GLY A 70 5.328 3.967 5.307 1.00 0.84 C ATOM 1106 C GLY A 70 5.937 2.582 5.110 1.00 0.76 C ATOM 1107 O GLY A 70 6.558 2.061 6.032 1.00 1.02 O ATOM 0 H GLY A 70 4.791 4.981 3.561 1.00 0.82 H new ATOM 0 HA2 GLY A 70 5.727 4.408 6.220 1.00 0.84 H new ATOM 0 HA3 GLY A 70 4.251 3.869 5.445 1.00 0.84 H new ATOM 1111 N PHE A 71 5.795 1.987 3.916 1.00 0.51 N ATOM 1112 CA PHE A 71 6.408 0.692 3.619 1.00 0.44 C ATOM 1113 C PHE A 71 7.932 0.742 3.790 1.00 0.44 C ATOM 1114 O PHE A 71 8.498 -0.185 4.377 1.00 0.52 O ATOM 1115 CB PHE A 71 6.024 0.202 2.213 1.00 0.42 C ATOM 1116 CG PHE A 71 4.594 -0.290 2.050 1.00 0.53 C ATOM 1117 CD1 PHE A 71 4.133 -1.386 2.808 1.00 1.44 C ATOM 1118 CD2 PHE A 71 3.761 0.264 1.058 1.00 1.68 C ATOM 1119 CE1 PHE A 71 2.865 -1.936 2.556 1.00 1.47 C ATOM 1120 CE2 PHE A 71 2.488 -0.282 0.812 1.00 1.78 C ATOM 1121 CZ PHE A 71 2.044 -1.391 1.553 1.00 0.85 C ATOM 0 H PHE A 71 5.261 2.385 3.144 1.00 0.51 H new ATOM 0 HA PHE A 71 6.018 -0.027 4.339 1.00 0.44 H new ATOM 0 HB2 PHE A 71 6.191 1.016 1.507 1.00 0.42 H new ATOM 0 HB3 PHE A 71 6.700 -0.606 1.933 1.00 0.42 H new ATOM 0 HD1 PHE A 71 4.756 -1.804 3.585 1.00 1.44 H new ATOM 0 HD2 PHE A 71 4.102 1.113 0.483 1.00 1.68 H new ATOM 0 HE1 PHE A 71 2.520 -2.780 3.135 1.00 1.47 H new ATOM 0 HE2 PHE A 71 1.852 0.151 0.054 1.00 1.78 H new ATOM 0 HZ PHE A 71 1.075 -1.823 1.352 1.00 0.85 H new ATOM 1131 N SER A 72 8.597 1.810 3.310 1.00 0.47 N ATOM 1132 CA SER A 72 10.029 2.039 3.536 1.00 0.43 C ATOM 1133 C SER A 72 10.530 3.353 2.921 1.00 0.60 C ATOM 1134 O SER A 72 9.788 4.006 2.188 1.00 0.75 O ATOM 1135 CB SER A 72 10.810 0.843 2.972 1.00 0.37 C ATOM 1136 OG SER A 72 11.173 0.021 4.048 1.00 0.86 O ATOM 0 H SER A 72 8.151 2.539 2.753 1.00 0.47 H new ATOM 0 HA SER A 72 10.193 2.131 4.610 1.00 0.43 H new ATOM 0 HB2 SER A 72 10.199 0.290 2.258 1.00 0.37 H new ATOM 0 HB3 SER A 72 11.696 1.184 2.436 1.00 0.37 H new ATOM 0 HG SER A 72 10.365 -0.318 4.488 1.00 0.86 H new ATOM 1142 N PRO A 73 11.791 3.755 3.189 1.00 0.61 N ATOM 1143 CA PRO A 73 12.433 4.849 2.466 1.00 0.74 C ATOM 1144 C PRO A 73 12.787 4.440 1.023 1.00 0.83 C ATOM 1145 O PRO A 73 12.767 3.260 0.684 1.00 0.87 O ATOM 1146 CB PRO A 73 13.668 5.194 3.303 1.00 0.67 C ATOM 1147 CG PRO A 73 14.071 3.846 3.895 1.00 0.58 C ATOM 1148 CD PRO A 73 12.730 3.157 4.137 1.00 0.56 C ATOM 0 HA PRO A 73 11.780 5.714 2.351 1.00 0.74 H new ATOM 0 HB2 PRO A 73 14.463 5.620 2.692 1.00 0.67 H new ATOM 0 HB3 PRO A 73 13.438 5.923 4.080 1.00 0.67 H new ATOM 0 HG2 PRO A 73 14.699 3.276 3.209 1.00 0.58 H new ATOM 0 HG3 PRO A 73 14.635 3.965 4.820 1.00 0.58 H new ATOM 0 HD2 PRO A 73 12.810 2.081 3.980 1.00 0.56 H new ATOM 0 HD3 PRO A 73 12.395 3.305 5.164 1.00 0.56 H new ATOM 1156 N ASP A 74 13.074 5.463 0.204 1.00 0.96 N ATOM 1157 CA ASP A 74 13.226 5.548 -1.272 1.00 1.03 C ATOM 1158 C ASP A 74 11.984 6.245 -1.843 1.00 0.83 C ATOM 1159 O ASP A 74 12.073 7.190 -2.624 1.00 1.53 O ATOM 1160 CB ASP A 74 13.428 4.190 -1.976 1.00 1.56 C ATOM 1161 CG ASP A 74 13.521 4.339 -3.497 1.00 2.77 C ATOM 1162 OD1 ASP A 74 14.573 4.833 -3.951 1.00 2.87 O ATOM 1163 OD2 ASP A 74 12.530 3.968 -4.179 1.00 4.25 O ATOM 0 H ASP A 74 13.228 6.385 0.613 1.00 0.96 H new ATOM 0 HA ASP A 74 14.138 6.113 -1.464 1.00 1.03 H new ATOM 0 HB2 ASP A 74 14.337 3.720 -1.602 1.00 1.56 H new ATOM 0 HB3 ASP A 74 12.600 3.526 -1.727 1.00 1.56 H new ATOM 1168 N ALA A 75 10.830 5.789 -1.354 1.00 0.90 N ATOM 1169 CA ALA A 75 9.490 6.267 -1.622 1.00 0.94 C ATOM 1170 C ALA A 75 9.305 7.791 -1.525 1.00 1.34 C ATOM 1171 O ALA A 75 9.914 8.473 -0.695 1.00 3.51 O ATOM 1172 CB ALA A 75 8.608 5.583 -0.590 1.00 1.10 C ATOM 0 H ALA A 75 10.818 5.005 -0.702 1.00 0.90 H new ATOM 0 HA ALA A 75 9.239 6.032 -2.656 1.00 0.94 H new ATOM 0 HB1 ALA A 75 7.574 5.897 -0.730 1.00 1.10 H new ATOM 0 HB2 ALA A 75 8.679 4.502 -0.710 1.00 1.10 H new ATOM 0 HB3 ALA A 75 