USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 530 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 5 HIS : no HD1:sc= -1.05 K(o=-2.9,f=-6.4!) USER MOD Set 1.2: A 73 ASN : amide:sc= -1.86 K(o=-2.9,f=-15!) USER MOD Set 2.1: A 33 TYR OH : rot 152:sc= -0.233 USER MOD Set 2.2: A 63 THR OG1 : rot -170:sc= 0.9 USER MOD Set 3.1: A 35 THR OG1 : rot 128:sc= 0.564 USER MOD Set 3.2: A 37 THR OG1 : rot 180:sc= 0.23 USER MOD Set 4.1: A 29 THR OG1 : rot 100:sc= -0.959 USER MOD Set 4.2: A 43 LYS NZ :NH3+ 156:sc= -0.124 (180deg=-1.83!) USER MOD Set 5.1: A 28 MET CE :methyl -126:sc= -0.295 (180deg=0) USER MOD Set 5.2: A 30 THR OG1 : rot -170:sc=-0.00219 USER MOD Set 5.3: A 64 THR OG1 : rot 174:sc= -1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.558 K(o=-0.56,f=-1.9!) USER MOD Single : A 13 ASN : amide:sc= -2.42 K(o=-2.4,f=-4.1!) USER MOD Single : A 16 ASN : amide:sc= 0.535 K(o=0.53,f=-0.54) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -131:sc= 0 (180deg=-0.00158) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 168:sc= 0 (180deg=-0.00838) USER MOD Single : A 40 LYS NZ :NH3+ -110:sc= -1.04 (180deg=-2.98!) USER MOD Single : A 42 SER OG : rot -8:sc= 0.187! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 120:sc= 0.844 USER MOD Single : A 54 TYR OH : rot 139:sc= -0.611 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.625 USER MOD Single : A 59 LYS NZ :NH3+ 142:sc= -0.361 (180deg=-1.6!) USER MOD Single : A 60 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.35) USER MOD Single : A 62 SER OG : rot 19:sc= 0.143 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2 K(o=-2,f=-1.3) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.585 -5.041 -1.607 1.00 4.34 N ATOM 2 CA MET A 1 -1.549 -4.075 -1.956 1.00 22.40 C ATOM 3 C MET A 1 -0.218 -4.449 -1.312 1.00 65.50 C ATOM 4 O MET A 1 0.053 -4.087 -0.166 1.00 41.13 O ATOM 5 CB MET A 1 -1.963 -2.669 -1.518 1.00 33.40 C ATOM 6 CG MET A 1 -2.794 -1.930 -2.555 1.00 4.05 C ATOM 7 SD MET A 1 -2.967 -0.174 -2.182 1.00 64.31 S ATOM 8 CE MET A 1 -3.811 0.402 -3.653 1.00 2.21 C ATOM 0 H1 MET A 1 -3.482 -4.766 -2.056 1.00 4.34 H new ATOM 0 H2 MET A 1 -2.306 -5.985 -1.941 1.00 4.34 H new ATOM 0 H3 MET A 1 -2.707 -5.061 -0.574 1.00 4.34 H new ATOM 0 HA MET A 1 -1.425 -4.088 -3.039 1.00 22.40 H new ATOM 0 HB2 MET A 1 -2.532 -2.739 -0.591 1.00 33.40 H new ATOM 0 HB3 MET A 1 -1.068 -2.087 -1.300 1.00 33.40 H new ATOM 0 HG2 MET A 1 -2.332 -2.046 -3.535 1.00 4.05 H new ATOM 0 HG3 MET A 1 -3.783 -2.384 -2.614 1.00 4.05 H new ATOM 0 HE1 MET A 1 -3.990 1.474 -3.573 1.00 2.21 H new ATOM 0 HE2 MET A 1 -3.194 0.201 -4.529 1.00 2.21 H new ATOM 0 HE3 MET A 1 -4.764 -0.118 -3.753 1.00 2.21 H new ATOM 18 N LEU A 2 0.610 -5.176 -2.055 1.00 21.35 N ATOM 19 CA LEU A 2 1.914 -5.600 -1.556 1.00 12.15 C ATOM 20 C LEU A 2 3.008 -4.637 -2.005 1.00 61.13 C ATOM 21 O LEU A 2 2.914 -4.030 -3.072 1.00 3.40 O ATOM 22 CB LEU A 2 2.233 -7.015 -2.041 1.00 54.02 C ATOM 23 CG LEU A 2 3.545 -7.618 -1.538 1.00 15.23 C ATOM 24 CD1 LEU A 2 3.432 -7.989 -0.067 1.00 73.22 C ATOM 25 CD2 LEU A 2 3.926 -8.834 -2.369 1.00 4.10 C ATOM 0 H LEU A 2 0.402 -5.484 -3.005 1.00 21.35 H new ATOM 0 HA LEU A 2 1.877 -5.596 -0.467 1.00 12.15 H new ATOM 0 HB2 LEU A 2 1.416 -7.672 -1.742 1.00 54.02 H new ATOM 0 HB3 LEU A 2 2.254 -7.008 -3.131 1.00 54.02 H new ATOM 0 HG LEU A 2 4.331 -6.870 -1.644 1.00 15.23 H new ATOM 0 HD11 LEU A 2 4.375 -8.417 0.274 1.00 73.22 H new ATOM 0 HD12 LEU A 2 3.206 -7.097 0.517 1.00 73.22 H new ATOM 0 HD13 LEU A 2 2.634 -8.720 0.064 1.00 73.22 H new ATOM 0 HD21 LEU A 2 4.862 -9.250 -1.997 1.00 4.10 H new ATOM 0 HD22 LEU A 2 3.140 -9.586 -2.295 1.00 4.10 H new ATOM 0 HD23 LEU A 2 4.049 -8.539 -3.411 1.00 4.10 H new ATOM 37 N ASP A 3 4.045 -4.505 -1.186 1.00 45.32 N ATOM 38 CA ASP A 3 5.160 -3.618 -1.501 1.00 31.30 C ATOM 39 C ASP A 3 6.429 -4.418 -1.779 1.00 32.33 C ATOM 40 O ASP A 3 6.804 -5.298 -1.002 1.00 54.44 O ATOM 41 CB ASP A 3 5.401 -2.639 -0.351 1.00 60.01 C ATOM 42 CG ASP A 3 4.110 -2.175 0.294 1.00 2.23 C ATOM 43 OD1 ASP A 3 3.478 -2.984 1.006 1.00 53.43 O ATOM 44 OD2 ASP A 3 3.733 -1.002 0.089 1.00 72.51 O ATOM 0 H ASP A 3 4.138 -5.000 -0.299 1.00 45.32 H new ATOM 0 HA ASP A 3 4.903 -3.056 -2.399 1.00 31.30 H new ATOM 0 HB2 ASP A 3 6.029 -3.115 0.402 1.00 60.01 H new ATOM 0 HB3 ASP A 3 5.949 -1.774 -0.723 1.00 60.01 H new ATOM 49 N CYS A 4 7.086 -4.108 -2.891 1.00 73.55 N ATOM 50 CA CYS A 4 8.312 -4.799 -3.274 1.00 14.33 C ATOM 51 C CYS A 4 9.314 -3.826 -3.888 1.00 64.32 C ATOM 52 O CYS A 4 8.960 -2.709 -4.268 1.00 23.55 O ATOM 53 CB CYS A 4 8.001 -5.922 -4.265 1.00 23.45 C ATOM 54 SG CYS A 4 6.579 -6.958 -3.792 1.00 62.43 S ATOM 0 H CYS A 4 6.790 -3.382 -3.544 1.00 73.55 H new ATOM 0 HA CYS A 4 8.754 -5.230 -2.375 1.00 14.33 H new ATOM 0 HB2 CYS A 4 7.808 -5.485 -5.245 1.00 23.45 H new ATOM 0 HB3 CYS A 4 8.881 -6.557 -4.367 1.00 23.45 H new ATOM 59 N HIS A 5 10.568 -4.259 -3.984 1.00 13.04 N ATOM 60 CA HIS A 5 11.622 -3.428 -4.553 1.00 2.50 C ATOM 61 C HIS A 5 11.643 -3.542 -6.074 1.00 60.42 C ATOM 62 O HIS A 5 12.017 -4.579 -6.624 1.00 1.43 O ATOM 63 CB HIS A 5 12.982 -3.829 -3.981 1.00 21.01 C ATOM 64 CG HIS A 5 13.198 -3.371 -2.571 1.00 51.24 C ATOM 65 ND1 HIS A 5 13.712 -2.131 -2.253 1.00 70.43 N ATOM 66 CD2 HIS A 5 12.964 -3.993 -1.392 1.00 63.45 C ATOM 67 CE1 HIS A 5 13.787 -2.012 -0.940 1.00 30.32 C ATOM 68 NE2 HIS A 5 13.339 -3.128 -0.394 1.00 32.41 N ATOM 0 H HIS A 5 10.878 -5.180 -3.675 1.00 13.04 H new ATOM 0 HA HIS A 5 11.416 -2.391 -4.287 1.00 2.50 H new ATOM 0 HB2 HIS A 5 13.078 -4.914 -4.020 1.00 21.01 H new ATOM 0 HB3 HIS A 5 13.769 -3.416 -4.613 1.00 21.01 H new ATOM 0 HD2 HIS A 5 12.558 -4.985 -1.261 1.00 63.45 H new ATOM 0 HE1 HIS A 5 14.153 -1.149 -0.404 1.00 30.32 H new ATOM 0 HE2 HIS A 5 13.281 -3.317 0.607 1.00 32.41 H new ATOM 76 N VAL A 6 11.238 -2.471 -6.749 1.00 71.54 N ATOM 77 CA VAL A 6 11.210 -2.452 -8.207 1.00 63.00 C ATOM 78 C VAL A 6 12.335 -1.588 -8.766 1.00 52.15 C ATOM 79 O VAL A 6 12.291 -0.360 -8.680 1.00 22.31 O ATOM 80 CB VAL A 6 9.862 -1.927 -8.736 1.00 4.21 C ATOM 81 CG1 VAL A 6 9.835 -1.961 -10.256 1.00 45.44 C ATOM 82 CG2 VAL A 6 8.712 -2.735 -8.156 1.00 74.20 C ATOM 0 H VAL A 6 10.925 -1.605 -6.310 1.00 71.54 H new ATOM 0 HA VAL A 6 11.346 -3.481 -8.540 1.00 63.00 H new ATOM 0 HB VAL A 6 9.745 -0.891 -8.418 1.00 4.21 H new ATOM 0 HG11 VAL A 6 8.875 -1.587 -10.611 1.00 45.44 H new ATOM 0 HG12 VAL A 6 10.636 -1.335 -10.648 1.00 45.44 H new ATOM 0 HG13 VAL A 6 9.974 -2.986 -10.600 1.00 45.44 H new ATOM 0 HG21 VAL A 6 7.767 -2.351 -8.540 1.00 74.20 H new ATOM 0 HG22 VAL A 6 8.822 -3.781 -8.442 1.00 74.20 H new ATOM 0 HG23 VAL A 6 8.722 -2.653 -7.069 1.00 74.20 H new ATOM 92 N CYS A 7 13.342 -2.237 -9.341 1.00 51.43 N ATOM 93 CA CYS A 7 14.479 -1.529 -9.916 1.00 5.30 C ATOM 94 C CYS A 7 15.445 -2.503 -10.585 1.00 53.24 C ATOM 95 O CYS A 7 15.275 -3.719 -10.499 1.00 3.45 O ATOM 96 CB CYS A 7 15.211 -0.732 -8.834 1.00 14.23 C ATOM 97 SG CYS A 7 15.787 -1.740 -7.430 1.00 0.30 S ATOM 0 H CYS A 7 13.393 -3.253 -9.421 1.00 51.43 H new ATOM 0 HA CYS A 7 14.101 -0.841 -10.672 1.00 5.30 H new ATOM 0 HB2 CYS A 7 16.068 -0.231 -9.284 1.00 14.23 H new ATOM 0 HB3 CYS A 7 14.547 0.047 -8.460 1.00 14.23 H new ATOM 102 N ALA A 8 16.457 -1.959 -11.253 1.00 23.13 N ATOM 103 CA ALA A 8 17.451 -2.779 -11.935 1.00 33.22 C ATOM 104 C ALA A 8 18.817 -2.101 -11.933 1.00 73.51 C ATOM 105 O ALA A 8 18.945 -0.940 -12.321 1.00 72.03 O ATOM 106 CB ALA A 8 17.006 -3.071 -13.360 1.00 53.32 C ATOM 0 H ALA A 8 16.610 -0.954 -11.336 1.00 23.13 H new ATOM 0 HA ALA A 8 17.542 -3.721 -11.394 1.00 33.22 H new ATOM 0 HB1 ALA A 8 17.758 -3.684 -13.857 1.00 53.32 H new ATOM 0 HB2 ALA A 8 16.056 -3.605 -13.342 1.00 53.32 H new ATOM 0 HB3 ALA A 8 16.885 -2.134 -13.903 1.00 53.32 H new ATOM 112 N TYR A 9 19.834 -2.833 -11.494 1.00 24.43 N ATOM 113 CA TYR A 9 21.191 -2.301 -11.439 1.00 32.54 C ATOM 114 C TYR A 9 22.214 -3.384 -11.769 1.00 42.54 C ATOM 115 O TYR A 9 22.010 -4.559 -11.470 1.00 32.03 O ATOM 116 CB TYR A 9 21.477 -1.720 -10.053 1.00 40.43 C ATOM 117 CG TYR A 9 22.836 -1.065 -9.940 1.00 75.41 C ATOM 118 CD1 TYR A 9 23.139 0.081 -10.665 1.00 33.31 C ATOM 119 CD2 TYR A 9 23.816 -1.594 -9.110 1.00 0.44 C ATOM 120 CE1 TYR A 9 24.379 0.682 -10.565 1.00 72.44 C ATOM 121 CE2 TYR A 9 25.058 -0.999 -9.003 1.00 1.33 C ATOM 122 CZ TYR A 9 25.335 0.138 -9.733 1.00 12.54 C ATOM 123 OH TYR A 9 26.571 0.733 -9.630 1.00 44.30 O ATOM 0 H TYR A 9 19.745 -3.796 -11.171 1.00 24.43 H new ATOM 0 HA TYR A 9 21.274 -1.509 -12.183 1.00 32.54 H new ATOM 0 HB2 TYR A 9 20.708 -0.987 -9.810 1.00 40.43 H new ATOM 0 HB3 TYR A 9 21.404 -2.516 -9.312 1.00 40.43 H new ATOM 0 HD1 TYR A 9 22.393 0.509 -11.318 1.00 33.31 H new ATOM 0 HD2 TYR A 9 23.603 -2.486 -8.539 1.00 0.44 H new ATOM 0 HE1 TYR A 9 24.598 1.573 -11.135 1.00 72.44 H new ATOM 0 HE2 TYR A 9 25.808 -1.422 -8.351 1.00 1.33 H new ATOM 0 HH TYR A 9 27.127 0.226 -9.002 1.00 44.30 H new ATOM 133 N ASN A 10 23.317 -2.976 -12.389 1.00 60.12 N ATOM 134 CA ASN A 10 24.374 -3.910 -12.761 1.00 52.45 C ATOM 135 C ASN A 10 25.450 -3.972 -11.682 1.00 12.03 C ATOM 136 O ASN A 10 26.591 -3.569 -11.904 1.00 31.44 O ATOM 137 CB ASN A 10 24.998 -3.499 -14.097 1.00 25.34 C ATOM 138 CG ASN A 10 23.971 -2.966 -15.076 1.00 72.11 C ATOM 139 OD1 ASN A 10 23.408 -3.717 -15.872 1.00 73.44 O ATOM 140 ND2 ASN A 10 23.722 -1.663 -15.021 1.00 41.24 N ATOM 0 H ASN A 10 23.502 -2.006 -12.644 1.00 60.12 H new ATOM 0 HA ASN A 10 23.931 -4.900 -12.863 1.00 52.45 H new ATOM 0 HB2 ASN A 10 25.757 -2.737 -13.921 1.00 25.34 H new ATOM 0 HB3 ASN A 10 25.504 -4.358 -14.538 1.00 25.34 H new ATOM 0 HD21 ASN A 10 23.040 -1.247 -15.655 1.00 41.24 H new ATOM 0 HD22 ASN A 10 24.213 -1.078 -14.345 1.00 41.24 H new ATOM 147 N GLY A 11 25.077 -4.481 -10.511 1.00 2.40 N ATOM 148 CA GLY A 11 26.021 -4.587 -9.414 1.00 64.11 C ATOM 149 C GLY A 11 25.555 -5.548 -8.339 1.00 31.13 C ATOM 150 O GLY A 11 25.055 -6.632 -8.640 1.00 14.11 O ATOM 0 H GLY A 11 24.138 -4.822 -10.303 1.00 2.40 H new ATOM 0 HA2 GLY A 11 26.985 -4.918 -9.799 1.00 64.11 H new ATOM 0 HA3 GLY A 11 26.174 -3.601 -8.974 1.00 64.11 H new ATOM 154 N ASP A 12 25.720 -5.152 -7.082 1.00 1.04 N ATOM 155 CA ASP A 12 25.313 -5.986 -5.957 1.00 73.51 C ATOM 156 C ASP A 12 23.800 -6.179 -5.944 1.00 35.51 C ATOM 157 O ASP A 12 23.295 -7.232 -6.332 1.00 30.34 O ATOM 158 CB ASP A 12 25.771 -5.362 -4.638 1.00 43.15 C ATOM 159 CG ASP A 12 27.218 -5.682 -4.319 1.00 3.33 C ATOM 160 OD1 ASP A 12 27.529 -6.871 -4.097 1.00 74.24 O ATOM 161 OD2 ASP A 12 28.041 -4.743 -4.291 1.00 13.45 O ATOM 0 H ASP A 12 26.133 -4.258 -6.816 1.00 1.04 H new ATOM 0 HA ASP A 12 25.786 -6.962 -6.071 1.00 73.51 H new ATOM 0 HB2 ASP A 12 25.643 -4.281 -4.687 1.00 43.15 H new ATOM 0 HB3 ASP A 12 25.135 -5.722 -3.829 1.00 43.15 H new ATOM 166 N ASN A 13 23.081 -5.156 -5.494 1.00 4.41 N ATOM 167 CA ASN A 13 21.626 -5.213 -5.428 1.00 74.34 C ATOM 168 C ASN A 13 21.031 -3.814 -5.302 1.00 51.01 C ATOM 169 O ASN A 13 21.372 -3.062 -4.388 1.00 64.44 O ATOM 170 CB ASN A 13 21.181 -6.077 -4.246 1.00 64.02 C ATOM 171 CG ASN A 13 21.246 -7.560 -4.557 1.00 52.11 C ATOM 172 OD1 ASN A 13 20.415 -8.087 -5.298 1.00 3.15 O ATOM 173 ND2 ASN A 13 22.236 -8.241 -3.991 1.00 15.52 N ATOM 0 H ASN A 13 23.483 -4.277 -5.169 1.00 4.41 H new ATOM 0 HA ASN A 13 21.263 -5.660 -6.353 1.00 74.34 H new ATOM 0 HB2 ASN A 13 21.812 -5.861 -3.384 1.00 64.02 H new ATOM 0 HB3 ASN A 13 20.161 -5.811 -3.969 1.00 64.02 H new ATOM 0 HD21 ASN A 13 22.330 -9.242 -4.164 1.00 15.52 H new ATOM 0 HD22 ASN A 13 22.902 -7.763 -3.384 1.00 15.52 H new ATOM 180 N CYS A 14 20.139 -3.471 -6.225 1.00 52.31 N ATOM 181 CA CYS A 14 19.495 -2.163 -6.218 1.00 44.54 C ATOM 182 C CYS A 14 18.410 -2.096 -5.148 1.00 54.12 C ATOM 183 O CYS A 14 17.886 -3.122 -4.714 1.00 63.45 O ATOM 184 CB CYS A 14 18.892 -1.860 -7.592 1.00 25.43 C ATOM 185 SG CYS A 14 17.371 -2.793 -7.957 1.00 62.44 S ATOM 0 H CYS A 14 19.845 -4.081 -6.988 1.00 52.31 H new ATOM 0 HA CYS A 14 20.253 -1.414 -5.988 1.00 44.54 H new ATOM 0 HB2 CYS A 14 18.676 -0.794 -7.655 1.00 25.43 H new ATOM 0 HB3 CYS A 14 19.634 -2.080 -8.359 1.00 25.43 H new ATOM 190 N PHE A 15 18.076 -0.881 -4.727 1.00 12.51 N ATOM 191 CA PHE A 15 17.053 -0.679 -3.707 1.00 60.02 C ATOM 192 C PHE A 15 16.038 0.368 -4.155 1.00 14.32 C ATOM 193 O PHE A 15 16.385 1.525 -4.388 1.00 0.22 O ATOM 194 CB PHE A 15 17.697 -0.250 -2.387 1.00 34.11 C ATOM 195 CG PHE A 15 18.412 -1.365 -1.679 1.00 11.12 C ATOM 196 CD1 PHE A 15 17.714 -2.258 -0.883 1.00 34.53 C ATOM 197 CD2 PHE A 15 19.783 -1.519 -1.809 1.00 13.03 C ATOM 198 CE1 PHE A 15 18.369 -3.286 -0.230 1.00 13.31 C ATOM 199 CE2 PHE A 15 20.443 -2.544 -1.159 1.00 21.42 C ATOM 200 CZ PHE A 15 19.736 -3.428 -0.367 1.00 75.14 C ATOM 0 H PHE A 15 18.499 -0.021 -5.076 1.00 12.51 H new ATOM 0 HA PHE A 15 16.531 -1.625 -3.558 1.00 60.02 H new ATOM 0 HB2 PHE A 15 18.403 0.558 -2.582 1.00 34.11 H new ATOM 0 HB3 PHE A 15 16.926 0.152 -1.730 1.00 34.11 H new ATOM 0 HD1 PHE A 15 16.645 -2.150 -0.771 1.00 34.53 H new ATOM 0 HD2 PHE A 15 20.342 -0.830 -2.425 1.00 13.03 H new ATOM 0 HE1 PHE A 15 17.813 -3.977 0.386 1.00 13.31 H new ATOM 0 HE2 PHE A 15 21.512 -2.654 -1.270 1.00 21.42 H new ATOM 0 HZ PHE A 15 20.251 -4.228 0.144 1.00 75.14 H new ATOM 210 N ASN A 16 14.781 -0.047 -4.273 1.00 73.52 N ATOM 211 CA ASN A 16 13.714 0.854 -4.694 1.00 60.41 C ATOM 212 C ASN A 16 12.345 0.277 -4.345 1.00 4.24 C ATOM 213 O ASN A 16 11.681 -0.352 -5.168 1.00 34.11 O ATOM 214 CB ASN A 16 13.801 1.113 -6.199 1.00 63.15 C ATOM 215 CG ASN A 16 13.179 2.438 -6.595 1.00 5.31 C ATOM 216 OD1 ASN A 16 13.394 3.458 -5.939 1.00 33.45 O ATOM 217 ND2 ASN A 16 12.404 2.430 -7.673 1.00 21.41 N ATOM 0 H ASN A 16 14.476 -1.002 -4.083 1.00 73.52 H new ATOM 0 HA ASN A 16 13.838 1.797 -4.162 1.00 60.41 H new ATOM 0 HB2 ASN A 16 14.846 1.099 -6.507 1.00 63.15 H new ATOM 0 HB3 ASN A 16 13.300 0.306 -6.733 1.00 63.15 H new ATOM 0 HD21 ASN A 16 11.959 3.292 -7.988 1.00 21.41 H new ATOM 0 HD22 ASN A 16 12.253 1.562 -8.186 1.00 21.41 H new ATOM 224 N PRO A 17 11.913 0.497 -3.094 1.00 72.50 N ATOM 225 CA PRO A 17 10.619 0.008 -2.607 1.00 3.42 C ATOM 226 C PRO A 17 9.445 0.741 -3.246 1.00 51.23 C ATOM 227 O PRO A 17 9.247 1.934 -3.017 1.00 73.02 O ATOM 228 CB PRO A 17 10.675 0.296 -1.104 1.00 72.33 C ATOM 229 CG PRO A 17 11.634 1.428 -0.970 1.00 73.04 C ATOM 230 CD PRO A 17 12.653 1.238 -2.060 1.00 11.54 C ATOM 0 HA PRO A 17 10.463 -1.043 -2.848 1.00 3.42 H new ATOM 0 HB2 PRO A 17 9.692 0.562 -0.715 1.00 72.33 H new ATOM 0 HB3 PRO A 17 11.013 -0.577 -0.546 1.00 72.33 H new ATOM 0 HG2 PRO A 17 11.124 2.386 -1.075 1.00 73.04 H new ATOM 0 HG3 PRO A 17 12.107 1.424 0.012 1.00 73.04 H new ATOM 0 HD2 PRO A 17 13.022 2.192 -2.436 1.00 11.54 H new ATOM 0 HD3 PRO A 17 13.519 0.678 -1.707 1.00 11.54 H new ATOM 238 N MET A 18 8.669 0.020 -4.048 1.00 70.54 N ATOM 239 CA MET A 18 7.513 0.602 -4.719 1.00 53.15 C ATOM 240 C MET A 18 6.289 -0.297 -4.573 1.00 62.03 C ATOM 241 O MET A 18 6.390 -1.520 -4.675 1.00 3.23 O ATOM 242 CB MET A 18 7.818 0.831 -6.201 1.00 72.11 C ATOM 243 CG MET A 18 6.584 1.132 -7.036 1.00 71.32 C ATOM 244 SD MET A 18 5.771 2.665 -6.547 1.00 41.24 S ATOM 245 CE MET A 18 5.232 3.285 -8.139 1.00 34.30 C ATOM 0 H MET A 18 8.820 -0.969 -4.249 1.00 70.54 H new ATOM 0 HA MET A 18 7.296 1.561 -4.248 1.00 53.15 H new ATOM 0 HB2 MET A 18 8.521 1.659 -6.295 1.00 72.11 H new ATOM 0 HB3 MET A 18 8.312 -0.054 -6.603 1.00 72.11 H new ATOM 0 HG2 MET A 18 6.868 1.195 -8.087 1.00 71.32 H new ATOM 0 HG3 MET A 18 5.878 0.306 -6.945 1.00 71.32 H new ATOM 0 HE1 MET A 18 4.710 4.232 -8.003 1.00 34.30 H new ATOM 0 HE2 MET A 18 6.099 3.437 -8.782 1.00 34.30 H new ATOM 0 HE3 MET A 18 4.559 2.563 -8.602 1.00 34.30 H new ATOM 255 N ARG A 19 5.135 0.316 -4.334 1.00 53.42 N ATOM 256 CA ARG A 19 3.892 -0.429 -4.173 1.00 24.34 C ATOM 257 C ARG A 19 3.394 -0.953 -5.516 1.00 61.23 C ATOM 258 O ARG A 19 3.390 -0.231 -6.514 1.00 2.03 O ATOM 259 CB ARG A 19 2.822 0.454 -3.529 1.00 3.30 C ATOM 260 CG ARG A 19 1.476 -0.234 -3.375 1.00 52.24 C ATOM 261 CD ARG A 19 