USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 590 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 1 MET CE :methyl -121:sc=-0.00482 (180deg=-0.0619) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.679 (180deg=-1.12) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= -1.99! (180deg=-2.02!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 19 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.91) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0118 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.00059) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.357 F(o=-4.9!,f=-0.36) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0053 X(o=-0.0053,f=-0.098) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.157) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.138 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 163:sc= 0.241 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.713 26.508 -0.976 1.00 0.00 N ATOM 2 CA MET A 1 -4.653 26.694 0.493 1.00 0.00 C ATOM 3 C MET A 1 -4.093 25.442 1.157 1.00 0.00 C ATOM 4 O MET A 1 -3.550 24.578 0.500 1.00 0.00 O ATOM 5 CB MET A 1 -6.063 26.955 1.047 1.00 0.00 C ATOM 6 CG MET A 1 -7.095 26.301 0.125 1.00 0.00 C ATOM 7 SD MET A 1 -8.840 26.486 0.571 1.00 0.00 S ATOM 8 CE MET A 1 -9.005 28.226 0.106 1.00 0.00 C ATOM 0 H1 MET A 1 -5.204 27.316 -1.409 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.748 26.445 -1.358 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.230 25.632 -1.194 1.00 0.00 H new ATOM 0 HA MET A 1 -4.007 27.545 0.707 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.151 26.551 2.056 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.247 28.027 1.116 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.958 26.707 -0.877 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.872 25.236 0.070 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.312 28.807 0.975 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.047 28.598 -0.259 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.755 28.323 -0.679 1.00 0.00 H new ATOM 17 N SER A 2 -4.238 25.366 2.453 1.00 0.00 N ATOM 18 CA SER A 2 -3.718 24.176 3.176 1.00 0.00 C ATOM 19 C SER A 2 -4.568 22.944 2.883 1.00 0.00 C ATOM 20 O SER A 2 -5.343 22.929 1.948 1.00 0.00 O ATOM 21 CB SER A 2 -3.770 24.466 4.685 1.00 0.00 C ATOM 22 OG SER A 2 -2.796 25.483 4.876 1.00 0.00 O ATOM 0 H SER A 2 -4.690 26.071 3.035 1.00 0.00 H new ATOM 0 HA SER A 2 -2.697 23.979 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.761 24.800 4.993 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.537 23.576 5.270 1.00 0.00 H new ATOM 0 HG SER A 2 -2.764 25.732 5.823 1.00 0.00 H new ATOM 28 N LYS A 3 -4.403 21.930 3.691 1.00 0.00 N ATOM 29 CA LYS A 3 -5.191 20.690 3.477 1.00 0.00 C ATOM 30 C LYS A 3 -5.001 20.167 2.057 1.00 0.00 C ATOM 31 O LYS A 3 -5.914 20.192 1.255 1.00 0.00 O ATOM 32 CB LYS A 3 -6.679 21.017 3.694 1.00 0.00 C ATOM 33 CG LYS A 3 -7.449 19.715 3.927 1.00 0.00 C ATOM 34 CD LYS A 3 -7.254 19.269 5.378 1.00 0.00 C ATOM 35 CE LYS A 3 -6.881 17.785 5.405 1.00 0.00 C ATOM 36 NZ LYS A 3 -5.690 17.530 4.546 1.00 0.00 N ATOM 0 H LYS A 3 -3.761 21.910 4.483 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.853 19.926 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.797 21.682 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.079 21.541 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.509 19.863 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.095 18.942 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.470 19.861 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.168 19.437 5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.671 17.475 6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.723 17.186 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.368 16.550 4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.944 17.677 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.926 18.184 4.809 1.00 0.00 H new ATOM 50 N GLU A 4 -3.814 19.701 1.772 1.00 0.00 N ATOM 51 CA GLU A 4 -3.544 19.172 0.412 1.00 0.00 C ATOM 52 C GLU A 4 -2.160 18.536 0.344 1.00 0.00 C ATOM 53 O GLU A 4 -1.183 19.128 0.757 1.00 0.00 O ATOM 54 CB GLU A 4 -3.595 20.346 -0.582 1.00 0.00 C ATOM 55 CG GLU A 4 -3.166 19.854 -1.964 1.00 0.00 C ATOM 56 CD GLU A 4 -4.041 18.665 -2.373 1.00 0.00 C ATOM 57 OE1 GLU A 4 -5.233 18.894 -2.516 1.00 0.00 O ATOM 58 OE2 GLU A 4 -3.470 17.598 -2.519 1.00 0.00 O ATOM 0 H GLU A 4 -3.027 19.666 2.420 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.290 18.416 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.604 20.757 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.938 21.149 -0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.260 20.658 -2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.117 19.559 -1.948 1.00 0.00 H new ATOM 65 N ASP A 5 -2.100 17.337 -0.176 1.00 0.00 N ATOM 66 CA ASP A 5 -0.786 16.652 -0.275 1.00 0.00 C ATOM 67 C ASP A 5 0.149 17.418 -1.202 1.00 0.00 C ATOM 68 O ASP A 5 -0.209 17.746 -2.317 1.00 0.00 O ATOM 69 CB ASP A 5 -1.009 15.244 -0.850 1.00 0.00 C ATOM 70 CG ASP A 5 -2.102 15.299 -1.918 1.00 0.00 C ATOM 71 OD1 ASP A 5 -1.733 15.525 -3.059 1.00 0.00 O ATOM 72 OD2 ASP A 5 -3.245 15.111 -1.535 1.00 0.00 O ATOM 0 H ASP A 5 -2.898 16.811 -0.532 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.336 16.600 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.083 14.864 -1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.296 14.556 -0.055 1.00 0.00 H new ATOM 77 N SER A 6 1.334 17.690 -0.727 1.00 0.00 N ATOM 78 CA SER A 6 2.302 18.433 -1.571 1.00 0.00 C ATOM 79 C SER A 6 3.737 18.034 -1.242 1.00 0.00 C ATOM 80 O SER A 6 3.966 17.140 -0.449 1.00 0.00 O ATOM 81 CB SER A 6 2.130 19.934 -1.285 1.00 0.00 C ATOM 82 OG SER A 6 2.901 20.154 -0.114 1.00 0.00 O ATOM 0 H SER A 6 1.668 17.431 0.201 1.00 0.00 H new ATOM 0 HA SER A 6 2.111 18.202 -2.619 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.486 20.542 -2.117 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.083 20.192 -1.127 1.00 0.00 H new ATOM 0 HG SER A 6 2.847 21.099 0.140 1.00 0.00 H new ATOM 88 N PHE A 7 4.678 18.708 -1.867 1.00 0.00 N ATOM 89 CA PHE A 7 6.117 18.395 -1.615 1.00 0.00 C ATOM 90 C PHE A 7 6.878 19.654 -1.217 1.00 0.00 C ATOM 91 O PHE A 7 6.833 20.654 -1.906 1.00 0.00 O ATOM 92 CB PHE A 7 6.728 17.840 -2.913 1.00 0.00 C ATOM 93 CG PHE A 7 6.035 16.526 -3.277 1.00 0.00 C ATOM 94 CD1 PHE A 7 4.719 16.522 -3.708 1.00 0.00 C ATOM 95 CD2 PHE A 7 6.713 15.324 -3.179 1.00 0.00 C ATOM 96 CE1 PHE A 7 4.095 15.336 -4.034 1.00 0.00 C ATOM 97 CE2 PHE A 7 6.085 14.139 -3.507 1.00 0.00 C ATOM 98 CZ PHE A 7 4.778 14.146 -3.933 1.00 0.00 C ATOM 0 H PHE A 7 4.508 19.458 -2.537 1.00 0.00 H new ATOM 0 HA PHE A 7 6.189 17.668 -0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.611 18.562 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.798 17.677 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.178 17.453 -3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.740 15.313 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.068 15.341 -4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.621 13.205 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.288 13.218 -4.188 1.00 0.00 H new ATOM 108 N GLU A 8 7.567 19.584 -0.109 1.00 0.00 N ATOM 109 CA GLU A 8 8.334 20.769 0.347 1.00 0.00 C ATOM 110 C GLU A 8 9.760 20.740 -0.192 1.00 0.00 C ATOM 111 O GLU A 8 10.392 19.702 -0.232 1.00 0.00 O ATOM 112 CB GLU A 8 8.385 20.751 1.884 1.00 0.00 C ATOM 113 CG GLU A 8 8.629 19.319 2.361 1.00 