USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 638 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 33 SER OG : rot -80:sc= -1.04! USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -0.51 F(o=-3.1,f=-1.6) USER MOD Set 2.1: A 8 THR OG1 : rot -86:sc= 0.745 USER MOD Set 2.2: A 10 SER OG : rot -174:sc= 0.587 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -30:sc= -0.956 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.91! C(o=-1.9!,f=-3.2!) USER MOD Single : A 13 THR OG1 : rot 155:sc= 1.28 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 1.21 (180deg=0.863) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.64) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= -0.0017 (180deg=-0.139) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0507 (180deg=-0.334) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.4!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.347 F(o=-1.3,f=-0.35) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.07 X(o=-2.1,f=-2.4) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -46:sc= 0.306 USER MOD Single : A 83 ASN : amide:sc= -0.412! C(o=-0.41!,f=-11!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.480 -11.119 -6.815 1.00 5.75 N ATOM 2 CA GLY A 1 7.488 -10.938 -5.729 1.00 5.18 C ATOM 3 C GLY A 1 6.151 -10.474 -6.264 1.00 4.19 C ATOM 4 O GLY A 1 6.056 -10.055 -7.420 1.00 4.26 O ATOM 0 H1 GLY A 1 8.702 -12.130 -6.918 1.00 5.75 H new ATOM 0 H2 GLY A 1 8.087 -10.758 -7.708 1.00 5.75 H new ATOM 0 H3 GLY A 1 9.348 -10.596 -6.583 1.00 5.75 H new ATOM 0 HA2 GLY A 1 7.359 -11.879 -5.193 1.00 5.18 H new ATOM 0 HA3 GLY A 1 7.864 -10.211 -5.010 1.00 5.18 H new ATOM 10 N SER A 2 5.117 -10.548 -5.436 1.00 3.74 N ATOM 11 CA SER A 2 3.782 -10.123 -5.838 1.00 3.26 C ATOM 12 C SER A 2 3.682 -8.597 -5.839 1.00 2.09 C ATOM 13 O SER A 2 3.063 -8.001 -4.961 1.00 2.28 O ATOM 14 CB SER A 2 2.739 -10.730 -4.896 1.00 4.10 C ATOM 15 OG SER A 2 2.833 -12.147 -4.875 1.00 4.66 O ATOM 0 H SER A 2 5.177 -10.899 -4.480 1.00 3.74 H new ATOM 0 HA SER A 2 3.589 -10.476 -6.851 1.00 3.26 H new ATOM 0 HB2 SER A 2 2.882 -10.338 -3.889 1.00 4.10 H new ATOM 0 HB3 SER A 2 1.740 -10.433 -5.215 1.00 4.10 H new ATOM 0 HG SER A 2 2.158 -12.511 -4.265 1.00 4.66 H new ATOM 21 N GLY A 3 4.300 -7.971 -6.831 1.00 1.60 N ATOM 22 CA GLY A 3 4.331 -6.524 -6.897 1.00 1.30 C ATOM 23 C GLY A 3 5.538 -5.968 -6.179 1.00 1.09 C ATOM 24 O GLY A 3 6.421 -5.374 -6.797 1.00 1.32 O ATOM 0 H GLY A 3 4.783 -8.443 -7.595 1.00 1.60 H new ATOM 0 HA2 GLY A 3 4.347 -6.206 -7.939 1.00 1.30 H new ATOM 0 HA3 GLY A 3 3.422 -6.118 -6.453 1.00 1.30 H new ATOM 28 N TRP A 4 5.574 -6.163 -4.872 1.00 0.81 N ATOM 29 CA TRP A 4 6.726 -5.792 -4.070 1.00 0.60 C ATOM 30 C TRP A 4 7.269 -7.006 -3.343 1.00 0.62 C ATOM 31 O TRP A 4 6.518 -7.927 -3.007 1.00 0.74 O ATOM 32 CB TRP A 4 6.362 -4.708 -3.059 1.00 0.45 C ATOM 33 CG TRP A 4 6.308 -3.339 -3.651 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.194 -2.633 -3.988 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.426 -2.513 -3.984 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.550 -1.408 -4.494 1.00 0.40 N ATOM 37 CE2 TRP A 4 6.916 -1.313 -4.507 1.00 0.37 C ATOM 38 CE3 TRP A 4 8.812 -2.671 -3.884 1.00 0.43 C ATOM 39 CZ2 TRP A 4 7.742 -0.277 -4.929 1.00 0.45 C ATOM 40 CZ3 TRP A 4 9.630 -1.642 -4.306 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.095 -0.458 -4.822 1.00 0.52 C ATOM 0 H TRP A 4 4.810 -6.580 -4.340 1.00 0.81 H new ATOM 0 HA TRP A 4 7.491 -5.399 -4.740 1.00 0.60 H new ATOM 0 HB2 TRP A 4 5.393 -4.943 -2.618 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.092 -4.717 -2.249 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.179 -2.985 -3.874 1.00 0.42 H new ATOM 0 HE1 TRP A 4 4.902 -0.686 -4.809 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.235 -3.581 -3.484 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.331 0.639 -5.327 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 10.702 -1.754 -4.236 1.00 0.52 H new ATOM 0 HH2 TRP A 4 9.762 0.329 -5.142 1.00 0.52 H new ATOM 52 N GLU A 5 8.574 -7.005 -3.108 1.00 0.66 N ATOM 53 CA GLU A 5 9.214 -8.089 -2.388 1.00 0.73 C ATOM 54 C GLU A 5 8.696 -8.141 -0.959 1.00 0.67 C ATOM 55 O GLU A 5 8.974 -7.254 -0.153 1.00 0.78 O ATOM 56 CB GLU A 5 10.734 -7.919 -2.404 1.00 0.96 C ATOM 57 CG GLU A 5 11.337 -8.028 -3.793 1.00 1.49 C ATOM 58 CD GLU A 5 12.848 -7.977 -3.775 1.00 2.14 C ATOM 59 OE1 GLU A 5 13.476 -8.936 -3.279 1.00 2.65 O ATOM 60 OE2 GLU A 5 13.418 -6.975 -4.255 1.00 2.73 O ATOM 0 H GLU A 5 9.208 -6.264 -3.407 1.00 0.66 H new ATOM 0 HA GLU A 5 8.972 -9.030 -2.882 1.00 0.73 H new ATOM 0 HB2 GLU A 5 10.988 -6.947 -1.981 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.184 -8.675 -1.760 1.00 0.96 H new ATOM 0 HG2 GLU A 5 11.014 -8.962 -4.253 1.00 1.49 H new ATOM 0 HG3 GLU A 5 10.957 -7.218 -4.415 1.00 1.49 H new ATOM 67 N SER A 6 7.928 -9.174 -0.661 1.00 0.74 N ATOM 68 CA SER A 6 7.325 -9.329 0.649 1.00 0.87 C ATOM 69 C SER A 6 8.088 -10.361 1.471 1.00 0.88 C ATOM 70 O SER A 6 7.536 -10.981 2.382 1.00 0.90 O ATOM 71 CB SER A 6 5.857 -9.734 0.503 1.00 1.16 C ATOM 72 OG SER A 6 5.142 -8.768 -0.251 1.00 1.75 O ATOM 0 H SER A 6 7.706 -9.924 -1.316 1.00 0.74 H new ATOM 0 HA SER A 6 7.374 -8.375 1.174 1.00 0.87 H new ATOM 0 HB2 SER A 6 5.790 -10.706 0.015 1.00 1.16 H new ATOM 0 HB3 SER A 6 5.404 -9.841 1.489 1.00 1.16 H new ATOM 0 HG SER A 6 5.543 -7.884 -0.114 1.00 1.75 H new ATOM 78 N LYS A 7 9.369 -10.519 1.152 1.00 0.95 N ATOM 79 CA LYS A 7 10.226 -11.494 1.822 1.00 1.09 C ATOM 80 C LYS A 7 10.410 -11.142 3.293 1.00 1.03 C ATOM 81 O LYS A 7 10.844 -11.971 4.091 1.00 1.09 O ATOM 82 CB LYS A 7 11.582 -11.589 1.104 1.00 1.37 C ATOM 83 CG LYS A 7 12.368 -10.285 1.058 1.00 1.65 C ATOM 84 CD LYS A 7 13.227 -10.081 2.297 1.00 2.11 C ATOM 85 CE LYS A 7 14.360 -11.090 2.365 1.00 2.79 C ATOM 86 NZ LYS A 7 15.260 -10.839 3.521 1.00 3.24 N ATOM 0 H LYS A 7 9.841 -9.979 0.427 1.00 0.95 H new ATOM 0 HA LYS A 7 9.741 -12.469 1.776 1.00 1.09 H new ATOM 0 HB2 LYS A 7 12.189 -12.346 1.600 1.00 1.37 H new ATOM 0 HB3 LYS A 7 11.415 -11.933 0.083 1.00 1.37 H new ATOM 0 HG2 LYS A 7 13.004 -10.279 0.173 1.00 1.65 H new ATOM 0 HG3 LYS A 7 11.675 -9.450 0.958 1.00 1.65 H new ATOM 0 HD2 LYS A 7 13.638 -9.071 2.293 1.00 2.11 H new ATOM 0 HD3 LYS A 7 12.607 -10.169 3.189 1.00 2.11 H new ATOM 0 HE2 LYS A 7 13.946 -12.096 2.439 1.00 2.79 H new ATOM 0 HE3 LYS A 7 14.937 -11.050 1.441 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 16.019 -11.550 3.531 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 15.676 -9.889 3.438 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 14.716 -10.902 4.405 1.00 3.24 H new ATOM 100 N THR A 8 10.082 -9.903 3.643 1.00 1.01 N ATOM 101 CA THR A 8 10.130 -9.461 5.024 1.00 1.08 C ATOM 102 C THR A 8 9.027 -10.139 5.849 1.00 0.93 C ATOM 103 O THR A 8 9.064 -10.138 7.080 1.00 1.03 O ATOM 104 CB THR A 8 10.027 -7.915 5.124 1.00 1.25 C ATOM 105 OG1 THR A 8 10.062 -7.492 6.495 1.00 2.05 O ATOM 106 CG2 THR A 8 8.758 -7.394 4.463 1.00 1.66 C ATOM 0 H THR A 8 9.779 -9.187 2.983 1.00 1.01 H new ATOM 0 HA THR A 8 11.095 -9.755 5.437 1.00 1.08 H new ATOM 0 HB THR A 8 10.886 -7.500 4.596 1.00 1.25 H new ATOM 0 HG1 THR A 8 9.157 -7.523 6.870 1.00 2.05 H new ATOM 0 HG21 THR A 8 8.720 -6.308 4.553 1.00 1.66 H new ATOM 0 HG22 THR A 8 8.757 -7.671 3.409 1.00 1.66 H new ATOM 0 HG23 THR A 8 7.887 -7.829 4.954 1.00 1.66 H new ATOM 114 N GLY A 9 8.061 -10.745 5.156 1.00 0.79 N ATOM 115 CA GLY A 9 7.002 -11.477 5.827 1.00 0.79 C ATOM 116 C GLY A 9 5.988 -10.564 6.482 1.00 0.69 C ATOM 117 O GLY A 9 5.203 -10.993 7.324 1.00 0.88 O ATOM 0 H GLY A 9 7.996 -10.740 4.138 1.00 0.79 H new ATOM 0 HA2 GLY A 9 6.495 -12.118 5.106 1.00 0.79 H new ATOM 0 HA3 GLY A 9 7.439 -12.130 6.583 1.00 0.79 H new ATOM 121 N SER A 10 6.002 -9.304 6.086 1.00 0.61 N ATOM 122 CA SER A 10 5.187 -8.292 6.734 1.00 0.73 C ATOM 123 C SER A 10 3.876 -8.051 5.986 1.00 0.64 C ATOM 124 O SER A 10 2.984 -7.374 6.496 1.00 0.73 O ATOM 125 CB SER A 10 5.981 -6.992 6.829 1.00 0.96 C ATOM 126 OG SER A 10 7.299 -7.238 7.292 1.00 1.72 O ATOM 0 H SER A 10 6.572 -8.956 5.315 1.00 0.61 H new ATOM 0 HA SER A 10 4.931 -8.649 7.732 1.00 0.73 H new ATOM 0 HB2 SER A 10 6.018 -6.511 5.851 1.00 0.96 H new ATOM 0 HB3 SER A 10 5.477 -6.301 7.505 1.00 0.96 H new ATOM 0 HG SER A 10 7.760 -6.385 7.435 1.00 1.72 H new ATOM 132 N CYS A 11 3.750 -8.604 4.785 1.00 0.52 N ATOM 133 CA CYS A 11 2.555 -8.374 3.984 1.00 0.44 C ATOM 134 C CYS A 11 2.117 -9.654 3.285 1.00 0.41 C ATOM 135 O CYS A 11 2.950 -10.439 2.832 1.00 0.43 O ATOM 136 CB CYS A 11 2.827 -7.283 2.948 1.00 0.41 C ATOM 137 SG CYS A 11 1.342 -6.722 2.058 1.00 1.19 S ATOM 0 H CYS A 11 4.449 -9.206 4.350 1.00 0.52 H new ATOM 0 HA CYS A 11 1.752 -8.052 4.647 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.284 -6.428 3.447 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.553 -7.655 2.225 1.00 0.41 H new ATOM 142 N ASN A 12 0.805 -9.860 3.207 1.00 0.46 N ATOM 143 CA ASN A 12 0.246 -11.061 2.587 1.00 0.53 C ATOM 144 C ASN A 12 -0.081 -10.848 1.110 1.00 0.47 C ATOM 145 O ASN A 12 -0.016 -11.782 0.312 1.00 0.57 O ATOM 146 CB ASN A 12 -1.008 -11.532 3.342 1.00 0.69 C ATOM 147 CG ASN A 12 -2.161 -10.543 3.300 1.00 0.90 C ATOM 148 OD1 ASN A 12 -3.017 -10.608 2.421 1.00 1.66 O ATOM 149 ND2 ASN A 12 -2.204 -9.633 4.259 1.00 1.03 N ATOM 0 H ASN A 12 0.106 -9.210 3.566 1.00 0.46 H new ATOM 0 HA ASN A 12 1.011 -11.835 2.648 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -1.340 -12.480 2.919 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -0.744 -11.722 4.382 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -2.966 -8.955 4.285 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -1.475 -9.609 4.973 1.00 1.03 H new ATOM 156 N THR A 13 -0.424 -9.620 0.749 1.00 0.38 N ATOM 157 CA THR A 13 -0.926 -9.331 -0.588 1.00 0.37 C ATOM 158 C THR A 13 0.194 -8.980 -1.558 1.00 0.35 C ATOM 159 O THR A 13 0.097 -9.241 -2.759 1.00 0.44 O ATOM 160 CB THR A 13 -1.923 -8.166 -0.536 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.340 -7.080 0.198 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.222 -8.597 0.123 1.00 0.52 C ATOM 0 H THR A 13 -0.364 -8.807 1.363 1.00 0.38 H new ATOM 0 HA THR A 13 -1.417 -10.235 -0.947 1.00 0.37 H new ATOM 0 HB THR A 13 -2.147 -7.847 -1.554 1.00 0.41 H new ATOM 0 HG1 THR A 13 -1.751 -6.236 -0.084 1.00 0.43 H new ATOM 0 HG21 THR A 13 -3.914 -7.755 0.149 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.666 -9.414 -0.447 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.020 -8.932 1.140 1.00 0.52 H new ATOM 170 N GLY A 14 1.252 -8.384 -1.035 1.00 0.29 N ATOM 171 CA GLY A 14 2.354 -7.973 -1.876 1.00 0.31 C ATOM 172 C GLY A 14 2.250 -6.516 -2.279 1.00 0.30 C ATOM 173 O GLY A 14 3.172 -5.963 -2.879 1.00 0.43 O ATOM 0 H GLY A 14 1.368 -8.177 -0.043 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.293 -8.137 -1.348 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.379 -8.595 -2.771 1.00 0.31 H new ATOM 177 N LYS A 15 1.127 -5.888 -1.948 1.00 0.24 N ATOM 178 CA LYS A 15 0.948 -4.475 -2.235 1.00 0.25 C ATOM 179 C LYS A 15 1.502 -3.638 -1.095 1.00 0.24 C ATOM 180 O LYS A 15 0.794 -3.300 -0.145 1.00 0.25 O ATOM 181 CB LYS A 15 -0.526 -4.129 -2.476 1.00 0.31 C ATOM 182 CG LYS A 15 -1.088 -4.703 -3.767 1.00 0.41 C ATOM 183 CD LYS A 15 -2.319 -3.940 -4.229 1.00 0.57 C ATOM 184 CE LYS A 15 -2.818 -4.450 -5.568 1.00 0.69 C ATOM 185 NZ LYS A 15 -3.842 -3.551 -6.173 1.00 1.64 N ATOM 0 H LYS A 15 0.335 -6.333 -1.485 1.00 0.24 H new ATOM 0 HA LYS A 15 1.496 -4.249 -3.150 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -1.118 -4.497 -1.638 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.637 -3.045 -2.493 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.325 -4.668 -4.544 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -1.344 -5.752 -3.618 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.109 -4.036 -3.484 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.083 -2.879 -4.308 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -1.976 -4.549 -6.253 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -3.243 -5.445 -5.439 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -4.077 -3.886 -7.129 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -4.699 -3.555 -5.584 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -3.465 -2.583 -6.228 1.00 1.64 H new ATOM 199 N LEU A 16 2.782 -3.329 -1.191 1.00 0.26 N ATOM 200 CA LEU A 16 3.449 -2.488 -0.223 1.00 0.30 C ATOM 201 C LEU A 16 3.515 -1.062 -0.743 1.00 0.33 C ATOM 202 O LEU A 16 4.038 -0.817 -1.828 1.00 0.55 O ATOM 203 CB LEU A 16 4.862 -3.014 0.052 1.00 0.35 C ATOM 204 CG LEU A 16 4.944 -4.262 0.936 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.319 -5.453 0.247 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.385 -4.567 1.311 1.00 0.43 C ATOM 0 H LEU A 16 3.386 -3.656 -1.945 1.00 0.26 H new ATOM 0 HA LEU A 16 2.885 -2.503 0.709 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.340 -3.235 -0.902 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.441 -2.219 0.522 1.00 0.35 H new ATOM 0 HG LEU A 16 4.385 -4.060 1.850 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.390 -6.327 0.895 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.271 -5.242 0.035 1.00 0.29 H new ATOM 0 HD13 LEU A 16 4.845 -5.650 -0.687 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.417 -5.457 1.939 1.00 0.43 H new ATOM 0 HD22 LEU A 16 6.968 -4.740 0.406 1.00 0.43 H new ATOM 0 HD23 LEU A 16 6.805 -3.723 1.857 1.00 0.43 H new ATOM 218 N ALA A 17 2.970 -0.125 0.009 1.00 0.27 N ATOM 219 CA ALA A 17 2.977 1.265 -0.410 1.00 0.27 C ATOM 220 C ALA A 17 3.526 2.165 0.683 1.00 0.24 C ATOM 221 O ALA A 17 3.362 1.891 1.875 1.00 0.28 O ATOM 222 CB ALA A 17 1.578 1.713 -0.807 1.00 0.29 C ATOM 0 H ALA A 17 2.519 -0.298 0.908 1.00 0.27 H new ATOM 0 HA ALA A 17 3.631 1.347 -1.278 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.605 2.757 -1.118 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.220 1.098 -1.632 1.00 0.29 H new ATOM 0 HB3 ALA A 17 0.906 1.605 0.044 1.00 0.29 H new ATOM 228 N CYS A 18 4.205 3.221 0.267 1.00 0.26 N ATOM 229 CA CYS A 18 4.651 4.253 1.186 1.00 0.26 C ATOM 230 C CYS A 18 3.491 5.198 1.459 1.00 0.24 C ATOM 231 O CYS A 18 3.092 5.967 0.583 1.00 0.32 O ATOM 232 CB CYS A 18 5.829 5.020 0.589 1.00 0.36 C ATOM 233 SG CYS A 18 7.245 3.968 0.141 1.00 0.74 S ATOM 0 H CYS A 18 4.460 3.386 -0.707 1.00 0.26 H new ATOM 0 HA CYS A 18 4.981 3.797 2.119 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.490 5.553 -0.299 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.160 5.772 1.305 1.00 0.36 H new ATOM 238 N CYS A 19 2.950 5.143 2.662 1.00 0.21 N ATOM 239 CA CYS A 19 1.707 5.834 2.951 1.00 0.21 C ATOM 240 C CYS A 19 1.828 6.747 4.157 1.00 0.23 C ATOM 241 O CYS A 19 2.651 6.524 5.047 1.00 0.30 O ATOM 242 CB CYS A 19 0.584 4.823 3.178 1.00 0.23 C ATOM 243 SG CYS A 19 0.209 3.795 1.723 1.00 0.50 S ATOM 0 H CYS A 19 3.348 4.631 3.449 1.00 0.21 H new ATOM 0 HA CYS A 19 1.473 6.456 2.087 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.857 4.173 4.009 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.318 5.358 3.475 1.00 0.23 H new ATOM 248 N ASP A 20 0.999 7.780 4.172 1.00 0.23 N ATOM 249 CA ASP A 20 0.920 8.686 5.299 1.00 0.28 C ATOM 250 C ASP A 20 -0.284 8.291 6.139 1.00 0.28 C ATOM 251 O ASP A 20 -1.422 8.414 5.691 1.00 0.34 O ATOM 252 CB ASP A 20 0.768 10.134 4.834 1.00 0.37 C ATOM 253 CG ASP A 20 0.942 11.119 5.970 1.00 1.01 C ATOM 254 OD1 ASP A 20 -0.009 11.308 6.749 1.00 1.65 O ATOM 255 OD2 ASP A 20 2.038 11.709 6.085 1.00 1.33 O ATOM 0 H ASP A 20 0.367 8.010 3.405 1.00 0.23 H new ATOM 0 HA ASP A 20 1.839 8.618 5.881 1.00 0.28 H new ATOM 0 HB2 ASP A 20 1.503 10.344 4.057 1.00 0.37 H new ATOM 0 HB3 ASP A 20 -0.216 10.269 4.386 1.00 0.37 H new ATOM 260 N THR A 21 -0.042 7.814 7.344 1.00 0.31 N ATOM 261 CA THR A 21 -1.098 7.198 8.131 1.00 0.36 C ATOM 262 C THR A 21 -2.050 8.214 8.771 1.00 0.42 C ATOM 263 O THR A 21 -3.095 7.834 9.300 1.00 0.52 O ATOM 264 CB THR A 21 -0.514 6.273 9.213 1.00 0.41 C ATOM 265 OG1 THR A 21 0.448 6.982 10.012 1.00 0.41 O ATOM 266 CG2 THR A 21 0.148 5.054 8.583 1.00 0.43 C ATOM 0 H THR A 21 0.870 7.839 7.800 1.00 0.31 H new ATOM 0 HA THR A 21 -1.686 6.609 7.428 1.00 0.36 H new ATOM 0 HB THR A 21 -1.334 5.940 9.848 1.00 0.41 H new ATOM 0 HG1 THR A 21 0.810 6.382 10.697 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.554 4.414 9.367 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.590 4.497 8.006 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.955 5.377 7.925 1.00 0.43 H new ATOM 274 N ASN A 22 -1.714 9.499 8.726 1.00 0.43 N ATOM 275 CA ASN A 22 -2.614 10.514 9.249 1.00 0.56 C ATOM 276 C ASN A 22 -3.246 11.261 8.093 1.00 0.50 C ATOM 277 O ASN A 22 -4.104 12.125 8.269 1.00 0.63 O ATOM 278 CB ASN A 22 -1.879 11.461 10.197 1.00 0.70 C ATOM 279 CG ASN A 22 -1.020 12.507 9.508 1.00 1.35 C ATOM 280 OD1 ASN A 22 0.166 12.285 9.264 1.00 1.87 O ATOM 281 ND2 ASN A 22 -1.597 13.668 9.231 1.00 2.20 N ATOM 0 H ASN A 22 -0.840 9.856 8.339 1.00 0.43 H new ATOM 0 HA ASN A 22 -3.402 10.035 9.830 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -2.613 11.968 10.823 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -1.247 10.871 10.861 1.00 0.70 H new ATOM 0 HD21 ASN A 22 -1.055 14.417 8.800 1.00 2.20 H new ATOM 0 HD22 ASN A 22 -2.583 13.812 9.449 1.00 2.20 H new ATOM 288 N LYS A 23 -2.796 10.896 6.911 1.00 0.40 N ATOM 289 CA LYS A 23 -3.330 11.406 5.660 1.00 0.39 C ATOM 290 C LYS A 23 -4.414 10.480 5.146 1.00 0.32 C ATOM 291 O LYS A 23 -4.123 9.413 4.619 1.00 0.39 O ATOM 292 CB LYS A 23 -2.210 11.463 4.632 1.00 0.47 C ATOM 293 CG LYS A 23 -2.167 12.702 3.770 1.00 0.95 C ATOM 294 CD LYS A 23 -3.549 13.226 3.424 1.00 1.53 C ATOM 295 CE LYS A 23 -3.443 14.533 2.676 1.00 1.84 C ATOM 296 NZ LYS A 23 -3.017 15.651 3.555 1.00 2.60 N ATOM 0 H LYS A 23 -2.037 10.226 6.788 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.747 12.399 5.825 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.258 11.375 5.156 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.297 10.594 3.980 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -1.608 13.481 4.289 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -1.627 12.480 2.850 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -4.081 12.494 2.817 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -4.130 13.367 4.335 1.00 1.53 H new ATOM 0 HE2 LYS A 23 -2.730 14.425 1.858 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -4.408 14.773 2.229 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 -3.184 16.556 3.071 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 -3.564 15.625 4.439 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 -2.004 15.556 3.771 1.00 2.60 H new ATOM 310 N LYS A 24 -5.653 10.888 5.281 1.00 0.49 N ATOM 311 CA LYS A 24 -6.762 10.037 4.913 1.00 0.49 C ATOM 312 C LYS A 24 -7.333 10.413 3.553 1.00 0.45 C ATOM 313 O LYS A 24 -7.086 11.505 3.034 1.00 0.48 O ATOM 314 CB LYS A 24 -7.862 10.123 5.961 1.00 0.61 C ATOM 315 CG LYS A 24 -7.550 9.431 7.281 1.00 0.91 