8.938 5.859 0.411 1.00 1.10 H new ATOM 1178 N ARG A 76 8.377 8.297 -2.350 1.00 0.79 N ATOM 1179 CA ARG A 76 8.037 9.715 -2.524 1.00 0.88 C ATOM 1180 C ARG A 76 6.536 9.894 -2.774 1.00 0.79 C ATOM 1181 O ARG A 76 5.784 8.922 -2.848 1.00 0.81 O ATOM 1182 CB ARG A 76 8.808 10.310 -3.723 1.00 1.35 C ATOM 1183 CG ARG A 76 10.290 9.924 -3.799 1.00 1.53 C ATOM 1184 CD ARG A 76 11.017 10.677 -4.921 1.00 2.00 C ATOM 1185 NE ARG A 76 11.142 12.119 -4.628 1.00 3.54 N ATOM 1186 CZ ARG A 76 12.089 12.710 -3.909 1.00 4.04 C ATOM 1187 NH1 ARG A 76 13.080 12.033 -3.374 1.00 4.01 N ATOM 1188 NH2 ARG A 76 12.051 14.006 -3.708 1.00 5.46 N ATOM 0 H ARG A 76 7.812 7.693 -2.947 1.00 0.79 H new ATOM 0 HA ARG A 76 8.315 10.233 -1.606 1.00 0.88 H new ATOM 0 HB2 ARG A 76 8.318 9.993 -4.644 1.00 1.35 H new ATOM 0 HB3 ARG A 76 8.733 11.397 -3.680 1.00 1.35 H new ATOM 0 HG2 ARG A 76 10.771 10.140 -2.845 1.00 1.53 H new ATOM 0 HG3 ARG A 76 10.378 8.850 -3.965 1.00 1.53 H new ATOM 0 HD2 ARG A 76 12.009 10.248 -5.062 1.00 2.00 H new ATOM 0 HD3 ARG A 76 10.476 10.543 -5.858 1.00 2.00 H new ATOM 0 HE ARG A 76 10.423 12.727 -5.020 1.00 3.54 H new ATOM 0 HH11 ARG A 76 13.138 11.023 -3.506 1.00 4.01 H new ATOM 0 HH12 ARG A 76 13.792 12.517 -2.827 1.00 4.01 H new ATOM 0 HH21 ARG A 76 11.293 14.562 -4.104 1.00 5.46 H new ATOM 0 HH22 ARG A 76 12.779 14.458 -3.155 1.00 5.46 H new ATOM 1202 N ASP A 77 6.133 11.147 -2.966 1.00 1.04 N ATOM 1203 CA ASP A 77 4.854 11.573 -3.521 1.00 0.90 C ATOM 1204 C ASP A 77 4.620 10.997 -4.935 1.00 0.77 C ATOM 1205 O ASP A 77 5.304 11.346 -5.898 1.00 0.92 O ATOM 1206 CB ASP A 77 4.789 13.108 -3.507 1.00 1.02 C ATOM 1207 CG ASP A 77 5.230 13.674 -2.153 1.00 2.57 C ATOM 1208 OD1 ASP A 77 6.466 13.702 -1.935 1.00 3.14 O ATOM 1209 OD2 ASP A 77 4.338 14.015 -1.348 1.00 4.02 O ATOM 0 H ASP A 77 6.728 11.939 -2.723 1.00 1.04 H new ATOM 0 HA ASP A 77 4.048 11.179 -2.901 1.00 0.90 H new ATOM 0 HB2 ASP A 77 5.427 13.508 -4.295 1.00 1.02 H new ATOM 0 HB3 ASP A 77 3.771 13.433 -3.725 1.00 1.02 H new ATOM 1214 N LEU A 78 3.648 10.089 -5.027 1.00 0.62 N ATOM 1215 CA LEU A 78 3.069 9.484 -6.225 1.00 0.61 C ATOM 1216 C LEU A 78 2.454 10.528 -7.182 1.00 0.55 C ATOM 1217 O LEU A 78 2.053 11.618 -6.770 1.00 0.59 O ATOM 1218 CB LEU A 78 1.975 8.500 -5.755 1.00 0.70 C ATOM 1219 CG LEU A 78 2.471 7.300 -4.925 1.00 0.64 C ATOM 1220 CD1 LEU A 78 1.302 6.515 -4.334 1.00 1.01 C ATOM 1221 CD2 LEU A 78 3.360 6.411 -5.803 1.00 1.31 C ATOM 0 H LEU A 78 3.205 9.725 -4.184 1.00 0.62 H new ATOM 0 HA LEU A 78 3.858 8.981 -6.785 1.00 0.61 H new ATOM 0 HB2 LEU A 78 1.245 9.052 -5.163 1.00 0.70 H new ATOM 0 HB3 LEU A 78 1.452 8.120 -6.633 1.00 0.70 H new ATOM 0 HG LEU A 78 3.060 7.666 -4.084 1.00 0.64 H new ATOM 0 HD11 LEU A 78 1.684 5.675 -3.754 1.00 1.01 H new ATOM 0 HD12 LEU A 78 0.717 7.167 -3.686 1.00 1.01 H new ATOM 0 HD13 LEU A 78 0.670 6.142 -5.140 1.00 1.01 H new ATOM 0 HD21 LEU A 78 3.713 5.561 -5.220 1.00 1.31 H new ATOM 0 HD22 LEU A 78 2.785 6.052 -6.657 1.00 1.31 H new ATOM 0 HD23 LEU A 78 4.214 6.988 -6.157 1.00 1.31 H new ATOM 1233 N SER A 79 2.313 10.176 -8.468 1.00 0.54 N ATOM 1234 CA SER A 79 1.645 11.024 -9.465 1.00 0.50 C ATOM 1235 C SER A 79 0.160 11.240 -9.155 1.00 0.48 C ATOM 1236 O SER A 79 -0.517 10.373 -8.603 1.00 0.50 O ATOM 1237 CB SER A 79 1.804 10.384 -10.845 1.00 0.49 C ATOM 1238 OG SER A 79 1.004 10.979 -11.846 1.00 1.27 O ATOM 0 H SER A 79 2.659 9.294 -8.846 1.00 0.54 H new ATOM 0 HA SER A 79 2.117 12.006 -9.440 1.00 0.50 H new ATOM 0 HB2 SER A 79 2.850 10.445 -11.145 1.00 0.49 H new ATOM 0 HB3 SER A 79 1.554 9.325 -10.775 1.00 0.49 H new ATOM 0 HG SER A 79 1.016 10.419 -12.650 1.00 1.27 H new ATOM 1244 N ALA A 80 -0.376 12.373 -9.628 1.00 0.52 N ATOM 1245 CA ALA A 80 -1.802 12.691 -9.619 1.00 0.59 C ATOM 1246 C ALA A 80 -2.659 11.612 -10.314 1.00 0.51 C ATOM 1247 O ALA A 80 -3.805 11.380 -9.924 