0.00 C ATOM 114 CD GLU A 8 8.813 19.317 3.880 1.00 0.00 C ATOM 115 OE1 GLU A 8 8.800 20.407 4.429 1.00 0.00 O ATOM 116 OE2 GLU A 8 8.955 18.226 4.408 1.00 0.00 O ATOM 0 H GLU A 8 7.629 18.763 0.493 1.00 0.00 H new ATOM 0 HA GLU A 8 7.844 21.670 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.179 21.407 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.449 21.130 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.788 18.683 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.514 18.907 1.875 1.00 0.00 H new ATOM 123 N MET A 9 10.240 21.884 -0.599 1.00 0.00 N ATOM 124 CA MET A 9 11.620 21.951 -1.140 1.00 0.00 C ATOM 125 C MET A 9 12.142 23.382 -1.104 1.00 0.00 C ATOM 126 O MET A 9 11.528 24.283 -1.638 1.00 0.00 O ATOM 127 CB MET A 9 11.596 21.469 -2.597 1.00 0.00 C ATOM 128 CG MET A 9 12.820 20.585 -2.850 1.00 0.00 C ATOM 129 SD MET A 9 12.895 19.695 -4.424 1.00 0.00 S ATOM 130 CE MET A 9 14.216 18.545 -3.970 1.00 0.00 C ATOM 0 H MET A 9 9.735 22.770 -0.579 1.00 0.00 H new ATOM 0 HA MET A 9 12.273 21.323 -0.533 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.681 20.910 -2.794 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.601 22.322 -3.276 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.709 21.211 -2.775 1.00 0.00 H new ATOM 0 HG3 MET A 9 12.878 19.852 -2.046 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.430 17.886 -4.812 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.114 19.106 -3.711 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.901 17.949 -3.114 1.00 0.00 H new ATOM 140 N GLU A 10 13.272 23.565 -0.477 1.00 0.00 N ATOM 141 CA GLU A 10 13.846 24.931 -0.398 1.00 0.00 C ATOM 142 C GLU A 10 14.522 25.328 -1.704 1.00 0.00 C ATOM 143 O GLU A 10 15.122 24.509 -2.371 1.00 0.00 O ATOM 144 CB GLU A 10 14.896 24.952 0.724 1.00 0.00 C ATOM 145 CG GLU A 10 14.210 24.673 2.062 1.00 0.00 C ATOM 146 CD GLU A 10 15.274 24.405 3.130 1.00 0.00 C ATOM 147 OE1 GLU A 10 15.796 25.387 3.633 1.00 0.00 O ATOM 148 OE2 GLU A 10 15.504 23.233 3.382 1.00 0.00 O ATOM 0 H GLU A 10 13.816 22.833 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 10 13.038 25.636 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.664 24.203 0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.395 25.921 0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.593 25.524 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.545 23.814 1.971 1.00 0.00 H new ATOM 155 N GLY A 11 14.408 26.584 -2.043 1.00 0.00 N ATOM 156 CA GLY A 11 15.038 27.067 -3.306 1.00 0.00 C ATOM 157 C GLY A 11 15.318 28.566 -3.200 1.00 0.00 C ATOM 158 O GLY A 11 14.762 29.239 -2.355 1.00 0.00 O ATOM 0 H GLY A 11 13.910 27.292 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.966 26.526 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.379 26.869 -4.152 1.00 0.00 H new ATOM 162 N THR A 12 16.172 29.061 -4.058 1.00 0.00 N ATOM 163 CA THR A 12 16.492 30.513 -4.014 1.00 0.00 C ATOM 164 C THR A 12 15.647 31.240 -5.034 1.00 0.00 C ATOM 165 O THR A 12 15.281 30.669 -6.027 1.00 0.00 O ATOM 166 CB THR A 12 17.974 30.699 -4.357 1.00 0.00 C ATOM 167 OG1 THR A 12 18.681 30.074 -3.306 1.00 0.00 O ATOM 168 CG2 THR A 12 18.376 32.178 -4.267 1.00 0.00 C ATOM 0 H THR A 12 16.656 28.526 -4.779 1.00 0.00 H new ATOM 0 HA THR A 12 16.286 30.913 -3.021 1.00 0.00 H new ATOM 0 HB THR A 12 18.173 30.310 -5.356 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.644 30.156 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.432 32.284 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.779 32.761 -4.968 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.203 32.541 -3.254 1.00 0.00 H new ATOM 176 N VAL A 13 15.380 32.500 -4.791 1.00 0.00 N ATOM 177 CA VAL A 13 14.521 33.276 -5.797 1.00 0.00 C ATOM 178 C VAL A 13 15.262 34.256 -6.694 1.00 0.00 C ATOM 179 O VAL A 13 15.696 35.290 -6.250 1.00 0.00 O ATOM 180 CB VAL A 13 13.526 34.113 -5.009 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.667 34.913 -5.986 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.628 33.172 -4.189 1.00 0.00 C ATOM 0 H VAL A 13 15.697 33.027 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 13 14.086 32.514 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 13 14.052 34.796 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.950 35.517 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.305 35.565 -6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.132 34.229 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.909 33.760 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.095 32.500 -4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.243 32.587 -3.505 1.00 0.00 H new ATOM 192 N VAL A 14 15.336 33.948 -7.982 1.00 0.00 N ATOM 193 CA VAL A 14 16.034 34.873 -8.873 1.00 0.00 C ATOM 194 C VAL A 14 15.430 34.819 -10.284 1.00 0.00 C ATOM 195 O VAL A 14 15.895 34.138 -11.175 1.00 0.00 O ATOM 196 CB VAL A 14 17.504 34.426 -8.937 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.414 35.655 -8.944 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.829 33.564 -7.716 1.00 0.00 C ATOM 0 H VAL A 14 14.946 33.113 -8.419 1.00 0.00 H new ATOM 0 HA VAL A 14 15.943 35.893 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 14 17.666 33.848 -9.847 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.455 35.336 -8.989 1.00 0.00 H new ATOM 0 HG12 VAL A 14 18.185 36.272 -9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.251 36.234 -8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.871 33.247 -7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.665 34.144 -6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 14 17.183 32.686 -7.708 1.00 0.00 H new ATOM 208 N ASP A 15 14.385 35.544 -10.411 1.00 0.00 N ATOM 209 CA ASP A 15 13.653 35.647 -11.688 1.00 0.00 C ATOM 210 C ASP A 15 12.333 36.361 -11.417 1.00 0.00 C ATOM 211 O ASP A 15 11.731 36.138 -10.382 1.00 0.00 O ATOM 212 CB ASP A 15 13.400 34.256 -12.270 1.00 0.00 C ATOM 213 CG ASP A 15 14.446 33.939 -13.354 1.00 0.00 C ATOM 214 OD1 ASP A 15 15.387 34.710 -13.456 1.00 0.00 O ATOM 215 OD2 ASP A 15 14.238 32.940 -14.021 1.00 0.00 O ATOM 0 H ASP A 15 13.984 36.097 -9.653 1.00 0.00 H new ATOM 0 HA ASP A 15 14.240 36.208 -12.415 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.447 33.508 -11.479 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.398 34.208 -12.695 1.00 0.00 H new ATOM 220 N THR A 16 11.893 37.185 -12.324 1.00 0.00 N ATOM 221 CA THR A 16 10.594 37.908 -12.092 1.00 0.00 C ATOM 222 C THR A 16 9.495 37.404 -13.020 1.00 0.00 C ATOM 223 O THR A 16 9.747 37.072 -14.163 1.00 0.00 O ATOM 224 CB THR A 16 10.817 39.400 -12.363 1.00 0.00 C ATOM 225 OG1 THR A 16 9.524 39.947 -12.520 1.00 0.00 O ATOM 226 CG2 THR A 16 11.496 39.617 -13.723 1.00 0.00 C ATOM 0 H THR A 16 12.361 37.393 -13.206 1.00 0.00 H new ATOM 0 HA THR A 16 10.279 37.730 -11.064 1.00 0.00 H new ATOM 0 HB THR A 16 11.419 39.833 -11.564 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.595 40.908 -12.696 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.643 40.684 -13.890 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.462 39.112 -13.732 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.866 39.209 -14.513 1.00 0.00 H new ATOM 234 N LEU A 17 8.287 37.361 -12.493 1.00 0.00 N ATOM 235 CA LEU A 17 7.132 36.889 -13.303 1.00 0.00 C ATOM 236 C LEU A 17 5.981 37.918 -13.241 1.00 0.00 C ATOM 237 O LEU A 17 6.001 38.812 -12.408 1.00 0.00 O ATOM 238 CB LEU A 17 6.667 35.562 -12.708 1.00 0.00 C ATOM 239 CG LEU A 17 7.711 34.491 -13.027 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.206 