USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 2MR HXT : A1148 2MR OXT : A1148 2MR C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -168:sc= 1.31 USER MOD Set 1.2: A 136 GLN : amide:sc= 0.349 K(o=1.7,f=-2.1!) USER MOD Set 2.1: A 112 THR OG1 : rot 79:sc= 0.392 USER MOD Set 2.2: A 128 THR OG1 : rot 161:sc= 0.408 USER MOD Set 3.1: A 85 THR OG1 : rot -122:sc= 0.166 USER MOD Set 3.2: A 90 GLN : amide:sc= 0.156 X(o=0.32,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 1.05 (180deg=1.01) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -16:sc= 0.437 USER MOD Single : A 99 SER OG : rot 136:sc= -1.13 USER MOD Single : A 103 SER OG : rot 136:sc= 1.06 USER MOD Single : A 107 CYS SG : rot 53:sc= 0.103 USER MOD Single : A 109 TYR OH : rot 57:sc= 0.849 USER MOD Single : A 115 SER OG : rot -2:sc= 0.577 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 123 CYS SG : rot -15:sc= -4.19! USER MOD Single : A 130 TYR OH : rot -130:sc= 0.0391 USER MOD Single : A 132 ASN : amide:sc= -2.73! K(o=-2.7!,f=-2.2) USER MOD Single : A 137 ASN : amide:sc= -0.0171 X(o=-0.017,f=-0.27) USER MOD Single : A 139 SER OG : rot 180:sc= -0.107 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -12.774 -12.810 -8.676 1.00 0.00 N ATOM 2 CA ASN A 84 -13.205 -13.427 -7.424 1.00 0.00 C ATOM 3 C ASN A 84 -12.580 -12.699 -6.257 1.00 0.00 C ATOM 4 O ASN A 84 -11.366 -12.485 -6.230 1.00 0.00 O ATOM 5 CB ASN A 84 -12.780 -14.893 -7.374 1.00 0.00 C ATOM 6 CG ASN A 84 -13.201 -15.589 -6.085 1.00 0.00 C ATOM 7 OD1 ASN A 84 -14.243 -15.280 -5.501 1.00 0.00 O ATOM 8 ND2 ASN A 84 -12.382 -16.490 -5.609 1.00 0.00 N ATOM 0 HA ASN A 84 -14.292 -13.366 -7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.213 -15.421 -8.224 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.697 -14.956 -7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.597 -16.961 -4.730 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.528 -16.722 -6.117 1.00 0.00 H new ATOM 17 N THR A 85 -13.381 -12.332 -5.299 1.00 0.00 N ATOM 18 CA THR A 85 -12.907 -11.667 -4.136 1.00 0.00 C ATOM 19 C THR A 85 -12.532 -12.724 -3.080 1.00 0.00 C ATOM 20 O THR A 85 -13.370 -13.157 -2.291 1.00 0.00 O ATOM 21 CB THR A 85 -13.998 -10.716 -3.601 1.00 0.00 C ATOM 22 OG1 THR A 85 -14.473 -9.898 -4.690 1.00 0.00 O ATOM 23 CG2 THR A 85 -13.459 -9.818 -2.501 1.00 0.00 C ATOM 0 H THR A 85 -14.389 -12.490 -5.310 1.00 0.00 H new ATOM 0 HA THR A 85 -12.025 -11.072 -4.373 1.00 0.00 H new ATOM 0 HB THR A 85 -14.808 -11.315 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 85 -14.346 -8.952 -4.468 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.253 -9.161 -2.146 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.099 -10.431 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.638 -9.217 -2.892 1.00 0.00 H new ATOM 31 N ALA A 86 -11.297 -13.189 -3.154 1.00 0.00 N ATOM 32 CA ALA A 86 -10.786 -14.214 -2.249 1.00 0.00 C ATOM 33 C ALA A 86 -9.984 -13.574 -1.130 1.00 0.00 C ATOM 34 O ALA A 86 -9.618 -14.220 -0.146 1.00 0.00 O ATOM 35 CB ALA A 86 -9.918 -15.199 -3.021 1.00 0.00 C ATOM 0 H ALA A 86 -10.616 -12.869 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.627 -14.751 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.540 -15.962 -2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -10.512 -15.673 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.080 -14.669 -3.474 1.00 0.00 H new ATOM 41 N ALA A 87 -9.690 -12.320 -1.304 1.00 0.00 N ATOM 42 CA ALA A 87 -8.972 -11.537 -0.341 1.00 0.00 C ATOM 43 C ALA A 87 -9.511 -10.143 -0.411 1.00 0.00 C ATOM 44 O ALA A 87 -10.148 -9.782 -1.411 1.00 0.00 O ATOM 45 CB ALA A 87 -7.482 -11.535 -0.658 1.00 0.00 C ATOM 0 H ALA A 87 -9.949 -11.799 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.098 -11.954 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.953 -10.936 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.104 -12.557 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.321 -11.111 -1.649 1.00 0.00 H new ATOM 51 N SER A 88 -9.286 -9.359 0.605 1.00 0.00 N ATOM 52 CA SER A 88 -9.736 -8.001 0.587 1.00 0.00 C ATOM 53 C SER A 88 -8.712 -7.148 -0.139 1.00 0.00 C ATOM 54 O SER A 88 -7.796 -6.598 0.460 1.00 0.00 O ATOM 55 CB SER A 88 -9.975 -7.493 1.998 1.00 0.00 C ATOM 56 OG SER A 88 -10.855 -8.354 2.709 1.00 0.00 O ATOM 0 H SER A 88 -8.794 -9.639 1.454 1.00 0.00 H new ATOM 0 HA SER A 88 -10.687 -7.941 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.025 -7.421 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.396 -6.488 1.960 1.00 0.00 H new ATOM 0 HG SER A 88 -10.992 -8.006 3.615 1.00 0.00 H new ATOM 62 N LEU A 89 -8.825 -7.125 -1.435 1.00 0.00 N ATOM 63 CA LEU A 89 -7.884 -6.431 -2.259 1.00 0.00 C ATOM 64 C LEU A 89 -8.566 -5.252 -2.926 1.00 0.00 C ATOM 65 O LEU A 89 -7.971 -4.496 -3.686 1.00 0.00 O ATOM 66 CB LEU A 89 -7.305 -7.416 -3.265 1.00 0.00 C ATOM 67 CG LEU A 89 -5.783 -7.423 -3.410 1.00 0.00 C ATOM 68 CD1 LEU A 89 -5.359 -8.554 -4.304 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.280 -6.112 -3.963 1.00 0.00 C ATOM 0 H LEU A 89 -9.574 -7.588 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.062 -6.030 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.626 -8.419 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.740 -7.203 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.349 -7.561 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.273 -8.553 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.683 -9.501 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.813 -8.430 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.194 -6.148 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.721 -5.938 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.561 -5.302 -3.290 1.00 0.00 H new ATOM 81 N GLN A 90 -9.817 -5.114 -2.632 1.00 0.00 N ATOM 82 CA GLN A 90 -10.604 -4.003 -3.136 1.00 0.00 C ATOM 83 C GLN A 90 -10.917 -3.031 -2.006 1.00 0.00 C ATOM 84 O GLN A 90 -11.209 -1.856 -2.228 1.00 0.00 O ATOM 85 CB GLN A 90 -11.888 -4.493 -3.807 1.00 0.00 C ATOM 86 CG GLN A 90 -12.779 -5.333 -2.906 1.00 0.00 C ATOM 87 CD GLN A 90 -14.057 -5.753 -3.584 1.00 0.00 C ATOM 88 OE1 GLN A 90 -14.120 -6.798 -4.232 1.00 0.00 O ATOM 89 NE2 GLN A 90 -15.078 -4.953 -3.453 1.00 0.00 N ATOM 0 H GLN A 90 -10.335 -5.760 -2.037 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.018 -3.482 -3.893 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.454 -3.630 -4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.624 -5.079 -4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.233 -6.221 -2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.019 -4.765 -2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.987 -4.096 -2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.967 -5.185 -3.895 1.00 0.00 H new ATOM 98 N GLN A 91 -10.858 -3.528 -0.796 1.00 0.00 N ATOM 99 CA GLN A 91 -11.082 -2.723 0.365 1.00 0.00 C ATOM 100 C GLN A 91 -10.126 -3.160 1.448 1.00 0.00 C ATOM 101 O GLN A 91 -9.929 -4.354 1.688 1.00 0.00 O ATOM 102 CB GLN A 91 -12.540 -2.780 0.841 1.00 0.00 C ATOM 103 CG GLN A 91 -13.010 -4.149 1.260 1.00 0.00 C ATOM 104 CD GLN A 91 -14.446 -4.148 1.730 1.00 0.00 C ATOM 105 OE1 GLN A 91 -15.376 -4.361 0.947 1.00 0.00 O ATOM 106 NE2 GLN A 91 -14.651 -3.890 2.996 1.00 0.00 N ATOM 0 H GLN A 91 -10.652 -4.506 -0.594 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.894 -1.680 0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.661 -2.096 1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.184 -2.418 0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.906 -4.838 0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.369 -4.521 2.060 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.860 -3.719 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.602 -3.860 3.363 1.00 0.00 H new ATOM 115 N TRP A 92 -9.536 -2.215 2.068 1.00 0.00 N ATOM 116 CA TRP A 92 -8.526 -2.426 3.060 1.00 0.00 C ATOM 117 C TRP A 92 -8.902 -1.637 4.271 1.00 0.00 C ATOM 118 O TRP A 92 -9.830 -0.822 4.196 1.00 0.00 O ATOM 119 CB TRP A 92 -7.177 -1.963 2.542 1.00 0.00 C ATOM 120 CG TRP A 92 -6.677 -2.710 1.341 1.00 0.00 C ATOM 121 CD1 TRP A 92 -7.045 -2.515 0.046 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.692 -3.748 1.327 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.368 -3.368 -0.773 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.523 -4.140 -0.013 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.939 -4.385 2.318 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.628 -5.138 -0.389 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -4.049 -5.374 1.940 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.902 -5.739 0.600 1.00 0.00 C ATOM 0 H TRP A 92 -9.742 -1.230 1.902 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.452 -3.486 3.302 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.243 -0.904 2.293 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.444 -2.057 3.343 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.771 -1.787 -0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.472 -3.424 -1.786 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.050 -4.111 3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.512 -5.426 -1.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.458 -5.872 2.694 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.198 -6.515 0.339 1.00 0.00 H new ATOM 139 N LYS A 93 -8.284 -1.906 5.389 1.00 0.00 N ATOM 140 CA LYS A 93 -8.569 -1.137 6.575 1.00 0.00 C ATOM 141 C LYS A 93 -7.261 -0.586 7.128 1.00 0.00 C ATOM 142 O LYS A 93 -6.188 -1.144 6.870 1.00 0.00 O ATOM 143 CB LYS A 93 -9.297 -1.992 7.615 1.00 0.00 C ATOM 144 CG LYS A 93 -8.415 -2.973 8.350 1.00 0.00 C ATOM 145 CD LYS A 93 -9.240 -3.998 9.113 1.00 0.00 C ATOM 146 CE LYS A 93 -9.895 -5.021 8.178 1.00 0.00 C ATOM 147 NZ LYS A 93 -8.893 -5.905 7.531 1.00 0.00 N ATOM 0 H LYS A 93 -7.588 -2.642 5.506 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.229 -0.307 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.769 -1.332 8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.096 -2.543 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.765 -3.483 7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.769 -2.435 9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.602 -4.517 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.012 -3.486 9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.602 -5.628 8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.466 -4.498 7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.382 -6.655 7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.307 -5.346 6.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.287 -6.334 8.259 1.00 0.00 H new ATOM 161 N VAL A 94 -7.342 0.515 7.835 1.00 0.00 N ATOM 162 CA VAL A 94 -6.186 1.124 8.453 1.00 0.00 C ATOM 163 C VAL A 94 -5.611 0.177 9.494 1.00 0.00 C ATOM 164 O VAL A 94 -6.344 -0.338 10.348 1.00 0.00 O ATOM 165 CB VAL A 94 -6.555 2.484 9.106 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.379 3.088 9.834 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.060 3.449 8.055 1.00 0.00 C ATOM 0 H VAL A 94 -8.215 1.017 7.999 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.438 1.315 7.684 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.343 2.297 9.836 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.675 4.038 10.278 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.049 2.408 10.619 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.563 3.254 9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.315 4.398 8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.284 3.612 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.945 3.033 7.574 1.00 0.00 H new ATOM 177 N GLY A 95 -4.329 -0.063 9.414 1.00 0.00 N ATOM 178 CA GLY A 95 -3.707 -0.976 10.324 1.00 0.00 C ATOM 179 C GLY A 95 -3.386 -2.298 9.670 1.00 0.00 C ATOM 180 O GLY A 95 -2.907 -3.231 10.329 1.00 0.00 O ATOM 0 H GLY A 95 -3.701 0.360 8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.790 -0.532 10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.366 -1.144 11.176 1.00 0.00 H new ATOM 184 N ASP A 96 -3.653 -2.401 8.388 1.00 0.00 N ATOM 185 CA ASP A 96 -3.330 -3.615 7.646 1.00 0.00 C ATOM 186 C ASP A 96 -2.044 -3.454 6.920 1.00 0.00 C ATOM 187 O ASP A 96 -1.764 -2.391 6.364 1.00 0.00 O ATOM 188 CB ASP A 96 -4.405 -4.044 6.621 1.00 0.00 C ATOM 189 CG ASP A 96 -5.520 -4.890 7.168 1.00 0.00 C ATOM 190 OD1 ASP A 96 -5.261 -5.760 8.032 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.666 -4.767 6.685 1.00 0.00 O ATOM 0 H ASP A 96 -4.091 -1.666 7.832 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.270 -4.396 8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.837 -3.147 6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.916 -4.594 5.817 1.00 0.00 H new ATOM 196 N LYS A 97 -1.230 -4.459 6.978 1.00 0.00 N ATOM 197 CA LYS A 97 -0.058 -4.520 6.213 1.00 0.00 C ATOM 198 C LYS A 97 -0.387 -4.979 4.822 1.00 0.00 C ATOM 199 O LYS A 97 -1.265 -5.819 4.616 1.00 0.00 O ATOM 200 CB LYS A 97 0.847 -5.470 6.882 1.00 0.00 C ATOM 201 CG LYS A 97 1.194 -4.983 8.262 1.00 0.00 C ATOM 202 CD LYS A 97 1.228 -6.099 9.248 1.00 0.00 C ATOM 203 CE LYS A 97 -0.163 -6.536 9.619 1.00 0.00 C ATOM 204 NZ LYS A 97 -0.162 -7.610 10.629 1.00 0.00 N ATOM 0 H LYS A 97 -1.378 -5.271 7.577 1.00 0.00 H new ATOM 0 HA LYS A 97 0.417 -3.542 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.374 -6.450 6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.756 -5.591 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.165 -4.488 8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.464 -4.239 8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.778 -6.942 8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.764 -5.782 10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.720 -5.681 10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.683 -6.881 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.142 -7.877 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.346 -8.437 10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.311 -7.274 11.492 1.00 0.00 H new ATOM 218 N CYS A 98 0.300 -4.438 3.899 1.00 0.00 N ATOM 219 CA CYS A 98 0.097 -4.706 2.532 1.00 0.00 C ATOM 220 C CYS A 98 1.414 -4.465 1.814 1.00 0.00 C ATOM 221 O CYS A 98 2.464 -4.357 2.453 1.00 0.00 O ATOM 222 CB CYS A 98 -0.994 -3.764 2.001 1.00 0.00 C ATOM 223 SG CYS A 98 -0.592 -2.019 2.197 1.00 0.00 S ATOM 0 H CYS A 98 1.049 -3.770 4.079 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.225 -5.735 2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.162 -3.974 0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.929 -3.974 2.520 1.00 0.00 H new ATOM 0 HG CYS A 98 0.385 -1.891 3.046 1.00 0.00 H new ATOM 229 N SER A 99 1.362 -4.419 0.544 1.00 0.00 N ATOM 230 CA SER A 99 2.493 -4.088 -0.269 1.00 0.00 C ATOM 231 C SER A 99 2.107 -2.997 -1.224 1.00 0.00 C ATOM 232 O SER A 99 0.952 -2.935 -1.671 1.00 0.00 O ATOM 233 CB SER A 99 3.010 -5.308 -1.009 1.00 0.00 C ATOM 234 OG SER A 99 3.541 -6.263 -0.114 1.00 0.00 O ATOM 0 H SER A 99 0.514 -4.614 0.011 1.00 0.00 H new ATOM 0 HA SER A 99 3.303 -3.735 0.369 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.201 -5.757 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.779 -5.006 -1.720 1.00 0.00 H new ATOM 0 HG SER A 99 3.227 -7.157 -0.365 1.00 0.00 H new ATOM 240 N ALA A 100 