C ATOM 316 CD LYS A 24 -6.546 10.200 8.120 1.00 1.32 C ATOM 317 CE LYS A 24 -6.361 9.570 9.494 1.00 1.88 C ATOM 318 NZ LYS A 24 -7.615 9.595 10.296 1.00 2.17 N ATOM 0 H LYS A 24 -5.920 11.804 5.643 1.00 0.49 H new ATOM 0 HA LYS A 24 -6.384 9.016 4.856 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -8.072 11.174 6.160 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.772 9.689 5.547 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -8.472 9.306 7.848 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -7.161 8.433 7.081 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -5.587 10.232 7.602 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -6.881 11.231 8.234 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -6.026 8.539 9.377 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -5.576 10.101 10.033 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -7.390 9.431 11.298 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -8.075 10.522 10.192 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -8.257 8.850 9.959 1.00 2.17 H new ATOM 332 N VAL A 25 -8.087 9.488 2.983 1.00 0.46 N ATOM 333 CA VAL A 25 -8.800 9.710 1.733 1.00 0.50 C ATOM 334 C VAL A 25 -10.279 9.440 1.959 1.00 0.56 C ATOM 335 O VAL A 25 -10.647 8.526 2.700 1.00 0.57 O ATOM 336 CB VAL A 25 -8.305 8.778 0.605 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.817 9.240 -0.750 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.791 8.676 0.597 1.00 0.44 C ATOM 0 H VAL A 25 -8.223 8.556 3.375 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.620 10.741 1.427 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.708 7.784 0.802 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.453 8.566 -1.526 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.907 9.236 -0.748 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -8.458 10.250 -0.950 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.475 8.013 -0.208 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -6.360 9.665 0.442 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.448 8.276 1.551 1.00 0.44 H new ATOM 348 N GLN A 26 -11.121 10.225 1.315 1.00 0.66 N ATOM 349 CA GLN A 26 -12.555 10.132 1.513 1.00 0.78 C ATOM 350 C GLN A 26 -13.165 9.087 0.593 1.00 0.75 C ATOM 351 O GLN A 26 -14.153 8.440 0.939 1.00 0.87 O ATOM 352 CB GLN A 26 -13.199 11.493 1.277 1.00 0.97 C ATOM 353 CG GLN A 26 -12.868 12.515 2.352 1.00 1.71 C ATOM 354 CD GLN A 26 -13.501 13.865 2.090 1.00 2.23 C ATOM 355 OE1 GLN A 26 -14.553 13.961 1.459 1.00 2.62 O ATOM 356 NE2 GLN A 26 -12.872 14.920 2.583 1.00 2.83 N ATOM 0 H GLN A 26 -10.834 10.939 0.646 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.744 9.823 2.541 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -12.875 11.877 0.310 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -14.281 11.370 1.225 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -13.206 12.142 3.319 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -11.786 12.632 2.416 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -12.002 14.799 3.101 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -13.258 15.854 2.445 1.00 2.83 H new ATOM 365 N LYS A 27 -12.571 8.920 -0.577 1.00 0.96 N ATOM 366 CA LYS A 27 -13.047 7.933 -1.528 1.00 1.06 C ATOM 367 C LYS A 27 -12.397 6.581 -1.261 1.00 0.94 C ATOM 368 O LYS A 27 -11.176 6.447 -1.316 1.00 1.56 O ATOM 369 CB LYS A 27 -12.756 8.383 -2.962 1.00 1.81 C ATOM 370 CG LYS A 27 -13.386 9.721 -3.326 1.00 2.36 C ATOM 371 CD LYS A 27 -14.893 9.709 -3.147 1.00 2.79 C ATOM 372 CE LYS A 27 -15.547 8.742 -4.107 1.00 3.33 C ATOM 373 NZ LYS A 27 -17.032 8.831 -4.069 1.00 4.07 N ATOM 0 H LYS A 27 -11.760 9.454 -0.889 1.00 0.96 H new ATOM 0 HA LYS A 27 -14.126 7.834 -1.407 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -11.677 8.451 -3.100 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -13.118 7.621 -3.653 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -12.954 10.506 -2.705 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -13.146 9.965 -4.361 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -15.138 9.431 -2.122 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -15.290 10.711 -3.309 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -15.198 8.946 -5.119 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -15.239 7.725 -3.862 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -17.438 8.151 -4.743 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -17.369 8.611 -3.110 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -17.329 9.794 -4.328 1.00 4.07 H new ATOM 387 N SER A 28 -13.218 5.589 -0.969 1.00 0.83 N ATOM 388 CA SER A 28 -12.736 4.244 -0.713 1.00 1.35 C ATOM 389 C SER A 28 -12.774 3.433 -2.004 1.00 1.17 C ATOM 390 O SER A 28 -13.393 2.370 -2.078 1.00 1.46 O ATOM 391 CB SER A 28 -13.589 3.580 0.368 1.00 2.09 C ATOM 392 OG SER A 28 -13.695 4.415 1.511 1.00 2.46 O ATOM 0 H SER A 28 -14.231 5.691 -0.903 1.00 0.83 H new ATOM 0 HA SER A 28 -11.706 4.288 -0.358 1.00 1.35 H new ATOM 0 HB2 SER A 28 -14.583 3.368 -0.026 1.00 2.09 H new ATOM 0 HB3 SER A 28 -13.147 2.624 0.650 1.00 2.09 H new ATOM 0 HG SER A 28 -14.246 3.972 2.190 1.00 2.46 H new ATOM 398 N THR A 29 -12.125 3.964 -3.026 1.00 1.02 N ATOM 399 CA THR A 29 -12.105 3.335 -4.331 1.00 1.07 C ATOM 400 C THR A 29 -10.894 2.420 -4.455 1.00 1.17 C ATOM 401 O THR A 29 -9.781 2.805 -4.099 1.00 2.00 O ATOM 402 CB THR A 29 -12.069 4.398 -5.443 1.00 1.24 C ATOM 403 OG1 THR A 29 -13.061 5.402 -5.178 1.00 1.64 O ATOM 404 CG2 THR A 29 -12.326 3.774 -6.808 1.00 1.64 C ATOM 0 H THR A 29 -11.601 4.838 -2.973 1.00 1.02 H new ATOM 0 HA THR A 29 -13.014 2.743 -4.440 1.00 1.07 H new ATOM 0 HB THR A 29 -11.077 4.849 -5.455 1.00 1.24 H new ATOM 0 HG1 THR A 29 -13.037 6.080 -5.885 1.00 1.64 H new ATOM 0 HG21 THR A 29 -12.295 4.549 -7.574 1.00 1.64 H new ATOM 0 HG22 THR A 29 -11.560 3.027 -7.016 1.00 1.64 H new ATOM 0 HG23 THR A 29 -13.307 3.299 -6.812 1.00 1.64 H new ATOM 412 N GLY A 30 -11.116 1.211 -4.941 1.00 0.96 N ATOM 413 CA GLY A 30 -10.031 0.269 -5.087 1.00 1.02 C ATOM 414 C GLY A 30 -9.890 -0.237 -6.506 1.00 1.05 C ATOM 415 O GLY A 30 -10.797 -0.075 -7.328 1.00 1.39 O ATOM 0 H GLY A 30 -12.029 0.865 -5.237 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.099 0.743 -4.779 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -10.195 -0.576 -4.418 1.00 1.02 H new ATOM 419 N GLU A 31 -8.752 -0.848 -6.789 1.00 1.00 N ATOM 420 CA GLU A 31 -8.465 -1.389 -8.099 1.00 1.18 C ATOM 421 C GLU A 31 -8.690 -2.900 -8.105 1.00 0.94 C ATOM 422 O GLU A 31 -9.353 -3.432 -8.992 1.00 1.04 O ATOM 423 CB GLU A 31 -7.031 -1.046 -8.493 1.00 1.63 C ATOM 424 CG GLU A 31 -6.595 -1.704 -9.779 1.00 2.14 C ATOM 425 CD GLU A 31 -7.437 -1.299 -10.972 1.00 2.60 C ATOM 426 OE1 GLU A 31 -7.374 -0.118 -11.371 1.00 2.90 O ATOM 427 OE2 GLU A 31 -8.165 -2.153 -11.515 1.00 3.06 O ATOM 0 H GLU A 31 -8.001 -0.981 -6.112 1.00 1.00 H new ATOM 0 HA GLU A 31 -9.140 -0.945 -8.831 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -6.938 0.035 -8.596 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -6.358 -1.349 -7.691 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -5.553 -1.450 -9.975 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -6.642 -2.786 -9.660 1.00 2.14 H new ATOM 434 N GLU A 32 -8.152 -3.587 -7.107 1.00 0.85 N ATOM 435 CA GLU A 32 -8.351 -5.024 -6.978 1.00 1.01 C ATOM 436 C GLU A 32 -9.518 -5.315 -6.047 1.00 1.08 C ATOM 437 O GLU A 32 -10.267 -6.267 -6.259 1.00 1.36 O ATOM 438 CB GLU A 32 -7.085 -5.713 -6.464 1.00 1.26 C ATOM 439 CG GLU A 32 -5.968 -5.771 -7.489 1.00 1.66 C ATOM 440 CD GLU A 32 -6.285 -6.702 -8.644 1.00 1.90 C ATOM 441 OE1 GLU A 32 -5.709 -7.808 -8.701 1.00 2.09 O ATOM 442 OE2 GLU A 32 -7.120 -6.332 -9.495 1.00 2.44 O ATOM 0 H GLU A 32 -7.575 -3.173 -6.375 1.00 0.85 H new ATOM 0 HA GLU A 32 -8.577 -5.421 -7.967 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -6.728 -5.186 -5.579 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -7.334 -6.727 -6.152 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -5.782 -4.769 -7.875 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -5.050 -6.101 -7.003 1.00 1.66 H new ATOM 449 N SER A 33 -9.682 -4.472 -5.032 1.00 1.06 N ATOM 450 CA SER A 33 -10.751 -4.642 -4.050 1.00 1.37 C ATOM 451 C SER A 33 -12.135 -4.473 -4.680 1.00 1.43 C ATOM 452 O SER A 33 -13.151 -4.704 -4.029 1.00 1.79 O ATOM 453 CB SER A 33 -10.573 -3.654 -2.893 1.00 1.72 C ATOM 454 OG SER A 33 -10.457 -2.324 -3.366 1.00 2.36 O ATOM 0 H SER A 33 -9.086 -3.661 -4.867 1.00 1.06 H new ATOM 0 HA SER A 33 -10.685 -5.660 -3.666 1.00 1.37 H new ATOM 0 HB2 SER A 33 -11.423 -3.728 -2.214 1.00 1.72 H new ATOM 0 HB3 SER A 33 -9.684 -3.918 -2.320 1.00 1.72 H new ATOM 0 HG SER A 33 -9.541 -2.166 -3.675 1.00 2.36 H new ATOM 460 N GLY A 34 -12.171 -4.069 -5.945 1.00 1.39 N ATOM 461 CA GLY A 34 -13.429 -3.969 -6.654 1.00 1.87 C ATOM 462 C GLY A 34 -14.072 -5.328 -6.848 1.00 2.00 C ATOM 463 O GLY A 34 -15.232 -5.532 -6.495 1.00 2.54 O ATOM 0 H GLY A 34 -11.349 -3.809 -6.491 1.00 1.39 H new ATOM 0 HA2 GLY A 34 -14.108 -3.321 -6.101 1.00 1.87 H new ATOM 0 HA3 GLY A 34 -13.263 -3.503 -7.625 1.00 1.87 H new ATOM 467 N LEU A 35 -13.315 -6.259 -7.413 1.00 1.81 N ATOM 468 CA LEU A 35 -13.796 -7.621 -7.612 1.00 2.31 C ATOM 469 C LEU A 35 -13.437 -8.505 -6.420 1.00 2.77 C ATOM 470 O LEU A 35 -14.065 -9.540 -6.188 1.00 3.49 O ATOM 471 CB LEU A 35 -13.207 -8.209 -8.897 1.00 2.32 C ATOM 472 CG LEU A 35 -13.600 -7.485 -10.190 1.00 2.47 C ATOM 473 CD1 LEU A 35 -12.923 -8.129 -11.388 1.00 2.79 C ATOM 474 CD2 LEU A 