USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 543 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 43 HIS : no HD1:sc= 1.08 K(o=2.4,f=-1.1) USER MOD Set 1.2: A 44 SER OG : rot -87:sc= 1.32 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.00553 (180deg=-0.0356) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00155 USER MOD Single : A 4 ASN : amide:sc= -0.21 K(o=-0.21,f=-5.5!) USER MOD Single : A 8 LYS NZ :NH3+ 147:sc= 1.25 (180deg=1.1) USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= 1.13 (180deg=0.932) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.01! C(o=-1!,f=-11!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.387 F(o=-0.98,f=-0.39) USER MOD Single : A 23 GLN : amide:sc= -0.666 K(o=-0.67,f=-8.9!) USER MOD Single : A 25 ASN : amide:sc= -0.342 K(o=-0.34,f=-3.3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -0.461 K(o=-0.46,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= -0.0426 (180deg=-0.323) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.106 F(o=-2.7!,f=-0.11) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0118) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.768 K(o=0.77,f=-1.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.116 15.617 2.768 1.00 10.44 N ATOM 2 CA MET A 1 3.891 14.513 3.701 1.00 23.51 C ATOM 3 C MET A 1 2.475 14.016 3.576 1.00 14.30 C ATOM 4 O MET A 1 1.548 14.807 3.401 1.00 24.22 O ATOM 5 CB MET A 1 4.139 14.941 5.158 1.00 21.12 C ATOM 6 CG MET A 1 5.560 15.367 5.471 1.00 21.45 C ATOM 7 SD MET A 1 5.757 15.880 7.184 1.00 73.14 S ATOM 8 CE MET A 1 7.512 16.238 7.220 1.00 30.42 C ATOM 0 H1 MET A 1 4.912 15.385 2.141 1.00 10.44 H new ATOM 0 H2 MET A 1 3.260 15.770 2.198 1.00 10.44 H new ATOM 0 H3 MET A 1 4.336 16.483 3.301 1.00 10.44 H new ATOM 0 HA MET A 1 4.595 13.721 3.446 1.00 23.51 H new ATOM 0 HB2 MET A 1 3.468 15.766 5.397 1.00 21.12 H new ATOM 0 HB3 MET A 1 3.872 14.113 5.814 1.00 21.12 H new ATOM 0 HG2 MET A 1 6.239 14.541 5.261 1.00 21.45 H new ATOM 0 HG3 MET A 1 5.844 16.188 4.813 1.00 21.45 H new ATOM 0 HE1 MET A 1 7.795 16.570 8.219 1.00 30.42 H new ATOM 0 HE2 MET A 1 8.072 15.338 6.965 1.00 30.42 H new ATOM 0 HE3 MET A 1 7.738 17.023 6.499 1.00 30.42 H new ATOM 20 N ALA A 2 2.305 12.720 3.654 1.00 21.45 N ATOM 21 CA ALA A 2 1.001 12.107 3.607 1.00 4.04 C ATOM 22 C ALA A 2 0.972 10.954 4.590 1.00 51.33 C ATOM 23 O ALA A 2 1.488 9.868 4.318 1.00 4.32 O ATOM 24 CB ALA A 2 0.666 11.655 2.193 1.00 34.12 C ATOM 0 H ALA A 2 3.073 12.056 3.753 1.00 21.45 H new ATOM 0 HA ALA A 2 0.238 12.832 3.891 1.00 4.04 H new ATOM 0 HB1 ALA A 2 -0.322 11.196 2.182 1.00 34.12 H new ATOM 0 HB2 ALA A 2 0.673 12.516 1.525 1.00 34.12 H new ATOM 0 HB3 ALA A 2 1.407 10.929 1.858 1.00 34.12 H new ATOM 30 N THR A 3 0.420 11.215 5.743 1.00 53.41 N ATOM 31 CA THR A 3 0.409 10.274 6.838 1.00 74.41 C ATOM 32 C THR A 3 -0.999 9.751 7.139 1.00 64.53 C ATOM 33 O THR A 3 -1.980 10.506 7.037 1.00 24.33 O ATOM 34 CB THR A 3 1.004 10.948 8.086 1.00 32.14 C ATOM 35 OG1 THR A 3 0.343 12.216 8.295 1.00 44.55 O ATOM 36 CG2 THR A 3 2.500 11.191 7.908 1.00 24.04 C ATOM 0 H THR A 3 -0.042 12.099 5.955 1.00 53.41 H new ATOM 0 HA THR A 3 1.013 9.413 6.551 1.00 74.41 H new ATOM 0 HB THR A 3 0.855 10.293 8.944 1.00 32.14 H new ATOM 0 HG1 THR A 3 0.715 12.652 9.090 1.00 44.55 H new ATOM 0 HG21 THR A 3 2.900 11.668 8.802 1.00 24.04 H new ATOM 0 HG22 THR A 3 3.007 10.239 7.747 1.00 24.04 H new ATOM 0 HG23 THR A 3 2.663 11.839 7.047 1.00 24.04 H new ATOM 44 N ASN A 4 -1.075 8.463 7.504 1.00 63.20 N ATOM 45 CA ASN A 4 -2.332 7.741 7.808 1.00 74.34 C ATOM 46 C ASN A 4 -3.354 7.961 6.695 1.00 71.31 C ATOM 47 O ASN A 4 -4.274 8.782 6.805 1.00 13.15 O ATOM 48 CB ASN A 4 -2.902 8.106 9.206 1.00 54.42 C ATOM 49 CG ASN A 4 -4.098 7.246 9.640 1.00 60.14 C ATOM 50 OD1 ASN A 4 -3.928 6.191 10.261 1.00 71.24 O ATOM 51 ND2 ASN A 4 -5.296 7.691 9.347 1.00 62.22 N ATOM 0 H ASN A 4 -0.247 7.875 7.600 1.00 63.20 H new ATOM 0 HA ASN A 4 -2.102 6.676 7.850 1.00 74.34 H new ATOM 0 HB2 ASN A 4 -2.109 8.007 9.947 1.00 54.42 H new ATOM 0 HB3 ASN A 4 -3.204 9.153 9.201 1.00 54.42 H new ATOM 0 HD21 ASN A 4 -6.120 7.163 9.633 1.00 62.22 H new ATOM 0 HD22 ASN A 4 -5.404 8.566 8.833 1.00 62.22 H new ATOM 58 N ILE A 5 -3.125 7.294 5.608 1.00 13.15 N ATOM 59 CA ILE A 5 -3.913 7.433 4.411 1.00 70.11 C ATOM 60 C ILE A 5 -4.921 6.326 4.293 1.00 61.44 C ATOM 61 O ILE A 5 -4.681 5.213 4.736 1.00 30.41 O ATOM 62 CB ILE A 5 -2.997 7.365 3.167 1.00 74.54 C ATOM 63 CG1 ILE A 5 -1.919 8.424 3.251 1.00 61.50 C ATOM 64 CG2 ILE A 5 -3.784 7.481 1.858 1.00 72.40 C ATOM 65 CD1 ILE A 5 -1.049 8.461 2.044 1.00 73.24 C ATOM 0 H ILE A 5 -2.366 6.618 5.520 1.00 13.15 H new ATOM 0 HA ILE A 5 -4.426 8.393 4.468 1.00 70.11 H new ATOM 0 HB ILE A 5 -2.525 6.383 3.161 1.00 74.54 H new ATOM 0 HG12 ILE A 5 -2.385 9.400 3.387 1.00 61.50 H new ATOM 0 HG13 ILE A 5 -1.303 8.240 4.131 1.00 61.50 H new ATOM 0 HG21 ILE A 5 -3.096 7.428 1.014 1.00 72.40 H new ATOM 0 HG22 ILE A 5 -4.503 6.664 1.792 1.00 72.40 H new ATOM 0 HG23 ILE A 5 -4.314 8.433 1.835 1.00 72.40 H new ATOM 0 HD11 ILE A 5 -0.295 9.240 2.162 1.00 73.24 H new ATOM 0 HD12 ILE A 5 -0.557 7.496 1.920 1.00 73.24 H new ATOM 0 HD13 ILE A 5 -1.656 8.674 1.164 1.00 73.24 H new ATOM 77 N VAL A 6 -6.026 6.637 3.688 1.00 34.23 N ATOM 78 CA VAL A 6 -7.027 5.666 3.400 1.00 42.44 C ATOM 79 C VAL A 6 -6.765 5.072 2.036 1.00 10.02 C ATOM 80 O VAL A 6 -6.350 5.769 1.112 1.00 3.01 O ATOM 81 CB VAL A 6 -8.465 6.267 3.417 1.00 13.30 C ATOM 82 CG1 VAL A 6 -8.626 7.420 2.427 1.00 11.50 C ATOM 83 CG2 VAL A 6 -9.510 5.180 3.182 1.00 42.42 C ATOM 0 H VAL A 6 -6.257 7.581 3.379 1.00 34.23 H new ATOM 0 HA VAL A 6 -6.975 4.905 4.179 1.00 42.44 H new ATOM 0 HB VAL A 6 -8.627 6.687 4.410 1.00 13.30 H new ATOM 0 HG11 VAL A 6 -9.645 7.804 2.478 1.00 11.50 H new ATOM 0 HG12 VAL A 6 -7.926 8.216 2.679 1.00 11.50 H new ATOM 0 HG13 VAL A 6 -8.422 7.064 1.417 1.00 11.50 H new ATOM 0 HG21 VAL A 6 -10.506 5.623 3.198 1.00 42.42 H new ATOM 0 HG22 VAL A 6 -9.337 4.712 2.213 1.00 42.42 H new ATOM 0 HG23 VAL A 6 -9.435 4.427 3.967 1.00 42.42 H new ATOM 93 N GLY A 7 -6.939 3.821 1.933 1.00 74.32 N ATOM 94 CA GLY A 7 -6.881 3.202 0.684 1.00 13.03 C ATOM 95 C GLY A 7 -7.469 1.841 0.708 1.00 72.23 C ATOM 96 O GLY A 7 -7.818 1.324 1.750 1.00 4.12 O ATOM 0 H GLY A 7 -7.126 3.195 2.717 1.00 74.32 H new ATOM 0 HA2 GLY A 7 -7.411 3.812 -0.048 1.00 13.03 H new ATOM 0 HA3 GLY A 7 -5.843 3.142 0.357 1.00 13.03 H new ATOM 100 N LYS A 8 -7.620 1.297 -0.428 1.00 1.34 N ATOM 101 CA LYS A 8 -8.053 -0.032 -0.608 1.00 52.55 C ATOM 102 C LYS A 8 -7.051 -0.749 -1.478 1.00 42.23 C ATOM 103 O LYS A 8 -6.525 -0.174 -2.447 1.00 64.23 O ATOM 104 CB LYS A 8 -9.449 -0.060 -1.230 1.00 4.01 C ATOM 105 CG LYS A 8 -9.952 -1.451 -1.560 1.00 11.14 C ATOM 106 CD LYS A 8 -11.393 -1.437 -2.032 1.00 23.41 C ATOM 107 CE LYS A 8 -12.339 -1.053 -0.901 1.00 44.53 C ATOM 108 NZ LYS A 8 -13.752 -1.055 -1.326 1.00 64.14 N ATOM 0 H LYS A 8 -7.437 1.786 -1.304 1.00 1.34 H new ATOM 0 HA LYS A 8 -8.119 -0.538 0.355 1.00 52.55 H new ATOM 0 HB2 LYS A 8 -10.150 0.415 -0.544 1.00 4.01 H new ATOM 0 HB3 LYS A 8 -9.441 0.537 -2.142 1.00 4.01 H new ATOM 0 HG2 LYS A 8 -9.322 -1.891 -2.333 1.00 11.14 H new ATOM 0 HG3 LYS A 8 -9.865 -2.086 -0.679 1.00 11.14 H new ATOM 0 HD2 LYS A 8 -11.502 -0.732 -2.856 1.00 23.41 H new ATOM 0 HD3 LYS A 8 -11.662 -2.421 -2.417 1.00 23.41 H new ATOM 0 HE2 LYS A 8 -12.211 -1.748 -0.071 1.00 44.53 H new ATOM 0 HE3 LYS A 8 -12.075 -0.063 -0.530 1.00 44.53 H new ATOM 0 HZ1 LYS A 8 -14.354 -1.345 -0.529 1.00 64.14 H new ATOM 0 HZ2 LYS A 8 -14.023 -0.100 -1.635 1.00 64.14 H new ATOM 0 HZ3 LYS A 8 -13.877 -1.722 -2.114 1.00 64.14 H new ATOM 122 N VAL A 9 -6.756 -1.972 -1.120 1.00 21.14 N ATOM 123 CA VAL A 9 -5.829 -2.776 -1.855 1.00 14.24 C ATOM 124 C VAL A 9 -6.416 -3.092 -3.217 1.00 41.31 C ATOM 125 O VAL A 9 -7.393 -3.858 -3.329 1.00 64.20 O ATOM 126 CB VAL A 9 -5.468 -4.099 -1.101 1.00 23.13 C ATOM 127 CG1 VAL A 9 -4.467 -4.934 -1.895 1.00 42.51 C ATOM 128 CG2 VAL A 9 -4.911 -3.799 0.283 1.00 70.34 C ATOM 0 H VAL A 9 -7.157 -2.436 -0.305 1.00 21.14 H new ATOM 0 HA VAL A 9 -4.904 -2.211 -1.967 1.00 14.24 H new ATOM 0 HB VAL A 9 -6.387 -4.675 -0.994 1.00 23.13 H new ATOM 0 HG11 VAL A 9 -4.237 -5.846 -1.345 1.00 42.51 H new ATOM 0 HG12 VAL A 9 -4.896 -5.193 -2.863 1.00 42.51 H new ATOM 0 HG13 VAL A 9 -3.553 -4.360 -2.045 1.00 42.51 H new ATOM 0 HG21 VAL A 9 -4.667 -4.734 0.788 1.00 70.34 H new ATOM 0 HG22 VAL A 9 -4.010 -3.192 0.189 1.00 70.34 H new ATOM 0 HG23 VAL A 9 -5.656 -3.256 0.865 1.00 70.34 H new ATOM 138 N LYS A 10 -5.858 -2.455 -4.230 1.00 13.11 N ATOM 139 CA LYS A 10 -6.262 -2.660 -5.599 1.00 25.31 C ATOM 140 C LYS A 10 -5.927 -4.067 -6.009 1.00 10.05 C ATOM 141 O LYS A 10 -6.739 -4.766 -6.601 1.00 45.15 O ATOM 142 CB LYS A 10 -5.523 -1.675 -6.494 1.00 44.11 C ATOM 143 CG LYS A 10 -5.925 -0.234 -6.319 1.00 4.51 C ATOM 144 CD LYS A 10 -4.985 0.709 -7.079 1.00 35.05 C ATOM 145 CE LYS A 10 -4.920 0.433 -8.578 1.00 14.21 C ATOM 146 NZ LYS A 10 -6.226 0.601 -9.228 1.00 44.00 N ATOM 0 H LYS A 10 -5.105 -1.776 -4.119 1.00 13.11 H new ATOM 0 HA LYS A 10 -7.336 -2.501 -5.695 1.00 25.31 H new ATOM 0 HB2 LYS A 10 -4.454 -1.764 -6.303 1.00 44.11 H new ATOM 0 HB3 LYS A 10 -5.686 -1.959 -7.534 1.00 44.11 H new ATOM 0 HG2 LYS A 10 -6.946 -0.095 -6.674 1.00 4.51 H new ATOM 0 HG3 LYS A 10 -5.918 0.020 -5.259 1.00 4.51 H new ATOM 0 HD2 LYS A 10 -5.311 1.737 -6.922 1.00 35.05 H new ATOM 0 HD3 LYS A 10 -3.983 0.625 -6.659 1.00 35.05 H new ATOM 0 HE2 LYS A 10 -4.197 1.106 -9.039 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -4.561 -0.583 -8.744 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -6.088 0.924 -10.207 1.00 44.00 H new ATOM 0 HZ2 LYS A 10 -6.731 -0.308 -9.232 1.00 44.00 H new ATOM 0 HZ3 LYS A 10 -6.785 1.306 -8.707 1.00 44.00 H new ATOM 160 N TRP A 11 -4.724 -4.462 -5.687 1.00 2.01 N ATOM 161 CA TRP A 11 -4.223 -5.779 -5.947 1.00 32.43 C ATOM 162 C TRP A 11 -2.894 -5.918 -5.288 1.00 21.45 C ATOM 163 O TRP A 11 -2.249 -4.913 -4.968 1.00 64.54 O ATOM 164 CB TRP A 11 -4.122 -6.102 -7.461 1.00 11.10 C ATOM 165 CG TRP A 11 -3.211 -5.214 -8.256 1.00 4.20 C ATOM 166 CD1 TRP A 11 -3.502 -3.994 -8.799 1.00 45.34 C ATOM 167 CD2 TRP A 11 -1.865 -5.501 -8.615 1.00 20.13 C ATOM 168 NE1 TRP A 11 -2.404 -3.508 -9.463 1.00 11.21 N ATOM 169 CE2 TRP A 11 -1.384 -4.418 -9.364 1.00 63.11 C ATOM 170 CE3 TRP A 11 -1.020 -6.575 -8.366 1.00 43.11 C ATOM 171 CZ2 TRP A 11 -0.088 -4.380 -9.868 1.00 71.43 C ATOM 172 CZ3 TRP A 11 0.265 -6.540 -8.863 1.00 12.45 C ATOM 173 CH2 TRP A 11 0.720 -5.449 -9.605 1.00 2.50 C ATOM 0 H TRP A 11 -4.048 -3.856 -5.223 1.00 2.01 H new ATOM 0 HA TRP A 11 -4.931 -6.499 -5.537 1.00 32.43 H new ATOM 0 HB2 TRP A 11 -3.783 -7.132 -7.572 1.00 11.10 H new ATOM 0 HB3 TRP A 11 -5.121 -6.047 -7.893 1.00 11.10 H new ATOM 0 HD1 TRP A 11 -4.453 -3.489 -8.718 1.00 45.34 H new ATOM 0 HE1 TRP A 11 -2.355 -2.614 -9.951 1.00 11.21 H new ATOM 0 HE3 TRP A 11 -1.364 -7.423 -7.793 1.00 43.11 H new ATOM 0 HZ2 TRP A 11 0.265 -3.538 -10.445 1.00 71.43 H new ATOM 0 HZ3 TRP A 11 0.930 -7.370 -8.675 1.00 12.45 H new ATOM 0 HH2 TRP A 11 1.733 -5.450 -9.979 1.00 2.50 H new ATOM 184 N TYR A 12 -2.497 -7.124 -5.084 1.00 31.15 N ATOM 185 CA TYR A 12 -1.243 -7.443 -4.463 1.00 53.04 C ATOM 186 C TYR A 12 -0.896 -8.847 -4.808 1.00 50.23 C ATOM 187 O TYR A 12 -1.532 -9.797 -4.332 1.00 4.35 O ATOM 188 CB TYR A 12 -1.291 -7.258 -2.937 1.00 11.12 C ATOM 189 CG TYR A 12 0.013 -7.603 -2.235 1.00 45.03 C ATOM 190 CD1 TYR A 12 1.098 -6.741 -2.285 1.00 53.24 C ATOM 191 CD2 TYR A 12 0.152 -8.792 -1.528 1.00 75.12 C ATOM 192 CE1 TYR A 12 2.285 -7.050 -1.646 1.00 15.21 C ATOM 193 CE2 TYR A 12 1.331 -9.107 -0.886 1.00 42.43 C ATOM 194 CZ TYR A 12 2.393 -8.233 -0.948 1.00 74.23 C ATOM 195 OH TYR A 12 3.571 -8.547 -0.310 1.00 41.41 O ATOM 0 H TYR A 12 -3.044 -7.944 -5.348 1.00 31.15 H new ATOM 0 HA TYR A 12 -0.480 -6.759 -4.835 1.00 53.04 H new ATOM 0 HB2 TYR A 12 -1.550 -6.223 -2.714 1.00 11.12 H new ATOM 0 HB3 TYR A 12 -2.088 -7.881 -2.530 1.00 11.12 H new ATOM 0 HD1 TYR A 12 1.015 -5.813 -2.832 1.00 53.24 H new ATOM 0 HD2 TYR A 12 -0.678 -9.481 -1.481 1.00 75.12 H new ATOM 0 HE1 TYR A 12 3.122 -6.369 -1.694 1.00 15.21 H new ATOM 0 HE2 TYR A 12 1.421 -10.033 -0.338 1.00 42.43 H new ATOM 0 HH TYR A 12 3.480 -9.415 0.136 1.00 41.41 H new ATOM 205 N ASN A 13 0.081 -8.995 -5.641 1.00 14.45 N ATOM 206 CA ASN A 13 0.469 -10.287 -6.080 1.00 0.31 C ATOM 207 C ASN A 13 1.418 -10.875 -5.076 1.00 63.32 C ATOM 208 O ASN A 13 2.569 -10.459 -4.985 1.00 64.22 O ATOM 209 CB ASN A 13 1.117 -10.222 -7.458 1.00 60.11 C ATOM 210 CG ASN A 13 1.326 -11.600 -8.048 1.00 12.32 C ATOM 211 OD1 ASN A 13 2.374 -12.214 -7.868 1.00 73.14 O ATOM 212 ND2 ASN A 13 0.332 -12.104 -8.741 1.00 11.04 N ATOM 0 H ASN A 13 0.627 -8.227 -6.032 1.00 14.45 H new ATOM 0 HA ASN A 13 -0.414 -10.920 -6.163 1.00 0.31 H new ATOM 0 HB2 ASN A 13 0.490 -9.632 -8.127 1.00 60.11 H new ATOM 0 HB3 ASN A 13 2.076 -9.709 -7.385 1.00 60.11 H new ATOM 0 HD21 ASN A 13 0.416 -13.035 -9.150 1.00 11.04 H new ATOM 0 HD22 ASN A 13 -0.524 -11.565 -8.870 1.00 11.04 H new ATOM 219 N SER A 14 0.932 -11.820 -4.319 1.00 72.11 N ATOM 220 CA SER A 14 1.685 -12.465 -3.264 1.00 31.22 C ATOM 221 C SER A 14 2.897 -13.261 -3.799 1.00 72.52 C ATOM 222 O SER A 14 3.825 -13.593 -3.052 1.00 42.31 O ATOM 223 CB SER A 14 0.733 -13.345 -2.452 1.00 33.25 C ATOM 224 OG SER A 14 -0.028 -14.191 -3.308 1.00 70.30 O ATOM 0 H SER A 14 -0.019 -12.175 -4.416 1.00 72.11 H new ATOM 0 HA SER A 14 2.111 -11.698 -2.617 1.00 31.22 H new ATOM 0 HB2 SER A 14 1.303 -13.951 -1.747 1.00 33.25 H new ATOM 0 HB3 SER A 14 0.063 -12.718 -1.864 1.00 33.25 H new ATOM 0 HG SER A 14 -0.629 -14.746 -2.769 1.00 70.30 H new ATOM 230 N THR A 15 2.888 -13.550 -5.081 1.00 44.04 N ATOM 231 CA THR A 15 3.977 -14.253 -5.694 1.00 3.12 C ATOM 232 C THR A 15 5.144 -13.286 -6.002 1.00 53.14 C ATOM 233 O THR A 15 6.299 -13.593 -5.745 1.00 44.32 O ATOM 234 CB THR A 15 3.512 -14.955 -6.992 1.00 73.40 C ATOM 235 OG1 THR A 15 2.395 -15.822 -6.700 1.00 13.22 O ATOM 236 CG2 THR A 15 4.637 -15.786 -7.589 1.00 52.10 C ATOM 0 H THR A 15 2.130 -13.304 -5.718 1.00 44.04 H new ATOM 0 HA THR A 15 4.327 -15.012 -4.994 1.00 3.12 H new ATOM 0 HB THR A 15 3.217 -14.189 -7.709 1.00 73.40 H new ATOM 0 HG1 THR A 15 2.100 -16.265 -7.523 1.00 13.22 H new ATOM 0 HG21 THR A 15 4.287 -16.270 -8.501 1.00 52.10 H new ATOM 0 HG22 THR A 15 5.482 -15.139 -7.823 1.00 52.10 H new ATOM 0 HG23 THR A 15 4.949 -16.545 -6.872 1.00 52.10 H new ATOM 244 N LYS A 16 4.823 -12.113 -6.528 1.00 43.51 N ATOM 245 CA LYS A 16 5.858 -11.152 -6.919 1.00 3.43 C ATOM 246 C LYS A 16 6.101 -10.104 -5.835 1.00 4.02 C ATOM 247 O LYS A 16 7.031 -9.321 -5.941 1.00 2.10 O ATOM 248 CB LYS A 16 5.469 -10.460 -8.235 1.00 41.43 C ATOM 249 CG LYS A 16 5.170 -11.352 -9.425 1.00 1.41 C ATOM 250 CD LYS A 16 6.397 -11.947 -10.057 1.00 12.03 C ATOM 251 CE LYS A 16 7.041 -13.095 -9.276 1.00 40.43 C ATOM 252 NZ LYS A 16 8.192 -13.676 -9.995 1.00 1.20 N ATOM 0 H LYS A 16 3.866 -11.801 -6.695 1.00 43.51 H new ATOM 0 HA LYS A 16 6.785 -11.709 -7.058 1.00 3.43 H new ATOM 0 HB2 LYS A 16 4.590 -9.844 -8.046 1.00 41.43 H new ATOM 0 HB3 LYS A 16 6.278 -9.785 -8.514 1.00 41.43 H new ATOM 0 HG2 LYS A 16 4.509 -12.158 -9.107 1.00 1.41 H