3.033 -2.133 -1.502 1.00 0.00 N ATOM 241 CA ALA A 100 2.800 -1.025 -2.372 1.00 0.00 C ATOM 242 C ALA A 100 3.974 -0.849 -3.301 1.00 0.00 C ATOM 243 O ALA A 100 5.068 -1.376 -3.040 1.00 0.00 O ATOM 244 CB ALA A 100 2.568 0.232 -1.560 1.00 0.00 C ATOM 0 H ALA A 100 3.981 -2.178 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 100 1.909 -1.218 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.391 1.072 -2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.700 0.094 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.446 0.436 -0.947 1.00 0.00 H new ATOM 250 N ILE A 101 3.746 -0.160 -4.386 1.00 0.00 N ATOM 251 CA ILE A 101 4.772 0.124 -5.351 1.00 0.00 C ATOM 252 C ILE A 101 5.397 1.460 -5.042 1.00 0.00 C ATOM 253 O ILE A 101 4.764 2.515 -5.217 1.00 0.00 O ATOM 254 CB ILE A 101 4.214 0.112 -6.800 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.865 -1.312 -7.234 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.185 0.764 -7.799 1.00 0.00 C ATOM 257 CD1 ILE A 101 5.052 -2.173 -7.578 1.00 0.00 C ATOM 0 H ILE A 101 2.832 0.224 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 101 5.528 -0.658 -5.286 1.00 0.00 H new ATOM 0 HB ILE A 101 3.302 0.710 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.303 -1.794 -6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.206 -1.262 -8.101 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.753 0.733 -8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.361 1.801 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.130 0.221 -7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.709 -3.164 -7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.604 -1.719 -8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.703 -2.259 -6.708 1.00 0.00 H new ATOM 269 N TRP A 102 6.617 1.415 -4.590 1.00 0.00 N ATOM 270 CA TRP A 102 7.339 2.605 -4.235 1.00 0.00 C ATOM 271 C TRP A 102 7.619 3.378 -5.464 1.00 0.00 C ATOM 272 O TRP A 102 8.217 2.866 -6.385 1.00 0.00 O ATOM 273 CB TRP A 102 8.642 2.258 -3.568 1.00 0.00 C ATOM 274 CG TRP A 102 9.250 3.397 -2.823 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.590 4.404 -2.184 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.630 3.631 -2.612 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.485 5.240 -1.580 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.748 4.781 -1.824 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.777 2.981 -3.007 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.978 5.277 -1.431 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.986 3.486 -2.617 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.072 4.622 -1.834 1.00 0.00 C ATOM 0 H TRP A 102 7.141 0.550 -4.456 1.00 0.00 H new ATOM 0 HA TRP A 102 6.735 3.191 -3.542 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.479 1.429 -2.879 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.347 1.911 -4.324 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.517 4.523 -2.159 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.249 6.070 -1.036 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.723 2.089 -3.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.052 6.164 -0.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.892 2.987 -2.927 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.045 4.989 -1.541 1.00 0.00 H new ATOM 293 N SER A 103 7.230 4.601 -5.461 1.00 0.00 N ATOM 294 CA SER A 103 7.373 5.461 -6.583 1.00 0.00 C ATOM 295 C SER A 103 8.825 5.730 -6.938 1.00 0.00 C ATOM 296 O SER A 103 9.147 6.104 -8.074 1.00 0.00 O ATOM 297 CB SER A 103 6.700 6.736 -6.257 1.00 0.00 C ATOM 298 OG SER A 103 5.308 6.553 -6.059 1.00 0.00 O ATOM 0 H SER A 103 6.790 5.046 -4.655 1.00 0.00 H new ATOM 0 HA SER A 103 6.926 4.976 -7.451 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.143 7.163 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.863 7.451 -7.063 1.00 0.00 H new ATOM 0 HG SER A 103 5.021 7.056 -5.268 1.00 0.00 H new ATOM 304 N GLU A 104 9.688 5.525 -5.992 1.00 0.00 N ATOM 305 CA GLU A 104 11.082 5.831 -6.192 1.00 0.00 C ATOM 306 C GLU A 104 11.840 4.703 -6.891 1.00 0.00 C ATOM 307 O GLU A 104 12.664 4.962 -7.760 1.00 0.00 O ATOM 308 CB GLU A 104 11.750 6.236 -4.900 1.00 0.00 C ATOM 309 CG GLU A 104 11.078 7.429 -4.221 1.00 0.00 C ATOM 310 CD GLU A 104 12.036 8.360 -3.501 1.00 0.00 C ATOM 311 OE1 GLU A 104 12.529 9.338 -4.123 1.00 0.00 O ATOM 312 OE2 GLU A 104 12.288 8.172 -2.299 1.00 0.00 O ATOM 0 H GLU A 104 9.459 5.148 -5.073 1.00 0.00 H new ATOM 0 HA GLU A 104 11.118 6.687 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.746 5.388 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.793 6.480 -5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.532 7.999 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.344 7.059 -3.506 1.00 0.00 H new ATOM 319 N ASP A 105 11.573 3.452 -6.526 1.00 0.00 N ATOM 320 CA ASP A 105 12.263 2.332 -7.222 1.00 0.00 C ATOM 321 C ASP A 105 11.344 1.629 -8.167 1.00 0.00 C ATOM 322 O ASP A 105 11.783 0.875 -9.028 1.00 0.00 O ATOM 323 CB ASP A 105 12.862 1.276 -6.272 1.00 0.00 C ATOM 324 CG ASP A 105 14.175 1.663 -5.637 1.00 0.00 C ATOM 325 OD1 ASP A 105 15.127 2.023 -6.366 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.303 1.550 -4.412 1.00 0.00 O ATOM 0 H ASP A 105 10.920 3.179 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 105 13.083 2.811 -7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.140 1.069 -5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.003 0.348 -6.826 1.00 0.00 H new ATOM 331 N GLY A 106 10.065 1.865 -8.003 1.00 0.00 N ATOM 332 CA GLY A 106 9.051 1.250 -8.856 1.00 0.00 C ATOM 333 C GLY A 106 8.777 -0.188 -8.466 1.00 0.00 C ATOM 334 O GLY A 106 7.974 -0.875 -9.087 1.00 0.00 O ATOM 0 H GLY A 106 9.689 2.482 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.127 1.825 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.380 1.288 -9.895 1.00 0.00 H new ATOM 338 N CYS A 107 9.458 -0.626 -7.450 1.00 0.00 N ATOM 339 CA CYS A 107 9.399 -1.948 -6.971 1.00 0.00 C ATOM 340 C CYS A 107 8.319 -2.116 -5.907 1.00 0.00 C ATOM 341 O CYS A 107 7.768 -1.127 -5.397 1.00 0.00 O ATOM 342 CB CYS A 107 10.754 -2.275 -6.416 1.00 0.00 C ATOM 343 SG CYS A 107 12.091 -2.264 -7.626 1.00 0.00 S ATOM 0 H CYS A 107 10.095 -0.033 -6.918 1.00 0.00 H new ATOM 0 HA CYS A 107 9.135 -2.629 -7.781 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.990 -1.560 -5.628 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.712 -3.260 -5.951 1.00 0.00 H new ATOM 0 HG CYS A 107 12.089 -1.132 -8.264 1.00 0.00 H new ATOM 349 N ILE A 108 8.042 -3.354 -5.573 1.00 0.00 N ATOM 350 CA ILE A 108 7.072 -3.693 -4.564 1.00 0.00 C ATOM 351 C ILE A 108 7.764 -3.744 -3.228 1.00 0.00 C ATOM 352 O ILE A 108 8.866 -4.278 -3.124 1.00 0.00 O ATOM 353 CB ILE A 108 6.459 -5.081 -4.812 1.00 0.00 C ATOM 354 CG1 ILE A 108 6.019 -5.214 -6.262 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.284 -5.282 -3.870 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.355 -6.536 -6.599 1.00 0.00 C ATOM 0 H ILE A 108 8.491 -4.164 -6.001 1.00 0.00 H new ATOM 0 HA ILE A 108 6.284 -2.941 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 108 7.207 -5.850 -4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.327 -4.405 -6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.889 -5.084 -6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.845 -6.265 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.629 -5.213 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.534 -4.512 -4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.074 -6.544 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.050 -7.353 -6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.464 -6.662 -5.985 1.00 0.00 H new ATOM 368 N TYR A 109 7.159 -3.170 -2.235 1.00 0.00 N ATOM 369 CA TYR A 109 7.701 -3.178 -0.897 1.00 0.00 C ATOM 370 C TYR A 109 6.574 -3.312 0.119 1.00 0.00 C ATOM 371 O TYR A 109 5.438 -2.909 -0.169 1.00 0.00 O ATOM 372 CB TYR A 109 8.465 -1.899 -0.622 1.00 0.00 C ATOM 373 CG TYR A 109 9.729 -1.673 -1.434 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.692 -1.034 -2.668 1.00 0.00 C ATOM 375 CD2 TYR A 109 10.964 -2.019 -0.918 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.852 -0.751 -3.358 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.128 -1.755 -1.608 1.00 0.00 C ATOM 378 CZ TYR A 109 12.068 -1.114 -2.826 1.00 0.00 C ATOM 379 OH TYR A 109 13.239 -0.840 -3.511 1.00 0.00 O ATOM 0 H TYR A 109 6.270 -2.678 -2.322 1.00 0.00 H new ATOM 0 HA TYR A 109 8.381 -4.026 -0.810 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.794 -1.058 -0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.731 -1.882 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.739 -0.755 -3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.018 -2.506 0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.806 -0.247 -4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.082 -2.049 -1.196 1.00 0.00 H new ATOM 0 HH TYR A 109 13.297 0.122 -3.688 1.00 0.00 H new ATOM 389 N PRO A 110 6.854 -3.895 1.303 1.00 0.00 N ATOM 390 CA PRO A 110 5.859 -4.043 2.365 1.00 0.00 C ATOM 391 C PRO A 110 5.531 -2.698 3.014 1.00 0.00 C ATOM 392 O PRO A 110 6.423 -1.900 3.314 1.00 0.00 O ATOM 393 CB PRO A 110 6.545 -4.959 3.383 1.00 0.00 C ATOM 394 CG PRO A 110 8.001 -4.737 3.170 1.00 0.00 C ATOM 395 CD PRO A 110 8.171 -4.437 1.707 1.00 0.00 C ATOM 0 HA PRO A 110 4.915 -4.439 1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.251 -4.708 4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.276 -6.003 3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.362 -3.910 3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.575 -5.619 3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.970 -3.715 1.537 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.425 -5.334 1.142 1.00 0.00 H new ATOM 403 N ALA A 111 4.280 -2.451 3.238 1.00 0.00 N ATOM 404 CA ALA A 111 3.848 -1.215 3.811 1.00 0.00 C ATOM 405 C ALA A 111 2.603 -1.433 4.632 1.00 0.00 C ATOM 406 O ALA A 111 1.856 -2.352 4.376 1.00 0.00 O ATOM 407 CB ALA A 111 3.584 -0.211 2.713 1.00 0.00 C ATOM 0 H ALA A 111 3.525 -3.104 3.028 1.00 0.00 H new ATOM 0 HA ALA A 111 4.631 -0.828 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.255 0.731 3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.499 -0.046 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.808 -0.593 2.050 1.00 0.00 H new ATOM 413 N THR A 112 2.375 -0.602 5.593 1.00 0.00 N ATOM 414 CA THR A 112 1.202 -0.725 6.417 1.00 0.00 C ATOM 415 C THR A 112 0.314 0.485 6.190 1.00 0.00 C ATOM 416 O THR A 112 0.803 1.610 6.124 1.00 0.00 O ATOM 417 CB THR A 112 1.564 -0.823 7.915 1.00 0.00 C ATOM 418 OG1 THR A 112 2.528 -1.881 8.113 1.00 0.00 O ATOM 419 CG2 THR A 112 0.314 -1.147 8.727 1.00 0.00 C ATOM 0 H THR A 112 2.986 0.178 5.835 1.00 0.00 H new ATOM 0 HA THR A 112 0.682 -1.642 6.140 1.00 0.00 H new ATOM 0 HB THR A 112 1.982 0.130 8.240 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.419 -1.563 7.859 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.574 -1.215 9.783 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.426 -0.359 8.586 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.100 -2.098 8.393 1.00 0.00 H new ATOM 427 N ILE A 113 -0.957 0.247 6.045 1.00 0.00 N ATOM 428 CA ILE A 113 -1.931 1.290 5.818 1.00 0.00 C ATOM 429 C ILE A 113 -2.067 2.178 7.050 1.00 0.00 C ATOM 430 O ILE A 113 -2.504 1.720 8.114 1.00 0.00 O ATOM 431 CB ILE A 113 -3.282 0.667 5.492 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.123 -0.294 4.325 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.285 1.755 5.151 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.283 -1.210 4.153 1.00 0.00 C ATOM 0 H ILE A 113 -1.358 -0.690 6.081 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.594 1.901 4.981 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.651 0.118 6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.983 0.279 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.220 -0.887 4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.249 1.302 4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.396 2.427 6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.932 2.318 4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.104 -1.868 3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.411 -1.808 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.185 -0.625 3.975 1.00 0.00 H new ATOM 446 N ALA A 114 -1.698 3.424 6.892 1.00 0.00 N ATOM 447 CA ALA A 114 -1.723 4.393 7.968 1.00 0.00 C ATOM 448 C ALA A 114 -3.029 5.169 7.978 1.00 0.00 C ATOM 449 O ALA A 114 -3.528 5.544 9.028 1.00 0.00 O ATOM 450 CB ALA A 114 -0.552 5.348 7.837 1.00 0.00 C ATOM 0 H ALA A 114 -1.367 3.802 6.004 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.642 3.853 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.580 6.072 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.382 4.787 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.614 5.872 6.883 1.00 0.00 H new ATOM 456 N SER A 115 -3.570 5.443 6.814 1.00 0.00 N ATOM 457 CA SER A 115 -4.844 6.143 6.691 1.00 0.00 C ATOM 458 C SER A 115 -5.441 5.831 5.339 1.00 0.00 C ATOM 459 O SER A 115 -4.704 5.586 4.396 1.00 0.00 O ATOM 460 CB SER A 115 -4.664 7.669 6.827 1.00 0.00 C ATOM 461 OG SER A 115 -4.085 8.028 8.083 1.00 0.00 O ATOM 0 H SER A 115 -3.146 5.191 5.921 1.00 0.00 H new ATOM 0 HA SER A 115 -5.503 5.807 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.031 8.033 6.018 1.00 0.00 H new ATOM 0 HB3 SER A 115 -5.631 8.160 6.720 1.00 0.00 H new ATOM 0 HG SER A 115 -3.954 7.222 8.625 1.00 0.00 H new ATOM 467 N ILE A 116 -6.750 5.797 5.255 1.00 0.00 N ATOM 468 CA ILE A 116 -7.434 5.543 4.014 1.00 0.00 C ATOM 469 C ILE A 116 -8.375 6.682 3.713 1.00 0.00 C ATOM 470 O ILE A 116 -9.133 7.127 4.590 1.00 0.00 O ATOM 471 CB ILE A 116 -8.262 4.236 4.066 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.375 3.057 4.413 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.962 3.993 2.729 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.110 1.765 4.543 1.00 0.00 C ATOM 0 H ILE A 116 -7.371 5.946 6.050 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.673 5.446 3.240 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.019 4.342 4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.609 2.952 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.859 3.266 5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.540 3.070 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.630 4.827 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.217 3.909 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.407 0.970 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.857 1.849 5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.603 1.531 3.600 1.00 0.00 H new ATOM 486 N ASP A 117 -8.326 7.139 2.511 1.00 0.00 N ATOM 487 CA ASP A 117 -9.208 8.153 2.033 1.00 0.00 C ATOM 488 C ASP A 117 -10.146 7.462 1.089 1.00 0.00 C ATOM 489 O ASP A 117 -9.803 7.192 -0.064 1.00 0.00 O ATOM 490 CB ASP A 117 -8.441 9.256 1.307 1.00 0.00 C ATOM 491 CG ASP A 117 -9.309 10.441 0.942 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.150 10.329 0.031 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.153 11.522 1.573 1.00 0.00 O ATOM 0 H ASP A 117 -7.657 6.812 1.814 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.737 8.633 