33.161 -12.537 1.00 0.00 C ATOM 241 CD2 LEU A 17 7.928 34.403 -14.541 1.00 0.00 C ATOM 0 H LEU A 17 8.061 37.634 -11.537 1.00 0.00 H new ATOM 0 HA LEU A 17 7.424 36.767 -14.346 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.538 35.655 -11.630 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.698 35.281 -13.121 1.00 0.00 H new ATOM 0 HG LEU A 17 8.651 34.750 -12.540 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.942 32.388 -12.759 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.042 33.208 -11.460 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.267 32.922 -13.036 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.673 33.638 -14.758 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.988 34.143 -15.029 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.277 35.365 -14.915 1.00 0.00 H new ATOM 253 N PRO A 18 4.955 37.750 -14.083 1.00 0.00 N ATOM 254 CA PRO A 18 3.833 38.684 -14.085 1.00 0.00 C ATOM 255 C PRO A 18 2.677 38.162 -13.255 1.00 0.00 C ATOM 256 O PRO A 18 2.604 36.987 -12.952 1.00 0.00 O ATOM 257 CB PRO A 18 3.384 38.702 -15.555 1.00 0.00 C ATOM 258 CG PRO A 18 3.948 37.396 -16.207 1.00 0.00 C ATOM 259 CD PRO A 18 4.934 36.781 -15.193 1.00 0.00 C ATOM 0 HA PRO A 18 4.119 39.654 -13.679 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.297 38.734 -15.628 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.764 39.586 -16.066 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.142 36.698 -16.434 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.451 37.620 -17.148 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.601 35.798 -14.859 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.925 36.651 -15.628 1.00 0.00 H new ATOM 267 N ASN A 19 1.799 39.061 -12.895 1.00 0.00 N ATOM 268 CA ASN A 19 0.634 38.666 -12.079 1.00 0.00 C ATOM 269 C ASN A 19 1.083 38.486 -10.641 1.00 0.00 C ATOM 270 O ASN A 19 0.575 37.649 -9.924 1.00 0.00 O ATOM 271 CB ASN A 19 0.070 37.333 -12.607 1.00 0.00 C ATOM 272 CG ASN A 19 -1.457 37.346 -12.491 1.00 0.00 C ATOM 273 OD1 ASN A 19 -2.105 38.329 -12.793 1.00 0.00 O ATOM 274 ND2 ASN A 19 -2.068 36.276 -12.059 1.00 0.00 N ATOM 0 H ASN A 19 1.846 40.051 -13.136 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.137 39.434 -12.135 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.366 37.186 -13.646 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.482 36.500 -12.038 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.085 36.268 -11.976 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.529 35.449 -11.804 1.00 0.00 H new ATOM 281 N THR A 20 2.053 39.286 -10.254 1.00 0.00 N ATOM 282 CA THR A 20 2.579 39.205 -8.872 1.00 0.00 C ATOM 283 C THR A 20 3.194 37.847 -8.626 1.00 0.00 C ATOM 284 O THR A 20 2.764 37.128 -7.745 1.00 0.00 O ATOM 285 CB THR A 20 1.427 39.410 -7.879 1.00 0.00 C ATOM 286 OG1 THR A 20 0.658 40.469 -8.409 1.00 0.00 O ATOM 287 CG2 THR A 20 1.955 39.942 -6.538 1.00 0.00 C ATOM 0 H THR A 20 2.496 39.989 -10.845 1.00 0.00 H new ATOM 0 HA THR A 20 3.338 39.976 -8.738 1.00 0.00 H new ATOM 0 HB THR A 20 0.891 38.472 -7.733 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.102 40.650 -7.817 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.122 40.080 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.661 39.227 -6.116 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.457 40.896 -6.697 1.00 0.00 H new ATOM 295 N MET A 21 4.197 37.508 -9.414 1.00 0.00 N ATOM 296 CA MET A 21 4.844 36.184 -9.224 1.00 0.00 C ATOM 297 C MET A 21 6.358 36.274 -9.299 1.00 0.00 C ATOM 298 O MET A 21 6.918 37.308 -9.610 1.00 0.00 O ATOM 299 CB MET A 21 4.352 35.246 -10.335 1.00 0.00 C ATOM 300 CG MET A 21 2.993 34.675 -9.932 1.00 0.00 C ATOM 301 SD MET A 21 2.283 33.386 -10.983 1.00 0.00 S ATOM 302 CE MET A 21 1.214 32.641 -9.728 1.00 0.00 C ATOM 0 H MET A 21 4.581 38.085 -10.162 1.00 0.00 H new ATOM 0 HA MET A 21 4.579 35.811 -8.234 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.269 35.788 -11.277 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.068 34.440 -10.493 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.083 34.274 -8.922 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.282 35.500 -9.885 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.667 31.805 -10.165 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.823 32.282 -8.898 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.507 33.386 -9.364 1.00 0.00 H new ATOM 312 N PHE A 22 6.985 35.174 -9.004 1.00 0.00 N ATOM 313 CA PHE A 22 8.453 35.116 -9.037 1.00 0.00 C ATOM 314 C PHE A 22 8.868 33.676 -9.276 1.00 0.00 C ATOM 315 O PHE A 22 8.032 32.794 -9.257 1.00 0.00 O ATOM 316 CB PHE A 22 8.992 35.569 -7.667 1.00 0.00 C ATOM 317 CG PHE A 22 8.271 36.847 -7.226 1.00 0.00 C ATOM 318 CD1 PHE A 22 6.975 36.794 -6.736 1.00 0.00 C ATOM 319 CD2 PHE A 22 8.908 38.071 -7.308 1.00 0.00 C ATOM 320 CE1 PHE A 22 6.334 37.950 -6.335 1.00 0.00 C ATOM 321 CE2 PHE A 22 8.264 39.223 -6.906 1.00 0.00 C ATOM 322 CZ PHE A 22 6.979 39.161 -6.420 1.00 0.00 C ATOM 0 H PHE A 22 6.527 34.302 -8.738 1.00 0.00 H new ATOM 0 HA PHE A 22 8.845 35.759 -9.825 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.842 34.782 -6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.065 35.748 -7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.464 35.845 -6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.917 38.126 -7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.325 37.902 -5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.770 40.175 -6.973 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.477 40.064 -6.105 1.00 0.00 H new ATOM 332 N ARG A 23 10.135 33.455 -9.496 1.00 0.00 N ATOM 333 CA ARG A 23 10.600 32.057 -9.739 1.00 0.00 C ATOM 334 C ARG A 23 11.708 31.682 -8.790 1.00 0.00 C ATOM 335 O ARG A 23 12.570 32.495 -8.482 1.00 0.00 O ATOM 336 CB ARG A 23 11.112 31.981 -11.179 1.00 0.00 C ATOM 337 CG ARG A 23 12.299 31.002 -11.276 1.00 0.00 C ATOM 338 CD ARG A 23 12.559 30.673 -12.751 1.00 0.00 C ATOM 339 NE ARG A 23 14.018 30.430 -12.948 1.00 0.00 N ATOM 340 CZ ARG A 23 14.462 30.128 -14.142 1.00 0.00 C ATOM 341 NH1 ARG A 23 14.092 30.860 -15.156 1.00 0.00 N ATOM 342 NH2 ARG A 23 15.262 29.105 -14.278 1.00 0.00 N ATOM 0 H ARG A 23 10.861 34.171 -9.518 1.00 0.00 H new ATOM 0 HA ARG A 23 9.775 31.363 -9.578 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.309 31.656 -11.841 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.420 32.971 -11.515 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.188 31.444 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.081 30.090 -10.720 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.988 29.793 -13.046 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.226 31.496 -13.384 1.00 0.00 H new ATOM 0 HE ARG A 23 14.663 30.498 -12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.467 31.653 -15.011 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.428 30.640 -16.094 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.531 28.556 -13.462 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.618 28.855 -15.201 1.00 0.00 H new ATOM 356 N VAL A 24 11.675 30.442 -8.346 1.00 0.00 N ATOM 357 CA VAL A 24 12.707 29.978 -7.420 1.00 0.00 C ATOM 358 C VAL A 24 13.512 28.894 -8.072 1.00 0.00 C ATOM 359 O VAL A 24 12.969 28.042 -8.750 1.00 0.00 O ATOM 360 CB VAL A 24 12.032 29.460 -6.152 1.00 0.00 C ATOM 361 CG1 VAL A 24 11.200 28.241 -6.486 1.00 0.00 C ATOM 362 CG2 VAL A 24 13.106 29.083 -5.127 1.00 0.00 C ATOM 0 H VAL A 24 10.970 29.749 -8.598 1.00 0.00 H new ATOM 0 HA VAL A 24 13.378 