USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 435 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= -1.07 K(o=-2.8,f=-5.2!) USER MOD Set 1.2: A 73 ASN : amide:sc= -1.71 K(o=-2.8,f=-14!) USER MOD Set 2.1: A 32 THR OG1 : rot -60:sc= 1.24 USER MOD Set 2.2: A 62 SER OG : rot 32:sc= 0.386 USER MOD Set 3.1: A 10 ASN : amide:sc= 0.142 K(o=0.46,f=-2) USER MOD Set 3.2: A 40 LYS NZ :NH3+ 167:sc= 0.317 (180deg=-0.227) USER MOD Set 4.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.138 X(o=-0.14,f=0.17) USER MOD Single : A 16 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.7!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 110:sc= -1.82 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.697 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.932 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.262 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= -2.86 (180deg=-2.89) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 0.714 -4.762 -1.581 1.00 33.43 N ATOM 19 CA LEU A 2 2.046 -5.252 -1.244 1.00 1.44 C ATOM 20 C LEU A 2 3.122 -4.301 -1.760 1.00 32.25 C ATOM 21 O LEU A 2 2.946 -3.650 -2.789 1.00 45.52 O ATOM 22 CB LEU A 2 2.261 -6.649 -1.828 1.00 52.22 C ATOM 23 CG LEU A 2 3.589 -7.323 -1.484 1.00 21.50 C ATOM 24 CD1 LEU A 2 3.559 -7.867 -0.064 1.00 64.20 C ATOM 25 CD2 LEU A 2 3.895 -8.435 -2.477 1.00 25.54 C ATOM 0 HA LEU A 2 2.123 -5.304 -0.158 1.00 1.44 H new ATOM 0 HB2 LEU A 2 1.451 -7.293 -1.486 1.00 52.22 H new ATOM 0 HB3 LEU A 2 2.180 -6.584 -2.913 1.00 52.22 H new ATOM 0 HG LEU A 2 4.381 -6.577 -1.549 1.00 21.50 H new ATOM 0 HD11 LEU A 2 4.513 -8.343 0.163 1.00 64.20 H new ATOM 0 HD12 LEU A 2 3.386 -7.049 0.635 1.00 64.20 H new ATOM 0 HD13 LEU A 2 2.757 -8.599 0.028 1.00 64.20 H new ATOM 0 HD21 LEU A 2 4.844 -8.904 -2.217 1.00 25.54 H new ATOM 0 HD22 LEU A 2 3.101 -9.181 -2.444 1.00 25.54 H new ATOM 0 HD23 LEU A 2 3.960 -8.018 -3.482 1.00 25.54 H new ATOM 37 N ASP A 3 4.235 -4.229 -1.039 1.00 22.14 N ATOM 38 CA ASP A 3 5.341 -3.361 -1.425 1.00 44.10 C ATOM 39 C ASP A 3 6.603 -4.175 -1.694 1.00 20.42 C ATOM 40 O ASP A 3 6.968 -5.051 -0.909 1.00 63.32 O ATOM 41 CB ASP A 3 5.611 -2.326 -0.332 1.00 50.51 C ATOM 42 CG ASP A 3 4.335 -1.805 0.300 1.00 51.14 C ATOM 43 OD1 ASP A 3 3.694 -2.565 1.055 1.00 25.02 O ATOM 44 OD2 ASP A 3 3.976 -0.637 0.038 1.00 62.44 O ATOM 0 H ASP A 3 4.395 -4.761 -0.184 1.00 22.14 H new ATOM 0 HA ASP A 3 5.061 -2.844 -2.343 1.00 44.10 H new ATOM 0 HB2 ASP A 3 6.239 -2.772 0.439 1.00 50.51 H new ATOM 0 HB3 ASP A 3 6.170 -1.492 -0.756 1.00 50.51 H new ATOM 49 N CYS A 4 7.265 -3.881 -2.808 1.00 74.51 N ATOM 50 CA CYS A 4 8.484 -4.587 -3.182 1.00 45.43 C ATOM 51 C CYS A 4 9.513 -3.622 -3.765 1.00 63.12 C ATOM 52 O CYS A 4 9.200 -2.470 -4.066 1.00 14.21 O ATOM 53 CB CYS A 4 8.171 -5.689 -4.196 1.00 12.11 C ATOM 54 SG CYS A 4 6.768 -6.752 -3.728 1.00 31.44 S ATOM 0 H CYS A 4 6.977 -3.158 -3.468 1.00 74.51 H new ATOM 0 HA CYS A 4 8.903 -5.039 -2.283 1.00 45.43 H new ATOM 0 HB2 CYS A 4 7.959 -5.230 -5.162 1.00 12.11 H new ATOM 0 HB3 CYS A 4 9.057 -6.311 -4.326 1.00 12.11 H new ATOM 59 N HIS A 5 10.743 -4.101 -3.922 1.00 62.44 N ATOM 60 CA HIS A 5 11.819 -3.282 -4.470 1.00 74.43 C ATOM 61 C HIS A 5 11.794 -3.303 -5.996 1.00 23.24 C ATOM 62 O HIS A 5 12.048 -4.335 -6.617 1.00 23.32 O ATOM 63 CB HIS A 5 13.174 -3.777 -3.963 1.00 53.04 C ATOM 64 CG HIS A 5 13.422 -3.468 -2.519 1.00 42.32 C ATOM 65 ND1 HIS A 5 13.666 -2.193 -2.054 1.00 15.24 N ATOM 66 CD2 HIS A 5 13.462 -4.277 -1.435 1.00 4.33 C ATOM 67 CE1 HIS A 5 13.846 -2.231 -0.746 1.00 24.25 C ATOM 68 NE2 HIS A 5 13.728 -3.484 -0.345 1.00 72.31 N ATOM 0 H HIS A 5 11.020 -5.052 -3.678 1.00 62.44 H new ATOM 0 HA HIS A 5 11.668 -2.256 -4.136 1.00 74.43 H new ATOM 0 HB2 HIS A 5 13.236 -4.855 -4.111 1.00 53.04 H new ATOM 0 HB3 HIS A 5 13.964 -3.326 -4.563 1.00 53.04 H new ATOM 0 HD2 HIS A 5 13.313 -5.347 -1.428 1.00 4.33 H new ATOM 0 HE1 HIS A 5 14.054 -1.382 -0.112 1.00 24.25 H new ATOM 0 HE2 HIS A 5 13.819 -3.810 0.617 1.00 72.31 H new ATOM 76 N VAL A 6 11.486 -2.157 -6.594 1.00 2.44 N ATOM 77 CA VAL A 6 11.429 -2.043 -8.046 1.00 71.10 C ATOM 78 C VAL A 6 12.587 -1.206 -8.578 1.00 31.40 C ATOM 79 O VAL A 6 12.550 0.024 -8.534 1.00 62.31 O ATOM 80 CB VAL A 6 10.101 -1.414 -8.508 1.00 31.21 C ATOM 81 CG1 VAL A 6 10.070 -1.284 -10.023 1.00 41.20 C ATOM 82 CG2 VAL A 6 8.921 -2.236 -8.011 1.00 63.42 C ATOM 0 H VAL A 6 11.272 -1.294 -6.095 1.00 2.44 H new ATOM 0 HA VAL A 6 11.502 -3.054 -8.446 1.00 71.10 H new ATOM 0 HB VAL A 6 10.024 -0.414 -8.080 1.00 31.21 H new ATOM 0 HG11 VAL A 6 9.124 -0.838 -10.331 1.00 41.20 H new ATOM 0 HG12 VAL A 6 10.894 -0.650 -10.351 1.00 41.20 H new ATOM 0 HG13 VAL A 6 10.169 -2.271 -10.475 1.00 41.20 H new ATOM 0 HG21 VAL A 6 7.991 -1.777 -8.347 1.00 63.42 H new ATOM 0 HG22 VAL A 6 8.990 -3.249 -8.408 1.00 63.42 H new ATOM 0 HG23 VAL A 6 8.936 -2.272 -6.922 1.00 63.42 H new ATOM 92 N CYS A 7 13.615 -1.881 -9.081 1.00 60.22 N ATOM 93 CA CYS A 7 14.785 -1.201 -9.622 1.00 65.25 C ATOM 94 C CYS A 7 15.770 -2.204 -10.219 1.00 15.41 C ATOM 95 O CYS A 7 15.616 -3.413 -10.054 1.00 34.31 O ATOM 96 CB CYS A 7 15.475 -0.381 -8.531 1.00 0.24 C ATOM 97 SG CYS A 7 16.068 -1.370 -7.120 1.00 54.40 S ATOM 0 H CYS A 7 13.661 -2.899 -9.125 1.00 60.22 H new ATOM 0 HA CYS A 7 14.450 -0.531 -10.414 1.00 65.25 H new ATOM 0 HB2 CYS A 7 16.320 0.149 -8.970 1.00 0.24 H new ATOM 0 HB3 CYS A 7 14.780 0.374 -8.165 1.00 0.24 H new ATOM 102 N ALA A 8 16.781 -1.691 -10.912 1.00 53.32 N ATOM 103 CA ALA A 8 17.791 -2.540 -11.531 1.00 40.31 C ATOM 104 C ALA A 8 19.176 -1.910 -11.427 1.00 30.24 C ATOM 105 O ALA A 8 19.348 -0.718 -11.684 1.00 71.51 O ATOM 106 CB ALA A 8 17.438 -2.805 -12.987 1.00 50.41 C ATOM 0 H ALA A 8 16.922 -0.692 -11.059 1.00 53.32 H new ATOM 0 HA ALA A 8 17.811 -3.489 -10.995 1.00 40.31 H new ATOM 0 HB1 ALA A 8 18.201 -3.440 -13.437 1.00 50.41 H new ATOM 0 HB2 ALA A 8 16.471 -3.305 -13.042 1.00 50.41 H new ATOM 0 HB3 ALA A 8 17.389 -1.860 -13.527 1.00 50.41 H new ATOM 112 N TYR A 9 20.160 -2.717 -11.047 1.00 63.30 N ATOM 113 CA TYR A 9 21.530 -2.238 -10.905 1.00 61.05 C ATOM 114 C TYR A 9 22.530 -3.319 -11.305 1.00 34.45 C ATOM 115 O TYR A 9 22.250 -4.512 -11.188 1.00 42.30 O ATOM 116 CB TYR A 9 21.791 -1.793 -9.465 1.00 72.33 C ATOM 117 CG TYR A 9 23.185 -1.253 -9.241 1.00 61.14 C ATOM 118 CD1 TYR A 9 23.614 -0.096 -9.879 1.00 50.24 C ATOM 119 CD2 TYR A 9 24.073 -1.900 -8.391 1.00 5.21 C ATOM 120 CE1 TYR A 9 24.887 