new ATOM 0 HG3 LYS A 16 4.630 -10.774 -10.175 1.00 1.41 H new ATOM 0 HD2 LYS A 16 6.135 -12.308 -11.052 1.00 12.03 H new ATOM 0 HD3 LYS A 16 7.137 -11.158 -10.188 1.00 12.03 H new ATOM 0 HE2 LYS A 16 7.368 -12.732 -8.302 1.00 40.43 H new ATOM 0 HE3 LYS A 16 6.298 -13.871 -9.094 1.00 40.43 H new ATOM 0 HZ1 LYS A 16 8.599 -14.450 -9.432 1.00 1.20 H new ATOM 0 HZ2 LYS A 16 7.876 -14.046 -10.914 1.00 1.20 H new ATOM 0 HZ3 LYS A 16 8.913 -12.942 -10.146 1.00 1.20 H new ATOM 266 N ASN A 17 5.250 -10.108 -4.804 1.00 32.25 N ATOM 267 CA ASN A 17 5.360 -9.202 -3.632 1.00 33.31 C ATOM 268 C ASN A 17 5.094 -7.737 -4.008 1.00 65.44 C ATOM 269 O ASN A 17 5.527 -6.825 -3.307 1.00 44.32 O ATOM 270 CB ASN A 17 6.742 -9.319 -2.954 1.00 2.53 C ATOM 271 CG ASN A 17 7.091 -10.727 -2.485 1.00 30.12 C ATOM 272 OD1 ASN A 17 6.115 -11.495 -2.076 1.00 2.12 O flip ATOM 273 ND2 ASN A 17 8.256 -11.103 -2.472 1.00 43.12 N flip ATOM 0 H ASN A 17 4.454 -10.743 -4.749 1.00 32.25 H new ATOM 0 HA ASN A 17 4.592 -9.520 -2.927 1.00 33.31 H new ATOM 0 HB2 ASN A 17 7.507 -8.981 -3.653 1.00 2.53 H new ATOM 0 HB3 ASN A 17 6.772 -8.645 -2.098 1.00 2.53 H new ATOM 0 HD21 ASN A 17 8.996 -10.481 -2.797 1.00 43.12 H new ATOM 0 HD22 ASN A 17 8.486 -12.038 -2.136 1.00 43.12 H new ATOM 280 N PHE A 18 4.353 -7.508 -5.084 1.00 51.02 N ATOM 281 CA PHE A 18 4.040 -6.142 -5.514 1.00 74.31 C ATOM 282 C PHE A 18 2.567 -5.976 -5.773 1.00 61.32 C ATOM 283 O PHE A 18 1.877 -6.944 -6.108 1.00 22.52 O ATOM 284 CB PHE A 18 4.826 -5.716 -6.773 1.00 43.12 C ATOM 285 CG PHE A 18 6.300 -5.481 -6.571 1.00 22.51 C ATOM 286 CD1 PHE A 18 6.753 -4.255 -6.106 1.00 42.41 C ATOM 287 CD2 PHE A 18 7.225 -6.462 -6.862 1.00 64.12 C ATOM 288 CE1 PHE A 18 8.103 -4.018 -5.937 1.00 3.42 C ATOM 289 CE2 PHE A 18 8.577 -6.234 -6.692 1.00 32.34 C ATOM 290 CZ PHE A 18 9.017 -5.011 -6.230 1.00 3.10 C ATOM 0 H PHE A 18 3.958 -8.240 -5.674 1.00 51.02 H new ATOM 0 HA PHE A 18 4.344 -5.495 -4.691 1.00 74.31 H new ATOM 0 HB2 PHE A 18 4.700 -6.485 -7.536 1.00 43.12 H new ATOM 0 HB3 PHE A 18 4.381 -4.802 -7.165 1.00 43.12 H new ATOM 0 HD1 PHE A 18 6.041 -3.477 -5.873 1.00 42.41 H new ATOM 0 HD2 PHE A 18 6.888 -7.421 -7.227 1.00 64.12 H new ATOM 0 HE1 PHE A 18 8.443 -3.058 -5.577 1.00 3.42 H new ATOM 0 HE2 PHE A 18 9.289 -7.013 -6.921 1.00 32.34 H new ATOM 0 HZ PHE A 18 10.074 -4.830 -6.098 1.00 3.10 H new ATOM 300 N GLY A 19 2.087 -4.764 -5.614 1.00 11.45 N ATOM 301 CA GLY A 19 0.710 -4.462 -5.873 1.00 43.34 C ATOM 302 C GLY A 19 0.458 -2.980 -5.813 1.00 21.21 C ATOM 303 O GLY A 19 1.406 -2.198 -5.749 1.00 73.44 O ATOM 0 H GLY A 19 2.642 -3.967 -5.303 1.00 11.45 H new ATOM 0 HA2 GLY A 19 0.430 -4.842 -6.856 1.00 43.34 H new ATOM 0 HA3 GLY A 19 0.080 -4.971 -5.143 1.00 43.34 H new ATOM 307 N PHE A 20 -0.791 -2.593 -5.804 1.00 34.23 N ATOM 308 CA PHE A 20 -1.188 -1.190 -5.755 1.00 53.10 C ATOM 309 C PHE A 20 -2.302 -0.966 -4.771 1.00 13.25 C ATOM 310 O PHE A 20 -3.087 -1.877 -4.488 1.00 32.42 O ATOM 311 CB PHE A 20 -1.609 -0.649 -7.127 1.00 4.12 C ATOM 312 CG PHE A 20 -0.492 -0.294 -8.073 1.00 45.44 C ATOM 313 CD1 PHE A 20 0.193 -1.265 -8.767 1.00 54.10 C ATOM 314 CD2 PHE A 20 -0.148 1.033 -8.273 1.00 44.34 C ATOM 315 CE1 PHE A 20 1.205 -0.930 -9.645 1.00 61.13 C ATOM 316 CE2 PHE A 20 0.862 1.377 -9.147 1.00 14.53 C ATOM 317 CZ PHE A 20 1.539 0.393 -9.835 1.00 30.30 C ATOM 0 H PHE A 20 -1.578 -3.242 -5.831 1.00 34.23 H new ATOM 0 HA PHE A 20 -0.303 -0.643 -5.430 1.00 53.10 H new ATOM 0 HB2 PHE A 20 -2.243 -1.393 -7.609 1.00 4.12 H new ATOM 0 HB3 PHE A 20 -2.222 0.239 -6.972 1.00 4.12 H new ATOM 0 HD1 PHE A 20 -0.064 -2.304 -8.623 1.00 54.10 H new ATOM 0 HD2 PHE A 20 -0.677 1.808 -7.738 1.00 44.34 H new ATOM 0 HE1 PHE A 20 1.734 -1.704 -10.182 1.00 61.13 H new ATOM 0 HE2 PHE A 20 1.122 2.415 -9.292 1.00 14.53 H new ATOM 0 HZ PHE A 20 2.329 0.659 -10.521 1.00 30.30 H new ATOM 327 N ILE A 21 -2.372 0.240 -4.257 1.00 61.13 N ATOM 328 CA ILE A 21 -3.386 0.643 -3.317 1.00 23.34 C ATOM 329 C ILE A 21 -3.884 2.039 -3.700 1.00 21.14 C ATOM 330 O ILE A 21 -3.081 2.912 -4.034 1.00 52.22 O ATOM 331 CB ILE A 21 -2.807 0.706 -1.866 1.00 64.53 C ATOM 332 CG1 ILE A 21 -2.221 -0.655 -1.444 1.00 73.33 C ATOM 333 CG2 ILE A 21 -3.879 1.150 -0.881 1.00 24.02 C ATOM 334 CD1 ILE A 21 -1.572 -0.654 -0.073 1.00 13.15 C ATOM 0 H ILE A 21 -1.711 0.982 -4.487 1.00 61.13 H new ATOM 0 HA ILE A 21 -4.197 -0.085 -3.344 1.00 23.34 H new ATOM 0 HB ILE A 21 -2.001 1.440 -1.858 1.00 64.53 H new ATOM 0 HG12 ILE A 21 -3.016 -1.400 -1.457 1.00 73.33 H new ATOM 0 HG13 ILE A 21 -1.482 -0.965 -2.183 1.00 73.33 H new ATOM 0 HG21 ILE A 21 -3.457 1.188 0.123 1.00 24.02 H new ATOM 0 HG22 ILE A 21 -4.242 2.139 -1.160 1.00 24.02 H new ATOM 0 HG23 ILE A 21 -4.707 0.441 -0.900 1.00 24.02 H new ATOM 0 HD11 ILE A 21 -1.185 -1.649 0.147 1.00 13.15 H new ATOM 0 HD12 ILE A 21 -0.753 0.065 -0.059 1.00 13.15 H new ATOM 0 HD13 ILE A 21 -2.311 -0.377 0.679 1.00 13.15 H new ATOM 346 N GLU A 22 -5.186 2.224 -3.708 1.00 44.42 N ATOM 347 CA GLU A 22 -5.776 3.538 -3.916 1.00 5.42 C ATOM 348 C GLU A 22 -6.982 3.595 -3.045 1.00 42.21 C ATOM 349 O GLU A 22 -7.567 2.554 -2.769 1.00 1.05 O ATOM 350 CB GLU A 22 -6.216 3.783 -5.387 1.00 22.31 C ATOM 351 CG GLU A 22 -7.391 2.929 -5.863 1.00 24.14 C ATOM 352 CD GLU A 22 -7.865 3.297 -7.249 1.00 11.24 C ATOM 353 OE1 GLU A 22 -8.531 4.344 -7.405 1.00 73.20 O ATOM 354 OE2 GLU A 22 -7.597 2.550 -8.204 1.00 61.31 O ATOM 0 H GLU A 22 -5.866 1.476 -3.572 1.00 44.42 H new ATOM 0 HA GLU A 22 -5.034 4.301 -3.681 1.00 5.42 H new ATOM 0 HB2 GLU A 22 -6.482 4.834 -5.500 1.00 22.31 H new ATOM 0 HB3 GLU A 22 -5.364 3.597 -6.041 1.00 22.31 H new ATOM 0 HG2 GLU A 22 -7.098 1.879 -5.852 1.00 24.14 H new ATOM 0 HG3 GLU A 22 -8.218 3.036 -5.162 1.00 24.14 H new ATOM 361 N GLN A 23 -7.366 4.748 -2.577 1.00 4.13 N ATOM 362 CA GLN A 23 -8.600 4.801 -1.847 1.00 20.44 C ATOM 363 C GLN A 23 -9.760 4.603 -2.742 1.00 65.32 C ATOM 364 O GLN A 23 -9.758 5.042 -3.900 1.00 71.04 O ATOM 365 CB GLN A 23 -8.780 5.977 -0.897 1.00 63.34 C ATOM 366 CG GLN A 23 -8.539 7.337 -1.466 1.00 32.32 C ATOM 367 CD GLN A 23 -7.064 7.672 -1.598 1.00 64.23 C ATOM 368 OE1 GLN A 23 -6.434 7.404 -2.626 1.00 43.41 O ATOM 369 NE2 GLN A 23 -6.502 8.237 -0.560 1.00 24.12 N ATOM 0 H GLN A 23 -6.866 5.631 -2.681 1.00 4.13 H new ATOM 0 HA GLN A 23 -8.540 3.957 -1.160 1.00 20.44 H new ATOM 0 HB2 GLN A 23 -9.797 5.946 -0.505 1.00 63.34 H new ATOM 0 HB3 GLN A 23 -8.108 5.837 -0.050 1.00 63.34 H new ATOM 0 HG2 GLN A 23 -9.010 7.403 -2.447 1.00 32.32 H new ATOM 0 HG3 GLN A 23 -9.019 8.081 -0.831 1.00 32.32 H new ATOM 0 HE21 GLN A 23 -7.056 8.443 0.271 1.00 24.12 H new ATOM 0 HE22 GLN A 23 -5.510 8.472 -0.582 1.00 24.12 H new ATOM 378 N ASP A 24 -10.738 3.941 -2.192 1.00 43.25 N ATOM 379 CA ASP A 24 -11.951 3.469 -2.908 1.00 70.05 C ATOM 380 C ASP A 24 -12.571 4.548 -3.789 1.00 31.41 C ATOM 381 O ASP A 24 -12.987 4.280 -4.912 1.00 30.12 O ATOM 382 CB ASP A 24 -12.990 2.961 -1.911 1.00 34.53 C ATOM 383 CG ASP A 24 -14.199 2.328 -2.572 1.00 44.22 C ATOM 384 OD1 ASP A 24 -14.172 1.099 -2.835 1.00 52.53 O ATOM 385 OD2 ASP A 24 -15.202 3.029 -2.831 1.00 64.05 O ATOM 0 H ASP A 24 -10.740 3.693 -1.203 1.00 43.25 H new ATOM 0 HA ASP A 24 -11.634 2.656 -3.562 1.00 70.05 H new ATOM 0 HB2 ASP A 24 -12.522 2.231 -1.250 1.00 34.53 H new ATOM 0 HB3 ASP A 24 -13.320 3.791 -1.286 1.00 34.53 H new ATOM 390 N ASN A 25 -12.580 5.766 -3.293 1.00 14.24 N ATOM 391 CA ASN A 25 -13.153 6.913 -3.982 1.00 65.24 C ATOM 392 C ASN A 25 -12.389 7.286 -5.273 1.00 70.00 C ATOM 393 O ASN A 25 -12.847 8.129 -6.046 1.00 61.40 O ATOM 394 CB ASN A 25 -13.168 8.117 -3.038 1.00 12.20 C ATOM 395 CG ASN A 25 -13.974 