1.362 -0.941 -2.034 1.00 74.32 C ATOM 262 NE ARG A 19 0.773 -0.082 -1.010 1.00 71.14 N ATOM 263 CZ ARG A 19 0.646 -0.437 0.263 1.00 25.23 C ATOM 264 NH1 ARG A 19 1.066 -1.628 0.668 1.00 73.33 N ATOM 265 NH2 ARG A 19 0.100 0.400 1.136 1.00 42.23 N ATOM 0 H ARG A 19 5.034 1.327 -4.247 1.00 53.42 H new ATOM 0 HA ARG A 19 4.090 -1.280 -3.522 1.00 24.34 H new ATOM 0 HB2 ARG A 19 3.171 0.775 -2.547 1.00 3.30 H new ATOM 0 HB3 ARG A 19 2.694 1.353 -4.132 1.00 3.30 H new ATOM 0 HG2 ARG A 19 0.677 0.502 -3.469 1.00 52.24 H new ATOM 0 HG3 ARG A 19 1.341 -0.956 -4.181 1.00 52.24 H new ATOM 0 HD2 ARG A 19 0.754 -1.838 -2.148 1.00 74.32 H new ATOM 0 HD3 ARG A 19 2.351 -1.265 -1.710 1.00 74.32 H new ATOM 0 HE ARG A 19 0.441 0.841 -1.288 1.00 71.14 H new ATOM 0 HH11 ARG A 19 1.488 -2.274 0.001 1.00 73.33 H new ATOM 0 HH12 ARG A 19 0.967 -1.898 1.647 1.00 73.33 H new ATOM 0 HH21 ARG A 19 -0.223 1.318 0.829 1.00 42.23 H new ATOM 0 HH22 ARG A 19 0.003 0.126 2.114 1.00 42.23 H new ATOM 279 N CYS A 20 2.975 -2.214 -5.535 1.00 52.02 N ATOM 280 CA CYS A 20 2.475 -2.836 -6.755 1.00 62.04 C ATOM 281 C CYS A 20 1.053 -2.373 -7.059 1.00 62.02 C ATOM 282 O CYS A 20 0.320 -1.919 -6.180 1.00 63.21 O ATOM 283 CB CYS A 20 2.511 -4.360 -6.627 1.00 74.22 C ATOM 284 SG CYS A 20 4.010 -5.004 -5.816 1.00 53.53 S ATOM 0 H CYS A 20 2.972 -2.825 -4.719 1.00 52.02 H new ATOM 0 HA CYS A 20 3.121 -2.532 -7.579 1.00 62.04 H new ATOM 0 HB2 CYS A 20 1.637 -4.687 -6.064 1.00 74.22 H new ATOM 0 HB3 CYS A 20 2.432 -4.799 -7.621 1.00 74.22 H new ATOM 289 N PRO A 21 0.653 -2.490 -8.334 1.00 14.11 N ATOM 290 CA PRO A 21 -0.684 -2.090 -8.783 1.00 51.25 C ATOM 291 C PRO A 21 -1.775 -3.014 -8.253 1.00 42.02 C ATOM 292 O PRO A 21 -1.490 -3.998 -7.571 1.00 13.20 O ATOM 293 CB PRO A 21 -0.591 -2.192 -10.308 1.00 20.11 C ATOM 294 CG PRO A 21 0.486 -3.192 -10.555 1.00 53.44 C ATOM 295 CD PRO A 21 1.473 -3.022 -9.434 1.00 65.34 C ATOM 0 HA PRO A 21 -0.954 -1.097 -8.424 1.00 51.25 H new ATOM 0 HB2 PRO A 21 -1.538 -2.514 -10.742 1.00 20.11 H new ATOM 0 HB3 PRO A 21 -0.347 -1.228 -10.755 1.00 20.11 H new ATOM 0 HG2 PRO A 21 0.083 -4.205 -10.570 1.00 53.44 H new ATOM 0 HG3 PRO A 21 0.961 -3.024 -11.522 1.00 53.44 H new ATOM 0 HD2 PRO A 21 1.941 -3.969 -9.164 1.00 65.34 H new ATOM 0 HD3 PRO A 21 2.275 -2.335 -9.706 1.00 65.34 H new ATOM 303 N ALA A 22 -3.024 -2.691 -8.572 1.00 31.13 N ATOM 304 CA ALA A 22 -4.157 -3.494 -8.129 1.00 71.22 C ATOM 305 C ALA A 22 -4.303 -4.752 -8.978 1.00 73.34 C ATOM 306 O ALA A 22 -5.381 -5.039 -9.499 1.00 42.02 O ATOM 307 CB ALA A 22 -5.437 -2.672 -8.175 1.00 63.25 C ATOM 0 H ALA A 22 -3.277 -1.879 -9.135 1.00 31.13 H new ATOM 0 HA ALA A 22 -3.973 -3.801 -7.100 1.00 71.22 H new ATOM 0 HB1 ALA A 22 -6.275 -3.284 -7.842 1.00 63.25 H new ATOM 0 HB2 ALA A 22 -5.337 -1.806 -7.520 1.00 63.25 H new ATOM 0 HB3 ALA A 22 -5.617 -2.336 -9.196 1.00 63.25 H new ATOM 313 N MET A 23 -3.212 -5.499 -9.114 1.00 54.02 N ATOM 314 CA MET A 23 -3.220 -6.727 -9.900 1.00 74.25 C ATOM 315 C MET A 23 -2.092 -7.657 -9.467 1.00 63.43 C ATOM 316 O MET A 23 -2.268 -8.874 -9.401 1.00 24.02 O ATOM 317 CB MET A 23 -3.088 -6.405 -11.390 1.00 72.12 C ATOM 318 CG MET A 23 -1.958 -5.438 -11.705 1.00 73.31 C ATOM 319 SD MET A 23 -1.821 -5.081 -13.467 1.00 43.10 S ATOM 320 CE MET A 23 -0.965 -6.545 -14.044 1.00 1.14 C ATOM 0 H MET A 23 -2.312 -5.275 -8.690 1.00 54.02 H new ATOM 0 HA MET A 23 -4.170 -7.233 -9.728 1.00 74.25 H new ATOM 0 HB2 MET A 23 -2.926 -7.332 -11.941 1.00 72.12 H new ATOM 0 HB3 MET A 23 -4.027 -5.982 -11.747 1.00 72.12 H new ATOM 0 HG2 MET A 23 -2.119 -4.507 -11.161 1.00 73.31 H new ATOM 0 HG3 MET A 23 -1.017 -5.857 -11.349 1.00 73.31 H new ATOM 0 HE1 MET A 23 -0.120 -6.251 -14.666 1.00 1.14 H new ATOM 0 HE2 MET A 23 -0.604 -7.116 -13.189 1.00 1.14 H new ATOM 0 HE3 MET A 23 -1.649 -7.160 -14.629 1.00 1.14 H new ATOM 330 N VAL A 24 -0.932 -7.077 -9.174 1.00 32.21 N ATOM 331 CA VAL A 24 0.225 -7.854 -8.746 1.00 71.44 C ATOM 332 C VAL A 24 0.121 -8.229 -7.272 1.00 61.13 C ATOM 333 O VAL A 24 -0.364 -7.447 -6.455 1.00 43.02 O ATOM 334 CB VAL A 24 1.537 -7.081 -8.977 1.00 52.10 C ATOM 335 CG1 VAL A 24 2.672 -7.706 -8.181 1.00 64.35 C ATOM 336 CG2 VAL A 24 1.875 -7.036 -10.460 1.00 32.25 C ATOM 0 H VAL A 24 -0.769 -6.071 -9.225 1.00 32.21 H new ATOM 0 HA VAL A 24 0.236 -8.762 -9.349 1.00 71.44 H new ATOM 0 HB VAL A 24 1.402 -6.057 -8.628 1.00 52.10 H new ATOM 0 HG11 VAL A 24 3.591 -7.147 -8.357 1.00 64.35 H new ATOM 0 HG12 VAL A 24 2.429 -7.680 -7.119 1.00 64.35 H new ATOM 0 HG13 VAL A 24 2.811 -8.740 -8.496 1.00 64.35 H new ATOM 0 HG21 VAL A 24 2.805 -6.486 -10.605 1.00 32.25 H new ATOM 0 HG22 VAL A 24 1.992 -8.052 -10.838 1.00 32.25 H new ATOM 0 HG23 VAL A 24 1.071 -6.538 -11.002 1.00 32.25 H new ATOM 346 N ALA A 25 0.580 -9.431 -6.939 1.00 43.02 N ATOM 347 CA ALA A 25 0.542 -9.909 -5.563 1.00 15.03 C ATOM 348 C ALA A 25 1.755 -10.777 -5.249 1.00 4.13 C ATOM 349 O ALA A 25 1.674 -11.710 -4.449 1.00 54.32 O ATOM 350 CB ALA A 25 -0.743 -10.683 -5.309 1.00 33.41 C ATOM 0 H ALA A 25 0.983 -10.091 -7.604 1.00 43.02 H new ATOM 0 HA ALA A 25 0.568 -9.042 -4.903 1.00 15.03 H new ATOM 0 HB1 ALA A 25 -0.758 -11.034 -4.277 1.00 33.41 H new ATOM 0 HB2 ALA A 25 -1.600 -10.033 -5.484 1.00 33.41 H new ATOM 0 HB3 ALA A 25 -0.793 -11.537 -5.984 1.00 33.41 H new ATOM 356 N TYR A 26 2.880 -10.465 -5.883 1.00 11.41 N ATOM 357 CA TYR A 26 4.110 -11.218 -5.673 1.00 63.42 C ATOM 358 C TYR A 26 5.326 -10.411 -6.116 1.00 44.41 C ATOM 359 O TYR A 26 5.246 -9.600 -7.040 1.00 34.14 O ATOM 360 CB TYR A 26 4.058 -12.543 -6.437 1.00 2.21 C ATOM 361 CG TYR A 26 3.391 -13.660 -5.667 1.00 55.21 C ATOM 362 CD1 TYR A 26 4.032 -14.274 -4.598 1.00 44.54 C ATOM 363 CD2 TYR A 26 2.119 -14.102 -6.009 1.00 34.23 C ATOM 364 CE1 TYR A 26 3.427 -15.295 -3.892 1.00 53.04 C ATOM 365 CE2 TYR A 26 1.505 -15.122 -5.308 1.00 13.24 C ATOM 366 CZ TYR A 26 2.163 -15.715 -4.251 1.00 32.25 C ATOM 367 OH TYR A 26 1.555 -16.732 -3.550 1.00 62.25 O ATOM 0 H TYR A 26 2.965 -9.695 -6.547 1.00 11.41 H new ATOM 0 HA TYR A 26 4.202 -11.424 -4.607 1.00 63.42 H new ATOM 0 HB2 TYR A 26 3.525 -12.391 -7.375 1.00 2.21 H new ATOM 0 HB3 TYR A 26 5.073 -12.845 -6.693 1.00 2.21 H new ATOM 0 HD1 TYR A 26 5.021 -13.947 -4.314 1.00 44.54 H new ATOM 0 HD2 TYR A 26 1.601 -13.640 -6.837 1.00 34.23 H new ATOM 0 HE1 TYR A 26 3.940 -15.762 -3.064 1.00 53.04 H new ATOM 0 HE2 TYR A 26 0.515 -15.453 -5.586 1.00 13.24 H new ATOM 0 HH TYR A 26 0.668 -16.906 -3.929 1.00 62.25 H new ATOM 377 N CYS A 27 6.454 -10.638 -5.451 1.00 32.13 N ATOM 378 CA CYS A 27 7.688 -9.933 -5.774 1.00 25.35 C ATOM 379 C CYS A 27 8.651 -10.842 -6.532 1.00 62.22 C ATOM 380 O CYS A 27 8.924 -11.965 -6.109 1.00 62.12 O ATOM 381 CB CYS A 27 8.355 -9.418 -4.496 1.00 63.44 C ATOM 382 SG CYS A 27 7.189 -8.750 -3.266 1.00 65.24 S ATOM 0 H CYS A 27 6.538 -11.306 -4.684 1.00 32.13 H new ATOM 0 HA CYS A 27 7.437 -9.086 -6.412 1.00 25.35 H new ATOM 0 HB2 CYS A 27 8.920 -10.231 -4.041 1.00 63.44 H new ATOM 0 HB3 CYS A 27 9.072 -8.641 -4.761 1.00 63.44 H new ATOM 387 N MET A 28 9.162 -10.348 -7.655 1.00 43.20 N ATOM 388 CA MET A 28 10.096 -11.115 -8.472 1.00 13.41 C ATOM 389 C MET A 28 11.504 -10.535 -8.378 1.00 34.13 C ATOM 390 O MET A 28 11.690 -9.319 -8.424 1.00 43.31 O ATOM 391 CB MET A 28 9.635 -11.132 -9.931 1.00 1.52 C ATOM 392 CG MET A 28 10.598 -11.848 -10.864 1.00 32.23 C ATOM 393 SD MET A 28 10.568 -11.181 -12.539 1.00 31.34 S ATOM 394 CE MET A 28 12.201 -10.454 -12.643 1.00 2.34 C ATOM 0 H MET A 28 8.945 -9.421 -8.020 1.00 43.20 H new ATOM 0 HA MET A 28 10.117 -12.137 -8.093 1.00 13.41 H new ATOM 0 HB2 MET A 28 8.659 -11.614 -9.990 1.00 1.52 H new ATOM 0 HB3 MET A 28 9.505 -10.106 -10.274 1.00 1.52 H new ATOM 0 HG2 MET A 28 11.609 -11.771 -10.465 1.00 32.23 H new ATOM 0 HG3 MET A 28 10.347 -12.908 -10.895 1.00 32.23 H new ATOM 0 HE1 MET A 28 12.116 -9.408 -12.937 1.00 2.34 H new ATOM 0 HE2 MET A 28 12.691 -10.519 -11.671 1.00 2.34 H new ATOM 0 HE3 MET A 28 12.792 -10.992 -13.384 1.00 2.34 H new ATOM 404 N THR A 29 12.493 -11.413 -8.245 1.00 