1.00 0.61 O ATOM 1248 CB ALA A 80 -1.992 14.058 -10.283 1.00 0.70 C ATOM 0 H ALA A 80 0.192 13.114 -10.039 1.00 0.52 H new ATOM 0 HA ALA A 80 -2.147 12.719 -8.585 1.00 0.59 H new ATOM 0 HB1 ALA A 80 -3.051 14.316 -10.287 1.00 0.70 H new ATOM 0 HB2 ALA A 80 -1.437 14.813 -9.727 1.00 0.70 H new ATOM 0 HB3 ALA A 80 -1.624 14.019 -11.308 1.00 0.70 H new ATOM 1254 N LYS A 81 -2.105 10.945 -11.340 1.00 0.41 N ATOM 1255 CA LYS A 81 -2.775 9.854 -12.065 1.00 0.41 C ATOM 1256 C LYS A 81 -2.812 8.576 -11.229 1.00 0.41 C ATOM 1257 O LYS A 81 -3.841 7.904 -11.170 1.00 0.44 O ATOM 1258 CB LYS A 81 -2.074 9.581 -13.408 1.00 0.44 C ATOM 1259 CG LYS A 81 -1.756 10.825 -14.255 1.00 0.44 C ATOM 1260 CD LYS A 81 -2.989 11.717 -14.460 1.00 1.72 C ATOM 1261 CE LYS A 81 -2.673 12.889 -15.392 1.00 2.04 C ATOM 1262 NZ LYS A 81 -3.839 13.795 -15.520 1.00 3.16 N ATOM 0 H LYS A 81 -1.170 11.151 -11.692 1.00 0.41 H new ATOM 0 HA LYS A 81 -3.800 10.169 -12.259 1.00 0.41 H new ATOM 0 HB2 LYS A 81 -1.143 9.050 -13.210 1.00 0.44 H new ATOM 0 HB3 LYS A 81 -2.703 8.913 -13.997 1.00 0.44 H new ATOM 0 HG2 LYS A 81 -0.969 11.402 -13.769 1.00 0.44 H new ATOM 0 HG3 LYS A 81 -1.370 10.513 -15.225 1.00 0.44 H new ATOM 0 HD2 LYS A 81 -3.804 11.126 -14.878 1.00 1.72 H new ATOM 0 HD3 LYS A 81 -3.331 12.096 -13.497 1.00 1.72 H new ATOM 0 HE2 LYS A 81 -1.817 13.444 -15.007 1.00 2.04 H new ATOM 0 HE3 LYS A 81 -2.392 12.511 -16.375 1.00 2.04 H new ATOM 0 HZ1 LYS A 81 -3.599 14.581 -16.157 1.00 3.16 H new ATOM 0 HZ2 LYS A 81 -4.647 13.268 -15.909 1.00 3.16 H new ATOM 0 HZ3 LYS A 81 -4.090 14.172 -14.584 1.00 3.16 H new ATOM 1276 N GLU A 82 -1.693 8.299 -10.558 1.00 0.43 N ATOM 1277 CA GLU A 82 -1.511 7.222 -9.591 1.00 0.47 C ATOM 1278 C GLU A 82 -2.571 7.337 -8.497 1.00 0.43 C ATOM 1279 O GLU A 82 -3.456 6.489 -8.439 1.00 0.44 O ATOM 1280 CB GLU A 82 -0.079 7.278 -9.027 1.00 0.64 C ATOM 1281 CG GLU A 82 0.560 5.904 -8.798 1.00 0.72 C ATOM 1282 CD GLU A 82 0.205 5.286 -7.444 1.00 1.79 C ATOM 1283 OE1 GLU A 82 -0.923 5.523 -6.964 1.00 3.26 O ATOM 1284 OE2 GLU A 82 1.072 4.568 -6.904 1.00 2.28 O ATOM 0 H GLU A 82 -0.845 8.852 -10.683 1.00 0.43 H new ATOM 0 HA GLU A 82 -1.638 6.251 -10.070 1.00 0.47 H new ATOM 0 HB2 GLU A 82 0.548 7.848 -9.713 1.00 0.64 H new ATOM 0 HB3 GLU A 82 -0.094 7.822 -8.082 1.00 0.64 H new ATOM 0 HG2 GLU A 82 0.243 5.228 -9.592 1.00 0.72 H new ATOM 0 HG3 GLU A 82 1.643 5.998 -8.873 1.00 0.72 H new ATOM 1291 N THR A 83 -2.545 8.421 -7.704 1.00 0.43 N ATOM 1292 CA THR A 83 -3.450 8.586 -6.558 1.00 0.40 C ATOM 1293 C THR A 83 -4.925 8.442 -6.946 1.00 0.41 C ATOM 1294 O THR A 83 -5.664 7.747 -6.253 1.00 0.42 O ATOM 1295 CB THR A 83 -3.159 9.872 -5.753 1.00 0.56 C ATOM 1296 OG1 THR A 83 -4.075 10.038 -4.700 1.00 2.14 O ATOM 1297 CG2 THR A 83 -3.235 11.161 -6.560 1.00 1.72 C ATOM 0 H THR A 83 -1.901 9.201 -7.839 1.00 0.43 H new ATOM 0 HA THR A 83 -3.240 7.758 -5.881 1.00 0.40 H new ATOM 0 HB THR A 83 -2.137 9.720 -5.406 1.00 0.56 H new ATOM 0 HG1 THR A 83 -3.864 10.859 -4.209 1.00 2.14 H new ATOM 0 HG21 THR A 83 -3.016 12.010 -5.912 1.00 1.72 H new ATOM 0 HG22 THR A 83 -2.507 11.126 -7.370 1.00 1.72 H new ATOM 0 HG23 THR A 83 -4.236 11.271 -6.976 1.00 1.72 H new ATOM 1305 N LYS A 84 -5.348 8.977 -8.104 1.00 0.43 N ATOM 1306 CA LYS A 84 -6.693 8.735 -8.645 1.00 0.49 C ATOM 1307 C LYS A 84 -6.984 7.249 -8.888 1.00 0.46 C ATOM 1308 O LYS A 84 -7.991 6.743 -8.389 1.00 0.55 O ATOM 1309 CB LYS A 84 -6.925 9.572 -9.916 1.00 0.60 C ATOM 1310 CG LYS A 84 -7.463 10.955 -9.527 1.00 1.48 C ATOM 1311 CD LYS A 84 -7.849 11.806 -10.745 1.00 1.59 C ATOM 1312 CE LYS A 84 -8.915 12.819 -10.306 1.00 2.59 C ATOM 1313 NZ LYS A 84 -9.253 13.777 -11.382 1.00 2.39 N ATOM 0 H LYS A 84 -4.771 9.584 -8.686 1.00 0.43 H new ATOM 0 HA LYS A 84 -7.403 9.057 -7.884 1.00 0.49 H new ATOM 0 HB2 LYS A 84 -5.993 9.676 -10.471 1.00 0.60 H new ATOM 0 HB3 LYS