7.887 -1.764 1.00 21.10 C ATOM 396 OD1 ASN A 25 -14.093 6.768 -1.256 1.00 31.14 O ATOM 397 ND2 ASN A 25 -14.493 8.924 -1.238 1.00 55.22 N ATOM 0 H ASN A 25 -12.183 5.996 -2.382 1.00 14.24 H new ATOM 0 HA ASN A 25 -14.165 6.636 -4.276 1.00 65.24 H new ATOM 0 HB2 ASN A 25 -12.142 8.369 -2.768 1.00 12.20 H new ATOM 0 HB3 ASN A 25 -13.579 8.977 -3.567 1.00 12.20 H new ATOM 0 HD21 ASN A 25 -15.026 8.844 -0.372 1.00 55.22 H new ATOM 0 HD22 ASN A 25 -14.376 9.834 -1.683 1.00 55.22 H new ATOM 404 N GLY A 26 -11.238 6.678 -5.495 1.00 14.21 N ATOM 405 CA GLY A 26 -10.465 6.969 -6.686 1.00 74.33 C ATOM 406 C GLY A 26 -9.463 8.057 -6.431 1.00 71.52 C ATOM 407 O GLY A 26 -9.392 9.037 -7.178 1.00 73.42 O ATOM 0 H GLY A 26 -10.822 5.986 -4.872 1.00 14.21 H new ATOM 0 HA2 GLY A 26 -9.950 6.067 -7.018 1.00 74.33 H new ATOM 0 HA3 GLY A 26 -11.134 7.269 -7.493 1.00 74.33 H new ATOM 411 N GLY A 27 -8.699 7.892 -5.371 1.00 53.30 N ATOM 412 CA GLY A 27 -7.746 8.901 -4.975 1.00 75.21 C ATOM 413 C GLY A 27 -6.462 8.849 -5.767 1.00 61.11 C ATOM 414 O GLY A 27 -6.398 9.349 -6.897 1.00 61.05 O ATOM 0 H GLY A 27 -8.721 7.068 -4.770 1.00 53.30 H new ATOM 0 HA2 GLY A 27 -8.199 9.886 -5.093 1.00 75.21 H new ATOM 0 HA3 GLY A 27 -7.517 8.780 -3.916 1.00 75.21 H new ATOM 418 N LYS A 28 -5.441 8.250 -5.193 1.00 32.20 N ATOM 419 CA LYS A 28 -4.144 8.181 -5.830 1.00 4.02 C ATOM 420 C LYS A 28 -3.713 6.752 -6.005 1.00 41.14 C ATOM 421 O LYS A 28 -3.962 5.919 -5.150 1.00 54.45 O ATOM 422 CB LYS A 28 -3.103 8.903 -5.008 1.00 13.33 C ATOM 423 CG LYS A 28 -3.430 10.357 -4.740 1.00 74.33 C ATOM 424 CD LYS A 28 -2.331 11.023 -3.961 1.00 63.33 C ATOM 425 CE LYS A 28 -2.652 12.480 -3.694 1.00 2.11 C ATOM 426 NZ LYS A 28 -1.575 13.160 -2.943 1.00 62.12 N ATOM 0 H LYS A 28 -5.486 7.800 -4.279 1.00 32.20 H new ATOM 0 HA LYS A 28 -4.233 8.659 -6.806 1.00 4.02 H new ATOM 0 HB2 LYS A 28 -2.984 8.386 -4.056 1.00 13.33 H new ATOM 0 HB3 LYS A 28 -2.144 8.846 -5.523 1.00 13.33 H new ATOM 0 HG2 LYS A 28 -3.579 10.880 -5.685 1.00 74.33 H new ATOM 0 HG3 LYS A 28 -4.366 10.427 -4.186 1.00 74.33 H new ATOM 0 HD2 LYS A 28 -2.185 10.501 -3.015 1.00 63.33 H new ATOM 0 HD3 LYS A 28 -1.394 10.950 -4.514 1.00 63.33 H new ATOM 0 HE2 LYS A 28 -2.813 12.994 -4.641 1.00 2.11 H new ATOM 0 HE3 LYS A 28 -3.584 12.548 -3.132 1.00 2.11 H new ATOM 0 HZ1 LYS A 28 -1.837 14.154 -2.783 1.00 62.12 H new ATOM 0 HZ2 LYS A 28 -1.438 12.686 -2.027 1.00 62.12 H new ATOM 0 HZ3 LYS A 28 -0.691 13.119 -3.490 1.00 62.12 H new ATOM 440 N ASP A 29 -3.065 6.484 -7.098 1.00 63.43 N ATOM 441 CA ASP A 29 -2.573 5.149 -7.395 1.00 24.42 C ATOM 442 C ASP A 29 -1.140 5.031 -6.948 1.00 23.43 C ATOM 443 O ASP A 29 -0.220 5.490 -7.638 1.00 0.00 O ATOM 444 CB ASP A 29 -2.675 4.809 -8.896 1.00 71.42 C ATOM 445 CG ASP A 29 -4.094 4.729 -9.423 1.00 72.42 C ATOM 446 OD1 ASP A 29 -4.689 5.790 -9.763 1.00 64.14 O ATOM 447 OD2 ASP A 29 -4.636 3.613 -9.529 1.00 44.13 O ATOM 0 H ASP A 29 -2.856 7.177 -7.817 1.00 63.43 H new ATOM 0 HA ASP A 29 -3.199 4.439 -6.855 1.00 24.42 H new ATOM 0 HB2 ASP A 29 -2.131 5.563 -9.465 1.00 71.42 H new ATOM 0 HB3 ASP A 29 -2.179 3.855 -9.075 1.00 71.42 H new ATOM 452 N VAL A 30 -0.952 4.477 -5.794 1.00 43.12 N ATOM 453 CA VAL A 30 0.366 4.282 -5.230 1.00 41.42 C ATOM 454 C VAL A 30 0.642 2.784 -5.079 1.00 13.05 C ATOM 455 O VAL A 30 -0.258 2.015 -4.724 1.00 2.35 O ATOM 456 CB VAL A 30 0.525 5.065 -3.872 1.00 61.14 C ATOM 457 CG1 VAL A 30 -0.626 4.797 -2.935 1.00 52.41 C ATOM 458 CG2 VAL A 30 1.811 4.706 -3.180 1.00 72.42 C ATOM 0 H VAL A 30 -1.711 4.140 -5.201 1.00 43.12 H new ATOM 0 HA VAL A 30 1.114 4.694 -5.908 1.00 41.42 H new ATOM 0 HB VAL A 30 0.535 6.125 -4.127 1.00 61.14 H new ATOM 0 HG11 VAL A 30 -0.480 5.355 -2.010 1.00 52.41 H new ATOM 0 HG12 VAL A 30 -1.558 5.111 -3.405 1.00 52.41 H new ATOM 0 HG13 VAL A 30 -0.673 3.731 -2.712 1.00 52.41 H new ATOM 0 HG21 VAL A 30 1.890 5.263 -2.247 1.00 72.42 H new ATOM 0 HG22 VAL A 30 1.823 3.637 -2.967 1.00 72.42 H new ATOM 0 HG23 VAL A 30 2.653 4.957 -3.825 1.00 72.42 H new ATOM 468 N PHE A 31 1.860 2.355 -5.383 1.00 1.12 N ATOM 469 CA PHE A 31 2.160 0.945 -5.324 1.00 72.35 C ATOM 470 C PHE A 31 2.623 0.541 -3.951 1.00 61.30 C ATOM 471 O PHE A 31 3.284 1.304 -3.267 1.00 41.45 O ATOM 472 CB PHE A 31 3.170 0.494 -6.408 1.00 24.25 C ATOM 473 CG PHE A 31 4.579 1.021 -6.304 1.00 54.05 C ATOM 474 CD1 PHE A 31 4.947 2.195 -6.929 1.00 71.53 C ATOM 475 CD2 PHE A 31 5.546 0.312 -5.600 1.00 32.22 C ATOM 476 CE1 PHE A 31 6.245 2.658 -6.851 1.00 51.03 C ATOM 477 CE2 PHE A 31 6.842 0.769 -5.523 1.00 14.40 C ATOM 478 CZ PHE A 31 7.192 1.947 -6.148 1.00 75.42 C ATOM 0 H PHE A 31 2.636 2.954 -5.666 1.00 1.12 H new ATOM 0 HA PHE A 31 1.226 0.426 -5.538 1.00 72.35 H new ATOM 0 HB2 PHE A 31 3.216 -0.595 -6.394 1.00 24.25 H new ATOM 0 HB3 PHE A 31 2.773 0.784 -7.381 1.00 24.25 H new ATOM 0 HD1 PHE A 31 4.212 2.757 -7.485 1.00 71.53 H new ATOM 0 HD2 PHE A 31 5.276 -0.610 -5.107 1.00 32.22 H new ATOM 0 HE1 PHE A 31 6.519 3.580 -7.342 1.00 51.03 H new ATOM 0 HE2 PHE A 31 7.583 0.206 -4.974 1.00 14.40 H new ATOM 0 HZ PHE A 31 8.207 2.311 -6.086 1.00 75.42 H new ATOM 488 N VAL A 32 2.272 -0.638 -3.550 1.00 10.23 N ATOM 489 CA VAL A 32 2.688 -1.138 -2.278 1.00 51.23 C ATOM 490 C VAL A 32 3.942 -1.984 -2.453 1.00 40.43 C ATOM 491 O VAL A 32 4.029 -2.828 -3.358 1.00 15.53 O ATOM 492 CB VAL A 32 1.563 -1.942 -1.541 1.00 52.02 C ATOM 493 CG1 VAL A 32 1.075 -3.128 -2.354 1.00 1.25 C ATOM 494 CG2 VAL A 32 2.022 -2.392 -0.158 1.00 42.31 C ATOM 0 H VAL A 32 1.692 -1.279 -4.091 1.00 10.23 H new ATOM 0 HA VAL A 32 2.909 -0.282 -1.641 1.00 51.23 H new ATOM 0 HB VAL A 32 0.720 -1.262 -1.421 1.00 52.02 H new ATOM 0 HG11 VAL A 32 0.296 -3.653 -1.801 1.00 1.25 H new ATOM 0 HG12 VAL A 32 0.671 -2.777 -3.304 1.00 1.25 H new ATOM 0 HG13 VAL A 32 1.907 -3.807 -2.542 1.00 1.25 H new ATOM 0 HG21 VAL A 32 1.220 -2.947 0.329 1.00 42.31 H new ATOM 0 HG22 VAL A 32 2.899 -3.032 -0.256 1.00 42.31 H new ATOM 0 HG23 VAL A 32 2.276 -1.519 0.443 1.00 42.31 H new ATOM 504 N HIS A 33 4.914 -1.716 -1.641 1.00 34.34 N ATOM 505 CA HIS A 33 6.140 -2.454 -1.651 1.00 63.41 C ATOM 506 C HIS A 33 6.153 -3.316 -0.400 1.00 61.32 C ATOM 507 O HIS A 33 5.640 -2.894 0.629 1.00 31.24 O ATOM 508 CB HIS A 33 7.320 -1.479 -1.692 1.00 41.02 C ATOM 509 CG HIS A 33 8.625 -2.156 -1.801 1.00 75.31 C ATOM 510 ND1 HIS A 33 8.944 -2.982 -2.830 1.00 52.00 N ATOM 511 CD2 HIS A 33 9.658 -2.192 -0.970 1.00 24.43 C ATOM 512 CE1 HIS A 33 10.115 -3.497 -2.617 1.00 60.30 C ATOM 513 NE2 HIS A 33 10.573 -3.032 -1.501 1.00 60.52 N ATOM 0 H HIS A 33 4.880 -0.971 -0.945 1.00 34.34 H new ATOM 0 HA HIS A 33 6.225 -3.094 -2.530 1.00 63.41 H new ATOM 0 HB2 HIS A 33 7.196 -0.803 -2.538 1.00 41.02 H new ATOM 0 HB3 HIS A 33 7.309 -0.866 -0.790 1.00 41.02 H new ATOM 0 HD1 HIS A 33 8.356 -3.168 -3.642 1.00 52.00 H new ATOM 0 HD2 HIS A 33 9.751 -1.650 -0.041 1.00 24.43 H new ATOM 0 HE1 HIS A 33 10.623 -4.197 -3.264 1.00 60.30 H new ATOM 522 N LYS A 34 6.747 -4.497 -0.467 1.00 61.14 N ATOM 523 CA LYS A 34 6.638 -5.457 0.628 1.00 21.31 C ATOM 524 C LYS A 34 7.367 -4.998 1.888 1.00 2.54 C ATOM 525 O LYS A 34 7.106 -5.494 2.991 1.00 70.21 O ATOM 526 CB LYS A 34 7.038 -6.852 0.195 1.00 64.43 C ATOM 527 CG LYS A 34 6.653 -7.891 1.208 1.00 61.45 C ATOM 528 CD LYS A 34 6.910 -9.258 0.700 1.00 22.13 C ATOM 529 CE LYS A 34 8.390 -9.591 0.612 1.00 61.11 C ATOM 530 NZ LYS A 34 9.053 -9.561 1.925 1.00 64.55 N ATOM 0 H LYS A 34 7.305 -4.815 -1.259 1.00 61.14 H new ATOM 0 HA LYS A 34 5.583 -5.505 0.900 1.00 21.31 H new ATOM 0 HB2 LYS A 34 6.565 -7.084 -0.759 1.00 64.43 H new ATOM 0 HB3 LYS A 34 8.115 -6.886 0.033 1.00 64.43 H new ATOM 0 