35 -15.111 -7.487 -10.369 1.00 2.93 C ATOM 0 H LEU A 35 -12.363 -6.096 -7.742 1.00 1.81 H new ATOM 0 HA LEU A 35 -14.882 -7.588 -7.701 1.00 2.31 H new ATOM 0 HB2 LEU A 35 -12.120 -8.205 -8.814 1.00 2.32 H new ATOM 0 HB3 LEU A 35 -13.517 -9.251 -8.975 1.00 2.32 H new ATOM 0 HG LEU A 35 -13.264 -6.450 -10.118 1.00 2.47 H new ATOM 0 HD11 LEU A 35 -13.214 -7.602 -12.297 1.00 2.79 H new ATOM 0 HD12 LEU A 35 -11.841 -8.075 -11.267 1.00 2.79 H new ATOM 0 HD13 LEU A 35 -13.228 -9.173 -11.461 1.00 2.79 H new ATOM 0 HD21 LEU A 35 -15.369 -6.968 -11.292 1.00 2.93 H new ATOM 0 HD22 LEU A 35 -15.470 -8.515 -10.418 1.00 2.93 H new ATOM 0 HD23 LEU A 35 -15.578 -6.979 -9.525 1.00 2.93 H new ATOM 486 N LEU A 36 -12.420 -8.095 -5.674 1.00 2.50 N ATOM 487 CA LEU A 36 -11.959 -8.844 -4.509 1.00 3.01 C ATOM 488 C LEU A 36 -12.821 -8.498 -3.293 1.00 2.81 C ATOM 489 O LEU A 36 -13.315 -7.378 -3.171 1.00 2.34 O ATOM 490 CB LEU A 36 -10.487 -8.512 -4.243 1.00 3.19 C ATOM 491 CG LEU A 36 -9.586 -9.688 -3.851 1.00 4.01 C ATOM 492 CD1 LEU A 36 -8.123 -9.295 -3.988 1.00 4.60 C ATOM 493 CD2 LEU A 36 -9.869 -10.149 -2.430 1.00 4.79 C ATOM 0 H LEU A 36 -11.894 -7.240 -5.856 1.00 2.50 H new ATOM 0 HA LEU A 36 -12.050 -9.913 -4.699 1.00 3.01 H new ATOM 0 HB2 LEU A 36 -10.074 -8.048 -5.139 1.00 3.19 H new ATOM 0 HB3 LEU A 36 -10.442 -7.767 -3.448 1.00 3.19 H new ATOM 0 HG LEU A 36 -9.801 -10.516 -4.526 1.00 4.01 H new ATOM 0 HD11 LEU A 36 -7.492 -10.138 -3.707 1.00 4.60 H new ATOM 0 HD12 LEU A 36 -7.916 -9.016 -5.021 1.00 4.60 H new ATOM 0 HD13 LEU A 36 -7.911 -8.449 -3.334 1.00 4.60 H new ATOM 0 HD21 LEU A 36 -9.214 -10.984 -2.181 1.00 4.79 H new ATOM 0 HD22 LEU A 36 -9.687 -9.327 -1.738 1.00 4.79 H new ATOM 0 HD23 LEU A 36 -10.909 -10.467 -2.351 1.00 4.79 H new ATOM 505 N HIS A 37 -13.000 -9.464 -2.395 1.00 3.51 N ATOM 506 CA HIS A 37 -13.857 -9.284 -1.219 1.00 3.61 C ATOM 507 C HIS A 37 -13.260 -8.315 -0.199 1.00 3.25 C ATOM 508 O HIS A 37 -13.836 -8.099 0.869 1.00 2.95 O ATOM 509 CB HIS A 37 -14.145 -10.625 -0.542 1.00 4.74 C ATOM 510 CG HIS A 37 -15.113 -11.480 -1.294 1.00 5.33 C ATOM 511 ND1 HIS A 37 -16.397 -11.079 -1.583 1.00 5.88 N ATOM 512 CD2 HIS A 37 -14.981 -12.720 -1.819 1.00 5.85 C ATOM 513 CE1 HIS A 37 -17.014 -12.035 -2.249 1.00 6.59 C ATOM 514 NE2 HIS A 37 -16.178 -13.042 -2.407 1.00 6.59 N ATOM 0 H HIS A 37 -12.563 -10.383 -2.457 1.00 3.51 H new ATOM 0 HA HIS A 37 -14.789 -8.851 -1.584 1.00 3.61 H new ATOM 0 HB2 HIS A 37 -13.209 -11.170 -0.422 1.00 4.74 H new ATOM 0 HB3 HIS A 37 -14.537 -10.441 0.458 1.00 4.74 H new ATOM 0 HD1 HIS A 37 -16.807 -10.182 -1.323 1.00 5.88 H new ATOM 0 HD2 HIS A 37 -14.098 -13.341 -1.782 1.00 5.85 H new ATOM 0 HE1 HIS A 37 -18.033 -11.999 -2.605 1.00 6.59 H new ATOM 523 N THR A 38 -12.123 -7.724 -0.526 1.00 3.58 N ATOM 524 CA THR A 38 -11.508 -6.726 0.333 1.00 3.68 C ATOM 525 C THR A 38 -12.206 -5.377 0.182 1.00 3.15 C ATOM 526 O THR A 38 -11.984 -4.453 0.968 1.00 3.20 O ATOM 527 CB THR A 38 -10.009 -6.581 0.019 1.00 4.74 C ATOM 528 OG1 THR A 38 -9.800 -6.604 -1.401 1.00 5.22 O ATOM 529 CG2 THR A 38 -9.213 -7.698 0.672 1.00 5.42 C ATOM 0 H THR A 38 -11.606 -7.919 -1.383 1.00 3.58 H new ATOM 0 HA THR A 38 -11.616 -7.062 1.364 1.00 3.68 H new ATOM 0 HB THR A 38 -9.665 -5.627 0.420 1.00 4.74 H new ATOM 0 HG1 THR A 38 -8.844 -6.509 -1.592 1.00 5.22 H new ATOM 0 HG21 THR A 38 -8.156 -7.576 0.437 1.00 5.42 H new ATOM 0 HG22 THR A 38 -9.352 -7.660 1.752 1.00 5.42 H new ATOM 0 HG23 THR A 38 -9.560 -8.660 0.295 1.00 5.42 H new ATOM 537 N GLY A 39 -13.051 -5.271 -0.837 1.00 2.92 N ATOM 538 CA GLY A 39 -13.810 -4.059 -1.052 1.00 3.07 C ATOM 539 C GLY A 39 -15.236 -4.175 -0.554 1.00 2.65 C ATOM 540 O GLY A 39 -16.015 -3.228 -0.658 1.00 3.27 O ATOM 0 H GLY A 39 -13.223 -6.009 -1.520 1.00 2.92 H new ATOM 0 HA2 GLY A 39 -13.317 -3.230 -0.544 1.00 3.07 H new ATOM 0 HA3 GLY A 39 -13.818 -3.822 -2.116 1.00 3.07 H new ATOM 544 N ASP A 40 -15.582 -5.343 -0.015 1.00 2.12 N ATOM 545 CA ASP A 40 -16.922 -5.567 0.522 1.00 2.43 C ATOM 546 C ASP A 40 -17.155 -4.709 1.753 1.00 2.44 C ATOM 547 O ASP A 40 -18.282 -4.300 2.038 1.00 3.10 O ATOM 548 CB ASP A 40 -17.145 -7.042 0.867 1.00 2.68 C ATOM 549 CG ASP A 40 -17.678 -7.841 -0.303 1.00 3.59 C ATOM 550 OD1 ASP A 40 -18.909 -7.828 -0.528 1.00 4.07 O ATOM 551 OD2 ASP A 40 -16.878 -8.494 -1.003 1.00 4.15 O ATOM 0 H ASP A 40 -14.956 -6.145 0.061 1.00 2.12 H new ATOM 0 HA ASP A 40 -17.637 -5.284 -0.251 1.00 2.43 H new ATOM 0 HB2 ASP A 40 -16.204 -7.479 1.202 1.00 2.68 H new ATOM 0 HB3 ASP A 40 -17.844 -7.114 1.700 1.00 2.68 H new ATOM 556 N VAL A 41 -16.085 -4.436 2.478 1.00 1.88 N ATOM 557 CA VAL A 41 -16.156 -3.565 3.634 1.00 1.83 C ATOM 558 C VAL A 41 -16.116 -2.106 3.207 1.00 1.57 C ATOM 559 O VAL A 41 -15.373 -1.733 2.305 1.00 1.47 O ATOM 560 CB VAL A 41 -15.009 -3.828 4.634 1.00 1.92 C ATOM 561 CG1 VAL A 41 -15.235 -5.135 5.373 1.00 2.58 C ATOM 562 CG2 VAL A 41 -13.663 -3.850 3.925 1.00 1.85 C ATOM 0 H VAL A 41 -15.155 -4.807 2.285 1.00 1.88 H new ATOM 0 HA VAL A 41 -17.101 -3.782 4.132 1.00 1.83 H new ATOM 0 HB VAL A 41 -15.001 -3.013 5.358 1.00 1.92 H new ATOM 0 HG11 VAL A 41 -14.417 -5.303 6.073 1.00 2.58 H new ATOM 0 HG12 VAL A 41 -16.176 -5.085 5.920 1.00 2.58 H new ATOM 0 HG13 VAL A 41 -15.274 -5.956 4.657 1.00 2.58 H new ATOM 0 HG21 VAL A 41 -12.872 -4.037 4.651 1.00 1.85 H new ATOM 0 HG22 VAL A 41 -13.660 -4.640 3.174 1.00 1.85 H new ATOM 0 HG23 VAL A 41 -13.491 -2.889 3.441 1.00 1.85 H new ATOM 572 N LEU A 42 -16.934 -1.291 3.842 1.00 1.77 N ATOM 573 CA LEU A 42 -16.897 0.136 3.634 1.00 1.81 C ATOM 574 C LEU A 42 -16.011 0.776 4.691 1.00 1.47 C ATOM 575 O LEU A 42 -15.824 1.990 4.725 1.00 1.56 O ATOM 576 CB LEU A 42 -18.306 0.704 3.696 1.00 2.42 C ATOM 577 CG LEU A 42 -19.222 0.319 2.530 1.00 2.97 C ATOM 578 CD1 LEU A 42 -20.586 0.968 2.688 1.00 3.50 C ATOM 579 CD2 LEU A 42 -18.598 0.714 1.199 1.00 3.37 C ATOM 0 H LEU A 42 -17.638 -1.600 4.512 1.00 1.77 H new ATOM 0 HA LEU A 42 -16.483 0.354 2.649 1.00 1.81 H new ATOM 0 HB2 LEU A 42 -18.771 0.375 4.625 1.00 2.42 H new ATOM 0 HB3 LEU A 42 -18.240 1.791 3.740 1.00 2.42 H new ATOM 0 HG LEU A 42 -19.349 -0.764 2.541 1.00 2.97 H new ATOM 0 HD11 LEU A 42 -21.223 0.684 1.851 1.00 3.50 H new ATOM 0 HD12 LEU A 42 -21.042 0.635 3.621 1.00 3.50 H new ATOM 0 HD13 LEU A 42 -20.473 2.052 2.706 1.00 3.50 H new ATOM 0 HD21 LEU A 42 -19.266 0.431 0.386 1.00 3.37 H new ATOM 0 HD22 LEU A 42 -18.437 1.792 1.178 1.00 3.37 H new ATOM 0 HD23 LEU A 42 -17.643 0.202 1.079 1.00 3.37 H new ATOM 591 N ASP A 43 -15.459 -0.076 5.547 1.00 1.24 N ATOM 592 CA ASP A 43 -14.581 0.355 6.629 1.00 1.03 C ATOM 593 C ASP A 43 -13.127 0.385 6.189 1.00 0.78 C ATOM 594 O ASP A 43 -12.241 0.650 7.004 1.00 0.77 O ATOM 595 CB ASP A 43 -14.723 -0.564 7.841 1.00 1.22 C ATOM 596 CG ASP A 43 -15.921 -0.222 8.697 1.00 1.63 C ATOM 597 OD1 ASP A 43 -17.043 -0.638 8.343 1.00 2.29 O ATOM 598 OD2 ASP A 43 -15.752 0.465 9.721 1.00 2.03 O ATOM 0 H ASP A 43 -15.607 -1.085 5.511 1.00 1.24 H new ATOM 0 HA ASP A 43 -14.883 1.366 6.903 1.00 1.03 H new ATOM 0 HB2 ASP A 43 -14.808 -1.596 7.501 1.00 1.22 H new ATOM 0 HB3 ASP A 43 -13.819 -0.501 8.447 1.00 1.22 H new ATOM 603 N GLN A 44 -12.883 0.062 4.915 1.00 0.64 N ATOM 604 CA GLN A 44 -11.539 0.116 4.339 1.00 0.45 C ATOM 605 C GLN A 44 -10.807 1.373 4.786 1.00 0.42 C ATOM 606 O GLN A 44 -11.364 2.474 4.763 1.00 0.57 O ATOM 607 CB GLN A 44 -11.587 0.128 2.816 1.00 0.42 C ATOM 608 CG GLN A 44 -12.505 -0.913 2.208 1.00 0.57 C ATOM 609 CD GLN A 44 -12.647 -0.752 0.710 1.00 0.64 C ATOM 610 OE1 GLN A 44 -11.846 -1.482 -0.047 1.00 1.40 O flip ATOM 611 NE2 GLN A 44 -13.493 0.004 0.237 1.00 1.18 N flip ATOM 0 H GLN A 44 -13.605 -0.241 4.261 1.00 0.64 H new ATOM 0 HA GLN A 44 -11.015 -0.774 4.688 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -11.907 1.115 2.483 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.579 -0.026 2.432 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -12.118 -1.908 2.429 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.488 -0.843 2.673 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -14.092 0.550 0.856 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -13.596 0.085 -0.775 1.00 1.18 H new ATOM 620 N VAL A 45 -9.568 1.202 5.177 1.00 0.33 N ATOM 621 CA VAL A 45 -8.750 2.315 5.623 1.00 0.36 C ATOM 622 C VAL A 45 -8.010 2.907 4.443 1.00 0.27 C ATOM 623 O VAL A 45 -7.002 2.367 3.991 1.00 0.33 O ATOM 624 CB VAL A 45 -7.740 1.889 6.710 1.00 0.48 C ATOM 625 CG1 VAL A 45 -6.975 3.093 7.242 1.00 1.19 C ATOM 626 CG2 VAL A 45 -8.448 1.161 7.841 1.00 1.37 C ATOM 0 H VAL A 45 -9.097 0.298 5.197 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.413 3.061 6.061 1.00 0.36 H new ATOM 0 HB VAL A 45 -7.022 1.205 6.257 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -6.270 2.767 8.007 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -6.431 3.568 6.426 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -7.676 3.807 7.675 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -7.720 0.869 8.598 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -9.192 1.820 8.289 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -8.941 0.271 7.449 1.00 1.37 H new ATOM 636 N ALA A 46 -8.540 4.001 3.933 1.00 0.24 N ATOM 637 CA ALA A 46 -7.976 4.653 2.775 1.00 0.21 C ATOM 638 C ALA A 46 -7.124 5.834 3.194 1.00 0.20 C ATOM 639 O ALA A 46 -7.640 6.856 3.650 1.00 0.30 O ATOM 640 CB ALA A 46 -9.086 5.096 1.840 1.00 0.29 C ATOM 0 H ALA A 46 -9.370 4.459 4.310 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.337 3.945 2.247 