USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 423 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 Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.013) USER MOD Single : A 93 LYS NZ :NH3+ 163:sc=-0.00953 (180deg=-0.133) USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.153) USER MOD Single : A 98 CYS SG : rot 180:sc= -0.324 USER MOD Single : A 99 SER OG : rot 109:sc= 0.28 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 CYS SG : rot -10:sc= -2.28! USER MOD Single : A 127 TYR OH : rot 109:sc= 1.66 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 130 TYR OH : rot -127:sc= 0.443 USER MOD Single : A 132 ASN : amide:sc= -0.28 K(o=-0.28,f=-1.4!) USER MOD Single : A 136 GLN : amide:sc= -0.956 X(o=-0.96,f=-0.96) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 90 -5.408 9.140 -7.878 1.00 7.42 N ATOM 2 CA GLN A 90 -5.652 10.508 -7.428 1.00 8.00 C ATOM 3 C GLN A 90 -5.375 10.635 -5.932 1.00 8.02 C ATOM 4 O GLN A 90 -6.285 10.507 -5.114 1.00 8.02 O ATOM 5 CB GLN A 90 -7.096 10.917 -7.725 1.00 8.61 C ATOM 6 CG GLN A 90 -7.211 12.203 -8.526 1.00 9.27 C ATOM 7 CD GLN A 90 -6.846 13.430 -7.713 1.00 9.99 C ATOM 8 OE1 GLN A 90 -5.756 13.982 -7.856 1.00 10.31 O ATOM 9 NE2 GLN A 90 -7.760 13.860 -6.852 1.00 10.47 N ATOM 0 HA GLN A 90 -4.978 11.172 -7.969 1.00 8.00 H new ATOM 0 HB2 GLN A 90 -7.587 10.113 -8.272 1.00 8.61 H new ATOM 0 HB3 GLN A 90 -7.632 11.036 -6.783 1.00 8.61 H new ATOM 0 HG2 GLN A 90 -6.560 12.143 -9.398 1.00 9.27 H new ATOM 0 HG3 GLN A 90 -8.231 12.307 -8.896 1.00 9.27 H new ATOM 0 HE21 GLN A 90 -8.651 13.370 -6.767 1.00 10.47 H new ATOM 0 HE22 GLN A 90 -7.572 14.680 -6.275 1.00 10.47 H new ATOM 18 N GLN A 91 -4.111 10.881 -5.588 1.00 8.30 N ATOM 19 CA GLN A 91 -3.699 11.020 -4.191 1.00 8.58 C ATOM 20 C GLN A 91 -3.868 9.700 -3.443 1.00 7.86 C ATOM 21 O GLN A 91 -4.903 9.043 -3.544 1.00 7.55 O ATOM 22 CB GLN A 91 -4.503 12.123 -3.496 1.00 9.49 C ATOM 23 CG GLN A 91 -4.156 12.295 -2.024 1.00 9.88 C ATOM 24 CD GLN A 91 -3.437 13.599 -1.740 1.00 10.82 C ATOM 25 OE1 GLN A 91 -3.753 14.299 -0.778 1.00 11.18 O ATOM 26 NE2 GLN A 91 -2.464 13.935 -2.579 1.00 11.40 N ATOM 0 H GLN A 91 -3.352 10.989 -6.261 1.00 8.30 H new ATOM 0 HA GLN A 91 -2.644 11.295 -4.178 1.00 8.58 H new ATOM 0 HB2 GLN A 91 -4.332 13.067 -4.014 1.00 9.49 H new ATOM 0 HB3 GLN A 91 -5.566 11.898 -3.586 1.00 9.49 H new ATOM 0 HG2 GLN A 91 -5.070 12.253 -1.432 1.00 9.88 H new ATOM 0 HG3 GLN A 91 -3.530 11.462 -1.703 1.00 9.88 H new ATOM 0 HE21 GLN A 91 -2.234 13.326 -3.364 1.00 11.40 H new ATOM 0 HE22 GLN A 91 -1.946 14.803 -2.438 1.00 11.40 H new ATOM 35 N TRP A 92 -2.841 9.315 -2.693 1.00 7.74 N ATOM 36 CA TRP A 92 -2.878 8.073 -1.931 1.00 7.12 C ATOM 37 C TRP A 92 -3.712 8.233 -0.666 1.00 7.81 C ATOM 38 O TRP A 92 -3.372 9.015 0.222 1.00 8.60 O ATOM 39 CB TRP A 92 -1.460 7.622 -1.579 1.00 6.73 C ATOM 40 CG TRP A 92 -0.660 7.189 -2.772 1.00 6.11 C ATOM 41 CD1 TRP A 92 0.606 7.585 -3.098 1.00 6.47 C ATOM 42 CD2 TRP A 92 -1.073 6.278 -3.800 1.00 5.26 C ATOM 43 NE1 TRP A 92 1.004 6.976 -4.264 1.00 5.95 N ATOM 44 CE2 TRP A 92 -0.008 6.170 -4.714 1.00 5.17 C ATOM 45 CE3 TRP A 92 -2.239 5.541 -4.036 1.00 4.81 C ATOM 46 CZ2 TRP A 92 -0.074 5.357 -5.843 1.00 4.65 C ATOM 47 CZ3 TRP A 92 -2.303 4.736 -5.157 1.00 4.27 C ATOM 48 CH2 TRP A 92 -1.225 4.648 -6.048 1.00 4.18 C ATOM 0 H TRP A 92 -1.974 9.844 -2.597 1.00 7.74 H new ATOM 0 HA TRP A 92 -3.346 7.309 -2.552 1.00 7.12 H new ATOM 0 HB2 TRP A 92 -0.940 8.439 -1.079 1.00 6.73 H new ATOM 0 HB3 TRP A 92 -1.515 6.797 -0.868 1.00 6.73 H new ATOM 0 HD1 TRP A 92 1.206 8.275 -2.524 1.00 6.47 H new ATOM 0 HE1 TRP A 92 1.907 7.104 -4.721 1.00 5.95 H new ATOM 0 HE3 TRP A 92 -3.074 5.600 -3.354 1.00 4.81 H new ATOM 0 HZ2 TRP A 92 0.755 5.289 -6.532 1.00 4.65 H new ATOM 0 HZ3 TRP A 92 -3.199 4.165 -5.350 1.00 4.27 H new ATOM 0 HH2 TRP A 92 -1.305 4.007 -6.914 1.00 4.18 H new ATOM 59 N LYS A 93 -4.804 7.479 -0.590 1.00 7.67 N ATOM 60 CA LYS A 93 -5.693 7.529 0.566 1.00 8.46 C ATOM 61 C LYS A 93 -6.233 6.139 0.890 1.00 8.08 C ATOM 62 O LYS A 93 -6.100 5.212 0.091 1.00 7.25 O ATOM 63 CB LYS A 93 -6.849 8.495 0.310 1.00 9.25 C ATOM 64 CG LYS A 93 -6.650 9.860 0.948 1.00 10.03 C ATOM 65 CD LYS A 93 -7.933 10.371 1.584 1.00 10.80 C ATOM 66 CE LYS A 93 -7.717 10.757 3.038 1.00 11.72 C ATOM 67 NZ LYS A 93 -6.711 11.846 3.181 1.00 12.39 N ATOM 0 H LYS A 93 -5.095 6.825 -1.316 1.00 7.67 H new ATOM 0 HA LYS A 93 -5.120 7.887 1.421 1.00 8.46 H new ATOM 0 HB2 LYS A 93 -6.976 8.620 -0.765 1.00 9.25 H new ATOM 0 HB3 LYS A 93 -7.771 8.055 0.691 1.00 9.25 H new ATOM 0 HG2 LYS A 93 -5.867 9.799 1.704 1.00 10.03 H new ATOM 0 HG3 LYS A 93 -6.309 10.569 0.194 1.00 10.03 H new ATOM 0 HD2 LYS A 93 -8.298 11.234 1.027 1.00 10.80 H new ATOM 0 HD3 LYS A 93 -8.703 9.602 1.521 1.00 10.80 H new ATOM 0 HE2 LYS A 93 -8.664 11.078 3.473 1.00 11.72 H new ATOM 0 HE3 LYS A 93 -7.388 9.883 3.600 1.00 11.72 H new ATOM 0 HZ1 LYS A 93 -6.796 12.276 4.124 1.00 12.39 H new ATOM 0 HZ2 LYS A 93 -5.755 11.453 3.065 1.00 12.39 H new ATOM 0 HZ3 LYS A 93 -6.878 12.571 2.454 1.00 12.39 H new ATOM 81 N VAL A 94 -6.836 6.001 2.065 1.00 8.81 N ATOM 82 CA VAL A 94 -7.389 4.722 2.494 1.00 8.73 C ATOM 83 C VAL A 94 -8.462 4.233 1.527 1.00 8.69 C ATOM 84 O VAL A 94 -9.495 4.878 1.346 1.00 9.36 O ATOM 85 CB VAL A 94 -7.988 4.809 3.910 1.00 9.74 C ATOM 86 CG1 VAL A 94 -8.317 3.421 4.437 1.00 9.66 C ATOM 87 CG2 VAL A 94 -7.038 5.532 4.851 1.00 10.15 C ATOM 0 H VAL A 94 -6.954 6.759 2.737 1.00 8.81 H new ATOM 0 HA VAL A 94 -6.562 4.012 2.504 1.00 8.73 H new ATOM 0 HB VAL A 94 -8.914 5.382 3.857 1.00 9.74 H new ATOM 0 HG11 VAL A 94 -8.739 3.503 5.439 1.00 9.66 H new ATOM 0 HG12 VAL A 94 -9.040 2.943 3.776 1.00 9.66 H new ATOM 0 HG13 VAL A 94 -7.408 2.821 4.474 1.00 9.66 H new ATOM 0 HG21 VAL A 94 -7.480 5.583 5.846 1.00 10.15 H new ATOM 0 HG22 VAL A 94 -6.093 4.991 4.901 1.00 10.15 H new ATOM 0 HG23 VAL A 94 -6.859 6.542 4.482 1.00 10.15 H new ATOM 97 N GLY A 95 -8.203 3.085 0.912 1.00 8.04 N ATOM 98 CA GLY A 95 -9.146 2.514 -0.031 1.00 8.20 C ATOM 99 C GLY A 95 -8.794 