A 84 -7.633 9.066 -10.573 1.00 0.60 H new ATOM 0 HG2 LYS A 84 -8.334 10.833 -8.883 1.00 1.48 H new ATOM 0 HG3 LYS A 84 -6.708 11.483 -8.945 1.00 1.48 H new ATOM 0 HD2 LYS A 84 -6.974 12.322 -11.140 1.00 1.59 H new ATOM 0 HD3 LYS A 84 -8.233 11.173 -11.544 1.00 1.59 H new ATOM 0 HE2 LYS A 84 -9.816 12.287 -10.000 1.00 2.59 H new ATOM 0 HE3 LYS A 84 -8.556 13.366 -9.434 1.00 2.59 H new ATOM 0 HZ1 LYS A 84 -9.976 14.442 -11.040 1.00 2.39 H new ATOM 0 HZ2 LYS A 84 -8.400 14.305 -11.657 1.00 2.39 H new ATOM 0 HZ3 LYS A 84 -9.620 13.259 -12.205 1.00 2.39 H new ATOM 1327 N MET A 85 -6.133 6.554 -9.652 1.00 0.41 N ATOM 1328 CA MET A 85 -6.332 5.132 -9.944 1.00 0.46 C ATOM 1329 C MET A 85 -6.230 4.260 -8.685 1.00 0.46 C ATOM 1330 O MET A 85 -7.085 3.405 -8.482 1.00 0.53 O ATOM 1331 CB MET A 85 -5.354 4.666 -11.032 1.00 0.54 C ATOM 1332 CG MET A 85 -5.748 3.277 -11.551 1.00 1.55 C ATOM 1333 SD MET A 85 -4.773 2.719 -12.973 1.00 2.12 S ATOM 1334 CE MET A 85 -6.109 2.197 -14.082 1.00 2.48 C ATOM 0 H MET A 85 -5.299 6.956 -10.079 1.00 0.41 H new ATOM 0 HA MET A 85 -7.348 5.012 -10.320 1.00 0.46 H new ATOM 0 HB2 MET A 85 -5.350 5.380 -11.855 1.00 0.54 H new ATOM 0 HB3 MET A 85 -4.341 4.637 -10.630 1.00 0.54 H new ATOM 0 HG2 MET A 85 -5.639 2.554 -10.743 1.00 1.55 H new ATOM 0 HG3 MET A 85 -6.802 3.289 -11.828 1.00 1.55 H new ATOM 0 HE1 MET A 85 -5.684 1.823 -15.013 1.00 2.48 H new ATOM 0 HE2 MET A 85 -6.690 1.407 -13.605 1.00 2.48 H new ATOM 0 HE3 MET A 85 -6.758 3.047 -14.295 1.00 2.48 H new ATOM 1344 N LEU A 86 -5.227 4.484 -7.832 1.00 0.42 N ATOM 1345 CA LEU A 86 -5.027 3.788 -6.563 1.00 0.45 C ATOM 1346 C LEU A 86 -6.191 4.023 -5.597 1.00 0.45 C ATOM 1347 O LEU A 86 -6.672 3.053 -5.021 1.00 0.51 O ATOM 1348 CB LEU A 86 -3.660 4.186 -5.977 1.00 0.52 C ATOM 1349 CG LEU A 86 -3.387 3.754 -4.519 1.00 0.69 C ATOM 1350 CD1 LEU A 86 -3.694 2.283 -4.237 1.00 1.82 C ATOM 1351 CD2 LEU A 86 -1.950 4.107 -4.133 1.00 1.74 C ATOM 0 H LEU A 86 -4.506 5.182 -8.015 1.00 0.42 H new ATOM 0 HA LEU A 86 -5.016 2.712 -6.736 1.00 0.45 H new ATOM 0 HB2 LEU A 86 -2.880 3.763 -6.611 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.565 5.270 -6.036 1.00 0.52 H new ATOM 0 HG LEU A 86 -4.082 4.313 -3.892 1.00 0.69 H new ATOM 0 HD11 LEU A 86 -3.476 2.060 -3.193 1.00 1.82 H new ATOM 0 HD12 LEU A 86 -4.747 2.086 -4.438 1.00 1.82 H new ATOM 0 HD13 LEU A 86 -3.078 1.653 -4.879 1.00 1.82 H new ATOM 0 HD21 LEU A 86 -1.764 3.800 -3.104 1.00 1.74 H new ATOM 0 HD22 LEU A 86 -1.257 3.590 -4.797 1.00 1.74 H new ATOM 0 HD23 LEU A 86 -1.803 5.183 -4.223 1.00 1.74 H new ATOM 1363 N MET A 87 -6.696 5.254 -5.449 1.00 0.44 N ATOM 1364 CA MET A 87 -7.920 5.513 -4.687 1.00 0.49 C ATOM 1365 C MET A 87 -9.068 4.642 -5.219 1.00 0.50 C ATOM 1366 O MET A 87 -9.619 3.843 -4.464 1.00 0.57 O ATOM 1367 CB MET A 87 -8.271 7.009 -4.738 1.00 0.58 C ATOM 1368 CG MET A 87 -9.520 7.352 -3.914 1.00 1.09 C ATOM 1369 SD MET A 87 -10.358 8.872 -4.431 1.00 1.56 S ATOM 1370 CE MET A 87 -11.177 8.275 -5.938 1.00 2.49 C ATOM 0 H MET A 87 -6.271 6.090 -5.850 1.00 0.44 H new ATOM 0 HA MET A 87 -7.757 5.247 -3.643 1.00 0.49 H new ATOM 0 HB2 MET A 87 -7.426 7.589 -4.368 1.00 0.58 H new ATOM 0 HB3 MET A 87 -8.432 7.305 -5.775 1.00 0.58 H new ATOM 0 HG2 MET A 87 -10.224 6.522 -3.980 1.00 1.09 H new ATOM 0 HG3 MET A 87 -9.235 7.446 -2.866 1.00 1.09 H new ATOM 0 HE1 MET A 87 -11.058 9.011 -6.733 1.00 2.49 H new ATOM 0 HE2 MET A 87 -10.727 7.332 -6.247 1.00 2.49 H new ATOM 0 HE3 MET A 87 -12.238 8.123 -5.740 1.00 2.49 H new ATOM 1380 N ALA A 88 -9.407 4.780 -6.508 1.00 0.49 N ATOM 1381 CA ALA A 88 -10.529 4.082 -7.132 1.00 0.53 C ATOM 1382 C ALA A 88 -10.400 2.548 -7.097 1.00 0.50 C ATOM 1383 O ALA A 88 -11.356 1.867 -6.736 1.00 0.58 O ATOM 1384 CB ALA A 88 -10.677 4.594 -8.569 1.00 0.61 C ATOM 0 H ALA A 88 -8.900 5.388 -7.151 1.00 0.49 H new ATOM 0 HA ALA A 88 -11.426 