32.43 N ATOM 405 CA THR A 29 13.883 -10.989 -8.142 1.00 42.25 C ATOM 406 C THR A 29 14.798 -11.902 -8.951 1.00 52.20 C ATOM 407 O THR A 29 14.827 -13.115 -8.739 1.00 41.34 O ATOM 408 CB THR A 29 14.359 -10.971 -6.678 1.00 30.35 C ATOM 409 OG1 THR A 29 13.588 -10.029 -5.923 1.00 44.04 O ATOM 410 CG2 THR A 29 15.835 -10.611 -6.592 1.00 75.40 C ATOM 0 H THR A 29 12.356 -12.423 -8.206 1.00 32.43 H new ATOM 0 HA THR A 29 13.935 -9.977 -8.545 1.00 42.25 H new ATOM 0 HB THR A 29 14.220 -11.969 -6.263 1.00 30.35 H new ATOM 0 HG1 THR A 29 12.896 -10.504 -5.417 1.00 44.04 H new ATOM 0 HG21 THR A 29 16.148 -10.605 -5.548 1.00 75.40 H new ATOM 0 HG22 THR A 29 16.422 -11.347 -7.142 1.00 75.40 H new ATOM 0 HG23 THR A 29 15.994 -9.623 -7.024 1.00 75.40 H new ATOM 418 N THR A 30 15.545 -11.312 -9.879 1.00 2.01 N ATOM 419 CA THR A 30 16.461 -12.072 -10.720 1.00 31.52 C ATOM 420 C THR A 30 17.894 -11.579 -10.559 1.00 1.43 C ATOM 421 O THR A 30 18.277 -10.559 -11.133 1.00 25.23 O ATOM 422 CB THR A 30 16.064 -11.985 -12.205 1.00 54.34 C ATOM 423 OG1 THR A 30 14.692 -12.362 -12.369 1.00 11.22 O ATOM 424 CG2 THR A 30 16.947 -12.885 -13.056 1.00 1.11 C ATOM 0 H THR A 30 15.533 -10.310 -10.067 1.00 2.01 H new ATOM 0 HA THR A 30 16.399 -13.111 -10.395 1.00 31.52 H new ATOM 0 HB THR A 30 16.199 -10.955 -12.534 1.00 54.34 H new ATOM 0 HG1 THR A 30 14.491 -12.457 -13.323 1.00 11.22 H new ATOM 0 HG21 THR A 30 16.647 -12.806 -14.101 1.00 1.11 H new ATOM 0 HG22 THR A 30 17.987 -12.577 -12.953 1.00 1.11 H new ATOM 0 HG23 THR A 30 16.840 -13.918 -12.725 1.00 1.11 H new ATOM 432 N ARG A 31 18.682 -12.308 -9.775 1.00 52.12 N ATOM 433 CA ARG A 31 20.073 -11.943 -9.539 1.00 3.14 C ATOM 434 C ARG A 31 21.007 -12.748 -10.438 1.00 30.24 C ATOM 435 O ARG A 31 21.322 -13.903 -10.149 1.00 20.20 O ATOM 436 CB ARG A 31 20.440 -12.170 -8.071 1.00 31.02 C ATOM 437 CG ARG A 31 19.817 -13.421 -7.474 1.00 71.41 C ATOM 438 CD ARG A 31 20.191 -13.586 -6.009 1.00 41.23 C ATOM 439 NE ARG A 31 19.484 -12.636 -5.154 1.00 23.31 N ATOM 440 CZ ARG A 31 19.311 -12.811 -3.848 1.00 44.35 C ATOM 441 NH1 ARG A 31 19.792 -13.893 -3.251 1.00 50.45 N ATOM 442 NH2 ARG A 31 18.657 -11.901 -3.137 1.00 70.53 N ATOM 0 H ARG A 31 18.380 -13.155 -9.293 1.00 52.12 H new ATOM 0 HA ARG A 31 20.190 -10.886 -9.777 1.00 3.14 H new ATOM 0 HB2 ARG A 31 21.524 -12.237 -7.982 1.00 31.02 H new ATOM 0 HB3 ARG A 31 20.125 -11.304 -7.488 1.00 31.02 H new ATOM 0 HG2 ARG A 31 18.732 -13.370 -7.570 1.00 71.41 H new ATOM 0 HG3 ARG A 31 20.146 -14.296 -8.035 1.00 71.41 H new ATOM 0 HD2 ARG A 31 19.962 -14.602 -5.689 1.00 41.23 H new ATOM 0 HD3 ARG A 31 21.266 -13.449 -5.892 1.00 41.23 H new ATOM 0 HE ARG A 31 19.102 -11.793 -5.582 1.00 23.31 H new ATOM 0 HH11 ARG A 31 20.296 -14.594 -3.794 1.00 50.45 H new ATOM 0 HH12 ARG A 31 19.658 -14.025 -2.248 1.00 50.45 H new ATOM 0 HH21 ARG A 31 18.287 -11.067 -3.593 1.00 70.53 H new ATOM 0 HH22 ARG A 31 18.524 -12.036 -2.135 1.00 70.53 H new ATOM 456 N THR A 32 21.447 -12.131 -11.530 1.00 14.10 N ATOM 457 CA THR A 32 22.342 -12.790 -12.472 1.00 42.21 C ATOM 458 C THR A 32 23.801 -12.512 -12.130 1.00 4.22 C ATOM 459 O THR A 32 24.125 -11.482 -11.537 1.00 71.21 O ATOM 460 CB THR A 32 22.070 -12.334 -13.918 1.00 62.42 C ATOM 461 OG1 THR A 32 20.672 -12.085 -14.098 1.00 52.43 O ATOM 462 CG2 THR A 32 22.535 -13.387 -14.913 1.00 51.25 C ATOM 0 H THR A 32 21.198 -11.175 -11.784 1.00 14.10 H new ATOM 0 HA THR A 32 22.151 -13.860 -12.394 1.00 42.21 H new ATOM 0 HB THR A 32 22.628 -11.415 -14.097 1.00 62.42 H new ATOM 0 HG1 THR A 32 20.508 -11.794 -15.019 1.00 52.43 H new ATOM 0 HG21 THR A 32 22.333 -13.043 -15.927 1.00 51.25 H new ATOM 0 HG22 THR A 32 23.605 -13.554 -14.793 1.00 51.25 H new ATOM 0 HG23 THR A 32 22.000 -14.319 -14.732 1.00 51.25 H new ATOM 470 N TYR A 33 24.679 -13.435 -12.507 1.00 52.01 N ATOM 471 CA TYR A 33 26.104 -13.290 -12.238 1.00 45.42 C ATOM 472 C TYR A 33 26.929 -13.619 -13.479 1.00 2.12 C ATOM 473 O TYR A 33 27.047 -14.780 -13.870 1.00 32.52 O ATOM 474 CB TYR A 33 26.521 -14.197 -11.079 1.00 44.14 C ATOM 475 CG TYR A 33 25.441 -14.384 -10.038 1.00 63.11 C ATOM 476 CD1 TYR A 33 25.272 -13.464 -9.011 1.00 11.01 C ATOM 477 CD2 TYR A 33 24.589 -15.481 -10.082 1.00 43.11 C ATOM 478 CE1 TYR A 33 24.287 -13.632 -8.057 1.00 51.41 C ATOM 479 CE2 TYR A 33 23.601 -15.656 -9.133 1.00 55.13 C ATOM 480 CZ TYR A 33 23.454 -14.729 -8.123 1.00 14.14 C ATOM 481 OH TYR A 33 22.470 -14.899 -7.175 1.00 43.31 O ATOM 0 H TYR A 33 24.428 -14.292 -13.000 1.00 52.01 H new ATOM 0 HA TYR A 33 26.292 -12.252 -11.964 1.00 45.42 H new ATOM 0 HB2 TYR A 33 26.805 -15.172 -11.475 1.00 44.14 H new ATOM 0 HB3 TYR A 33 27.406 -13.778 -10.601 1.00 44.14 H new ATOM 0 HD1 TYR A 33 25.922 -12.603 -8.957 1.00 11.01 H new ATOM 0 HD2 TYR A 33 24.701 -16.209 -10.872 1.00 43.11 H new ATOM 0 HE1 TYR A 33 24.170 -12.908 -7.264 1.00 51.41 H new ATOM 0 HE2 TYR A 33 22.947 -16.514 -9.182 1.00 55.13 H new ATOM 0 HH TYR A 33 21.724 -15.401 -7.564 1.00 43.31 H new ATOM 491 N TYR A 34 27.499 -12.588 -14.093 1.00 32.01 N ATOM 492 CA TYR A 34 28.312 -12.766 -15.290 1.00 55.44 C ATOM 493 C TYR A 34 29.752 -13.113 -14.925 1.00 15.31 C ATOM 494 O TYR A 34 30.231 -14.210 -15.211 1.00 70.34 O ATOM 495 CB TYR A 34 28.282 -11.497 -16.145 1.00 20.40 C ATOM 496 CG TYR A 34 27.043 -11.374 -17.003 1.00 11.14 C ATOM 497 CD1 TYR A 34 25.840 -10.939 -16.461 1.00 53.43 C ATOM 498 CD2 TYR A 34 27.076 -11.692 -18.355 1.00 11.50 C ATOM 499 CE1 TYR A 34 24.705 -10.825 -17.241 1.00 62.11 C ATOM 500 CE2 TYR A 34 25.947 -11.580 -19.143 1.00 14.42 C ATOM 501 CZ TYR A 34 24.764 -11.146 -18.581 1.00 74.51 C ATOM 502 OH TYR A 34 23.636 -11.033 -19.362 1.00 30.34 O ATOM 0 H TYR A 34 27.413 -11.621 -13.781 1.00 32.01 H new ATOM 0 HA TYR A 34 27.893 -13.593 -15.863 1.00 55.44 H new ATOM 0 HB2 TYR A 34 28.349 -10.627 -15.492 1.00 20.40 H new ATOM 0 HB3 TYR A 34 29.162 -11.481 -16.788 1.00 20.40 H new ATOM 0 HD1 TYR A 34 25.791 -10.686 -15.412 1.00 53.43 H new ATOM 0 HD2 TYR A 34 28.000 -12.033 -18.798 1.00 11.50 H new ATOM 0 HE1 TYR A 34 23.777 -10.487 -16.804 1.00 62.11 H new ATOM 0 HE2 TYR A 34 25.990 -11.831 -20.193 1.00 14.42 H new ATOM 0 HH TYR A 34 23.847 -11.296 -20.282 1.00 30.34 H new ATOM 512 N THR A 35 30.438 -12.168 -14.289 1.00 32.34 N ATOM 513 CA THR A 35 31.823 -12.372 -13.883 1.00 52.14 C ATOM 514 C THR A 35 31.989 -12.183 -12.380 1.00 3.20 C ATOM 515 O THR A 35 31.147 -11.587 -11.708 1.00 3.21 O ATOM 516 CB THR A 35 32.771 -11.406 -14.619 1.00 21.11 C ATOM 517 OG1 THR A 35 32.934 -10.204 -13.857 1.00 73.43 O ATOM 518 CG2 THR A 35 32.233 -11.068 -16.001 1.00 44.31 C ATOM 0 H THR A 35 30.057 -11.254 -14.044 1.00 32.34 H new ATOM 0 HA THR A 35 32.083 -13.397 -14.148 1.00 52.14 H new ATOM 0 HB THR A 35 33.738 -11.897 -14.733 1.00 21.11 H new ATOM 0 HG1 THR A 35 33.889 -10.022 -13.733 1.00 73.43 H new ATOM 0 HG21 THR A 35 32.919 -10.385 -16.501 1.00 44.31 H new ATOM 0 HG22 THR A 35 32.138 -11.982 -16.588 1.00 44.31 H new ATOM 0 HG23 THR A 35 31.256 -10.595 -15.905 1.00 44.31 H new ATOM 526 N PRO A 36 33.101 -12.701 -11.837 1.00 41.31 N ATOM 527 CA PRO A 36 33.404 -12.600 -10.406 1.00 65.15 C ATOM 528 C PRO A 36 33.745 -11.175 -9.985 1.00 11.20 C ATOM 529 O PRO A 36 33.966 -10.901 -8.805 1.00 2.22 O ATOM 530 CB PRO A 36 34.621 -13.513 -10.237 1.00 24.01 C ATOM 531 CG PRO A 36 35.266 -13.538 -11.580 1.00 3.04 C ATOM 532 CD PRO A 36 34.148 -13.424 -12.578 1.00 70.03 C ATOM 0 HA PRO A 36 32.552 -12.883 -9.788 1.00 65.15 H new ATOM 0 HB2 PRO A 36 35.302 -13.128 -9.478 1.00 24.01 H new ATOM 0 HB3 PRO A 36 34.325 -14.513 -9.922 1.00 24.01 H new ATOM 0 HG2 PRO A 36 35.972 -12.715 -11.689 1.00 3.04 H new ATOM 0 HG3 PRO A 36 35.827 -14.461 -11.726 1.00 3.04 H new ATOM 0 HD2 PRO A 36 34.459 -12.879 -13.469 1.00 70.03 H new ATOM 0 HD3 PRO A 36 33.803 -14.404 -12.908 1.00 70.03 H new ATOM 540 N THR A 37 33.785 -10.269 -10.957 1.00 1.41 N ATOM 541 CA THR A 37 34.099 -8.871 -10.687 1.00 23.34 C ATOM 542 C THR A 37 32.953 -7.959 -11.107 1.00 40.34 C ATOM 543 O THR A 37 32.974 -6.757 -10.842 