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.620 9.595 1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.997 8.845 0.400 1.00 0.00 H new ATOM 498 N PHE A 118 -11.302 7.115 1.581 1.00 0.00 N ATOM 499 CA PHE A 118 -12.263 6.337 0.813 1.00 0.00 C ATOM 500 C PHE A 118 -12.895 7.151 -0.293 1.00 0.00 C ATOM 501 O PHE A 118 -13.499 6.599 -1.214 1.00 0.00 O ATOM 502 CB PHE A 118 -13.336 5.740 1.713 1.00 0.00 C ATOM 503 CG PHE A 118 -12.838 4.680 2.656 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.719 3.366 2.234 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.494 4.993 3.960 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.268 2.384 3.094 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.044 4.017 4.826 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.930 2.709 4.393 1.00 0.00 C ATOM 0 H PHE A 118 -11.614 7.357 2.521 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.709 5.521 0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.792 6.541 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.121 5.313 1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.982 3.106 1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.579 6.013 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.180 1.364 2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.781 4.275 5.841 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.578 1.944 5.069 1.00 0.00 H new ATOM 518 N LYS A 119 -12.733 8.447 -0.212 1.00 0.00 N ATOM 519 CA LYS A 119 -13.282 9.348 -1.197 1.00 0.00 C ATOM 520 C LYS A 119 -12.485 9.254 -2.491 1.00 0.00 C ATOM 521 O LYS A 119 -13.053 9.208 -3.592 1.00 0.00 O ATOM 522 CB LYS A 119 -13.265 10.764 -0.658 1.00 0.00 C ATOM 523 CG LYS A 119 -14.046 10.930 0.629 1.00 0.00 C ATOM 524 CD LYS A 119 -13.896 12.324 1.183 1.00 0.00 C ATOM 525 CE LYS A 119 -14.641 12.476 2.492 1.00 0.00 C ATOM 526 NZ LYS A 119 -14.469 13.819 3.070 1.00 0.00 N ATOM 0 H LYS A 119 -12.217 8.909 0.537 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.314 9.068 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.232 11.067 -0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.675 11.436 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.100 10.720 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.698 10.204 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.840 12.546 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.273 13.048 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.702 12.284 2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.286 11.728 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.995 13.882 3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.459 13.993 3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -14.831 14.532 2.405 1.00 0.00 H new ATOM 540 N ARG A 120 -11.172 9.174 -2.353 1.00 0.00 N ATOM 541 CA ARG A 120 -10.293 9.034 -3.503 1.00 0.00 C ATOM 542 C ARG A 120 -9.977 7.574 -3.745 1.00 0.00 C ATOM 543 O ARG A 120 -9.326 7.225 -4.739 1.00 0.00 O ATOM 544 CB ARG A 120 -8.983 9.785 -3.272 1.00 0.00 C ATOM 545 CG ARG A 120 -9.142 11.260 -2.987 1.00 0.00 C ATOM 546 CD ARG A 120 -9.795 11.984 -4.138 1.00 0.00 C ATOM 547 NE ARG A 120 -9.915 13.412 -3.874 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.597 14.278 -4.616 1.00 0.00 C ATOM 549 NH1 ARG A 120 -11.249 13.868 -5.694 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.610 15.555 -4.283 1.00 0.00 N ATOM 0 H ARG A 120 -10.690 9.204 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.805 9.452 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.457 9.322 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.351 9.665 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.741 11.394 -2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.165 11.700 -2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.211 11.829 -5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.784 11.563 -4.320 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.436 13.777 -3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -11.229 12.883 -5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.771 14.537 -6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -10.098 15.873 -3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.132 16.224 -4.849 1.00 0.00 H new ATOM 564 N GLU A 121 -10.422 6.731 -2.811 1.00 0.00 N ATOM 565 CA GLU A 121 -10.171 5.283 -2.812 1.00 0.00 C ATOM 566 C GLU A 121 -8.672 5.010 -2.700 1.00 0.00 C ATOM 567 O GLU A 121 -8.158 3.979 -3.156 1.00 0.00 O ATOM 568 CB GLU A 121 -10.759 4.606 -4.052 1.00 0.00 C ATOM 569 CG GLU A 121 -12.265 4.723 -4.181 1.00 0.00 C ATOM 570 CD GLU A 121 -12.765 4.012 -5.401 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.686 4.584 -6.506 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.218 2.853 -5.294 1.00 0.00 O ATOM 0 H GLU A 121 -10.979 7.040 -2.014 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.673 4.854 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.297 5.039 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.490 3.550 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.741 4.306 -3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.547 5.775 -4.229 1.00 0.00 H new ATOM 579 N THR A 122 -7.987 5.909 -2.053 1.00 0.00 N ATOM 580 CA THR A 122 -6.583 5.795 -1.873 1.00 0.00 C ATOM 581 C THR A 122 -6.266 5.701 -0.396 1.00 0.00 C ATOM 582 O THR A 122 -7.128 5.929 0.441 1.00 0.00 O ATOM 583 CB THR A 122 -5.832 6.985 -2.494 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.342 8.219 -1.956 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.964 7.000 -4.009 1.00 0.00 C ATOM 0 H THR A 122 -8.397 6.744 -1.636 1.00 0.00 H new ATOM 0 HA THR A 122 -6.251 4.890 -2.382 1.00 0.00 H new ATOM 0 HB THR A 122 -4.776 6.879 -2.245 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.859 8.973 -2.354 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.421 7.854 -4.413 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.549 6.079 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.016 7.077 -4.282 1.00 0.00 H new ATOM 593 N CYS A 123 -5.077 5.333 -0.083 1.00 0.00 N ATOM 594 CA CYS A 123 -4.645 5.236 1.265 1.00 0.00 C ATOM 595 C CYS A 123 -3.182 5.548 1.358 1.00 0.00 C ATOM 596 O CYS A 123 -2.432 5.340 0.399 1.00 0.00 O ATOM 597 CB CYS A 123 -4.918 3.840 1.788 1.00 0.00 C ATOM 598 SG CYS A 123 -4.276 2.539 0.723 1.00 0.00 S ATOM 0 H CYS A 123 -4.363 5.086 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.194 5.956 1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.476 3.739 2.779 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.994 3.707 1.903 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.984 3.036 -0.442 1.00 0.00 H new ATOM 604 N VAL A 124 -2.781 6.035 2.475 1.00 0.00 N ATOM 605 CA VAL A 124 -1.409 6.302 2.726 1.00 0.00 C ATOM 606 C VAL A 124 -0.847 5.116 3.456 1.00 0.00 C ATOM 607 O VAL A 124 -1.443 4.647 4.443 1.00 0.00 O ATOM 608 CB VAL A 124 -1.210 7.584 3.573 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.264 7.814 3.872 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.790 8.787 2.854 1.00 0.00 C ATOM 0 H VAL A 124 -3.402 6.263 3.251 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.896 6.468 1.779 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.735 7.450 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.377 8.720 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.660 6.963 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.812 7.924 2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.643 9.680 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.289 8.914 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.856 8.633 2.689 1.00 0.00 H new ATOM 620 N VAL A 125 0.264 4.627 3.000 