30.796 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 24 11.387 30.234 -5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.718 27.871 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.439 28.509 -7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.843 27.464 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.629 28.713 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.749 28.307 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.706 29.961 -4.889 1.00 0.00 H new ATOM 372 N GLU A 25 14.795 28.928 -7.859 1.00 0.00 N ATOM 373 CA GLU A 25 15.647 27.900 -8.473 1.00 0.00 C ATOM 374 C GLU A 25 15.960 26.733 -7.556 1.00 0.00 C ATOM 375 O GLU A 25 16.437 26.881 -6.447 1.00 0.00 O ATOM 376 CB GLU A 25 16.972 28.561 -8.875 1.00 0.00 C ATOM 377 CG GLU A 25 16.843 29.131 -10.290 1.00 0.00 C ATOM 378 CD GLU A 25 18.178 29.756 -10.707 1.00 0.00 C ATOM 379 OE1 GLU A 25 19.157 29.031 -10.650 1.00 0.00 O ATOM 380 OE2 GLU A 25 18.141 30.924 -11.063 1.00 0.00 O ATOM 0 H GLU A 25 15.280 29.621 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 25 15.098 27.496 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.224 29.355 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.782 27.832 -8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.564 28.342 -10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.052 29.880 -10.322 1.00 0.00 H new ATOM 387 N LEU A 26 15.660 25.607 -8.078 1.00 0.00 N ATOM 388 CA LEU A 26 15.870 24.341 -7.412 1.00 0.00 C ATOM 389 C LEU A 26 16.926 23.713 -8.262 1.00 0.00 C ATOM 390 O LEU A 26 16.890 22.537 -8.563 1.00 0.00 O ATOM 391 CB LEU A 26 14.574 23.496 -7.403 1.00 0.00 C ATOM 392 CG LEU A 26 13.581 24.137 -6.442 1.00 0.00 C ATOM 393 CD1 LEU A 26 12.253 23.387 -6.517 1.00 0.00 C ATOM 394 CD2 LEU A 26 14.123 24.046 -5.013 1.00 0.00 C ATOM 0 H LEU A 26 15.248 25.516 -9.007 1.00 0.00 H new ATOM 0 HA LEU A 26 16.153 24.434 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.150 23.444 -8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.792 22.473 -7.095 1.00 0.00 H new ATOM 0 HG LEU A 26 13.434 25.182 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.539 23.842 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.863 23.439 -7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.408 22.344 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.413 24.505 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.265 22.999 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.077 24.569 -4.952 1.00 0.00 H new ATOM 406 N GLU A 27 17.818 24.620 -8.726 1.00 0.00 N ATOM 407 CA GLU A 27 18.962 24.250 -9.610 1.00 0.00 C ATOM 408 C GLU A 27 19.547 22.925 -9.271 1.00 0.00 C ATOM 409 O GLU A 27 20.434 22.453 -9.954 1.00 0.00 O ATOM 410 CB GLU A 27 20.054 25.319 -9.462 1.00 0.00 C ATOM 411 CG GLU A 27 20.673 25.586 -10.835 1.00 0.00 C ATOM 412 CD GLU A 27 21.840 26.563 -10.687 1.00 0.00 C ATOM 413 OE1 GLU A 27 22.806 26.162 -10.057 1.00 0.00 O ATOM 414 OE2 GLU A 27 21.701 27.655 -11.212 1.00 0.00 O ATOM 0 H GLU A 27 17.772 25.615 -8.506 1.00 0.00 H new ATOM 0 HA GLU A 27 18.586 24.190 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.631 26.237 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 27 20.819 24.982 -8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.020 24.652 -11.277 1.00 0.00 H new ATOM 0 HG3 GLU A 27 19.923 25.998 -11.510 1.00 0.00 H new ATOM 421 N ASN A 28 19.083 22.338 -8.236 1.00 0.00 N ATOM 422 CA ASN A 28 19.615 21.041 -7.896 1.00 0.00 C ATOM 423 C ASN A 28 19.053 20.110 -8.983 1.00 0.00 C ATOM 424 O ASN A 28 18.898 18.918 -8.798 1.00 0.00 O ATOM 425 CB ASN A 28 19.083 20.617 -6.515 1.00 0.00 C ATOM 426 CG ASN A 28 20.092 21.025 -5.440 1.00 0.00 C ATOM 427 OD1 ASN A 28 20.476 22.174 -5.338 1.00 0.00 O ATOM 428 ND2 ASN A 28 20.545 20.118 -4.618 1.00 0.00 N ATOM 0 H ASN A 28 18.360 22.704 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 28 20.704 21.023 -7.850 1.00 0.00 H new ATOM 0 HB2 ASN A 28 18.119 21.088 -6.323 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.922 19.539 -6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.217 20.375 -3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 28 20.227 19.152 -4.698 1.00 0.00 H new ATOM 435 N GLY A 29 18.762 20.743 -10.133 1.00 0.00 N ATOM 436 CA GLY A 29 18.207 20.035 -11.302 1.00 0.00 C ATOM 437 C GLY A 29 16.772 20.547 -11.646 1.00 0.00 C ATOM 438 O GLY A 29 16.280 20.269 -12.723 1.00 0.00 O ATOM 0 H GLY A 29 18.902 21.743 -10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.862 20.178 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.175 18.964 -11.100 1.00 0.00 H new ATOM 442 N HIS A 30 16.123 21.287 -10.723 1.00 0.00 N ATOM 443 CA HIS A 30 14.729 21.796 -11.029 1.00 0.00 C ATOM 444 C HIS A 30 14.558 23.333 -10.882 1.00 0.00 C ATOM 445 O HIS A 30 15.328 23.996 -10.233 1.00 0.00 O ATOM 446 CB HIS A 30 13.759 21.107 -10.060 1.00 0.00 C ATOM 447 CG HIS A 30 13.639 19.632 -10.446 1.00 0.00 C ATOM 448 ND1 HIS A 30 13.143 19.211 -11.512 1.00 0.00 N ATOM 449 CD2 HIS A 30 14.036 18.503 -9.756 1.00 0.00 C ATOM 450 CE1 HIS A 30 13.183 17.946 -11.578 1.00 0.00 C ATOM 451 NE2 HIS A 30 13.738 17.399 -10.496 1.00 0.00 N ATOM 0 H HIS A 30 16.495 21.544 -9.809 1.00 0.00 H new ATOM 0 HA HIS A 30 14.529 21.565 -12.075 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.119 21.201 -9.036 1.00 0.00 H new ATOM 0 HB3 HIS A 30 12.782 21.588 -10.099 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.508 18.497 -8.784 1.00 0.00 H new ATOM 0 HE1 HIS A 30 12.810 17.376 -12.416 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.897 16.415 -10.280 1.00 0.00 H new ATOM 459 N VAL A 31 13.578 23.852 -11.584 1.00 0.00 N ATOM 460 CA VAL A 31 13.272 25.328 -11.541 1.00 0.00 C ATOM 461 C VAL A 31 11.758 25.463 -11.309 1.00 0.00 C ATOM 462 O VAL A 31 11.018 24.609 -11.755 1.00 0.00 O ATOM 463 CB VAL A 31 13.639 25.955 -12.883 1.00 0.00 C ATOM 464 CG1 VAL A 31 13.006 27.346 -12.987 1.00 0.00 C ATOM 465 CG2 VAL A 31 15.155 26.090 -12.964 1.00 0.00 C ATOM 0 H VAL A 31 12.966 23.312 -12.195 1.00 0.00 H new ATOM 0 HA VAL A 31 13.835 25.828 -10.753 1.00 0.00 H new ATOM 0 HB VAL A 31 13.274 25.327 -13.696 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.268 27.794 -13.945 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.922 27.259 -12.911 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.377 27.976 -12.178 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.430 26.537 -13.919 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.508 26.725 -12.151 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.613 25.105 -12.880 1.00 0.00 H new ATOM 475 N VAL A 32 11.290 26.506 -10.641 1.00 0.00 N ATOM 476 CA VAL A 32 9.812 26.589 -10.442 1.00 0.00 C ATOM 477 C VAL A 32 9.303 28.009 -10.349 1.00 0.00 C ATOM 478 O VAL A 32 10.058 28.957 -10.305 1.00 0.00 O ATOM 479 CB VAL A 32 9.450 25.883 -9.149 1.00 0.00 C ATOM 480 CG1 VAL A 32 8.064 25.280 -9.280 1.00 0.00 C ATOM 481 CG2 VAL A 32 10.444 24.761 -8.858 1.00 0.00 C ATOM 0 H VAL A 32 11.845 27.265 -10.245 1.00 0.00 H new ATOM 0 HA VAL A 32 9.350 26.122 -11.312 1.00 0.00 H new ATOM 0 HB VAL A 32 9.476 26.608 -8.336 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.799 24.771 -8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.341 26.071 -9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.055 24.564 -10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.170 24.265 -7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.426 24.038 -9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.447 25.178 -8.765 1.00 0.00 H