1.00 4.24 O ATOM 544 CB THR A 37 35.383 -8.433 -11.416 1.00 24.04 C ATOM 545 OG1 THR A 37 35.501 -9.128 -12.662 1.00 55.22 O ATOM 546 CG2 THR A 37 36.611 -8.706 -10.560 1.00 43.30 C ATOM 0 H THR A 37 33.604 -10.478 -11.939 1.00 1.41 H new ATOM 0 HA THR A 37 34.253 -8.784 -9.611 1.00 23.34 H new ATOM 0 HB THR A 37 35.320 -7.361 -11.603 1.00 24.04 H new ATOM 0 HG1 THR A 37 36.319 -8.842 -13.120 1.00 55.22 H new ATOM 0 HG21 THR A 37 37.506 -8.389 -11.096 1.00 43.30 H new ATOM 0 HG22 THR A 37 36.533 -8.152 -9.624 1.00 43.30 H new ATOM 0 HG23 THR A 37 36.676 -9.773 -10.346 1.00 43.30 H new ATOM 554 N ARG A 38 31.953 -8.537 -11.765 1.00 20.05 N ATOM 555 CA ARG A 38 30.798 -7.775 -12.222 1.00 53.24 C ATOM 556 C ARG A 38 29.532 -8.627 -12.179 1.00 44.42 C ATOM 557 O ARG A 38 29.537 -9.783 -12.599 1.00 74.24 O ATOM 558 CB ARG A 38 31.030 -7.260 -13.644 1.00 64.01 C ATOM 559 CG ARG A 38 31.644 -5.870 -13.696 1.00 21.41 C ATOM 560 CD ARG A 38 32.142 -5.533 -15.093 1.00 22.14 C ATOM 561 NE ARG A 38 33.251 -4.583 -15.064 1.00 30.14 N ATOM 562 CZ ARG A 38 33.726 -3.974 -16.145 1.00 34.43 C ATOM 563 NH1 ARG A 38 33.191 -4.215 -17.334 1.00 15.03 N ATOM 564 NH2 ARG A 38 34.737 -3.122 -16.038 1.00 22.54 N ATOM 0 H ARG A 38 31.920 -9.531 -11.993 1.00 20.05 H new ATOM 0 HA ARG A 38 30.667 -6.926 -11.552 1.00 53.24 H new ATOM 0 HB2 ARG A 38 31.682 -7.956 -14.172 1.00 64.01 H new ATOM 0 HB3 ARG A 38 30.079 -7.248 -14.177 1.00 64.01 H new ATOM 0 HG2 ARG A 38 30.904 -5.132 -13.384 1.00 21.41 H new ATOM 0 HG3 ARG A 38 32.472 -5.810 -12.989 1.00 21.41 H new ATOM 0 HD2 ARG A 38 32.460 -6.447 -15.595 1.00 22.14 H new ATOM 0 HD3 ARG A 38 31.323 -5.116 -15.679 1.00 22.14 H new ATOM 0 HE ARG A 38 33.685 -4.376 -14.164 1.00 30.14 H new ATOM 0 HH11 ARG A 38 32.413 -4.869 -17.420 1.00 15.03 H new ATOM 0 HH12 ARG A 38 33.557 -3.746 -18.163 1.00 15.03 H new ATOM 0 HH21 ARG A 38 35.151 -2.934 -15.125 1.00 22.54 H new ATOM 0 HH22 ARG A 38 35.101 -2.655 -16.869 1.00 22.54 H new ATOM 578 N MET A 39 28.452 -8.046 -11.668 1.00 32.23 N ATOM 579 CA MET A 39 27.179 -8.752 -11.570 1.00 64.13 C ATOM 580 C MET A 39 26.016 -7.824 -11.902 1.00 53.53 C ATOM 581 O MET A 39 26.199 -6.618 -12.074 1.00 20.13 O ATOM 582 CB MET A 39 27.000 -9.332 -10.166 1.00 72.00 C ATOM 583 CG MET A 39 27.311 -8.342 -9.055 1.00 62.13 C ATOM 584 SD MET A 39 29.035 -8.407 -8.530 1.00 51.13 S ATOM 585 CE MET A 39 28.844 -8.491 -6.751 1.00 61.44 C ATOM 0 H MET A 39 28.432 -7.089 -11.315 1.00 32.23 H new ATOM 0 HA MET A 39 27.187 -9.567 -12.293 1.00 64.13 H new ATOM 0 HB2 MET A 39 25.973 -9.680 -10.054 1.00 72.00 H new ATOM 0 HB3 MET A 39 27.646 -10.203 -10.057 1.00 72.00 H new ATOM 0 HG2 MET A 39 27.077 -7.334 -9.396 1.00 62.13 H new ATOM 0 HG3 MET A 39 26.667 -8.547 -8.200 1.00 62.13 H new ATOM 0 HE1 MET A 39 29.799 -8.749 -6.294 1.00 61.44 H new ATOM 0 HE2 MET A 39 28.512 -7.524 -6.375 1.00 61.44 H new ATOM 0 HE3 MET A 39 28.105 -9.251 -6.500 1.00 61.44 H new ATOM 595 N LYS A 40 24.818 -8.392 -11.992 1.00 41.11 N ATOM 596 CA LYS A 40 23.624 -7.616 -12.303 1.00 14.33 C ATOM 597 C LYS A 40 22.411 -8.159 -11.553 1.00 64.11 C ATOM 598 O LYS A 40 22.355 -9.343 -11.219 1.00 11.30 O ATOM 599 CB LYS A 40 23.355 -7.635 -13.809 1.00 44.43 C ATOM 600 CG LYS A 40 22.479 -6.489 -14.286 1.00 2.04 C ATOM 601 CD LYS A 40 21.705 -6.863 -15.539 1.00 2.43 C ATOM 602 CE LYS A 40 20.422 -7.607 -15.200 1.00 44.44 C ATOM 603 NZ LYS A 40 19.416 -6.714 -14.561 1.00 20.50 N ATOM 0 H LYS A 40 24.649 -9.388 -11.854 1.00 41.11 H new ATOM 0 HA LYS A 40 23.797 -6.588 -11.984 1.00 14.33 H new ATOM 0 HB2 LYS A 40 24.306 -7.599 -14.340 1.00 44.43 H new ATOM 0 HB3 LYS A 40 22.878 -8.579 -14.072 1.00 44.43 H new ATOM 0 HG2 LYS A 40 21.782 -6.210 -13.496 1.00 2.04 H new ATOM 0 HG3 LYS A 40 23.099 -5.615 -14.487 1.00 2.04 H new ATOM 0 HD2 LYS A 40 21.466 -5.961 -16.103 1.00 2.43 H new ATOM 0 HD3 LYS A 40 22.329 -7.485 -16.181 1.00 2.43 H new ATOM 0 HE2 LYS A 40 20.001 -8.037 -16.109 1.00 44.44 H new ATOM 0 HE3 LYS A 40 20.649 -8.436 -14.530 1.00 44.44 H new ATOM 0 HZ1 LYS A 40 19.309 -6.973 -13.559 1.00 20.50 H new ATOM 0 HZ2 LYS A 40 19.734 -5.726 -14.631 1.00 20.50 H new ATOM 0 HZ3 LYS A 40 18.502 -6.818 -15.045 1.00 20.50 H new ATOM 617 N VAL A 41 21.442 -7.287 -11.293 1.00 23.21 N ATOM 618 CA VAL A 41 20.230 -7.681 -10.585 1.00 52.51 C ATOM 619 C VAL A 41 19.009 -6.957 -11.142 1.00 60.15 C ATOM 620 O VAL A 41 19.117 -5.849 -11.667 1.00 43.03 O ATOM 621 CB VAL A 41 20.341 -7.390 -9.077 1.00 10.43 C ATOM 622 CG1 VAL A 41 20.431 -5.892 -8.827 1.00 12.12 C ATOM 623 CG2 VAL A 41 19.161 -7.993 -8.330 1.00 23.33 C ATOM 0 H VAL A 41 21.473 -6.304 -11.562 1.00 23.21 H new ATOM 0 HA VAL A 41 20.112 -8.754 -10.733 1.00 52.51 H new ATOM 0 HB VAL A 41 21.254 -7.852 -8.702 1.00 10.43 H new ATOM 0 HG11 VAL A 41 20.509 -5.706 -7.756 1.00 12.12 H new ATOM 0 HG12 VAL A 41 21.311 -5.491 -9.330 1.00 12.12 H new ATOM 0 HG13 VAL A 41 19.537 -5.404 -9.216 1.00 12.12 H new ATOM 0 HG21 VAL A 41 19.256 -7.778 -7.266 1.00 23.33 H new ATOM 0 HG22 VAL A 41 18.233 -7.562 -8.706 1.00 23.33 H new ATOM 0 HG23 VAL A 41 19.147 -9.072 -8.482 1.00 23.33 H new ATOM 633 N SER A 42 17.847 -7.592 -11.024 1.00 50.44 N ATOM 634 CA SER A 42 16.605 -7.010 -11.519 1.00 52.04 C ATOM 635 C SER A 42 15.422 -7.437 -10.655 1.00 64.52 C ATOM 636 O SER A 42 15.214 -8.626 -10.411 1.00 22.12 O ATOM 637 CB SER A 42 16.366 -7.426 -12.972 1.00 52.43 C ATOM 638 OG SER A 42 15.642 -8.642 -13.042 1.00 52.22 O ATOM 0 H SER A 42 17.740 -8.509 -10.590 1.00 50.44 H new ATOM 0 HA SER A 42 16.696 -5.925 -11.469 1.00 52.04 H new ATOM 0 HB2 SER A 42 15.817 -6.642 -13.492 1.00 52.43 H new ATOM 0 HB3 SER A 42 17.322 -7.538 -13.483 1.00 52.43 H new ATOM 0 HG SER A 42 15.562 -9.027 -12.144 1.00 52.22 H new ATOM 644 N LYS A 43 14.650 -6.459 -10.195 1.00 21.33 N ATOM 645 CA LYS A 43 13.487 -6.731 -9.358 1.00 61.34 C ATOM 646 C LYS A 43 12.279 -5.928 -9.828 1.00 50.55 C ATOM 647 O LYS A 43 12.418 -4.801 -10.304 1.00 41.23 O ATOM 648 CB LYS A 43 13.796 -6.400 -7.896 1.00 72.25 C ATOM 649 CG LYS A 43 15.041 -7.089 -7.367 1.00 24.23 C ATOM 650 CD LYS A 43 15.734 -6.251 -6.305 1.00 54.01 C ATOM 651 CE LYS A 43 16.854 -7.024 -5.627 1.00 63.43 C ATOM 652 NZ LYS A 43 16.331 -8.135 -4.785 1.00 31.12 N ATOM 0 H LYS A 43 14.808 -5.470 -10.388 1.00 21.33 H new ATOM 0 HA LYS A 43 13.251 -7.792 -9.441 1.00 61.34 H new ATOM 0 HB2 LYS A 43 13.917 -5.322 -7.794 1.00 72.25 H new ATOM 0 HB3 LYS A 43 12.943 -6.685 -7.280 1.00 72.25 H new ATOM 0 HG2 LYS A 43 14.771 -8.058 -6.948 1.00 24.23 H new ATOM 0 HG3 LYS A 43 15.731 -7.278 -8.190 1.00 24.23 H new ATOM 0 HD2 LYS A 43 16.138 -5.347 -6.760 1.00 54.01 H new ATOM 0 HD3 LYS A 43 15.006 -5.934 -5.558 1.00 54.01 H new ATOM 0 HE2 LYS A 43 17.526 -7.428 -6.384 1.00 63.43 H new ATOM 0 HE3 LYS A 43 17.441 -6.345 -5.009 1.00 63.43 H new ATOM 0 HZ1 LYS A 43 17.066 -8.863 -4.675 1.00 31.12 H new ATOM 0 HZ2 LYS A 43 16.066 -7.766 -3.849 1.00 31.12 H new ATOM 0 HZ3 LYS A 43 15.496 -8.553 -5.242 1.00 31.12 H new ATOM 666 N SER A 44 11.094 -6.514 -9.691 1.00 11.44 N ATOM 667 CA SER A 44 9.862 -5.852 -10.104 1.00 34.45 C ATOM 668 C SER A 44 8.643 -6.568 -9.529 1.00 55.12 C ATOM 669 O SER A 44 8.753 -7.664 -8.980 1.00 21.41 O ATOM 670 CB SER A 44 9.769 -5.808 -11.630 1.00 14.31 C ATOM 671 OG SER A 44 10.184 -7.036 -12.202 1.00 41.34 O ATOM 0 H SER A 44 10.961 -7.446 -9.297 1.00 11.44 H new ATOM 0 HA SER A 44 9.879 -4.832 -9.719 1.00 34.45 H new ATOM 0 HB2 SER A 44 8.743 -5.592 -11.929 1.00 14.31 H new ATOM 0 HB3 SER A 44 10.389 -4.997 -12.012 1.00 14.31 H new ATOM 0 HG SER A 44 10.114 -6.983 -13.178 1.00 41.34 H new ATOM 677 N CYS A 45 7.479 -5.939 -9.660 1.00 63.01 N ATOM 678 CA CYS A 45 6.238 -6.513 -9.155 1.00 1.13 C ATOM 679 C CYS A 45 5.524 -7.309 -10.243 1.00 51.24 C ATOM 680 O CYS A 45 5.201 -6.777 -11.306 1.00 21.12 O ATOM 681 CB CYS A 45 5.319 -5.409 -8.628 1.00 73.21 C ATOM 682 SG CYS A 45 5.576 -5.002 -6.871 1.00 62.22 S ATOM 0 H CYS A 45 7.370 -5.031 -10.112 1.00 63.01 H new ATOM 0 HA CYS A 45 6.486 -7.191 -8.338 1.00 