HG2 LYS A 34 7.215 -7.731 2.128 1.00 61.45 H new ATOM 0 HG3 LYS A 34 5.597 -7.786 1.457 1.00 61.45 H new ATOM 0 HD2 LYS A 34 6.419 -9.980 1.352 1.00 22.13 H new ATOM 0 HD3 LYS A 34 6.460 -9.363 -0.287 1.00 22.13 H new ATOM 0 HE2 LYS A 34 8.511 -10.580 0.170 1.00 61.11 H new ATOM 0 HE3 LYS A 34 8.880 -8.882 -0.055 1.00 61.11 H new ATOM 0 HZ1 LYS A 34 9.962 -10.062 1.866 1.00 64.55 H new ATOM 0 HZ2 LYS A 34 9.219 -8.574 2.208 1.00 64.55 H new ATOM 0 HZ3 LYS A 34 8.447 -10.026 2.631 1.00 64.55 H new ATOM 544 N SER A 35 8.265 -4.030 1.727 1.00 51.10 N ATOM 545 CA SER A 35 8.900 -3.368 2.868 1.00 10.12 C ATOM 546 C SER A 35 7.831 -2.798 3.821 1.00 32.44 C ATOM 547 O SER A 35 8.081 -2.626 4.995 1.00 3.14 O ATOM 548 CB SER A 35 9.837 -2.241 2.393 1.00 52.11 C ATOM 549 OG SER A 35 10.497 -1.610 3.476 1.00 52.04 O ATOM 0 H SER A 35 8.571 -3.685 0.817 1.00 51.10 H new ATOM 0 HA SER A 35 9.493 -4.109 3.404 1.00 10.12 H new ATOM 0 HB2 SER A 35 10.577 -2.650 1.706 1.00 52.11 H new ATOM 0 HB3 SER A 35 9.261 -1.500 1.838 1.00 52.11 H new ATOM 0 HG SER A 35 11.083 -0.903 3.135 1.00 52.04 H new ATOM 555 N ALA A 36 6.635 -2.536 3.296 1.00 74.14 N ATOM 556 CA ALA A 36 5.550 -2.030 4.094 1.00 64.35 C ATOM 557 C ALA A 36 5.025 -3.087 5.037 1.00 22.45 C ATOM 558 O ALA A 36 4.728 -2.799 6.201 1.00 40.31 O ATOM 559 CB ALA A 36 4.446 -1.552 3.226 1.00 44.22 C ATOM 0 H ALA A 36 6.405 -2.672 2.312 1.00 74.14 H new ATOM 0 HA ALA A 36 5.935 -1.197 4.683 1.00 64.35 H new ATOM 0 HB1 ALA A 36 3.634 -1.173 3.846 1.00 44.22 H new ATOM 0 HB2 ALA A 36 4.811 -0.755 2.579 1.00 44.22 H new ATOM 0 HB3 ALA A 36 4.081 -2.377 2.614 1.00 44.22 H new ATOM 565 N VAL A 37 4.903 -4.319 4.536 1.00 10.30 N ATOM 566 CA VAL A 37 4.469 -5.414 5.373 1.00 34.35 C ATOM 567 C VAL A 37 5.551 -5.692 6.372 1.00 64.22 C ATOM 568 O VAL A 37 5.288 -5.883 7.521 1.00 1.41 O ATOM 569 CB VAL A 37 4.169 -6.724 4.587 1.00 12.42 C ATOM 570 CG1 VAL A 37 3.753 -7.836 5.564 1.00 2.24 C ATOM 571 CG2 VAL A 37 3.065 -6.485 3.563 1.00 63.44 C ATOM 0 H VAL A 37 5.098 -4.570 3.567 1.00 10.30 H new ATOM 0 HA VAL A 37 3.534 -5.111 5.844 1.00 34.35 H new ATOM 0 HB VAL A 37 5.071 -7.033 4.060 1.00 12.42 H new ATOM 0 HG11 VAL A 37 3.544 -8.750 5.008 1.00 2.24 H new ATOM 0 HG12 VAL A 37 4.561 -8.019 6.273 1.00 2.24 H new ATOM 0 HG13 VAL A 37 2.858 -7.529 6.105 1.00 2.24 H new ATOM 0 HG21 VAL A 37 2.865 -7.409 3.021 1.00 63.44 H new ATOM 0 HG22 VAL A 37 2.158 -6.161 4.074 1.00 63.44 H new ATOM 0 HG23 VAL A 37 3.381 -5.713 2.861 1.00 63.44 H new ATOM 581 N ASP A 38 6.776 -5.656 5.914 1.00 63.12 N ATOM 582 CA ASP A 38 7.930 -5.898 6.772 1.00 71.23 C ATOM 583 C ASP A 38 8.068 -4.789 7.833 1.00 44.44 C ATOM 584 O ASP A 38 8.624 -5.010 8.908 1.00 13.41 O ATOM 585 CB ASP A 38 9.203 -6.014 5.914 1.00 21.03 C ATOM 586 CG ASP A 38 10.467 -6.325 6.707 1.00 33.42 C ATOM 587 OD1 ASP A 38 10.708 -7.513 7.026 1.00 2.35 O ATOM 588 OD2 ASP A 38 11.254 -5.402 6.980 1.00 44.33 O ATOM 0 H ASP A 38 7.012 -5.460 4.941 1.00 63.12 H new ATOM 0 HA ASP A 38 7.785 -6.839 7.303 1.00 71.23 H new ATOM 0 HB2 ASP A 38 9.055 -6.795 5.168 1.00 21.03 H new ATOM 0 HB3 ASP A 38 9.349 -5.079 5.372 1.00 21.03 H new ATOM 593 N ALA A 39 7.522 -3.607 7.539 1.00 61.00 N ATOM 594 CA ALA A 39 7.606 -2.476 8.460 1.00 21.22 C ATOM 595 C ALA A 39 6.601 -2.560 9.616 1.00 24.11 C ATOM 596 O ALA A 39 6.812 -1.940 10.660 1.00 44.42 O ATOM 597 CB ALA A 39 7.429 -1.161 7.712 1.00 54.33 C ATOM 0 H ALA A 39 7.019 -3.410 6.674 1.00 61.00 H new ATOM 0 HA ALA A 39 8.602 -2.517 8.902 1.00 21.22 H new ATOM 0 HB1 ALA A 39 7.495 -0.331 8.415 1.00 54.33 H new ATOM 0 HB2 ALA A 39 8.212 -1.062 6.960 1.00 54.33 H new ATOM 0 HB3 ALA A 39 6.454 -1.148 7.225 1.00 54.33 H new ATOM 603 N ALA A 40 5.517 -3.304 9.438 1.00 45.50 N ATOM 604 CA ALA A 40 4.479 -3.376 10.483 1.00 52.32 C ATOM 605 C ALA A 40 4.075 -4.817 10.822 1.00 55.01 C ATOM 606 O ALA A 40 3.584 -5.099 11.922 1.00 50.45 O ATOM 607 CB ALA A 40 3.262 -2.569 10.064 1.00 42.44 C ATOM 0 H ALA A 40 5.326 -3.858 8.603 1.00 45.50 H new ATOM 0 HA ALA A 40 4.907 -2.949 11.390 1.00 52.32 H new ATOM 0 HB1 ALA A 40 2.501 -2.628 10.842 1.00 42.44 H new ATOM 0 HB2 ALA A 40 3.549 -1.528 9.916 1.00 42.44 H new ATOM 0 HB3 ALA A 40 2.862 -2.971 9.133 1.00 42.44 H new ATOM 613 N GLY A 41 4.299 -5.705 9.889 1.00 51.52 N ATOM 614 CA GLY A 41 3.941 -7.094 10.024 1.00 31.41 C ATOM 615 C GLY A 41 2.482 -7.326 9.778 1.00 3.55 C ATOM 616 O GLY A 41 1.743 -7.758 10.666 1.00 24.04 O ATOM 0 H GLY A 41 4.743 -5.480 8.999 1.00 51.52 H new ATOM 0 HA2 GLY A 41 4.526 -7.689 9.322 1.00 31.41 H new ATOM 0 HA3 GLY A 41 4.199 -7.439 11.025 1.00 31.41 H new ATOM 620 N LEU A 42 2.064 -7.031 8.578 1.00 74.10 N ATOM 621 CA LEU A 42 0.710 -7.223 8.177 1.00 3.13 C ATOM 622 C LEU A 42 0.579 -8.714 7.832 1.00 70.33 C ATOM 623 O LEU A 42 1.528 -9.307 7.315 1.00 43.32 O ATOM 624 CB LEU A 42 0.465 -6.355 6.928 1.00 13.13 C ATOM 625 CG LEU A 42 -0.960 -5.836 6.671 1.00 34.13 C ATOM 626 CD1 LEU A 42 -1.988 -6.941 6.554 1.00 3.13 C ATOM 627 CD2 LEU A 42 -1.357 -4.828 7.722 1.00 14.52 C ATOM 0 H LEU A 42 2.665 -6.647 7.849 1.00 74.10 H new ATOM 0 HA LEU A 42 -0.010 -6.945 8.946 1.00 3.13 H new ATOM 0 HB2 LEU A 42 1.128 -5.492 6.987 1.00 13.13 H new ATOM 0 HB3 LEU A 42 0.771 -6.933 6.056 1.00 13.13 H new ATOM 0 HG LEU A 42 -0.941 -5.342 5.699 1.00 34.13 H new ATOM 0 HD11 LEU A 42 -2.971 -6.506 6.373 1.00 3.13 H new ATOM 0 HD12 LEU A 42 -1.724 -7.598 5.725 1.00 3.13 H new ATOM 0 HD13 LEU A 42 -2.011 -7.516 7.479 1.00 3.13 H new ATOM 0 HD21 LEU A 42 -2.368 -4.473 7.522 1.00 14.52 H new ATOM 0 HD22 LEU A 42 -1.324 -5.296 8.706 1.00 14.52 H new ATOM 0 HD23 LEU A 42 -0.666 -3.986 7.698 1.00 14.52 H new ATOM 639 N HIS A 43 -0.546 -9.321 8.152 1.00 3.13 N ATOM 640 CA HIS A 43 -0.754 -10.742 7.868 1.00 51.12 C ATOM 641 C HIS A 43 -0.628 -11.042 6.371 1.00 21.02 C ATOM 642 O HIS A 43 0.220 -11.834 5.960 1.00 72.42 O ATOM 643 CB HIS A 43 -2.118 -11.215 8.394 1.00 32.34 C ATOM 644 CG HIS A 43 -2.409 -12.672 8.126 1.00 53.04 C ATOM 645 ND1 HIS A 43 -3.241 -13.101 7.122 1.00 74.11 N ATOM 646 CD2 HIS A 43 -1.970 -13.792 8.744 1.00 41.43 C ATOM 647 CE1 HIS A 43 -3.302 -14.411 7.132 1.00 12.35 C ATOM 648 NE2 HIS A 43 -2.540 -14.856 8.105 1.00 23.22 N ATOM 0 H HIS A 43 -1.334 -8.861 8.608 1.00 3.13 H new ATOM 0 HA HIS A 43 0.029 -11.293 8.388 1.00 51.12 H new ATOM 0 HB2 HIS A 43 -2.162 -11.038 9.469 1.00 32.34 H new ATOM 0 HB3 HIS A 43 -2.901 -10.609 7.939 1.00 32.34 H new ATOM 0 HD2 HIS A 43 -1.295 -13.837 9.586 1.00 41.43 H new ATOM 0 HE1 HIS A 43 -3.881 -15.021 6.455 1.00 12.35 H new ATOM 0 HE2 HIS A 43 -2.397 -15.837 8.345 1.00 23.22 H new ATOM 657 N SER A 44 -1.457 -10.410 5.580 1.00 51.41 N ATOM 658 CA SER A 44 -1.479 -10.625 4.162 1.00 61.22 C ATOM 659 C SER A 44 -2.199 -9.482 3.499 1.00 43.14 C ATOM 660 O SER A 44 -2.914 -8.741 4.164 1.00 12.34 O ATOM 661 CB SER A 44 -2.195 -11.952 3.857 1.00 41.44 C ATOM 662 OG SER A 44 -3.505 -11.987 4.452 1.00 40.34 O ATOM 0 H SER A 44 -2.140 -9.727 5.908 1.00 51.41 H new ATOM 0 HA SER A 44 -0.460 -10.676 3.778 1.00 61.22 H new ATOM 0 HB2 SER A 44 -2.279 -12.083 2.778 1.00 41.44 H new ATOM 0 HB3 SER A 44 -1.600 -12.784 4.233 1.00 41.44 H new ATOM 0 HG SER A 44 -3.437 -12.316 5.373 1.00 40.34 H new ATOM 668 N LEU A 45 -1.993 -9.314 2.223 1.00 61.03 N ATOM 669 CA LEU A 45 -2.714 -8.324 1.481 1.00 22.13 C ATOM 670 C LEU A 45 -3.391 -9.006 0.351 1.00 42.20 C ATOM 671 O LEU A 45 -2.794 -9.839 -0.335 1.00 25.32 O ATOM 672 CB LEU A 45 -1.811 -7.255 0.910 1.00 12.00 C ATOM 673 CG LEU A 45 -0.928 -6.487 1.884 1.00 22.40 C ATOM 674 CD1 LEU A 45 -0.024 -5.547 1.113 1.00 41.33 C ATOM 675 CD2 LEU A 45 -1.783 -5.700 2.872 