2.839 -1.468 1.00 7.64 C ATOM 100 O GLY A 95 -9.422 3.696 -2.089 1.00 8.10 O ATOM 0 H GLY A 95 -7.353 2.538 1.050 1.00 8.04 H new ATOM 0 HA2 GLY A 95 -9.174 1.432 0.098 1.00 8.20 H new ATOM 0 HA3 GLY A 95 -10.146 2.887 0.189 1.00 8.20 H new ATOM 104 N ASP A 96 -7.787 2.153 -1.999 1.00 6.70 N ATOM 105 CA ASP A 96 -7.353 2.376 -3.373 1.00 6.20 C ATOM 106 C ASP A 96 -6.619 1.156 -3.920 1.00 5.53 C ATOM 107 O ASP A 96 -5.606 0.728 -3.366 1.00 4.92 O ATOM 108 CB ASP A 96 -6.450 3.607 -3.452 1.00 5.87 C ATOM 109 CG ASP A 96 -6.324 4.144 -4.866 1.00 6.35 C ATOM 110 OD1 ASP A 96 -6.939 3.557 -5.781 1.00 6.81 O ATOM 111 OD2 ASP A 96 -5.608 5.150 -5.057 1.00 6.44 O ATOM 0 H ASP A 96 -7.257 1.439 -1.499 1.00 6.70 H new ATOM 0 HA ASP A 96 -8.240 2.545 -3.983 1.00 6.20 H new ATOM 0 HB2 ASP A 96 -6.848 4.388 -2.804 1.00 5.87 H new ATOM 0 HB3 ASP A 96 -5.460 3.353 -3.074 1.00 5.87 H new ATOM 116 N LYS A 97 -7.137 0.604 -5.013 1.00 5.83 N ATOM 117 CA LYS A 97 -6.529 -0.564 -5.639 1.00 5.62 C ATOM 118 C LYS A 97 -5.164 -0.212 -6.221 1.00 4.80 C ATOM 119 O LYS A 97 -5.071 0.415 -7.277 1.00 4.86 O ATOM 120 CB LYS A 97 -7.441 -1.113 -6.739 1.00 6.55 C ATOM 121 CG LYS A 97 -8.488 -2.089 -6.229 1.00 7.39 C ATOM 122 CD LYS A 97 -7.885 -3.459 -5.954 1.00 7.70 C ATOM 123 CE LYS A 97 -8.684 -4.219 -4.907 1.00 8.21 C ATOM 124 NZ LYS A 97 -10.134 -4.269 -5.243 1.00 9.10 N ATOM 0 H LYS A 97 -7.975 0.947 -5.483 1.00 5.83 H new ATOM 0 HA LYS A 97 -6.395 -1.330 -4.875 1.00 5.62 H new ATOM 0 HB2 LYS A 97 -7.942 -0.281 -7.233 1.00 6.55 H new ATOM 0 HB3 LYS A 97 -6.830 -1.610 -7.492 1.00 6.55 H new ATOM 0 HG2 LYS A 97 -8.938 -1.698 -5.316 1.00 7.39 H new ATOM 0 HG3 LYS A 97 -9.288 -2.183 -6.963 1.00 7.39 H new ATOM 0 HD2 LYS A 97 -7.853 -4.036 -6.878 1.00 7.70 H new ATOM 0 HD3 LYS A 97 -6.856 -3.343 -5.615 1.00 7.70 H new ATOM 0 HE2 LYS A 97 -8.296 -5.234 -4.821 1.00 8.21 H new ATOM 0 HE3 LYS A 97 -8.553 -3.744 -3.935 1.00 8.21 H new ATOM 0 HZ1 LYS A 97 -10.619 -4.920 -4.592 1.00 9.10 H new ATOM 0 HZ2 LYS A 97 -10.545 -3.318 -5.151 1.00 9.10 H new ATOM 0 HZ3 LYS A 97 -10.253 -4.605 -6.220 1.00 9.10 H new ATOM 138 N CYS A 98 -4.108 -0.615 -5.522 1.00 4.16 N ATOM 139 CA CYS A 98 -2.746 -0.339 -5.963 1.00 3.60 C ATOM 140 C CYS A 98 -1.932 -1.626 -6.066 1.00 3.78 C ATOM 141 O CYS A 98 -2.491 -2.720 -6.128 1.00 4.46 O ATOM 142 CB CYS A 98 -2.066 0.632 -4.996 1.00 2.97 C ATOM 143 SG CYS A 98 -2.012 0.051 -3.285 1.00 2.58 S ATOM 0 H CYS A 98 -4.170 -1.135 -4.646 1.00 4.16 H new ATOM 0 HA CYS A 98 -2.796 0.115 -6.953 1.00 3.60 H new ATOM 0 HB2 CYS A 98 -1.048 0.816 -5.339 1.00 2.97 H new ATOM 0 HB3 CYS A 98 -2.590 1.587 -5.028 1.00 2.97 H new ATOM 0 HG CYS A 98 -1.417 0.938 -2.544 1.00 2.58 H new ATOM 149 N SER A 99 -0.610 -1.485 -6.081 1.00 3.54 N ATOM 150 CA SER A 99 0.283 -2.634 -6.173 1.00 4.08 C ATOM 151 C SER A 99 1.487 -2.457 -5.255 1.00 3.73 C ATOM 152 O SER A 99 2.021 -1.356 -5.120 1.00 3.54 O ATOM 153 CB SER A 99 0.749 -2.834 -7.618 1.00 5.02 C ATOM 154 OG SER A 99 -0.330 -2.703 -8.525 1.00 5.76 O ATOM 0 H SER A 99 -0.133 -0.585 -6.031 1.00 3.54 H new ATOM 0 HA SER A 99 -0.268 -3.519 -5.855 1.00 4.08 H new ATOM 0 HB2 SER A 99 1.521 -2.103 -7.859 1.00 5.02 H new ATOM 0 HB3 SER A 99 1.200 -3.821 -7.725 1.00 5.02 H new ATOM 0 HG SER A 99 -0.233 -1.869 -9.031 1.00 5.76 H new ATOM 160 N ALA A 100 1.911 -3.548 -4.625 1.00 3.97 N ATOM 161 CA ALA A 100 3.051 -3.512 -3.717 1.00 3.95 C ATOM 162 C ALA A 100 3.952 -4.726 -3.917 1.00 4.93 C ATOM 163 O ALA A 100 3.501 -5.778 -4.372 1.00 5.47 O ATOM 164 CB ALA A 100 2.574 -3.438 -2.275 1.00 3.19 C ATOM 0 H ALA A 100 1.482 -4.468 -4.727 1.00 3.97 H new ATOM 0 HA ALA A 100 3.635 -2.619 -3.942 1.00 3.95 H new ATOM 0 HB1 ALA A 100 3.435 -3.412 -1.608 1.00 3.19 H new ATOM 0 HB2 ALA A 100 1.979 -2.536 -2.135 1.00 3.19 H new ATOM 0 HB3 ALA A 100 1.966 -4.313 -2.048 1.00 3.19 H new ATOM 170 N ILE A 101 5.226 -4.572 -3.572 1.00 5.36 N ATOM 171 CA ILE A 101 6.196 -5.654 -3.711 1.00 6.34 C ATOM 172 C ILE A 101 6.359 -6.413 -2.399 1.00 6.26 C ATOM 173 O ILE A 101 6.474 -5.810 -1.332 1.00 5.81 O ATOM 174 CB ILE A 101 7.575 -5.127 -4.158 1.00 7.10 C ATOM 175 CG1 ILE A 101 7.426 -3.811 -4.927 1.00 7.16 C ATOM 176 CG2 ILE A 101 8.288 -6.167 -5.010 1.00 8.16 C ATOM 177 CD1 ILE A 101 8.693 -2.985 -4.970 1.00 7.47 C ATOM 0 H ILE A 101 5.612 -3.707 -3.193 1.00 5.36 H new ATOM 0 HA ILE A 101 5.809 -6.326 -4.477 1.00 6.34 H new ATOM 0 HB ILE A 101 8.177 -4.936 -3.269 1.00 7.10 H new ATOM 0 HG12 ILE A 101 7.111 -4.030 -5.947 1.00 7.16 H new ATOM 0 HG13 ILE A 101 6.633 -3.220 -4.468 1.00 7.16 H new ATOM 0 HG21 ILE A 101 9.260 -5.781 -5.318 1.00 8.16 H new ATOM 0 HG22 ILE A 101 8.427 -7.079 -4.430 1.00 8.16 H new ATOM 0 HG23 ILE A 101 7.688 -6.387 -5.893 1.00 8.16 H new ATOM 0 HD11 ILE A 101 8.511 -2.068 -5.531 1.00 7.47 H new ATOM 0 HD12 ILE A 101 8.998 -2.734 -3.954 1.00 7.47 H new ATOM 0 HD13 ILE A 101 9.484 -3.557 -5.456 1.00 7.47 H new ATOM 189 N TRP A 102 6.373 -7.740 -2.486 1.00 6.86 N ATOM 190 CA TRP A 102 6.529 -8.581 -1.303 1.00 6.96 C ATOM 191 C TRP A 102 8.008 -8.783 -0.982 1.00 7.60 C ATOM 192 O TRP A 102 8.805 -9.098 -1.866 1.00 8.38 O ATOM 193 CB TRP A 102 5.849 -9.934 -1.521 1.00 7.61 C ATOM 194 CG TRP A 102 5.432 -10.615 -0.248 1.00 7.54 C ATOM 195 CD1 TRP A 102 5.413 -10.079 1.008 1.00 6.89 C ATOM 196 CD2 TRP A 102 4.971 -11.964 -0.115 1.00 8.31 C ATOM 197 NE1 TRP A 102 4.971 -11.012 1.914 1.00 7.22 N ATOM 198 CE2 TRP A 102 4.692 -12.177 1.249 1.00 8.10 C ATOM 199 CE3 TRP A 102 4.766 -13.013 -1.015 1.00 9.26 C ATOM 200 CZ2 TRP A 102 4.221 -13.395 1.732 1.00 8.82 C ATOM 201 CZ3 TRP A 102 4.297 -14.223 -0.535 1.00 9.95 C ATOM 202 CH2 TRP A 102 4.029 -14.403 0.827 1.00 9.73 C ATOM 0 H TRP A 102 6.278 -8.255 -3.361 1.00 6.86 H new ATOM 0 HA TRP A 102 6.055 -8.080 -0.459 1.00 6.96 H new ATOM 0 HB2 TRP A 102 4.971 -9.791 -2.150 1.00 7.61 H new ATOM 0 HB3 TRP A 102 6.529 -10.588 -2.066 1.00 7.61 H new ATOM 0 HD1 TRP A 102 5.703 -9.068 1.253 1.00 6.89 H new ATOM 0 HE1 TRP A 102 4.867 -10.862 2.918 1.00 7.22 H new ATOM 0 HE3 TRP A 102 4.970 -12.882 -2.067 1.00 9.26 H new ATOM 0 HZ2 TRP A 102 4.015 -13.539 2.782 1.00 8.82 H new ATOM 0 HZ3 TRP A 102 4.135 -15.041 -1.222 1.00 9.95 H new ATOM 0 HH2 TRP A 102 3.663 -15.359 1.171 1.00 9.73 H new ATOM 213 N SER A 103 8.366 -8.590 0.286 1.00 7.36 N ATOM 214 CA SER A 103 9.753 -8.740 0.723 1.00 8.04 C ATOM 215 C SER A 103 10.057 -10.178 1.134 1.00 8.76 C ATOM 216 O SER A 103 11.079 -10.445 1.767 1.00 9.24 O ATOM 217 CB SER A 103 10.043 -7.795 1.890 1.00 7.63 C ATOM 218 OG SER A 103 9.724 -6.457 1.555 1.00 7.51 O ATOM 0 H SER A 103 7.716 -8.330 1.028 1.00 7.36 H new ATOM 0 HA SER A 103 10.396 -8.485 -0.119 1.00 8.04 H new ATOM 0 HB2 SER A 103 9.466 -8.102 2.762 1.00 7.63 H new ATOM 0 HB3 SER A 103 11.096 -7.863 2.164 1.00 7.63 H new ATOM 0 HG SER A 103 9.917 -5.874 2.319 1.00 7.51 H new ATOM 224 N GLU A 104 9.173 -11.101 0.770 1.00 8.96 N ATOM 225 CA GLU A 104 9.361 -12.510 1.103 1.00 9.78 C ATOM 226 C GLU A 104 9.978 -13.262 -0.072 1.00 10.72 C ATOM 227 O GLU A 104 10.710 -14.233 0.114 1.00 11.50 O ATOM 228 CB GLU A 104 8.029 -13.148 1.493 1.00 9.65 C ATOM 229 CG GLU A 104 7.690 -12.989 2.967 1.00 9.77 C ATOM 230 CD GLU A 104 8.659 -13.723 3.873 1.00 10.55 C ATOM 231 OE1 GLU A 104 9.082 -14.841 3.509 1.00 10.87 O ATOM 232 OE2 GLU A 104 8.995 -13.181 4.947 1.00 10.99 O ATOM 0 H GLU A 104 8.321 -10.900 0.246 1.00 8.96 H new ATOM 0 HA GLU A 104 10.042 -12.572 1.952 1.00 9.78 H new ATOM 0 HB2 GLU A 104 7.233 -12.704 0.895 1.00 9.65 H new ATOM 0 HB3 GLU A 104 8.058 -14.210 1.247 1.00 9.65 H new ATOM 0 HG2 GLU A 104 7.691 -11.930 3.223 1.00 9.77 H new ATOM 0 HG3 GLU A 104 6.681 -13.359 3.145 1.00 9.77 H new ATOM 239 N ASP A 105 9.678 -12.798 -1.279 1.00 10.68 N ATOM 240 CA ASP A 105 10.204 -13.413 -2.490 1.00 11.61 C ATOM 241 C ASP A 105 10.881 -12.366 -3.365 1.00 11.51 C ATOM 242 O ASP A 105 12.105 -12.348 -3.496 1.00 12.31 O ATOM 243 CB ASP A 105 9.083 -14.106 -3.268 1.00 12.02 C ATOM 244 CG ASP A 105 8.954 -15.575 -2.912 1.00 12.58 C ATOM 245 OD1 ASP A 105 9.172 -15.921 -1.732 1.00 12.80 O ATOM 246 OD2 ASP A 105 8.634 -16.379 -3.813 1.00 12.93 O ATOM 0 H ASP A 105 9.071 -11.995 -1.445 1.00 10.68 H new ATOM 0 HA ASP A 105 10.943 -14.161 -2.204 1.00 11.61 H new ATOM 0 HB2 ASP A 105 8.138 -13.602 -3.065 1.00 12.02 H new ATOM 0 HB3 ASP A 105 9.273 -14.009 -4.337 1.00 12.02 H new ATOM 251 N GLY A 106 10.075 -11.492 -3.959 1.00 10.59 N ATOM 252 CA GLY A 106 10.611 -10.447 -4.810 1.00 10.51 C ATOM 253 C GLY A 106 9.797 -10.255 -6.074 1.00 10.58 C ATOM 254 O GLY A 106 10.335 -10.309 -7.180 1.00 11.27 O ATOM 0 H GLY A 106 9.059 -11.489 -3.866 1.00 10.59 H new ATOM 0 HA2 GLY A 106 10.640 -9.510 -4.255 1.00 10.51 H new ATOM 0 HA3 GLY A 106 11.639 -10.692 -5.077 1.00 10.51 H new ATOM 258 N CYS A 107 8.496 -10.031 -5.911 1.00 9.96 N ATOM 259 CA CYS A 107 7.609 -9.831 -7.052 1.00 10.08 C ATOM 260 C CYS A 107 6.504 -8.832 -6.719 1.00 9.03 C ATOM 261 O CYS A 107 6.281 -8.504 -5.554 1.00 8.22 O ATOM 262 CB CYS A 107 6.996 -11.165 -7.484 1.00 10.82 C ATOM 263 SG CYS A 107 7.793 -11.909 -8.928 1.00 12.07 S ATOM 0 H CYS A 107 8.034 -9.984 -5.003 1.00 9.96 H new ATOM 0 HA CYS A 107 8.200 -9.426 -7.873 1.00 10.08 H new ATOM 0 HB2 CYS A 107 7.051 -11.865 -6.650 1.00 10.82 H new ATOM 0 HB3 CYS A 107 5.939 -11.013 -7.703 1.00 10.82 H new ATOM 0 HG CYS A 107 7.207 -13.033 -9.216 1.00 12.07 H new ATOM 269 N ILE A 108 5.818 -8.351 -7.752 1.00 9.09 N ATOM 270 CA ILE A 108 4.739 -7.387 -7.573 1.00 8.18 C ATOM 271 C ILE A 108 3.374 -8.060 -7.649 1.00 8.20 C ATOM 272 O ILE A 108 3.093 -8.816 -8.581 1.00 9.05 O ATOM 273 CB ILE A 108 4.805 -6.265 -8.628 1.00 8.31 C ATOM 274 CG1 ILE A 108 6.247 -5.787 -8.808 1.00 8.80 C ATOM 275 CG2 ILE A 108 3.903 -5.107 -8.226 1.00 7.33 C ATOM 276 CD1 ILE A 108 6.478 -5.031 -10.098 1.00 9.51 C ATOM 0 H ILE A 108 5.991 -8.614 -8.722 1.00 9.09 H new ATOM 0 HA ILE A 108 4.870 -6.953 -6.582 1.00 8.18 H new ATOM 0 HB ILE A 108 4.453 -6.661 -9.581 1.00 8.31 H new ATOM 0 HG12 ILE A 108 6.516 -5.146 -7.968 1.00 8.80 H new ATOM 0 HG13 ILE A 108 6.913 -6.649 -8.778 1.00 8.80 H new ATOM 0 HG21 ILE A 108 3.960 -4.322 -8.981 1.00 7.33 H new ATOM 0 HG22 ILE A 108 2.874 -5.458 -8.145 1.00 7.33 H new ATOM 0 HG23 ILE A 108 4.228 -4.710 -7.264 1.00 7.33 H new ATOM 0 HD11 ILE A 108 7.522 -4.723 -10.157 1.00 9.51 H new ATOM 0 HD12 ILE A 108 6.241 -5.675 -10.945 1.00 9.51 H new ATOM 0 HD13 ILE A 108 5.838 -4.149 -10.123 1.00 9.51 H new ATOM 288 N TYR A 109 2.525 -7.779 -6.664 1.00 7.40 N ATOM 289 CA TYR A 109 1.186 -8.354 -6.616 1.00 7.58 C ATOM 290 C TYR A 109 0.151 -7.290 -6.250 1.00 6.75 C ATOM 291 O TYR A 109 0.478 -6.300 -5.592 1.00 5.79 O ATOM 292 CB TYR A 109 1.133 -9.500 -5.603 1.00 7.78 C ATOM 293 CG TYR A 109 2.118 -10.612 -5.887 1.00 8.74 C ATOM 294 CD1 TYR A 109 1.942 -11.459 -6.973 1.00 9.44 C ATOM 295 CD2 TYR A 109 3.226 -10.811 -5.071 1.00 9.05 C ATOM 296 CE1 TYR A 109 2.840 -12.476 -7.237 1.00 10.35 C ATOM 297 CE2 TYR A 109 4.128 -11.825 -5.330 1.00 9.98 C ATOM 298 CZ TYR A 109 3.930 -12.659 -6.405 1.00 10.60 C ATOM 299 OH TYR A 109 4.829 -13.664 -6.675 1.00 11.54 O ATOM 0 H TYR A 109 2.742 -7.155 -5.887 1.00 7.40 H new ATOM 0 HA TYR A 109 0.950 -8.744 -7.606 1.00 7.58 H new ATOM 0 HB2 TYR A 109 1.327 -9.101 -4.607 1.00 7.78 H new ATOM 0 HB3 TYR A 109 0.125 -9.915 -5.590 1.00 7.78 H new ATOM 0 HD1 TYR A 109 1.090 -11.321 -7.622 1.00 9.44 H new ATOM 0 HD2 TYR A 109 3.384 -10.163 -4.222 1.00 9.05 H new ATOM 0 HE1 TYR A 109 2.692 -13.124 -8.088 1.00 10.35 H new ATOM 0 HE2 TYR A 109 4.987 -11.962 -4.689 1.00 9.98 H new ATOM 0 HH TYR A 109 5.538 -13.660 -5.998 1.00 11.54 H new ATOM 309 N PRO A 110 -1.114 -7.477 -6.669 1.00 7.22 N ATOM 310 CA PRO A 110 -2.192 -6.523 -6.375 1.00 6.71 C ATOM 311 C PRO A 110 -2.402 -6.340 -4.876 1.00 6.03 C ATOM 312 O PRO A 110 -2.201 -7.268 -4.094 1.00 6.34 O ATOM 313 CB PRO A 110 -3.431 -7.159 -7.015 1.00 7.77 C ATOM 314 CG PRO A 110 -2.900 -8.127 -8.015 1.00 8.66 C ATOM 315 CD PRO A 110 -1.598 -8.626 -7.455 1.00 8.42 C ATOM 0 HA PRO A 110 -1.968 -5.528 -6.760 1.00 6.71 H new ATOM 0 HB2 PRO A 110 -4.046 -7.662 -6.268 