4.301 -6.553 1.00 0.53 H new ATOM 0 HB1 ALA A 88 -11.510 4.085 -9.053 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -10.867 5.667 -8.555 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -9.759 4.395 -9.123 1.00 0.61 H new ATOM 1390 N ALA A 89 -9.242 1.998 -7.482 1.00 0.46 N ATOM 1391 CA ALA A 89 -8.999 0.557 -7.502 1.00 0.47 C ATOM 1392 C ALA A 89 -8.809 -0.016 -6.091 1.00 0.41 C ATOM 1393 O ALA A 89 -9.366 -1.065 -5.778 1.00 0.53 O ATOM 1394 CB ALA A 89 -7.771 0.269 -8.376 1.00 0.59 C ATOM 0 H ALA A 89 -8.442 2.550 -7.791 1.00 0.46 H new ATOM 0 HA ALA A 89 -9.876 0.065 -7.923 1.00 0.47 H new ATOM 0 HB1 ALA A 89 -7.583 -0.804 -8.396 1.00 0.59 H new ATOM 0 HB2 ALA A 89 -7.955 0.624 -9.390 1.00 0.59 H new ATOM 0 HB3 ALA A 89 -6.902 0.782 -7.963 1.00 0.59 H new ATOM 1400 N GLY A 90 -8.030 0.666 -5.241 1.00 0.42 N ATOM 1401 CA GLY A 90 -7.714 0.239 -3.883 1.00 0.46 C ATOM 1402 C GLY A 90 -8.948 0.185 -2.992 1.00 0.42 C ATOM 1403 O GLY A 90 -9.138 -0.787 -2.257 1.00 0.51 O ATOM 0 H GLY A 90 -7.593 1.553 -5.491 1.00 0.42 H new ATOM 0 HA2 GLY A 90 -7.247 -0.746 -3.913 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -6.985 0.924 -3.449 1.00 0.46 H new ATOM 1407 N ASP A 91 -9.823 1.192 -3.087 1.00 0.40 N ATOM 1408 CA ASP A 91 -11.182 1.113 -2.563 1.00 0.43 C ATOM 1409 C ASP A 91 -12.066 0.187 -3.431 1.00 0.48 C ATOM 1410 O ASP A 91 -13.072 0.578 -4.024 1.00 0.52 O ATOM 1411 CB ASP A 91 -11.770 2.512 -2.440 1.00 0.53 C ATOM 1412 CG ASP A 91 -13.201 2.405 -1.942 1.00 0.72 C ATOM 1413 OD1 ASP A 91 -13.445 1.729 -0.910 1.00 0.73 O ATOM 1414 OD2 ASP A 91 -14.076 2.986 -2.609 1.00 1.22 O ATOM 0 H ASP A 91 -9.604 2.084 -3.531 1.00 0.40 H new ATOM 0 HA ASP A 91 -11.151 0.669 -1.568 1.00 0.43 H new ATOM 0 HB2 ASP A 91 -11.175 3.111 -1.750 1.00 0.53 H new ATOM 0 HB3 ASP A 91 -11.744 3.017 -3.405 1.00 0.53 H new ATOM 1419 N LYS A 92 -11.742 -1.102 -3.440 1.00 0.60 N ATOM 1420 CA LYS A 92 -12.513 -2.162 -4.106 1.00 0.73 C ATOM 1421 C LYS A 92 -13.956 -2.356 -3.619 1.00 0.73 C ATOM 1422 O LYS A 92 -14.706 -3.155 -4.170 1.00 0.95 O ATOM 1423 CB LYS A 92 -11.734 -3.453 -3.930 1.00 0.91 C ATOM 1424 CG LYS A 92 -11.582 -3.914 -2.465 1.00 2.29 C ATOM 1425 CD LYS A 92 -12.339 -5.207 -2.148 1.00 3.60 C ATOM 1426 CE LYS A 92 -11.633 -6.392 -2.807 1.00 4.35 C ATOM 1427 NZ LYS A 92 -12.468 -7.608 -2.775 1.00 5.44 N ATOM 0 H LYS A 92 -10.909 -1.456 -2.970 1.00 0.60 H new ATOM 0 HA LYS A 92 -12.628 -1.861 -5.147 1.00 0.73 H new ATOM 0 HB2 LYS A 92 -12.230 -4.242 -4.496 1.00 0.91 H new ATOM 0 HB3 LYS A 92 -10.742 -3.326 -4.362 1.00 0.91 H new ATOM 0 HG2 LYS A 92 -10.524 -4.059 -2.246 1.00 2.29 H new ATOM 0 HG3 LYS A 92 -11.938 -3.123 -1.805 1.00 2.29 H new ATOM 0 HD2 LYS A 92 -12.389 -5.355 -1.069 1.00 3.60 H new ATOM 0 HD3 LYS A 92 -13.365 -5.137 -2.508 1.00 3.60 H new ATOM 0 HE2 LYS A 92 -11.391 -6.143 -3.840 1.00 4.35 H new ATOM 0 HE3 LYS A 92 -10.690 -6.584 -2.296 1.00 4.35 H new ATOM 0 HZ1 LYS A 92 -11.958 -8.392 -3.230 1.00 5.44 H new ATOM 0 HZ2 LYS A 92 -12.678 -7.859 -1.788 1.00 5.44 H new ATOM 0 HZ3 LYS A 92 -13.358 -7.432 -3.284 1.00 5.44 H new ATOM 1441 N ASP A 93 -14.303 -1.658 -2.545 1.00 0.65 N ATOM 1442 CA ASP A 93 -15.496 -1.815 -1.727 1.00 0.70 C ATOM 1443 C ASP A 93 -16.441 -0.602 -1.840 1.00 0.59 C ATOM 1444 O ASP A 93 -17.568 -0.656 -1.360 1.00 0.81 O ATOM 1445 CB ASP A 93 -14.956 -2.008 -0.309 1.00 1.06 C ATOM 1446 CG ASP A 93 -15.992 -2.407 0.730 1.00 0.77 C ATOM 1447 OD1 ASP A 93 -16.687 -3.420 0.511 1.00 1.24 O ATOM 1448 OD2 ASP A 93 -15.975 -1.716 1.771 1.00 1.09 O ATOM 0 H ASP A 93 -13.708 -0.907 -2.196 1.00 0.65 H new ATOM 0 HA ASP A 93 -16.110 -2.657 -2.047 1.00 0.70 H new ATOM 0 HB2 ASP A 93 -14.178 -2.771 -0.335 1.00 1.06 H new ATOM 0 HB3 ASP A 93 -14.482 -1.080 0.011 1.00 1.06 H new ATOM 1453 N GLY A 94 -16.005 0.487 -2.491 1.00 0.51 N ATOM 1454 CA GLY A 94 -16.834 1.664 -2.758 1.00 0.58 C ATOM 1455 C GLY A 94 -16.940 2.673 -1.603 1.00 0.64 C ATOM 1456 O GLY A 94 -17.860 3.488 -1.612 1.00 0.86 O ATOM 0 H GLY A 94 -15.054 0.572 -2.850 1.00 0.51 H new ATOM 0 HA2 GLY A 94 -16.434 2.179 -3.632 1.00 0.58 H new ATOM 0 HA3 GLY A 94 -17.838 1.329 -3.018 1.00 0.58 H new ATOM 1460 N ASP A 95 -16.028 2.650 -0.616 1.00 0.59 N ATOM 1461 CA ASP A 95 -16.002 3.688 0.456 1.00 0.69 C ATOM 1462 C ASP A 95 -15.338 5.028 0.080 1.00 0.65 C ATOM 1463 O ASP A 95 -15.392 5.978 0.868 1.00 0.93 O ATOM 1464 CB ASP A 95 -15.204 3.205 1.676 1.00 0.92 C ATOM 1465 CG ASP A 95 -15.943 2.243 2.579 1.00 0.89 C ATOM 1466 OD1 ASP A 95 -17.051 2.579 3.036 1.00 1.67 O ATOM 1467 OD2 ASP A 95 -15.270 1.227 2.867 1.00 1.04 O ATOM 0 H ASP A 95 -15.303 1.938 -0.529 1.00 0.59 H new ATOM 0 HA ASP A 95 -17.063 3.848 0.647 1.00 0.69 H new ATOM 0 HB2 ASP A 95 -14.290 2.724 1.327 1.00 0.92 H new ATOM 0 HB3 ASP A 95 -14.903 4.073 2.262 1.00 0.92 H new ATOM 1472 N GLY A 96 -14.599 5.055 -1.028 1.00 0.60 N ATOM 1473 CA GLY A 96 -13.514 5.973 -1.376 1.00 0.65 C ATOM 1474 C GLY A 96 -12.268 5.911 -0.478 1.00 0.51 C ATOM 1475 O GLY A 96 -11.420 6.795 -0.578 1.00 0.73 O ATOM 0 H GLY A 96 -14.758 4.375 -1.771 1.00 0.60 H new ATOM 0 HA2 GLY A 96 -13.209 5.771 -2.403 1.00 0.65 H new ATOM 0 HA3 GLY A 96 -13.904 6.991 -1.354 1.00 0.65 H new ATOM 1479 N LYS A 97 -12.136 4.889 0.384 1.00 0.35 N ATOM 1480 CA LYS A 97 -10.965 4.648 1.242 1.00 0.31 C ATOM 1481 C LYS A 97 -10.545 3.179 1.208 1.00 0.32 C ATOM 1482 O LYS A 97 -11.387 2.272 1.264 1.00 0.39 O ATOM 1483 CB LYS A 97 -11.250 5.028 2.700 1.00 0.39 C ATOM 1484 CG LYS A 97 -11.425 6.537 2.943 1.00 0.51 C ATOM 1485 CD LYS A 97 -12.869 7.035 2.884 1.00 1.12 C ATOM 1486 CE LYS A 97 -13.727 6.439 4.011 1.00 2.17 C ATOM 1487 NZ LYS A 97 -15.163 6.435 3.646 1.00 3.26 N ATOM 0 H LYS A 97 -12.865 4.186 0.506 1.00 0.35 H new ATOM 0 HA LYS A 97 -10.162 5.272 0.850 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -12.153 4.513 3.027 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -10.433 4.665 3.323 1.00 0.39 H new ATOM 0 HG2 LYS A 97 -11.011 6.783 3.921 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -10.838 7.080 2.202 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -12.881 8.123 2.955 1.00 1.12 H new ATOM 0 HD3 LYS A 97 -13.304 6.774 1.919 1.00 1.12 H new ATOM 0 HE2 LYS A 97 -13.400 5.421 4.221 1.00 2.17 H new ATOM 0 HE3 LYS A 97 -13.583 7.015 4.925 1.00 2.17 H new ATOM 0 HZ1 LYS A 97 -15.670 5.747 4.238 1.00 3.26 H new ATOM 0 HZ2 LYS A 97 -15.562 7.383 3.798 1.00 3.26 H new ATOM 0 HZ3 LYS A 97 -15.266 6.172 2.645 1.00 3.26 H new ATOM 1501 N ILE A 98 -9.224 2.968 1.229 1.00 0.28 N ATOM 1502 CA ILE A 98 -8.603 1.649 1.393 1.00 0.28 C ATOM 1503 C ILE A 98 -8.825 1.240 2.844 1.00 0.27 C ATOM 1504 O ILE A 98 -8.411 1.959 3.759 1.00 0.28 O ATOM 1505 CB ILE A 98 -7.098 1.674 1.020 1.00 0.29 C ATOM 1506 CG1 ILE A 98 -6.965 2.020 -0.479 1.00 0.36 C ATOM 1507 CG2 ILE A 98 -6.331 0.372 1.354 1.00 0.35 C ATOM 1508 CD1 ILE A 98 -5.525 2.186 -0.966 1.00 0.39 C ATOM 0 H ILE A 98 -8.545 3.723 1.131 1.00 0.28 H new ATOM 0 HA ILE A 98 -9.055 0.922 0.718 1.00 0.28 H new ATOM 0 HB ILE A 98 -6.629 2.438 1.640 1.00 0.29 H new ATOM 0 HG12 ILE A 98 -7.445 1.235 -1.064 1.00 0.36 H new ATOM 0 HG13 ILE A 98 -7.510 2.943 -0.676 1.00 0.36 H new ATOM 0 HG21 ILE A 98 -5.287 0.479 1.059 1.00 0.35 H new ATOM 0 HG22 ILE A 98 -6.388 0.181 2.426 1.00 0.35 H new ATOM 0 HG23 ILE A 98 -6.777 -0.462 0.812 1.00 0.35 H new ATOM 0 HD11 ILE A 98 -5.526 2.428 -2.029 1.00 0.39 H new ATOM 0 HD12 ILE A 98 -5.044 2.991 -0.411 1.00 0.39 H new ATOM 0 HD13 ILE A 98 -4.977 1.257 -0.806 1.00 0.39 H new ATOM 1520 N GLY A 99 -9.492 0.098 3.028 1.00 0.31 N ATOM 1521 CA GLY A 99 -9.516 -0.634 4.294 1.00 0.32 C ATOM 1522 C GLY A 99 -8.674 -1.907 4.210 1.00 0.32 C ATOM 1523 O GLY A 99 -8.524 -2.505 3.149 