1.00 31.53 C ATOM 0 H LEU A 45 -1.326 -9.856 1.673 1.00 61.03 H new ATOM 0 HA LEU A 45 -3.417 -7.840 2.159 1.00 22.13 H new ATOM 0 HB2 LEU A 45 -1.165 -7.722 0.167 1.00 12.00 H new ATOM 0 HB3 LEU A 45 -2.435 -6.534 0.382 1.00 12.00 H new ATOM 0 HG LEU A 45 -0.319 -7.195 2.445 1.00 22.40 H new ATOM 0 HD11 LEU A 45 0.608 -4.997 1.810 1.00 41.33 H new ATOM 0 HD12 LEU A 45 0.602 -6.122 0.431 1.00 41.33 H new ATOM 0 HD13 LEU A 45 -0.631 -4.845 0.542 1.00 41.33 H new ATOM 0 HD21 LEU A 45 -1.136 -5.157 3.561 1.00 31.53 H new ATOM 0 HD22 LEU A 45 -2.409 -4.993 2.328 1.00 31.53 H new ATOM 0 HD23 LEU A 45 -2.416 -6.387 3.434 1.00 31.53 H new ATOM 687 N GLU A 46 -4.592 -8.682 0.176 1.00 74.45 N ATOM 688 CA GLU A 46 -5.401 -9.203 -0.860 1.00 52.52 C ATOM 689 C GLU A 46 -6.368 -8.139 -1.289 1.00 22.50 C ATOM 690 O GLU A 46 -6.735 -7.266 -0.484 1.00 60.55 O ATOM 691 CB GLU A 46 -6.106 -10.540 -0.462 1.00 70.21 C ATOM 692 CG GLU A 46 -6.911 -10.541 0.852 1.00 14.22 C ATOM 693 CD GLU A 46 -6.048 -10.413 2.107 1.00 72.25 C ATOM 694 OE1 GLU A 46 -5.469 -11.438 2.564 1.00 54.14 O ATOM 695 OE2 GLU A 46 -5.965 -9.311 2.671 1.00 23.45 O ATOM 0 H GLU A 46 -5.078 -8.013 0.773 1.00 74.45 H new ATOM 0 HA GLU A 46 -4.769 -9.471 -1.707 1.00 52.52 H new ATOM 0 HB2 GLU A 46 -6.779 -10.823 -1.272 1.00 70.21 H new ATOM 0 HB3 GLU A 46 -5.345 -11.317 -0.394 1.00 70.21 H new ATOM 0 HG2 GLU A 46 -7.626 -9.719 0.829 1.00 14.22 H new ATOM 0 HG3 GLU A 46 -7.488 -11.464 0.912 1.00 14.22 H new ATOM 702 N GLU A 47 -6.755 -8.168 -2.539 1.00 62.21 N ATOM 703 CA GLU A 47 -7.599 -7.131 -3.086 1.00 53.31 C ATOM 704 C GLU A 47 -8.963 -7.073 -2.440 1.00 74.23 C ATOM 705 O GLU A 47 -9.492 -8.086 -1.944 1.00 30.44 O ATOM 706 CB GLU A 47 -7.697 -7.163 -4.621 1.00 34.23 C ATOM 707 CG GLU A 47 -8.194 -8.457 -5.253 1.00 51.31 C ATOM 708 CD GLU A 47 -7.233 -9.627 -5.108 1.00 34.34 C ATOM 709 OE1 GLU A 47 -6.153 -9.616 -5.737 1.00 41.11 O ATOM 710 OE2 GLU A 47 -7.533 -10.563 -4.349 1.00 45.43 O ATOM 0 H GLU A 47 -6.499 -8.901 -3.201 1.00 62.21 H new ATOM 0 HA GLU A 47 -7.091 -6.201 -2.832 1.00 53.31 H new ATOM 0 HB2 GLU A 47 -8.359 -6.356 -4.936 1.00 34.23 H new ATOM 0 HB3 GLU A 47 -6.710 -6.944 -5.029 1.00 34.23 H new ATOM 0 HG2 GLU A 47 -9.149 -8.726 -4.801 1.00 51.31 H new ATOM 0 HG3 GLU A 47 -8.381 -8.283 -6.313 1.00 51.31 H new ATOM 717 N GLY A 48 -9.514 -5.886 -2.433 1.00 74.31 N ATOM 718 CA GLY A 48 -10.801 -5.645 -1.809 1.00 74.53 C ATOM 719 C GLY A 48 -10.676 -5.104 -0.388 1.00 12.30 C ATOM 720 O GLY A 48 -11.588 -4.452 0.119 1.00 41.41 O ATOM 0 H GLY A 48 -9.090 -5.060 -2.856 1.00 74.31 H new ATOM 0 HA2 GLY A 48 -11.366 -4.936 -2.414 1.00 74.53 H new ATOM 0 HA3 GLY A 48 -11.371 -6.574 -1.791 1.00 74.53 H new ATOM 724 N GLN A 49 -9.544 -5.365 0.245 1.00 34.42 N ATOM 725 CA GLN A 49 -9.298 -4.934 1.612 1.00 23.12 C ATOM 726 C GLN A 49 -9.008 -3.461 1.708 1.00 3.35 C ATOM 727 O GLN A 49 -8.243 -2.923 0.916 1.00 5.40 O ATOM 728 CB GLN A 49 -8.134 -5.710 2.216 1.00 51.23 C ATOM 729 CG GLN A 49 -8.429 -7.143 2.622 1.00 24.42 C ATOM 730 CD GLN A 49 -9.187 -7.298 3.952 1.00 64.24 C ATOM 731 OE1 GLN A 49 -10.046 -6.373 4.292 1.00 33.21 O flip ATOM 732 NE2 GLN A 49 -8.997 -8.286 4.667 1.00 31.41 N flip ATOM 0 H GLN A 49 -8.770 -5.881 -0.174 1.00 34.42 H new ATOM 0 HA GLN A 49 -10.213 -5.136 2.169 1.00 23.12 H new ATOM 0 HB2 GLN A 49 -7.316 -5.718 1.496 1.00 51.23 H new ATOM 0 HB3 GLN A 49 -7.780 -5.170 3.094 1.00 51.23 H new ATOM 0 HG2 GLN A 49 -9.012 -7.616 1.832 1.00 24.42 H new ATOM 0 HG3 GLN A 49 -7.487 -7.686 2.692 1.00 24.42 H new ATOM 0 HE21 GLN A 49 -8.323 -8.997 4.385 1.00 31.41 H new ATOM 0 HE22 GLN A 49 -9.514 -8.391 5.540 1.00 31.41 H new ATOM 741 N ASP A 50 -9.608 -2.819 2.682 1.00 4.32 N ATOM 742 CA ASP A 50 -9.327 -1.428 2.950 1.00 2.21 C ATOM 743 C ASP A 50 -8.129 -1.371 3.854 1.00 34.32 C ATOM 744 O ASP A 50 -8.036 -2.133 4.839 1.00 4.34 O ATOM 745 CB ASP A 50 -10.511 -0.690 3.594 1.00 32.23 C ATOM 746 CG ASP A 50 -11.723 -0.536 2.704 1.00 53.41 C ATOM 747 OD1 ASP A 50 -11.830 0.483 1.988 1.00 23.33 O ATOM 748 OD2 ASP A 50 -12.616 -1.421 2.736 1.00 33.23 O ATOM 0 H ASP A 50 -10.297 -3.240 3.305 1.00 4.32 H new ATOM 0 HA ASP A 50 -9.137 -0.923 2.003 1.00 2.21 H new ATOM 0 HB2 ASP A 50 -10.806 -1.225 4.497 1.00 32.23 H new ATOM 0 HB3 ASP A 50 -10.178 0.300 3.905 1.00 32.23 H new ATOM 753 N VAL A 51 -7.231 -0.501 3.558 1.00 22.13 N ATOM 754 CA VAL A 51 -5.987 -0.444 4.235 1.00 61.41 C ATOM 755 C VAL A 51 -5.550 1.007 4.464 1.00 60.04 C ATOM 756 O VAL A 51 -5.922 1.909 3.729 1.00 31.13 O ATOM 757 CB VAL A 51 -4.917 -1.244 3.438 1.00 33.30 C ATOM 758 CG1 VAL A 51 -4.676 -0.658 2.049 1.00 32.05 C ATOM 759 CG2 VAL A 51 -3.625 -1.402 4.207 1.00 50.13 C ATOM 0 H VAL A 51 -7.342 0.202 2.827 1.00 22.13 H new ATOM 0 HA VAL A 51 -6.098 -0.903 5.218 1.00 61.41 H new ATOM 0 HB VAL A 51 -5.326 -2.244 3.298 1.00 33.30 H new ATOM 0 HG11 VAL A 51 -3.922 -1.250 1.530 1.00 32.05 H new ATOM 0 HG12 VAL A 51 -5.606 -0.676 1.480 1.00 32.05 H new ATOM 0 HG13 VAL A 51 -4.329 0.371 2.143 1.00 32.05 H new ATOM 0 HG21 VAL A 51 -2.912 -1.967 3.607 1.00 50.13 H new ATOM 0 HG22 VAL A 51 -3.212 -0.418 4.431 1.00 50.13 H new ATOM 0 HG23 VAL A 51 -3.819 -1.934 5.138 1.00 50.13 H new ATOM 769 N ILE A 52 -4.808 1.199 5.498 1.00 52.31 N ATOM 770 CA ILE A 52 -4.290 2.478 5.873 1.00 74.41 C ATOM 771 C ILE A 52 -2.779 2.409 5.777 1.00 33.54 C ATOM 772 O ILE A 52 -2.172 1.430 6.231 1.00 71.44 O ATOM 773 CB ILE A 52 -4.707 2.821 7.327 1.00 21.00 C ATOM 774 CG1 ILE A 52 -6.237 2.795 7.446 1.00 72.11 C ATOM 775 CG2 ILE A 52 -4.155 4.191 7.739 1.00 1.42 C ATOM 776 CD1 ILE A 52 -6.757 2.985 8.849 1.00 44.11 C ATOM 0 H ILE A 52 -4.533 0.448 6.131 1.00 52.31 H new ATOM 0 HA ILE A 52 -4.684 3.252 5.214 1.00 74.41 H new ATOM 0 HB ILE A 52 -4.288 2.074 8.001 1.00 21.00 H new ATOM 0 HG12 ILE A 52 -6.652 3.576 6.809 1.00 72.11 H new ATOM 0 HG13 ILE A 52 -6.603 1.843 7.062 1.00 72.11 H new ATOM 0 HG21 ILE A 52 -4.459 4.413 8.762 1.00 1.42 H new ATOM 0 HG22 ILE A 52 -3.067 4.178 7.678 1.00 1.42 H new ATOM 0 HG23 ILE A 52 -4.547 4.957 7.070 1.00 1.42 H new ATOM 0 HD11 ILE A 52 -7.846 2.953 8.841 1.00 44.11 H new ATOM 0 HD12 ILE A 52 -6.375 2.190 9.489 1.00 44.11 H new ATOM 0 HD13 ILE A 52 -6.425 3.950 9.232 1.00 44.11 H new ATOM 788 N PHE A 53 -2.177 3.399 5.187 1.00 11.15 N ATOM 789 CA PHE A 53 -0.748 3.409 5.010 1.00 60.12 C ATOM 790 C PHE A 53 -0.230 4.801 5.135 1.00 61.43 C ATOM 791 O PHE A 53 -0.990 5.732 5.392 1.00 64.41 O ATOM 792 CB PHE A 53 -0.365 2.845 3.624 1.00 42.23 C ATOM 793 CG PHE A 53 -0.981 3.561 2.446 1.00 61.10 C ATOM 794 CD1 PHE A 53 -2.265 3.264 2.028 1.00 4.04 C ATOM 795 CD2 PHE A 53 -0.261 4.517 1.749 1.00 52.44 C ATOM 796 CE1 PHE A 53 -2.816 3.902 0.943 1.00 61.44 C ATOM 797 CE2 PHE A 53 -0.808 5.156 0.667 1.00 11.51 C ATOM 798 CZ PHE A 53 -2.086 4.848 0.263 1.00 34.54 C ATOM 0 H PHE A 53 -2.656 4.220 4.816 1.00 11.15 H new ATOM 0 HA PHE A 53 -0.304 2.781 5.782 1.00 60.12 H new ATOM 0 HB2 PHE A 53 0.720 2.879 3.523 1.00 42.23 H new ATOM 0 HB3 PHE A 53 -0.656 1.795 3.584 1.00 42.23 H new ATOM 0 HD1 PHE A 53 -2.841 2.522 2.560 1.00 4.04 H new ATOM 0 HD2 PHE A 53 0.743 4.762 2.062 1.00 52.44 H new ATOM 0 HE1 PHE A 53 -3.820 3.661 0.625 1.00 61.44 H new ATOM 0 HE2 PHE A 53 -0.236 5.900 0.132 1.00 11.51 H new ATOM 0 HZ PHE A 53 -2.517 5.350 -0.590 1.00 34.54 H new ATOM 808 N ASP A 54 1.038 4.949 4.958 1.00 64.42 N ATOM 809 CA ASP A 54 1.648 6.235 4.926 1.00 31.12 C ATOM 810 C ASP A 54 2.354 6.340 3.637 1.00 61.32 C ATOM 811 O ASP A 54 2.856 5.335 3.113 1.00 23.34 O ATOM 812 CB ASP A 54 2.620 6.466 6.093 1.00 15.33 C ATOM 813 CG ASP A 54 1.936 6.538 7.436 1.00 54.01 C