new ATOM 491 N THR A 33 8.002 28.105 -10.319 1.00 0.00 N ATOM 492 CA THR A 33 7.336 29.419 -10.228 1.00 0.00 C ATOM 493 C THR A 33 6.491 29.466 -8.970 1.00 0.00 C ATOM 494 O THR A 33 5.782 28.524 -8.674 1.00 0.00 O ATOM 495 CB THR A 33 6.425 29.572 -11.441 1.00 0.00 C ATOM 496 OG1 THR A 33 7.174 30.315 -12.375 1.00 0.00 O ATOM 497 CG2 THR A 33 5.213 30.459 -11.116 1.00 0.00 C ATOM 0 H THR A 33 7.367 27.308 -10.355 1.00 0.00 H new ATOM 0 HA THR A 33 8.077 30.218 -10.199 1.00 0.00 H new ATOM 0 HB THR A 33 6.092 28.590 -11.778 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.643 30.449 -13.187 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.581 30.550 -12.000 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.640 30.009 -10.305 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.557 31.448 -10.812 1.00 0.00 H new ATOM 505 N ALA A 34 6.569 30.544 -8.241 1.00 0.00 N ATOM 506 CA ALA A 34 5.755 30.615 -7.005 1.00 0.00 C ATOM 507 C ALA A 34 5.382 32.045 -6.654 1.00 0.00 C ATOM 508 O ALA A 34 5.750 32.975 -7.343 1.00 0.00 O ATOM 509 CB ALA A 34 6.577 30.025 -5.851 1.00 0.00 C ATOM 0 H ALA A 34 7.148 31.359 -8.444 1.00 0.00 H new ATOM 0 HA ALA A 34 4.834 30.056 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.995 30.068 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.826 28.988 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.495 30.600 -5.727 1.00 0.00 H new ATOM 515 N HIS A 35 4.649 32.184 -5.576 1.00 0.00 N ATOM 516 CA HIS A 35 4.222 33.534 -5.132 1.00 0.00 C ATOM 517 C HIS A 35 4.479 33.691 -3.642 1.00 0.00 C ATOM 518 O HIS A 35 4.570 32.714 -2.926 1.00 0.00 O ATOM 519 CB HIS A 35 2.713 33.674 -5.393 1.00 0.00 C ATOM 520 CG HIS A 35 2.220 35.016 -4.846 1.00 0.00 C ATOM 521 ND1 HIS A 35 2.850 36.243 -4.821 1.00 0.00 N flip ATOM 522 CD2 HIS A 35 1.106 35.201 -4.315 1.00 0.00 C flip ATOM 523 CE1 HIS A 35 2.021 37.157 -4.238 1.00 0.00 C flip ATOM 524 NE2 HIS A 35 0.955 36.407 -3.956 1.00 0.00 N flip ATOM 0 H HIS A 35 4.331 31.414 -4.987 1.00 0.00 H new ATOM 0 HA HIS A 35 4.780 34.296 -5.676 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.511 33.609 -6.462 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.174 32.855 -4.917 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.363 34.429 -4.178 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.185 38.209 -4.054 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.114 36.764 -3.503 1.00 0.00 H new ATOM 532 N ILE A 36 4.580 34.914 -3.199 1.00 0.00 N ATOM 533 CA ILE A 36 4.834 35.148 -1.753 1.00 0.00 C ATOM 534 C ILE A 36 3.539 35.465 -1.007 1.00 0.00 C ATOM 535 O ILE A 36 2.565 35.888 -1.597 1.00 0.00 O ATOM 536 CB ILE A 36 5.779 36.342 -1.632 1.00 0.00 C ATOM 537 CG1 ILE A 36 6.220 36.519 -0.185 1.00 0.00 C ATOM 538 CG2 ILE A 36 5.025 37.610 -2.072 1.00 0.00 C ATOM 539 CD1 ILE A 36 7.086 37.778 -0.077 1.00 0.00 C ATOM 0 H ILE A 36 4.498 35.754 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 36 5.266 34.248 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 36 6.655 36.173 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.350 36.604 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.782 35.646 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.686 38.473 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.698 37.499 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.156 37.758 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.406 37.912 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.962 37.673 -0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.507 38.646 -0.393 1.00 0.00 H new ATOM 551 N SER A 37 3.557 35.256 0.284 1.00 0.00 N ATOM 552 CA SER A 37 2.346 35.537 1.088 1.00 0.00 C ATOM 553 C SER A 37 2.282 37.009 1.477 1.00 0.00 C ATOM 554 O SER A 37 3.267 37.717 1.403 1.00 0.00 O ATOM 555 CB SER A 37 2.409 34.692 2.368 1.00 0.00 C ATOM 556 OG SER A 37 1.848 33.443 1.988 1.00 0.00 O ATOM 0 H SER A 37 4.358 34.904 0.808 1.00 0.00 H new ATOM 0 HA SER A 37 1.463 35.293 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.434 34.578 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.844 35.153 3.178 1.00 0.00 H new ATOM 0 HG SER A 37 1.852 32.835 2.757 1.00 0.00 H new ATOM 562 N GLY A 38 1.122 37.445 1.887 1.00 0.00 N ATOM 563 CA GLY A 38 0.976 38.874 2.286 1.00 0.00 C ATOM 564 C GLY A 38 1.498 39.092 3.709 1.00 0.00 C ATOM 565 O GLY A 38 1.995 40.154 4.032 1.00 0.00 O ATOM 0 H GLY A 38 0.276 36.880 1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.524 39.509 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.072 39.168 2.228 1.00 0.00 H new ATOM 569 N LYS A 39 1.375 38.085 4.530 1.00 0.00 N ATOM 570 CA LYS A 39 1.859 38.220 5.927 1.00 0.00 C ATOM 571 C LYS A 39 3.275 38.786 5.960 1.00 0.00 C ATOM 572 O LYS A 39 3.540 39.771 6.621 1.00 0.00 O ATOM 573 CB LYS A 39 1.868 36.825 6.575 1.00 0.00 C ATOM 574 CG LYS A 39 0.431 36.424 6.922 1.00 0.00 C ATOM 575 CD LYS A 39 0.456 35.152 7.774 1.00 0.00 C ATOM 576 CE LYS A 39 -0.922 34.944 8.406 1.00 0.00 C ATOM 577 NZ LYS A 39 -0.867 33.866 9.435 1.00 0.00 N ATOM 0 H LYS A 39 0.963 37.182 4.294 1.00 0.00 H new ATOM 0 HA LYS A 39 1.200 38.900 6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.307 36.097 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.484 36.832 7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.063 37.230 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.142 36.255 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.721 34.292 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.217 35.234 8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.263 35.873 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.647 34.682 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.810 33.738 9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.562 32.977 8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.191 34.131 10.179 1.00 0.00 H new ATOM 591 N MET A 40 4.162 38.156 5.243 1.00 0.00 N ATOM 592 CA MET A 40 5.560 38.649 5.225 1.00 0.00 C ATOM 593 C MET A 40 5.605 40.144 4.928 1.00 0.00 C ATOM 594 O MET A 40 6.365 40.877 5.527 1.00 0.00 O ATOM 595 CB MET A 40 6.323 37.902 4.120 1.00 0.00 C ATOM 596 CG MET A 40 6.192 36.395 4.351 1.00 0.00 C ATOM 597 SD MET A 40 6.082 35.820 6.063 1.00 0.00 S ATOM 598 CE MET A 40 7.853 35.877 6.437 1.00 0.00 C ATOM 0 H MET A 40 3.979 37.329 4.675 1.00 0.00 H new ATOM 0 HA MET A 40 6.012 38.474 6.202 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.924 38.168 3.141 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.373 38.193 4.126 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.304 36.049 3.822 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.049 35.908 3.887 1.00 0.00 H new ATOM 0 HE1 MET A 40 8.018 35.555 7.465 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.390 35.214 5.759 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.218 36.896 6.313 1.00 0.00 H new ATOM 608 N ARG A 41 4.784 40.567 4.006 1.00 0.00 N ATOM 609 CA ARG A 41 4.762 42.005 3.654 1.00 0.00 C ATOM 610 C ARG A 41 4.290 42.851 4.831 1.00 0.00 C ATOM 611 O ARG A 41 4.795 43.932 5.062 1.00 0.00 O ATOM 612 CB ARG A 41 3.790 42.199 2.480 1.00 0.00 C ATOM 613 CG ARG A 41 4.593 42.469 1.205 1.00 0.00 C ATOM 614 CD ARG A 41 4.970 43.951 1.155 1.00 0.00 C ATOM 615 NE ARG A 41 4.139 44.626 0.118 1.00 0.00 N ATOM 616 CZ ARG A 41 4.694 45.495 -0.681 1.00 0.00 C ATOM 617 NH1 ARG A 41 5.345 46.502 -0.166 1.00 0.00 N ATOM 618 NH2 ARG A 41 4.579 45.329 -1.971 1.00 0.00 N ATOM 0 H ARG A 41 4.133 39.979 3.486 1.00 0.00 H new ATOM 0 HA ARG A 41 5.771 42.320 