USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 458 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 23 ASN :FLIP amide:sc= 0.715 F(o=0.44,f=1.5) USER MOD Set 1.2: A 33 SER OG : rot 180:sc= 0.736 USER MOD Single : A 1 VAL N :NH3+ 159:sc= -0.161 (180deg=-0.501) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0318 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.62 K(o=-2.6,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 125:sc= 0.107 USER MOD Single : A 20 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.49) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -78:sc= 0.898 USER MOD Single : A 29 ASN : amide:sc= 0.331 K(o=0.33,f=-1.5) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.422 K(o=-0.42,f=-3) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.85 K(o=-2.9,f=-5.1!) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0167) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.067 -0.894 -0.128 1.00 63.22 N ATOM 2 CA VAL A 1 2.675 -0.776 -1.448 1.00 42.51 C ATOM 3 C VAL A 1 3.511 0.495 -1.556 1.00 21.20 C ATOM 4 O VAL A 1 3.237 1.489 -0.884 1.00 1.30 O ATOM 5 CB VAL A 1 1.608 -0.771 -2.559 1.00 2.20 C ATOM 6 CG1 VAL A 1 1.107 -2.182 -2.824 1.00 63.35 C ATOM 7 CG2 VAL A 1 0.457 0.151 -2.187 1.00 52.33 C ATOM 0 H1 VAL A 1 1.250 -1.535 -0.178 1.00 63.22 H new ATOM 0 H2 VAL A 1 2.765 -1.274 0.543 1.00 63.22 H new ATOM 0 H3 VAL A 1 1.752 0.043 0.194 1.00 63.22 H new ATOM 0 HA VAL A 1 3.320 -1.645 -1.578 1.00 42.51 H new ATOM 0 HB VAL A 1 2.063 -0.395 -3.475 1.00 2.20 H new ATOM 0 HG11 VAL A 1 0.354 -2.159 -3.612 1.00 63.35 H new ATOM 0 HG12 VAL A 1 1.940 -2.811 -3.137 1.00 63.35 H new ATOM 0 HG13 VAL A 1 0.667 -2.589 -1.913 1.00 63.35 H new ATOM 0 HG21 VAL A 1 -0.288 0.143 -2.983 1.00 52.33 H new ATOM 0 HG22 VAL A 1 0.000 -0.193 -1.259 1.00 52.33 H new ATOM 0 HG23 VAL A 1 0.832 1.165 -2.052 1.00 52.33 H new ATOM 17 N ARG A 2 4.532 0.455 -2.406 1.00 74.44 N ATOM 18 CA ARG A 2 5.409 1.603 -2.602 1.00 74.41 C ATOM 19 C ARG A 2 5.722 1.801 -4.082 1.00 43.02 C ATOM 20 O ARG A 2 5.806 0.837 -4.844 1.00 13.41 O ATOM 21 CB ARG A 2 6.707 1.419 -1.815 1.00 3.43 C ATOM 22 CG ARG A 2 6.563 0.509 -0.606 1.00 3.42 C ATOM 23 CD ARG A 2 6.780 -0.949 -0.978 1.00 31.25 C ATOM 24 NE ARG A 2 6.103 -1.856 -0.054 1.00 54.33 N ATOM 25 CZ ARG A 2 6.617 -2.240 1.109 1.00 43.24 C ATOM 26 NH1 ARG A 2 7.808 -1.798 1.488 1.00 22.15 N ATOM 27 NH2 ARG A 2 5.940 -3.067 1.894 1.00 31.23 N ATOM 0 H ARG A 2 4.772 -0.360 -2.970 1.00 74.44 H new ATOM 0 HA ARG A 2 4.893 2.490 -2.236 1.00 74.41 H new ATOM 0 HB2 ARG A 2 7.469 1.010 -2.478 1.00 3.43 H new ATOM 0 HB3 ARG A 2 7.063 2.395 -1.484 1.00 3.43 H new ATOM 0 HG2 ARG A 2 7.282 0.802 0.159 1.00 3.42 H new ATOM 0 HG3 ARG A 2 5.570 0.631 -0.173 1.00 3.42 H new ATOM 0 HD2 ARG A 2 6.415 -1.123 -1.990 1.00 31.25 H new ATOM 0 HD3 ARG A 2 7.848 -1.167 -0.983 1.00 31.25 H new ATOM 0 HE ARG A 2 5.185 -2.214 -0.317 1.00 54.33 H new ATOM 0 HH11 ARG A 2 8.331 -1.162 0.886 1.00 22.15 H new ATOM 0 HH12 ARG A 2 8.201 -2.094 2.381 1.00 22.15 H new ATOM 0 HH21 ARG A 2 5.024 -3.409 1.605 1.00 31.23 H new ATOM 0 HH22 ARG A 2 6.336 -3.361 2.787 1.00 31.23 H new ATOM 41 N ASP A 3 5.895 3.056 -4.482 1.00 15.10 N ATOM 42 CA ASP A 3 6.199 3.381 -5.870 1.00 45.35 C ATOM 43 C ASP A 3 7.695 3.614 -6.058 1.00 64.21 C ATOM 44 O ASP A 3 8.340 4.267 -5.238 1.00 54.22 O ATOM 45 CB ASP A 3 5.419 4.621 -6.309 1.00 50.25 C ATOM 46 CG ASP A 3 4.226 4.901 -5.416 1.00 62.34 C ATOM 47 OD1 ASP A 3 3.412 3.977 -5.207 1.00 20.02 O ATOM 48 OD2 ASP A 3 4.107 6.043 -4.926 1.00 64.12 O ATOM 0 H ASP A 3 5.830 3.865 -3.864 1.00 15.10 H new ATOM 0 HA ASP A 3 5.900 2.535 -6.489 1.00 45.35 H new ATOM 0 HB2 ASP A 3 6.083 5.485 -6.304 1.00 50.25 H new ATOM 0 HB3 ASP A 3 5.077 4.487 -7.335 1.00 50.25 H new ATOM 53 N ALA A 4 8.242 3.073 -7.143 1.00 14.45 N ATOM 54 CA ALA A 4 9.661 3.223 -7.438 1.00 61.23 C ATOM 55 C ALA A 4 10.036 2.483 -8.718 1.00 22.33 C ATOM 56 O ALA A 4 9.172 1.947 -9.412 1.00 63.04 O ATOM 57 CB ALA A 4 10.499 2.722 -6.271 1.00 71.53 C ATOM 0 H ALA A 4 7.723 2.527 -7.831 1.00 14.45 H new ATOM 0 HA ALA A 4 9.866 4.283 -7.589 1.00 61.23 H new ATOM 0 HB1 ALA A 4 11.557 2.840 -6.506 1.00 71.53 H new ATOM 0 HB2 ALA A 4 10.259 3.298 -5.377 1.00 71.53 H new ATOM 0 HB3 ALA A 4 10.282 1.669 -6.093 1.00 71.53 H new ATOM 63 N TYR A 5 11.329 2.457 -9.024 1.00 15.44 N ATOM 64 CA TYR A 5 11.817 1.785 -10.222 1.00 3.53 C ATOM 65 C TYR A 5 11.863 0.274 -10.019 1.00 14.14 C ATOM 66 O TYR A 5 12.742 -0.245 -9.330 1.00 13.42 O ATOM 67 CB TYR A 5 13.208 2.304 -10.591 1.00 24.42 C ATOM 68 CG TYR A 5 13.185 3.602 -11.366 1.00 21.33 C ATOM 69 CD1 TYR A 5 13.047 3.606 -12.748 1.00 62.54 C ATOM 70 CD2 TYR A 5 13.302 4.824 -10.716 1.00 10.12 C ATOM 71 CE1 TYR A 5 13.026 4.789 -13.461 1.00 21.01 C ATOM 72 CE2 TYR A 5 13.280 6.012 -11.420 1.00 4.31 C ATOM 73 CZ TYR A 5 13.142 5.990 -12.792 1.00 65.41 C ATOM 74 OH TYR A 5 13.122 7.171 -13.497 1.00 50.23 O ATOM 0 H TYR A 5 12.057 2.894 -8.459 1.00 15.44 H new ATOM 0 HA TYR A 5 11.127 2.002 -11.037 1.00 3.53 H new ATOM 0 HB2 TYR A 5 13.787 2.446 -9.679 1.00 24.42 H new ATOM 0 HB3 TYR A 5 13.724 1.547 -11.182 1.00 24.42 H new ATOM 0 HD1 TYR A 5 12.954 2.668 -13.275 1.00 62.54 H new ATOM 0 HD2 TYR A 5 13.412 4.845 -9.642 1.00 10.12 H new ATOM 0 HE1 TYR A 5 12.919 4.774 -14.536 1.00 21.01 H new ATOM 0 HE2 TYR A 5 13.370 6.954 -10.899 1.00 4.31 H new ATOM 0 HH TYR A 5 13.213 7.924 -12.876 1.00 50.23 H new ATOM 84 N ILE A 6 10.909 -0.426 -10.624 1.00 24.32 N ATOM 85 CA ILE A 6 10.841 -1.878 -10.512 1.00 13.15 C ATOM 86 C ILE A 6 12.084 -2.534 -11.103 1.00 34.53 C ATOM 87 O ILE A 6 12.659 -2.038 -12.070 1.00 64.24 O ATOM 88 CB ILE A 6 9.592 -2.439 -11.218 1.00 3.30 C ATOM 89 CG1 ILE A 6 9.583 -3.967 -11.148 1.00 23.21 C ATOM 90 CG2 ILE A 6 9.546 -1.969 -12.664 1.00 64.13 C ATOM 91 CD1 ILE A 6 8.276 -4.585 -11.592 1.00 14.34 C ATOM 0 H ILE A 6 10.173 -0.012 -11.196 1.00 24.32 H new ATOM 0 HA ILE A 6 10.782 -2.110 -9.449 1.00 13.15 H new ATOM 0 HB ILE A 6 8.705 -2.066 -10.707 1.00 3.30 H new ATOM 0 HG12 ILE A 6 10.389 -4.356 -11.770 1.00 23.21 H new ATOM 0 HG13 ILE A 6 9.793 -4.277 -10.124 1.00 23.21 H new ATOM 0 HG21 ILE A 6 8.658 -2.373 -13.150 1.00 64.13 H new ATOM 0 HG22 ILE A 6 9.511 -0.880 -12.692 1.00 64.13 H new ATOM 0 HG23 ILE A 6 10.436 -2.316 -13.188 1.00 64.13 H new ATOM 0 HD11 ILE A 6 8.342 -5.670 -11.516 1.00 14.34 H new ATOM 0 HD12 ILE A 6 7.468 -4.225 -10.955 1.00 14.34 H new ATOM 0 HD13 ILE A 6 8.074 -4.305 -12.626 1.00 14.34 H new ATOM 103 N ALA A 7 12.491 -3.655 -10.515 1.00 12.42 N ATOM 104 CA ALA A 7 13.663 -4.382 -10.986 1.00 10.15 C ATOM 105 C ALA A 7 13.555 -5.867 -10.659 1.00 22.52 C ATOM 106 O ALA A 7 12.626 -6.298 -9.975 1.00 4.34 O