1.00 7.77 H new ATOM 0 HB3 PRO A 110 -4.059 -6.406 -7.491 1.00 7.77 H new ATOM 0 HG2 PRO A 110 -3.598 -8.949 -8.172 1.00 8.66 H new ATOM 0 HG3 PRO A 110 -2.751 -7.647 -8.982 1.00 8.66 H new ATOM 0 HD2 PRO A 110 -1.738 -9.510 -6.833 1.00 8.42 H new ATOM 0 HD3 PRO A 110 -0.897 -8.899 -8.244 1.00 8.42 H new ATOM 323 N ALA A 111 -2.807 -5.136 -4.481 1.00 5.22 N ATOM 324 CA ALA A 111 -3.042 -4.832 -3.076 1.00 4.71 C ATOM 325 C ALA A 111 -4.123 -3.769 -2.912 1.00 4.65 C ATOM 326 O ALA A 111 -4.514 -3.114 -3.878 1.00 4.72 O ATOM 327 CB ALA A 111 -1.750 -4.378 -2.413 1.00 3.76 C ATOM 0 H ALA A 111 -2.979 -4.356 -5.116 1.00 5.22 H new ATOM 0 HA ALA A 111 -3.391 -5.742 -2.589 1.00 4.71 H new ATOM 0 HB1 ALA A 111 -1.939 -4.154 -1.363 1.00 3.76 H new ATOM 0 HB2 ALA A 111 -1.005 -5.171 -2.486 1.00 3.76 H new ATOM 0 HB3 ALA A 111 -1.379 -3.484 -2.914 1.00 3.76 H new ATOM 333 N THR A 112 -4.597 -3.601 -1.682 1.00 4.78 N ATOM 334 CA THR A 112 -5.630 -2.617 -1.383 1.00 5.14 C ATOM 335 C THR A 112 -5.256 -1.793 -0.157 1.00 4.91 C ATOM 336 O THR A 112 -5.087 -2.334 0.938 1.00 5.15 O ATOM 337 CB THR A 112 -6.997 -3.286 -1.146 1.00 6.32 C ATOM 338 OG1 THR A 112 -7.170 -4.379 -2.055 1.00 6.81 O ATOM 339 CG2 THR A 112 -8.130 -2.286 -1.329 1.00 6.83 C ATOM 0 H THR A 112 -4.280 -4.136 -0.873 1.00 4.78 H new ATOM 0 HA THR A 112 -5.707 -1.962 -2.251 1.00 5.14 H new ATOM 0 HB THR A 112 -7.022 -3.656 -0.121 1.00 6.32 H new ATOM 0 HG1 THR A 112 -8.040 -4.801 -1.898 1.00 6.81 H new ATOM 0 HG21 THR A 112 -9.085 -2.782 -1.156 1.00 6.83 H new ATOM 0 HG22 THR A 112 -8.012 -1.469 -0.618 1.00 6.83 H new ATOM 0 HG23 THR A 112 -8.105 -1.890 -2.344 1.00 6.83 H new ATOM 347 N ILE A 113 -5.120 -0.484 -0.348 1.00 4.70 N ATOM 348 CA ILE A 113 -4.757 0.416 0.740 1.00 4.93 C ATOM 349 C ILE A 113 -5.772 0.353 1.877 1.00 6.00 C ATOM 350 O ILE A 113 -6.850 0.939 1.794 1.00 6.70 O ATOM 351 CB ILE A 113 -4.639 1.871 0.248 1.00 4.99 C ATOM 352 CG1 ILE A 113 -3.652 1.958 -0.920 1.00 4.08 C ATOM 353 CG2 ILE A 113 -4.205 2.781 1.387 1.00 5.66 C ATOM 354 CD1 ILE A 113 -3.527 3.348 -1.511 1.00 4.34 C ATOM 0 H ILE A 113 -5.256 -0.023 -1.248 1.00 4.70 H new ATOM 0 HA ILE A 113 -3.787 0.085 1.111 1.00 4.93 H new ATOM 0 HB ILE A 113 -5.616 2.203 -0.102 1.00 4.99 H new ATOM 0 HG12 ILE A 113 -2.670 1.628 -0.580 1.00 4.08 H new ATOM 0 HG13 ILE A 113 -3.967 1.267 -1.702 1.00 4.08 H new ATOM 0 HG21 ILE A 113 -4.126 3.806 1.024 1.00 5.66 H new ATOM 0 HG22 ILE A 113 -4.941 2.736 2.189 1.00 5.66 H new ATOM 0 HG23 ILE A 113 -3.236 2.454 1.765 1.00 5.66 H new ATOM 0 HD11 ILE A 113 -2.811 3.331 -2.333 1.00 4.34 H new ATOM 0 HD12 ILE A 113 -4.498 3.674 -1.883 1.00 4.34 H new ATOM 0 HD13 ILE A 113 -3.182 4.040 -0.743 1.00 4.34 H new ATOM 366 N ALA A 114 -5.422 -0.374 2.935 1.00 6.19 N ATOM 367 CA ALA A 114 -6.305 -0.525 4.087 1.00 7.25 C ATOM 368 C ALA A 114 -6.064 0.570 5.121 1.00 7.83 C ATOM 369 O ALA A 114 -6.999 1.035 5.772 1.00 8.77 O ATOM 370 CB ALA A 114 -6.118 -1.896 4.717 1.00 7.35 C ATOM 0 H ALA A 114 -4.533 -0.867 3.018 1.00 6.19 H new ATOM 0 HA ALA A 114 -7.333 -0.432 3.736 1.00 7.25 H new ATOM 0 HB1 ALA A 114 -6.782 -1.996 5.575 1.00 7.35 H new ATOM 0 HB2 ALA A 114 -6.353 -2.668 3.984 1.00 7.35 H new ATOM 0 HB3 ALA A 114 -5.084 -2.008 5.044 1.00 7.35 H new ATOM 376 N SER A 115 -4.807 0.976 5.271 1.00 7.42 N ATOM 377 CA SER A 115 -4.453 2.015 6.231 1.00 8.19 C ATOM 378 C SER A 115 -3.216 2.779 5.774 1.00 7.84 C ATOM 379 O SER A 115 -2.376 2.243 5.052 1.00 6.96 O ATOM 380 CB SER A 115 -4.204 1.398 7.610 1.00 8.69 C ATOM 381 OG SER A 115 -4.898 2.110 8.619 1.00 9.20 O ATOM 0 H SER A 115 -4.019 0.603 4.742 1.00 7.42 H new ATOM 0 HA SER A 115 -5.286 2.715 6.297 1.00 8.19 H new ATOM 0 HB2 SER A 115 -4.525 0.356 7.609 1.00 8.69 H new ATOM 0 HB3 SER A 115 -3.136 1.402 7.827 1.00 8.69 H new ATOM 0 HG SER A 115 -4.724 1.696 9.490 1.00 9.20 H new ATOM 387 N ILE A 116 -3.112 4.035 6.196 1.00 8.68 N ATOM 388 CA ILE A 116 -1.976 4.872 5.829 1.00 8.72 C ATOM 389 C ILE A 116 -1.480 5.683 7.020 1.00 9.82 C ATOM 390 O ILE A 116 -2.254 6.036 7.910 1.00 10.64 O ATOM 391 CB ILE A 116 -2.331 5.846 4.685 1.00 8.70 C ATOM 392 CG1 ILE A 116 -2.797 5.075 3.452 1.00 7.65 C ATOM 393 CG2 ILE A 116 -1.138 6.727 4.340 1.00 8.99 C ATOM 394 CD1 ILE A 116 -3.206 5.972 2.306 1.00 7.79 C ATOM 0 H ILE A 116 -3.800 4.495 6.792 1.00 8.68 H new ATOM 0 HA ILE A 116 -1.190 4.195 5.493 1.00 8.72 H new ATOM 0 HB ILE A 116 -3.146 6.487 5.022 1.00 8.70 H new ATOM 0 HG12 ILE A 116 -1.995 4.415 3.120 1.00 7.65 H new ATOM 0 HG13 ILE A 116 -3.639 4.440 3.726 1.00 7.65 H new ATOM 0 HG21 ILE A 116 -1.409 7.406 3.532 1.00 8.99 H new ATOM 0 HG22 ILE A 116 -0.847 7.305 5.217 1.00 8.99 H new ATOM 0 HG23 ILE A 116 -0.303 6.102 4.024 1.00 8.99 H new ATOM 0 HD11 ILE A 116 -3.526 5.361 1.462 1.00 7.79 H new ATOM 0 HD12 ILE A 116 -4.028 6.614 2.622 1.00 7.79 H new ATOM 0 HD13 ILE A 116 -2.359 6.589 2.007 1.00 7.79 H new ATOM 406 N ASP A 117 -0.187 5.981 7.019 1.00 9.92 N ATOM 407 CA ASP A 117 0.420 6.761 8.085 1.00 11.01 C ATOM 408 C ASP A 117 1.178 7.951 7.505 1.00 11.42 C ATOM 409 O ASP A 117 2.368 7.852 7.190 1.00 11.09 O ATOM 410 CB ASP A 117 1.363 5.889 8.918 1.00 11.04 C ATOM 411 CG ASP A 117 1.674 6.502 10.269 1.00 11.32 C ATOM 412 OD1 ASP A 117 2.526 7.415 10.324 1.00 11.56 O ATOM 413 OD2 ASP A 117 1.066 6.071 11.271 1.00 11.44 O ATOM 0 H ASP A 117 0.462 5.692 6.287 1.00 9.92 H new ATOM 0 HA ASP A 117 -0.373 7.133 8.734 1.00 11.01 H new ATOM 0 HB2 ASP A 117 0.913 4.907 9.063 1.00 11.04 H new ATOM 0 HB3 ASP A 117 2.292 5.736 8.369 1.00 11.04 H new ATOM 418 N PHE A 118 0.471 9.070 7.358 1.00 12.23 N ATOM 419 CA PHE A 118 1.055 10.288 6.809 1.00 12.79 C ATOM 420 C PHE A 118 2.079 10.885 7.766 1.00 13.61 C ATOM 421 O PHE A 118 2.997 11.588 7.341 1.00 14.24 O ATOM 422 CB PHE A 118 -0.040 11.315 6.511 1.00 13.45 C ATOM 423 CG PHE A 118 -0.924 10.936 5.357 1.00 12.78 C ATOM 424 CD1 PHE A 118 -0.503 11.132 4.052 1.00 12.45 C ATOM 425 CD2 PHE A 118 -2.175 10.385 5.578 1.00 12.56 C ATOM 426 CE1 PHE A 118 -1.315 10.785 2.988 1.00 11.89 C ATOM 427 CE2 PHE A 118 -2.991 10.036 4.520 1.00 12.01 C ATOM 428 CZ PHE A 118 -2.560 10.236 3.223 1.00 11.67 C ATOM 0 H PHE A 118 -0.513 9.156 7.614 1.00 12.23 H new ATOM 0 HA PHE A 118 1.564 10.027 5.881 1.00 12.79 H new ATOM 0 HB2 PHE A 118 -0.655 11.446 7.401 1.00 13.45 H new ATOM 0 HB3 PHE A 118 0.425 12.278 6.300 1.00 13.45 H new ATOM 0 HD1 PHE A 118 0.470 11.561 3.863 1.00 12.45 H new ATOM 0 HD2 PHE A 118 -2.517 10.226 6.590 1.00 12.56 H new ATOM 0 HE1 PHE A 118 -0.976 10.943 1.975 1.00 11.89 H new ATOM 0 HE2 PHE A 118 -3.965 9.607 4.706 1.00 12.01 H new ATOM 0 HZ PHE A 118 -3.196 9.963 2.394 1.00 11.67 H new ATOM 438 N LYS A 119 1.917 10.601 9.056 1.00 13.66 N ATOM 439 CA LYS A 119 2.833 11.109 10.071 1.00 14.45 C ATOM 440 C LYS A 119 4.276 10.858 9.651 1.00 14.19 C ATOM 441 O LYS A 119 5.014 11.794 9.337 1.00 14.83 O ATOM 442 CB LYS A 119 2.555 10.448 11.422 1.00 14.52 C ATOM 443 CG LYS A 119 3.049 11.257 12.609 1.00 15.42 C ATOM 444 CD LYS A 119 3.533 10.357 13.734 1.00 16.01 C ATOM 445 CE LYS A 119 2.712 10.554 14.998 1.00 16.53 C ATOM 446 NZ LYS A 119 3.118 9.612 16.078 1.00 16.87 N ATOM 0 H LYS A 119 1.161 10.023 9.422 1.00 13.66 H new ATOM 0 HA LYS A 119 2.677 12.183 10.171 1.00 14.45 H new ATOM 0 HB2 LYS A 119 1.482 10.287 11.524 1.00 14.52 H new ATOM 0 HB3 LYS A 119 3.028 9.466 11.441 1.00 14.52 H new ATOM 0 HG2 LYS A 119 3.860 11.913 12.292 1.00 15.42 H new ATOM 0 HG3 LYS A 119 2.246 11.897 12.974 1.00 15.42 H new ATOM 0 HD2 LYS A 119 3.473 9.315 13.419 1.00 16.01 H new ATOM 0 HD3 LYS A 119 4.582 10.567 13.944 1.00 16.01 H new ATOM 0 HE2 LYS A 119 2.827 11.580 15.349 1.00 16.53 H new ATOM 0 HE3 LYS A 119 1.656 10.411 14.770 1.00 16.53 H new ATOM 0 HZ1 LYS A 119 2.534 9.779 16.922 1.00 16.87 H new ATOM 0 HZ2 LYS A 119 2.985 8.633 15.753 1.00 16.87 H new ATOM 0 HZ3 LYS A 119 4.119 9.765 16.314 1.00 16.87 H new ATOM 460 N ARG A 120 4.668 9.590 9.631 1.00 13.31 N ATOM 461 CA ARG A 120 6.017 9.215 9.229 1.00 13.08 C ATOM 462 C ARG A 120 6.102 9.098 7.709 1.00 12.15 C ATOM 463 O ARG A 120 6.380 10.081 7.021 1.00 11.68 O ATOM 464 CB ARG A 120 6.422 7.894 9.889 1.00 12.82 C ATOM 465 CG ARG A 120 7.176 8.073 11.196 1.00 13.39 C ATOM 466 CD ARG A 120 7.227 6.779 11.991 1.00 13.47 C ATOM 467 NE ARG A 120 7.781 5.677 11.207 1.00 14.06 N ATOM 468 CZ ARG A 120 9.062 5.585 10.864 1.00 14.44 C ATOM 469 NH1 ARG A 120 9.922 6.526 11.228 1.00 14.31 N ATOM 470 NH2 ARG A 120 9.485 4.548 10.154 1.00 15.09 N ATOM 0 H ARG A 120 4.071 8.804 9.889 1.00 13.31 H new ATOM 0 HA ARG A 120 6.707 9.992 9.558 1.00 13.08 H new ATOM 0 HB2 ARG A 120 5.527 7.301 10.074 1.00 12.82 H new ATOM 0 HB3 ARG A 120 7.043 7.327 9.196 1.00 12.82 H new ATOM 0 HG2 ARG A 120 8.190 8.414 10.988 1.00 13.39 H new ATOM 0 HG3 ARG A 120 6.695 8.849 11.792 1.00 13.39 H new ATOM 0 HD2 ARG A 120 7.831 6.927 12.886 1.00 13.47 H new ATOM 0 HD3 ARG A 120 6.222 6.518 12.324 1.00 13.47 H new ATOM 0 HE ARG A 120 7.148 4.936 10.906 1.00 14.06 H new ATOM 0 HH11 ARG A 120 9.602 7.326 11.774 1.00 14.31 H new ATOM 0 HH12 ARG A 120 10.904 6.450 10.962 1.00 14.31 H new ATOM 0 HH21 ARG A 120 8.828 3.821 9.871 1.00 15.09 H new ATOM 0 HH22 ARG A 120 10.468 4.477 9.891 1.00 15.09 H new ATOM 484 N GLU A 121 5.850 7.893 7.193 1.00 11.98 N ATOM 485 CA GLU A 121 5.887 7.644 5.752 1.00 11.15 C ATOM 486 C GLU A 121 5.637 6.169 5.449 1.00 10.00 C ATOM 487 O GLU A 121 6.450 5.516 4.795 1.00 9.65 O ATOM 488 CB GLU A 121 7.237 8.070 5.163 1.00 11.64 C ATOM 489 CG GLU A 121 8.436 7.560 5.947 1.00 12.24 C ATOM 490 CD GLU A 121 9.644 8.466 5.819 1.00 13.04 C ATOM 491 OE1 GLU A 121 9.942 8.903 4.688 1.00 13.22 O ATOM 492 OE2 GLU A 121 10.294 8.740 6.851 1.00 13.61 O ATOM 0 H GLU A 121 5.618 7.073 7.754 1.00 11.98 H new ATOM 0 HA GLU A 121 5.096 8.237 5.292 1.00 11.15 H new ATOM 0 HB2 GLU A 121 7.305 7.709 4.137 1.00 11.64 H new ATOM 0 HB3 GLU A 121 7.278 9.158 5.122 1.00 11.64 H new ATOM 0 HG2 GLU A 121 8.165 7.468 6.999 1.00 12.24 H new ATOM 0 HG3 GLU A 121 8.697 6.561 5.596 1.00 12.24 H new ATOM 499 N THR A 122 4.515 5.642 5.933 1.00 9.51 N ATOM 500 CA THR A 122 4.186 4.236 5.707 1.00 8.44 C ATOM 501 C THR A 122 2.703 4.038 5.413 1.00 7.82 C ATOM 502 O THR A 122 1.917 4.981 5.474 1.00 8.35 O ATOM 503 CB THR A 122 4.574 3.373 6.921 1.00 8.64 C ATOM 504 OG1 THR A 122 4.582 4.172 8.110 1.00 9.57 O ATOM 505 CG2 THR A 122 5.944 2.744 6.720 1.00 8.95 C ATOM 0 H THR A 122 3.825 6.159 6.478 1.00 9.51 H new ATOM 0 HA THR A 122 4.761 3.921 4.836 1.00 8.44 H new ATOM 0 HB THR A 122 3.836 2.578 7.024 1.00 8.64 H new ATOM 0 HG1 THR A 122 4.828 3.614 8.877 1.00 9.57 H new ATOM 0 HG21 THR A 122 6.198 2.139 7.590 1.00 8.95 H new ATOM 0 HG22 THR A 122 5.928 2.113 5.831 1.00 8.95 H new ATOM 0 HG23 THR A 122 6.690 3.529 6.594 1.00 8.95 H new ATOM 513 N CYS A 123 2.333 2.797 5.092 1.00 6.82 N ATOM 514 CA CYS A 123 0.946 2.456 4.786 1.00 6.32 C ATOM 515 C CYS A 123 0.779 0.944 4.648 1.00 5.48 C ATOM 516 O CYS A 123 1.597 0.275 4.016 1.00 5.04 O ATOM 517 CB CYS A 123 0.498 3.148 3.497 1.00 5.96 C ATOM 518 SG CYS A 123 1.622 2.904 2.102 1.00 5.05 S ATOM 0 H CYS A 123 2.979 2.010 5.038 1.00 6.82 H new ATOM 0 HA CYS A 123 0.322 2.803 5.610 1.00 6.32 H new ATOM 0 HB2 CYS A 123 -0.490 2.778 3.223 1.00 5.96 H new ATOM 0 HB3 CYS A 123 0.397 4.217 3.687 1.00 5.96 H new ATOM 0 HG CYS A 123 2.720 2.350 2.522 1.00 5.05 H new ATOM 524 N VAL A 124 -0.286 0.413 5.244 1.00 5.51 N ATOM 525 CA VAL A 124 -0.563 -1.021 5.191 1.00 5.03 C ATOM 526 C VAL A 124 -1.430 -1.376 3.986 1.00 4.47 C ATOM 527 O VAL A 124 -2.367 -0.652 3.649 1.00 4.86 O ATOM 528 CB VAL A 124 -1.270 -1.496 6.478 1.00 5.88 C ATOM 529 CG1 VAL A 124 -1.620 -2.974 6.389 1.00 5.71 C ATOM 530 CG2 VAL A 124 -0.404 -1.222 7.696 1.00 6.50 C ATOM 0 H VAL A 124 -0.972 0.954 5.770 1.00 5.51 H new ATOM 0 HA VAL A 124 0.398 -1.527 5.098 1.00 5.03 H new ATOM 0 HB VAL A 124 -2.198 -0.934 6.584 1.00 5.88 H new ATOM 0 HG11 VAL A 124 -2.117 -3.286 7.307 1.00 5.71 H new ATOM 0 HG12 VAL A 124 -2.285 -3.140 5.542 1.00 5.71 H new ATOM 0 HG13 VAL A 124 -0.708 -3.556 6.254 1.00 5.71 H new ATOM 0 HG21 VAL A 124 -0.920 -1.564 8.593 