0.401 -9.678 1.00 63.32 C ATOM 121 CE2 TYR A 9 25.348 -1.410 -8.183 1.00 2.44 C ATOM 122 CZ TYR A 9 25.751 -0.259 -8.829 1.00 35.51 C ATOM 123 OH TYR A 9 27.019 0.233 -8.625 1.00 22.22 O ATOM 0 H TYR A 9 20.035 -3.706 -10.832 1.00 63.30 H new ATOM 0 HA TYR A 9 21.660 -1.385 -11.571 1.00 61.05 H new ATOM 0 HB2 TYR A 9 21.066 -1.026 -9.194 1.00 72.33 H new ATOM 0 HB3 TYR A 9 21.626 -2.638 -8.797 1.00 72.33 H new ATOM 0 HD1 TYR A 9 22.940 0.424 -10.544 1.00 50.24 H new ATOM 0 HD2 TYR A 9 23.761 -2.801 -7.884 1.00 5.21 H new ATOM 0 HE1 TYR A 9 25.204 1.302 -10.183 1.00 63.32 H new ATOM 0 HE2 TYR A 9 26.026 -1.925 -7.518 1.00 2.44 H new ATOM 0 HH TYR A 9 27.499 -0.348 -7.999 1.00 22.22 H new ATOM 133 N ASN A 10 23.697 -2.892 -11.776 1.00 33.35 N ATOM 134 CA ASN A 10 24.739 -3.823 -12.192 1.00 64.03 C ATOM 135 C ASN A 10 25.710 -4.101 -11.048 1.00 53.21 C ATOM 136 O ASN A 10 26.893 -3.776 -11.131 1.00 64.13 O ATOM 137 CB ASN A 10 25.500 -3.264 -13.396 1.00 51.53 C ATOM 138 CG ASN A 10 24.581 -2.596 -14.401 1.00 41.30 C ATOM 139 OD1 ASN A 10 23.401 -2.931 -14.498 1.00 35.20 O ATOM 140 ND2 ASN A 10 25.120 -1.645 -15.155 1.00 44.01 N ATOM 0 H ASN A 10 23.945 -1.908 -11.879 1.00 33.35 H new ATOM 0 HA ASN A 10 24.261 -4.761 -12.475 1.00 64.03 H new ATOM 0 HB2 ASN A 10 26.242 -2.544 -13.051 1.00 51.53 H new ATOM 0 HB3 ASN A 10 26.044 -4.072 -13.886 1.00 51.53 H new ATOM 0 HD21 ASN A 10 24.551 -1.160 -15.849 1.00 44.01 H new ATOM 0 HD22 ASN A 10 26.103 -1.399 -15.041 1.00 44.01 H new ATOM 147 N GLY A 11 25.199 -4.705 -9.979 1.00 52.14 N ATOM 148 CA GLY A 11 26.033 -5.017 -8.834 1.00 3.11 C ATOM 149 C GLY A 11 25.385 -6.021 -7.901 1.00 5.32 C ATOM 150 O GLY A 11 24.789 -7.000 -8.349 1.00 55.30 O ATOM 0 H GLY A 11 24.222 -4.984 -9.886 1.00 52.14 H new ATOM 0 HA2 GLY A 11 26.988 -5.412 -9.181 1.00 3.11 H new ATOM 0 HA3 GLY A 11 26.248 -4.101 -8.284 1.00 3.11 H new ATOM 154 N ASP A 12 25.504 -5.779 -6.600 1.00 42.10 N ATOM 155 CA ASP A 12 24.926 -6.670 -5.601 1.00 12.12 C ATOM 156 C ASP A 12 23.402 -6.657 -5.678 1.00 3.51 C ATOM 157 O ASP A 12 22.789 -7.594 -6.186 1.00 34.14 O ATOM 158 CB ASP A 12 25.382 -6.263 -4.199 1.00 15.13 C ATOM 159 CG ASP A 12 26.825 -6.639 -3.927 1.00 51.22 C ATOM 160 OD1 ASP A 12 27.087 -7.829 -3.656 1.00 23.42 O ATOM 161 OD2 ASP A 12 27.692 -5.743 -3.987 1.00 42.40 O ATOM 0 H ASP A 12 25.995 -4.973 -6.213 1.00 42.10 H new ATOM 0 HA ASP A 12 25.274 -7.682 -5.808 1.00 12.12 H new ATOM 0 HB2 ASP A 12 25.262 -5.186 -4.079 1.00 15.13 H new ATOM 0 HB3 ASP A 12 24.740 -6.740 -3.459 1.00 15.13 H new ATOM 166 N ASN A 13 22.798 -5.587 -5.169 1.00 64.42 N ATOM 167 CA ASN A 13 21.346 -5.453 -5.179 1.00 3.21 C ATOM 168 C ASN A 13 20.931 -4.019 -4.866 1.00 12.51 C ATOM 169 O ASN A 13 21.347 -3.445 -3.859 1.00 25.52 O ATOM 170 CB ASN A 13 20.718 -6.411 -4.165 1.00 13.43 C ATOM 171 CG ASN A 13 21.656 -6.736 -3.018 1.00 55.51 C ATOM 172 OD1 ASN A 13 22.235 -5.840 -2.403 1.00 32.44 O ATOM 173 ND2 ASN A 13 21.809 -8.022 -2.726 1.00 43.22 N ATOM 0 H ASN A 13 23.291 -4.801 -4.745 1.00 64.42 H new ATOM 0 HA ASN A 13 20.989 -5.706 -6.177 1.00 3.21 H new ATOM 0 HB2 ASN A 13 19.804 -5.968 -3.769 1.00 13.43 H new ATOM 0 HB3 ASN A 13 20.432 -7.334 -4.670 1.00 13.43 H new ATOM 0 HD21 ASN A 13 22.427 -8.302 -1.964 1.00 43.22 H new ATOM 0 HD22 ASN A 13 21.309 -8.730 -3.263 1.00 43.22 H new ATOM 180 N CYS A 14 20.106 -3.444 -5.735 1.00 64.14 N ATOM 181 CA CYS A 14 19.633 -2.077 -5.553 1.00 63.23 C ATOM 182 C CYS A 14 18.488 -2.028 -4.546 1.00 2.41 C ATOM 183 O CYS A 14 17.865 -3.047 -4.247 1.00 3.31 O ATOM 184 CB CYS A 14 19.177 -1.491 -6.891 1.00 15.14 C ATOM 185 SG CYS A 14 17.715 -2.313 -7.603 1.00 24.43 S ATOM 0 H CYS A 14 19.751 -3.904 -6.573 1.00 64.14 H new ATOM 0 HA CYS A 14 20.459 -1.481 -5.166 1.00 63.23 H new ATOM 0 HB2 CYS A 14 18.955 -0.432 -6.755 1.00 15.14 H new ATOM 0 HB3 CYS A 14 20.000 -1.556 -7.603 1.00 15.14 H new ATOM 190 N PHE A 15 18.216 -0.835 -4.026 1.00 22.20 N ATOM 191 CA PHE A 15 17.147 -0.652 -3.052 1.00 13.03 C ATOM 192 C PHE A 15 16.174 0.432 -3.509 1.00 25.33 C ATOM 193 O PHE A 15 16.539 1.602 -3.617 1.00 33.34 O ATOM 194 CB PHE A 15 17.730 -0.286 -1.685 1.00 70.32 C ATOM 195 CG PHE A 15 18.487 -1.410 -1.036 1.00 52.25 C ATOM 196 CD1 PHE A 15 17.992 -2.703 -1.064 1.00 75.54 C ATOM 197 CD2 PHE A 15 19.693 -1.172 -0.398 1.00 64.11 C ATOM 198 CE1 PHE A 15 18.686 -3.740 -0.469 1.00 13.23 C ATOM 199 CE2 PHE A 15 20.392 -2.204 0.199 1.00 62.31 C ATOM 200 CZ PHE A 15 19.887 -3.489 0.165 1.00 61.43 C ATOM 0 H PHE A 15 18.721 0.019 -4.263 1.00 22.20 H new ATOM 0 HA PHE A 15 16.602 -1.592 -2.967 1.00 13.03 H new ATOM 0 HB2 PHE A 15 18.394 0.570 -1.800 1.00 70.32 H new ATOM 0 HB3 PHE A 15 16.920 0.025 -1.025 1.00 70.32 H new ATOM 0 HD1 PHE A 15 17.052 -2.904 -1.557 1.00 75.54 H new ATOM 0 HD2 PHE A 15 20.092 -0.169 -0.367 1.00 64.11 H new ATOM 0 HE1 PHE A 15 18.290 -4.744 -0.500 1.00 13.23 H new ATOM 0 HE2 PHE A 15 21.332 -2.006 0.692 1.00 62.31 H new ATOM 0 HZ PHE A 15 20.430 -4.296 0.633 1.00 61.43 H new ATOM 210 N ASN A 16 14.935 0.032 -3.776 1.00 65.04 N ATOM 211 CA ASN A 16 13.910 0.968 -4.223 1.00 62.01 C ATOM 212 C ASN A 16 12.514 0.418 -3.947 1.00 61.13 C ATOM 213 O ASN A 16 11.863 -0.157 -4.820 1.00 14.32 O ATOM 214 CB ASN A 16 14.070 1.258 -5.717 1.00 24.41 C ATOM 215 CG ASN A 16 13.318 2.502 -6.149 1.00 22.35 C ATOM 216 OD1 ASN A 16 12.320 2.881 -5.536 1.00 72.31 O ATOM 217 ND2 ASN A 16 13.796 3.143 -7.209 1.00 14.54 N ATOM 0 H ASN A 16 14.617 -0.933 -3.691 1.00 65.04 H new ATOM 0 HA ASN A 16 14.033 1.896 -3.665 1.00 62.01 H new ATOM 0 HB2 ASN A 16 15.128 1.377 -5.950 1.00 24.41 H new ATOM 0 HB3 ASN A 16 13.712 0.403 -6.291 1.00 24.41 H new ATOM 0 HD21 ASN A 16 13.333 3.987 -7.547 1.00 14.54 H new ATOM 0 HD22 ASN A 16 14.627 2.792 -7.686 1.00 14.54 H new ATOM 224 N PRO A 17 12.042 0.598 -2.705 1.00 22.54 N ATOM 225 CA PRO A 17 10.719 0.128 -2.285 1.00 34.31 C ATOM 226 C PRO A 17 9.589 0.921 -2.934 1.00 23.23 C ATOM 227 O PRO A 17 9.514 2.141 -2.791 1.00 71.24 O ATOM 228 CB PRO A 17 10.727 0.350 -0.771 1.00 11.45 C ATOM 229 CG PRO A 17 11.711 1.447 -0.554 1.00 44.44 C ATOM 230 CD PRO A 17 12.764 1.274 -1.614 1.00 23.32 C ATOM 0 HA PRO A 17 10.543 -0.908 -2.576 1.00 34.31 H new ATOM 0 HB2 PRO A 17 9.738 0.628 -0.406 1.00 11.45 H new ATOM 0 HB3 PRO A 17 11.020 -0.555 -0.240 1.00 11.45 H new ATOM 0 HG2 PRO A 17 11.232 2.423 -0.635 1.00 44.44 H new ATOM 0 HG3 PRO A 17 12.147 1.388 0.443 1.00 44.44 H new ATOM 0 HD2 PRO A 17 