ATOM 107 CB ALA A 7 14.928 -3.796 -10.376 1.00 13.24 C ATOM 0 H ALA A 7 12.026 -4.079 -9.712 1.00 12.42 H new ATOM 0 HA ALA A 7 13.714 -4.278 -12.070 1.00 10.15 H new ATOM 0 HB1 ALA A 7 15.796 -4.349 -10.736 1.00 13.24 H new ATOM 0 HB2 ALA A 7 15.020 -2.749 -10.664 1.00 13.24 H new ATOM 0 HB3 ALA A 7 14.876 -3.870 -9.290 1.00 13.24 H new ATOM 113 N LYS A 8 14.510 -6.648 -11.153 1.00 3.03 N ATOM 114 CA LYS A 8 14.524 -8.086 -10.913 1.00 71.23 C ATOM 115 C LYS A 8 15.777 -8.498 -10.147 1.00 70.54 C ATOM 116 O LYS A 8 16.877 -8.004 -10.396 1.00 54.23 O ATOM 117 CB LYS A 8 14.451 -8.846 -12.240 1.00 43.50 C ATOM 118 CG LYS A 8 14.655 -10.344 -12.095 1.00 44.34 C ATOM 119 CD LYS A 8 14.924 -11.002 -13.438 1.00 74.22 C ATOM 120 CE LYS A 8 16.405 -10.984 -13.782 1.00 22.53 C ATOM 121 NZ LYS A 8 16.723 -11.897 -14.915 1.00 12.11 N ATOM 0 H LYS A 8 15.285 -6.309 -11.723 1.00 3.03 H new ATOM 0 HA LYS A 8 13.652 -8.337 -10.309 1.00 71.23 H new ATOM 0 HB2 LYS A 8 13.480 -8.663 -12.701 1.00 43.50 H new ATOM 0 HB3 LYS A 8 15.206 -8.449 -12.918 1.00 43.50 H new ATOM 0 HG2 LYS A 8 15.490 -10.535 -11.421 1.00 44.34 H new ATOM 0 HG3 LYS A 8 13.771 -10.790 -11.641 1.00 44.34 H new ATOM 0 HD2 LYS A 8 14.567 -12.032 -13.418 1.00 74.22 H new ATOM 0 HD3 LYS A 8 14.363 -10.485 -14.216 1.00 74.22 H new ATOM 0 HE2 LYS A 8 16.706 -9.968 -14.039 1.00 22.53 H new ATOM 0 HE3 LYS A 8 16.985 -11.276 -12.906 1.00 22.53 H new ATOM 0 HZ1 LYS A 8 17.742 -11.856 -15.118 1.00 12.11 H new ATOM 0 HZ2 LYS A 8 16.460 -12.870 -14.661 1.00 12.11 H new ATOM 0 HZ3 LYS A 8 16.190 -11.603 -15.758 1.00 12.11 H new ATOM 135 N PRO A 9 15.610 -9.427 -9.194 1.00 1.00 N ATOM 136 CA PRO A 9 16.717 -9.928 -8.374 1.00 45.51 C ATOM 137 C PRO A 9 17.691 -10.785 -9.176 1.00 0.33 C ATOM 138 O PRO A 9 17.340 -11.321 -10.226 1.00 53.41 O ATOM 139 CB PRO A 9 16.016 -10.771 -7.307 1.00 74.31 C ATOM 140 CG PRO A 9 14.733 -11.191 -7.939 1.00 44.00 C ATOM 141 CD PRO A 9 14.328 -10.060 -8.843 1.00 72.13 C ATOM 0 HA PRO A 9 17.321 -9.117 -7.966 1.00 45.51 H new ATOM 0 HB2 PRO A 9 16.619 -11.634 -7.025 1.00 74.31 H new ATOM 0 HB3 PRO A 9 15.840 -10.194 -6.399 1.00 74.31 H new ATOM 0 HG2 PRO A 9 14.860 -12.115 -8.503 1.00 44.00 H new ATOM 0 HG3 PRO A 9 13.970 -11.380 -7.184 1.00 44.00 H new ATOM 0 HD2 PRO A 9 13.803 -10.421 -9.727 1.00 72.13 H new ATOM 0 HD3 PRO A 9 13.660 -9.362 -8.338 1.00 72.13 H new ATOM 149 N GLU A 10 18.915 -10.910 -8.673 1.00 2.44 N ATOM 150 CA GLU A 10 19.297 -10.261 -7.424 1.00 0.41 C ATOM 151 C GLU A 10 19.726 -8.817 -7.670 1.00 64.12 C ATOM 152 O GLU A 10 20.745 -8.562 -8.311 1.00 71.32 O ATOM 153 CB GLU A 10 20.431 -11.033 -6.748 1.00 24.42 C ATOM 154 CG GLU A 10 20.168 -11.344 -5.284 1.00 5.42 C ATOM 155 CD GLU A 10 20.811 -10.336 -4.350 1.00 34.54 C ATOM 156 OE1 GLU A 10 20.281 -9.211 -4.236 1.00 75.24 O ATOM 157 OE2 GLU A 10 21.843 -10.673 -3.732 1.00 55.22 O ATOM 0 H GLU A 10 19.659 -11.454 -9.111 1.00 2.44 H new ATOM 0 HA GLU A 10 18.428 -10.257 -6.766 1.00 0.41 H new ATOM 0 HB2 GLU A 10 20.594 -11.967 -7.285 1.00 24.42 H new ATOM 0 HB3 GLU A 10 21.351 -10.454 -6.828 1.00 24.42 H new ATOM 0 HG2 GLU A 10 19.093 -11.363 -5.108 1.00 5.42 H new ATOM 0 HG3 GLU A 10 20.546 -12.340 -5.054 1.00 5.42 H new ATOM 164 N ASN A 11 18.941 -7.876 -7.156 1.00 32.40 N ATOM 165 CA ASN A 11 19.238 -6.458 -7.321 1.00 23.14 C ATOM 166 C ASN A 11 19.732 -6.166 -8.734 1.00 71.44 C ATOM 167 O ASN A 11 20.911 -5.882 -8.946 1.00 2.22 O ATOM 168 CB ASN A 11 20.288 -6.014 -6.300 1.00 22.10 C ATOM 169 CG ASN A 11 20.124 -4.562 -5.896 1.00 14.23 C ATOM 170 OD1 ASN A 11 19.031 -4.001 -5.985 1.00 43.13 O ATOM 171 ND2 ASN A 11 21.211 -3.946 -5.448 1.00 3.41 N ATOM 0 H ASN A 11 18.094 -8.070 -6.622 1.00 32.40 H new ATOM 0 HA ASN A 11 18.318 -5.898 -7.154 1.00 23.14 H new ATOM 0 HB2 ASN A 11 20.219 -6.645 -5.414 1.00 22.10 H new ATOM 0 HB3 ASN A 11 21.283 -6.161 -6.719 1.00 22.10 H new ATOM 0 HD21 ASN A 11 21.161 -2.969 -5.161 1.00 3.41 H new ATOM 0 HD22 ASN A 11 22.096 -4.450 -5.391 1.00 3.41 H new ATOM 178 N CYS A 12 18.822 -6.238 -9.700 1.00 34.44 N ATOM 179 CA CYS A 12 19.163 -5.982 -11.094 1.00 35.23 C ATOM 180 C CYS A 12 18.087 -5.138 -11.770 1.00 53.35 C ATOM 181 O CYS A 12 16.893 -5.404 -11.629 1.00 40.33 O ATOM 182 CB CYS A 12 19.340 -7.301 -11.848 1.00 22.51 C ATOM 183 SG CYS A 12 21.073 -7.707 -12.239 1.00 34.03 S ATOM 0 H CYS A 12 17.842 -6.472 -9.542 1.00 34.44 H new ATOM 0 HA CYS A 12 20.102 -5.429 -11.117 1.00 35.23 H new ATOM 0 HB2 CYS A 12 18.915 -8.108 -11.252 1.00 22.51 H new ATOM 0 HB3 CYS A 12 18.770 -7.256 -12.776 1.00 22.51 H new ATOM 188 N VAL A 13 18.518 -4.118 -12.506 1.00 63.24 N ATOM 189 CA VAL A 13 17.593 -3.235 -13.206 1.00 63.15 C ATOM 190 C VAL A 13 16.822 -3.989 -14.284 1.00 65.40 C ATOM 191 O VAL A 13 17.228 -5.071 -14.710 1.00 31.33 O ATOM 192 CB VAL A 13 18.332 -2.049 -13.854 1.00 54.33 C ATOM 193 CG1 VAL A 13 18.920 -1.139 -12.787 1.00 1.31 C ATOM 194 CG2 VAL A 13 19.415 -2.547 -14.798 1.00 63.42 C ATOM 0 H VAL A 13 19.502 -3.883 -12.633 1.00 63.24 H new ATOM 0 HA VAL A 13 16.893 -2.855 -12.462 1.00 63.15 H new ATOM 0 HB VAL A 13 17.614 -1.470 -14.435 1.00 54.33 H new ATOM 0 HG11 VAL A 13 19.438 -0.307 -13.264 1.00 1.31 H new ATOM 0 HG12 VAL A 13 18.119 -0.754 -12.156 1.00 1.31 H new ATOM 0 HG13 VAL A 13 19.625 -1.703 -12.176 1.00 1.31 H new ATOM 0 HG21 VAL A 13 19.926 -1.695 -15.247 1.00 63.42 H new ATOM 0 HG22 VAL A 13 20.133 -3.150 -14.242 1.00 63.42 H new ATOM 0 HG23 VAL A 13 18.963 -3.153 -15.583 1.00 63.42 H new ATOM 204 N TYR A 14 15.709 -3.411 -14.722 1.00 25.44 N ATOM 205 CA TYR A 14 14.880 -4.030 -15.749 1.00 11.22 C ATOM 206 C TYR A 14 14.649 -3.071 -16.913 1.00 14.13 C ATOM 207 O TYR A 14 13.907 -2.097 -16.790 1.00 1.43 O ATOM 208 CB TYR A 14 13.538 -4.464 -15.157 1.00 60.41 C ATOM 209 CG TYR A 14 13.158 -5.888 -15.498 1.00 5.22 C ATOM 210 CD1 TYR A 14 13.387 -6.404 -16.767 1.00 43.12 C ATOM 211 CD2 TYR A 14 12.572 -6.717 -14.550 1.00 12.15 C ATOM 212 CE1 TYR A 14 13.041 -7.704 -17.083 1.00 4.51 C ATOM 213 CE2 TYR A 14 12.224 -8.018 -14.856 1.00 30.31 C ATOM 214 CZ TYR A 14 12.460 -8.507 -16.124 1.00 3.21 C ATOM 215 OH TYR A 14 12.116 -9.802 -16.434 1.00 74.41 O ATOM 0 H TYR A 14 15.360 -2.515 -14.382 1.00 25.44 H new ATOM 0 HA TYR A 14 15.405 -4.908 -16.124 1.00 11.22 H new ATOM 0 HB2 TYR A 14 13.577 -4.357 -14.073 1.00 60.41 H new ATOM 0 HB3 TYR A 14 12.758 -3.793 -15.516 1.00 60.41 H new ATOM 0 HD1 TYR A 14 13.843 -5.778 -17.520 1.00 43.12 H new ATOM 0 HD2 TYR A 14 12.385 -6.338 -13.556 1.00 12.15 H new ATOM 0 HE1 TYR A 14 13.225 -8.089 -18.075 1.00 4.51 H new ATOM 0 HE2 TYR A 14 11.770 -8.649 -14.107 1.00 30.31 H new ATOM 0 HH TYR A 14 11.719 -10.232 -15.648 1.00 74.41 H new ATOM 225 N GLU A 15 15.289 -3.356 -18.042 1.00 42.01 N ATOM 226 CA GLU A 15 15.154 -2.519 -19.229 1.00 33.15 C ATOM 227 C GLU A 15 13.734 -2.587 -19.783 1.00 73.32 C ATOM 228 O GLU A 15 13.102 -3.644 -19.775 1.00 72.20 O ATOM 229 CB GLU A 15 16.154 -2.952 -20.302 1.00 72.44 C ATOM 230 CG GLU A 15 15.951 -4.379 -20.783 1.00 32.51 C ATOM 231 CD GLU A 15 17.068 -4.853 -21.693 1.00 35.11 C ATOM 232 OE1 GLU A 15 17.599 -4.025 -22.461 1.00 43.30 O ATOM 233 OE2 GLU A 15 17.410 -6.053 -21.636 1.00 54.11 O ATOM 0 H GLU A 15 15.906 -4.160 -18.160 1.00 42.01 H new ATOM 0 HA GLU A 15 15.365 -1.489 -18.942 1.00 33.15 H new ATOM 0 HB2 GLU A 15 16.076 -2.276 -21.153 1.00 72.44 H new ATOM 0 HB3 GLU A 15 17.165 -2.851 -19.907 1.00 72.44 H new ATOM 0 HG2 GLU A 15 15.883 -5.043 -19.921 1.00 32.51 H new ATOM 0 HG3 GLU A 15 15.001 -4.448 -21.314 1.00 32.51 H new ATOM 240 N CYS A 16 13.238 -1.452 -20.264 1.00 74.32 N ATOM 241 CA CYS A 16 11.893 -1.381 -20.822 1.00 53.31 C ATOM 242 C CYS A 16 11.918 -0.790 -22.229 1.00 61.20 C ATOM 243 O CYS A 16 12.970 -0.395 -22.729 1.00 4.32 O ATOM 244 CB CYS A 16 10.988 -0.539 -19.920 1.00 51.11 C ATOM 245 SG CYS A 16 9.295 -1.190 -19.749 1.00 23.42 S ATOM 0 H CYS A 16 13.748 -0.569 -20.279 1.00 74.32 H new ATOM 0 HA CYS A 16 11.497 -2.395 -20.879 1.00 53.31 H new ATOM 0 HB2 CYS A 16 11.441 -0.471 -18.931 1.00 51.11 H new ATOM 0 HB3 CYS A 16 10.938 0.474 -20.318 1.00 51.11 H new ATOM 250 N GLY A 17 10.750 -0.734 -22.863 1.00 24.14 N ATOM 251 CA GLY A 17 10.660 -0.191 -24.205 1.00 44.33 C ATOM 252 C GLY A 17 10.556 -1.272 -25.262 1.00 40.15 C ATOM 253 O GLY A 17 10.052 -1.030 -26.360 1.00 0.34 O ATOM 0 H GLY A 17 9.865 -1.055 -22.470 1.00 24.14 H new ATOM 0 HA2 GLY A 17 9.790 0.463 -24.272 1.00 44.33 H new ATOM 0 HA3 GLY A 17 11.537 0.424 -24.404 1.00 44.33 H new ATOM 257 N ILE A 18 11.035 -2.467 -24.933 1.00 75.05 N ATOM 258 CA ILE A 18 10.993 -3.588 -25.864 1.00 30.54 C ATOM 259 C ILE A 18 9.659 -4.323 -25.780 1.00 41.32 C ATOM 260 O ILE A 18 9.162 -4.846 -26.778 1.00 15.11 O ATOM 261 CB ILE A 18 12.134 -4.587 -25.593 1.00 33.23 C ATOM 262 CG1 ILE A 18 12.137 -5.691 -26.652 1.00 51.14 C ATOM 263 CG2 ILE A 18 11.996 -5.183 -24.200 1.00 21.23 C ATOM 264 CD1 ILE A 18 13.422 -6.489 -26.690 1.00 54.41 C ATOM 0 H ILE A 18 11.456 -2.684 -24.030 1.00 75.05 H new ATOM 0 HA ILE A 18 11.114 -3.172 -26.864 1.00 30.54 H new ATOM 0 HB ILE A 18 13.084 -4.055 -25.647 1.00 33.23 H new ATOM 0 HG12 ILE A 18 11.304 -6.368 -26.462 1.00 51.14 H new ATOM 0 HG13 ILE A 18 11.967 -5.244 -27.632 1.00 51.14 H new ATOM 0 HG21 ILE A 18 12.809 -5.887 -24.023 1.00 21.23 H new ATOM 0 HG22 ILE A 18 12.038 -4.386 -23.458 1.00 21.23 H new ATOM 0 HG23 ILE A 18 11.042 -5.704 -24.120 1.00 21.23 H new ATOM 0 HD11 ILE A 18 13.353 -7.254 -27.464 1.00 54.41 H new ATOM 0 HD12 ILE A 18 14.257 -5.824 -26.911 1.00 54.41 H new ATOM 0 HD13 ILE A 18 13.583 -6.965 -25.723 1.00 54.41 H new ATOM 276 N THR A 19 9.082 -4.357 -24.583 1.00 2.22 N ATOM 277 CA THR A 19 7.805 -5.026 -24.368 1.00 44.13 C ATOM 278 C THR A 19 6.676 -4.015 -24.202 1.00 23.40 C ATOM 279 O THR A 19 5.529 -4.291 -24.551 1.00 51.15 O ATOM 280 CB THR A 19 7.850 -5.937 -23.127 1.00 63.34 C ATOM 281 OG1 THR A 19 8.663 -5.341 -22.110 1.00 54.53 O ATOM 282 CG2 THR A 19 8.402 -7.310 -23.484 1.00 13.44 C ATOM 0 H THR A 19 9.479 -3.929 -23.747 1.00 2.22 H new ATOM 0 HA THR A 19 7.615 -5.637 -25.251 1.00 44.13 H new ATOM 0 HB THR A 19 6.833 -6.056 -22.754 1.00 63.34 H new ATOM 0 HG1 THR A 19 8.145 -5.261 -21.282 1.00 54.53 H new ATOM 0 HG21 THR A 19 8.425 -7.936 -22.592 1.00 13.44 H new ATOM 0 HG22 THR A 19 7.765 -7.774 -24.237 1.00 13.44 H new ATOM 0 HG23 THR A 19 9.412 -7.204 -23.879 1.00 13.44 H new ATOM 290 N GLN A 20 7.010 -2.845 -23.667 1.00 74.21 N ATOM 291 CA GLN A 20 6.022 -1.794 -23.455 1.00 11.30 C ATOM 292 C GLN A 20 4.815 -2.327 -22.690 1.00 50.11 C ATOM 293 O GLN A 20 3.674 -1.976 -22.990 1.00 35.14 O ATOM 294 CB GLN A 20 5.573 -1.208 -24.795 1.00 64.31 C ATOM 295 CG GLN A 20 5.258 0.278 -24.735 1.00 31.42 C ATOM 296 CD GLN A 20 6.284 1.122 -25.464 1.00 3.12 C ATOM 297 OE1 GLN A 20 6.746 0.761 -26.547 1.00 13.40 O ATOM 298 NE2 GLN A 20 6.648 2.254 -24.872 1.00 54.24 N ATOM 0 H GLN A 20 7.956 -2.601 -23.373 1.00 74.21 H new ATOM 0 HA GLN A 20 6.488 -1.008 -22.861 1.00 11.30 H new ATOM 0 HB2 GLN A 20 6.355 -1.375 -25.535 1.00 64.31 H new ATOM 0 HB3 GLN A 20 4.689 -1.745 -25.139 1.00 64.31 H new ATOM 0 HG2 GLN A 20 4.274 0.455 -25.169 1.00 31.42 H new ATOM 0 HG3 GLN A 20 5.208 0.593 -23.693 1.00 31.42 H new ATOM 0 HE21 GLN A 20 6.239 2.514 -23.974 1.00 54.24 H new ATOM 0 HE22 GLN A 20 7.336 2.863 -25.315 1.00 54.24 H new ATOM 307 N ASP A 21 5.075 -3.176 -21.702 1.00 70.12 N ATOM 308 CA ASP A 21 4.010 -3.758 -20.893 1.00 52.55 C ATOM 309 C ASP A 21 4.324 -3.628 -19.406 1.00 62.04 C ATOM 310 O ASP A 21 3.968 -4.495 -18.608 1.00 20.02 O ATOM 311 CB ASP A 21 3.808 -5.229 -21.259 1.00 24.03 C ATOM 312 CG ASP A 21 4.897 -6.120 -20.693 1.00 71.03 C ATOM 313 OD1 ASP A 21 6.056 -5.662 -20.612 1.00 22.25 O ATOM 314 OD2 ASP A 21 4.589 -7.275 -20.332 1.00 5.13 O ATOM 0 H ASP A 21 6.014 -3.477 -21.442 1.00 70.12 H new ATOM 0 HA ASP A 21 3.090 -3.211 -21.100 1.00 52.55 H new ATOM 0 HB2 ASP A 21 2.839 -5.563 -20.888 1.00 24.03 H new ATOM 0 HB3 ASP A 21 3.786 -5.331 -22.344 1.00 24.03 H new ATOM 319 N CYS A 22 4.995 -2.540 -19.041 1.00 73.51 N ATOM 320 CA CYS A 22 5.359 -2.297 -17.651 1.00 22.23 C ATOM 321 C CYS A 22 4.141 -2.421 -16.739 1.00 64.24 C ATOM 322 O CYS A 22 4.136 -3.214 -15.799 1.00 14.13 O ATOM 323 CB CYS A 22 5.983 -0.908 -17.501 1.00 31.24 C ATOM 324 SG CYS A 22 7.379 -0.842 -16.332 1.00 70.42 S ATOM 0 H CYS A 22 5.297 -1.813 -19.689 1.00 73.51 H new ATOM 0 HA CYS A 22 6.089 -3.050 -17.356 1.00 22.23 H new ATOM 0 HB2 CYS A 22 6.325 -0.568 -18.478 1.00 31.24 H new ATOM 0 HB3 CYS A 22 5.214 -0.210 -17.172 1.00 31.24 H new ATOM 329 N ASN A 23 3.112 -1.632 -17.027 1.00 14.44 N ATOM 330 CA ASN A 23 1.888 -1.652 -16.233 1.00 60.43 C ATOM 331 C ASN A 23 1.379 -3.080 -16.056 1.00 10.32 C ATOM 332 O ASN A 23 0.881 -3.446 -14.991 1.00 4.53 O ATOM 333 CB ASN A 23 0.810 -0.793 -16.898 1.00 21.54 C ATOM 334 CG ASN A 23 -0.101 -0.125 -15.886 1.00 42.43 C ATOM 335 OD1 ASN A 23 -0.643 -0.913 -14.966 1.00 51.04 O flip ATOM 336 ND2 ASN A 23 -0.314 1.087 -15.932 1.00 22.43 N flip ATOM 0 H ASN A 23 3.100 -0.971 -17.804 1.00 14.44 H new ATOM 0 HA ASN A 23 2.115 -1.241 -15.249 1.00 60.43 H new ATOM 0 HB2 ASN A 23 1.286 -0.030 -17.514 1.00 21.54 H new ATOM 0 HB3 ASN A 23 0.213 -1.415 -17.565 1.00 21.54 H new ATOM 0 HD21 ASN A 23 0.124 1.655 -16.657 1.00 22.43 H new ATOM 0 HD22 ASN A 23 -0.929 1.523 -15.245 1.00 22.43 H new ATOM 343 N LYS A 24 1.507 -3.883 -17.107 1.00 5.35 N ATOM 344 CA LYS A 24 1.063 -5.271 -17.068 1.00 50.21 C ATOM 345 C LYS A 24 1.891 -6.080 -16.074 1.00 55.25 C ATOM 346 O LYS A 24 1.346 -6.832 -15.265 1.00 2.44 O ATOM 347 CB LYS A 24 1.162 -5.898 -18.460 1.00 71.25 C ATOM 348 CG LYS A 24 0.202 -7.056 -18.676 1.00 3.24 C ATOM 349 CD LYS A 24 0.342 -7.644 -20.070 1.00 31.14 C ATOM 350 CE LYS A 24 1.538 -8.578 -20.163 1.00 24.51 C ATOM 351 NZ LYS A 24 1.299 -9.692 -21.122 1.00 41.14 N ATOM 0 H LYS A 24 1.915 -3.596 -17.997 1.00 5.35 H new ATOM 0 HA LYS A 24 0.023 -5.285 -16.743 1.00 50.21 H new ATOM 0 HB2 LYS A 24 0.967 -5.131 -19.209 1.00 71.25 H new ATOM 0 HB3 LYS A 24 2.182 -6.248 -18.620 1.00 71.25 H new ATOM 0 HG2 LYS A 24 0.392 -7.830 -17.933 1.00 3.24 H new ATOM 0 HG3 LYS A 24 -0.822 -6.714 -18.526 1.00 3.24 H new ATOM 0 HD2 LYS A 24 -0.566 -8.187 -20.330 1.00 31.14 H new ATOM 0 HD3 LYS A 24 0.450 -6.839 -20.797 1.00 31.14 H new ATOM 0 HE2 LYS A 24 2.417 -8.013 -20.474 1.00 24.51 H new ATOM 0 HE3 LYS A 24 1.756 -8.988 -19.177 1.00 24.51 H new ATOM 0 HZ1 LYS A 24 2.138 -10.306 -21.157 1.00 41.14 H new ATOM 0 HZ2 LYS A 24 0.476 -10.247 -20.811 1.00 41.14 H new ATOM 0 HZ3 LYS A 24 1.116 -9.302 -22.069 1.00 41.14 H new ATOM 365 N LEU A 25 3.208 -5.920 -16.140 1.00 74.24 N ATOM 366 CA LEU A 25 4.111 -6.635 -15.245 1.00 13.21 C ATOM 367 C LEU A 25 3.831 -6.276 -13.789 1.00 42.51 C ATOM 368 O LEU A 25 3.782 -7.148 -12.922 1.00 13.04 O ATOM 369 CB LEU A 25 5.565 -6.312 -15.592 1.00 23.24 C ATOM 370 CG LEU A 25 6.628 -7.107 -14.832 1.00 43.32 C ATOM 371 CD1 LEU A 25 6.594 -8.571 -15.242 1.00 2.04 C ATOM 372 CD2 LEU A 25 8.010 -6.516 -15.074 1.00 13.45 C ATOM 0 H LEU A 25 3.674 -5.302 -16.804 1.00 74.24 H new ATOM 0 HA LEU A 25 3.942 -7.704 -15.375 1.00 13.21 H new ATOM 0 HB2 LEU A 25 5.709 -6.479 -16.659 1.00 23.24 H new ATOM 0 HB3 LEU A 25 5.734 -5.251 -15.410 1.00 23.24 H new ATOM 0 HG LEU A 25 6.409 -7.044 -13.766 1.00 43.32 H new ATOM 0 HD11 LEU A 25 7.357 -9.121 -14.691 1.00 2.04 H new ATOM 0 HD12 LEU A 25 5.613 -8.989 -15.018 1.00 2.04 H new ATOM 0 HD13 LEU A 25 6.788 -8.654 -16.311 1.00 2.04 H new ATOM 0 HD21 LEU A 25 8.754 -7.094 -14.526 1.00 13.45 H new ATOM 0 HD22 LEU A 25 8.238 -6.549 -16.139 1.00 13.45 H new ATOM 0 HD23 LEU A 25 8.029 -5.482 -14.730 1.00 13.45 H new ATOM 384 N CYS A 26 3.647 -4.986 -13.528 1.00 50.44 N ATOM 385 CA CYS A 26 3.370 -4.510 -12.178 1.00 43.24 C ATOM 386 C CYS A 26 2.080 -5.121 -11.640 1.00 54.42 C ATOM 387 O CYS A 26 2.076 -5.771 -10.595 1.00 34.43 O ATOM 388 CB CYS A 26 3.270 -2.983 -12.164 1.00 32.21 C ATOM 389 SG CYS A 26 4.676 -2.138 -12.955 1.00 41.13 S ATOM 0 H CYS A 26 3.685 -4.251 -14.234 1.00 50.44 H new ATOM 0 HA CYS A 26 4.193 -4.819 -11.534 1.00 43.24 H new ATOM 0 HB2 CYS A 26 2.351 -2.685 -12.668 1.00 32.21 H new ATOM 0 HB3 CYS A 26 3.191 -2.644 -11.131 1.00 32.21 H new ATOM 394 N THR A 27 0.984 -4.907 -12.362 1.00 50.42 N ATOM 395 CA THR A 27 -0.313 -5.434 -11.958 1.00 20.40 C ATOM 396 C THR A 27 -0.233 -6.929 -11.669 1.00 65.03 C ATOM 397 O THR A 27 -0.637 -7.386 -10.601 1.00 73.21 O ATOM 398 CB THR A 27 -1.381 -5.189 -13.040 1.00 14.20 C ATOM 399 OG1 THR A 27 -0.871 -5.560 -14.325 1.00 52.24 O ATOM 400 CG2 THR A 27 -1.806 -3.728 -13.059 1.00 70.15 C ATOM 0 H THR A 27 0.969 -4.372 -13.230 1.00 50.42 H new ATOM 0 HA THR A 27 -0.599 -4.905 -11.049 1.00 20.40 H new ATOM 0 HB THR A 27 -2.252 -5.801 -12.805 1.00 14.20 H new ATOM 0 HG1 THR A 27 -0.271 -4.858 -14.654 1.00 52.24 H new ATOM 0 HG21 THR A 27 -2.561 -3.579 -13.831 1.00 70.15 H new ATOM 0 HG22 THR A 27 -2.221 -3.457 -12.088 1.00 70.15 H new ATOM 0 HG23 THR A 27 -0.941 -3.100 -13.271 1.00 70.15 H new ATOM 408 N GLU A 28 0.293 -7.685 -12.628 1.00 50.14 N ATOM 409 CA GLU A 28 0.426 -9.129 -12.475 1.00 52.04 C ATOM 410 C GLU A 28 1.198 -9.473 -11.205 1.00 14.23 C ATOM 411 O GLU A 28 0.812 -10.368 -10.455 1.00 32.42 O ATOM 412 CB GLU A 28 1.132 -9.730 -13.692 1.00 73.35 C ATOM 413 CG GLU A 28 0.250 -10.660 -14.509 1.00 64.24 C ATOM 414 CD GLU A 28 0.019 -11.994 -13.826 1.00 72.15 C ATOM 415 OE1 GLU A 28 0.943 -12.476 -13.139 1.00 64.31 O ATOM 416 OE2 GLU A 28 -1.086 -12.556 -13.979 1.00 41.33 O ATOM 0 H GLU A 28 0.634 -7.322 -13.518 1.00 50.14 H new ATOM 0 HA GLU A 28 -0.575 -9.554 -12.397 1.00 52.04 H new ATOM 0 HB2 GLU A 28 1.485 -8.922 -14.333 1.00 73.35 H new ATOM 0 HB3 GLU A 28 2.012 -10.279 -13.357 1.00 73.35 H new ATOM 0 HG2 GLU A 28 -0.711 -10.178 -14.690 1.00 64.24 H new ATOM 0 HG3 GLU A 28 0.710 -10.829 -15.482 1.00 64.24 H new ATOM 423 N ASN A 29 2.291 -8.754 -10.971 1.00 12.13 N ATOM 424 CA ASN A 29 3.118 -8.983 -9.792 1.00 3.02 C ATOM 425 C ASN A 29 2.339 -8.686 -8.514 1.00 42.12 C ATOM 426 O ASN A 29 2.685 -9.169 -7.437 1.00 4.10 O ATOM 427 CB ASN A 29 4.376 -8.114 -9.849 1.00 41.33 C ATOM 428 CG ASN A 29 5.590 -8.884 -10.332 1.00 31.21 C ATOM 429 OD1 ASN A 29 6.326 -9.468 -9.536 1.00 14.54 O ATOM 430 ND2 ASN A 29 5.805 -8.889 -11.642 1.00 74.33 N ATOM 0 H ASN A 29 2.624 -8.008 -11.582 1.00 12.13 H new ATOM 0 HA ASN A 29 3.410 -10.033 -9.783 1.00 3.02 H new ATOM 0 HB2 ASN A 29 4.199 -7.267 -10.512 1.00 41.33 H new ATOM 0 HB3 ASN A 29 4.578 -7.707 -8.858 1.00 41.33 H new ATOM 0 HD21 ASN A 29 6.606 -9.391 -12.025 1.00 74.33 H new ATOM 0 HD22 ASN A 29 5.169 -8.391 -12.265 1.00 74.33 H new ATOM 437 N GLY A 30 1.284 -7.887 -8.643 1.00 73.50 N ATOM 438 CA GLY A 30 0.472 -7.540 -7.492 1.00 15.03 C ATOM 439 C GLY A 30 0.503 -6.055 -7.187 1.00 75.41 C ATOM 440 O GLY A 30 -0.045 -5.610 -6.179 1.00 20.31 O ATOM 0 H GLY A 30 0.978 -7.474 -9.524 1.00 73.50 H new ATOM 0 HA2 GLY A 30 -0.558 -7.850 -7.671 1.00 15.03 H new ATOM 0 HA3 GLY A 30 0.825 -8.094 -6.622 1.00 15.03 H new ATOM 444 N ALA A 31 1.146 -5.287 -8.060 1.00 22.21 N ATOM 445 CA ALA A 31 1.246 -3.844 -7.879 1.00 63.33 C ATOM 446 C ALA A 31 -0.033 -3.145 -8.327 1.00 43.03 C ATOM 447 O ALA A 31 -1.040 -3.794 -8.606 1.00 33.05 O ATOM 448 CB ALA A 31 2.444 -3.299 -8.643 1.00 52.40 C ATOM 0 H ALA A 31 1.605 -5.640 -8.900 1.00 22.21 H new ATOM 0 HA ALA A 31 1.385 -3.644 -6.817 1.00 63.33 H new ATOM 0 HB1 ALA A 31 2.507 -2.220 -8.499 1.00 52.40 H new ATOM 0 HB2 ALA A 31 3.356 -3.768 -8.273 1.00 52.40 H new ATOM 0 HB3 ALA A 31 2.329 -3.517 -9.705 1.00 52.40 H new ATOM 454 N GLU A 32 0.016 -1.818 -8.394 1.00 31.12 N ATOM 455 CA GLU A 32 -1.141 -1.032 -8.807 1.00 4.23 C ATOM 456 C GLU A 32 -1.035 -0.640 -10.278 1.00 2.44 C ATOM 457 O GLU A 32 -1.922 -0.939 -11.076 1.00 71.44 O ATOM 458 CB GLU A 32 -1.267 0.223 -7.941 1.00 13.33 C ATOM 459 CG GLU A 32 -2.622 0.904 -8.050 1.00 24.34 C ATOM 460 CD GLU A 32 -2.595 2.339 -7.560 1.00 24.52 C ATOM 461 OE1 GLU A 32 -2.016 3.194 -8.262 1.00 72.25 O ATOM 462 OE2 GLU A 32 -3.151 2.606 -6.475 1.00 12.14 O ATOM 0 H GLU A 32 0.843 -1.266 -8.168 1.00 31.12 H new ATOM 0 HA GLU A 32 -2.032 -1.646 -8.676 1.00 4.23 H new ATOM 0 HB2 GLU A 32 -1.087 -0.045 -6.900 1.00 13.33 H new ATOM 0 HB3 GLU A 32 -0.490 0.931 -8.227 1.00 13.33 H new ATOM 0 HG2 GLU A 32 -2.951 0.885 -9.089 1.00 24.34 H new ATOM 0 HG3 GLU A 32 -3.355 0.341 -7.473 1.00 24.34 H new ATOM 469 N SER A 33 0.057 0.033 -10.628 1.00 12.35 N ATOM 470 CA SER A 33 0.278 0.471 -12.001 1.00 34.02 C ATOM 471 C SER A 33 1.769 0.584 -12.302 1.00 21.11 C ATOM 472 O SER A 33 2.606 0.100 -11.541 1.00 32.20 O ATOM 473 CB SER A 33 -0.407 1.817 -12.246 1.00 0.02 C ATOM 474 OG SER A 33 -1.215 1.774 -13.409 1.00 34.21 O ATOM 0 H SER A 33 0.802 0.287 -9.979 1.00 12.35 H new ATOM 0 HA SER A 33 -0.154 -0.275 -12.668 1.00 34.02 H new ATOM 0 HB2 SER A 33 -1.020 2.079 -11.383 1.00 0.02 H new ATOM 0 HB3 SER A 33 0.346 2.598 -12.351 1.00 0.02 H new ATOM 0 HG SER A 33 -1.643 2.646 -13.543 1.00 34.21 H new ATOM 480 N GLY A 34 2.094 1.227 -13.419 1.00 50.52 N ATOM 481 CA GLY A 34 3.484 1.393 -13.803 1.00 32.05 C ATOM 482 C GLY A 34 3.647 1.675 -15.283 1.00 3.42 C ATOM 483 O GLY A 34 2.698 1.543 -16.056 1.00 21.53 O ATOM 0 H GLY A 34 1.419 1.636 -14.065 1.00 50.52 H new ATOM 0 HA2 GLY A 34 3.921 2.211 -13.230 1.00 32.05 H new ATOM 0 HA3 GLY A 34 4.039 0.491 -13.545 1.00 32.05 H new ATOM 487 N TYR A 35 4.853 2.068 -15.679 1.00 31.32 N ATOM 488 CA TYR A 35 5.136 2.374 -17.076 1.00 24.01 C ATOM 489 C TYR A 35 6.635 2.315 -17.353 1.00 65.33 C ATOM 490 O TYR A 35 7.448 2.254 -16.430 1.00 20.10 O ATOM 491 CB TYR A 35 4.594 3.758 -17.437 1.00 20.14 C ATOM 492 CG TYR A 35 4.757 4.779 -16.333 1.00 70.31 C ATOM 493 CD1 TYR A 35 6.000 5.017 -15.759 1.00 14.22 C ATOM 494 CD2 TYR A 35 3.669 5.504 -15.864 1.00 74.22 C ATOM 495 CE1 TYR A 35 6.153 5.948 -14.750 1.00 3.32 C ATOM 496 CE2 TYR A 35 3.813 6.438 -14.857 1.00 22.23 C ATOM 497 CZ TYR A 35 5.057 6.656 -14.303 1.00 3.33 C ATOM 498 OH TYR A 35 5.205 7.585 -13.298 1.00 22.11 O ATOM 0 H TYR A 35 5.650 2.182 -15.052 1.00 31.32 H new ATOM 0 HA TYR A 35 4.640 1.625 -17.693 1.00 24.01 H new ATOM 0 HB2 TYR A 35 5.104 4.117 -18.331 1.00 20.14 H new ATOM 0 HB3 TYR A 35 3.537 3.671 -17.687 1.00 20.14 H new ATOM 0 HD1 TYR A 35 6.860 4.465 -16.107 1.00 14.22 H new ATOM 0 HD2 TYR A 35 2.693 5.334 -16.294 1.00 74.22 H new ATOM 0 HE1 TYR A 35 7.126 6.121 -14.313 1.00 3.32 H new ATOM 0 HE2 TYR A 35 2.957 6.994 -14.505 1.00 22.23 H new ATOM 0 HH TYR A 35 4.337 7.996 -13.102 1.00 22.11 H new ATOM 508 N CYS A 36 6.995 2.334 -18.632 1.00 70.44 N ATOM 509 CA CYS A 36 8.395 2.282 -19.034 1.00 43.45 C ATOM 510 C CYS A 36 9.040 3.662 -18.939 1.00 14.34 C ATOM 511 O CYS A 36 8.694 4.573 -19.691 1.00 34.32 O ATOM 512 CB CYS A 36 8.518 1.748 -20.463 1.00 2.21 C ATOM 513 SG CYS A 36 8.006 0.010 -20.653 1.00 42.35 S ATOM 0 H CYS A 36 6.335 2.385 -19.408 1.00 70.44 H new ATOM 0 HA CYS A 36 8.917 1.608 -18.355 1.00 43.45 H new ATOM 0 HB2 CYS A 36 7.913 2.368 -21.125 1.00 2.21 H new ATOM 0 HB3 CYS A 36 9.553 1.849 -20.789 1.00 2.21 H new ATOM 518 N GLN A 37 9.978 3.808 -18.008 1.00 72.15 N ATOM 519 CA GLN A 37 10.670 5.076 -17.814 1.00 51.52 C ATOM 520 C GLN A 37 11.862 5.197 -18.758 1.00 74.33 C ATOM 521 O GLN A 37 12.987 4.848 -18.401 1.00 34.24 O ATOM 522 CB GLN A 37 11.138 5.210 -16.364 1.00 34.51 C ATOM 523 CG GLN A 37 10.342 6.224 -15.559 1.00 11.14 C ATOM 524 CD GLN A 37 10.370 7.609 -16.174 1.00 51.13 C ATOM 525 OE1 GLN A 37 11.133 7.872 -17.105 1.00 14.35 O ATOM 526 NE2 GLN A 37 9.536 8.504 -15.658 1.00 31.15 N ATOM 0 H GLN A 37 10.276 3.064 -17.377 1.00 72.15 H new ATOM 0 HA GLN A 37 9.969 5.880 -18.038 1.00 51.52 H new ATOM 0 HB2 GLN A 37 11.069 4.237 -15.877 1.00 34.51 H new ATOM 0 HB3 GLN A 37 12.190 5.497 -16.355 1.00 34.51 H new ATOM 0 HG2 GLN A 37 9.308 5.887 -15.478 1.00 11.14 H new ATOM 0 HG3 GLN A 37 10.742 6.272 -14.546 1.00 11.14 H new ATOM 0 HE21 GLN A 37 8.921 8.243 -14.887 1.00 31.15 H new ATOM 0 HE22 GLN A 37 9.510 9.452 -16.033 1.00 31.15 H new ATOM 535 N TRP A 38 11.607 5.692 -19.964 1.00 72.50 N ATOM 536 CA TRP A 38 12.659 5.857 -20.960 1.00 44.10 C ATOM 537 C TRP A 38 13.383 7.186 -20.771 1.00 62.34 C ATOM 538 O TRP A 38 13.051 8.181 -21.414 1.00 22.01 O ATOM 539 CB TRP A 38 12.073 5.778 -22.370 1.00 75.33 C ATOM 540 CG TRP A 38 12.327 4.465 -23.046 1.00 60.54 C ATOM 541 CD1 TRP A 38 12.525 3.256 -22.442 1.00 2.13 C ATOM 542 CD2 TRP A 38 12.412 4.229 -24.456 1.00 65.20 C ATOM 543 NE1 TRP A 38 12.729 2.283 -23.391 1.00 12.44 N ATOM 544 CE2 TRP A 38 12.664 2.854 -24.634 1.00 55.20 C ATOM 545 CE3 TRP A 38 12.299 5.044 -25.585 1.00 42.40 C ATOM 546 CZ2 TRP A 38 12.804 2.281 -25.895 1.00 21.31 C ATOM 547 CZ3 TRP A 38 12.439 4.474 -26.836 1.00 23.32 C ATOM 548 CH2 TRP A 38 12.689 3.103 -26.983 1.00 34.32 C ATOM 0 H TRP A 38 10.681 5.986 -20.275 1.00 72.50 H new ATOM 0 HA TRP A 38 13.379 5.049 -20.828 1.00 44.10 H new ATOM 0 HB2 TRP A 38 10.998 5.950 -22.319 1.00 75.33 H new ATOM 0 HB3 TRP A 38 12.496 6.579 -22.977 1.00 75.33 H new ATOM 0 HD1 TRP A 38 12.522 3.089 -21.375 1.00 2.13 H new ATOM 0 HE1 TRP A 38 12.901 1.296 -23.200 1.00 12.44 H new ATOM 0 HE3 TRP A 38 12.106 6.102 -25.482 1.00 42.40 H new ATOM 0 HZ2 TRP A 38 12.997 1.225 -26.011 1.00 21.31 H new ATOM 0 HZ3 TRP A 38 12.354 5.096 -27.715 1.00 23.32 H new ATOM 0 HH2 TRP A 38 12.793 2.687 -27.974 1.00 34.32 H new ATOM 559 N GLY A 39 14.375 7.194 -19.886 1.00 12.35 N ATOM 560 CA GLY A 39 15.130 8.407 -19.629 1.00 33.11 C ATOM 561 C GLY A 39 15.000 8.878 -18.194 1.00 24.52 C ATOM 562 O GLY A 39 14.475 9.959 -17.933 1.00 31.23 O ATOM 0 H GLY A 39 14.669 6.383 -19.342 1.00 12.35 H new ATOM 0 HA2 GLY A 39 16.181 8.232 -19.857 1.00 33.11 H new ATOM 0 HA3 GLY A 39 14.786 9.195 -20.299 1.00 33.11 H new ATOM 566 N GLY A 40 15.480 8.062 -17.259 1.00 40.04 N ATOM 567 CA GLY A 40 15.404 8.418 -15.854 1.00 61.45 C ATOM 568 C GLY A 40 16.753 8.354 -15.167 1.00 4.43 C ATOM 569 O GLY A 40 17.794 8.496 -15.809 1.00 51.44 O ATOM 0 H GLY A 40 15.920 7.162 -17.450 1.00 40.04 H new ATOM 0 HA2 GLY A 40 14.999 9.425 -15.759 1.00 61.45 H new ATOM 0 HA3 GLY A 40 14.710 7.746 -15.349 1.00 61.45 H new ATOM 573 N LYS A 41 16.738 8.142 -13.855 1.00 52.32 N ATOM 574 CA LYS A 41 17.969 8.061 -13.078 1.00 71.01 C ATOM 575 C LYS A 41 18.940 7.063 -13.701 1.00 4.43 C ATOM 576 O LYS A 41 20.112 7.375 -13.917 1.00 12.14 O ATOM 577 CB LYS A 41 17.660 7.655 -11.635 1.00 54.32 C ATOM 578 CG LYS A 41 18.416 8.469 -10.599 1.00 54.12 C ATOM 579 CD LYS A 41 19.864 8.023 -10.488 1.00 52.11 C ATOM 580 CE LYS A 41 20.626 8.854 -9.467 1.00 61.22 C ATOM 581 NZ LYS A 41 22.076 8.515 -9.447 1.00 60.44 N ATOM 0 H LYS A 41 15.886 8.023 -13.307 1.00 52.32 H new ATOM 0 HA LYS A 41 18.436 9.046 -13.080 1.00 71.01 H new ATOM 0 HB2 LYS A 41 16.590 7.761 -11.458 1.00 54.32 H new ATOM 0 HB3 LYS A 41 17.902 6.600 -11.503 1.00 54.32 H new ATOM 0 HG2 LYS A 41 18.379 9.525 -10.867 1.00 54.12 H new ATOM 0 HG3 LYS A 41 17.928 8.369 -9.629 1.00 54.12 H new ATOM 0 HD2 LYS A 41 19.901 6.971 -10.204 1.00 52.11 H new ATOM 0 HD3 LYS A 41 20.348 8.107 -11.461 1.00 52.11 H new ATOM 0 HE2 LYS A 41 20.504 9.913 -9.696 1.00 61.22 H new ATOM 0 HE3 LYS A 41 20.201 8.691 -8.476 1.00 61.22 H new ATOM 0 HZ1 LYS A 41 22.560 9.103 -8.739 1.00 60.44 H new ATOM 0 HZ2 LYS A 41 22.194 7.511 -9.203 1.00 60.44 H new ATOM 0 HZ3 LYS A 41 22.487 8.694 -10.385 1.00 60.44 H new ATOM 595 N TYR A 42 18.446 5.864 -13.988 1.00 44.31 N ATOM 596 CA TYR A 42 19.271 4.821 -14.585 1.00 64.12 C ATOM 597 C TYR A 42 19.005 4.707 -16.083 1.00 64.51 C ATOM 598 O TYR A 42 19.211 3.652 -16.683 1.00 50.41 O ATOM 599 CB TYR A 42 19.004 3.478 -13.904 1.00 74.44 C ATOM 600 CG TYR A 42 19.407 3.446 -12.448 1.00 4.04 C ATOM 601 CD1 TYR A 42 20.746 3.423 -12.078 1.00 23.24 C ATOM 602 CD2 TYR A 42 18.449 3.440 -11.441 1.00 44.41 C ATOM 603 CE1 TYR A 42 21.119 3.393 -10.748 1.00 5.11 C ATOM 604 CE2 TYR A 42 18.813 3.412 -10.109 1.00 4.23 C ATOM 605 CZ TYR A 42 20.150 3.388 -9.767 1.00 55.12 C ATOM 606 OH TYR A 42 20.517 3.360 -8.441 1.00 42.05 O ATOM 0 H TYR A 42 17.478 5.590 -13.817 1.00 44.31 H new ATOM 0 HA TYR A 42 20.317 5.092 -14.440 1.00 64.12 H new ATOM 0 HB2 TYR A 42 17.942 3.245 -13.983 1.00 74.44 H new ATOM 0 HB3 TYR A 42 19.543 2.696 -14.439 1.00 74.44 H new ATOM 0 HD1 TYR A 42 21.508 3.429 -12.843 1.00 23.24 H new ATOM 0 HD2 TYR A 42 17.402 3.458 -11.705 1.00 44.41 H new ATOM 0 HE1 TYR A 42 22.165 3.374 -10.478 1.00 5.11 H new ATOM 0 HE2 TYR A 42 18.056 3.409 -9.339 1.00 4.23 H new ATOM 0 HH TYR A 42 19.714 3.361 -7.879 1.00 42.05 H new ATOM 616 N GLY A 43 18.547 5.802 -16.682 1.00 34.34 N ATOM 617 CA GLY A 43 18.260 5.805 -18.104 1.00 70.02 C ATOM 618 C GLY A 43 16.988 5.053 -18.441 1.00 32.20 C ATOM 619 O GLY A 43 15.923 5.347 -17.900 1.00 1.24 O ATOM 0 H GLY A 43 18.370 6.687 -16.207 1.00 34.34 H new ATOM 0 HA2 GLY A 43 18.173 6.834 -18.452 1.00 70.02 H new ATOM 0 HA3 GLY A 43 19.096 5.357 -18.641 1.00 70.02 H new ATOM 623 N ASN A 44 17.098 4.079 -19.339 1.00 51.54 N ATOM 624 CA ASN A 44 15.946 3.284 -19.750 1.00 3.14 C ATOM 625 C ASN A 44 15.644 2.196 -18.724 1.00 34.00 C ATOM 626 O ASN A 44 16.266 1.134 -18.728 1.00 51.33 O ATOM 627 CB ASN A 44 16.198 2.653 -21.120 1.00 65.23 C ATOM 628 CG ASN A 44 15.632 3.486 -22.254 1.00 3.33 C ATOM 629 OD1 ASN A 44 15.263 4.645 -22.063 1.00 4.14 O ATOM 630 ND2 ASN A 44 15.561 2.898 -23.442 1.00 71.11 N ATOM 0 H ASN A 44 17.973 3.821 -19.796 1.00 51.54 H new ATOM 0 HA ASN A 44 15.083 3.947 -19.817 1.00 3.14 H new ATOM 0 HB2 ASN A 44 17.271 2.526 -21.267 1.00 65.23 H new ATOM 0 HB3 ASN A 44 15.753 1.658 -21.146 1.00 65.23 H new ATOM 0 HD21 ASN A 44 15.189 3.409 -24.243 1.00 71.11 H new ATOM 0 HD22 ASN A 44 15.879 1.935 -23.554 1.00 71.11 H new ATOM 637 N ALA A 45 14.683 2.468 -17.847 1.00 1.13 N ATOM 638 CA ALA A 45 14.296 1.512 -16.817 1.00 74.21 C ATOM 639 C ALA A 45 12.781 1.476 -16.643 1.00 61.45 C ATOM 640 O ALA A 45 12.094 2.467 -16.891 1.00 75.32 O ATOM 641 CB ALA A 45 14.972 1.854 -15.498 1.00 20.22 C ATOM 0 H ALA A 45 14.158 3.343 -17.829 1.00 1.13 H new ATOM 0 HA ALA A 45 14.623 0.522 -17.134 1.00 74.21 H new ATOM 0 HB1 ALA A 45 14.674 1.132 -14.738 1.00 20.22 H new ATOM 0 HB2 ALA A 45 16.054 1.821 -15.625 1.00 20.22 H new ATOM 0 HB3 ALA A 45 14.673 2.854 -15.185 1.00 20.22 H new ATOM 647 N CYS A 46 12.266 0.327 -16.217 1.00 44.10 N ATOM 648 CA CYS A 46 10.833 0.161 -16.011 1.00 73.32 C ATOM 649 C CYS A 46 10.415 0.689 -14.642 1.00 52.20 C ATOM 650 O CYS A 46 11.008 0.337 -13.622 1.00 52.33 O ATOM 651 CB CYS A 46 10.446 -1.314 -16.141 1.00 15.21 C ATOM 652 SG CYS A 46 8.997 -1.611 -17.205 1.00 62.30 S ATOM 0 H CYS A 46 12.821 -0.503 -16.008 1.00 44.10 H new ATOM 0 HA CYS A 46 10.312 0.736 -16.777 1.00 73.32 H new ATOM 0 HB2 CYS A 46 11.296 -1.868 -16.540 1.00 15.21 H new ATOM 0 HB3 CYS A 46 10.242 -1.714 -15.148 1.00 15.21 H new ATOM 657 N TRP A 47 9.391 1.535 -14.628 1.00 71.32 N ATOM 658 CA TRP A 47 8.893 2.112 -13.384 1.00 62.35 C ATOM 659 C TRP A 47 7.560 1.487 -12.990 1.00 33.43 C ATOM 660 O TRP A 47 6.754 1.125 -13.848 1.00 11.21 O ATOM 661 CB TRP A 47 8.738 3.627 -13.527 1.00 70.33 C ATOM 662 CG TRP A 47 8.092 4.272 -12.339 1.00 1.21 C ATOM 663 CD1 TRP A 47 6.757 4.316 -12.054 1.00 60.45 C ATOM 664 CD2 TRP A 47 8.753 4.968 -11.277 1.00 4.23 C ATOM 665 NE1 TRP A 47 6.549 4.997 -10.879 1.00 74.34 N ATOM 666 CE2 TRP A 47 7.757 5.406 -10.382 1.00 44.42 C ATOM 667 CE3 TRP A 47 10.090 5.262 -10.993 1.00 72.11 C ATOM 668 CZ2 TRP A 47 8.058 6.123 -9.227 1.00 20.33 C ATOM 669 CZ3 TRP A 47 10.386 5.973 -9.846 1.00 45.21 C ATOM 670 CH2 TRP A 47 9.375 6.396 -8.974 1.00 13.51 C ATOM 0 H TRP A 47 8.889 1.837 -15.463 1.00 71.32 H new ATOM 0 HA TRP A 47 9.618 1.901 -12.598 1.00 62.35 H new ATOM 0 HB2 TRP A 47 9.720 4.072 -13.684 1.00 70.33 H new ATOM 0 HB3 TRP A 47 8.145 3.842 -14.416 1.00 70.33 H new ATOM 0 HD1 TRP A 47 5.979 3.880 -12.663 1.00 60.45 H new ATOM 0 HE1 TRP A 47 5.641 5.170 -10.447 1.00 74.34 H new ATOM 0 HE3 TRP A 47 10.877 4.939 -11.658 1.00 72.11 H new ATOM 0 HZ2 TRP A 47 7.280 6.452 -8.555 1.00 20.33 H new ATOM 0 HZ3 TRP A 47 11.415 6.207 -9.618 1.00 45.21 H new ATOM 0 HH2 TRP A 47 9.640 6.948 -8.085 1.00 13.51 H new ATOM 681 N CYS A 48 7.332 1.362 -11.687 1.00 23.05 N ATOM 682 CA CYS A 48 6.096 0.780 -11.178 1.00 2.23 C ATOM 683 C CYS A 48 5.520 1.629 -10.048 1.00 50.32 C ATOM 684 O CYS A 48 6.261 2.201 -9.248 1.00 31.34 O ATOM 685 CB CYS A 48 6.345 -0.646 -10.682 1.00 41.25 C ATOM 686 SG CYS A 48 6.236 -1.915 -11.985 1.00 14.12 S ATOM 0 H CYS A 48 7.988 1.656 -10.964 1.00 23.05 H new ATOM 0 HA CYS A 48 5.374 0.753 -11.994 1.00 2.23 H new ATOM 0 HB2 CYS A 48 7.334 -0.693 -10.225 1.00 41.25 H new ATOM 0 HB3 CYS A 48 5.622 -0.879 -9.901 1.00 41.25 H new ATOM 691 N ILE A 49 4.195 1.707 -9.991 1.00 32.44 N ATOM 692 CA ILE A 49 3.520 2.484 -8.959 1.00 54.21 C ATOM 693 C ILE A 49 2.769 1.577 -7.990 1.00 4.24 C ATOM 694 O ILE A 49 1.943 0.761 -8.398 1.00 52.31 O ATOM 695 CB ILE A 49 2.530 3.492 -9.572 1.00 15.43 C ATOM 696 CG1 ILE A 49 3.255 4.428 -10.541 1.00 72.33 C ATOM 697 CG2 ILE A 49 1.839 4.289 -8.475 1.00 52.52 C ATOM 698 CD1 ILE A 49 2.327 5.144 -11.498 1.00 23.21 C ATOM 0 H ILE A 49 3.568 1.242 -10.647 1.00 32.44 H new ATOM 0 HA ILE A 49 4.293 3.029 -8.417 1.00 54.21 H new ATOM 0 HB ILE A 49 1.771 2.941 -10.128 1.00 15.43 H new ATOM 0 HG12 ILE A 49 3.815 5.168 -9.969 1.00 72.33 H new ATOM 0 HG13 ILE A 49 3.982 3.852 -11.114 1.00 72.33 H new ATOM 0 HG21 ILE A 49 1.142 4.997 -8.924 1.00 52.52 H new ATOM 0 HG22 ILE A 49 1.294 3.609 -7.820 1.00 52.52 H new ATOM 0 HG23 ILE A 49 2.585 