3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.171 41.311 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.116 43.031 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.491 41.852 1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.006 42.201 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.808 44.414 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.029 44.063 0.921 1.00 0.00 H new ATOM 0 HE ARG A 41 3.146 44.410 0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.414 46.600 0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.785 47.191 -0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.062 44.530 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.006 45.998 -2.611 1.00 0.00 H new ATOM 632 N LYS A 42 3.331 42.346 5.556 1.00 0.00 N ATOM 633 CA LYS A 42 2.820 43.108 6.716 1.00 0.00 C ATOM 634 C LYS A 42 3.913 43.287 7.755 1.00 0.00 C ATOM 635 O LYS A 42 3.881 44.215 8.539 1.00 0.00 O ATOM 636 CB LYS A 42 1.657 42.321 7.352 1.00 0.00 C ATOM 637 CG LYS A 42 0.380 42.535 6.531 1.00 0.00 C ATOM 638 CD LYS A 42 -0.775 42.858 7.481 1.00 0.00 C ATOM 639 CE LYS A 42 -1.145 41.597 8.265 1.00 0.00 C ATOM 640 NZ LYS A 42 -1.952 41.947 9.466 1.00 0.00 N ATOM 0 H LYS A 42 2.885 41.443 5.393 1.00 0.00 H new ATOM 0 HA LYS A 42 2.484 44.089 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.902 41.260 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.500 42.651 8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.522 43.349 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.151 41.641 5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.487 43.656 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.636 43.217 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.709 40.917 7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.239 41.072 8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.194 41.080 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.401 42.578 10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.825 42.428 9.169 1.00 0.00 H new ATOM 654 N ASN A 43 4.864 42.393 7.747 1.00 0.00 N ATOM 655 CA ASN A 43 5.965 42.503 8.730 1.00 0.00 C ATOM 656 C ASN A 43 6.781 43.752 8.466 1.00 0.00 C ATOM 657 O ASN A 43 7.712 44.056 9.183 1.00 0.00 O ATOM 658 CB ASN A 43 6.874 41.271 8.589 1.00 0.00 C ATOM 659 CG ASN A 43 7.092 40.646 9.968 1.00 0.00 C ATOM 660 OD1 ASN A 43 6.155 40.299 10.659 1.00 0.00 O ATOM 661 ND2 ASN A 43 8.311 40.487 10.406 1.00 0.00 N ATOM 0 H ASN A 43 4.922 41.601 7.107 1.00 0.00 H new ATOM 0 HA ASN A 43 5.548 42.558 9.735 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.420 40.545 7.915 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.830 41.558 8.151 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.473 40.073 11.324 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.102 40.776 9.830 1.00 0.00 H new ATOM 668 N TYR A 44 6.413 44.456 7.437 1.00 0.00 N ATOM 669 CA TYR A 44 7.149 45.695 7.099 1.00 0.00 C ATOM 670 C TYR A 44 8.577 45.385 6.630 1.00 0.00 C ATOM 671 O TYR A 44 9.537 45.929 7.141 1.00 0.00 O ATOM 672 CB TYR A 44 7.203 46.577 8.365 1.00 0.00 C ATOM 673 CG TYR A 44 7.186 48.053 7.957 1.00 0.00 C ATOM 674 CD1 TYR A 44 6.001 48.667 7.610 1.00 0.00 C ATOM 675 CD2 TYR A 44 8.354 48.788 7.930 1.00 0.00 C ATOM 676 CE1 TYR A 44 5.983 49.997 7.242 1.00 0.00 C ATOM 677 CE2 TYR A 44 8.336 50.118 7.562 1.00 0.00 C ATOM 678 CZ TYR A 44 7.149 50.733 7.215 1.00 0.00 C ATOM 679 OH TYR A 44 7.131 52.063 6.846 1.00 0.00 O ATOM 0 H TYR A 44 5.636 44.226 6.818 1.00 0.00 H new ATOM 0 HA TYR A 44 6.636 46.207 6.285 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.353 46.357 9.011 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.104 46.357 8.937 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.080 48.103 7.626 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.289 48.319 8.199 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.048 50.465 6.973 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.257 50.682 7.545 1.00 0.00 H new ATOM 0 HH TYR A 44 8.041 52.425 6.884 1.00 0.00 H new ATOM 689 N ILE A 45 8.688 44.520 5.652 1.00 0.00 N ATOM 690 CA ILE A 45 10.034 44.166 5.140 1.00 0.00 C ATOM 691 C ILE A 45 9.974 43.800 3.659 1.00 0.00 C ATOM 692 O ILE A 45 9.271 42.886 3.272 1.00 0.00 O ATOM 693 CB ILE A 45 10.553 42.959 5.924 1.00 0.00 C ATOM 694 CG1 ILE A 45 10.926 43.380 7.339 1.00 0.00 C ATOM 695 CG2 ILE A 45 11.817 42.426 5.224 1.00 0.00 C ATOM 696 CD1 ILE A 45 11.512 42.178 8.084 1.00 0.00 C ATOM 0 H ILE A 45 7.907 44.050 5.193 1.00 0.00 H new ATOM 0 HA ILE A 45 10.694 45.024 5.262 1.00 0.00 H new ATOM 0 HB ILE A 45 9.779 42.193 5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.651 44.194 7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.047 43.755 7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.200 41.564 5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.570 42.128 4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.577 43.207 5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.781 42.474 9.098 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.772 41.378 8.124 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.401 41.824 7.562 1.00 0.00 H new ATOM 708 N ARG A 46 10.714 44.518 2.856 1.00 0.00 N ATOM 709 CA ARG A 46 10.709 44.221 1.401 1.00 0.00 C ATOM 710 C ARG A 46 11.517 42.963 1.105 1.00 0.00 C ATOM 711 O ARG A 46 12.289 42.513 1.928 1.00 0.00 O ATOM 712 CB ARG A 46 11.347 45.408 0.660 1.00 0.00 C ATOM 713 CG ARG A 46 10.917 45.378 -0.811 1.00 0.00 C ATOM 714 CD ARG A 46 10.007 46.578 -1.095 1.00 0.00 C ATOM 715 NE ARG A 46 9.249 46.324 -2.355 1.00 0.00 N ATOM 716 CZ ARG A 46 9.399 47.134 -3.373 1.00 0.00 C ATOM 717 NH1 ARG A 46 10.419 46.965 -4.169 1.00 0.00 N ATOM 718 NH2 ARG A 46 8.524 48.085 -3.557 1.00 0.00 N ATOM 0 H ARG A 46 11.315 45.290 3.145 1.00 0.00 H new ATOM 0 HA ARG A 46 9.682 44.062 1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.040 46.347 1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.433 45.356 0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.793 45.409 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.392 44.448 -1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.317 46.732 -0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.601 47.487 -1.189 1.00 0.00 H new ATOM 0 HE ARG A 46 8.618 45.525 -2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.084 46.211 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.552 47.586 -4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.740 48.188 -2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.625 48.725 -4.345 1.00 0.00 H new ATOM 732 N ILE A 47 11.319 42.418 -0.072 1.00 0.00 N ATOM 733 CA ILE A 47 12.061 41.186 -0.452 1.00 0.00 C ATOM 734 C ILE A 47 13.158 41.483 -1.470 1.00 0.00 C ATOM 735 O ILE A 47 12.938 42.191 -2.435 1.00 0.00 O ATOM 736 CB ILE A 47 11.069 40.219 -1.090 1.00 0.00 C ATOM 737 CG1 ILE A 47 11.782 38.927 -1.464 1.00 0.00 C ATOM 738 CG2 ILE A 47 10.514 40.861 -2.372 1.00 0.00 C ATOM 739 CD1 ILE A 47 10.801 37.991 -2.174 1.00 0.00 C ATOM 0 H ILE A 47 10.677 42.775 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 47 12.524 40.767 0.442 1.00 0.00 H new ATOM 0 HB ILE A 47 10.264 40.003 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 47 12.631 39.142 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.178 38.446 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.802 40.181 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.013 41.796 -2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.333 41.061 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.311 