1.00 0.00 N ATOM 621 CA VAL A 125 0.863 3.487 3.600 1.00 0.00 C ATOM 622 C VAL A 125 2.269 3.845 4.036 1.00 0.00 C ATOM 623 O VAL A 125 2.934 4.682 3.420 1.00 0.00 O ATOM 624 CB VAL A 125 0.924 2.260 2.621 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.453 1.852 2.104 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.876 2.522 1.458 1.00 0.00 C ATOM 0 H VAL A 125 0.776 5.008 2.204 1.00 0.00 H new ATOM 0 HA VAL A 125 0.249 3.197 4.453 1.00 0.00 H new ATOM 0 HB VAL A 125 1.311 1.424 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.352 1.000 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.091 1.578 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.902 2.687 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.894 1.653 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.536 3.394 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.879 2.707 1.843 1.00 0.00 H new ATOM 636 N VAL A 126 2.682 3.253 5.104 1.00 0.00 N ATOM 637 CA VAL A 126 3.986 3.447 5.648 1.00 0.00 C ATOM 638 C VAL A 126 4.806 2.231 5.345 1.00 0.00 C ATOM 639 O VAL A 126 4.447 1.129 5.750 1.00 0.00 O ATOM 640 CB VAL A 126 3.935 3.692 7.176 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.342 3.729 7.763 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.207 4.994 7.473 1.00 0.00 C ATOM 0 H VAL A 126 2.107 2.602 5.639 1.00 0.00 H new ATOM 0 HA VAL A 126 4.434 4.332 5.196 1.00 0.00 H new ATOM 0 HB VAL A 126 3.391 2.869 7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.283 3.902 8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.840 2.778 7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.910 4.534 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.177 5.156 8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.732 5.821 6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.190 4.938 7.086 1.00 0.00 H new ATOM 652 N TYR A 127 5.871 2.425 4.621 1.00 0.00 N ATOM 653 CA TYR A 127 6.730 1.347 4.218 1.00 0.00 C ATOM 654 C TYR A 127 7.440 0.772 5.387 1.00 0.00 C ATOM 655 O TYR A 127 8.327 1.414 5.997 1.00 0.00 O ATOM 656 CB TYR A 127 7.699 1.771 3.152 1.00 0.00 C ATOM 657 CG TYR A 127 7.033 2.075 1.846 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.604 1.042 1.016 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.822 3.379 1.438 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.991 1.305 -0.180 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.202 3.644 0.250 1.00 0.00 C ATOM 662 CZ TYR A 127 5.791 2.604 -0.556 1.00 0.00 C ATOM 663 OH TYR A 127 5.143 2.864 -1.731 1.00 0.00 O ATOM 0 H TYR A 127 6.170 3.342 4.291 1.00 0.00 H new ATOM 0 HA TYR A 127 6.098 0.571 3.787 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.241 2.653 3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.436 0.982 3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.757 0.017 1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.150 4.195 2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.669 0.496 -0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.034 4.666 -0.057 1.00 0.00 H new ATOM 0 HH TYR A 127 5.243 3.812 -1.957 1.00 0.00 H new ATOM 673 N THR A 128 7.057 -0.418 5.688 1.00 0.00 N ATOM 674 CA THR A 128 7.514 -1.120 6.806 1.00 0.00 C ATOM 675 C THR A 128 8.967 -1.529 6.623 1.00 0.00 C ATOM 676 O THR A 128 9.357 -2.086 5.588 1.00 0.00 O ATOM 677 CB THR A 128 6.603 -2.329 7.007 1.00 0.00 C ATOM 678 OG1 THR A 128 5.252 -1.852 7.227 1.00 0.00 O ATOM 679 CG2 THR A 128 7.058 -3.171 8.173 1.00 0.00 C ATOM 0 H THR A 128 6.385 -0.942 5.127 1.00 0.00 H new ATOM 0 HA THR A 128 7.478 -0.491 7.695 1.00 0.00 H new ATOM 0 HB THR A 128 6.641 -2.959 6.119 1.00 0.00 H new ATOM 0 HG1 THR A 128 4.617 -2.578 7.056 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.389 -4.023 8.289 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.072 -3.528 7.991 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.043 -2.571 9.083 1.00 0.00 H new ATOM 687 N GLY A 129 9.753 -1.226 7.619 1.00 0.00 N ATOM 688 CA GLY A 129 11.142 -1.511 7.580 1.00 0.00 C ATOM 689 C GLY A 129 11.936 -0.301 7.179 1.00 0.00 C ATOM 690 O GLY A 129 13.155 -0.282 7.333 1.00 0.00 O ATOM 0 H GLY A 129 9.438 -0.774 8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.472 -1.857 8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.330 -2.322 6.876 1.00 0.00 H new ATOM 694 N TYR A 130 11.260 0.723 6.659 1.00 0.00 N ATOM 695 CA TYR A 130 11.953 1.906 6.220 1.00 0.00 C ATOM 696 C TYR A 130 11.516 3.133 6.985 1.00 0.00 C ATOM 697 O TYR A 130 12.347 3.833 7.572 1.00 0.00 O ATOM 698 CB TYR A 130 11.756 2.113 4.738 1.00 0.00 C ATOM 699 CG TYR A 130 12.280 0.980 3.898 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.633 0.863 3.641 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.422 0.032 3.354 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.124 -0.162 2.871 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.907 -0.997 2.578 1.00 0.00 C ATOM 704 CZ TYR A 130 13.261 -1.086 2.339 1.00 0.00 C ATOM 705 OH TYR A 130 13.757 -2.101 1.566 1.00 0.00 O ATOM 0 H TYR A 130 10.248 0.747 6.538 1.00 0.00 H new ATOM 0 HA TYR A 130 13.014 1.756 6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.693 2.243 4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.253 3.036 4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.316 1.591 4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.361 0.103 3.542 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.185 -0.241 2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.231 -1.729 2.160 1.00 0.00 H new ATOM 0 HH TYR A 130 13.245 -2.158 0.732 1.00 0.00 H new ATOM 715 N GLY A 131 10.223 3.386 7.007 1.00 0.00 N ATOM 716 CA GLY A 131 9.724 4.544 7.711 1.00 0.00 C ATOM 717 C GLY A 131 9.247 5.667 6.796 1.00 0.00 C ATOM 718 O GLY A 131 9.124 6.814 7.233 1.00 0.00 O ATOM 0 H GLY A 131 9.511 2.814 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.899 4.238 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.510 4.928 8.361 1.00 0.00 H new ATOM 722 N ASN A 132 8.998 5.373 5.531 1.00 0.00 N ATOM 723 CA ASN A 132 8.422 6.410 4.649 1.00 0.00 C ATOM 724 C ASN A 132 6.967 6.161 4.485 1.00 0.00 C ATOM 725 O ASN A 132 6.482 5.089 4.831 1.00 0.00 O ATOM 726 CB ASN A 132 9.027 6.497 3.237 1.00 0.00 C ATOM 727 CG ASN A 132 10.461 6.954 3.160 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.970 7.639 4.047 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.101 6.627 2.069 1.00 0.00 N ATOM 0 H ASN A 132 9.172 4.469 5.092 1.00 0.00 H new ATOM 0 HA ASN A 132 8.650 7.351 5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.954 5.514 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.417 7.178 2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.061 6.941 1.927 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.641 6.057 1.359 1.00 0.00 H new ATOM 736 N ARG A 133 6.277 7.109 3.928 1.00 0.00 N ATOM 737 CA ARG A 133 4.868 6.982 3.699 1.00 0.00 C ATOM 738 C ARG A 133 4.523 7.520 2.328 1.00 0.00 C ATOM 739 O ARG A 133 5.100 8.520 1.880 1.00 0.00 O ATOM 740 CB ARG A 133 4.049 7.617 4.850 1.00 0.00 C ATOM 741 CG ARG A 133 4.241 9.104 5.070 1.00 0.00 C ATOM 742 CD ARG A 133 3.311 9.944 4.222 1.00 0.00 C ATOM 743 NE ARG A 133 3.501 11.374 4.482 1.00 0.00 N ATOM 744 CZ ARG A 133 2.786 12.368 3.952 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.846 12.115 3.054 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.047 13.622 4.301 1.00 0.00 N ATOM 0 H ARG A 133 6.675 7.995 3.618 1.00 0.00 H new ATOM 0 HA ARG A 133 4.589 5.928 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 133 2.992 7.433 4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.301 7.099 5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.076 