13.172 2.232 -1.935 1.00 23.32 H new ATOM 0 HD3 PRO A 17 13.601 0.676 -1.255 1.00 23.32 H new ATOM 238 N MET A 18 8.713 0.220 -3.646 1.00 23.40 N ATOM 239 CA MET A 18 7.587 0.859 -4.315 1.00 54.42 C ATOM 240 C MET A 18 6.341 -0.018 -4.241 1.00 13.54 C ATOM 241 O MET A 18 6.400 -1.219 -4.501 1.00 32.43 O ATOM 242 CB MET A 18 7.933 1.151 -5.777 1.00 34.13 C ATOM 243 CG MET A 18 6.724 1.501 -6.629 1.00 53.12 C ATOM 244 SD MET A 18 5.851 2.960 -6.030 1.00 15.40 S ATOM 245 CE MET A 18 5.933 4.020 -7.472 1.00 32.12 C ATOM 0 H MET A 18 8.762 -0.791 -3.774 1.00 23.40 H new ATOM 0 HA MET A 18 7.379 1.799 -3.804 1.00 54.42 H new ATOM 0 HB2 MET A 18 8.645 1.975 -5.816 1.00 34.13 H new ATOM 0 HB3 MET A 18 8.429 0.280 -6.205 1.00 34.13 H new ATOM 0 HG2 MET A 18 7.046 1.671 -7.656 1.00 53.12 H new ATOM 0 HG3 MET A 18 6.039 0.654 -6.646 1.00 53.12 H new ATOM 0 HE1 MET A 18 5.434 4.965 -7.258 1.00 32.12 H new ATOM 0 HE2 MET A 18 6.976 4.210 -7.725 1.00 32.12 H new ATOM 0 HE3 MET A 18 5.439 3.531 -8.312 1.00 32.12 H new ATOM 255 N ARG A 19 5.215 0.591 -3.884 1.00 14.24 N ATOM 256 CA ARG A 19 3.955 -0.135 -3.773 1.00 62.15 C ATOM 257 C ARG A 19 3.452 -0.563 -5.149 1.00 42.21 C ATOM 258 O ARG A 19 3.431 0.232 -6.089 1.00 42.32 O ATOM 259 CB ARG A 19 2.902 0.731 -3.080 1.00 33.51 C ATOM 260 CG ARG A 19 1.538 0.068 -2.981 1.00 75.53 C ATOM 261 CD ARG A 19 1.453 -0.857 -1.777 1.00 1.22 C ATOM 262 NE ARG A 19 0.946 -0.168 -0.593 1.00 25.12 N ATOM 263 CZ ARG A 19 0.708 -0.775 0.564 1.00 14.15 C ATOM 264 NH1 ARG A 19 0.929 -2.076 0.693 1.00 54.13 N ATOM 265 NH2 ARG A 19 0.247 -0.080 1.597 1.00 40.12 N ATOM 0 H ARG A 19 5.149 1.585 -3.667 1.00 14.24 H new ATOM 0 HA ARG A 19 4.131 -1.029 -3.175 1.00 62.15 H new ATOM 0 HB2 ARG A 19 3.250 0.979 -2.077 1.00 33.51 H new ATOM 0 HB3 ARG A 19 2.801 1.671 -3.623 1.00 33.51 H new ATOM 0 HG2 ARG A 19 0.765 0.833 -2.908 1.00 75.53 H new ATOM 0 HG3 ARG A 19 1.341 -0.499 -3.891 1.00 75.53 H new ATOM 0 HD2 ARG A 19 0.803 -1.700 -2.012 1.00 1.22 H new ATOM 0 HD3 ARG A 19 2.441 -1.266 -1.564 1.00 1.22 H new ATOM 0 HE ARG A 19 0.765 0.834 -0.658 1.00 25.12 H new ATOM 0 HH11 ARG A 19 1.283 -2.614 -0.098 1.00 54.13 H new ATOM 0 HH12 ARG A 19 0.745 -2.539 1.583 1.00 54.13 H new ATOM 0 HH21 ARG A 19 0.075 0.921 1.502 1.00 40.12 H new ATOM 0 HH22 ARG A 19 0.064 -0.547 2.485 1.00 40.12 H new ATOM 279 N CYS A 20 3.048 -1.824 -5.260 1.00 2.22 N ATOM 280 CA CYS A 20 2.546 -2.359 -6.520 1.00 2.33 C ATOM 281 C CYS A 20 1.123 -1.878 -6.786 1.00 35.22 C ATOM 282 O CYS A 20 0.389 -1.496 -5.874 1.00 1.21 O ATOM 283 CB CYS A 20 2.585 -3.888 -6.500 1.00 73.10 C ATOM 284 SG CYS A 20 4.071 -4.584 -5.710 1.00 20.35 S ATOM 0 H CYS A 20 3.059 -2.495 -4.492 1.00 2.22 H new ATOM 0 HA CYS A 20 3.189 -1.997 -7.322 1.00 2.33 H new ATOM 0 HB2 CYS A 20 1.702 -4.256 -5.977 1.00 73.10 H new ATOM 0 HB3 CYS A 20 2.525 -4.256 -7.524 1.00 73.10 H new ATOM 289 N PRO A 21 0.721 -1.898 -8.065 1.00 40.15 N ATOM 290 CA PRO A 21 -0.617 -1.469 -8.482 1.00 13.41 C ATOM 291 C PRO A 21 -1.705 -2.434 -8.024 1.00 23.35 C ATOM 292 O PRO A 21 -1.421 -3.440 -7.374 1.00 30.04 O ATOM 293 CB PRO A 21 -0.525 -1.453 -10.010 1.00 14.12 C ATOM 294 CG PRO A 21 0.554 -2.427 -10.334 1.00 41.13 C ATOM 295 CD PRO A 21 1.542 -2.341 -9.204 1.00 65.43 C ATOM 0 HA PRO A 21 -0.890 -0.507 -8.048 1.00 13.41 H new ATOM 0 HB2 PRO A 21 -1.471 -1.744 -10.467 1.00 14.12 H new ATOM 0 HB3 PRO A 21 -0.284 -0.457 -10.382 1.00 14.12 H new ATOM 0 HG2 PRO A 21 0.154 -3.437 -10.426 1.00 41.13 H new ATOM 0 HG3 PRO A 21 1.027 -2.183 -11.285 1.00 41.13 H new ATOM 0 HD2 PRO A 21 2.014 -3.304 -9.009 1.00 65.43 H new ATOM 0 HD3 PRO A 21 2.341 -1.633 -9.422 1.00 65.43 H new ATOM 303 N ALA A 22 -2.950 -2.122 -8.367 1.00 31.11 N ATOM 304 CA ALA A 22 -4.080 -2.964 -7.993 1.00 25.04 C ATOM 305 C ALA A 22 -4.197 -4.169 -8.919 1.00 64.51 C ATOM 306 O ALA A 22 -5.247 -4.407 -9.514 1.00 34.11 O ATOM 307 CB ALA A 22 -5.369 -2.156 -8.009 1.00 44.14 C ATOM 0 H ALA A 22 -3.202 -1.292 -8.904 1.00 31.11 H new ATOM 0 HA ALA A 22 -3.908 -3.332 -6.982 1.00 25.04 H new ATOM 0 HB1 ALA A 22 -6.204 -2.798 -7.728 1.00 44.14 H new ATOM 0 HB2 ALA A 22 -5.290 -1.331 -7.301 1.00 44.14 H new ATOM 0 HB3 ALA A 22 -5.537 -1.759 -9.010 1.00 44.14 H new ATOM 313 N MET A 23 -3.111 -4.927 -9.037 1.00 42.23 N ATOM 314 CA MET A 23 -3.093 -6.108 -9.892 1.00 20.32 C ATOM 315 C MET A 23 -1.989 -7.071 -9.466 1.00 44.41 C ATOM 316 O MET A 23 -2.175 -8.287 -9.474 1.00 63.51 O ATOM 317 CB MET A 23 -2.897 -5.704 -11.354 1.00 51.41 C ATOM 318 CG MET A 23 -1.868 -4.601 -11.547 1.00 71.50 C ATOM 319 SD MET A 23 -1.578 -4.219 -13.285 1.00 3.31 S ATOM 320 CE MET A 23 -2.613 -2.771 -13.490 1.00 64.43 C ATOM 0 H MET A 23 -2.233 -4.744 -8.551 1.00 42.23 H new ATOM 0 HA MET A 23 -4.053 -6.614 -9.789 1.00 20.32 H new ATOM 0 HB2 MET A 23 -2.591 -6.580 -11.926 1.00 51.41 H new ATOM 0 HB3 MET A 23 -3.852 -5.374 -11.763 1.00 51.41 H new ATOM 0 HG2 MET A 23 -2.205 -3.701 -11.032 1.00 71.50 H new ATOM 0 HG3 MET A 23 -0.928 -4.901 -11.083 1.00 71.50 H new ATOM 0 HE1 MET A 23 -2.541 -2.415 -14.518 1.00 64.43 H new ATOM 0 HE2 MET A 23 -3.648 -3.029 -13.267 1.00 64.43 H new ATOM 0 HE3 MET A 23 -2.280 -1.987 -12.810 1.00 64.43 H new ATOM 330 N VAL A 24 -0.838 -6.517 -9.095 1.00 33.31 N ATOM 331 CA VAL A 24 0.296 -7.327 -8.665 1.00 53.32 C ATOM 332 C VAL A 24 0.184 -7.689 -7.189 1.00 2.15 C ATOM 333 O VAL A 24 -0.296 -6.896 -6.379 1.00 43.00 O ATOM 334 CB VAL A 24 1.630 -6.595 -8.904 1.00 11.03 C ATOM 335 CG1 VAL A 24 2.757 -7.277 -8.143 1.00 14.25 C ATOM 336 CG2 VAL A 24 1.943 -6.530 -10.391 1.00 21.11 C ATOM 0 H VAL A 24 -0.667 -5.512 -9.084 1.00 33.31 H new ATOM 0 HA VAL A 24 0.279 -8.239 -9.261 1.00 53.32 H new ATOM 0 HB VAL A 24 1.537 -5.575 -8.531 1.00 11.03 H new ATOM 0 HG11 VAL A 24 3.692 -6.746 -8.324 1.00 14.25 H new ATOM 0 HG12 VAL A 24 2.534 -7.266 -7.076 1.00 14.25 H new ATOM 0 HG13 VAL A 24 2.854 -8.308 -8.483 1.00 14.25 H new ATOM 0 HG21 VAL A 24 2.889 -6.010 -10.541 1.00 21.11 H new ATOM 0 HG22 VAL A 24 2.017 -7.541 -10.792 1.00 21.11 H new ATOM 0 HG23 VAL A 24 1.147 -5.993 -10.907 1.00 21.11 H new ATOM 346 N ALA A 25 0.632 -8.892 -6.845 1.00 35.23 N ATOM 347 CA ALA A 25 0.584 -9.359 -5.465 1.00 5.04 C ATOM 348 C ALA A 25 1.783 -10.246 -5.144 1.00 13.00 C ATOM 349 O ALA A 25 1.709 -11.116 -4.276 1.00 74.32 O ATOM 350 CB ALA A 25 -0.714 -10.108 -5.205 1.00 21.50 C ATOM 0 H ALA A 25 1.032 -9.561 -7.503 1.00 35.23 H new ATOM 0 HA ALA A 25 0.624 -8.488 -4.811 