ATOM 814 OD1 ASP A 54 1.520 7.635 7.853 1.00 54.21 O ATOM 815 OD2 ASP A 54 1.811 5.515 8.103 1.00 15.33 O ATOM 0 H ASP A 54 1.688 4.173 4.830 1.00 64.42 H new ATOM 0 HA ASP A 54 0.880 7.001 5.030 1.00 31.12 H new ATOM 0 HB2 ASP A 54 3.354 5.660 6.110 1.00 15.33 H new ATOM 0 HB3 ASP A 54 3.168 7.393 5.922 1.00 15.33 H new ATOM 820 N LEU A 55 2.373 7.491 3.088 1.00 73.51 N ATOM 821 CA LEU A 55 3.010 7.677 1.848 1.00 65.40 C ATOM 822 C LEU A 55 4.154 8.606 1.985 1.00 1.43 C ATOM 823 O LEU A 55 4.004 9.812 2.223 1.00 32.33 O ATOM 824 CB LEU A 55 2.034 8.130 0.786 1.00 71.44 C ATOM 825 CG LEU A 55 2.599 8.483 -0.598 1.00 62.34 C ATOM 826 CD1 LEU A 55 3.442 7.351 -1.133 1.00 41.05 C ATOM 827 CD2 LEU A 55 1.456 8.768 -1.563 1.00 22.03 C ATOM 0 H LEU A 55 1.948 8.329 3.485 1.00 73.51 H new ATOM 0 HA LEU A 55 3.404 6.715 1.519 1.00 65.40 H new ATOM 0 HB2 LEU A 55 1.292 7.343 0.655 1.00 71.44 H new ATOM 0 HB3 LEU A 55 1.507 9.005 1.166 1.00 71.44 H new ATOM 0 HG LEU A 55 3.225 9.370 -0.501 1.00 62.34 H new ATOM 0 HD11 LEU A 55 3.833 7.621 -2.114 1.00 41.05 H new ATOM 0 HD12 LEU A 55 4.271 7.161 -0.452 1.00 41.05 H new ATOM 0 HD13 LEU A 55 2.831 6.452 -1.220 1.00 41.05 H new ATOM 0 HD21 LEU A 55 1.861 9.018 -2.543 1.00 22.03 H new ATOM 0 HD22 LEU A 55 0.822 7.885 -1.647 1.00 22.03 H new ATOM 0 HD23 LEU A 55 0.865 9.605 -1.190 1.00 22.03 H new ATOM 839 N GLU A 56 5.272 8.041 1.869 1.00 74.43 N ATOM 840 CA GLU A 56 6.496 8.737 1.901 1.00 5.40 C ATOM 841 C GLU A 56 7.162 8.415 0.596 1.00 15.43 C ATOM 842 O GLU A 56 7.115 7.267 0.146 1.00 74.22 O ATOM 843 CB GLU A 56 7.332 8.290 3.096 1.00 30.44 C ATOM 844 CG GLU A 56 8.567 9.135 3.338 1.00 64.12 C ATOM 845 CD GLU A 56 9.314 8.705 4.567 1.00 13.12 C ATOM 846 OE1 GLU A 56 8.854 9.003 5.691 1.00 34.13 O ATOM 847 OE2 GLU A 56 10.371 8.069 4.438 1.00 2.12 O ATOM 0 H GLU A 56 5.377 7.034 1.743 1.00 74.43 H new ATOM 0 HA GLU A 56 6.364 9.813 2.018 1.00 5.40 H new ATOM 0 HB2 GLU A 56 6.709 8.312 3.990 1.00 30.44 H new ATOM 0 HB3 GLU A 56 7.637 7.254 2.945 1.00 30.44 H new ATOM 0 HG2 GLU A 56 9.226 9.069 2.472 1.00 64.12 H new ATOM 0 HG3 GLU A 56 8.276 10.181 3.438 1.00 64.12 H new ATOM 854 N GLU A 57 7.732 9.383 -0.029 1.00 34.10 N ATOM 855 CA GLU A 57 8.228 9.185 -1.346 1.00 51.21 C ATOM 856 C GLU A 57 9.627 8.623 -1.415 1.00 41.32 C ATOM 857 O GLU A 57 10.534 9.018 -0.671 1.00 42.23 O ATOM 858 CB GLU A 57 8.054 10.429 -2.192 1.00 73.13 C ATOM 859 CG GLU A 57 6.594 10.785 -2.383 1.00 52.04 C ATOM 860 CD GLU A 57 6.386 12.009 -3.208 1.00 72.43 C ATOM 861 OE1 GLU A 57 6.366 11.907 -4.443 1.00 70.01 O ATOM 862 OE2 GLU A 57 6.210 13.095 -2.634 1.00 51.13 O ATOM 0 H GLU A 57 7.867 10.321 0.349 1.00 34.10 H new ATOM 0 HA GLU A 57 7.609 8.398 -1.777 1.00 51.21 H new ATOM 0 HB2 GLU A 57 8.572 11.264 -1.720 1.00 73.13 H new ATOM 0 HB3 GLU A 57 8.520 10.274 -3.165 1.00 73.13 H new ATOM 0 HG2 GLU A 57 6.082 9.946 -2.855 1.00 52.04 H new ATOM 0 HG3 GLU A 57 6.133 10.931 -1.406 1.00 52.04 H new ATOM 869 N LYS A 58 9.769 7.685 -2.313 1.00 3.10 N ATOM 870 CA LYS A 58 11.005 7.039 -2.639 1.00 42.55 C ATOM 871 C LYS A 58 11.708 7.962 -3.608 1.00 12.42 C ATOM 872 O LYS A 58 11.593 7.796 -4.829 1.00 10.44 O ATOM 873 CB LYS A 58 10.682 5.681 -3.311 1.00 53.54 C ATOM 874 CG LYS A 58 11.861 4.814 -3.750 1.00 71.45 C ATOM 875 CD LYS A 58 12.688 4.321 -2.577 1.00 33.11 C ATOM 876 CE LYS A 58 13.769 3.357 -3.051 1.00 50.42 C ATOM 877 NZ LYS A 58 14.593 2.844 -1.940 1.00 51.54 N ATOM 0 H LYS A 58 8.984 7.336 -2.863 1.00 3.10 H new ATOM 0 HA LYS A 58 11.630 6.848 -1.766 1.00 42.55 H new ATOM 0 HB2 LYS A 58 10.076 5.098 -2.618 1.00 53.54 H new ATOM 0 HB3 LYS A 58 10.064 5.878 -4.187 1.00 53.54 H new ATOM 0 HG2 LYS A 58 11.489 3.958 -4.313 1.00 71.45 H new ATOM 0 HG3 LYS A 58 12.498 5.387 -4.424 1.00 71.45 H new ATOM 0 HD2 LYS A 58 13.147 5.168 -2.067 1.00 33.11 H new ATOM 0 HD3 LYS A 58 12.042 3.824 -1.853 1.00 33.11 H new ATOM 0 HE2 LYS A 58 13.303 2.520 -3.570 1.00 50.42 H new ATOM 0 HE3 LYS A 58 14.411 3.862 -3.773 1.00 50.42 H new ATOM 0 HZ1 LYS A 58 15.313 2.193 -2.314 1.00 51.54 H new ATOM 0 HZ2 LYS A 58 15.061 3.639 -1.459 1.00 51.54 H new ATOM 0 HZ3 LYS A 58 13.987 2.338 -1.263 1.00 51.54 H new ATOM 891 N GLN A 59 12.336 8.997 -3.053 1.00 1.21 N ATOM 892 CA GLN A 59 12.947 10.082 -3.813 1.00 14.41 C ATOM 893 C GLN A 59 11.852 10.902 -4.518 1.00 3.12 C ATOM 894 O GLN A 59 11.425 11.946 -4.015 1.00 35.24 O ATOM 895 CB GLN A 59 13.999 9.569 -4.803 1.00 34.52 C ATOM 896 CG GLN A 59 14.660 10.642 -5.638 1.00 65.52 C ATOM 897 CD GLN A 59 15.648 10.058 -6.604 1.00 54.43 C ATOM 898 OE1 GLN A 59 16.830 9.911 -6.289 1.00 21.34 O ATOM 899 NE2 GLN A 59 15.181 9.690 -7.766 1.00 51.15 N ATOM 0 H GLN A 59 12.435 9.105 -2.044 1.00 1.21 H new ATOM 0 HA GLN A 59 13.477 10.733 -3.118 1.00 14.41 H new ATOM 0 HB2 GLN A 59 14.770 9.034 -4.248 1.00 34.52 H new ATOM 0 HB3 GLN A 59 13.528 8.847 -5.471 1.00 34.52 H new ATOM 0 HG2 GLN A 59 13.899 11.198 -6.186 1.00 65.52 H new ATOM 0 HG3 GLN A 59 15.166 11.353 -4.984 1.00 65.52 H new ATOM 0 HE21 GLN A 59 14.195 9.830 -7.987 1.00 51.15 H new ATOM 0 HE22 GLN A 59 15.802 9.263 -8.453 1.00 51.15 H new ATOM 908 N GLY A 60 11.375 10.392 -5.633 1.00 51.45 N ATOM 909 CA GLY A 60 10.322 11.026 -6.363 1.00 44.42 C ATOM 910 C GLY A 60 9.284 10.014 -6.792 1.00 40.13 C ATOM 911 O GLY A 60 8.375 10.326 -7.556 1.00 12.53 O ATOM 0 H GLY A 60 11.713 9.525 -6.051 1.00 51.45 H new ATOM 0 HA2 GLY A 60 9.855 11.793 -5.745 1.00 44.42 H new ATOM 0 HA3 GLY A 60 10.732 11.528 -7.240 1.00 44.42 H new ATOM 915 N LYS A 61 9.428 8.795 -6.315 1.00 15.21 N ATOM 916 CA LYS A 61 8.501 7.739 -6.628 1.00 44.41 C ATOM 917 C LYS A 61 7.589 7.566 -5.397 1.00 11.12 C ATOM 918 O LYS A 61 7.983 7.902 -4.297 1.00 1.22 O ATOM 919 CB LYS A 61 9.287 6.445 -6.887 1.00 72.04 C ATOM 920 CG LYS A 61 8.597 5.394 -7.758 1.00 21.34 C ATOM 921 CD LYS A 61 8.800 5.654 -9.270 1.00 32.35 C ATOM 922 CE LYS A 61 8.138 6.920 -9.802 1.00 12.00 C ATOM 923 NZ LYS A 61 6.668 6.881 -9.682 1.00 52.42 N ATOM 0 H LYS A 61 10.192 8.513 -5.700 1.00 15.21 H new ATOM 0 HA LYS A 61 7.911 7.970 -7.515 1.00 44.41 H new ATOM 0 HB2 LYS A 61 10.235 6.709 -7.356 1.00 72.04 H new ATOM 0 HB3 LYS A 61 9.523 5.990 -5.925 1.00 72.04 H new ATOM 0 HG2 LYS A 61 8.985 4.407 -7.507 1.00 21.34 H new ATOM 0 HG3 LYS A 61 7.530 5.384 -7.534 1.00 21.34 H new ATOM 0 HD2 LYS A 61 9.869 5.709 -9.473 1.00 32.35 H new ATOM 0 HD3 LYS A 61 8.413 4.799 -9.825 1.00 32.35 H new ATOM 0 HE2 LYS A 61 8.521 7.783 -9.257 1.00 12.00 H new ATOM 0 HE3 LYS A 61 8.411 7.057 -10.848 1.00 12.00 H new ATOM 0 HZ1 LYS A 61 6.239 7.101 -10.603 1.00 52.42 H new ATOM 0 HZ2 LYS A 61 6.370 5.932 -9.378 1.00 52.42 H new ATOM 0 HZ3 LYS A 61 6.358 7.583 -8.980 1.00 52.42 H new ATOM 937 N ALA A 62 6.415 7.047 -5.574 1.00 4.30 N ATOM 938 CA ALA A 62 5.465 6.924 -4.474 1.00 1.10 C ATOM 939 C ALA A 62 5.136 5.471 -4.197 1.00 11.23 C ATOM 940 O ALA A 62 4.652 4.759 -5.085 1.00 70.50 O ATOM 941 CB ALA A 62 4.186 7.690 -4.803 1.00 71.32 C ATOM 0 H ALA A 62 6.075 6.695 -6.469 1.00 4.30 H new ATOM 0 HA ALA A 62 5.923 7.347 -3.580 1.00 1.10 H new ATOM 0 HB1 ALA A 62 3.481 7.593 -3.977 1.00 71.32 H new ATOM 0 HB2 ALA A 62 4.422 8.743 -4.958 1.00 71.32 H new ATOM 0 HB3 ALA A 62 3.740 7.281 -5.710 1.00 71.32 H new ATOM 947 N TYR A 63 5.383 5.036 -2.977 1.00 31.12 N ATOM 948 CA TYR A 63 5.080 3.681 -2.567 1.00 2.51 C ATOM 949 C TYR A 63 4.416 3.688 -1.195 1.00 12.43 C ATOM 950 O TYR A 63 4.750 4.503 -0.331 1.00 41.22 O ATOM 951 CB TYR A 63 6.332 2.775 -2.578 1.00 60.13 C ATOM 952 CG TYR A 63 7.451 3.111 -1.590 1.00 30.31 C ATOM 953 CD1 TYR A 63 7.949 4.401 -1.442 1.00 40.24 C ATOM 954 CD2 TYR A 63 