37.066 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.967 37.766 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.426 38.474 -3.077 1.00 0.00 H new ATOM 751 N LEU A 48 14.324 40.928 -1.235 1.00 0.00 N ATOM 752 CA LEU A 48 15.457 41.157 -2.173 1.00 0.00 C ATOM 753 C LEU A 48 15.662 39.931 -3.060 1.00 0.00 C ATOM 754 O LEU A 48 15.301 38.836 -2.690 1.00 0.00 O ATOM 755 CB LEU A 48 16.736 41.415 -1.350 1.00 0.00 C ATOM 756 CG LEU A 48 17.084 40.166 -0.540 1.00 0.00 C ATOM 757 CD1 LEU A 48 18.495 40.314 0.037 1.00 0.00 C ATOM 758 CD2 LEU A 48 16.084 40.011 0.606 1.00 0.00 C ATOM 0 H LEU A 48 14.534 40.330 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 48 15.237 42.016 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.562 41.673 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.586 42.264 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 48 17.041 39.288 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.747 39.425 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.210 40.432 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.534 41.191 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.330 39.121 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.131 40.888 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.077 39.913 0.200 1.00 0.00 H new ATOM 770 N THR A 49 16.234 40.134 -4.212 1.00 0.00 N ATOM 771 CA THR A 49 16.463 38.982 -5.126 1.00 0.00 C ATOM 772 C THR A 49 17.300 37.907 -4.476 1.00 0.00 C ATOM 773 O THR A 49 18.282 38.159 -3.805 1.00 0.00 O ATOM 774 CB THR A 49 17.175 39.482 -6.380 1.00 0.00 C ATOM 775 OG1 THR A 49 16.157 40.018 -7.201 1.00 0.00 O ATOM 776 CG2 THR A 49 17.743 38.309 -7.186 1.00 0.00 C ATOM 0 H THR A 49 16.551 41.039 -4.559 1.00 0.00 H new ATOM 0 HA THR A 49 15.495 38.547 -5.375 1.00 0.00 H new ATOM 0 HB THR A 49 17.968 40.176 -6.103 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.552 40.361 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.246 38.688 -8.075 1.00 0.00 H new ATOM 0 HG22 THR A 49 18.456 37.758 -6.573 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.931 37.645 -7.484 1.00 0.00 H new ATOM 784 N GLY A 50 16.860 36.738 -4.707 1.00 0.00 N ATOM 785 CA GLY A 50 17.506 35.528 -4.179 1.00 0.00 C ATOM 786 C GLY A 50 17.188 35.402 -2.721 1.00 0.00 C ATOM 787 O GLY A 50 17.995 35.698 -1.861 1.00 0.00 O ATOM 0 H GLY A 50 16.032 36.551 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.155 34.648 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.585 35.583 -4.326 1.00 0.00 H new ATOM 791 N ASP A 51 16.007 34.950 -2.489 1.00 0.00 N ATOM 792 CA ASP A 51 15.534 34.751 -1.128 1.00 0.00 C ATOM 793 C ASP A 51 15.498 33.287 -0.916 1.00 0.00 C ATOM 794 O ASP A 51 14.826 32.607 -1.676 1.00 0.00 O ATOM 795 CB ASP A 51 14.110 35.335 -0.962 1.00 0.00 C ATOM 796 CG ASP A 51 13.633 35.938 -2.282 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.446 36.594 -2.905 1.00 0.00 O ATOM 798 OD2 ASP A 51 12.474 35.710 -2.593 1.00 0.00 O ATOM 0 H ASP A 51 15.333 34.704 -3.214 1.00 0.00 H new ATOM 0 HA ASP A 51 16.184 35.250 -0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.423 34.552 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.110 36.098 -0.184 1.00 0.00 H new ATOM 803 N LYS A 52 16.176 32.763 0.044 1.00 0.00 N ATOM 804 CA LYS A 52 16.063 31.317 0.162 1.00 0.00 C ATOM 805 C LYS A 52 14.693 31.068 0.724 1.00 0.00 C ATOM 806 O LYS A 52 14.442 31.387 1.859 1.00 0.00 O ATOM 807 CB LYS A 52 17.132 30.792 1.128 1.00 0.00 C ATOM 808 CG LYS A 52 18.416 30.514 0.350 1.00 0.00 C ATOM 809 CD LYS A 52 19.551 30.253 1.339 1.00 0.00 C ATOM 810 CE LYS A 52 20.888 30.434 0.623 1.00 0.00 C ATOM 811 NZ LYS A 52 20.992 29.502 -0.536 1.00 0.00 N ATOM 0 H LYS A 52 16.772 33.246 0.716 1.00 0.00 H new ATOM 0 HA LYS A 52 16.206 30.814 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.320 31.523 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.783 29.882 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.281 29.652 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.661 31.363 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.480 30.939 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.474 29.243 1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.986 31.464 0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.707 30.251 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.984 29.438 -0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.655 28.559 -0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.409 29.858 -1.321 1.00 0.00 H new ATOM 825 N VAL A 53 13.831 30.482 -0.072 1.00 0.00 N ATOM 826 CA VAL A 53 12.442 30.218 0.426 1.00 0.00 C ATOM 827 C VAL A 53 12.029 28.774 0.359 1.00 0.00 C ATOM 828 O VAL A 53 12.670 27.961 -0.274 1.00 0.00 O ATOM 829 CB VAL A 53 11.494 31.016 -0.473 1.00 0.00 C ATOM 830 CG1 VAL A 53 11.917 32.491 -0.466 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.596 30.473 -1.902 1.00 0.00 C ATOM 0 H VAL A 53 14.022 30.180 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 53 12.406 30.505 1.477 1.00 0.00 H new ATOM 0 HB VAL A 53 10.470 30.925 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.246 33.065 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.869 32.878 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.937 32.579 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.925 31.033 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.620 30.579 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.315 29.420 -1.912 1.00 0.00 H new ATOM 841 N ARG A 54 10.936 28.481 1.035 1.00 0.00 N ATOM 842 CA ARG A 54 10.434 27.094 1.037 1.00 0.00 C ATOM 843 C ARG A 54 9.359 26.986 -0.023 1.00 0.00 C ATOM 844 O ARG A 54 8.317 27.602 0.091 1.00 0.00 O ATOM 845 CB ARG A 54 9.834 26.800 2.421 1.00 0.00 C ATOM 846 CG ARG A 54 9.838 25.292 2.678 1.00 0.00 C ATOM 847 CD ARG A 54 9.102 25.012 3.992 1.00 0.00 C ATOM 848 NE ARG A 54 9.268 23.576 4.350 1.00 0.00 N ATOM 849 CZ ARG A 54 8.313 22.962 4.998 1.00 0.00 C ATOM 850 NH1 ARG A 54 7.188 22.725 4.383 1.00 0.00 N ATOM 851 NH2 ARG A 54 8.516 22.608 6.239 1.00 0.00 N ATOM 0 H ARG A 54 10.385 29.147 1.576 1.00 0.00 H new ATOM 0 HA ARG A 54 11.233 26.382 0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.409 27.311 3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.816 27.185 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.353 24.768 1.855 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.862 24.921 2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.497 25.645 4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.044 25.253 3.889 1.00 0.00 H new ATOM 0 HE ARG A 54 10.119 23.076 4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.065 23.017 3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.431 22.247 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.409 22.812 6.688 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.781 22.128 6.759 1.00 0.00 H new ATOM 865 N VAL A 55 9.617 26.199 -1.030 1.00 0.00 N ATOM 866 CA VAL A 55 8.618 26.050 -2.107 1.00 0.00 C ATOM 867 C VAL A 55 7.812 24.776 -1.987 1.00 0.00 C ATOM 868 O VAL A 55 8.353 23.703 -1.800 1.00 0.00 O ATOM 869 CB VAL A 55 9.375 26.002 -3.443 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.447 26.463 -4.567 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.580 26.935 -3.379 1.00 0.00 C ATOM 0 H VAL A 55 10.474 25.658 -1.148 1.00 0.00 H new ATOM 0 HA VAL A 55 7.926 26.890 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 55 9.709 24.982 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.981 26.430 