1.00 5.04 H new ATOM 0 HB1 ALA A 25 -0.735 -10.451 -4.170 1.00 21.50 H new ATOM 0 HB2 ALA A 25 -1.560 -9.444 -5.385 1.00 21.50 H new ATOM 0 HB3 ALA A 25 -0.779 -10.967 -5.873 1.00 21.50 H new ATOM 356 N TYR A 26 2.885 -10.020 -5.850 1.00 23.44 N ATOM 357 CA TYR A 26 4.099 -10.802 -5.642 1.00 12.30 C ATOM 358 C TYR A 26 5.330 -10.027 -6.101 1.00 64.43 C ATOM 359 O TYR A 26 5.249 -9.177 -6.988 1.00 40.11 O ATOM 360 CB TYR A 26 4.009 -12.131 -6.393 1.00 21.32 C ATOM 361 CG TYR A 26 3.103 -13.142 -5.728 1.00 32.43 C ATOM 362 CD1 TYR A 26 3.559 -13.927 -4.676 1.00 35.41 C ATOM 363 CD2 TYR A 26 1.790 -13.312 -6.151 1.00 1.12 C ATOM 364 CE1 TYR A 26 2.734 -14.853 -4.066 1.00 1.10 C ATOM 365 CE2 TYR A 26 0.958 -14.234 -5.546 1.00 1.03 C ATOM 366 CZ TYR A 26 1.435 -15.002 -4.504 1.00 72.42 C ATOM 367 OH TYR A 26 0.610 -15.922 -3.898 1.00 70.23 O ATOM 0 H TYR A 26 2.963 -9.303 -6.571 1.00 23.44 H new ATOM 0 HA TYR A 26 4.195 -11.002 -4.575 1.00 12.30 H new ATOM 0 HB2 TYR A 26 3.649 -11.943 -7.405 1.00 21.32 H new ATOM 0 HB3 TYR A 26 5.009 -12.556 -6.484 1.00 21.32 H new ATOM 0 HD1 TYR A 26 4.575 -13.812 -4.329 1.00 35.41 H new ATOM 0 HD2 TYR A 26 1.414 -12.713 -6.967 1.00 1.12 H new ATOM 0 HE1 TYR A 26 3.105 -15.457 -3.251 1.00 1.10 H new ATOM 0 HE2 TYR A 26 -0.060 -14.353 -5.887 1.00 1.03 H new ATOM 0 HH TYR A 26 -0.272 -15.901 -4.324 1.00 70.23 H new ATOM 377 N CYS A 27 6.472 -10.329 -5.491 1.00 51.34 N ATOM 378 CA CYS A 27 7.722 -9.663 -5.836 1.00 4.12 C ATOM 379 C CYS A 27 8.615 -10.579 -6.668 1.00 50.12 C ATOM 380 O CYS A 27 8.683 -11.783 -6.426 1.00 24.43 O ATOM 381 CB CYS A 27 8.460 -9.229 -4.567 1.00 73.43 C ATOM 382 SG CYS A 27 7.374 -8.550 -3.272 1.00 2.32 S ATOM 0 H CYS A 27 6.557 -11.031 -4.756 1.00 51.34 H new ATOM 0 HA CYS A 27 7.483 -8.781 -6.430 1.00 4.12 H new ATOM 0 HB2 CYS A 27 8.999 -10.085 -4.162 1.00 73.43 H new ATOM 0 HB3 CYS A 27 9.205 -8.479 -4.831 1.00 73.43 H new ATOM 387 N MET A 28 9.297 -9.998 -7.650 1.00 22.30 N ATOM 388 CA MET A 28 10.187 -10.762 -8.517 1.00 53.13 C ATOM 389 C MET A 28 11.616 -10.238 -8.426 1.00 64.04 C ATOM 390 O MET A 28 11.841 -9.033 -8.303 1.00 20.53 O ATOM 391 CB MET A 28 9.699 -10.699 -9.966 1.00 42.21 C ATOM 392 CG MET A 28 10.581 -11.466 -10.938 1.00 32.31 C ATOM 393 SD MET A 28 10.390 -10.905 -12.641 1.00 35.42 S ATOM 394 CE MET A 28 9.569 -12.319 -13.373 1.00 20.42 C ATOM 0 H MET A 28 9.250 -9.002 -7.865 1.00 22.30 H new ATOM 0 HA MET A 28 10.178 -11.799 -8.183 1.00 53.13 H new ATOM 0 HB2 MET A 28 8.685 -11.096 -10.017 1.00 42.21 H new ATOM 0 HB3 MET A 28 9.649 -9.656 -10.279 1.00 42.21 H new ATOM 0 HG2 MET A 28 11.624 -11.358 -10.639 1.00 32.31 H new ATOM 0 HG3 MET A 28 10.341 -12.528 -10.880 1.00 32.31 H new ATOM 0 HE1 MET A 28 9.382 -12.125 -14.429 1.00 20.42 H new ATOM 0 HE2 MET A 28 10.203 -13.200 -13.273 1.00 20.42 H new ATOM 0 HE3 MET A 28 8.622 -12.494 -12.863 1.00 20.42 H new ATOM 404 N THR A 29 12.582 -11.150 -8.488 1.00 35.40 N ATOM 405 CA THR A 29 13.989 -10.780 -8.411 1.00 61.40 C ATOM 406 C THR A 29 14.844 -11.684 -9.292 1.00 21.55 C ATOM 407 O THR A 29 15.006 -12.872 -9.009 1.00 34.20 O ATOM 408 CB THR A 29 14.510 -10.851 -6.963 1.00 62.12 C ATOM 409 OG1 THR A 29 13.726 -10.002 -6.118 1.00 41.53 O ATOM 410 CG2 THR A 29 15.972 -10.435 -6.893 1.00 72.13 C ATOM 0 H THR A 29 12.415 -12.151 -8.591 1.00 35.40 H new ATOM 0 HA THR A 29 14.066 -9.753 -8.767 1.00 61.40 H new ATOM 0 HB THR A 29 14.425 -11.882 -6.620 1.00 62.12 H new ATOM 0 HG1 THR A 29 13.182 -10.552 -5.516 1.00 41.53 H new ATOM 0 HG21 THR A 29 16.318 -10.493 -5.861 1.00 72.13 H new ATOM 0 HG22 THR A 29 16.570 -11.102 -7.514 1.00 72.13 H new ATOM 0 HG23 THR A 29 16.077 -9.412 -7.254 1.00 72.13 H new ATOM 418 N THR A 30 15.392 -11.115 -10.361 1.00 32.30 N ATOM 419 CA THR A 30 16.230 -11.870 -11.283 1.00 64.14 C ATOM 420 C THR A 30 17.682 -11.411 -11.208 1.00 21.11 C ATOM 421 O THR A 30 18.046 -10.376 -11.767 1.00 34.23 O ATOM 422 CB THR A 30 15.735 -11.731 -12.735 1.00 72.03 C ATOM 423 OG1 THR A 30 14.346 -12.072 -12.814 1.00 2.43 O ATOM 424 CG2 THR A 30 16.535 -12.627 -13.668 1.00 44.14 C ATOM 0 H THR A 30 15.270 -10.133 -10.609 1.00 32.30 H new ATOM 0 HA THR A 30 16.166 -12.916 -10.983 1.00 64.14 H new ATOM 0 HB THR A 30 15.873 -10.695 -13.044 1.00 72.03 H new ATOM 0 HG1 THR A 30 14.039 -11.979 -13.740 1.00 2.43 H new ATOM 0 HG21 THR A 30 16.167 -12.512 -14.688 1.00 44.14 H new ATOM 0 HG22 THR A 30 17.588 -12.346 -13.628 1.00 44.14 H new ATOM 0 HG23 THR A 30 16.425 -13.666 -13.358 1.00 44.14 H new ATOM 432 N ARG A 31 18.508 -12.188 -10.514 1.00 51.41 N ATOM 433 CA ARG A 31 19.921 -11.860 -10.365 1.00 53.25 C ATOM 434 C ARG A 31 20.766 -12.622 -11.382 1.00 54.02 C ATOM 435 O ARG A 31 21.018 -13.817 -11.225 1.00 60.13 O ATOM 436 CB ARG A 31 20.395 -12.183 -8.947 1.00 72.55 C ATOM 437 CG ARG A 31 19.934 -13.542 -8.446 1.00 75.34 C ATOM 438 CD ARG A 31 20.504 -13.852 -7.071 1.00 14.31 C ATOM 439 NE ARG A 31 19.788 -13.147 -6.011 1.00 10.13 N ATOM 440 CZ ARG A 31 19.855 -13.486 -4.728 1.00 1.40 C ATOM 441 NH1 ARG A 31 20.602 -14.513 -4.348 1.00 71.34 N ATOM 442 NH2 ARG A 31 19.175 -12.795 -3.822 1.00 33.22 N ATOM 0 H ARG A 31 18.223 -13.049 -10.046 1.00 51.41 H new ATOM 0 HA ARG A 31 20.041 -10.792 -10.546 1.00 53.25 H new ATOM 0 HB2 ARG A 31 21.484 -12.145 -8.919 1.00 72.55 H new ATOM 0 HB3 ARG A 31 20.032 -11.412 -8.267 1.00 72.55 H new ATOM 0 HG2 ARG A 31 18.845 -13.565 -8.403 1.00 75.34 H new ATOM 0 HG3 ARG A 31 20.242 -14.314 -9.151 1.00 75.34 H new ATOM 0 HD2 ARG A 31 20.453 -14.926 -6.891 1.00 14.31 H new ATOM 0 HD3 ARG A 31 21.558 -13.574 -7.044 1.00 14.31 H new ATOM 0 HE ARG A 31 19.205 -12.351 -6.270 1.00 10.13 H new ATOM 0 HH11 ARG A 31 21.128 -15.046 -5.041 1.00 71.34 H new ATOM 0 HH12 ARG A 31 20.651 -14.771 -3.362 1.00 71.34 H new ATOM 0 HH21 ARG A 31 18.600 -12.003 -4.110 1.00 33.22 H new ATOM 0 HH22 ARG A 31 19.227 -13.056 -2.837 1.00 33.22 H new ATOM 456 N THR A 32 21.200 -11.923 -12.426 1.00 2.40 N ATOM 457 CA THR A 32 22.015 -12.533 -13.469 1.00 52.21 C ATOM 458 C THR A 32 23.496 -12.477 -13.113 1.00 70.41 C ATOM 459 O THR A 32 23.994 -11.453 -12.645 1.00 60.14 O ATOM 460 CB THR A 32 21.799 -11.840 -14.828 1.00 32.11 C ATOM 461 OG1 THR A 32 20.429 -11.963 -15.228 1.00 64.12 O ATOM 462 CG2 THR A 32 22.700 -12.445 -15.893 1.00 63.42 C ATOM 0 H THR A 32 21.000 -10.933 -12.572 1.00 2.40 H new ATOM 0 HA THR A 32 21.702 -13.574 -13.546 1.00 52.21 H new ATOM 0 HB THR A 32 22.052 -10.785 -14.718 1.00 32.11 