8.004 2.114 -0.804 1.00 64.21 C ATOM 955 CE1 TYR A 63 8.962 4.677 -0.540 1.00 54.54 C ATOM 956 CE2 TYR A 63 9.015 2.382 0.096 1.00 43.43 C ATOM 957 CZ TYR A 63 9.490 3.664 0.223 1.00 21.34 C ATOM 958 OH TYR A 63 10.503 3.932 1.119 1.00 73.53 O ATOM 0 H TYR A 63 5.798 5.611 -2.244 1.00 31.12 H new ATOM 0 HA TYR A 63 4.385 3.259 -3.293 1.00 2.51 H new ATOM 0 HB2 TYR A 63 6.009 1.752 -2.387 1.00 60.13 H new ATOM 0 HB3 TYR A 63 6.753 2.794 -3.583 1.00 60.13 H new ATOM 0 HD1 TYR A 63 7.539 5.201 -2.041 1.00 40.24 H new ATOM 0 HD2 TYR A 63 7.635 1.103 -0.898 1.00 64.21 H new ATOM 0 HE1 TYR A 63 9.336 5.685 -0.436 1.00 54.54 H new ATOM 0 HE2 TYR A 63 9.431 1.587 0.698 1.00 43.43 H new ATOM 0 HH TYR A 63 10.761 3.105 1.578 1.00 73.53 H new ATOM 968 N ALA A 64 3.476 2.809 -1.031 1.00 61.10 N ATOM 969 CA ALA A 64 2.702 2.692 0.194 1.00 52.11 C ATOM 970 C ALA A 64 3.472 1.904 1.213 1.00 23.41 C ATOM 971 O ALA A 64 3.950 0.788 0.935 1.00 51.20 O ATOM 972 CB ALA A 64 1.358 2.032 -0.097 1.00 10.15 C ATOM 0 H ALA A 64 3.211 2.135 -1.749 1.00 61.10 H new ATOM 0 HA ALA A 64 2.515 3.688 0.596 1.00 52.11 H new ATOM 0 HB1 ALA A 64 0.786 1.949 0.827 1.00 10.15 H new ATOM 0 HB2 ALA A 64 0.803 2.637 -0.814 1.00 10.15 H new ATOM 0 HB3 ALA A 64 1.523 1.038 -0.512 1.00 10.15 H new ATOM 978 N VAL A 65 3.600 2.481 2.381 1.00 50.11 N ATOM 979 CA VAL A 65 4.342 1.875 3.475 1.00 73.04 C ATOM 980 C VAL A 65 3.566 1.952 4.761 1.00 40.14 C ATOM 981 O VAL A 65 2.553 2.639 4.830 1.00 13.21 O ATOM 982 CB VAL A 65 5.752 2.510 3.697 1.00 41.11 C ATOM 983 CG1 VAL A 65 6.645 2.284 2.504 1.00 33.13 C ATOM 984 CG2 VAL A 65 5.655 4.000 4.013 1.00 61.11 C ATOM 0 H VAL A 65 3.193 3.388 2.608 1.00 50.11 H new ATOM 0 HA VAL A 65 4.489 0.835 3.184 1.00 73.04 H new ATOM 0 HB VAL A 65 6.195 2.012 4.559 1.00 41.11 H new ATOM 0 HG11 VAL A 65 7.619 2.737 2.688 1.00 33.13 H new ATOM 0 HG12 VAL A 65 6.768 1.214 2.339 1.00 33.13 H new ATOM 0 HG13 VAL A 65 6.195 2.738 1.621 1.00 33.13 H new ATOM 0 HG21 VAL A 65 6.656 4.406 4.161 1.00 61.11 H new ATOM 0 HG22 VAL A 65 5.172 4.517 3.184 1.00 61.11 H new ATOM 0 HG23 VAL A 65 5.068 4.142 4.920 1.00 61.11 H new ATOM 994 N ASN A 66 4.057 1.233 5.775 1.00 54.04 N ATOM 995 CA ASN A 66 3.477 1.232 7.128 1.00 50.04 C ATOM 996 C ASN A 66 2.006 0.812 7.080 1.00 2.52 C ATOM 997 O ASN A 66 1.114 1.595 7.386 1.00 23.54 O ATOM 998 CB ASN A 66 3.609 2.619 7.774 1.00 52.01 C ATOM 999 CG ASN A 66 3.337 2.600 9.266 1.00 50.43 C ATOM 1000 OD1 ASN A 66 3.578 1.598 9.936 1.00 5.24 O ATOM 1001 ND2 ASN A 66 2.845 3.682 9.788 1.00 53.43 N ATOM 0 H ASN A 66 4.874 0.630 5.683 1.00 54.04 H new ATOM 0 HA ASN A 66 4.027 0.512 7.734 1.00 50.04 H new ATOM 0 HB2 ASN A 66 4.614 3.003 7.597 1.00 52.01 H new ATOM 0 HB3 ASN A 66 2.915 3.307 7.291 1.00 52.01 H new ATOM 0 HD21 ASN A 66 2.645 3.721 10.787 1.00 53.43 H new ATOM 0 HD22 ASN A 66 2.659 4.493 9.199 1.00 53.43 H new ATOM 1008 N LEU A 67 1.756 -0.396 6.658 1.00 54.12 N ATOM 1009 CA LEU A 67 0.390 -0.815 6.425 1.00 74.01 C ATOM 1010 C LEU A 67 -0.348 -1.253 7.671 1.00 51.02 C ATOM 1011 O LEU A 67 0.198 -1.930 8.546 1.00 11.32 O ATOM 1012 CB LEU A 67 0.296 -1.923 5.401 1.00 31.01 C ATOM 1013 CG LEU A 67 0.875 -1.673 4.020 1.00 13.13 C ATOM 1014 CD1 LEU A 67 0.465 -2.769 3.138 1.00 11.15 C ATOM 1015 CD2 LEU A 67 0.439 -0.359 3.442 1.00 63.43 C ATOM 0 H LEU A 67 2.465 -1.104 6.469 1.00 54.12 H new ATOM 0 HA LEU A 67 -0.094 0.086 6.048 1.00 74.01 H new ATOM 0 HB2 LEU A 67 0.790 -2.802 5.815 1.00 31.01 H new ATOM 0 HB3 LEU A 67 -0.757 -2.176 5.280 1.00 31.01 H new ATOM 0 HG LEU A 67 1.961 -1.631 4.108 1.00 13.13 H new ATOM 0 HD11 LEU A 67 0.873 -2.605 2.140 1.00 11.15 H new ATOM 0 HD12 LEU A 67 0.840 -3.713 3.533 1.00 11.15 H new ATOM 0 HD13 LEU A 67 -0.623 -2.805 3.084 1.00 11.15 H new ATOM 0 HD21 LEU A 67 0.882 -0.231 2.454 1.00 63.43 H new ATOM 0 HD22 LEU A 67 -0.648 -0.341 3.358 1.00 63.43 H new ATOM 0 HD23 LEU A 67 0.766 0.451 4.094 1.00 63.43 H new ATOM 1027 N ARG A 68 -1.590 -0.863 7.714 1.00 24.32 N ATOM 1028 CA ARG A 68 -2.543 -1.231 8.700 1.00 63.41 C ATOM 1029 C ARG A 68 -3.833 -1.452 7.994 1.00 34.42 C ATOM 1030 O ARG A 68 -4.140 -0.705 7.117 1.00 15.34 O ATOM 1031 CB ARG A 68 -2.795 -0.097 9.678 1.00 71.04 C ATOM 1032 CG ARG A 68 -1.685 0.232 10.642 1.00 61.42 C ATOM 1033 CD ARG A 68 -0.769 1.300 10.087 1.00 65.22 C ATOM 1034 NE ARG A 68 -1.399 2.639 10.154 1.00 25.22 N ATOM 1035 CZ ARG A 68 -0.847 3.750 9.668 1.00 23.54 C ATOM 1036 NH1 ARG A 68 0.108 3.671 8.774 1.00 64.42 N ATOM 1037 NH2 ARG A 68 -1.312 4.938 10.028 1.00 1.40 N ATOM 0 H ARG A 68 -1.981 -0.238 7.010 1.00 24.32 H new ATOM 0 HA ARG A 68 -2.174 -2.105 9.236 1.00 63.41 H new ATOM 0 HB2 ARG A 68 -3.023 0.801 9.104 1.00 71.04 H new ATOM 0 HB3 ARG A 68 -3.686 -0.340 10.257 1.00 71.04 H new ATOM 0 HG2 ARG A 68 -2.110 0.571 11.587 1.00 61.42 H new ATOM 0 HG3 ARG A 68 -1.109 -0.668 10.856 1.00 61.42 H new ATOM 0 HD2 ARG A 68 0.166 1.307 10.648 1.00 65.22 H new ATOM 0 HD3 ARG A 68 -0.518 1.065 9.053 1.00 65.22 H new ATOM 0 HE ARG A 68 -2.313 2.715 10.600 1.00 25.22 H new ATOM 0 HH11 ARG A 68 0.429 2.759 8.450 1.00 64.42 H new ATOM 0 HH12 ARG A 68 0.530 4.522 8.402 1.00 64.42 H new ATOM 0 HH21 ARG A 68 -2.095 5.003 10.679 1.00 1.40 H new ATOM 0 HH22 ARG A 68 -0.887 5.787 9.654 1.00 1.40 H new ATOM 1051 N ILE A 69 -4.594 -2.442 8.336 1.00 34.24 N ATOM 1052 CA ILE A 69 -5.873 -2.544 7.685 1.00 21.21 C ATOM 1053 C ILE A 69 -6.897 -1.658 8.362 1.00 43.23 C ATOM 1054 O ILE A 69 -6.792 -1.404 9.572 1.00 4.24 O ATOM 1055 CB ILE A 69 -6.382 -4.003 7.432 1.00 52.32 C ATOM 1056 CG1 ILE A 69 -6.457 -4.869 8.706 1.00 44.10 C ATOM 1057 CG2 ILE A 69 -5.549 -4.682 6.368 1.00 32.15 C ATOM 1058 CD1 ILE A 69 -7.564 -4.510 9.665 1.00 41.34 C ATOM 0 H ILE A 69 -4.375 -3.161 9.026 1.00 34.24 H new ATOM 0 HA ILE A 69 -5.719 -2.166 6.674 1.00 21.21 H new ATOM 0 HB ILE A 69 -7.409 -3.905 7.079 1.00 52.32 H new ATOM 0 HG12 ILE A 69 -6.578 -5.911 8.410 1.00 44.10 H new ATOM 0 HG13 ILE A 69 -5.505 -4.796 9.232 1.00 44.10 H new ATOM 0 HG21 ILE A 69 -5.919 -5.695 6.207 1.00 32.15 H new ATOM 0 HG22 ILE A 69 -5.618 -4.119 5.437 1.00 32.15 H new ATOM 0 HG23 ILE A 69 -4.509 -4.723 6.691 1.00 32.15 H new ATOM 0 HD11 ILE A 69 -7.530 -5.177 10.526 1.00 41.34 H new ATOM 0 HD12 ILE A 69 -7.437 -3.480 9.998 1.00 41.34 H new ATOM 0 HD13 ILE A 69 -8.527 -4.613 9.164 1.00 41.34 H new ATOM 1070 N LYS A 70 -7.824 -1.149 7.575 1.00 60.32 N ATOM 1071 CA LYS A 70 -8.900 -0.289 8.047 1.00 53.14 C ATOM 1072 C LYS A 70 -9.680 -0.962 9.181 1.00 3.13 C ATOM 1073 O LYS A 70 -10.535 -1.832 8.889 1.00 38.98 O ATOM 1074 CB LYS A 70 -9.852 0.024 6.897 1.00 43.10 C ATOM 1075 CG LYS A 70 -10.953 0.989 7.262 1.00 54.10 C ATOM 1076 CD LYS A 70 -11.931 1.173 6.117 1.00 44.33 C ATOM 1077 CE LYS A 70 -13.078 2.077 6.506 1.00 71.12 C ATOM 1078 NZ LYS A 70 -14.071 2.210 5.421 1.00 4.32 N ATOM 1079 OXT LYS A 70 -9.458 -0.618 10.361 1.00 38.98 O ATOM 0 H LYS A 70 -7.854 -1.323 6.570 1.00 60.32 H new ATOM 0 HA LYS A 70 -8.459 0.633 8.425 1.00 53.14 H new ATOM 0 HB2 LYS A 70 -9.280 0.438 6.067 1.00 43.10 H new ATOM 0 HB3 LYS A 70 -10.299 -0.906 6.544 1.00 43.10 H new ATOM 0 HG2 LYS A 70 -11.484 0.622 8.140 1.00 54.10 H new ATOM 0 HG3 LYS A 70 -10.520 1.952 7.531 1.00 54.10 H new ATOM 0 HD2 LYS A 70 -11.410 1.594 5.257 1.00 44.33 H new ATOM 0 HD3 LYS A 70 -12.320 0.202 5.810 1.00 44.33 H new ATOM 0 HE2 LYS A 70 -13.565 1.681 7.397 1.00 71.12 H new ATOM 0 HE3 LYS A 70 -12.691 3.062 6.766 1.00 71.12 H new ATOM 0 HZ1 LYS A 70 -14.840 2.838 5.730 1.00 4.32 H new ATOM 0 HZ2 LYS A 70 -13.613 2.612 4.578 1.00 4.32 H new ATOM 0 HZ3 LYS A 70 -14.460 1.274 5.190 1.00 4.32 H new TER 1093 LYS A 70