1.13 H new ATOM 0 HB2 CYS A 45 5.471 -4.509 -9.224 1.00 73.21 H new ATOM 0 HB3 CYS A 45 4.283 -5.715 -8.771 1.00 73.21 H new ATOM 687 N VAL A 46 5.280 -8.587 -9.971 1.00 11.32 N ATOM 688 CA VAL A 46 4.603 -9.456 -10.925 1.00 72.25 C ATOM 689 C VAL A 46 3.481 -10.241 -10.255 1.00 10.24 C ATOM 690 O VAL A 46 3.517 -10.523 -9.057 1.00 3.13 O ATOM 691 CB VAL A 46 5.586 -10.445 -11.579 1.00 61.14 C ATOM 692 CG1 VAL A 46 6.681 -9.696 -12.324 1.00 73.22 C ATOM 693 CG2 VAL A 46 6.182 -11.374 -10.532 1.00 72.25 C ATOM 0 H VAL A 46 5.541 -9.043 -9.097 1.00 11.32 H new ATOM 0 HA VAL A 46 4.181 -8.811 -11.695 1.00 72.25 H new ATOM 0 HB VAL A 46 5.038 -11.051 -12.300 1.00 61.14 H new ATOM 0 HG11 VAL A 46 7.366 -10.411 -12.779 1.00 73.22 H new ATOM 0 HG12 VAL A 46 6.234 -9.076 -13.101 1.00 73.22 H new ATOM 0 HG13 VAL A 46 7.229 -9.063 -11.626 1.00 73.22 H new ATOM 0 HG21 VAL A 46 6.874 -12.066 -11.011 1.00 72.25 H new ATOM 0 HG22 VAL A 46 6.716 -10.786 -9.785 1.00 72.25 H new ATOM 0 HG23 VAL A 46 5.384 -11.936 -10.048 1.00 72.25 H new ATOM 703 N PRO A 47 2.459 -10.603 -11.044 1.00 34.35 N ATOM 704 CA PRO A 47 1.306 -11.362 -10.548 1.00 3.23 C ATOM 705 C PRO A 47 1.669 -12.799 -10.191 1.00 33.32 C ATOM 706 O PRO A 47 1.219 -13.329 -9.174 1.00 51.34 O ATOM 707 CB PRO A 47 0.329 -11.333 -11.726 1.00 24.32 C ATOM 708 CG PRO A 47 1.190 -11.149 -12.927 1.00 43.15 C ATOM 709 CD PRO A 47 2.349 -10.301 -12.481 1.00 21.14 C ATOM 0 HA PRO A 47 0.901 -10.935 -9.630 1.00 3.23 H new ATOM 0 HB2 PRO A 47 -0.244 -12.258 -11.788 1.00 24.32 H new ATOM 0 HB3 PRO A 47 -0.389 -10.519 -11.625 1.00 24.32 H new ATOM 0 HG2 PRO A 47 1.534 -12.109 -13.311 1.00 43.15 H new ATOM 0 HG3 PRO A 47 0.638 -10.663 -13.732 1.00 43.15 H new ATOM 0 HD2 PRO A 47 3.263 -10.556 -13.017 1.00 21.14 H new ATOM 0 HD3 PRO A 47 2.163 -9.241 -12.656 1.00 21.14 H new ATOM 717 N ARG A 48 2.484 -13.426 -11.033 1.00 4.53 N ATOM 718 CA ARG A 48 2.906 -14.802 -10.806 1.00 23.52 C ATOM 719 C ARG A 48 4.409 -14.954 -11.026 1.00 74.11 C ATOM 720 O ARG A 48 4.929 -14.613 -12.089 1.00 13.11 O ATOM 721 CB ARG A 48 2.146 -15.751 -11.734 1.00 74.01 C ATOM 722 CG ARG A 48 0.747 -16.091 -11.245 1.00 3.22 C ATOM 723 CD ARG A 48 -0.095 -16.708 -12.350 1.00 61.41 C ATOM 724 NE ARG A 48 0.022 -18.164 -12.379 1.00 15.15 N ATOM 725 CZ ARG A 48 0.953 -18.813 -13.068 1.00 23.35 C ATOM 726 NH1 ARG A 48 1.845 -18.140 -13.781 1.00 1.32 N ATOM 727 NH2 ARG A 48 0.995 -20.139 -13.043 1.00 75.35 N ATOM 0 H ARG A 48 2.865 -13.002 -11.879 1.00 4.53 H new ATOM 0 HA ARG A 48 2.680 -15.058 -9.771 1.00 23.52 H new ATOM 0 HB2 ARG A 48 2.076 -15.299 -12.724 1.00 74.01 H new ATOM 0 HB3 ARG A 48 2.717 -16.673 -11.844 1.00 74.01 H new ATOM 0 HG2 ARG A 48 0.812 -16.784 -10.406 1.00 3.22 H new ATOM 0 HG3 ARG A 48 0.260 -15.188 -10.876 1.00 3.22 H new ATOM 0 HD2 ARG A 48 -1.140 -16.431 -12.207 1.00 61.41 H new ATOM 0 HD3 ARG A 48 0.214 -16.300 -13.312 1.00 61.41 H new ATOM 0 HE ARG A 48 -0.649 -18.712 -11.840 1.00 15.15 H new ATOM 0 HH11 ARG A 48 1.817 -17.121 -13.801 1.00 1.32 H new ATOM 0 HH12 ARG A 48 2.559 -18.642 -14.309 1.00 1.32 H new ATOM 0 HH21 ARG A 48 0.312 -20.661 -12.494 1.00 75.35 H new ATOM 0 HH22 ARG A 48 1.711 -20.637 -13.573 1.00 75.35 H new ATOM 741 N CYS A 49 5.101 -15.467 -10.015 1.00 31.43 N ATOM 742 CA CYS A 49 6.543 -15.664 -10.096 1.00 41.32 C ATOM 743 C CYS A 49 6.926 -17.074 -9.655 1.00 40.52 C ATOM 744 O CYS A 49 6.315 -17.639 -8.748 1.00 25.30 O ATOM 745 CB CYS A 49 7.269 -14.632 -9.230 1.00 40.15 C ATOM 746 SG CYS A 49 9.085 -14.767 -9.278 1.00 41.24 S ATOM 0 H CYS A 49 4.686 -15.754 -9.129 1.00 31.43 H new ATOM 0 HA CYS A 49 6.844 -15.533 -11.135 1.00 41.32 H new ATOM 0 HB2 CYS A 49 6.981 -13.633 -9.556 1.00 40.15 H new ATOM 0 HB3 CYS A 49 6.934 -14.739 -8.198 1.00 40.15 H new ATOM 751 N PHE A 50 7.941 -17.635 -10.303 1.00 41.04 N ATOM 752 CA PHE A 50 8.406 -18.979 -9.979 1.00 53.33 C ATOM 753 C PHE A 50 9.930 -19.039 -9.967 1.00 3.22 C ATOM 754 O PHE A 50 10.599 -18.222 -10.599 1.00 13.30 O ATOM 755 CB PHE A 50 7.852 -19.989 -10.986 1.00 65.33 C ATOM 756 CG PHE A 50 8.504 -19.908 -12.337 1.00 40.51 C ATOM 757 CD1 PHE A 50 8.405 -18.755 -13.100 1.00 2.01 C ATOM 758 CD2 PHE A 50 9.216 -20.983 -12.844 1.00 13.21 C ATOM 759 CE1 PHE A 50 9.003 -18.678 -14.344 1.00 2.45 C ATOM 760 CE2 PHE A 50 9.816 -20.911 -14.087 1.00 22.11 C ATOM 761 CZ PHE A 50 9.711 -19.756 -14.837 1.00 75.41 C ATOM 0 H PHE A 50 8.458 -17.180 -11.056 1.00 41.04 H new ATOM 0 HA PHE A 50 8.043 -19.232 -8.983 1.00 53.33 H new ATOM 0 HB2 PHE A 50 7.982 -20.995 -10.588 1.00 65.33 H new ATOM 0 HB3 PHE A 50 6.780 -19.827 -11.098 1.00 65.33 H new ATOM 0 HD1 PHE A 50 7.855 -17.908 -12.718 1.00 2.01 H new ATOM 0 HD2 PHE A 50 9.303 -21.888 -12.261 1.00 13.21 H new ATOM 0 HE1 PHE A 50 8.916 -17.775 -14.930 1.00 2.45 H new ATOM 0 HE2 PHE A 50 10.366 -21.757 -14.471 1.00 22.11 H new ATOM 0 HZ PHE A 50 10.182 -19.696 -15.807 1.00 75.41 H new ATOM 771 N GLU A 51 10.472 -20.012 -9.242 1.00 24.34 N ATOM 772 CA GLU A 51 11.918 -20.178 -9.145 1.00 71.15 C ATOM 773 C GLU A 51 12.516 -20.539 -10.502 1.00 75.43 C ATOM 774 O GLU A 51 11.831 -21.080 -11.372 1.00 21.45 O ATOM 775 CB GLU A 51 12.262 -21.260 -8.120 1.00 4.02 C ATOM 776 CG GLU A 51 11.941 -20.866 -6.688 1.00 52.20 C ATOM 777 CD GLU A 51 12.557 -19.537 -6.297 1.00 14.45 C ATOM 778 OE1 GLU A 51 13.802 -19.439 -6.291 1.00 72.01 O ATOM 779 OE2 GLU A 51 11.794 -18.595 -5.995 1.00 44.45 O ATOM 0 H GLU A 51 9.932 -20.697 -8.713 1.00 24.34 H new ATOM 0 HA GLU A 51 12.346 -19.230 -8.819 1.00 71.15 H new ATOM 0 HB2 GLU A 51 11.717 -22.170 -8.368 1.00 4.02 H new ATOM 0 HB3 GLU A 51 13.324 -21.494 -8.194 1.00 4.02 H new ATOM 0 HG2 GLU A 51 10.859 -20.812 -6.564 1.00 52.20 H new ATOM 0 HG3 GLU A 51 12.301 -21.642 -6.012 1.00 52.20 H new ATOM 786 N THR A 52 13.798 -20.236 -10.677 1.00 50.34 N ATOM 787 CA THR A 52 14.488 -20.526 -11.928 1.00 4.14 C ATOM 788 C THR A 52 14.789 -22.015 -12.057 1.00 10.22 C ATOM 789 O THR A 52 15.507 -22.587 -11.236 1.00 75.14 O ATOM 790 CB THR A 52 15.806 -19.736 -12.038 1.00 63.21 C ATOM 791 OG1 THR A 52 16.344 -19.495 -10.733 1.00 32.21 O ATOM 792 CG2 THR A 52 15.585 -18.412 -12.754 1.00 23.05 C ATOM 0 H THR A 52 14.380 -19.790 -9.968 1.00 50.34 H new ATOM 0 HA THR A 52 13.822 -20.221 -12.735 1.00 4.14 H new ATOM 0 HB THR A 52 16.513 -20.330 -12.617 1.00 63.21 H new ATOM 0 HG1 THR A 52 17.232 -19.904 -10.664 1.00 32.21 H new ATOM 0 HG21 THR A 52 16.529 -17.872 -12.820 1.00 23.05 H new ATOM 0 HG22 THR A 52 15.204 -18.600 -13.758 1.00 23.05 H new ATOM 0 HG23 THR A 52 14.863 -17.814 -12.198 1.00 23.05 H new ATOM 800 N VAL A 53 14.236 -22.638 -13.093 1.00 2.31 N ATOM 801 CA VAL A 53 14.447 -24.061 -13.331 1.00 10.33 C ATOM 802 C VAL A 53 15.415 -24.287 -14.486 1.00 64.31 C ATOM 803 O VAL A 53 15.427 -23.531 -15.457 1.00 42.25 O ATOM 804 CB VAL A 53 13.121 -24.781 -13.638 1.00 54.22 C ATOM 805 CG1 VAL A 53 13.362 -26.263 -13.883 1.00 54.40 C ATOM 806 CG2 VAL A 53 12.127 -24.574 -12.505 1.00 3.12 C ATOM 0 H VAL A 53 13.638 -22.179 -13.781 1.00 2.31 H new ATOM 0 HA VAL A 53 14.873 -24.475 -12.417 1.00 10.33 H new ATOM 0 HB VAL A 53 12.697 -24.352 -14.546 1.00 54.22 H new ATOM 0 HG11 VAL A 53 12.414 -26.755 -14.098 1.00 54.40 H new ATOM 0 HG12 VAL A 53 14.036 -26.387 -14.731 1.00 54.40 H new ATOM 0 HG13 VAL A 53 13.810 -26.710 -12.996 1.00 54.40 H new ATOM 0 HG21 VAL A 53 11.196 -25.090 -12.739 1.00 3.12 H new ATOM 0 HG22 VAL A 53 12.541 -24.975 -11.580 1.00 3.12 H new ATOM 0 HG23 VAL A 53 11.931 -23.509 -12.383 1.00 3.12 H new ATOM 816 N TYR A 54 16.226 -25.333 -14.374 1.00 62.54 N ATOM 817 CA TYR A 54 17.200 -25.659 -15.409 1.00 64.32 C ATOM 818 C TYR A 54 17.645 -27.115 -15.300 1.00 3.53 C ATOM 819 O TYR A 54 17.249 -27.829 -14.379 1.00 1.03 O ATOM 820 CB TYR A 54 18.414 -24.734 -15.306 1.00 22.21 C ATOM 821 CG TYR A 54 19.171 -24.872 -14.004 1.00 44.24 C ATOM 822 CD1 TYR A 54 18.802 -24.141 -12.882 1.00 42.32 C ATOM 823 CD2 TYR A 54 20.256 -25.734 -13.897 1.00 33.11 C ATOM 824 CE1 TYR A 54 19.492 -24.263 -11.691 1.00 52.25 C ATOM 