H new ATOM 0 HG1 THR A 32 20.196 -12.911 -15.309 1.00 64.12 H new ATOM 0 HG21 THR A 32 22.530 -11.940 -16.844 1.00 63.42 H new ATOM 0 HG22 THR A 32 23.743 -12.324 -15.599 1.00 63.42 H new ATOM 0 HG23 THR A 32 22.474 -13.506 -16.001 1.00 63.42 H new ATOM 470 N TYR A 33 24.195 -13.584 -13.338 1.00 23.12 N ATOM 471 CA TYR A 33 25.620 -13.662 -13.039 1.00 3.32 C ATOM 472 C TYR A 33 26.448 -13.629 -14.320 1.00 23.32 C ATOM 473 O TYR A 33 26.418 -14.568 -15.116 1.00 54.33 O ATOM 474 CB TYR A 33 25.929 -14.936 -12.251 1.00 52.00 C ATOM 475 CG TYR A 33 25.130 -15.067 -10.974 1.00 11.20 C ATOM 476 CD1 TYR A 33 25.322 -14.185 -9.917 1.00 62.34 C ATOM 477 CD2 TYR A 33 24.182 -16.072 -10.825 1.00 12.45 C ATOM 478 CE1 TYR A 33 24.595 -14.302 -8.749 1.00 1.33 C ATOM 479 CE2 TYR A 33 23.449 -16.195 -9.660 1.00 10.41 C ATOM 480 CZ TYR A 33 23.660 -15.308 -8.625 1.00 14.32 C ATOM 481 OH TYR A 33 22.932 -15.426 -7.463 1.00 22.13 O ATOM 0 H TYR A 33 23.798 -14.440 -13.726 1.00 23.12 H new ATOM 0 HA TYR A 33 25.886 -12.796 -12.434 1.00 3.32 H new ATOM 0 HB2 TYR A 33 25.731 -15.801 -12.884 1.00 52.00 H new ATOM 0 HB3 TYR A 33 26.991 -14.954 -12.008 1.00 52.00 H new ATOM 0 HD1 TYR A 33 26.052 -13.395 -10.011 1.00 62.34 H new ATOM 0 HD2 TYR A 33 24.015 -16.769 -11.633 1.00 12.45 H new ATOM 0 HE1 TYR A 33 24.758 -13.609 -7.937 1.00 1.33 H new ATOM 0 HE2 TYR A 33 22.715 -16.981 -9.560 1.00 10.41 H new ATOM 0 HH TYR A 33 22.316 -16.185 -7.538 1.00 22.13 H new ATOM 491 N TYR A 34 27.188 -12.543 -14.511 1.00 0.33 N ATOM 492 CA TYR A 34 28.024 -12.385 -15.695 1.00 72.41 C ATOM 493 C TYR A 34 29.472 -12.759 -15.394 1.00 32.24 C ATOM 494 O TYR A 34 29.919 -13.864 -15.703 1.00 75.34 O ATOM 495 CB TYR A 34 27.953 -10.946 -16.207 1.00 41.24 C ATOM 496 CG TYR A 34 26.869 -10.722 -17.238 1.00 23.33 C ATOM 497 CD1 TYR A 34 25.544 -10.557 -16.855 1.00 53.43 C ATOM 498 CD2 TYR A 34 27.170 -10.678 -18.593 1.00 43.23 C ATOM 499 CE1 TYR A 34 24.550 -10.353 -17.793 1.00 11.20 C ATOM 500 CE2 TYR A 34 26.183 -10.473 -19.538 1.00 23.12 C ATOM 501 CZ TYR A 34 24.875 -10.311 -19.133 1.00 33.32 C ATOM 502 OH TYR A 34 23.888 -10.109 -20.071 1.00 4.42 O ATOM 0 H TYR A 34 27.226 -11.758 -13.861 1.00 0.33 H new ATOM 0 HA TYR A 34 27.647 -13.057 -16.466 1.00 72.41 H new ATOM 0 HB2 TYR A 34 27.784 -10.277 -15.363 1.00 41.24 H new ATOM 0 HB3 TYR A 34 28.916 -10.676 -16.640 1.00 41.24 H new ATOM 0 HD1 TYR A 34 25.286 -10.589 -15.807 1.00 53.43 H new ATOM 0 HD2 TYR A 34 28.193 -10.806 -18.914 1.00 43.23 H new ATOM 0 HE1 TYR A 34 23.524 -10.227 -17.479 1.00 11.20 H new ATOM 0 HE2 TYR A 34 26.435 -10.440 -20.588 1.00 23.12 H new ATOM 0 HH TYR A 34 24.284 -10.105 -20.967 1.00 4.42 H new ATOM 512 N THR A 35 30.202 -11.829 -14.786 1.00 21.33 N ATOM 513 CA THR A 35 31.600 -12.059 -14.442 1.00 14.22 C ATOM 514 C THR A 35 31.793 -12.109 -12.931 1.00 32.15 C ATOM 515 O THR A 35 30.951 -11.652 -12.157 1.00 75.53 O ATOM 516 CB THR A 35 32.510 -10.963 -15.028 1.00 74.01 C ATOM 517 OG1 THR A 35 31.836 -9.700 -15.000 1.00 10.20 O ATOM 518 CG2 THR A 35 32.909 -11.299 -16.457 1.00 41.30 C ATOM 0 H THR A 35 29.848 -10.910 -14.522 1.00 21.33 H new ATOM 0 HA THR A 35 31.878 -13.021 -14.873 1.00 14.22 H new ATOM 0 HB THR A 35 33.412 -10.906 -14.419 1.00 74.01 H new ATOM 0 HG1 THR A 35 32.351 -9.043 -15.513 1.00 10.20 H new ATOM 0 HG21 THR A 35 33.551 -10.511 -16.850 1.00 41.30 H new ATOM 0 HG22 THR A 35 33.447 -12.247 -16.471 1.00 41.30 H new ATOM 0 HG23 THR A 35 32.015 -11.380 -17.075 1.00 41.30 H new ATOM 526 N PRO A 36 32.928 -12.676 -12.497 1.00 23.21 N ATOM 527 CA PRO A 36 33.259 -12.798 -11.074 1.00 61.20 C ATOM 528 C PRO A 36 33.573 -11.450 -10.434 1.00 73.11 C ATOM 529 O PRO A 36 33.807 -11.362 -9.228 1.00 63.53 O ATOM 530 CB PRO A 36 34.502 -13.692 -11.074 1.00 74.11 C ATOM 531 CG PRO A 36 35.119 -13.483 -12.414 1.00 34.12 C ATOM 532 CD PRO A 36 33.977 -13.242 -13.362 1.00 41.53 C ATOM 0 HA PRO A 36 32.427 -13.200 -10.496 1.00 61.20 H new ATOM 0 HB2 PRO A 36 35.189 -13.415 -10.274 1.00 74.11 H new ATOM 0 HB3 PRO A 36 34.237 -14.738 -10.919 1.00 74.11 H new ATOM 0 HG2 PRO A 36 35.802 -12.633 -12.401 1.00 34.12 H new ATOM 0 HG3 PRO A 36 35.700 -14.354 -12.716 1.00 34.12 H new ATOM 0 HD2 PRO A 36 34.255 -12.553 -14.159 1.00 41.53 H new ATOM 0 HD3 PRO A 36 33.649 -14.166 -13.839 1.00 41.53 H new ATOM 540 N THR A 37 33.575 -10.400 -11.249 1.00 0.51 N ATOM 541 CA THR A 37 33.860 -9.056 -10.762 1.00 45.34 C ATOM 542 C THR A 37 32.713 -8.103 -11.075 1.00 14.52 C ATOM 543 O THR A 37 32.705 -6.957 -10.625 1.00 12.35 O ATOM 544 CB THR A 37 35.157 -8.499 -11.379 1.00 45.30 C ATOM 545 OG1 THR A 37 35.209 -8.810 -12.776 1.00 30.13 O ATOM 546 CG2 THR A 37 36.380 -9.075 -10.680 1.00 52.04 C ATOM 0 H THR A 37 33.382 -10.454 -12.249 1.00 0.51 H new ATOM 0 HA THR A 37 33.982 -9.131 -9.681 1.00 45.34 H new ATOM 0 HB THR A 37 35.159 -7.417 -11.248 1.00 45.30 H new ATOM 0 HG1 THR A 37 36.036 -8.451 -13.161 1.00 30.13 H new ATOM 0 HG21 THR A 37 37.284 -8.667 -11.133 1.00 52.04 H new ATOM 0 HG22 THR A 37 36.353 -8.811 -9.623 1.00 52.04 H new ATOM 0 HG23 THR A 37 36.381 -10.160 -10.783 1.00 52.04 H new ATOM 554 N ARG A 38 31.744 -8.583 -11.848 1.00 21.14 N ATOM 555 CA ARG A 38 30.591 -7.773 -12.220 1.00 50.34 C ATOM 556 C ARG A 38 29.339 -8.635 -12.348 1.00 33.21 C ATOM 557 O ARG A 38 29.393 -9.754 -12.857 1.00 22.31 O ATOM 558 CB ARG A 38 30.858 -7.044 -13.539 1.00 13.13 C ATOM 559 CG ARG A 38 31.460 -5.660 -13.359 1.00 24.34 C ATOM 560 CD ARG A 38 30.383 -4.600 -13.198 1.00 14.32 C ATOM 561 NE ARG A 38 29.591 -4.436 -14.414 1.00 15.52 N ATOM 562 CZ ARG A 38 30.054 -3.868 -15.522 1.00 22.22 C ATOM 563 NH1 ARG A 38 31.299 -3.414 -15.567 1.00 12.40 N ATOM 564 NH2 ARG A 38 29.272 -3.755 -16.588 1.00 23.11 N ATOM 0 H ARG A 38 31.735 -9.529 -12.229 1.00 21.14 H new ATOM 0 HA ARG A 38 30.426 -7.038 -11.432 1.00 50.34 H new ATOM 0 HB2 ARG A 38 31.531 -7.647 -14.148 1.00 13.13 H new ATOM 0 HB3 ARG A 38 29.922 -6.955 -14.091 1.00 13.13 H new ATOM 0 HG2 ARG A 38 32.110 -5.656 -12.484 1.00 24.34 H new ATOM 0 HG3 ARG A 38 32.084 -5.419 -14.220 1.00 24.34 H new ATOM 0 HD2 ARG A 38 29.726 -4.873 -12.372 1.00 14.32 H new ATOM 0 HD3 ARG A 38 30.847 -3.649 -12.936 1.00 14.32 H new ATOM 0 HE ARG A 38 28.629 -4.776 -14.412 1.00 15.52 H new ATOM 0 HH11 ARG A 38 31.903 -3.501 -14.750 1.00 12.40 H new ATOM 0 HH12 ARG A 38 31.652 -2.978 -16.419 1.00 12.40 H new ATOM 0 HH21 ARG A 38 28.314 -4.104 -16.557 1.00 23.11 H new ATOM 0 HH22 ARG A 