1.00 6.50 H new ATOM 0 HG22 VAL A 124 0.542 -1.754 7.597 1.00 6.50 H new ATOM 0 HG23 VAL A 124 -0.213 -0.152 7.773 1.00 6.50 H new ATOM 540 N VAL A 125 -1.114 -2.499 3.343 1.00 3.79 N ATOM 541 CA VAL A 125 -1.864 -2.957 2.179 1.00 3.55 C ATOM 542 C VAL A 125 -2.263 -4.421 2.328 1.00 4.11 C ATOM 543 O VAL A 125 -1.563 -5.202 2.975 1.00 4.19 O ATOM 544 CB VAL A 125 -1.048 -2.791 0.880 1.00 2.74 C ATOM 545 CG1 VAL A 125 -0.976 -1.326 0.476 1.00 2.53 C ATOM 546 CG2 VAL A 125 0.348 -3.377 1.044 1.00 2.61 C ATOM 0 H VAL A 125 -0.341 -3.109 3.611 1.00 3.79 H new ATOM 0 HA VAL A 125 -2.760 -2.339 2.117 1.00 3.55 H new ATOM 0 HB VAL A 125 -1.554 -3.338 0.085 1.00 2.74 H new ATOM 0 HG11 VAL A 125 -0.396 -1.230 -0.442 1.00 2.53 H new ATOM 0 HG12 VAL A 125 -1.983 -0.944 0.311 1.00 2.53 H new ATOM 0 HG13 VAL A 125 -0.496 -0.753 1.269 1.00 2.53 H new ATOM 0 HG21 VAL A 125 0.907 -3.250 0.117 1.00 2.61 H new ATOM 0 HG22 VAL A 125 0.866 -2.863 1.854 1.00 2.61 H new ATOM 0 HG23 VAL A 125 0.272 -4.439 1.279 1.00 2.61 H new ATOM 556 N VAL A 126 -3.390 -4.792 1.726 1.00 4.74 N ATOM 557 CA VAL A 126 -3.878 -6.166 1.793 1.00 5.60 C ATOM 558 C VAL A 126 -3.667 -6.887 0.465 1.00 5.78 C ATOM 559 O VAL A 126 -3.956 -6.344 -0.600 1.00 5.73 O ATOM 560 CB VAL A 126 -5.373 -6.219 2.164 1.00 6.59 C ATOM 561 CG1 VAL A 126 -5.829 -7.659 2.347 1.00 7.53 C ATOM 562 CG2 VAL A 126 -5.642 -5.407 3.420 1.00 6.75 C ATOM 0 H VAL A 126 -3.982 -4.160 1.187 1.00 4.74 H new ATOM 0 HA VAL A 126 -3.304 -6.667 2.572 1.00 5.60 H new ATOM 0 HB VAL A 126 -5.945 -5.781 1.346 1.00 6.59 H new ATOM 0 HG11 VAL A 126 -6.887 -7.675 2.609 1.00 7.53 H new ATOM 0 HG12 VAL A 126 -5.676 -8.210 1.419 1.00 7.53 H new ATOM 0 HG13 VAL A 126 -5.251 -8.125 3.145 1.00 7.53 H new ATOM 0 HG21 VAL A 126 -6.703 -5.457 3.665 1.00 6.75 H new ATOM 0 HG22 VAL A 126 -5.059 -5.812 4.247 1.00 6.75 H new ATOM 0 HG23 VAL A 126 -5.358 -4.369 3.250 1.00 6.75 H new ATOM 572 N TYR A 127 -3.162 -8.115 0.538 1.00 6.19 N ATOM 573 CA TYR A 127 -2.910 -8.913 -0.657 1.00 6.72 C ATOM 574 C TYR A 127 -4.198 -9.540 -1.178 1.00 7.79 C ATOM 575 O TYR A 127 -4.721 -10.493 -0.599 1.00 8.59 O ATOM 576 CB TYR A 127 -1.878 -10.004 -0.361 1.00 7.03 C ATOM 577 CG TYR A 127 -0.451 -9.503 -0.370 1.00 6.28 C ATOM 578 CD1 TYR A 127 -0.041 -8.495 0.495 1.00 5.71 C ATOM 579 CD2 TYR A 127 0.488 -10.038 -1.243 1.00 6.38 C ATOM 580 CE1 TYR A 127 1.262 -8.036 0.489 1.00 5.23 C ATOM 581 CE2 TYR A 127 1.794 -9.584 -1.255 1.00 5.99 C ATOM 582 CZ TYR A 127 2.173 -8.578 -0.390 1.00 5.42 C ATOM 583 OH TYR A 127 3.474 -8.129 -0.395 1.00 5.31 O ATOM 0 H TYR A 127 -2.919 -8.579 1.413 1.00 6.19 H new ATOM 0 HA TYR A 127 -2.516 -8.250 -1.427 1.00 6.72 H new ATOM 0 HB2 TYR A 127 -2.094 -10.443 0.613 1.00 7.03 H new ATOM 0 HB3 TYR A 127 -1.980 -10.800 -1.099 1.00 7.03 H new ATOM 0 HD1 TYR A 127 -0.753 -8.064 1.183 1.00 5.71 H new ATOM 0 HD2 TYR A 127 0.193 -10.822 -1.924 1.00 6.38 H new ATOM 0 HE1 TYR A 127 1.565 -7.255 1.171 1.00 5.23 H new ATOM 0 HE2 TYR A 127 2.513 -10.014 -1.937 1.00 5.99 H new ATOM 0 HH TYR A 127 4.060 -8.822 -0.025 1.00 5.31 H new ATOM 593 N THR A 128 -4.705 -8.990 -2.276 1.00 7.86 N ATOM 594 CA THR A 128 -5.936 -9.479 -2.887 1.00 8.91 C ATOM 595 C THR A 128 -5.801 -10.931 -3.341 1.00 9.91 C ATOM 596 O THR A 128 -5.006 -11.241 -4.228 1.00 10.27 O ATOM 597 CB THR A 128 -6.331 -8.617 -4.099 1.00 8.84 C ATOM 598 OG1 THR A 128 -5.675 -7.344 -4.032 1.00 7.77 O ATOM 599 CG2 THR A 128 -7.838 -8.410 -4.154 1.00 9.50 C ATOM 0 H THR A 128 -4.280 -8.201 -2.763 1.00 7.86 H new ATOM 0 HA THR A 128 -6.711 -9.416 -2.123 1.00 8.91 H new ATOM 0 HB THR A 128 -6.019 -9.142 -5.002 1.00 8.84 H new ATOM 0 HG1 THR A 128 -5.931 -6.803 -4.808 1.00 7.77 H new ATOM 0 HG21 THR A 128 -8.090 -7.798 -5.020 1.00 9.50 H new ATOM 0 HG22 THR A 128 -8.335 -9.376 -4.236 1.00 9.50 H new ATOM 0 HG23 THR A 128 -8.170 -7.907 -3.245 1.00 9.50 H new ATOM 607 N GLY A 129 -6.593 -11.814 -2.737 1.00 10.49 N ATOM 608 CA GLY A 129 -6.556 -13.217 -3.104 1.00 11.51 C ATOM 609 C GLY A 129 -5.682 -14.057 -2.191 1.00 11.53 C ATOM 610 O GLY A 129 -5.886 -15.264 -2.071 1.00 12.41 O ATOM 0 H GLY A 129 -7.259 -11.581 -2.000 1.00 10.49 H new ATOM 0 HA2 GLY A 129 -7.571 -13.615 -3.090 1.00 11.51 H new ATOM 0 HA3 GLY A 129 -6.192 -13.308 -4.127 1.00 11.51 H new ATOM 614 N TYR A 130 -4.702 -13.425 -1.551 1.00 10.62 N ATOM 615 CA TYR A 130 -3.799 -14.138 -0.654 1.00 10.62 C ATOM 616 C TYR A 130 -4.262 -14.034 0.796 1.00 10.60 C ATOM 617 O TYR A 130 -3.916 -14.873 1.628 1.00 11.27 O ATOM 618 CB TYR A 130 -2.378 -13.589 -0.791 1.00 9.73 C ATOM 619 CG TYR A 130 -1.854 -13.622 -2.210 1.00 10.03 C ATOM 620 CD1 TYR A 130 -1.363 -14.798 -2.764 1.00 10.64 C ATOM 621 CD2 TYR A 130 -1.848 -12.474 -2.994 1.00 9.83 C ATOM 622 CE1 TYR A 130 -0.882 -14.830 -4.059 1.00 11.09 C ATOM 623 CE2 TYR A 130 -1.368 -12.500 -4.290 1.00 10.27 C ATOM 624 CZ TYR A 130 -0.898 -13.687 -4.820 1.00 10.92 C ATOM 625 OH TYR A 130 -0.408 -13.707 -6.106 1.00 11.49 O ATOM 0 H TYR A 130 -4.514 -12.426 -1.636 1.00 10.62 H new ATOM 0 HA TYR A 130 -3.807 -15.191 -0.937 1.00 10.62 H new ATOM 0 HB2 TYR A 130 -2.357 -12.561 -0.428 1.00 9.73 H new ATOM 0 HB3 TYR A 130 -1.710 -14.167 -0.152 1.00 9.73 H new ATOM 0 HD1 TYR A 130 -1.357 -15.702 -2.173 1.00 10.64 H new ATOM 0 HD2 TYR A 130 -2.224 -11.548 -2.584 1.00 9.83 H new ATOM 0 HE1 TYR A 130 -0.495 -15.750 -4.471 1.00 11.09 H new ATOM 0 HE2 TYR A 130 -1.360 -11.599 -4.885 1.00 10.27 H new ATOM 0 HH TYR A 130 0.252 -12.991 -6.216 1.00 11.49 H new ATOM 635 N GLY A 131 -5.049 -13.005 1.091 1.00 9.97 N ATOM 636 CA GLY A 131 -5.550 -12.814 2.442 1.00 10.07 C ATOM 637 C GLY A 131 -4.479 -12.339 3.406 1.00 9.30 C ATOM 638 O GLY A 131 -4.781 -11.961 4.540 1.00 9.47 O ATOM 0 H GLY A 131 -5.350 -12.299 0.419 1.00 9.97 H new ATOM 0 HA2 GLY A 131 -6.363 -12.088 2.424 1.00 10.07 H new ATOM 0 HA3 GLY A 131 -5.969 -13.753 2.805 1.00 10.07 H new ATOM 642 N ASN A 132 -3.226 -12.355 2.959 1.00 8.58 N ATOM 643 CA ASN A 132 -2.111 -11.921 3.793 1.00 7.89 C ATOM 644 C ASN A 132 -2.009 -10.400 3.804 1.00 6.95 C ATOM 