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.653 5.587 0.968 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.660 4.227 1.519 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.743 5.793 2.360 1.00 0.29 H new ATOM 646 N ILE A 47 -5.823 5.679 3.061 1.00 0.21 N ATOM 647 CA ILE A 47 -4.892 6.749 3.362 1.00 0.21 C ATOM 648 C ILE A 47 -4.110 7.126 2.114 1.00 0.20 C ATOM 649 O ILE A 47 -4.048 6.357 1.153 1.00 0.21 O ATOM 650 CB ILE A 47 -3.916 6.370 4.500 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.288 4.995 4.248 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.629 6.409 5.847 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.302 4.575 5.318 1.00 0.23 C ATOM 0 H ILE A 47 -5.383 4.815 2.744 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.477 7.603 3.702 1.00 0.21 H new ATOM 0 HB ILE A 47 -3.110 7.103 4.520 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -4.080 4.249 4.183 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.781 5.007 3.283 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.928 6.140 6.637 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -5.011 7.414 6.027 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.458 5.701 5.840 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.897 3.593 5.074 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.489 5.300 5.369 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.809 4.530 6.282 1.00 0.23 H new ATOM 665 N GLN A 48 -3.551 8.327 2.121 1.00 0.24 N ATOM 666 CA GLN A 48 -2.768 8.806 0.997 1.00 0.25 C ATOM 667 C GLN A 48 -1.402 8.194 1.000 1.00 0.22 C ATOM 668 O GLN A 48 -0.766 8.014 2.042 1.00 0.36 O ATOM 669 CB GLN A 48 -2.652 10.321 1.003 1.00 0.36 C ATOM 670 CG GLN A 48 -3.712 11.005 0.173 1.00 0.47 C ATOM 671 CD GLN A 48 -3.581 10.722 -1.307 1.00 1.43 C ATOM 672 OE1 GLN A 48 -4.267 9.693 -1.774 1.00 2.38 O flip ATOM 673 NE2 GLN A 48 -2.883 11.431 -2.031 1.00 1.78 N flip ATOM 0 H GLN A 48 -3.627 8.987 2.895 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.291 8.506 0.089 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -2.718 10.679 2.030 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.668 10.605 0.629 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -4.696 10.682 0.513 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -3.656 12.081 0.337 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -2.368 12.216 -1.633 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -2.819 11.233 -3.030 1.00 1.78 H new ATOM 682 N CYS A 49 -0.961 7.905 -0.187 1.00 0.26 N ATOM 683 CA CYS A 49 0.268 7.185 -0.393 1.00 0.25 C ATOM 684 C CYS A 49 1.011 7.761 -1.585 1.00 0.28 C ATOM 685 O CYS A 49 0.445 8.522 -2.373 1.00 0.32 O ATOM 686 CB CYS A 49 -0.034 5.704 -0.622 1.00 0.25 C ATOM 687 SG CYS A 49 -1.085 4.933 0.652 1.00 1.15 S ATOM 0 H CYS A 49 -1.444 8.162 -1.048 1.00 0.26 H new ATOM 0 HA CYS A 49 0.896 7.285 0.492 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -0.521 5.592 -1.591 1.00 0.25 H new ATOM 0 HB3 CYS A 49 0.909 5.159 -0.674 1.00 0.25 H new ATOM 692 N THR A 50 2.278 7.418 -1.701 1.00 0.28 N ATOM 693 CA THR A 50 3.096 7.889 -2.799 1.00 0.36 C ATOM 694 C THR A 50 4.321 6.999 -2.948 1.00 0.38 C ATOM 695 O THR A 50 4.943 6.612 -1.957 1.00 0.45 O ATOM 696 CB THR A 50 3.516 9.363 -2.600 1.00 0.46 C ATOM 697 OG1 THR A 50 4.338 9.802 -3.689 1.00 0.60 O ATOM 698 CG2 THR A 50 4.260 9.548 -1.289 1.00 0.54 C ATOM 0 H THR A 50 2.766 6.810 -1.043 1.00 0.28 H new ATOM 0 HA THR A 50 2.503 7.839 -3.712 1.00 0.36 H new ATOM 0 HB THR A 50 2.608 9.966 -2.571 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.594 10.738 -3.549 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.543 10.594 -1.176 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.615 9.255 -0.460 1.00 0.54 H new ATOM 0 HG23 THR A 50 5.156 8.928 -1.289 1.00 0.54 H new ATOM 706 N GLN A 51 4.648 6.643 -4.176 1.00 0.39 N ATOM 707 CA GLN A 51 5.777 5.777 -4.418 1.00 0.42 C ATOM 708 C GLN A 51 6.801 6.473 -5.306 1.00 0.42 C ATOM 709 O GLN A 51 6.550 6.733 -6.484 1.00 0.58 O ATOM 710 CB GLN A 51 5.306 4.459 -5.041 1.00 0.57 C ATOM 711 CG GLN A 51 6.129 3.262 -4.603 1.00 0.66 C ATOM 712 CD GLN A 51 7.502 3.227 -5.238 1.00 1.01 C ATOM 713 OE1 GLN A 51 7.673 3.621 -6.388 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.494 2.783 -4.481 1.00 0.74 N ATOM 0 H GLN A 51 4.149 6.940 -5.014 1.00 0.39 H new ATOM 0 HA GLN A 51 6.260 5.550 -3.468 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.263 4.291 -4.774 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.348 4.543 -6.127 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.236 3.279 -3.518 1.00 0.66 H new ATOM 0 HG3 GLN A 51 5.594 2.347 -4.856 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.307 2.465 -3.530 1.00 0.74 H new ATOM 0 HE22 GLN A 51 9.445 2.759 -4.849 1.00 0.74 H new ATOM 723 N ILE A 52 7.939 6.809 -4.711 1.00 0.43 N ATOM 724 CA ILE A 52 9.058 7.392 -5.438 1.00 0.50 C ATOM 725 C ILE A 52 9.581 6.387 -6.460 1.00 0.56 C ATOM 726 O ILE A 52 9.837 5.239 -6.105 1.00 0.65 O ATOM 727 CB ILE A 52 10.188 7.789 -4.463 1.00 0.63 C ATOM 728 CG1 ILE A 52 9.663 8.802 -3.445 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.388 8.358 -5.209 1.00 0.85 C ATOM 730 CD1 ILE A 52 10.701 9.249 -2.443 1.00 0.95 C ATOM 0 H ILE A 52 8.111 6.685 -3.713 1.00 0.43 H new ATOM 0 HA ILE A 52 8.716 8.289 -5.954 1.00 0.50 H new ATOM 0 HB ILE A 52 10.519 6.892 -3.939 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.284 9.675 -3.976 1.00 0.72 H new ATOM 0 HG13 ILE A 52 8.820 8.364 -2.911 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.166 8.628 -4.495 1.00 0.85 H new ATOM 0 HG22 ILE A 52 11.774 7.610 -5.901 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.084 9.244 -5.766 1.00 0.85 H new ATOM 0 HD11 ILE A 52 10.256 9.967 -1.754 1.00 0.95 H new ATOM 0 HD12 ILE A 52 11.063 8.386 -1.884 1.00 0.95 H new ATOM 0 HD13 ILE A 52 11.534 9.718 -2.967 1.00 0.95 H new ATOM 742 N PRO A 53 9.767 6.836 -7.727 1.00 0.66 N ATOM 743 CA PRO A 53 10.094 5.982 -8.881 1.00 0.80 C ATOM 744 C PRO A 53 10.952 4.774 -8.530 1.00 0.82 C ATOM 745 O PRO A 53 12.163 4.886 -8.341 1.00 0.87 O ATOM 746 CB PRO A 53 10.866 6.944 -9.777 1.00 0.95 C ATOM 747 CG PRO A 53 10.233 8.275 -9.534 1.00 0.85 C ATOM 748 CD PRO A 53 9.668 8.248 -8.132 1.00 0.70 C ATOM 0 HA PRO A 53 9.203 5.543 -9.329 1.00 0.80 H new ATOM 0 HB2 PRO A 53 11.926 6.957 -9.524 1.00 0.95 H new ATOM 0 HB3 PRO A 53 10.792 6.655 -10.825 1.00 0.95 H new ATOM 0 HG2 PRO A 53 10.966 9.075 -9.639 1.00 0.85 H new ATOM 0 HG3 PRO A 53 9.446 8.466 -10.263 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.235 8.895 -7.462 1.00 0.70 H new ATOM 0 HD3 PRO A 53 8.635 8.596 -8.113 1.00 0.70 H new ATOM 756 N LEU A 54 10.299 3.621 -8.460 1.00 0.90 N ATOM 757 CA LEU A 54 10.915 2.405 -7.960 1.00 0.96 C ATOM 758 C LEU A 54 11.973 1.852 -8.906 1.00 0.90 C ATOM 759 O LEU A 54 11.787 1.814 -10.126 1.00 1.03 O ATOM 760 CB LEU A 54 9.833 1.352 -7.676 1.00 1.27 C ATOM 761 CG LEU A 54 8.922 0.982 -8.858 1.00 1.07 C ATOM 762 CD1 LEU A 54 9.485 -0.198 -9.636 1.00 1.67 C ATOM 763 CD2 LEU A 54 7.514 0.674 -8.370 1.00 1.08 C ATOM 0 H LEU A 54 9.328 3.506 -8.749 1.00 0.90 H new ATOM 0 HA LEU A 54 11.430 2.656 -7.033 1.00 0.96 H new ATOM 0 HB2 LEU A 54 10.322 0.444 -7.323 1.00 1.27 H new ATOM 0 HB3 LEU A 54 9.207 1.715 -6.861 1.00 1.27 H new ATOM 0 HG LEU A 54 8.879 1.839 -9.530 1.00 1.07 H new ATOM 0 HD11 LEU A 54 8.820 -0.437 -10.466 1.00 1.67 H new ATOM 0 HD12 LEU A 54 10.471 0.059 -10.023 1.00 1.67 H new ATOM 0 HD13 LEU A 54 9.568 -1.062 -8.977 1.00 1.67 H new ATOM 0 HD21 LEU A 54 6.883 0.414 -9.220 1.00 1.08 H new ATOM 0 HD22 LEU A 54 7.546 -0.163 -7.672 1.00 1.08 H new ATOM 0 HD23 LEU A 54 7.103 1.550 -7.868 1.00 1.08 H new ATOM 775 N LEU A 55 13.095 1.457 -8.331 1.00 0.88 N ATOM 776 CA LEU A 55 14.119 0.731 -9.052 1.00 0.96 C ATOM 777 C LEU A 55 13.899 -0.763 -8.871 1.00 0.93 C ATOM 778 O LEU A 55 13.588 -1.222 -7.769 1.00 0.85 O ATOM 779 CB LEU A 55 15.509 1.108 -8.535 1.00 1.08 C ATOM 780 CG LEU A 55 15.891 2.584 -8.661 1.00 1.26 C ATOM 781 CD1 LEU A 55 17.272 2.825 -8.076 1.00 1.52 C ATOM 782 CD2 LEU A 55 15.850 3.029 -10.113 1.00 1.58 C ATOM 0 H LEU A 55 13.320 1.632 -7.351 1.00 0.88 H new ATOM 0 HA LEU A 55 14.057 0.990 -10.109 1.00 0.96 H new ATOM 0 HB2 LEU A 55 15.574 0.824 -7.485 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.249 0.514 -9.072 1.00 1.08 H new ATOM 0 HG LEU A 55 15.165 3.173 -8.101 1.00 1.26 H new ATOM 0 HD11 LEU A 55 17.529 3.880 -8.173 1.00 1.52 H new ATOM 0 HD12 LEU A 55 17.274 2.547 -7.022 1.00 1.52 H new ATOM 0 HD13 LEU A 55 18.005 2.222 -8.612 1.00 1.52 H new ATOM 0 HD21 LEU A 55 16.125 4.082 -10.179 1.00 1.58 H new ATOM 0 HD22 LEU A 55 16.552 2.433 -10.696 1.00 1.58 H new ATOM 0 HD23 LEU A 55 14.843 2.892 -10.507 1.00 1.58 H new ATOM 794 N ILE A 56 14.050 -1.522 -9.942 1.00 1.10 N ATOM 795 CA ILE A 56 13.880 -2.960 -9.866 1.00 1.16 C ATOM 796 C ILE A 56 15.048 -3.567 -9.107 1.00 1.07 C ATOM 797 O ILE A 56 16.211 -3.257 -9.373 1.00 1.14 O ATOM 798 CB ILE A 56 13.770 -3.629 -11.256 1.00 1.45 C ATOM 799 CG1 ILE A 56 12.605 -3.048 -12.073 1.00 1.68 C ATOM 800 CG2 ILE A 56 13.592 -5.136 -11.108 1.00 1.58 C ATOM 801 CD1 ILE A 56 12.875 -1.690 -12.688 1.00 2.11 C ATOM 0 H ILE A 56 14.288 -1.168 -10.869 1.00 1.10 H new ATOM 0 HA ILE A 56 12.940 -3.144 -9.345 1.00 1.16 H new ATOM 0 HB ILE A 56 14.697 -3.424 -11.792 1.00 1.45 H new ATOM 0 HG12 ILE A 56 12.354 -3.748 -12.869 1.00 1.68 H new ATOM 0 HG13 ILE A 56 11.730 -2.971 -11.428 1.00 1.68 H new ATOM 0 HG21 ILE A 56 13.516 -5.592 -12.095 1.00 1.58 H new