38 29.629 -3.319 -17.438 1.00 23.11 H new ATOM 578 N MET A 39 28.212 -8.106 -11.881 1.00 62.34 N ATOM 579 CA MET A 39 26.946 -8.828 -11.944 1.00 44.21 C ATOM 580 C MET A 39 25.790 -7.874 -12.225 1.00 41.54 C ATOM 581 O MET A 39 25.962 -6.654 -12.219 1.00 31.42 O ATOM 582 CB MET A 39 26.697 -9.578 -10.634 1.00 51.23 C ATOM 583 CG MET A 39 27.047 -8.770 -9.395 1.00 40.12 C ATOM 584 SD MET A 39 26.488 -9.556 -7.872 1.00 75.42 S ATOM 585 CE MET A 39 28.054 -9.934 -7.091 1.00 23.31 C ATOM 0 H MET A 39 28.150 -7.181 -11.455 1.00 62.34 H new ATOM 0 HA MET A 39 27.006 -9.548 -12.760 1.00 44.21 H new ATOM 0 HB2 MET A 39 25.647 -9.867 -10.584 1.00 51.23 H new ATOM 0 HB3 MET A 39 27.282 -10.498 -10.635 1.00 51.23 H new ATOM 0 HG2 MET A 39 28.127 -8.629 -9.351 1.00 40.12 H new ATOM 0 HG3 MET A 39 26.599 -7.779 -9.474 1.00 40.12 H new ATOM 0 HE1 MET A 39 27.874 -10.425 -6.135 1.00 23.31 H new ATOM 0 HE2 MET A 39 28.632 -10.596 -7.736 1.00 23.31 H new ATOM 0 HE3 MET A 39 28.610 -9.011 -6.926 1.00 23.31 H new ATOM 595 N LYS A 40 24.612 -8.436 -12.473 1.00 12.44 N ATOM 596 CA LYS A 40 23.426 -7.635 -12.755 1.00 62.45 C ATOM 597 C LYS A 40 22.222 -8.154 -11.976 1.00 55.53 C ATOM 598 O LYS A 40 22.031 -9.362 -11.840 1.00 73.10 O ATOM 599 CB LYS A 40 23.122 -7.650 -14.255 1.00 74.11 C ATOM 600 CG LYS A 40 24.191 -6.979 -15.100 1.00 21.14 C ATOM 601 CD LYS A 40 23.867 -7.065 -16.582 1.00 13.25 C ATOM 602 CE LYS A 40 22.658 -6.213 -16.938 1.00 33.43 C ATOM 603 NZ LYS A 40 22.933 -4.760 -16.766 1.00 40.02 N ATOM 0 H LYS A 40 24.453 -9.443 -12.485 1.00 12.44 H new ATOM 0 HA LYS A 40 23.625 -6.611 -12.441 1.00 62.45 H new ATOM 0 HB2 LYS A 40 23.007 -8.683 -14.583 1.00 74.11 H new ATOM 0 HB3 LYS A 40 22.168 -7.152 -14.429 1.00 74.11 H new ATOM 0 HG2 LYS A 40 24.284 -5.933 -14.807 1.00 21.14 H new ATOM 0 HG3 LYS A 40 25.155 -7.450 -14.910 1.00 21.14 H new ATOM 0 HD2 LYS A 40 24.729 -6.737 -17.164 1.00 13.25 H new ATOM 0 HD3 LYS A 40 23.675 -8.103 -16.854 1.00 13.25 H new ATOM 0 HE2 LYS A 40 22.368 -6.408 -17.970 1.00 33.43 H new ATOM 0 HE3 LYS A 40 21.814 -6.500 -16.310 1.00 33.43 H new ATOM 0 HZ1 LYS A 40 22.178 -4.208 -17.220 1.00 40.02 H new ATOM 0 HZ2 LYS A 40 22.968 -4.531 -15.752 1.00 40.02 H new ATOM 0 HZ3 LYS A 40 23.846 -4.525 -17.206 1.00 40.02 H new ATOM 617 N VAL A 41 21.410 -7.232 -11.468 1.00 2.53 N ATOM 618 CA VAL A 41 20.222 -7.595 -10.705 1.00 24.55 C ATOM 619 C VAL A 41 19.006 -6.804 -11.171 1.00 33.21 C ATOM 620 O VAL A 41 19.123 -5.650 -11.583 1.00 65.31 O ATOM 621 CB VAL A 41 20.429 -7.357 -9.197 1.00 21.11 C ATOM 622 CG1 VAL A 41 20.416 -5.868 -8.885 1.00 23.41 C ATOM 623 CG2 VAL A 41 19.366 -8.088 -8.392 1.00 34.14 C ATOM 0 H VAL A 41 21.554 -6.227 -11.571 1.00 2.53 H new ATOM 0 HA VAL A 41 20.048 -8.657 -10.877 1.00 24.55 H new ATOM 0 HB VAL A 41 21.404 -7.755 -8.914 1.00 21.11 H new ATOM 0 HG11 VAL A 41 20.564 -5.719 -7.815 1.00 23.41 H new ATOM 0 HG12 VAL A 41 21.218 -5.374 -9.434 1.00 23.41 H new ATOM 0 HG13 VAL A 41 19.457 -5.442 -9.182 1.00 23.41 H new ATOM 0 HG21 VAL A 41 19.527 -7.909 -7.329 1.00 34.14 H new ATOM 0 HG22 VAL A 41 18.379 -7.722 -8.676 1.00 34.14 H new ATOM 0 HG23 VAL A 41 19.428 -9.157 -8.593 1.00 34.14 H new ATOM 633 N SER A 42 17.836 -7.432 -11.102 1.00 63.45 N ATOM 634 CA SER A 42 16.597 -6.788 -11.521 1.00 32.10 C ATOM 635 C SER A 42 15.441 -7.190 -10.610 1.00 2.15 C ATOM 636 O SER A 42 15.213 -8.374 -10.361 1.00 41.01 O ATOM 637 CB SER A 42 16.270 -7.156 -12.970 1.00 2.53 C ATOM 638 OG SER A 42 16.727 -8.461 -13.280 1.00 51.43 O ATOM 0 H SER A 42 17.721 -8.386 -10.760 1.00 63.45 H new ATOM 0 HA SER A 42 16.736 -5.709 -11.450 1.00 32.10 H new ATOM 0 HB2 SER A 42 15.193 -7.097 -13.129 1.00 2.53 H new ATOM 0 HB3 SER A 42 16.732 -6.435 -13.645 1.00 2.53 H new ATOM 0 HG SER A 42 16.505 -8.673 -14.211 1.00 51.43 H new ATOM 644 N LYS A 43 14.714 -6.195 -10.113 1.00 51.34 N ATOM 645 CA LYS A 43 13.580 -6.441 -9.230 1.00 63.31 C ATOM 646 C LYS A 43 12.388 -5.573 -9.620 1.00 20.42 C ATOM 647 O LYS A 43 12.548 -4.407 -9.979 1.00 3.14 O ATOM 648 CB LYS A 43 13.971 -6.167 -7.776 1.00 41.42 C ATOM 649 CG LYS A 43 15.009 -7.133 -7.232 1.00 74.42 C ATOM 650 CD LYS A 43 15.957 -6.447 -6.264 1.00 0.33 C ATOM 651 CE LYS A 43 17.179 -5.892 -6.979 1.00 50.35 C ATOM 652 NZ LYS A 43 18.365 -5.826 -6.082 1.00 24.12 N ATOM 0 H LYS A 43 14.890 -5.209 -10.307 1.00 51.34 H new ATOM 0 HA LYS A 43 13.293 -7.488 -9.331 1.00 63.31 H new ATOM 0 HB2 LYS A 43 14.357 -5.151 -7.698 1.00 41.42 H new ATOM 0 HB3 LYS A 43 13.078 -6.218 -7.153 1.00 41.42 H new ATOM 0 HG2 LYS A 43 14.509 -7.960 -6.728 1.00 74.42 H new ATOM 0 HG3 LYS A 43 15.578 -7.560 -8.058 1.00 74.42 H new ATOM 0 HD2 LYS A 43 15.435 -5.638 -5.753 1.00 0.33 H new ATOM 0 HD3 LYS A 43 16.273 -7.156 -5.499 1.00 0.33 H new ATOM 0 HE2 LYS A 43 17.410 -6.518 -7.841 1.00 50.35 H new ATOM 0 HE3 LYS A 43 16.956 -4.895 -7.359 1.00 50.35 H new ATOM 0 HZ1 LYS A 43 19.210 -5.589 -6.640 1.00 24.12 H new ATOM 0 HZ2 LYS A 43 18.212 -5.095 -5.358 1.00 24.12 H new ATOM 0 HZ3 LYS A 43 18.503 -6.748 -5.620 1.00 24.12 H new ATOM 666 N SER A 44 11.193 -6.150 -9.545 1.00 53.13 N ATOM 667 CA SER A 44 9.973 -5.429 -9.893 1.00 25.34 C ATOM 668 C SER A 44 8.743 -6.155 -9.357 1.00 54.54 C ATOM 669 O SER A 44 8.844 -7.250 -8.805 1.00 24.15 O ATOM 670 CB SER A 44 9.865 -5.269 -11.410 1.00 63.13 C ATOM 671 OG SER A 44 9.999 -6.518 -12.066 1.00 30.33 O ATOM 0 H SER A 44 11.043 -7.114 -9.247 1.00 53.13 H new ATOM 0 HA SER A 44 10.020 -4.441 -9.434 1.00 25.34 H new ATOM 0 HB2 SER A 44 8.904 -4.823 -11.664 1.00 63.13 H new ATOM 0 HB3 SER A 44 10.637 -4.585 -11.762 1.00 63.13 H new ATOM 0 HG SER A 44 9.925 -6.388 -13.035 1.00 30.33 H new ATOM 677 N CYS A 45 7.579 -5.535 -9.526 1.00 21.24 N ATOM 678 CA CYS A 45 6.327 -6.119 -9.060 1.00 20.11 C ATOM 679 C CYS A 45 5.626 -6.872 -10.187 1.00 32.12 C ATOM 680 O CYS A 45 5.374 -6.317 -11.257 1.00 25.23 O ATOM 681 CB CYS A 45 5.405 -5.029 -8.509 1.00 63.13 C ATOM 682 SG CYS A 45 5.610 -4.712 -6.727 1.00 64.41 S ATOM 0 H CYS A 45 7.477 -4.628 -9.982 1.00 21.24 H new ATOM 0 HA CYS A 45 6.559 -6.826 -8.263 1.00 20.11 H new ATOM 0 HB2 CYS A 45 5.588 -4.103 -9.055 1.00 63.13 H new ATOM 0 HB3 CYS A 45 4.370 -5.313 -8.700 1.00 63.13 H new ATOM 687 N VAL A 46 5.312 -8.140 -9.938 1.00 40.35 N ATOM 688 CA VAL A 46 4.639 -8.969 -10.931 1.00 34.14 C ATOM 689 C VAL A 46 3.506 -9.771 -10.299 1.00 63.22 C ATOM 690 O VAL A 46 3.531 -10.099 -9.113 1.00 22.42 O ATOM 691 CB VAL A 46 5.622 -9.939 -11.612 1.00 61.01 C ATOM 692 CG1 VAL A 46 6.735 -9.170 -12.307 1.00 25.11 C ATOM 693 CG2 VAL A 46 6.192 -10.919 -10.598 1.00 2.02 C ATOM 0 H VAL A 46 5.513 -8.615 -9.058 1.00 40.35 H new ATOM 0 HA VAL A 46 4.228 -8.294 -11.682 1.00 34.14 H new ATOM 0 HB VAL A 46 5.080 -10.508 -12.367 1.00 61.01 H new ATOM 0 HG11 VAL A 46 7.420 -9.872 -12.783 1.00 25.11 H new ATOM 0 HG12 VAL A 46 6.306 -8.513 -13.063 1.00 25.11 H new ATOM 0 HG13 VAL A 46 7.278 -8.573 -11.574 1.00 25.11 H new ATOM 0 HG21 VAL A 46 6.885 -11.597 -11.097 1.00 2.02 H new ATOM 0 HG22 VAL A 46 6.720 -10.370 -9.818 1.00 2.02 H new ATOM 0 HG23 VAL A 46 5.381 -11.493 -10.151 1.00 2.02 H new ATOM 703 N PRO A 47 2.488 -10.096 -11.109 1.00 51.04 N ATOM 704 CA PRO A 47 1.327 -10.865 -10.652 1.00 73.01 C ATOM 705 C PRO A 47 1.677 -12.318 -10.348 1.00 53.32 C ATOM 706 O PRO A 47 1.287 -12.856 -9.312 1.00 21.12 O ATOM 707 CB PRO A 47 0.359 -10.784 -11.836 1.00 24.43 C ATOM 708 CG PRO A 47 1.231 -10.560 -13.023 1.00 1.22 C ATOM 709 CD PRO A 47 2.392 -9.738 -12.535 1.00 11.15 C ATOM 0 HA PRO A 47 0.918 -10.471 -9.722 1.00 73.01 H new ATOM 0 HB2 PRO A 47 -0.220 -11.702 -11.938 1.00 24.43 H new ATOM 0 HB3 PRO A 47 -0.354 -9.970 -11.709 1.00 24.43 H new ATOM 0 HG2 PRO A 47 1.572 -11.507 -13.441 1.00 1.22 H new ATOM 0 HG3 PRO A 47 0.689 -10.040 -13.813 1.00 1.22 H new ATOM 0 HD2 PRO A 47 3.309 -9.979 -13.072 1.00 11.15 H new ATOM 0 HD3 PRO A 47 2.214 -8.671 -12.670 1.00 11.15 H new ATOM 717 N ARG A 48 2.414 -12.947 -11.258 1.00 0.44 N ATOM 718 CA ARG A 48 2.816 -14.338 -11.086 1.00 53.44 C ATOM 719 C ARG A 48 4.291 -14.523 -11.428 1.00 23.33 C ATOM 720 O ARG A 48 4.720 -14.247 -12.549 1.00 10.15 O ATOM 721 CB ARG A 48 1.959 -15.250 -11.966 1.00 60.11 C ATOM 722 CG ARG A 48 0.574 -15.517 -11.400 1.00 11.42 C ATOM 723 CD ARG A 48 -0.033 -16.782 -11.985 1.00 71.11 C ATOM 724 NE ARG A 48 -1.422 -16.964 -11.572 1.00 71.53 N ATOM 725 CZ ARG A 48 -2.080 -18.112 -11.694 1.00 54.21 C ATOM 726 NH1 ARG A 48 -1.479 -19.173 -12.214 1.00 21.14 N ATOM 727 NH2 ARG A 48 -3.343 -18.199 -11.295 1.00 61.33 N ATOM 0 H ARG A 48 2.745 -12.516 -12.121 1.00 0.44 H new ATOM 0 HA ARG A 48 2.667 -14.608 -10.040 1.00 53.44 H new ATOM 0 HB2 ARG A 48 1.858 -14.798 -12.953 1.00 60.11 H new ATOM 0 HB3 ARG A 48 2.476 -16.200 -12.102 1.00 60.11 H new ATOM 0 HG2 ARG A 48 0.635 -15.609 -10.316 1.00 11.42 H new ATOM 0 HG3 ARG A 48 -0.077 -14.668 -11.612 1.00 11.42 H new ATOM 0 HD2 ARG A 48 0.019 -16.740 -13.073 1.00 71.11 H new ATOM 0 HD3 ARG A 48 0.555 -17.645 -11.671 1.00 71.11 H new ATOM 0 HE ARG A 48 -1.914 -16.167 -11.168 1.00 71.53 H new ATOM 0 HH11 ARG A 48 -0.509 -19.110 -12.522 1.00 21.14 H new ATOM 0 HH12 ARG A 48 -1.987 -20.053 -12.306 1.00 21.14 H new ATOM 0 HH21 ARG A 48 -3.809 -17.385 -10.895 1.00 61.33 H new ATOM 0 HH22 ARG A 48 -3.848 -19.080 -11.389 1.00 61.33 H new ATOM 741 N CYS A 49 5.064 -14.993 -10.454 1.00 10.31 N ATOM 742 CA CYS A 49 6.492 -15.215 -10.649 1.00 55.25 C ATOM 743 C CYS A 49 6.851 -16.680 -10.420 1.00 34.02 C ATOM 744 O CYS A 49 6.628 -17.223 -9.337 1.00 43.42 O ATOM 745 CB CYS A 49 7.301 -14.326 -9.704 1.00 5.41 C ATOM 746 SG CYS A 49 9.087 -14.686 -9.692 1.00 2.41 S ATOM 0 H CYS A 49 4.725 -15.228 -9.521 1.00 10.31 H new ATOM 0 HA CYS A 49 6.737 -14.956 -11.679 1.00 55.25 H new ATOM 0 HB2 CYS A 49 7.153 -13.284 -9.987 1.00 5.41 H new ATOM 0 HB3 CYS A 49 6.911 -14.440 -8.692 1.00 5.41 H new ATOM 937 N SER A 62 21.174 -17.247 -13.867 1.00 23.54 N ATOM 938 CA SER A 62 20.263 -16.282 -13.264 1.00 33.01 C ATOM 939 C SER A 62 19.272 -16.977 -12.335 1.00 52.01 C ATOM 940 O SER A 62 18.700 -18.012 -12.679 1.00 61.13 O ATOM 941 CB SER A 62 19.508 -15.514 -14.351 1.00 1.03 C ATOM 942 OG SER A 62 20.382 -14.669 -15.078 1.00 43.23 O ATOM 0 HA SER A 62 20.854 -15.580 -12.676 1.00 33.01 H new ATOM 0 HB2 SER A 62 19.028 -16.218 -15.031 1.00 1.03 H new ATOM 0 HB3 SER A 62 18.716 -14.919 -13.897 1.00 1.03 H new ATOM 0 HG SER A 62 21.271 -15.080 -15.124 1.00 43.23 H new ATOM 948 N THR A 63 19.073 -16.400 -11.154 1.00 34.11 N ATOM 949 CA THR A 63 18.152 -16.963 -10.174 1.00 5.01 C ATOM 950 C THR A 63 16.937 -16.063 -9.980 1.00 63.24 C ATOM 951 O THR A 63 17.062 -14.919 -9.543 1.00 51.54 O ATOM 952 CB THR A 63 18.842 -17.175 -8.813 1.00 10.11 C ATOM 953 OG1 THR A 63 20.043 -17.936 -8.985 1.00 52.33 O ATOM 954 CG2 THR A 63 17.916 -17.893 -7.843 1.00 13.10 C ATOM 0 H THR A 63 19.537 -15.543 -10.853 1.00 34.11 H new ATOM 0 HA THR A 63 17.827 -17.928 -10.563 1.00 5.01 H new ATOM 0 HB THR A 63 19.088 -16.197 -8.400 1.00 10.11 H new ATOM 0 HG1 THR A 63 20.476 -18.065 -8.115 1.00 52.33 H new ATOM 0 HG21 THR A 63 18.425 -18.031 -6.889 1.00 13.10 H new ATOM 0 HG22 THR A 63 17.016 -17.297 -7.691 1.00 13.10 H new ATOM 0 HG23 THR A 63 17.643 -18.865 -8.253 1.00 13.10 H new ATOM 962 N THR A 64 15.760 -16.587 -10.308 1.00 22.42 N ATOM 963 CA THR A 64 14.522 -15.831 -10.170 1.00 70.35 C ATOM 964 C THR A 64 13.842 -16.127 -8.839 1.00 30.14 C ATOM 965 O THR A 64 13.279 -17.204 -8.644 1.00 20.30 O ATOM 966 CB THR A 64 13.541 -16.146 -11.316 1.00 23.33 C ATOM 967 OG1 THR A 64 14.259 -16.306 -12.545 1.00 35.53 O ATOM 968 CG2 THR A 64 12.510 -15.038 -11.465 1.00 71.23 C ATOM 0 H THR A 64 15.639 -17.532 -10.671 1.00 22.42 H new ATOM 0 HA THR A 64 14.790 -14.775 -10.211 1.00 70.35 H new ATOM 0 HB THR A 64 13.021 -17.074 -11.076 1.00 23.33 H new ATOM 0 HG1 THR A 64 13.629 -16.508 -13.268 1.00 35.53 H new ATOM 0 HG21 THR A 64 11.829 -15.282 -12.280 1.00 71.23 H new ATOM 0 HG22 THR A 64 11.946 -14.939 -10.538 1.00 71.23 H new ATOM 0 HG23 THR A 64 13.016 -14.098 -11.685 1.00 71.23 H new ATOM 976 N SER A 65 13.897 -15.164 -7.924 1.00 42.23 N ATOM 977 CA SER A 65 13.289 -15.323 -6.609 1.00 12.23 C ATOM 978 C SER A 65 11.908 -14.675 -6.567 1.00 20.21 C ATOM 979 O SER A 65 11.719 -13.558 -7.048 1.00 54.31 O ATOM 980 CB SER A 65 14.185 -14.709 -5.531 1.00 62.24 C ATOM 981 OG SER A 65 15.450 -15.347 -5.496 1.00 71.40 O ATOM 0 H SER A 65 14.357 -14.265 -8.070 1.00 42.23 H new ATOM 0 HA SER A 65 13.178 -16.390 -6.415 1.00 12.23 H new ATOM 0 HB2 SER A 65 14.316 -13.645 -5.725 1.00 62.24 H new ATOM 0 HB3 SER A 65 13.702 -14.798 -4.558 1.00 62.24 H new ATOM 0 HG SER A 65 16.005 -14.936 -4.801 1.00 71.40 H new ATOM 987 N CYS A 66 10.946 -15.386 -5.988 1.00 13.50 N ATOM 988 CA CYS A 66 9.581 -14.883 -5.882 1.00 44.44 C ATOM 989 C CYS A 66 9.083 -14.959 -4.442 1.00 5.10 C ATOM 990 O CYS A 66 9.303 -15.953 -3.749 1.00 41.02 O ATOM 991 CB