1.00 0.36 O ATOM 0 H GLY A 99 -10.037 -0.349 2.291 1.00 0.31 H new ATOM 0 HA2 GLY A 99 -9.138 0.003 5.093 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -10.544 -0.891 4.550 1.00 0.32 H new ATOM 1527 N VAL A 100 -8.115 -2.326 5.344 1.00 0.33 N ATOM 1528 CA VAL A 100 -7.119 -3.400 5.439 1.00 0.37 C ATOM 1529 C VAL A 100 -7.525 -4.739 4.797 1.00 0.36 C ATOM 1530 O VAL A 100 -6.784 -5.286 3.975 1.00 0.43 O ATOM 1531 CB VAL A 100 -6.689 -3.558 6.907 1.00 0.51 C ATOM 1532 CG1 VAL A 100 -7.796 -3.888 7.922 1.00 0.55 C ATOM 1533 CG2 VAL A 100 -5.570 -4.585 7.015 1.00 0.72 C ATOM 0 H VAL A 100 -8.347 -1.918 6.250 1.00 0.33 H new ATOM 0 HA VAL A 100 -6.268 -3.091 4.832 1.00 0.37 H new ATOM 0 HB VAL A 100 -6.353 -2.561 7.191 1.00 0.51 H new ATOM 0 HG11 VAL A 100 -7.362 -3.973 8.918 1.00 0.55 H new ATOM 0 HG12 VAL A 100 -8.542 -3.094 7.918 1.00 0.55 H new ATOM 0 HG13 VAL A 100 -8.269 -4.832 7.650 1.00 0.55 H new ATOM 0 HG21 VAL A 100 -5.272 -4.690 8.058 1.00 0.72 H new ATOM 0 HG22 VAL A 100 -5.921 -5.546 6.639 1.00 0.72 H new ATOM 0 HG23 VAL A 100 -4.715 -4.255 6.425 1.00 0.72 H new ATOM 1543 N ASP A 101 -8.689 -5.278 5.164 1.00 0.40 N ATOM 1544 CA ASP A 101 -9.199 -6.584 4.711 1.00 0.51 C ATOM 1545 C ASP A 101 -9.452 -6.596 3.190 1.00 0.48 C ATOM 1546 O ASP A 101 -9.178 -7.562 2.471 1.00 0.50 O ATOM 1547 CB ASP A 101 -10.485 -6.880 5.502 1.00 0.62 C ATOM 1548 CG ASP A 101 -10.848 -8.364 5.448 1.00 0.92 C ATOM 1549 OD1 ASP A 101 -10.143 -9.135 6.137 1.00 2.34 O ATOM 1550 OD2 ASP A 101 -11.811 -8.702 4.728 1.00 1.85 O ATOM 0 H ASP A 101 -9.327 -4.807 5.805 1.00 0.40 H new ATOM 0 HA ASP A 101 -8.458 -7.361 4.898 1.00 0.51 H new ATOM 0 HB2 ASP A 101 -10.353 -6.574 6.540 1.00 0.62 H new ATOM 0 HB3 ASP A 101 -11.306 -6.289 5.097 1.00 0.62 H new ATOM 1555 N GLU A 102 -9.898 -5.447 2.684 1.00 0.45 N ATOM 1556 CA GLU A 102 -10.100 -5.159 1.272 1.00 0.47 C ATOM 1557 C GLU A 102 -8.755 -5.093 0.548 1.00 0.43 C ATOM 1558 O GLU A 102 -8.537 -5.822 -0.413 1.00 0.51 O ATOM 1559 CB GLU A 102 -10.823 -3.818 1.135 1.00 0.68 C ATOM 1560 CG GLU A 102 -12.154 -3.721 1.888 1.00 0.89 C ATOM 1561 CD GLU A 102 -12.333 -2.290 2.377 1.00 1.04 C ATOM 1562 OE1 GLU A 102 -12.386 -1.359 1.534 1.00 0.79 O ATOM 1563 OE2 GLU A 102 -12.400 -2.060 3.600 1.00 2.32 O ATOM 0 H GLU A 102 -10.139 -4.655 3.280 1.00 0.45 H new ATOM 0 HA GLU A 102 -10.700 -5.952 0.825 1.00 0.47 H new ATOM 0 HB2 GLU A 102 -10.162 -3.028 1.492 1.00 0.68 H new ATOM 0 HB3 GLU A 102 -11.006 -3.627 0.078 1.00 0.68 H new ATOM 0 HG2 GLU A 102 -12.980 -4.003 1.235 1.00 0.89 H new ATOM 0 HG3 GLU A 102 -12.163 -4.413 2.730 1.00 0.89 H new ATOM 1570 N PHE A 103 -7.826 -4.263 1.039 1.00 0.44 N ATOM 1571 CA PHE A 103 -6.474 -4.078 0.509 1.00 0.51 C ATOM 1572 C PHE A 103 -5.701 -5.396 0.385 1.00 0.50 C ATOM 1573 O PHE A 103 -4.933 -5.596 -0.552 1.00 0.55 O ATOM 1574 CB PHE A 103 -5.740 -3.126 1.462 1.00 0.69 C ATOM 1575 CG PHE A 103 -4.496 -2.460 0.920 1.00 0.44 C ATOM 1576 CD1 PHE A 103 -4.530 -1.762 -0.302 1.00 1.72 C ATOM 1577 CD2 PHE A 103 -3.329 -2.432 1.703 1.00 1.71 C ATOM 1578 CE1 PHE A 103 -3.409 -1.038 -0.736 1.00 2.06 C ATOM 1579 CE2 PHE A 103 -2.204 -1.723 1.260 1.00 2.04 C ATOM 1580 CZ PHE A 103 -2.238 -1.022 0.040 1.00 1.65 C ATOM 0 H PHE A 103 -8.007 -3.677 1.854 1.00 0.44 H new ATOM 0 HA PHE A 103 -6.540 -3.670 -0.499 1.00 0.51 H new ATOM 0 HB2 PHE A 103 -6.437 -2.347 1.771 1.00 0.69 H new ATOM 0 HB3 PHE A 103 -5.467 -3.683 2.358 1.00 0.69 H new ATOM 0 HD1 PHE A 103 -5.423 -1.784 -0.909 1.00 1.72 H new ATOM 0 HD2 PHE A 103 -3.299 -2.957 2.646 1.00 1.71 H new ATOM 0 HE1 PHE A 103 -3.446 -0.493 -1.667 1.00 2.06 H new ATOM 0 HE2 PHE A 103 -1.305 -1.715 1.859 1.00 2.04 H new ATOM 0 HZ PHE A 103 -1.370 -0.475 -0.297 1.00 1.65 H new ATOM 1590 N SER A 104 -5.953 -6.306 1.329 1.00 0.49 N ATOM 1591 CA SER A 104 -5.368 -7.643 1.429 1.00 0.49 C ATOM 1592 C