9.336 6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.273 9.371 4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.490 9.737 3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.277 9.668 4.430 1.00 0.00 H new ATOM 0 HE ARG A 133 4.248 11.633 5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.664 11.155 2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.304 12.881 2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.790 13.821 4.971 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.504 14.387 3.900 1.00 0.00 H new ATOM 760 N GLU A 134 3.641 6.839 1.666 1.00 0.00 N ATOM 761 CA GLU A 134 3.261 7.131 0.322 1.00 0.00 C ATOM 762 C GLU A 134 1.784 6.804 0.130 1.00 0.00 C ATOM 763 O GLU A 134 1.255 5.928 0.816 1.00 0.00 O ATOM 764 CB GLU A 134 4.172 6.327 -0.610 1.00 0.00 C ATOM 765 CG GLU A 134 3.779 6.318 -2.051 1.00 0.00 C ATOM 766 CD GLU A 134 4.966 6.137 -2.974 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.437 5.020 -3.191 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.435 7.140 -3.521 1.00 0.00 O ATOM 0 H GLU A 134 3.150 6.037 2.061 1.00 0.00 H new ATOM 0 HA GLU A 134 3.381 8.189 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.184 6.725 -0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.206 5.297 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.062 5.515 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.274 7.253 -2.293 1.00 0.00 H new ATOM 775 N GLU A 135 1.126 7.496 -0.779 1.00 0.00 N ATOM 776 CA GLU A 135 -0.286 7.311 -1.003 1.00 0.00 C ATOM 777 C GLU A 135 -0.494 6.467 -2.235 1.00 0.00 C ATOM 778 O GLU A 135 -0.011 6.790 -3.331 1.00 0.00 O ATOM 779 CB GLU A 135 -1.003 8.657 -1.155 1.00 0.00 C ATOM 780 CG GLU A 135 -2.497 8.525 -1.404 1.00 0.00 C ATOM 781 CD GLU A 135 -3.193 9.849 -1.547 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.288 10.374 -2.686 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.677 10.386 -0.533 1.00 0.00 O ATOM 0 H GLU A 135 1.557 8.199 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.711 6.803 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.844 9.248 -0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.553 9.208 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.657 7.938 -2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.948 7.972 -0.581 1.00 0.00 H new ATOM 790 N GLN A 136 -1.193 5.389 -2.041 1.00 0.00 N ATOM 791 CA GLN A 136 -1.441 4.399 -3.054 1.00 0.00 C ATOM 792 C GLN A 136 -2.929 4.131 -3.092 1.00 0.00 C ATOM 793 O GLN A 136 -3.632 4.466 -2.156 1.00 0.00 O ATOM 794 CB GLN A 136 -0.714 3.121 -2.663 1.00 0.00 C ATOM 795 CG GLN A 136 0.756 3.344 -2.328 1.00 0.00 C ATOM 796 CD GLN A 136 1.640 3.522 -3.549 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.199 3.978 -4.618 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.886 3.240 -3.385 1.00 0.00 N ATOM 0 H GLN A 136 -1.622 5.164 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.094 4.741 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.213 2.676 -1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.789 2.404 -3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.845 4.226 -1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.120 2.496 -1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.211 2.867 -2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.547 3.390 -4.147 1.00 0.00 H new ATOM 807 N ASN A 137 -3.397 3.530 -4.137 1.00 0.00 N ATOM 808 CA ASN A 137 -4.821 3.225 -4.269 1.00 0.00 C ATOM 809 C ASN A 137 -5.105 1.928 -3.602 1.00 0.00 C ATOM 810 O ASN A 137 -4.282 1.026 -3.641 1.00 0.00 O ATOM 811 CB ASN A 137 -5.226 3.072 -5.731 1.00 0.00 C ATOM 812 CG ASN A 137 -4.959 4.275 -6.579 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.827 5.133 -6.771 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.753 4.373 -7.058 1.00 0.00 N ATOM 0 H ASN A 137 -2.826 3.231 -4.927 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.377 4.047 -3.818 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.695 2.220 -6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.290 2.840 -5.778 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.491 5.184 -7.618 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.070 3.639 -6.873 1.00 0.00 H new ATOM 821 N LEU A 138 -6.273 1.823 -3.027 1.00 0.00 N ATOM 822 CA LEU A 138 -6.744 0.579 -2.397 1.00 0.00 C ATOM 823 C LEU A 138 -6.797 -0.538 -3.443 1.00 0.00 C ATOM 824 O LEU A 138 -6.484 -1.689 -3.172 1.00 0.00 O ATOM 825 CB LEU A 138 -8.136 0.807 -1.817 1.00 0.00 C ATOM 826 CG LEU A 138 -8.239 1.885 -0.746 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.686 2.230 -0.509 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.594 1.419 0.547 1.00 0.00 C ATOM 0 H LEU A 138 -6.942 2.591 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.060 0.290 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.811 1.066 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.492 -0.133 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.710 2.773 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.755 3.002 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.129 2.598 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.223 1.341 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.678 2.204 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.098 0.520 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.541 1.198 0.370 1.00 0.00 H new ATOM 840 N SER A 139 -7.143 -0.151 -4.641 1.00 0.00 N ATOM 841 CA SER A 139 -7.231 -1.027 -5.776 1.00 0.00 C ATOM 842 C SER A 139 -5.834 -1.414 -6.307 1.00 0.00 C ATOM 843 O SER A 139 -5.670 -2.419 -7.011 1.00 0.00 O ATOM 844 CB SER A 139 -8.005 -0.262 -6.825 1.00 0.00 C ATOM 845 OG SER A 139 -7.639 1.119 -6.760 1.00 0.00 O ATOM 0 H SER A 139 -7.379 0.817 -4.860 1.00 0.00 H new ATOM 0 HA SER A 139 -7.722 -1.963 -5.508 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.791 -0.662 -7.816 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.076 -0.376 -6.660 1.00 0.00 H new ATOM 0 HG SER A 139 -8.136 1.621 -7.439 1.00 0.00 H new ATOM 851 N ASP A 140 -4.831 -0.642 -5.923 1.00 0.00 N ATOM 852 CA ASP A 140 -3.474 -0.810 -6.450 1.00 0.00 C ATOM 853 C ASP A 140 -2.575 -1.460 -5.408 1.00 0.00 C ATOM 854 O ASP A 140 -1.400 -1.773 -5.663 1.00 0.00 O ATOM 855 CB ASP A 140 -2.899 0.547 -6.870 1.00 0.00 C ATOM 856 CG ASP A 140 -1.578 0.439 -7.593 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.534 -0.111 -8.711 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.555 0.899 -7.053 1.00 0.00 O ATOM 0 H ASP A 140 -4.926 0.114 -5.244 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.519 -1.460 -7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.617 1.054 -7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.770 1.169 -5.984 1.00 0.00 H new ATOM 863 N LEU A 141 -3.119 -1.656 -4.234 1.00 0.00 N ATOM 864 CA LEU A 141 -2.394 -2.303 -3.165 1.00 0.00 C ATOM 865 C LEU A 141 -2.153 -3.756 -3.482 1.00 0.00 C ATOM 866 O LEU A 141 -2.805 -4.337 -4.354 1.00 0.00 O ATOM 867 CB LEU A 141 -3.101 -2.164 -1.823 1.00 0.00 C ATOM 868 CG LEU A 141 -3.218 -0.755 -1.257 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.811 -0.794 0.127 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.866 -0.066 -1.243 1.00 0.00 C ATOM 0 H LEU A 141 -4.069 -1.375 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.433 -1.796 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.105 -2.576 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.574 -2.781 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.883 -0.179 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.888 0.220 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.803 -1.243 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.171 -1.387 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.974 0.939 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.173 -0.637 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.478 -0.005 -2.260 1.00 0.00 H new ATOM 882 N LEU A 142 -1.210 -4.322 -2.811 1.00 0.00 N ATOM 883 CA LEU A 142 -0.813 -5.680 -3.042 1.00 0.00 C ATOM 884 C LEU A 142 -0.722 -6.399 -1.710 1.00 0.00 C ATOM 885 O LEU A 142 -0.695 -5.754 -0.658 1.00 0.00 O ATOM 886 CB LEU A 142 0.557 -5.666 -3.727 1.00 0.00 C ATOM 887 CG LEU A 142 0.641 -4.882 -5.038 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.082 -4.635 -5.415 1.00 0.00 C ATOM 889 CD2 LEU A 142 -0.090 -5.615 -6.160 1.00 0.00 C ATOM 0 H LEU A 142 -0.682 -3.854 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.536 -6.195 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.286 -5.251 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.854 -6.696 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 142 0.152 -3.919 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.123 -4.076 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.571 -4.061 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.594 -5.589 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -0.016 -5.037 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.362 -6.595 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.139 -5.737 -5.892 1.00 0.00 H new ATOM 901 N SER A 143 -0.681 -7.702 -1.752 1.00 0.00 N ATOM 902 CA SER A 143 -0.555 -8.524 -0.567 1.00 0.00 C ATOM 903 C SER A 143 0.837 -8.322 0.076 1.00 0.00 C ATOM 904 O SER A 143 1.854 -8.263 -0.633 1.00 0.00 O ATOM 905 CB SER A 143 -0.805 -9.990 -0.935 1.00 0.00 C ATOM 906 OG SER A 143 -2.095 -10.137 -1.544 1.00 0.00 O ATOM 0 H SER A 143 -0.734 -8.236 -2.619 1.00 0.00 H new ATOM 0 HA SER A 143 -1.301 -8.227 0.171 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.031 -10.338 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.744 -10.612 -0.042 1.00 0.00 H new ATOM 0 HG SER A 143 -2.242 -11.078 -1.776 1.00 0.00 H new ATOM 912 N PRO A 144 0.898 -8.215 1.419 1.00 0.00 N ATOM 913 CA PRO A 144 2.122 -7.847 2.144 1.00 0.00 C ATOM 914 C PRO A 144 3.247 -8.855 2.058 1.00 0.00 C ATOM 915 O PRO A 144 3.030 -10.069 1.966 1.00 0.00 O ATOM 916 CB PRO A 144 1.675 -7.722 3.590 1.00 0.00 C ATOM 917 CG PRO A 144 0.463 -8.579 3.684 1.00 0.00 C ATOM 918 CD PRO A 144 -0.219 -8.481 2.349 1.00 0.00 C ATOM 0 HA PRO A 144 2.539 -6.940 1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 144 2.453 -8.059 4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.450 -6.687 3.847 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.732 -9.611 3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.195 -8.238 4.484 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.743 -9.403 2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -0.957 -7.679 2.332 1.00 0.00 H new ATOM 926 N ILE A 145 4.439 -8.339 2.072 1.00 0.00 N ATOM 927 CA ILE A 145 5.628 -9.138 2.106 1.00 0.00 C ATOM 928 C ILE A 145 6.113 -9.148 3.541 1.00 0.00 C ATOM 929 O ILE A 145 6.015 -8.136 4.239 1.00 0.00 O ATOM 930 CB ILE A 145 6.748 -8.529 1.236 1.00 0.00 C ATOM 931 CG1 ILE A 145 6.223 -8.182 -0.164 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.934 -9.494 1.157 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.253 -7.561 -1.090 1.00 0.00 C ATOM 0 H ILE A 145 4.616 -7.335 2.060 1.00 0.00 H new ATOM 0 HA ILE A 145 5.400 -10.134 1.727 1.00 0.00 H new ATOM 0 HB ILE A 145 7.088 -7.603 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.837 -9.090 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.384 -7.494 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.719 -9.056 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 145 8.320 -9.679 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.608 -10.435 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.794 -7.349 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.623 -6.633 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.083 -8.254 -1.227 1.00 0.00 H new ATOM 945 N CYS A 146 6.603 -10.253 3.972 1.00 0.00 N ATOM 946 CA CYS A 146 7.118 -10.387 5.298 1.00 0.00 C ATOM 947 C CYS A 146 8.415 -11.150 5.226 1.00 0.00 C ATOM 948 O CYS A 146 8.447 -12.310 4.796 1.00 0.00 O ATOM 949 CB CYS A 146 6.118 -11.123 6.190 1.00 0.00 C ATOM 950 SG CYS A 146 6.569 -11.161 7.943 1.00 0.00 S ATOM 0 H CYS A 146 6.661 -11.104 3.412 1.00 0.00 H new ATOM 0 HA CYS A 146 7.287 -9.401 5.731 1.00 0.00 H new ATOM 0 HB2 CYS A 146 5.142 -10.649 6.088 1.00 0.00 H new ATOM 0 HB3 CYS A 146 6.014 -12.147 5.831 1.00 0.00 H new ATOM 0 HG CYS A 146 5.658 -11.804 8.612 1.00 0.00 H new ATOM 956 N GLU A 147 9.474 -10.500 5.573 1.00 0.00 N ATOM 957 CA GLU A 147 10.763 -11.114 5.572 1.00 0.00 C ATOM 958 C GLU A 147 11.090 -11.506 6.991 1.00 0.00 C ATOM 959 O GLU A 147 11.067 -12.719 7.311 1.00 0.00 O ATOM 960 CB GLU A 147 11.810 -10.160 5.022 1.00 0.00 C ATOM 961 CG GLU A 147 11.496 -9.641 3.631 1.00 0.00 C ATOM 962 CD GLU A 147 12.511 -8.646 3.156 1.00 0.00 C ATOM 963 OE1 GLU A 147 12.462 -7.482 3.597 1.00 0.00 O ATOM 964 OE2 GLU A 147 13.365 -8.998 2.315 1.00 0.00 O ATOM 965 OXT GLU A 147 11.276 -10.608 7.823 1.00 0.00 O ATOM 0 H GLU A 147 9.472 -9.523 5.867 1.00 0.00 H new ATOM 0 HA GLU A 147 10.760 -11.996 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.909 -9.314 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 147 12.775 -10.667 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 147 11.456 -10.478 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 147 10.509 -9.179 3.632 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.470 2.716 -3.323 1.00 0.00 N HETATM 974 CA 2MR A1148 16.331 3.116 -1.924 1.00 0.00 C HETATM 975 CB 2MR A1148 15.939 1.910 -1.077 1.00 0.00 C HETATM 976 CG 2MR A1148 15.804 2.160 0.421 1.00 0.00 C HETATM 977 CD 2MR A1148 14.482 2.807 0.743 1.00 0.00 C HETATM 978 NE 2MR A1148 13.375 1.962 0.275 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.104 2.130 0.568 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.761 3.174 1.379 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.461 3.623 1.882 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.228 1.283 0.003 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.785 1.197 0.114 1.00 0.00 C HETATM 984 C 2MR A1148 17.632 3.694 -1.449 1.00 0.00 C HETATM 985 O 2MR A1148 17.660 4.855 -1.044 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.643 2.988 -1.489 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.510 1.026 1.155 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.337 2.129 -0.231 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.422 0.371 -0.498 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.813 3.873 1.042 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.003 2.827 2.469 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.598 4.504 2.509 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.649 0.582 -0.607 1.00 0.00 H new HETATM 0 HG3 2MR A1148 15.892 1.217 0.960 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.618 2.799 0.762 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.613 1.176 -0.330 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.399 2.965 1.818 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.425 3.788 0.271 1.00 0.00 H new HETATM 0 HB3 2MR A1148 14.989 1.524 -1.448 1.00 0.00 H new HETATM 0 HB2 2MR A1148 16.682 1.127 -1.229 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.549 3.870 -1.830 1.00 0.00 H new HETATM 0 H2 2MR A1148 16.730 3.406 -4.027 1.00 0.00 H new HETATM 0 H 2MR A1148 16.307 1.746 -3.595 1.00 0.00 H new