CYS A 66 8.650 -15.679 -6.798 1.00 52.25 C ATOM 992 SG CYS A 66 9.397 -16.148 -8.392 1.00 61.51 S ATOM 0 H CYS A 66 11.086 -16.312 -5.585 1.00 13.50 H new ATOM 0 HA CYS A 66 9.580 -13.838 -6.193 1.00 44.44 H new ATOM 0 HB2 CYS A 66 8.332 -16.583 -6.278 1.00 52.25 H new ATOM 0 HB3 CYS A 66 7.754 -15.089 -6.989 1.00 52.25 H new ATOM 997 N CYS A 67 8.412 -13.902 -3.997 1.00 74.25 N ATOM 998 CA CYS A 67 7.882 -13.848 -2.640 1.00 51.43 C ATOM 999 C CYS A 67 6.627 -12.981 -2.580 1.00 61.45 C ATOM 1000 O CYS A 67 6.217 -12.396 -3.583 1.00 21.44 O ATOM 1001 CB CYS A 67 8.939 -13.300 -1.679 1.00 62.15 C ATOM 1002 SG CYS A 67 10.001 -12.008 -2.401 1.00 4.22 S ATOM 0 H CYS A 67 8.222 -13.071 -4.557 1.00 74.25 H new ATOM 0 HA CYS A 67 7.617 -14.862 -2.340 1.00 51.43 H new ATOM 0 HB2 CYS A 67 8.440 -12.895 -0.799 1.00 62.15 H new ATOM 0 HB3 CYS A 67 9.567 -14.123 -1.339 1.00 62.15 H new ATOM 1007 N GLN A 68 6.023 -12.905 -1.399 1.00 3.01 N ATOM 1008 CA GLN A 68 4.815 -12.111 -1.209 1.00 3.22 C ATOM 1009 C GLN A 68 4.927 -11.240 0.038 1.00 1.22 C ATOM 1010 O GLN A 68 3.939 -10.668 0.499 1.00 52.02 O ATOM 1011 CB GLN A 68 3.592 -13.023 -1.101 1.00 11.55 C ATOM 1012 CG GLN A 68 2.276 -12.308 -1.362 1.00 33.23 C ATOM 1013 CD GLN A 68 1.119 -12.917 -0.594 1.00 11.11 C ATOM 1014 OE1 GLN A 68 0.793 -14.092 -0.767 1.00 45.32 O ATOM 1015 NE2 GLN A 68 0.491 -12.119 0.261 1.00 15.24 N ATOM 0 H GLN A 68 6.350 -13.383 -0.560 1.00 3.01 H new ATOM 0 HA GLN A 68 4.698 -11.460 -2.075 1.00 3.22 H new ATOM 0 HB2 GLN A 68 3.697 -13.844 -1.811 1.00 11.55 H new ATOM 0 HB3 GLN A 68 3.565 -13.464 -0.105 1.00 11.55 H new ATOM 0 HG2 GLN A 68 2.377 -11.258 -1.088 1.00 33.23 H new ATOM 0 HG3 GLN A 68 2.055 -12.339 -2.429 1.00 33.23 H new ATOM 0 HE21 GLN A 68 0.795 -11.152 0.373 1.00 15.24 H new ATOM 0 HE22 GLN A 68 -0.295 -12.473 0.806 1.00 15.24 H new ATOM 1024 N TYR A 69 6.136 -11.144 0.580 1.00 1.20 N ATOM 1025 CA TYR A 69 6.376 -10.345 1.776 1.00 44.33 C ATOM 1026 C TYR A 69 6.895 -8.958 1.409 1.00 43.32 C ATOM 1027 O TYR A 69 7.619 -8.793 0.427 1.00 61.14 O ATOM 1028 CB TYR A 69 7.377 -11.050 2.693 1.00 42.50 C ATOM 1029 CG TYR A 69 7.983 -10.142 3.739 1.00 2.42 C ATOM 1030 CD1 TYR A 69 7.189 -9.537 4.706 1.00 25.14 C ATOM 1031 CD2 TYR A 69 9.349 -9.887 3.760 1.00 31.41 C ATOM 1032 CE1 TYR A 69 7.739 -8.706 5.664 1.00 75.31 C ATOM 1033 CE2 TYR A 69 9.907 -9.059 4.715 1.00 72.24 C ATOM 1034 CZ TYR A 69 9.098 -8.471 5.664 1.00 14.21 C ATOM 1035 OH TYR A 69 9.649 -7.644 6.616 1.00 63.12 O ATOM 0 H TYR A 69 6.965 -11.609 0.210 1.00 1.20 H new ATOM 0 HA TYR A 69 5.428 -10.231 2.303 1.00 44.33 H new ATOM 0 HB2 TYR A 69 6.878 -11.881 3.191 1.00 42.50 H new ATOM 0 HB3 TYR A 69 8.176 -11.475 2.086 1.00 42.50 H new ATOM 0 HD1 TYR A 69 6.124 -9.719 4.709 1.00 25.14 H new ATOM 0 HD2 TYR A 69 9.986 -10.344 3.017 1.00 31.41 H new ATOM 0 HE1 TYR A 69 7.108 -8.243 6.408 1.00 75.31 H new ATOM 0 HE2 TYR A 69 10.971 -8.873 4.718 1.00 72.24 H new ATOM 0 HH TYR A 69 10.617 -7.585 6.477 1.00 63.12 H new ATOM 1045 N ASP A 70 6.520 -7.963 2.206 1.00 62.23 N ATOM 1046 CA ASP A 70 6.948 -6.590 1.968 1.00 40.45 C ATOM 1047 C ASP A 70 8.470 -6.488 1.961 1.00 41.12 C ATOM 1048 O ASP A 70 9.141 -6.995 2.861 1.00 12.32 O ATOM 1049 CB ASP A 70 6.367 -5.660 3.034 1.00 40.32 C ATOM 1050 CG ASP A 70 4.870 -5.473 2.886 1.00 72.22 C ATOM 1051 OD1 ASP A 70 4.410 -5.238 1.748 1.00 24.43 O ATOM 1052 OD2 ASP A 70 4.157 -5.563 3.907 1.00 3.33 O ATOM 0 H ASP A 70 5.920 -8.082 3.023 1.00 62.23 H new ATOM 0 HA ASP A 70 6.577 -6.285 0.989 1.00 40.45 H new ATOM 0 HB2 ASP A 70 6.584 -6.065 4.022 1.00 40.32 H new ATOM 0 HB3 ASP A 70 6.859 -4.689 2.973 1.00 40.32 H new ATOM 1057 N LEU A 71 9.009 -5.831 0.940 1.00 65.22 N ATOM 1058 CA LEU A 71 10.453 -5.664 0.815 1.00 42.32 C ATOM 1059 C LEU A 71 11.173 -6.998 0.985 1.00 0.31 C ATOM 1060 O LEU A 71 12.295 -7.050 1.489 1.00 3.13 O ATOM 1061 CB LEU A 71 10.962 -4.661 1.852 1.00 52.31 C ATOM 1062 CG LEU A 71 10.174 -3.355 1.965 1.00 3.12 C ATOM 1063 CD1 LEU A 71 10.892 -2.376 2.882 1.00 62.53 C ATOM 1064 CD2 LEU A 71 9.960 -2.741 0.590 1.00 54.44 C ATOM 0 H LEU A 71 8.468 -5.405 0.187 1.00 65.22 H new ATOM 0 HA LEU A 71 10.664 -5.283 -0.184 1.00 42.32 H new ATOM 0 HB2 LEU A 71 10.964 -5.147 2.828 1.00 52.31 H new ATOM 0 HB3 LEU A 71 11.998 -4.418 1.615 1.00 52.31 H new ATOM 0 HG LEU A 71 9.199 -3.578 2.397 1.00 3.12 H new ATOM 0 HD11 LEU A 71 10.317 -1.453 2.950 1.00 62.53 H new ATOM 0 HD12 LEU A 71 10.993 -2.815 3.875 1.00 62.53 H new ATOM 0 HD13 LEU A 71 11.881 -2.158 2.479 1.00 62.53 H new ATOM 0 HD21 LEU A 71 9.398 -1.813 0.690 1.00 54.44 H new ATOM 0 HD22 LEU A 71 10.926 -2.533 0.130 1.00 54.44 H new ATOM 0 HD23 LEU A 71 9.403 -3.437 -0.037 1.00 54.44 H new ATOM 1076 N CYS A 72 10.521 -8.074 0.560 1.00 71.44 N ATOM 1077 CA CYS A 72 11.098 -9.409 0.663 1.00 62.12 C ATOM 1078 C CYS A 72 12.321 -9.544 -0.241 1.00 33.35 C ATOM 1079 O CYS A 72 13.210 -10.354 0.018 1.00 32.14 O ATOM 1080 CB CYS A 72 10.057 -10.468 0.293 1.00 45.31 C ATOM 1081 SG CYS A 72 9.479 -10.371 -1.432 1.00 11.22 S ATOM 0 H CYS A 72 9.592 -8.048 0.140 1.00 71.44 H new ATOM 0 HA CYS A 72 11.412 -9.563 1.695 1.00 62.12 H new ATOM 0 HB2 CYS A 72 10.482 -11.456 0.468 1.00 45.31 H new ATOM 0 HB3 CYS A 72 9.200 -10.368 0.959 1.00 45.31 H new ATOM 1086 N ASN A 73 12.357 -8.745 -1.302 1.00 12.35 N ATOM 1087 CA ASN A 73 13.470 -8.775 -2.244 1.00 15.12 C ATOM 1088 C ASN A 73 14.512 -7.718 -1.889 1.00 75.52 C ATOM 1089 O ASN A 73 15.248 -7.243 -2.753 1.00 15.13 O ATOM 1090 CB ASN A 73 12.963 -8.550 -3.670 1.00 45.41 C ATOM 1091 CG ASN A 73 12.261 -7.215 -3.830 1.00 62.13 C ATOM 1092 OD1 ASN A 73 11.986 -6.524 -2.849 1.00 73.33 O ATOM 1093 ND2 ASN A 73 11.968 -6.846 -5.072 1.00 31.51 N ATOM 0 H ASN A 73 11.629 -8.069 -1.531 1.00 12.35 H new ATOM 0 HA ASN A 73 13.940 -9.757 -2.183 1.00 15.12 H new ATOM 0 HB2 ASN A 73 13.802 -8.602 -4.364 1.00 45.41 H new ATOM 0 HB3 ASN A 73 12.277 -9.353 -3.940 1.00 45.41 H new ATOM 0 HD21 ASN A 73 11.496 -5.958 -5.242 1.00 31.51 H new ATOM 0 HD22 ASN A 73 12.215 -7.451 -5.855 1.00 31.51 H new ATOM 1100 N GLY A 74 14.568 -7.356 -0.611 1.00 60.20 N ATOM 1101 CA GLY A 74 15.523 -6.359 -0.164 1.00 61.11 C ATOM 1102 C GLY A 74 16.886 -6.953 0.130 1.00 44.11 C ATOM 1103 O GLY A 74 17.027 -7.791 1.020 1.00 34.32 O ATOM 0 H GLY A 74 13.969 -7.735 0.123 1.00 60.20 H new ATOM 0 HA2 GLY A 74 15.623 -5.588 -0.928 1.00 61.11 H new ATOM 0 HA3 GLY A 74 15.141 -5.871 0.733 1.00 61.11 H new