SER A 104 -5.876 -8.612 0.362 1.00 0.50 C ATOM 1593 O SER A 104 -5.208 -9.598 0.059 1.00 0.86 O ATOM 1594 CB SER A 104 -5.695 -8.208 2.812 1.00 0.56 C ATOM 1595 OG SER A 104 -5.242 -7.297 3.784 1.00 2.48 O ATOM 0 H SER A 104 -6.609 -6.117 2.087 1.00 0.49 H new ATOM 0 HA SER A 104 -4.294 -7.541 1.273 1.00 0.49 H new ATOM 0 HB2 SER A 104 -6.769 -8.367 2.912 1.00 0.56 H new ATOM 0 HB3 SER A 104 -5.216 -9.177 2.948 1.00 0.56 H new ATOM 0 HG SER A 104 -5.999 -6.773 4.119 1.00 2.48 H new ATOM 1601 N THR A 105 -7.052 -8.336 -0.213 1.00 0.40 N ATOM 1602 CA THR A 105 -7.805 -9.254 -1.070 1.00 0.44 C ATOM 1603 C THR A 105 -8.009 -8.705 -2.486 1.00 0.46 C ATOM 1604 O THR A 105 -7.979 -9.478 -3.440 1.00 0.49 O ATOM 1605 CB THR A 105 -9.121 -9.635 -0.379 1.00 0.49 C ATOM 1606 OG1 THR A 105 -9.857 -8.502 0.039 1.00 0.52 O ATOM 1607 CG2 THR A 105 -8.834 -10.498 0.851 1.00 0.47 C ATOM 0 H THR A 105 -7.520 -7.438 -0.090 1.00 0.40 H new ATOM 0 HA THR A 105 -7.218 -10.162 -1.207 1.00 0.44 H new ATOM 0 HB THR A 105 -9.713 -10.183 -1.112 1.00 0.49 H new ATOM 0 HG1 THR A 105 -9.609 -8.272 0.959 1.00 0.52 H new ATOM 0 HG21 THR A 105 -9.773 -10.764 1.336 1.00 0.47 H new ATOM 0 HG22 THR A 105 -8.313 -11.406 0.545 1.00 0.47 H new ATOM 0 HG23 THR A 105 -8.211 -9.940 1.550 1.00 0.47 H new ATOM 1615 N LEU A 106 -8.009 -7.375 -2.627 1.00 0.48 N ATOM 1616 CA LEU A 106 -7.737 -6.529 -3.805 1.00 0.47 C ATOM 1617 C LEU A 106 -6.657 -7.094 -4.748 1.00 0.48 C ATOM 1618 O LEU A 106 -6.725 -6.963 -5.968 1.00 0.58 O ATOM 1619 CB LEU A 106 -7.281 -5.176 -3.213 1.00 0.53 C ATOM 1620 CG LEU A 106 -6.612 -4.158 -4.151 1.00 1.03 C ATOM 1621 CD1 LEU A 106 -7.611 -3.614 -5.164 1.00 1.41 C ATOM 1622 CD2 LEU A 106 -6.017 -3.020 -3.326 1.00 2.98 C ATOM 0 H LEU A 106 -8.226 -6.790 -1.820 1.00 0.48 H new ATOM 0 HA LEU A 106 -8.627 -6.458 -4.430 1.00 0.47 H new ATOM 0 HB2 LEU A 106 -8.154 -4.696 -2.770 1.00 0.53 H new ATOM 0 HB3 LEU A 106 -6.586 -5.386 -2.400 1.00 0.53 H new ATOM 0 HG LEU A 106 -5.816 -4.658 -4.702 1.00 1.03 H new ATOM 0 HD11 LEU A 106 -7.114 -2.896 -5.816 1.00 1.41 H new ATOM 0 HD12 LEU A 106 -8.006 -4.435 -5.763 1.00 1.41 H new ATOM 0 HD13 LEU A 106 -8.430 -3.121 -4.639 1.00 1.41 H new ATOM 0 HD21 LEU A 106 -5.543 -2.298 -3.991 1.00 2.98 H new ATOM 0 HD22 LEU A 106 -6.809 -2.528 -2.761 1.00 2.98 H new ATOM 0 HD23 LEU A 106 -5.274 -3.421 -2.636 1.00 2.98 H new ATOM 1634 N VAL A 107 -5.624 -7.698 -4.167 1.00 0.51 N ATOM 1635 CA VAL A 107 -4.456 -8.256 -4.856 1.00 0.60 C ATOM 1636 C VAL A 107 -4.497 -9.773 -5.038 1.00 0.65 C ATOM 1637 O VAL A 107 -3.650 -10.353 -5.721 1.00 0.77 O ATOM 1638 CB VAL A 107 -3.210 -7.902 -4.051 1.00 0.58 C ATOM 1639 CG1 VAL A 107 -2.961 -6.398 -4.184 1.00 0.75 C ATOM 1640 CG2 VAL A 107 -3.325 -8.347 -2.584 1.00 0.59 C ATOM 0 H VAL A 107 -5.573 -7.819 -3.156 1.00 0.51 H new ATOM 0 HA VAL A 107 -4.449 -7.823 -5.856 1.00 0.60 H new ATOM 0 HB VAL A 107 -2.353 -8.444 -4.450 1.00 0.58 H new ATOM 0 HG11 VAL A 107 -2.073 -6.124 -3.614 1.00 0.75 H new ATOM 0 HG12 VAL A 107 -2.811 -6.145 -5.234 1.00 0.75 H new ATOM 0 HG13 VAL A 107 -3.822 -5.851 -3.799 1.00 0.75 H new ATOM 0 HG21 VAL A 107 -2.415 -8.075 -2.049 1.00 0.59 H new ATOM 0 HG22 VAL A 107 -4.180 -7.855 -2.120 1.00 0.59 H new ATOM 0 HG23 VAL A 107 -3.461 -9.428 -2.541 1.00 0.59 H new ATOM 1650 N ALA A 108 -5.472 -10.420 -4.409 1.00 0.60 N ATOM 1651 CA ALA A 108 -5.728 -11.847 -4.494 1.00 0.72 C ATOM 1652 C ALA A 108 -6.807 -12.137 -5.544 1.00 1.00 C ATOM 1653 O ALA A 108 -6.632 -13.055 -6.340 1.00 1.20 O ATOM 1654 CB ALA A 108 -6.098 -12.346 -3.098 1.00 0.70 C ATOM 0 H ALA A 108 -6.133 -9.939 -3.799 1.00 0.60 H new ATOM 0 HA ALA A 108 -4.840 -12.386 -4.825 1.00 0.72 H new ATOM 0 HB1 ALA A 108 -6.295 -13.417 -3.135 1.00 0.70 H new ATOM 0 HB2 ALA A 108 -5.273 -12.153 -2.412 1.00 0.70 H new ATOM 0 HB3 ALA A 108 -6.990 -11.825 -2.750 1.00 0.70 H new