ATOM 0 HG22 ILE A 56 14.449 -5.554 -10.580 1.00 1.58 H new ATOM 0 HG23 ILE A 56 12.683 -5.341 -10.543 1.00 1.58 H new ATOM 0 HD11 ILE A 56 11.997 -1.362 -13.245 1.00 2.11 H new ATOM 0 HD12 ILE A 56 13.095 -0.971 -11.899 1.00 2.11 H new ATOM 0 HD13 ILE A 56 13.728 -1.759 -13.363 1.00 2.11 H new ATOM 813 N GLY A 57 14.728 -4.421 -8.161 1.00 1.03 N ATOM 814 CA GLY A 57 15.739 -4.985 -7.295 1.00 1.00 C ATOM 815 C GLY A 57 15.787 -4.278 -5.956 1.00 0.86 C ATOM 816 O GLY A 57 16.499 -4.703 -5.045 1.00 0.90 O ATOM 0 H GLY A 57 13.778 -4.740 -7.972 1.00 1.03 H new ATOM 0 HA2 GLY A 57 15.536 -6.045 -7.140 1.00 1.00 H new ATOM 0 HA3 GLY A 57 16.713 -4.915 -7.779 1.00 1.00 H new ATOM 820 N ILE A 58 15.029 -3.196 -5.834 1.00 0.77 N ATOM 821 CA ILE A 58 14.978 -2.435 -4.600 1.00 0.66 C ATOM 822 C ILE A 58 13.662 -2.644 -3.860 1.00 0.61 C ATOM 823 O ILE A 58 12.631 -2.965 -4.453 1.00 0.69 O ATOM 824 CB ILE A 58 15.236 -0.931 -4.867 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.662 -0.576 -4.449 1.00 0.72 C ATOM 826 CG2 ILE A 58 14.226 -0.034 -4.156 1.00 0.60 C ATOM 827 CD1 ILE A 58 16.910 -0.720 -2.959 1.00 0.71 C ATOM 0 H ILE A 58 14.440 -2.827 -6.580 1.00 0.77 H new ATOM 0 HA ILE A 58 15.773 -2.807 -3.954 1.00 0.66 H new ATOM 0 HB ILE A 58 15.113 -0.754 -5.935 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.360 -1.216 -4.989 1.00 0.72 H new ATOM 0 HG13 ILE A 58 16.874 0.451 -4.747 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.450 1.010 -4.375 1.00 0.60 H new ATOM 0 HG22 ILE A 58 13.221 -0.271 -4.505 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.286 -0.200 -3.080 1.00 0.60 H new ATOM 0 HD11 ILE A 58 17.942 -0.452 -2.734 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.236 -0.060 -2.413 1.00 0.71 H new ATOM 0 HD13 ILE A 58 16.730 -1.752 -2.658 1.00 0.71 H new ATOM 839 N ALA A 59 13.739 -2.483 -2.551 1.00 0.57 N ATOM 840 CA ALA A 59 12.612 -2.658 -1.658 1.00 0.59 C ATOM 841 C ALA A 59 11.866 -1.340 -1.437 1.00 0.49 C ATOM 842 O ALA A 59 12.457 -0.265 -1.504 1.00 0.50 O ATOM 843 CB ALA A 59 13.134 -3.188 -0.344 1.00 0.68 C ATOM 0 H ALA A 59 14.601 -2.223 -2.073 1.00 0.57 H new ATOM 0 HA ALA A 59 11.905 -3.359 -2.101 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.303 -3.329 0.347 1.00 0.68 H new ATOM 0 HB2 ALA A 59 13.634 -4.142 -0.509 1.00 0.68 H new ATOM 0 HB3 ALA A 59 13.842 -2.476 0.080 1.00 0.68 H new ATOM 849 N ILE A 60 10.575 -1.447 -1.139 1.00 0.46 N ATOM 850 CA ILE A 60 9.699 -0.287 -0.927 1.00 0.42 C ATOM 851 C ILE A 60 10.222 0.636 0.179 1.00 0.40 C ATOM 852 O ILE A 60 10.200 1.858 0.041 1.00 0.39 O ATOM 853 CB ILE A 60 8.268 -0.763 -0.562 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.317 0.417 -0.341 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.301 -1.656 0.672 1.00 0.62 C ATOM 856 CD1 ILE A 60 6.936 1.135 -1.613 1.00 0.69 C ATOM 0 H ILE A 60 10.099 -2.343 -1.036 1.00 0.46 H new ATOM 0 HA ILE A 60 9.681 0.279 -1.858 1.00 0.42 H new ATOM 0 HB ILE A 60 7.889 -1.339 -1.406 1.00 0.53 H new ATOM 0 HG12 ILE A 60 6.412 0.056 0.147 1.00 0.61 H new ATOM 0 HG13 ILE A 60 7.785 1.127 0.340 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.289 -1.980 0.913 1.00 0.62 H new ATOM 0 HG22 ILE A 60 8.924 -2.528 0.473 1.00 0.62 H new ATOM 0 HG23 ILE A 60 8.714 -1.099 1.513 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.261 1.958 -1.378 1.00 0.69 H new ATOM 0 HD12 ILE A 60 7.833 1.527 -2.092 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.438 0.439 -2.288 1.00 0.69 H new ATOM 868 N GLU A 61 10.725 0.042 1.255 1.00 0.49 N ATOM 869 CA GLU A 61 11.097 0.803 2.440 1.00 0.60 C ATOM 870 C GLU A 61 12.508 1.370 2.323 1.00 0.58 C ATOM 871 O GLU A 61 12.918 2.213 3.123 1.00 0.71 O ATOM 872 CB GLU A 61 10.924 -0.046 3.716 1.00 0.83 C ATOM 873 CG GLU A 61 11.377 -1.503 3.610 1.00 0.73 C ATOM 874 CD GLU A 61 12.867 -1.665 3.418 1.00 1.47 C ATOM 875 OE1 GLU A 61 13.306 -1.776 2.261 1.00 2.20 O ATOM 876 OE2 GLU A 61 13.603 -1.704 4.424 1.00 1.82 O ATOM 0 H GLU A 61 10.884 -0.963 1.331 1.00 0.49 H new ATOM 0 HA GLU A 61 10.420 1.654 2.516 1.00 0.60 H new ATOM 0 HB2 GLU A 61 11.479 0.430 4.525 1.00 0.83 H new ATOM 0 HB3 GLU A 61 9.872 -0.032 4.000 1.00 0.83 H new ATOM 0 HG2 GLU A 61 11.076 -2.034 4.513 1.00 0.73 H new ATOM 0 HG3 GLU A 61 10.859 -1.975 2.775 1.00 0.73 H new ATOM 883 N ASP A 62 13.239 0.913 1.321 1.00 0.54 N ATOM 884 CA ASP A 62 14.557 1.454 1.028 1.00 0.60 C ATOM 885 C ASP A 62 14.437 2.519 -0.051 1.00 0.51 C ATOM 886 O ASP A 62 15.147 3.523 -0.039 1.00 0.65 O ATOM 887 CB ASP A 62 15.502 0.342 0.561 1.00 0.75 C ATOM 888 CG ASP A 62 16.940 0.808 0.434 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.761 0.452 1.305 1.00 1.22 O ATOM 890 OD2 ASP A 62 17.261 1.533 -0.530 1.00 1.98 O ATOM 0 H ASP A 62 12.941 0.166 0.694 1.00 0.54 H new ATOM 0 HA ASP A 62 14.968 1.897 1.935 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.455 -0.488 1.265 1.00 0.75 H new ATOM 0 HB3 ASP A 62 15.161 -0.037 -0.402 1.00 0.75 H new ATOM 895 N GLU A 63 13.499 2.294 -0.964 1.00 0.40 N ATOM 896 CA GLU A 63 13.281 3.181 -2.096 1.00 0.40 C ATOM 897 C GLU A 63 12.743 4.529 -1.629 1.00 0.34 C ATOM 898 O GLU A 63 13.153 5.583 -2.122 1.00 0.42 O ATOM 899 CB GLU A 63 12.290 2.526 -3.066 1.00 0.43 C ATOM 900 CG GLU A 63 12.103 3.280 -4.369 1.00 0.64 C ATOM 901 CD GLU A 63 13.392 3.441 -5.144 1.00 1.40 C ATOM 902 OE1 GLU A 63 14.108 4.443 -4.926 1.00 2.09 O ATOM 903 OE2 GLU A 63 13.703 2.567 -5.970 1.00 1.68 O ATOM 0 H GLU A 63 12.870 1.492 -0.939 1.00 0.40 H new ATOM 0 HA GLU A 63 14.231 3.352 -2.602 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.632 1.516 -3.290 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.323 2.433 -2.572 1.00 0.43 H new ATOM 0 HG2 GLU A 63 11.376 2.753 -4.987 1.00 0.64 H new ATOM 0 HG3 GLU A 63 11.687 4.265 -4.157 1.00 0.64 H new ATOM 910 N CYS A 64 11.845 4.497 -0.660 1.00 0.29 N ATOM 911 CA CYS A 64 11.239 5.716 -0.164 1.00 0.32 C ATOM 912 C CYS A 64 11.589 5.910 1.308 1.00 0.40 C ATOM 913 O CYS A 64 11.767 4.939 2.043 1.00 0.60 O ATOM 914 CB CYS A 64 9.719 5.657 -0.345 1.00 0.33 C ATOM 915 SG CYS A 64 8.828 4.865 1.035 1.00 0.47 S ATOM 0 H CYS A 64 11.522 3.644 -0.204 1.00 0.29 H new ATOM 0 HA CYS A 64 11.626 6.562 -0.731 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.340 6.671 -0.472 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.495 5.116 -1.264 1.00 0.33 H new ATOM 920 N LYS A 65 11.702 7.159 1.739 1.00 0.43 N ATOM 921 CA LYS A 65 11.969 7.451 3.139 1.00 0.51 C ATOM 922 C LYS A 65 10.666 7.831 3.843 1.00 0.45 C ATOM 923 O LYS A 65 10.589 8.812 4.583 1.00 0.60 O ATOM 924 CB LYS A 65 13.016 8.567 3.265 1.00 0.69 C ATOM 925 CG LYS A 65 13.573 8.740 4.670 1.00 1.41 C ATOM 926 CD LYS A 65 14.319 7.498 5.124 1.00 1.33 C ATOM 927 CE LYS A 65 14.761 7.609 6.574 1.00 1.77 C ATOM 928 NZ LYS A 65 15.355 6.341 7.070 1.00 2.32 N ATOM 0 H LYS A 65 11.613 7.982 1.142 1.00 0.43 H new ATOM 0 HA LYS A 65 12.375 6.562 3.621 1.00 0.51 H new ATOM 0 HB2 LYS A 65 13.840 8.357 2.583 1.00 0.69 H new ATOM 0 HB3 LYS A 65 12.569 9.508 2.945 1.00 0.69 H new ATOM 0 HG2 LYS A 65 14.244 9.599 4.695 1.00 1.41 H new ATOM 0 HG3 LYS A 65 12.759 8.951 5.363 1.00 1.41 H new ATOM 0 HD2 LYS A 65 13.679 6.624 5.004 1.00 1.33 H new ATOM 0 HD3 LYS A 65 15.191 7.344 4.488 1.00 1.33 H new ATOM 0 HE2 LYS A 65 15.490 8.414 6.671 1.00 1.77 H new ATOM 0 HE3 LYS A 65 13.906 7.877 7.195 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 15.644 6.458 8.062 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 14.652 5.578 7.001 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 16.186 6.098 6.494 1.00 2.32 H new ATOM 942 N ASN A 66 9.635 7.042 3.581 1.00 0.35 N ATOM 943 CA ASN A 66 8.331 7.229 4.205 1.00 0.30 C ATOM 944 C ASN A 66 7.949 5.957 4.942 1.00 0.29 C ATOM 945 O ASN A 66 8.762 5.034 5.046 1.00 0.41 O ATOM 946 CB ASN A 66 7.261 7.562 3.160 1.00 0.36 C ATOM 947 CG ASN A 66 7.463 8.913 2.500 1.00 0.59 C ATOM 948 OD1 ASN A 66 6.971 9.934 2.983 1.00 1.06 O ATOM 949 ND2 ASN A 66 8.171 8.927 1.382 1.00 1.02 N ATOM 0 H ASN A 66 9.677 6.256 2.932 1.00 0.35 H new ATOM 0 HA ASN A 66 8.393 8.064 4.902 1.00 0.30 H new ATOM 0 HB2 ASN A 66 7.260 6.788 2.393 1.00 0.36 H new ATOM 0 HB3 ASN A 66 6.280 7.541 3.636 1.00 0.36 H new ATOM 0 HD21 ASN A 66 8.326 9.806 0.888 1.00 1.02 H new ATOM 0 HD22 ASN A 66 8.562 8.059 1.015 1.00 1.02 H new ATOM 956 N THR A 67 6.723 5.891 5.440 1.00 0.28 N ATOM 957 CA THR A 67 6.279 4.717 6.159 1.00 0.27 C ATOM 958 C THR A 67 5.741 3.669 5.192 1.00 0.25 C ATOM 959 O THR A 67 4.863 3.947 4.375 1.00 0.26 O ATOM 960 CB THR A 67 5.198 5.054 7.200 1.00 0.29 C ATOM 961 OG1 THR A 67 5.592 6.209 7.960 1.00 0.34 O ATOM 962 CG2 THR A 67 4.992 3.871 8.135 1.00 0.31 C ATOM 0 H THR A 67 6.027 6.632 5.358 1.00 0.28 H new ATOM 0 HA THR A 67 7.147 4.320 6.686 1.00 0.27 H new ATOM 0 HB THR A 67 4.263 5.268 6.682 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.898 6.419 8.620 1.00 0.34 H new ATOM 0 HG21 THR A 67 4.225 4.117 8.869 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.676 3.002 7.558 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.927 3.646 8.648 1.00 0.31 H new ATOM 970 N PRO A 68 6.277 2.450 5.279 1.00 0.28 N ATOM 971 CA PRO A 68 5.856 1.338 4.446 1.00 0.30 C ATOM 972 C PRO A 68 4.617 0.664 5.017 1.00 0.25 C ATOM 973 O PRO A 68 4.520 0.442 6.226 1.00 0.28 O ATOM 974 CB PRO A 68 7.060 0.399 4.496 1.00 0.38 C ATOM 975 CG PRO A 68 7.707 0.661 5.820 1.00 0.45 C ATOM 976 CD PRO A 68 7.325 2.061 6.233 1.00 0.38 C ATOM 0 HA PRO A 68 5.584 1.639 3.434 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.751 -0.643 4.408 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.749 0.598 3.675 1.00 0.38 H new ATOM 0 HG2 PRO A 68 7.372 -0.064 6.562 1.00 0.45 H new ATOM 0 HG3 PRO A 68 8.790 0.564 5.745 1.00 0.45 H new ATOM 0 HD2 PRO A 68 6.958 2.086 7.259 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.179 2.737 6.183 1.00 0.38 H new ATOM 984 N THR A 69 3.661 0.353 4.165 1.00 0.23 N ATOM 985 CA THR A 69 2.430 -0.259 4.620 1.00 0.21 C ATOM 986 C THR A 69 2.046 -1.444 3.739 1.00 0.23 C ATOM 987 O THR A 69 2.394 -1.491 2.559 1.00 0.29 O ATOM 988 CB THR A 69 1.269 0.759 4.623 1.00 0.24 C ATOM 989 OG1 THR A 69 1.099 1.309 3.316 1.00 0.31 O ATOM 990 CG2 THR A 69 1.508 1.890 5.615 1.00 0.30 C ATOM 0 H THR A 69 3.712 0.513 3.159 1.00 0.23 H new ATOM 0 HA THR A 69 2.606 -0.608 5.638 1.00 0.21 H new ATOM 0 HB THR A 69 0.368 0.225 4.926 1.00 0.24 H new ATOM 0 HG1 THR A 69 1.973 1.560 2.950 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.668 2.584 5.585 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.603 1.479 6.620 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.424 2.418 5.351 1.00 0.30 H new ATOM 998 N CYS A 70 1.355 -2.408 4.332 1.00 0.23 N ATOM 999 CA CYS A 70 0.776 -3.510 3.583 1.00 0.27 C ATOM 1000 C CYS A 70 -0.671 -3.178 3.268 1.00 0.22 C ATOM 1001 O CYS A 70 -1.492 -3.025 4.175 1.00 0.27 O ATOM 1002 CB CYS A 70 0.849 -4.815 4.380 1.00 0.38 C ATOM 1003 SG CYS A 70 0.056 -6.240 3.553 1.00 1.26 S ATOM 0 H CYS A 70 1.182 -2.447 5.336 1.00 0.23 H new ATOM 0 HA CYS A 70 1.340 -3.649 2.661 1.00 0.27 H new ATOM 0 HB2 CYS A 70 1.895 -5.055 4.569 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.376 -4.663 5.350 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.974 -3.034 1.994 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.308 -2.664 1.567 1.00 0.19 C ATOM 1010 C CYS A 71 -3.048 -3.862 1.017 1.00 0.21 C ATOM 1011 O CYS A 71 -2.504 -4.657 0.250 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.233 -1.570 0.507 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.293 -0.100 1.025 1.00 0.29 S ATOM 0 H CYS A 71 -0.310 -3.169 1.232 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.853 -2.289 2.433 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.777 -1.982 -0.393 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.245 -1.266 0.241 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.296 -3.982 1.428 1.00 0.22 N ATOM 1019 CA GLU A 72 -5.180 -5.008 0.922 1.00 0.24 C ATOM 1020 C GLU A 72 -5.543 -4.709 -0.529 1.00 0.25 C ATOM 1021 O GLU A 72 -5.984 -5.583 -1.274 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.422 -5.080 1.800 1.00 0.27 C ATOM 1023 CG GLU A 72 -6.162 -5.716 3.149 1.00 1.10 C ATOM 1024 CD GLU A 72 -7.356 -6.481 3.671 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -8.329 -5.842 4.110 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -7.323 -7.730 3.640 1.00 1.37 O ATOM 0 H GLU A 72 -4.723 -3.369 2.123 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.681 -5.977 0.950 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -6.813 -4.073 1.949 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -7.194 -5.648 1.281 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -5.309 -6.390 3.070 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -5.890 -4.941 3.866 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.352 -3.451 -0.905 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.498 -2.998 -2.282 1.00 0.24 C ATOM 1035 C ASP A 73 -4.960 -1.579 -2.386 1.00 0.22 C ATOM 1036 O ASP A 73 -4.800 -0.914 -1.369 1.00 0.19 O ATOM 1037 CB ASP A 73 -6.954 -3.035 -2.726 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.092 -2.751 -4.202 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.154 -2.259 -4.611 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -6.136 -3.019 -4.960 1.00 1.03 O ATOM 0 H ASP A 73 -5.089 -2.709 -0.256 1.00 0.21 H new ATOM 0 HA ASP A 73 -4.937 -3.666 -2.936 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.379 -4.014 -2.502 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.527 -2.301 -2.159 1.00 0.29 H new ATOM 1045 N VAL A 74 -4.652 -1.121 -3.594 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.172 0.244 -3.794 1.00 0.30 C ATOM 1047 C VAL A 74 -4.691 0.780 -5.124 1.00 0.43 C ATOM 1048 O VAL A 74 -4.690 0.068 -6.128 1.00 0.68 O ATOM 1049 CB VAL A 74 -2.623 0.360 -3.783 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.206 1.756 -3.369 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -1.978 -0.665 -2.866 1.00 1.07 C ATOM 0 H VAL A 74 -4.725 -1.672 -4.449 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.550 0.829 -2.956 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.277 0.159 -4.797 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.118 1.825 -3.365 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -2.613 2.481 -4.074 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.586 1.968 -2.370 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -0.895 -0.545 -2.891 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.336 -0.518 -1.847 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.240 -1.669 -3.201 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.144 2.025 -5.120 1.00 0.33 N ATOM 1062 CA GLU A 75 -5.660 2.668 -6.320 1.00 0.46 C ATOM 1063 C GLU A 75 -4.602 3.596 -6.915 1.00 0.50 C ATOM 1064 O GLU A 75 -3.655 3.998 -6.224 1.00 0.45 O ATOM 1065 CB GLU A 75 -6.933 3.454 -5.987 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.098 3.192 -6.936 1.00 0.98 C ATOM 1067 CD GLU A 75 -7.864 3.727 -8.334 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -8.375 4.820 -8.653 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -7.160 3.064 -9.123 1.00 1.85 O ATOM 0 H GLU A 75 -5.164 2.616 -4.289 1.00 0.33 H new ATOM 0 HA GLU A 75 -5.904 1.902 -7.056 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -7.244 3.207 -4.972 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -6.702 4.519 -5.999 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -8.279 2.118 -6.991 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -9.000 3.647 -6.527 1.00 0.98 H new ATOM 1076 N ASP A 76 -4.776 3.933 -8.191 1.00 0.61 N ATOM 1077 CA ASP A 76 -3.828 4.763 -8.934 1.00 0.65 C ATOM 1078 C ASP A 76 -2.481 4.048 -9.010 1.00 0.67 C ATOM 1079 O ASP A 76 -2.422 2.819 -8.944 1.00 0.69 O ATOM 1080 CB ASP A 76 -3.669 6.146 -8.279 1.00 0.61 C ATOM 1081 CG ASP A 76 -3.303 7.227 -9.278 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -2.120 7.306 -9.669 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -4.193 8.000 -9.680 1.00 1.15 O ATOM 0 H ASP A 76 -5.582 3.637 -8.742 1.00 0.61 H new ATOM 0 HA ASP A 76 -4.213 4.919 -9.942 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -4.600 6.417 -7.781 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -2.899 6.093 -7.509 1.00 0.61 H new ATOM 1088 N ASP A 77 -1.401 4.802 -9.138 1.00 0.70 N ATOM 1089 CA ASP A 77 -0.059 4.229 -9.076 1.00 0.77 C ATOM 1090 C ASP A 77 0.359 3.992 -7.631 1.00 0.67 C ATOM 1091 O ASP A 77 1.548 3.940 -7.313 1.00 0.81 O ATOM 1092 CB ASP A 77 0.961 5.131 -9.774 1.00 0.89 C ATOM 1093 CG ASP A 77 0.954 4.957 -11.277 1.00 1.36 C ATOM 1094 OD1 ASP A 77 1.603 4.017 -11.775 1.00 1.59 O ATOM 1095 OD2 ASP A 77 0.302 5.765 -11.971 1.00 2.12 O ATOM 0 H ASP A 77 -1.423 5.811 -9.285 1.00 0.70 H new ATOM 0 HA ASP A 77 -0.085 3.272 -9.597 1.00 0.77 H new ATOM 0 HB2 ASP A 77 0.747 6.172 -9.531 1.00 0.89 H new ATOM 0 HB3 ASP A 77 1.958 4.912 -9.391 1.00 0.89 H new ATOM 1100 N GLY A 78 -0.625 3.857 -6.755 1.00 0.51 N ATOM 1101 CA GLY A 78 -0.347 3.622 -5.360 1.00 0.44 C ATOM 1102 C GLY A 78 -0.585 4.849 -4.510 1.00 0.33 C ATOM 1103 O GLY A 78 0.005 4.992 -3.448 1.00 0.35 O ATOM 0 H GLY A 78 -1.616 3.907 -6.991 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -0.974 2.807 -5.000 1.00 0.44 H new ATOM 0 HA3 GLY A 78 0.689 3.301 -5.248 1.00 0.44 H new ATOM 1107 N LEU A 79 -1.427 5.750 -4.999 1.00 0.27 N ATOM 1108 CA LEU A 79 -1.736 6.979 -4.281 1.00 0.22 C ATOM 1109 C LEU A 79 -2.736 6.728 -3.165 1.00 0.19 C ATOM 1110 O LEU A 79 -2.706 7.388 -2.135 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.333 8.018 -5.226 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.368 8.728 -6.186 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -0.616 9.834 -5.464 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -0.379 7.761 -6.824 1.00 0.94 C ATOM 0 H LEU A 79 -1.909 5.652 -5.892 1.00 0.27 H new ATOM 0 HA LEU A 79 -0.800 7.346 -3.859 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.104 7.530 -5.822 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.830 8.778 -4.623 1.00 0.26 H new ATOM 0 HG LEU A 79 -1.972 9.161 -6.984 1.00 0.32 H new ATOM 0 HD11 LEU A 79 0.063 10.326 -6.160 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -1.327 10.563 -5.074 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -0.045 9.407 -4.640 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.283 8.308 -7.495 1.00 0.94 H new ATOM 0 HD22 LEU A 79 0.212 7.278 -6.045 1.00 0.94 H new ATOM 0 HD23 LEU A 79 -0.923 7.004 -7.389 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.634 5.787 -3.385 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.719 5.546 -2.443 1.00 0.20 C ATOM 1128 C VAL A 80 -4.702 4.102 -1.991 1.00 0.20 C ATOM 1129 O VAL A 80 -5.028 3.202 -2.760 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.097 5.871 -3.062 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.217 5.626 -2.059 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.133 7.305 -3.566 1.00 0.33 C ATOM 0 H VAL A 80 -3.637 5.177 -4.203 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.564 6.206 -1.589 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.252 5.204 -3.910 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.176 5.862 -2.520 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.209 4.580 -1.753 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.068 6.260 -1.185 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.112 7.514 -3.998 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -5.950 7.987 -2.736 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.364 7.443 -4.326 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.314 3.880 -0.753 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.198 2.532 -0.265 1.00 0.21 C ATOM 1144 C GLY A 81 -5.418 2.089 0.506 1.00 0.20 C ATOM 1145 O GLY A 81 -5.998 2.859 1.270 1.00 0.26 O ATOM 0 H GLY A 81 -4.078 4.607 -0.078 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.039 1.857 -1.106 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.320 2.455 0.376 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.808 0.845 0.293 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.931 0.258 0.984 1.00 0.17 C ATOM 1151 C ILE A 82 -6.428 -0.662 2.077 1.00 0.17 C ATOM 1152 O ILE A 82 -5.737 -1.645 1.804 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.848 -0.543 0.026 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.759 0.391 -0.776 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.677 -1.563 0.790 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.020 1.269 -1.755 1.00 0.30 C ATOM 0 H ILE A 82 -5.351 0.216 -0.367 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.518 1.072 1.410 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.206 -1.077 -0.674 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.490 -0.208 -1.319 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.316 1.023 -0.084 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.312 -2.111 0.094 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -8.014 -2.260 1.303 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.301 -1.050 1.522 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -8.732 1.902 -2.285 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.308 1.895 -1.217 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.485 0.645 -2.471 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.750 -0.309 3.308 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.432 -1.145 4.463 1.00 0.21 C ATOM 1170 C ASN A 83 -4.924 -1.306 4.615 1.00 0.22 C ATOM 1171 O ASN A 83 -4.423 -2.391 4.910 1.00 0.29 O ATOM 1172 CB ASN A 83 -7.128 -2.511 4.335 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.627 -2.400 4.544 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -9.101 -1.493 5.224 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.383 -3.325 3.982 1.00 0.29 N ATOM 0 H ASN A 83 -7.236 0.557 3.540 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.803 -0.655 5.363 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.928 -2.930 3.349 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.709 -3.203 5.066 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.395 -3.301 4.106 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.955 -4.064 3.424 1.00 0.29 H new ATOM 1182 N CYS A 84 -4.209 -0.206 4.410 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.755 -0.202 4.501 1.00 0.23 C ATOM 1184 C CYS A 84 -2.298 -0.121 5.948 1.00 0.25 C ATOM 1185 O CYS A 84 -2.475 0.901 6.610 1.00 0.33 O ATOM 1186 CB CYS A 84 -2.176 0.973 3.719 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.685 1.023 1.978 1.00 0.81 S ATOM 0 H CYS A 84 -4.616 0.700 4.178 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.393 -1.136 4.072 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.478 1.902 4.202 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -1.088 0.928 3.768 1.00 0.26 H new ATOM 1192 N THR A 85 -1.721 -1.202 6.437 1.00 0.25 N ATOM 1193 CA THR A 85 -1.179 -1.237 7.783 1.00 0.28 C ATOM 1194 C THR A 85 0.342 -1.138 7.739 1.00 0.24 C ATOM 1195 O THR A 85 0.997 -1.829 6.958 1.00 0.23 O ATOM 1196 CB THR A 85 -1.609 -2.527 8.508 1.00 0.36 C ATOM 1197 OG1 THR A 85 -3.030 -2.683 8.404 1.00 0.43 O ATOM 1198 CG2 THR A 85 -1.215 -2.484 9.974 1.00 0.44 C ATOM 0 H THR A 85 -1.615 -2.074 5.918 1.00 0.25 H new ATOM 0 HA THR A 85 -1.572 -0.384 8.337 1.00 0.28 H new ATOM 0 HB THR A 85 -1.104 -3.370 8.037 1.00 0.36 H new ATOM 0 HG1 THR A 85 -3.303 -3.504 8.864 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.530 -3.406 10.463 1.00 0.44 H new ATOM 0 HG22 THR A 85 -0.133 -2.381 10.057 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.699 -1.634 10.456 1.00 0.44 H new ATOM 1206 N PRO A 86 0.912 -0.255 8.570 1.00 0.26 N ATOM 1207 CA PRO A 86 2.332 0.017 8.578 1.00 0.28 C ATOM 1208 C PRO A 86 3.143 -1.191 9.016 1.00 0.33 C ATOM 1209 O PRO A 86 2.856 -1.806 10.044 1.00 0.39 O ATOM 1210 CB PRO A 86 2.500 1.184 9.543 1.00 0.37 C ATOM 1211 CG PRO A 86 1.219 1.333 10.269 1.00 0.35 C ATOM 1212 CD PRO A 86 0.192 0.516 9.576 1.00 0.29 C ATOM 0 HA PRO A 86 2.700 0.254 7.580 1.00 0.28 H new ATOM 0 HB2 PRO A 86 3.318 0.995 10.238 1.00 0.37 H new ATOM 0 HB3 PRO A 86 2.746 2.098 9.003 1.00 0.37 H new ATOM 0 HG2 PRO A 86 1.329 1.007 11.303 1.00 0.35 H new ATOM 0 HG3 PRO A 86 0.917 2.380 10.295 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.324 -0.140 10.277 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.566 1.149 9.115 1.00 0.29 H new ATOM 1220 N ILE A 87 4.141 -1.534 8.223 1.00 0.37 N ATOM 1221 CA ILE A 87 4.907 -2.737 8.437 1.00 0.47 C ATOM 1222 C ILE A 87 6.289 -2.434 9.005 1.00 0.57 C ATOM 1223 O ILE A 87 6.881 -1.394 8.705 1.00 0.56 O ATOM 1224 CB ILE A 87 5.055 -3.523 7.124 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.439 -2.588 5.973 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.764 -4.259 6.810 1.00 0.53 C ATOM 1227 CD1 ILE A 87 5.816 -3.308 4.698 1.00 0.49 C ATOM 0 H ILE A 87 4.439 -0.985 7.416 1.00 0.37 H new ATOM 0 HA ILE A 87 4.363 -3.339 9.164 1.00 0.47 H new ATOM 0 HB ILE A 87 5.854 -4.255 7.244 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.603 -1.919 5.767 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.276 -1.965 6.288 1.00 0.41 H new ATOM 0 HG21 ILE A 87 3.878 -4.813 5.878 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.535 -4.953 7.619 1.00 0.53 H new ATOM 0 HG23 ILE A 87 2.951 -3.540 6.707 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.075 -2.578 3.931 1.00 0.49 H new ATOM 0 HD12 ILE A 87 6.672 -3.956 4.886 1.00 0.49 H new ATOM 0 HD13 ILE A 87 4.973 -3.909 4.357 1.00 0.49 H new ATOM 1239 N PRO A 88 6.804 -3.338 9.853 1.00 0.73 N ATOM 1240 CA PRO A 88 8.148 -3.234 10.417 1.00 0.86 C ATOM 1241 C PRO A 88 9.223 -3.572 9.396 1.00 0.92 C ATOM 1242 O PRO A 88 8.950 -4.186 8.365 1.00 0.96 O ATOM 1243 CB PRO A 88 8.153 -4.283 11.538 1.00 1.05 C ATOM 1244 CG PRO A 88 6.742 -4.714 11.697 1.00 1.04 C ATOM 1245 CD PRO A 88 6.124 -4.537 10.349 1.00 0.85 C ATOM 0 HA PRO A 88 8.365 -2.221 10.756 1.00 0.86 H new ATOM 0 HB2 PRO A 88 8.793 -5.127 11.280 1.00 1.05 H new ATOM 0 HB3 PRO A 88 8.540 -3.862 12.466 1.00 1.05 H new ATOM 0 HG2 PRO A 88 6.682 -5.752 12.024 1.00 1.04 H new ATOM 0 HG3 PRO A 88 6.229 -4.113 12.447 1.00 1.04 H new ATOM 0 HD2 PRO A 88 6.297 -5.399 9.705 1.00 0.85 H new ATOM 0 HD3 PRO A 88 5.045 -4.397 10.411 1.00 0.85 H new ATOM 1253 N LEU A 89 10.448 -3.184 9.705 1.00 1.01 N ATOM 1254 CA LEU A 89 11.584 -3.446 8.833 1.00 1.13 C ATOM 1255 C LEU A 89 12.300 -4.717 9.272 1.00 1.31 C ATOM 1256 O LEU A 89 13.473 -4.924 8.962 1.00 1.45 O ATOM 1257 CB LEU A 89 12.562 -2.270 8.881 1.00 1.16 C ATOM 1258 CG LEU A 89 11.942 -0.891 8.633 1.00 1.10 C ATOM 1259 CD1 LEU A 89 12.995 0.198 8.755 1.00 1.23 C ATOM 1260 CD2 LEU A 89 11.279 -0.838 7.265 1.00 1.13 C ATOM 0 H LEU A 89 10.684 -2.682 10.561 1.00 1.01 H new ATOM 0 HA LEU A 89 11.219 -3.573 7.814 1.00 1.13 H new ATOM 0 HB2 LEU A 89 13.047 -2.262 9.857 1.00 1.16 H new ATOM 0 HB3 LEU A 89 13.343 -2.438 8.139 1.00 1.16 H new ATOM 0 HG LEU A 89 11.178 -0.719 9.392 1.00 1.10 H new ATOM 0 HD11 LEU A 89 12.536 1.170 8.576 1.00 1.23 H new ATOM 0 HD12 LEU A 89 13.424 0.179 9.757 1.00 1.23 H new ATOM 0 HD13 LEU A 89 13.782 0.027 8.020 1.00 1.23 H new ATOM 0 HD21 LEU A 89 10.845 0.150 7.109 1.00 1.13 H new ATOM 0 HD22 LEU A 89 12.023 -1.034 6.492 1.00 1.13 H new ATOM 0 HD23 LEU A 89 10.494 -1.592 7.212 1.00 1.13 H new ATOM 1272 N ILE A 90 11.584 -5.565 9.991 1.00 1.37 N ATOM 1273 CA ILE A 90 12.181 -6.727 10.620 1.00 1.60 C ATOM 1274 C ILE A 90 11.371 -7.995 10.358 1.00 1.73 C ATOM 1275 O ILE A 90 11.844 -8.844 9.573 1.00 2.31 O ATOM 1276 CB ILE A 90 12.352 -6.504 12.137 1.00 1.67 C ATOM 1277 CG1 ILE A 90 11.102 -5.839 12.731 1.00 1.60 C ATOM 1278 CG2 ILE A 90 13.587 -5.654 12.398 1.00 1.68 C ATOM 1279 CD1 ILE A 90 11.172 -5.627 14.228 1.00 1.78 C ATOM 1280 OXT ILE A 90 10.267 -8.140 10.924 1.00 1.86 O ATOM 0 H ILE A 90 10.582 -5.468 10.153 1.00 1.37 H new ATOM 0 HA ILE A 90 13.165 -6.864 10.172 1.00 1.60 H new ATOM 0 HB ILE A 90 12.481 -7.471 12.622 1.00 1.67 H new ATOM 0 HG12 ILE A 90 10.949 -4.876 12.244 1.00 1.60 H new ATOM 0 HG13 ILE A 90 10.232 -6.454 12.501 1.00 1.60 H new ATOM 0 HG21 ILE A 90 13.703 -5.500 13.471 1.00 1.68 H new ATOM 0 HG22 ILE A 90 14.468 -6.163 12.008 1.00 1.68 H new ATOM 0 HG23 ILE A 90 13.476 -4.689 11.903 1.00 1.68 H new ATOM 0 HD11 ILE A 90 10.253 -5.153 14.572 1.00 1.78 H new ATOM 0 HD12 ILE A 90 11.293 -6.589 14.726 1.00 1.78 H new ATOM 0 HD13 ILE A 90 12.021 -4.986 14.465 1.00 1.78 H new TER 1292 ILE A 90