825 CE2 TYR A 54 20.950 -25.864 -12.710 1.00 3.33 C ATOM 826 CZ TYR A 54 20.565 -25.126 -11.610 1.00 52.31 C ATOM 827 OH TYR A 54 21.253 -25.251 -10.425 1.00 64.23 O ATOM 0 H TYR A 54 16.228 -25.970 -13.577 1.00 62.54 H new ATOM 0 HA TYR A 54 16.723 -25.515 -16.379 1.00 64.32 H new ATOM 0 HB2 TYR A 54 19.091 -24.943 -16.134 1.00 22.21 H new ATOM 0 HB3 TYR A 54 18.084 -23.701 -15.417 1.00 22.21 H new ATOM 0 HD1 TYR A 54 17.961 -23.466 -12.941 1.00 42.32 H new ATOM 0 HD2 TYR A 54 20.562 -26.312 -14.757 1.00 33.11 H new ATOM 0 HE1 TYR A 54 19.193 -23.686 -10.828 1.00 52.25 H new ATOM 0 HE2 TYR A 54 21.790 -26.540 -12.643 1.00 3.33 H new ATOM 0 HH TYR A 54 21.469 -26.194 -10.270 1.00 64.23 H new ATOM 837 N ASP A 55 18.472 -27.546 -16.246 1.00 33.20 N ATOM 838 CA ASP A 55 18.973 -28.916 -16.257 1.00 3.53 C ATOM 839 C ASP A 55 20.294 -29.005 -17.015 1.00 1.52 C ATOM 840 O ASP A 55 20.358 -29.566 -18.107 1.00 72.34 O ATOM 841 CB ASP A 55 17.944 -29.853 -16.889 1.00 32.50 C ATOM 842 CG ASP A 55 17.376 -29.302 -18.182 1.00 35.21 C ATOM 843 OD1 ASP A 55 16.391 -28.536 -18.118 1.00 24.51 O ATOM 844 OD2 ASP A 55 17.914 -29.637 -19.258 1.00 24.23 O ATOM 0 H ASP A 55 18.810 -26.967 -17.015 1.00 33.20 H new ATOM 0 HA ASP A 55 19.145 -29.222 -15.225 1.00 3.53 H new ATOM 0 HB2 ASP A 55 18.408 -30.820 -17.083 1.00 32.50 H new ATOM 0 HB3 ASP A 55 17.132 -30.025 -16.183 1.00 32.50 H new ATOM 849 N GLY A 56 21.347 -28.445 -16.427 1.00 2.32 N ATOM 850 CA GLY A 56 22.652 -28.471 -17.062 1.00 10.25 C ATOM 851 C GLY A 56 22.823 -27.361 -18.080 1.00 65.30 C ATOM 852 O GLY A 56 23.040 -27.624 -19.263 1.00 55.45 O ATOM 0 H GLY A 56 21.320 -27.974 -15.523 1.00 2.32 H new ATOM 0 HA2 GLY A 56 23.426 -28.383 -16.299 1.00 10.25 H new ATOM 0 HA3 GLY A 56 22.795 -29.434 -17.552 1.00 10.25 H new ATOM 856 N TYR A 57 22.726 -26.119 -17.621 1.00 13.31 N ATOM 857 CA TYR A 57 22.867 -24.965 -18.501 1.00 63.24 C ATOM 858 C TYR A 57 23.433 -23.768 -17.744 1.00 1.11 C ATOM 859 O TYR A 57 24.278 -23.035 -18.259 1.00 74.53 O ATOM 860 CB TYR A 57 21.517 -24.600 -19.119 1.00 54.04 C ATOM 861 CG TYR A 57 21.118 -25.492 -20.274 1.00 10.54 C ATOM 862 CD1 TYR A 57 20.410 -26.667 -20.057 1.00 63.30 C ATOM 863 CD2 TYR A 57 21.448 -25.157 -21.581 1.00 63.33 C ATOM 864 CE1 TYR A 57 20.045 -27.485 -21.109 1.00 32.14 C ATOM 865 CE2 TYR A 57 21.086 -25.968 -22.639 1.00 74.33 C ATOM 866 CZ TYR A 57 20.384 -27.131 -22.398 1.00 25.22 C ATOM 867 OH TYR A 57 20.021 -27.942 -23.448 1.00 70.52 O ATOM 0 H TYR A 57 22.550 -25.885 -16.644 1.00 13.31 H new ATOM 0 HA TYR A 57 23.563 -25.230 -19.297 1.00 63.24 H new ATOM 0 HB2 TYR A 57 20.748 -24.652 -18.348 1.00 54.04 H new ATOM 0 HB3 TYR A 57 21.552 -23.567 -19.464 1.00 54.04 H new ATOM 0 HD1 TYR A 57 20.140 -26.946 -19.049 1.00 63.30 H new ATOM 0 HD2 TYR A 57 21.997 -24.247 -21.773 1.00 63.33 H new ATOM 0 HE1 TYR A 57 19.497 -28.397 -20.923 1.00 32.14 H new ATOM 0 HE2 TYR A 57 21.351 -25.693 -23.649 1.00 74.33 H new ATOM 0 HH TYR A 57 20.335 -27.549 -24.289 1.00 70.52 H new ATOM 877 N SER A 58 22.961 -23.576 -16.516 1.00 63.01 N ATOM 878 CA SER A 58 23.417 -22.466 -15.687 1.00 33.31 C ATOM 879 C SER A 58 23.176 -22.758 -14.209 1.00 23.21 C ATOM 880 O SER A 58 22.058 -22.624 -13.711 1.00 23.31 O ATOM 881 CB SER A 58 22.699 -21.175 -16.087 1.00 24.43 C ATOM 882 OG SER A 58 22.356 -21.188 -17.462 1.00 1.55 O ATOM 0 H SER A 58 22.263 -24.174 -16.073 1.00 63.01 H new ATOM 0 HA SER A 58 24.488 -22.342 -15.845 1.00 33.31 H new ATOM 0 HB2 SER A 58 21.798 -21.055 -15.485 1.00 24.43 H new ATOM 0 HB3 SER A 58 23.340 -20.319 -15.877 1.00 24.43 H new ATOM 0 HG SER A 58 21.897 -20.353 -17.693 1.00 1.55 H new ATOM 888 N LYS A 59 24.234 -23.158 -13.512 1.00 23.32 N ATOM 889 CA LYS A 59 24.142 -23.469 -12.090 1.00 53.12 C ATOM 890 C LYS A 59 24.055 -22.193 -11.259 1.00 54.21 C ATOM 891 O LYS A 59 22.968 -21.774 -10.859 1.00 10.33 O ATOM 892 CB LYS A 59 25.351 -24.296 -11.648 1.00 73.50 C ATOM 893 CG LYS A 59 25.139 -25.796 -11.771 1.00 43.40 C ATOM 894 CD LYS A 59 24.275 -26.331 -10.642 1.00 75.33 C ATOM 895 CE LYS A 59 25.111 -26.702 -9.427 1.00 52.31 C ATOM 896 NZ LYS A 59 25.388 -25.521 -8.564 1.00 1.44 N ATOM 0 H LYS A 59 25.166 -23.275 -13.909 1.00 23.32 H new ATOM 0 HA LYS A 59 23.234 -24.050 -11.929 1.00 53.12 H new ATOM 0 HB2 LYS A 59 26.215 -24.009 -12.247 1.00 73.50 H new ATOM 0 HB3 LYS A 59 25.587 -24.054 -10.612 1.00 73.50 H new ATOM 0 HG2 LYS A 59 24.669 -26.021 -12.728 1.00 43.40 H new ATOM 0 HG3 LYS A 59 26.104 -26.303 -11.763 1.00 43.40 H new ATOM 0 HD2 LYS A 59 23.536 -25.580 -10.361 1.00 75.33 H new ATOM 0 HD3 LYS A 59 23.725 -27.206 -10.987 1.00 75.33 H new ATOM 0 HE2 LYS A 59 24.590 -27.462 -8.846 1.00 52.31 H new ATOM 0 HE3 LYS A 59 26.053 -27.142 -9.755 1.00 52.31 H new ATOM 0 HZ1 LYS A 59 25.348 -25.805 -7.564 1.00 1.44 H new ATOM 0 HZ2 LYS A 59 26.334 -25.147 -8.781 1.00 1.44 H new ATOM 0 HZ3 LYS A 59 24.675 -24.785 -8.743 1.00 1.44 H new ATOM 910 N HIS A 60 25.205 -21.578 -11.004 1.00 63.21 N ATOM 911 CA HIS A 60 25.258 -20.348 -10.222 1.00 42.02 C ATOM 912 C HIS A 60 25.404 -19.132 -11.132 1.00 12.21 C ATOM 913 O HIS A 60 25.978 -18.117 -10.740 1.00 1.43 O ATOM 914 CB HIS A 60 26.420 -20.399 -9.230 1.00 21.13 C ATOM 915 CG HIS A 60 27.759 -20.552 -9.883 1.00 22.44 C ATOM 916 ND1 HIS A 60 28.552 -19.480 -10.235 1.00 74.54 N ATOM 917 CD2 HIS A 60 28.446 -21.661 -10.245 1.00 73.21 C ATOM 918 CE1 HIS A 60 29.667 -19.923 -10.788 1.00 72.23 C ATOM 919 NE2 HIS A 60 29.628 -21.243 -10.806 1.00 34.43 N ATOM 0 H HIS A 60 26.113 -21.911 -11.328 1.00 63.21 H new ATOM 0 HA HIS A 60 24.323 -20.257 -9.670 1.00 42.02 H new ATOM 0 HB2 HIS A 60 26.418 -19.487 -8.634 1.00 21.13 H new ATOM 0 HB3 HIS A 60 26.263 -21.230 -8.542 1.00 21.13 H new ATOM 0 HD2 HIS A 60 28.124 -22.684 -10.117 1.00 73.21 H new ATOM 0 HE1 HIS A 60 30.474 -19.310 -11.162 1.00 72.23 H new ATOM 0 HE2 HIS A 60 30.357 -21.853 -11.176 1.00 34.43 H new ATOM 927 N ALA A 61 24.881 -19.243 -12.349 1.00 14.15 N ATOM 928 CA ALA A 61 24.951 -18.152 -13.313 1.00 64.40 C ATOM 929 C ALA A 61 23.782 -17.189 -13.139 1.00 62.03 C ATOM 930 O ALA A 61 23.923 -15.984 -13.345 1.00 11.51 O ATOM 931 CB ALA A 61 24.978 -18.703 -14.731 1.00 50.12 C ATOM 0 H ALA A 61 24.404 -20.078 -12.690 1.00 14.15 H new ATOM 0 HA ALA A 61 25.872 -17.598 -13.132 1.00 64.40 H new ATOM 0 HB1 ALA A 61 25.030 -17.878 -15.441 1.00 50.12 H new ATOM 0 HB2 ALA A 61 25.850 -19.345 -14.855 1.00 50.12 H new ATOM 0 HB3 ALA A 61 24.073 -19.282 -14.914 1.00 50.12 H new ATOM 937 N SER A 62 22.628 -17.729 -12.760 1.00 41.43 N ATOM 938 CA SER A 62 21.433 -16.917 -12.563 1.00 52.14 C ATOM 939 C SER A 62 20.463 -17.602 -11.605 1.00 40.50 C ATOM 940 O SER A 62 20.147 -18.782 -11.760 1.00 12.32 O ATOM 941 CB SER A 62 20.743 -16.654 -13.903 1.00 50.33 C ATOM 942 OG SER A 62 20.240 -17.855 -14.463 1.00 4.22 O ATOM 0 H SER A 62 22.495 -18.725 -12.583 1.00 41.43 H new ATOM 0 HA SER A 62 21.738 -15.966 -12.126 1.00 52.14 H new ATOM 0 HB2 SER A 62 19.927 -15.945 -13.762 1.00 50.33 H new ATOM 0 HB3 SER A 62 21.449 -16.194 -14.595 1.00 50.33 H new ATOM 0 HG SER A 62 20.172 -18.539 -13.764 1.00 4.22 H new ATOM 948 N THR A 63 19.993 -16.852 -10.613 1.00 2.14 N ATOM 949 CA THR A 63 19.061 -17.385 -9.628 1.00 14.24 C ATOM 950 C THR A 63 17.923 -16.405 -9.361 1.00 24.31 C ATOM 951 O THR A 63 18.148 -15.288 -8.895 1.00 3.15 O ATOM 952 CB THR A 63 19.770 -17.705 -8.298 1.00 52.31 C ATOM 953 OG1 THR A 63 20.890 -16.831 -8.118 1.00 21.31 O ATOM 954 CG2 THR A 63 20.239 -19.152 -8.269 1.00 54.35 C ATOM 0 H THR A 63 20.243 -15.873 -10.471 1.00 2.14 H new ATOM 0 HA THR A 63 18.654 -18.306 -10.045 1.00 14.24 H new ATOM 0 HB THR A 63 19.058 -17.555 -7.486 1.00 52.31 H new ATOM 0 HG1 THR A 63 21.426 -17.139 -7.358 1.00 21.31 H new ATOM 0 HG21 THR A 63 20.737 -19.354 -7.320 1.00 54.35 H new ATOM 0 HG22 THR A 63 19.381 -19.815 -8.377 1.00 54.35 H new ATOM 0 HG23 THR A 63 20.936 -19.325 -9.089 1.00 54.35 H new ATOM 962 N THR A 64 16.700 -16.831 -9.659 1.00 53.01 N ATOM 963 CA THR A 64 15.527 -15.991 -9.452 1.00 