645 O ASN A 132 -2.483 -9.733 2.884 1.00 6.64 O ATOM 646 CB ASN A 132 -0.801 -12.528 3.284 1.00 7.85 C ATOM 647 CG ASN A 132 -0.086 -13.342 4.348 1.00 7.69 C ATOM 648 OD1 ASN A 132 -0.714 -13.880 5.261 1.00 7.99 O ATOM 649 ND2 ASN A 132 1.232 -13.439 4.231 1.00 7.49 N ATOM 0 H ASN A 132 -2.958 -12.664 2.024 1.00 8.58 H new ATOM 0 HA ASN A 132 -2.290 -12.266 4.811 1.00 7.89 H new ATOM 0 HB2 ASN A 132 -1.009 -13.164 2.423 1.00 7.85 H new ATOM 0 HB3 ASN A 132 -0.144 -11.730 2.939 1.00 7.85 H new ATOM 0 HD21 ASN A 132 1.766 -13.976 4.914 1.00 7.49 H new ATOM 0 HD22 ASN A 132 1.711 -12.977 3.458 1.00 7.49 H new ATOM 656 N ARG A 133 -1.392 -9.853 4.846 1.00 6.59 N ATOM 657 CA ARG A 133 -1.236 -8.408 4.969 1.00 5.87 C ATOM 658 C ARG A 133 0.218 -8.033 5.237 1.00 5.31 C ATOM 659 O ARG A 133 0.917 -8.709 5.992 1.00 5.65 O ATOM 660 CB ARG A 133 -2.128 -7.873 6.091 1.00 6.37 C ATOM 661 CG ARG A 133 -2.543 -6.423 5.900 1.00 6.55 C ATOM 662 CD ARG A 133 -3.824 -6.106 6.654 1.00 7.46 C ATOM 663 NE ARG A 133 -3.672 -6.297 8.094 1.00 7.96 N ATOM 664 CZ ARG A 133 -4.009 -5.384 9.000 1.00 8.74 C ATOM 665 NH1 ARG A 133 -4.514 -4.218 8.617 1.00 9.12 N ATOM 666 NH2 ARG A 133 -3.840 -5.636 10.291 1.00 9.35 N ATOM 0 H ARG A 133 -0.992 -10.388 5.617 1.00 6.59 H new ATOM 0 HA ARG A 133 -1.538 -7.955 4.024 1.00 5.87 H new ATOM 0 HB2 ARG A 133 -3.022 -8.492 6.159 1.00 6.37 H new ATOM 0 HB3 ARG A 133 -1.601 -7.969 7.040 1.00 6.37 H new ATOM 0 HG2 ARG A 133 -1.744 -5.766 6.245 1.00 6.55 H new ATOM 0 HG3 ARG A 133 -2.685 -6.221 4.838 1.00 6.55 H new ATOM 0 HD2 ARG A 133 -4.117 -5.075 6.454 1.00 7.46 H new ATOM 0 HD3 ARG A 133 -4.628 -6.743 6.287 1.00 7.46 H new ATOM 0 HE ARG A 133 -3.285 -7.181 8.424 1.00 7.96 H new ATOM 0 HH11 ARG A 133 -4.645 -4.020 7.625 1.00 9.12 H new ATOM 0 HH12 ARG A 133 -4.771 -3.520 9.315 1.00 9.12 H new ATOM 0 HH21 ARG A 133 -3.451 -6.531 10.589 1.00 9.35 H new ATOM 0 HH22 ARG A 133 -4.099 -4.935 10.986 1.00 9.35 H new ATOM 680 N GLU A 134 0.666 -6.948 4.613 1.00 4.60 N ATOM 681 CA GLU A 134 2.035 -6.473 4.782 1.00 4.37 C ATOM 682 C GLU A 134 2.099 -4.954 4.656 1.00 4.10 C ATOM 683 O GLU A 134 1.236 -4.339 4.032 1.00 3.69 O ATOM 684 CB GLU A 134 2.955 -7.122 3.745 1.00 4.32 C ATOM 685 CG GLU A 134 3.609 -8.406 4.229 1.00 4.69 C ATOM 686 CD GLU A 134 5.040 -8.195 4.685 1.00 5.28 C ATOM 687 OE1 GLU A 134 5.874 -7.778 3.854 1.00 5.49 O ATOM 688 OE2 GLU A 134 5.328 -8.449 5.874 1.00 5.81 O ATOM 0 H GLU A 134 0.099 -6.380 3.984 1.00 4.60 H new ATOM 0 HA GLU A 134 2.372 -6.753 5.780 1.00 4.37 H new ATOM 0 HB2 GLU A 134 2.380 -7.335 2.844 1.00 4.32 H new ATOM 0 HB3 GLU A 134 3.733 -6.411 3.466 1.00 4.32 H new ATOM 0 HG2 GLU A 134 3.026 -8.818 5.053 1.00 4.69 H new ATOM 0 HG3 GLU A 134 3.592 -9.143 3.426 1.00 4.69 H new ATOM 695 N GLU A 135 3.123 -4.356 5.257 1.00 4.58 N ATOM 696 CA GLU A 135 3.293 -2.907 5.215 1.00 4.87 C ATOM 697 C GLU A 135 4.277 -2.498 4.123 1.00 4.79 C ATOM 698 O GLU A 135 5.216 -3.231 3.811 1.00 5.09 O ATOM 699 CB GLU A 135 3.777 -2.388 6.570 1.00 5.81 C ATOM 700 CG GLU A 135 3.595 -0.890 6.748 1.00 6.48 C ATOM 701 CD GLU A 135 3.114 -0.520 8.136 1.00 7.38 C ATOM 702 OE1 GLU A 135 3.565 -1.159 9.111 1.00 7.86 O ATOM 703 OE2 GLU A 135 2.283 0.407 8.249 1.00 7.78 O ATOM 0 H GLU A 135 3.847 -4.851 5.778 1.00 4.58 H new ATOM 0 HA GLU A 135 2.323 -2.465 4.987 1.00 4.87 H new ATOM 0 HB2 GLU A 135 3.238 -2.908 7.362 1.00 5.81 H new ATOM 0 HB3 GLU A 135 4.832 -2.634 6.688 1.00 5.81 H new ATOM 0 HG2 GLU A 135 4.542 -0.387 6.550 1.00 6.48 H new ATOM 0 HG3 GLU A 135 2.880 -0.525 6.011 1.00 6.48 H new ATOM 710 N GLN A 136 4.055 -1.318 3.551 1.00 4.64 N ATOM 711 CA GLN A 136 4.919 -0.799 2.495 1.00 4.84 C ATOM 712 C GLN A 136 5.086 0.713 2.629 1.00 5.56 C ATOM 713 O GLN A 136 4.472 1.339 3.496 1.00 5.86 O ATOM 714 CB GLN A 136 4.345 -1.141 1.119 1.00 4.04 C ATOM 715 CG GLN A 136 5.401 -1.281 0.033 1.00 4.34 C ATOM 716 CD GLN A 136 6.546 -2.187 0.442 1.00 4.37 C ATOM 717 OE1 GLN A 136 7.555 -1.726 0.977 1.00 4.53 O ATOM 718 NE2 GLN A 136 6.397 -3.480 0.189 1.00 4.63 N ATOM 0 H GLN A 136 3.282 -0.702 3.802 1.00 4.64 H new ATOM 0 HA GLN A 136 5.898 -1.268 2.596 1.00 4.84 H new ATOM 0 HB2 GLN A 136 3.784 -2.073 1.191 1.00 4.04 H new ATOM 0 HB3 GLN A 136 3.637 -0.365 0.827 1.00 4.04 H new ATOM 0 HG2 GLN A 136 4.936 -1.675 -0.871 1.00 4.34 H new ATOM 0 HG3 GLN A 136 5.794 -0.295 -0.215 1.00 4.34 H new ATOM 0 HE21 GLN A 136 5.544 -3.818 -0.256 1.00 4.63 H new ATOM 0 HE22 GLN A 136 7.136 -4.137 0.439 1.00 4.63 H new ATOM 727 N ASN A 137 5.921 1.293 1.775 1.00 6.06 N ATOM 728 CA ASN A 137 6.172 2.729 1.804 1.00 6.90 C ATOM 729 C ASN A 137 5.385 3.449 0.712 1.00 6.54 C ATOM 730 O ASN A 137 5.214 2.930 -0.390 1.00 5.95 O ATOM 731 CB ASN A 137 7.666 3.009 1.639 1.00 7.87 C ATOM 732 CG ASN A 137 8.526 1.906 2.227 1.00 8.40 C ATOM 733 OD1 ASN A 137 9.275 1.239 1.513 1.00 8.92 O ATOM 734 ND2 ASN A 137 8.421 1.709 3.537 1.00 8.47 N ATOM 0 H ASN A 137 6.437 0.790 1.053 1.00 6.06 H new ATOM 0 HA ASN A 137 5.840 3.107 2.771 1.00 6.90 H new ATOM 0 HB2 ASN A 137 7.898 3.122 0.580 1.00 7.87 H new ATOM 0 HB3 ASN A 137 7.912 3.955 2.122 1.00 7.87 H new ATOM 0 HD21 ASN A 137 8.974 0.981 3.989 1.00 8.47 H new ATOM 0 HD22 ASN A 137 7.787 2.286 4.090 1.00 8.47 H new ATOM 741 N LEU A 138 4.907 4.650 1.033 1.00 7.04 N ATOM 742 CA LEU A 138 4.135 5.449 0.089 1.00 6.90 C ATOM 743 C LEU A 138 4.939 5.734 -1.178 1.00 7.16 C ATOM 744 O LEU A 138 4.416 5.649 -2.288 1.00 6.67 O ATOM 745 CB LEU A 138 3.703 6.765 0.737 1.00 7.77 C ATOM 746 CG LEU A 138 2.853 6.615 2.000 1.00 7.75 C ATOM 747 CD1 LEU A 138 3.430 7.449 3.133 1.00 8.95 C ATOM 748 CD2 LEU A 138 1.412 7.013 1.722 1.00 7.32 C ATOM 0 H LEU A 138 5.042 5.090 1.943 1.00 7.04 H new ATOM 0 HA LEU A 138 3.249 4.877 -0.188 1.00 6.90 H new ATOM 0 HB2 LEU A 138 4.595 7.341 0.984 1.00 7.77 H new ATOM 0 HB3 LEU A 138 3.141 7.345 0.006 1.00 7.77 H new ATOM 0 HG LEU A 138 2.867 5.568 2.303 1.00 7.75 H new ATOM 0 HD11 LEU A 138 2.813 7.330 4.023 1.00 8.95 H new ATOM 0 HD12 LEU A 138 4.446 7.117 3.349 1.00 8.95 H new ATOM 0 HD13 LEU