4.832 -7.895 1.00 52.52 H new ATOM 0 HD11 ILE A 49 2.910 5.790 -12.155 1.00 23.21 H new ATOM 0 HD12 ILE A 49 1.786 4.411 -12.097 1.00 23.21 H new ATOM 0 HD13 ILE A 49 1.616 5.747 -10.933 1.00 23.21 H new ATOM 710 N LYS A 50 3.062 1.726 -6.702 1.00 52.21 N ATOM 711 CA LYS A 50 2.414 0.923 -5.672 1.00 14.41 C ATOM 712 C LYS A 50 2.732 -0.557 -5.855 1.00 22.01 C ATOM 713 O LYS A 50 1.971 -1.293 -6.485 1.00 22.14 O ATOM 714 CB LYS A 50 0.899 1.138 -5.707 1.00 12.11 C ATOM 715 CG LYS A 50 0.403 2.142 -4.680 1.00 72.24 C ATOM 716 CD LYS A 50 0.236 3.524 -5.288 1.00 13.40 C ATOM 717 CE LYS A 50 0.172 4.601 -4.215 1.00 61.31 C ATOM 718 NZ LYS A 50 -0.991 4.409 -3.305 1.00 71.13 N ATOM 0 H LYS A 50 3.744 2.396 -6.347 1.00 52.21 H new ATOM 0 HA LYS A 50 2.798 1.242 -4.703 1.00 14.41 H new ATOM 0 HB2 LYS A 50 0.611 1.477 -6.702 1.00 12.11 H new ATOM 0 HB3 LYS A 50 0.401 0.183 -5.539 1.00 12.11 H new ATOM 0 HG2 LYS A 50 -0.550 1.806 -4.271 1.00 72.24 H new ATOM 0 HG3 LYS A 50 1.106 2.192 -3.849 1.00 72.24 H new ATOM 0 HD2 LYS A 50 1.068 3.729 -5.962 1.00 13.40 H new ATOM 0 HD3 LYS A 50 -0.674 3.551 -5.887 1.00 13.40 H new ATOM 0 HE2 LYS A 50 1.094 4.589 -3.634 1.00 61.31 H new ATOM 0 HE3 LYS A 50 0.105 5.581 -4.688 1.00 61.31 H new ATOM 0 HZ1 LYS A 50 -1.048 5.208 -2.642 1.00 71.13 H new ATOM 0 HZ2 LYS A 50 -1.866 4.360 -3.865 1.00 71.13 H new ATOM 0 HZ3 LYS A 50 -0.872 3.524 -2.772 1.00 71.13 H new ATOM 732 N LEU A 51 3.860 -0.988 -5.300 1.00 53.32 N ATOM 733 CA LEU A 51 4.278 -2.382 -5.401 1.00 2.41 C ATOM 734 C LEU A 51 4.395 -3.016 -4.019 1.00 34.51 C ATOM 735 O LEU A 51 4.830 -2.387 -3.054 1.00 73.23 O ATOM 736 CB LEU A 51 5.617 -2.481 -6.135 1.00 12.04 C ATOM 737 CG LEU A 51 5.705 -3.546 -7.228 1.00 42.14 C ATOM 738 CD1 LEU A 51 6.281 -2.953 -8.505 1.00 24.30 C ATOM 739 CD2 LEU A 51 6.546 -4.724 -6.759 1.00 35.43 C ATOM 0 H LEU A 51 4.501 -0.392 -4.776 1.00 53.32 H new ATOM 0 HA LEU A 51 3.520 -2.924 -5.966 1.00 2.41 H new ATOM 0 HB2 LEU A 51 5.836 -1.511 -6.582 1.00 12.04 H new ATOM 0 HB3 LEU A 51 6.398 -2.677 -5.400 1.00 12.04 H new ATOM 0 HG LEU A 51 4.698 -3.906 -7.440 1.00 42.14 H new ATOM 0 HD11 LEU A 51 6.336 -3.725 -9.272 1.00 24.30 H new ATOM 0 HD12 LEU A 51 5.640 -2.143 -8.852 1.00 24.30 H new ATOM 0 HD13 LEU A 51 7.280 -2.565 -8.308 1.00 24.30 H new ATOM 0 HD21 LEU A 51 6.597 -5.472 -7.550 1.00 35.43 H new ATOM 0 HD22 LEU A 51 7.552 -4.380 -6.519 1.00 35.43 H new ATOM 0 HD23 LEU A 51 6.092 -5.165 -5.872 1.00 35.43 H new ATOM 751 N PRO A 52 3.999 -4.294 -3.919 1.00 73.11 N ATOM 752 CA PRO A 52 4.052 -5.043 -2.660 1.00 74.32 C ATOM 753 C PRO A 52 5.481 -5.350 -2.228 1.00 23.12 C ATOM 754 O PRO A 52 6.383 -5.453 -3.060 1.00 10.22 O ATOM 755 CB PRO A 52 3.302 -6.338 -2.986 1.00 0.42 C ATOM 756 CG PRO A 52 3.446 -6.498 -4.460 1.00 21.22 C ATOM 757 CD PRO A 52 3.469 -5.106 -5.028 1.00 24.03 C ATOM 0 HA PRO A 52 3.620 -4.480 -1.833 1.00 74.32 H new ATOM 0 HB2 PRO A 52 3.728 -7.187 -2.452 1.00 0.42 H new ATOM 0 HB3 PRO A 52 2.254 -6.272 -2.695 1.00 0.42 H new ATOM 0 HG2 PRO A 52 4.362 -7.035 -4.706 1.00 21.22 H new ATOM 0 HG3 PRO A 52 2.618 -7.074 -4.873 1.00 21.22 H new ATOM 0 HD2 PRO A 52 4.104 -5.043 -5.912 1.00 24.03 H new ATOM 0 HD3 PRO A 52 2.474 -4.777 -5.327 1.00 24.03 H new ATOM 765 N ASP A 53 5.681 -5.496 -0.923 1.00 4.33 N ATOM 766 CA ASP A 53 7.002 -5.793 -0.380 1.00 10.50 C ATOM 767 C ASP A 53 7.567 -7.070 -0.993 1.00 51.03 C ATOM 768 O ASP A 53 8.782 -7.245 -1.077 1.00 65.22 O ATOM 769 CB ASP A 53 6.932 -5.930 1.142 1.00 64.13 C ATOM 770 CG ASP A 53 8.054 -5.188 1.842 1.00 71.40 C ATOM 771 OD1 ASP A 53 9.139 -5.047 1.240 1.00 60.13 O ATOM 772 OD2 ASP A 53 7.846 -4.748 2.992 1.00 63.41 O ATOM 0 H ASP A 53 4.945 -5.414 -0.221 1.00 4.33 H new ATOM 0 HA ASP A 53 7.666 -4.966 -0.632 1.00 10.50 H new ATOM 0 HB2 ASP A 53 5.973 -5.550 1.494 1.00 64.13 H new ATOM 0 HB3 ASP A 53 6.975 -6.985 1.411 1.00 64.13 H new ATOM 777 N SER A 54 6.676 -7.960 -1.420 1.00 3.24 N ATOM 778 CA SER A 54 7.086 -9.224 -2.021 1.00 0.43 C ATOM 779 C SER A 54 8.137 -8.995 -3.103 1.00 20.12 C ATOM 780 O SER A 54 9.006 -9.837 -3.328 1.00 24.11 O ATOM 781 CB SER A 54 5.875 -9.946 -2.614 1.00 64.53 C ATOM 782 OG SER A 54 5.487 -11.041 -1.803 1.00 34.23 O ATOM 0 H SER A 54 5.666 -7.829 -1.361 1.00 3.24 H new ATOM 0 HA SER A 54 7.524 -9.845 -1.240 1.00 0.43 H new ATOM 0 HB2 SER A 54 5.043 -9.248 -2.711 1.00 64.53 H new ATOM 0 HB3 SER A 54 6.113 -10.299 -3.617 1.00 64.53 H new ATOM 0 HG SER A 54 4.710 -11.485 -2.203 1.00 34.23 H new ATOM 788 N VAL A 55 8.050 -7.849 -3.771 1.00 2.14 N ATOM 789 CA VAL A 55 8.993 -7.507 -4.829 1.00 23.33 C ATOM 790 C VAL A 55 9.511 -6.083 -4.665 1.00 12.33 C ATOM 791 O VAL A 55 8.975 -5.132 -5.235 1.00 4.23 O ATOM 792 CB VAL A 55 8.351 -7.651 -6.221 1.00 71.42 C ATOM 793 CG1 VAL A 55 9.304 -7.164 -7.302 1.00 13.10 C ATOM 794 CG2 VAL A 55 7.941 -9.095 -6.472 1.00 10.24 C ATOM 0 H VAL A 55 7.336 -7.142 -3.598 1.00 2.14 H new ATOM 0 HA VAL A 55 9.826 -8.205 -4.747 1.00 23.33 H new ATOM 0 HB VAL A 55 7.455 -7.031 -6.254 1.00 71.42 H new ATOM 0 HG11 VAL A 55 8.833 -7.274 -8.279 1.00 13.10 H new ATOM 0 HG12 VAL A 55 9.543 -6.115 -7.130 1.00 13.10 H new ATOM 0 HG13 VAL A 55 10.220 -7.754 -7.273 1.00 13.10 H new ATOM 0 HG21 VAL A 55 7.489 -9.178 -7.460 1.00 10.24 H new ATOM 0 HG22 VAL A 55 8.820 -9.737 -6.420 1.00 10.24 H new ATOM 0 HG23 VAL A 55 7.220 -9.405 -5.716 1.00 10.24 H new ATOM 804 N PRO A 56 10.578 -5.929 -3.867 1.00 63.23 N ATOM 805 CA PRO A 56 11.193 -4.623 -3.610 1.00 61.42 C ATOM 806 C PRO A 56 11.907 -4.067 -4.837 1.00 61.24 C ATOM 807 O PRO A 56 12.635 -4.786 -5.523 1.00 34.43 O ATOM 808 CB PRO A 56 12.199 -4.918 -2.494 1.00 74.34 C ATOM 809 CG PRO A 56 12.523 -6.364 -2.649 1.00 44.14 C ATOM 810 CD PRO A 56 11.268 -7.018 -3.156 1.00 32.53 C ATOM 0 HA PRO A 56 10.452 -3.868 -3.346 1.00 61.42 H new ATOM 0 HB2 PRO A 56 13.091 -4.300 -2.592 1.00 74.34 H new ATOM 0 HB3 PRO A 56 11.773 -4.711 -1.512 1.00 74.34 H new ATOM 0 HG2 PRO A 56 13.347 -6.506 -3.348 1.00 44.14 H new ATOM 0 HG3 PRO A 56 12.833 -6.798 -1.699 1.00 44.14 H new ATOM 0 HD2 PRO A 56 11.490 -7.853 -3.820 1.00 32.53 H new ATOM 0 HD3 PRO A 56 10.662 -7.412 -2.340 1.00 32.53 H new ATOM 818 N ILE A 57 11.695 -2.784 -5.108 1.00 50.25 N ATOM 819 CA ILE A 57 12.320 -2.132 -6.252 1.00 41.24 C ATOM 820 C ILE A 57 13.836 -2.297 -6.219 1.00 13.34 C ATOM 821 O ILE A 57 14.386 -2.885 -5.288 1.00 33.24 O ATOM 822 CB ILE A 57 11.979 -0.631 -6.300 1.00 44.43 C ATOM 823 CG1 ILE A 57 12.297 0.030 -4.957 1.00 34.20 C ATOM 824 CG2 ILE A 57 10.515 -0.431 -6.662 1.00 21.10 C ATOM 825 CD1 ILE A 57 13.749 0.423 -4.805 1.00 43.33 C ATOM 0 H ILE A 57 11.095 -2.175 -4.551 1.00 50.25 H new ATOM 0 HA ILE A 57 11.924 -2.615 -7.145 1.00 41.24 H new