33.11 C ATOM 964 C THR A 64 14.749 -16.428 -8.216 1.00 2.04 C ATOM 965 O THR A 64 14.562 -17.621 -7.978 1.00 21.22 O ATOM 966 CB THR A 64 14.589 -16.025 -10.673 1.00 75.31 C ATOM 967 OG1 THR A 64 15.315 -15.684 -11.859 1.00 23.41 O ATOM 968 CG2 THR A 64 13.426 -15.061 -10.490 1.00 23.03 C ATOM 0 H THR A 64 16.496 -17.753 -10.045 1.00 53.01 H new ATOM 0 HA THR A 64 15.889 -14.973 -9.309 1.00 33.11 H new ATOM 0 HB THR A 64 14.191 -17.035 -10.769 1.00 75.31 H new ATOM 0 HG1 THR A 64 14.737 -15.802 -12.642 1.00 23.41 H new ATOM 0 HG21 THR A 64 12.778 -15.103 -11.365 1.00 23.03 H new ATOM 0 HG22 THR A 64 12.857 -15.341 -9.603 1.00 23.03 H new ATOM 0 HG23 THR A 64 13.809 -14.047 -10.370 1.00 23.03 H new ATOM 976 N SER A 65 14.297 -15.454 -7.432 1.00 25.34 N ATOM 977 CA SER A 65 13.542 -15.739 -6.217 1.00 61.12 C ATOM 978 C SER A 65 12.196 -15.020 -6.233 1.00 64.45 C ATOM 979 O SER A 65 12.035 -13.995 -6.895 1.00 51.34 O ATOM 980 CB SER A 65 14.343 -15.319 -4.983 1.00 54.21 C ATOM 981 OG SER A 65 13.801 -15.890 -3.805 1.00 31.31 O ATOM 0 H SER A 65 14.440 -14.461 -7.616 1.00 25.34 H new ATOM 0 HA SER A 65 13.360 -16.813 -6.175 1.00 61.12 H new ATOM 0 HB2 SER A 65 15.382 -15.629 -5.097 1.00 54.21 H new ATOM 0 HB3 SER A 65 14.343 -14.232 -4.898 1.00 54.21 H new ATOM 0 HG SER A 65 14.331 -15.608 -3.031 1.00 31.31 H new ATOM 987 N CYS A 66 11.232 -15.567 -5.500 1.00 43.40 N ATOM 988 CA CYS A 66 9.900 -14.980 -5.429 1.00 35.12 C ATOM 989 C CYS A 66 9.376 -14.992 -3.996 1.00 32.14 C ATOM 990 O CYS A 66 9.679 -15.899 -3.220 1.00 33.14 O ATOM 991 CB CYS A 66 8.936 -15.740 -6.342 1.00 74.21 C ATOM 992 SG CYS A 66 9.633 -16.166 -7.970 1.00 44.41 S ATOM 0 H CYS A 66 11.349 -16.416 -4.947 1.00 43.40 H new ATOM 0 HA CYS A 66 9.968 -13.945 -5.764 1.00 35.12 H new ATOM 0 HB2 CYS A 66 8.625 -16.657 -5.841 1.00 74.21 H new ATOM 0 HB3 CYS A 66 8.040 -15.137 -6.489 1.00 74.21 H new ATOM 997 N CYS A 67 8.588 -13.979 -3.651 1.00 71.10 N ATOM 998 CA CYS A 67 8.021 -13.871 -2.312 1.00 63.41 C ATOM 999 C CYS A 67 6.752 -13.025 -2.325 1.00 74.11 C ATOM 1000 O CYS A 67 6.413 -12.413 -3.338 1.00 0.14 O ATOM 1001 CB CYS A 67 9.044 -13.262 -1.351 1.00 34.25 C ATOM 1002 SG CYS A 67 10.076 -11.957 -2.092 1.00 22.40 S ATOM 0 H CYS A 67 8.327 -13.220 -4.281 1.00 71.10 H new ATOM 0 HA CYS A 67 7.764 -14.874 -1.971 1.00 63.41 H new ATOM 0 HB2 CYS A 67 8.517 -12.849 -0.491 1.00 34.25 H new ATOM 0 HB3 CYS A 67 9.692 -14.055 -0.977 1.00 34.25 H new ATOM 1007 N GLN A 68 6.055 -12.996 -1.194 1.00 33.32 N ATOM 1008 CA GLN A 68 4.823 -12.226 -1.076 1.00 15.44 C ATOM 1009 C GLN A 68 4.861 -11.322 0.152 1.00 4.22 C ATOM 1010 O GLN A 68 3.838 -10.779 0.568 1.00 13.24 O ATOM 1011 CB GLN A 68 3.616 -13.162 -0.996 1.00 32.30 C ATOM 1012 CG GLN A 68 2.343 -12.565 -1.574 1.00 61.55 C ATOM 1013 CD GLN A 68 1.518 -11.832 -0.536 1.00 33.24 C ATOM 1014 OE1 GLN A 68 1.209 -12.375 0.526 1.00 64.44 O ATOM 1015 NE2 GLN A 68 1.155 -10.591 -0.836 1.00 1.52 N ATOM 0 H GLN A 68 6.322 -13.497 -0.347 1.00 33.32 H new ATOM 0 HA GLN A 68 4.730 -11.600 -1.964 1.00 15.44 H new ATOM 0 HB2 GLN A 68 3.847 -14.086 -1.526 1.00 32.30 H new ATOM 0 HB3 GLN A 68 3.442 -13.428 0.047 1.00 32.30 H new ATOM 0 HG2 GLN A 68 2.602 -11.877 -2.379 1.00 61.55 H new ATOM 0 HG3 GLN A 68 1.742 -13.360 -2.015 1.00 61.55 H new ATOM 0 HE21 GLN A 68 1.433 -10.180 -1.727 1.00 1.52 H new ATOM 0 HE22 GLN A 68 0.598 -10.049 -0.175 1.00 1.52 H new ATOM 1024 N TYR A 69 6.048 -11.165 0.728 1.00 63.22 N ATOM 1025 CA TYR A 69 6.220 -10.329 1.910 1.00 30.20 C ATOM 1026 C TYR A 69 6.690 -8.930 1.524 1.00 0.02 C ATOM 1027 O TYR A 69 7.435 -8.757 0.559 1.00 32.13 O ATOM 1028 CB TYR A 69 7.223 -10.969 2.872 1.00 72.14 C ATOM 1029 CG TYR A 69 7.764 -10.011 3.908 1.00 11.33 C ATOM 1030 CD1 TYR A 69 6.923 -9.424 4.847 1.00 62.35 C ATOM 1031 CD2 TYR A 69 9.115 -9.691 3.949 1.00 2.42 C ATOM 1032 CE1 TYR A 69 7.413 -8.548 5.795 1.00 12.52 C ATOM 1033 CE2 TYR A 69 9.614 -8.816 4.895 1.00 31.11 C ATOM 1034 CZ TYR A 69 8.759 -8.247 5.816 1.00 72.02 C ATOM 1035 OH TYR A 69 9.251 -7.374 6.759 1.00 64.32 O ATOM 0 H TYR A 69 6.905 -11.606 0.395 1.00 63.22 H new ATOM 0 HA TYR A 69 5.254 -10.244 2.407 1.00 30.20 H new ATOM 0 HB2 TYR A 69 6.744 -11.807 3.379 1.00 72.14 H new ATOM 0 HB3 TYR A 69 8.055 -11.378 2.298 1.00 72.14 H new ATOM 0 HD1 TYR A 69 5.869 -9.657 4.835 1.00 62.35 H new ATOM 0 HD2 TYR A 69 9.787 -10.134 3.229 1.00 2.42 H new ATOM 0 HE1 TYR A 69 6.746 -8.101 6.517 1.00 12.52 H new ATOM 0 HE2 TYR A 69 10.668 -8.579 4.913 1.00 31.11 H new ATOM 0 HH TYR A 69 10.218 -7.271 6.637 1.00 64.32 H new ATOM 1045 N ASP A 70 6.250 -7.934 2.286 1.00 74.54 N ATOM 1046 CA ASP A 70 6.626 -6.550 2.026 1.00 15.52 C ATOM 1047 C ASP A 70 8.143 -6.391 2.014 1.00 32.40 C ATOM 1048 O ASP A 70 8.833 -6.853 2.924 1.00 41.12 O ATOM 1049 CB ASP A 70 6.013 -5.626 3.080 1.00 34.33 C ATOM 1050 CG ASP A 70 4.498 -5.604 3.020 1.00 51.32 C ATOM 1051 OD1 ASP A 70 3.951 -5.362 1.923 1.00 1.52 O ATOM 1052 OD2 ASP A 70 3.859 -5.829 4.069 1.00 42.03 O ATOM 0 H ASP A 70 5.633 -8.060 3.088 1.00 74.54 H new ATOM 0 HA ASP A 70 6.242 -6.274 1.044 1.00 15.52 H new ATOM 0 HB2 ASP A 70 6.330 -5.950 4.071 1.00 34.33 H new ATOM 0 HB3 ASP A 70 6.394 -4.615 2.938 1.00 34.33 H new ATOM 1057 N LEU A 71 8.656 -5.738 0.978 1.00 51.33 N ATOM 1058 CA LEU A 71 10.092 -5.519 0.846 1.00 63.31 C ATOM 1059 C LEU A 71 10.864 -6.814 1.079 1.00 34.33 C ATOM 1060 O LEU A 71 11.971 -6.802 1.617 1.00 1.45 O ATOM 1061 CB LEU A 71 10.558 -4.449 1.835 1.00 62.40 C ATOM 1062 CG LEU A 71 9.815 -3.114 1.779 1.00 33.42 C ATOM 1063 CD1 LEU A 71 10.505 -2.082 2.656 1.00 3.25 C ATOM 1064 CD2 LEU A 71 9.717 -2.618 0.344 1.00 11.01 C ATOM 0 H LEU A 71 8.099 -5.351 0.216 1.00 51.33 H new ATOM 0 HA LEU A 71 10.290 -5.177 -0.170 1.00 63.31 H new ATOM 0 HB2 LEU A 71 10.466 -4.851 2.844 1.00 62.40 H new ATOM 0 HB3 LEU A 71 11.617 -4.260 1.662 1.00 62.40 H new ATOM 0 HG LEU A 71 8.805 -3.266 2.159 1.00 33.42 H new ATOM 0 HD11 LEU A 71 9.962 -1.138 2.603 1.00 3.25 H new ATOM 0 HD12 LEU A 71 10.522 -2.434 3.687 1.00 3.25 H new ATOM 0 HD13 LEU A 71 11.527 -1.933 2.307 1.00 3.25 H new ATOM 0 HD21 LEU A 71 9.185 -1.667 0.323 1.00 11.01 H new ATOM 0 HD22 LEU A 71 10.719 -2.482 -0.063 1.00 11.01 H new ATOM 0 HD23 LEU A 71 9.177 -3.349 -0.258 1.00 11.01 H new ATOM 1076 N CYS A 72 10.272 -7.931 0.669 1.00 22.31 N ATOM 1077 CA CYS A 72 10.903 -9.235 0.831 1.00 24.43 C ATOM 1078 C CYS A 72 12.169 -9.336 -0.016 1.00 33.42 C ATOM 1079 O CYS A 72 13.109 -10.047 0.337 1.00 1.53 O ATOM 1080 CB CYS A 72 9.928 -10.349 0.445 1.00 31.04 C ATOM 1081 SG CYS A 72 9.380 -10.289 -1.291 1.00 1.00 S ATOM 0 H CYS A 72 9.356 -7.959 0.222 1.00 22.31 H new ATOM 0 HA CYS A 72 11.178 -9.349 1.880 1.00 24.43 H new ATOM 0 HB2 CYS A 72 10.402 -11.313 0.632 1.00 31.04 H new ATOM 0 HB3 CYS A 72 9.053 -10.292 1.093 1.00 31.04 H new ATOM 1086 N ASN A 73 12.183 -8.620 -1.135 1.00 64.23 N ATOM 1087 CA ASN A 73 13.332 -8.629 -2.033 1.00 65.03 C ATOM 1088 C ASN A 73 14.283 -7.480 -1.712 1.00 1.13 C ATOM 1089 O ASN A 73 15.029 -7.018 -2.574 1.00 4.03 O ATOM 1090 CB ASN A 73 12.870 -8.531 -3.488 1.00 53.03 C ATOM 1091 CG ASN A 73 12.165 -7.221 -3.784 1.00 33.22 C ATOM 1092 OD1 ASN A 73 11.828 -6.465 -2.872 1.00 65.13 O ATOM 1093 ND2 ASN A 73 11.937 -6.947 -5.063 1.00 62.41 N ATOM 0 H ASN A 73 11.412 -8.026 -1.442 1.00 64.23 H new ATOM 0 HA ASN A 73 13.865 -9.569 -1.890 1.00 65.03 H new ATOM 0 HB2 ASN A 73 13.732 -8.634 -4.148 1.00 53.03 H new ATOM 0 HB3 ASN A 73 12.198 -9.360 -3.710 1.00 53.03 H new ATOM 0 HD21 ASN A 73 11.465 -6.081 -5.323 1.00 62.41 H new ATOM 0 HD22 ASN A 73 12.234 -7.603 -5.786 1.00 62.41 H new ATOM 1100 N GLY A 74 14.250 -7.023 -0.463 1.00 71.14 N ATOM 1101 CA GLY A 74 15.113 -5.932 -0.049 1.00 60.34 C ATOM 1102 C GLY A 74 16.510 -6.401 0.307 1.00 72.34 C ATOM 1103 O GLY A 74 16.705 -7.085 1.311 1.00 33.51 O ATOM 0 H GLY A 74 13.641 -7.389 0.269 1.00 71.14 H new ATOM 0 HA2 GLY A 74 15.173 -5.196 -0.851 1.00 60.34 H new ATOM 0 HA3 GLY A 74 14.671 -5.430 0.812 1.00 60.34 H new TER 1107 GLY A 74