A 138 3.446 8.499 2.840 1.00 8.95 H new ATOM 0 HD21 LEU A 138 0.821 6.900 2.631 1.00 7.32 H new ATOM 0 HD22 LEU A 138 1.378 8.052 1.394 1.00 7.32 H new ATOM 0 HD23 LEU A 138 1.002 6.373 0.941 1.00 7.32 H new ATOM 760 N SER A 139 6.212 6.076 -1.001 1.00 8.07 N ATOM 761 CA SER A 139 7.087 6.377 -2.129 1.00 8.59 C ATOM 762 C SER A 139 7.308 5.141 -2.996 1.00 8.04 C ATOM 763 O SER A 139 7.744 5.246 -4.142 1.00 8.40 O ATOM 764 CB SER A 139 8.432 6.907 -1.629 1.00 9.76 C ATOM 765 OG SER A 139 8.249 7.901 -0.634 1.00 10.26 O ATOM 0 H SER A 139 6.660 6.151 -0.088 1.00 8.07 H new ATOM 0 HA SER A 139 6.603 7.142 -2.736 1.00 8.59 H new ATOM 0 HB2 SER A 139 9.022 6.086 -1.223 1.00 9.76 H new ATOM 0 HB3 SER A 139 8.996 7.323 -2.464 1.00 9.76 H new ATOM 0 HG SER A 139 9.123 8.223 -0.329 1.00 10.26 H new ATOM 771 N ASP A 140 7.012 3.971 -2.439 1.00 7.28 N ATOM 772 CA ASP A 140 7.184 2.715 -3.160 1.00 6.90 C ATOM 773 C ASP A 140 5.841 2.151 -3.617 1.00 5.82 C ATOM 774 O ASP A 140 5.768 1.028 -4.116 1.00 5.53 O ATOM 775 CB ASP A 140 7.904 1.693 -2.278 1.00 6.97 C ATOM 776 CG ASP A 140 9.413 1.764 -2.425 1.00 7.80 C ATOM 777 OD1 ASP A 140 9.894 1.813 -3.577 1.00 8.30 O ATOM 778 OD2 ASP A 140 10.110 1.768 -1.390 1.00 8.12 O ATOM 0 H ASP A 140 6.652 3.867 -1.490 1.00 7.28 H new ATOM 0 HA ASP A 140 7.788 2.917 -4.044 1.00 6.90 H new ATOM 0 HB2 ASP A 140 7.635 1.863 -1.236 1.00 6.97 H new ATOM 0 HB3 ASP A 140 7.563 0.690 -2.536 1.00 6.97 H new ATOM 783 N LEU A 141 4.782 2.936 -3.444 1.00 5.41 N ATOM 784 CA LEU A 141 3.445 2.509 -3.841 1.00 4.46 C ATOM 785 C LEU A 141 3.284 2.569 -5.358 1.00 4.72 C ATOM 786 O LEU A 141 3.627 3.568 -5.990 1.00 5.47 O ATOM 787 CB LEU A 141 2.380 3.383 -3.169 1.00 4.23 C ATOM 788 CG LEU A 141 2.140 3.096 -1.684 1.00 3.96 C ATOM 789 CD1 LEU A 141 1.060 4.015 -1.134 1.00 4.31 C ATOM 790 CD2 LEU A 141 1.760 1.637 -1.471 1.00 3.01 C ATOM 0 H LEU A 141 4.824 3.868 -3.033 1.00 5.41 H new ATOM 0 HA LEU A 141 3.312 1.477 -3.517 1.00 4.46 H new ATOM 0 HB2 LEU A 141 2.670 4.428 -3.278 1.00 4.23 H new ATOM 0 HB3 LEU A 141 1.439 3.256 -3.704 1.00 4.23 H new ATOM 0 HG LEU A 141 3.067 3.288 -1.144 1.00 3.96 H new ATOM 0 HD11 LEU A 141 0.901 3.798 -0.078 1.00 4.31 H new ATOM 0 HD12 LEU A 141 1.372 5.053 -1.249 1.00 4.31 H new ATOM 0 HD13 LEU A 141 0.131 3.853 -1.681 1.00 4.31 H new ATOM 0 HD21 LEU A 141 1.594 1.455 -0.409 1.00 3.01 H new ATOM 0 HD22 LEU A 141 0.848 1.414 -2.024 1.00 3.01 H new ATOM 0 HD23 LEU A 141 2.566 0.995 -1.827 1.00 3.01 H new ATOM 802 N LEU A 142 2.762 1.490 -5.936 1.00 4.30 N ATOM 803 CA LEU A 142 2.557 1.418 -7.378 1.00 4.79 C ATOM 804 C LEU A 142 1.080 1.546 -7.728 1.00 4.37 C ATOM 805 O LEU A 142 0.211 1.295 -6.893 1.00 3.72 O ATOM 806 CB LEU A 142 3.107 0.097 -7.926 1.00 5.32 C ATOM 807 CG LEU A 142 4.555 -0.212 -7.543 1.00 5.88 C ATOM 808 CD1 LEU A 142 4.649 -1.571 -6.868 1.00 6.01 C ATOM 809 CD2 LEU A 142 5.452 -0.159 -8.770 1.00 6.92 C ATOM 0 H LEU A 142 2.474 0.654 -5.427 1.00 4.30 H new ATOM 0 HA LEU A 142 3.093 2.249 -7.836 1.00 4.79 H new ATOM 0 HB2 LEU A 142 2.473 -0.717 -7.574 1.00 5.32 H new ATOM 0 HB3 LEU A 142 3.031 0.113 -9.013 1.00 5.32 H new ATOM 0 HG LEU A 142 4.895 0.545 -6.836 1.00 5.88 H new ATOM 0 HD11 LEU A 142 5.686 -1.774 -6.602 1.00 6.01 H new ATOM 0 HD12 LEU A 142 4.037 -1.573 -5.966 1.00 6.01 H new ATOM 0 HD13 LEU A 142 4.292 -2.342 -7.551 1.00 6.01 H new ATOM 0 HD21 LEU A 142 6.479 -0.381 -8.480 1.00 6.92 H new ATOM 0 HD22 LEU A 142 5.114 -0.895 -9.500 1.00 6.92 H new ATOM 0 HD23 LEU A 142 5.407 0.837 -9.211 1.00 6.92 H new ATOM 821 N SER A 143 0.802 1.935 -8.969 1.00 4.93 N ATOM 822 CA SER A 143 -0.572 2.093 -9.434 1.00 4.89 C ATOM 823 C SER A 143 -1.123 0.763 -9.948 1.00 5.19 C ATOM 824 O SER A 143 -0.356 -0.152 -10.254 1.00 5.64 O ATOM 825 CB SER A 143 -0.634 3.149 -10.539 1.00 5.50 C ATOM 826 OG SER A 143 -0.065 2.663 -11.742 1.00 6.07 O ATOM 0 H SER A 143 1.511 2.147 -9.671 1.00 4.93 H new ATOM 0 HA SER A 143 -1.185 2.420 -8.594 1.00 4.89 H new ATOM 0 HB2 SER A 143 -1.671 3.436 -10.714 1.00 5.50 H new ATOM 0 HB3 SER A 143 -0.104 4.046 -10.219 1.00 5.50 H new ATOM 0 HG SER A 143 -0.119 3.356 -12.433 1.00 6.07 H new ATOM 832 N PRO A 144 -2.462 0.631 -10.051 1.00 5.25 N ATOM 833 CA PRO A 144 -3.104 -0.596 -10.531 1.00 5.91 C ATOM 834 C PRO A 144 -2.464 -1.119 -11.815 1.00 6.73 C ATOM 835 O PRO A 144 -2.246 -0.367 -12.764 1.00 7.04 O ATOM 836 CB PRO A 144 -4.562 -0.178 -10.788 1.00 6.05 C ATOM 837 CG PRO A 144 -4.596 1.309 -10.625 1.00 5.71 C ATOM 838 CD PRO A 144 -3.458 1.655 -9.713 1.00 5.04 C ATOM 0 HA PRO A 144 -3.008 -1.408 -9.810 1.00 5.91 H new ATOM 0 HB2 PRO A 144 -4.881 -0.469 -11.789 1.00 6.05 H new ATOM 0 HB3 PRO A 144 -5.238 -0.664 -10.084 1.00 6.05 H new ATOM 0 HG2 PRO A 144 -4.489 1.809 -11.588 1.00 5.71 H new ATOM 0 HG3 PRO A 144 -5.547 1.633 -10.201 1.00 5.71 H new ATOM 0 HD2 PRO A 144 -3.083 2.662 -9.895 1.00 5.04 H new ATOM 0 HD3 PRO A 144 -3.749 1.608 -8.664 1.00 5.04 H new ATOM 846 N ILE A 145 -2.160 -2.414 -11.828 1.00 7.30 N ATOM 847 CA ILE A 145 -1.538 -3.047 -12.986 1.00 8.19 C ATOM 848 C ILE A 145 -2.455 -3.015 -14.203 1.00 8.35 C ATOM 849 O ILE A 145 -3.592 -2.546 -14.129 1.00 8.81 O ATOM 850 CB ILE A 145 -1.153 -4.508 -12.685 1.00 8.86 C ATOM 851 CG1 ILE A 145 -2.390 -5.315 -12.282 1.00 9.14 C ATOM 852 CG2 ILE A 145 -0.098 -4.563 -11.589 1.00 9.47 C ATOM 853 CD1 ILE A 145 -2.160 -6.811 -12.276 1.00 9.94 C ATOM 0 H ILE A 145 -2.335 -3.046 -11.047 1.00 7.30 H new ATOM 0 HA ILE A 145 -0.637 -2.475 -13.207 1.00 8.19 H new ATOM 0 HB ILE A 145 -0.734 -4.950 -13.589 1.00 8.86 H new ATOM 0 HG12 ILE A 145 -2.711 -5.001 -11.289 1.00 9.14 H new ATOM 0 HG13 ILE A 145 -3.204 -5.083 -12.968 1.00 9.14 H new ATOM 0 HG21 ILE A 145 0.164 -5.602 -11.388 1.00 9.47 H new ATOM 0 HG22 ILE A 145 0.791 -4.021 -11.912 1.00 9.47 H new ATOM 0 HG23 ILE A 145 -0.492 -4.106 -10.681 1.00 9.47 H new ATOM 0 HD11 ILE A 145 -3.078 -7.319 -11.981 1.00 9.94 H new ATOM 0 HD12 ILE A 145 -1.868 -7.138 -13.274 1.00 9.94 H new ATOM 0 HD13 ILE A 145 -1.367 -7.054 -11.568 1.00 9.94 H new TER 865 ILE A 145