ATOM 0 HB ILE A 57 12.590 -0.159 -7.069 1.00 44.43 H new ATOM 0 HG12 ILE A 57 11.675 0.918 -4.842 1.00 34.20 H new ATOM 0 HG13 ILE A 57 12.028 -0.654 -4.152 1.00 34.20 H new ATOM 0 HG21 ILE A 57 10.290 0.635 -6.692 1.00 21.10 H new ATOM 0 HG22 ILE A 57 10.319 -0.871 -7.640 1.00 21.10 H new ATOM 0 HG23 ILE A 57 9.886 -0.914 -5.914 1.00 21.10 H new ATOM 0 HD11 ILE A 57 13.901 0.885 -3.830 1.00 43.33 H new ATOM 0 HD12 ILE A 57 14.377 -0.464 -4.888 1.00 43.33 H new ATOM 0 HD13 ILE A 57 14.018 1.132 -5.588 1.00 43.33 H new ATOM 837 N ARG A 58 14.505 -1.772 -7.239 1.00 45.34 N ATOM 838 CA ARG A 58 15.958 -1.860 -7.326 1.00 61.05 C ATOM 839 C ARG A 58 16.620 -1.029 -6.231 1.00 31.52 C ATOM 840 O ARG A 58 16.472 0.192 -6.188 1.00 34.13 O ATOM 841 CB ARG A 58 16.438 -1.387 -8.700 1.00 13.11 C ATOM 842 CG ARG A 58 17.509 -2.275 -9.310 1.00 63.42 C ATOM 843 CD ARG A 58 18.861 -2.051 -8.651 1.00 1.21 C ATOM 844 NE ARG A 58 19.935 -2.750 -9.352 1.00 51.50 N ATOM 845 CZ ARG A 58 21.190 -2.793 -8.918 1.00 35.22 C ATOM 846 NH1 ARG A 58 21.526 -2.182 -7.790 1.00 70.13 N ATOM 847 NH2 ARG A 58 22.111 -3.450 -9.612 1.00 15.33 N ATOM 0 H ARG A 58 14.065 -1.281 -8.017 1.00 45.34 H new ATOM 0 HA ARG A 58 16.242 -2.903 -7.188 1.00 61.05 H new ATOM 0 HB2 ARG A 58 15.585 -1.343 -9.378 1.00 13.11 H new ATOM 0 HB3 ARG A 58 16.827 -0.373 -8.610 1.00 13.11 H new ATOM 0 HG2 ARG A 58 17.220 -3.321 -9.204 1.00 63.42 H new ATOM 0 HG3 ARG A 58 17.586 -2.073 -10.378 1.00 63.42 H new ATOM 0 HD2 ARG A 58 19.079 -0.983 -8.626 1.00 1.21 H new ATOM 0 HD3 ARG A 58 18.821 -2.393 -7.617 1.00 1.21 H new ATOM 0 HE ARG A 58 19.709 -3.231 -10.222 1.00 51.50 H new ATOM 0 HH11 ARG A 58 20.820 -1.678 -7.253 1.00 70.13 H new ATOM 0 HH12 ARG A 58 22.490 -2.217 -7.459 1.00 70.13 H new ATOM 0 HH21 ARG A 58 21.856 -3.922 -10.479 1.00 15.33 H new ATOM 0 HH22 ARG A 58 23.074 -3.483 -9.278 1.00 15.33 H new ATOM 861 N VAL A 59 17.351 -1.701 -5.346 1.00 55.22 N ATOM 862 CA VAL A 59 18.036 -1.025 -4.251 1.00 33.43 C ATOM 863 C VAL A 59 19.466 -0.664 -4.636 1.00 72.42 C ATOM 864 O VAL A 59 20.068 -1.270 -5.523 1.00 30.53 O ATOM 865 CB VAL A 59 18.062 -1.899 -2.982 1.00 45.41 C ATOM 866 CG1 VAL A 59 16.673 -1.997 -2.372 1.00 13.11 C ATOM 867 CG2 VAL A 59 18.614 -3.281 -3.299 1.00 12.43 C ATOM 0 H VAL A 59 17.484 -2.712 -5.366 1.00 55.22 H new ATOM 0 HA VAL A 59 17.478 -0.112 -4.044 1.00 33.43 H new ATOM 0 HB VAL A 59 18.720 -1.429 -2.251 1.00 45.41 H new ATOM 0 HG11 VAL A 59 16.712 -2.618 -1.477 1.00 13.11 H new ATOM 0 HG12 VAL A 59 16.321 -1.000 -2.107 1.00 13.11 H new ATOM 0 HG13 VAL A 59 15.989 -2.443 -3.094 1.00 13.11 H new ATOM 0 HG21 VAL A 59 18.625 -3.885 -2.392 1.00 12.43 H new ATOM 0 HG22 VAL A 59 17.984 -3.762 -4.047 1.00 12.43 H new ATOM 0 HG23 VAL A 59 19.629 -3.188 -3.685 1.00 12.43 H new ATOM 877 N PRO A 60 20.025 0.347 -3.955 1.00 71.21 N ATOM 878 CA PRO A 60 21.392 0.811 -4.208 1.00 1.20 C ATOM 879 C PRO A 60 22.441 -0.201 -3.759 1.00 15.35 C ATOM 880 O PRO A 60 22.716 -0.336 -2.567 1.00 73.42 O ATOM 881 CB PRO A 60 21.492 2.091 -3.374 1.00 70.10 C ATOM 882 CG PRO A 60 20.490 1.913 -2.286 1.00 52.32 C ATOM 883 CD PRO A 60 19.366 1.114 -2.885 1.00 54.32 C ATOM 0 HA PRO A 60 21.581 0.962 -5.271 1.00 1.20 H new ATOM 0 HB2 PRO A 60 22.496 2.223 -2.970 1.00 70.10 H new ATOM 0 HB3 PRO A 60 21.272 2.973 -3.975 1.00 70.10 H new ATOM 0 HG2 PRO A 60 20.928 1.393 -1.434 1.00 52.32 H new ATOM 0 HG3 PRO A 60 20.133 2.877 -1.922 1.00 52.32 H new ATOM 0 HD2 PRO A 60 18.902 0.458 -2.148 1.00 54.32 H new ATOM 0 HD3 PRO A 60 18.580 1.759 -3.278 1.00 54.32 H new ATOM 891 N GLY A 61 23.024 -0.909 -4.721 1.00 35.32 N ATOM 892 CA GLY A 61 24.036 -1.900 -4.403 1.00 54.34 C ATOM 893 C GLY A 61 24.488 -2.678 -5.623 1.00 35.42 C ATOM 894 O GLY A 61 24.351 -2.211 -6.754 1.00 3.55 O ATOM 0 H GLY A 61 22.814 -0.814 -5.715 1.00 35.32 H new ATOM 0 HA2 GLY A 61 24.896 -1.405 -3.952 1.00 54.34 H new ATOM 0 HA3 GLY A 61 23.641 -2.593 -3.660 1.00 54.34 H new ATOM 898 N LYS A 62 25.029 -3.870 -5.395 1.00 31.13 N ATOM 899 CA LYS A 62 25.504 -4.716 -6.483 1.00 35.50 C ATOM 900 C LYS A 62 24.415 -5.686 -6.933 1.00 0.31 C ATOM 901 O LYS A 62 23.416 -5.879 -6.239 1.00 41.23 O ATOM 902 CB LYS A 62 26.746 -5.496 -6.046 1.00 1.50 C ATOM 903 CG LYS A 62 28.052 -4.811 -6.410 1.00 63.32 C ATOM 904 CD LYS A 62 29.243 -5.728 -6.185 1.00 44.53 C ATOM 905 CE LYS A 62 30.531 -4.936 -6.016 1.00 22.14 C ATOM 906 NZ LYS A 62 31.583 -5.730 -5.323 1.00 22.52 N ATOM 0 H LYS A 62 25.149 -4.272 -4.465 1.00 31.13 H new ATOM 0 HA LYS A 62 25.764 -4.072 -7.323 1.00 35.50 H new ATOM 0 HB2 LYS A 62 26.711 -5.644 -4.967 1.00 1.50 H new ATOM 0 HB3 LYS A 62 26.724 -6.485 -6.504 1.00 1.50 H new ATOM 0 HG2 LYS A 62 28.023 -4.501 -7.454 1.00 63.32 H new ATOM 0 HG3 LYS A 62 28.169 -3.907 -5.812 1.00 63.32 H new ATOM 0 HD2 LYS A 62 29.071 -6.339 -5.299 1.00 44.53 H new ATOM 0 HD3 LYS A 62 29.342 -6.411 -7.029 1.00 44.53 H new ATOM 0 HE2 LYS A 62 30.897 -4.624 -6.994 1.00 22.14 H new ATOM 0 HE3 LYS A 62 30.327 -4.028 -5.448 1.00 22.14 H new ATOM 0 HZ1 LYS A 62 32.445 -5.156 -5.227 1.00 22.52 H new ATOM 0 HZ2 LYS A 62 31.244 -6.006 -4.379 1.00 22.52 H new ATOM 0 HZ3 LYS A 62 31.796 -6.583 -5.878 1.00 22.52 H new ATOM 920 N CYS A 63 24.615 -6.294 -8.097 1.00 63.11 N ATOM 921 CA CYS A 63 23.652 -7.244 -8.640 1.00 31.45 C ATOM 922 C CYS A 63 24.172 -8.674 -8.520 1.00 71.14 C ATOM 923 O CYS A 63 25.369 -8.923 -8.661 1.00 11.23 O ATOM 924 CB CYS A 63 23.353 -6.919 -10.104 1.00 74.33 C ATOM 925 SG CYS A 63 22.287 -8.142 -10.935 1.00 2.34 S ATOM 0 H CYS A 63 25.436 -6.145 -8.683 1.00 63.11 H new ATOM 0 HA CYS A 63 22.732 -7.161 -8.062 1.00 31.45 H new ATOM 0 HB2 CYS A 63 22.875 -5.941 -10.158 1.00 74.33 H new ATOM 0 HB3 CYS A 63 24.295 -6.844 -10.648 1.00 74.33 H new ATOM 930 N GLN A 64 23.263 -9.609 -8.261 1.00 2.30 N ATOM 931 CA GLN A 64 23.630 -11.013 -8.123 1.00 24.04 C ATOM 932 C GLN A 64 22.594 -11.915 -8.785 1.00 50.53 C ATOM 933 O GLN A 64 21.611 -11.436 -9.352 1.00 12.11 O ATOM 934 CB GLN A 64 23.774 -11.381 -6.645 1.00 33.31 C ATOM 935 CG GLN A 64 25.214 -11.595 -6.208 1.00 70.11 C ATOM 936 CD GLN A 64 25.319 -12.265 -4.852 1.00 43.22 C ATOM 937 OE1 GLN A 64 25.546 -13.472 -4.759 1.00 14.41 O ATOM 938 NE2 GLN A 64 25.156 -11.483 -3.791 1.00 74.22 N ATOM 0 H GLN A 64 22.268 -9.419 -8.143 1.00 2.30 H new ATOM 0 HA GLN A 64 24.587 -11.163 -8.623 1.00 24.04 H new ATOM 0 HB2 GLN A 64 23.333 -10.591 -6.038 1.00 33.31 H new ATOM 0 HB3 GLN A 64 23.205 -12.289 -6.448 1.00 33.31 H new ATOM 0 HG2 GLN A 64 25.728 -12.205 -6.951 1.00 70.11 H new ATOM 0 HG3 GLN A 64 25.726 -10.633 -6.175 1.00 70.11 H new ATOM 0 HE21 GLN A 64 24.970 -10.488 -3.915 1.00 74.22 H new ATOM 0 HE22 GLN A 64 25.217 -11.878 -2.852 1.00 74.22 H new