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.580 25.805 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.117 27.483 -4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.117 26.901 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.242 27.954 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.243 26.618 -2.574 1.00 0.00 H new ATOM 881 N GLU A 56 6.519 24.928 -2.101 1.00 0.00 N ATOM 882 CA GLU A 56 5.623 23.767 -2.010 1.00 0.00 C ATOM 883 C GLU A 56 5.119 23.466 -3.400 1.00 0.00 C ATOM 884 O GLU A 56 4.467 24.290 -4.006 1.00 0.00 O ATOM 885 CB GLU A 56 4.429 24.131 -1.109 1.00 0.00 C ATOM 886 CG GLU A 56 4.860 24.049 0.356 1.00 0.00 C ATOM 887 CD GLU A 56 3.657 24.343 1.254 1.00 0.00 C ATOM 888 OE1 GLU A 56 2.607 23.802 0.947 1.00 0.00 O ATOM 889 OE2 GLU A 56 3.855 25.092 2.197 1.00 0.00 O ATOM 0 H GLU A 56 6.052 25.822 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 56 6.144 22.904 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.076 25.136 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.598 23.451 -1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.258 23.058 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.659 24.764 0.553 1.00 0.00 H new ATOM 896 N LEU A 57 5.405 22.296 -3.884 1.00 0.00 N ATOM 897 CA LEU A 57 4.938 21.954 -5.245 1.00 0.00 C ATOM 898 C LEU A 57 3.612 21.233 -5.190 1.00 0.00 C ATOM 899 O LEU A 57 3.368 20.455 -4.289 1.00 0.00 O ATOM 900 CB LEU A 57 5.979 21.028 -5.896 1.00 0.00 C ATOM 901 CG LEU A 57 7.380 21.603 -5.672 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.414 20.517 -5.966 1.00 0.00 C ATOM 903 CD2 LEU A 57 7.604 22.780 -6.622 1.00 0.00 C ATOM 0 H LEU A 57 5.936 21.570 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 57 4.814 22.871 -5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.911 20.028 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.780 20.932 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 57 7.479 21.943 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.416 20.917 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.252 19.671 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.312 20.188 -7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.601 23.191 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.512 22.438 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.859 23.551 -6.428 1.00 0.00 H new ATOM 915 N THR A 58 2.781 21.496 -6.170 1.00 0.00 N ATOM 916 CA THR A 58 1.450 20.839 -6.201 1.00 0.00 C ATOM 917 C THR A 58 1.382 19.766 -7.300 1.00 0.00 C ATOM 918 O THR A 58 2.013 19.892 -8.330 1.00 0.00 O ATOM 919 CB THR A 58 0.415 21.927 -6.495 1.00 0.00 C ATOM 920 OG1 THR A 58 0.611 22.270 -7.853 1.00 0.00 O ATOM 921 CG2 THR A 58 0.756 23.213 -5.714 1.00 0.00 C ATOM 0 H THR A 58 2.971 22.134 -6.942 1.00 0.00 H new ATOM 0 HA THR A 58 1.261 20.348 -5.246 1.00 0.00 H new ATOM 0 HB THR A 58 -0.585 21.575 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.027 22.968 -8.110 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.012 23.979 -5.932 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.755 23.000 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.742 23.569 -6.012 1.00 0.00 H new ATOM 929 N PRO A 59 0.606 18.715 -7.052 1.00 0.00 N ATOM 930 CA PRO A 59 0.458 17.627 -8.018 1.00 0.00 C ATOM 931 C PRO A 59 -0.153 18.118 -9.327 1.00 0.00 C ATOM 932 O PRO A 59 0.024 17.510 -10.363 1.00 0.00 O ATOM 933 CB PRO A 59 -0.512 16.629 -7.351 1.00 0.00 C ATOM 934 CG PRO A 59 -0.960 17.252 -5.994 1.00 0.00 C ATOM 935 CD PRO A 59 -0.162 18.551 -5.804 1.00 0.00 C ATOM 0 HA PRO A 59 1.426 17.190 -8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.374 16.445 -7.992 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.023 15.668 -7.190 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.031 17.456 -5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.771 16.561 -5.173 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.825 19.400 -5.634 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.499 18.485 -4.940 1.00 0.00 H new ATOM 943 N TYR A 60 -0.861 19.212 -9.258 1.00 0.00 N ATOM 944 CA TYR A 60 -1.485 19.747 -10.491 1.00 0.00 C ATOM 945 C TYR A 60 -0.422 20.239 -11.459 1.00 0.00 C ATOM 946 O TYR A 60 -0.582 20.149 -12.661 1.00 0.00 O ATOM 947 CB TYR A 60 -2.393 20.924 -10.105 1.00 0.00 C ATOM 948 CG TYR A 60 -3.681 20.381 -9.481 1.00 0.00 C ATOM 949 CD1 TYR A 60 -4.511 19.549 -10.204 1.00 0.00 C ATOM 950 CD2 TYR A 60 -4.030 20.713 -8.188 1.00 0.00 C ATOM 951 CE1 TYR A 60 -5.671 19.055 -9.643 1.00 0.00 C ATOM 952 CE2 TYR A 60 -5.190 20.220 -7.626 1.00 0.00 C ATOM 953 CZ TYR A 60 -6.021 19.387 -8.350 1.00 0.00 C ATOM 954 OH TYR A 60 -7.181 18.893 -7.789 1.00 0.00 O ATOM 0 H TYR A 60 -1.031 19.751 -8.409 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.059 18.957 -10.975 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.881 21.578 -9.400 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.626 21.524 -10.985 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.251 19.282 -11.218 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.390 21.364 -7.611 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.310 18.403 -10.220 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.450 20.487 -6.612 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.269 19.228 -6.872 1.00 0.00 H new ATOM 964 N ASP A 61 0.649 20.748 -10.919 1.00 0.00 N ATOM 965 CA ASP A 61 1.739 21.253 -11.791 1.00 0.00 C ATOM 966 C ASP A 61 2.974 21.594 -10.967 1.00 0.00 C ATOM 967 O ASP A 61 3.206 22.739 -10.632 1.00 0.00 O ATOM 968 CB ASP A 61 1.251 22.525 -12.496 1.00 0.00 C ATOM 969 CG ASP A 61 0.613 22.151 -13.834 1.00 0.00 C ATOM 970 OD1 ASP A 61 1.257 21.401 -14.549 1.00 0.00 O ATOM 971 OD2 ASP A 61 -0.481 22.637 -14.067 1.00 0.00 O ATOM 0 H ASP A 61 0.815 20.835 -9.916 1.00 0.00 H new ATOM 0 HA ASP A 61 2.001 20.481 -12.515 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.528 23.047 -11.869 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.085 23.208 -12.657 1.00 0.00 H new ATOM 976 N LEU A 62 3.741 20.592 -10.652 1.00 0.00 N ATOM 977 CA LEU A 62 4.961 20.828 -9.856 1.00 0.00 C ATOM 978 C LEU A 62 5.717 22.056 -10.347 1.00 0.00 C ATOM 979 O LEU A 62 6.271 22.795 -9.560 1.00 0.00 O ATOM 980 CB LEU A 62 5.852 19.591 -9.981 1.00 0.00 C ATOM 981 CG LEU A 62 5.120 18.406 -9.338 1.00 0.00 C ATOM 982 CD1 LEU A 62 4.370 17.606 -10.407 1.00 0.00 C ATOM 983 CD2 LEU A 62 6.138 17.495 -8.649 1.00 0.00 C ATOM 0 H LEU A 62 3.571 19.621 -10.914 1.00 0.00 H new ATOM 0 HA LEU A 62 4.683 21.007 -8.817 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.067 19.382 -11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.809 19.760 -9.487 1.00 0.00 H new ATOM 0 HG LEU A 62 4.405 18.784 -8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.854 16.768 -9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.642 18.250 -10.900 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.079 17.230 -11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.621 16.652 -8.191 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.853 17.126 -9.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.667 18.057 -7.880 1.00 0.00 H new ATOM 995 N SER A 63 5.732 22.261 -11.637 1.00 0.00 N ATOM 996 CA SER A 63 6.453 23.445 -12.159 1.00 0.00 C ATOM 997 C SER A 63 5.906 24.693 -11.498 1.00 0.00 C ATOM 998 O SER A 63 6.397 25.784 -11.707 1.00 0.00 O ATOM 999 CB SER A 63 6.223 23.537 -13.675 1.00 0.00 C ATOM 1000 OG SER A 63 5.946 22.200 -14.065 1.00 0.00 O ATOM 0 H SER A 63 5.284 21.669 -12.336 1.00 0.00 H new ATOM 0 HA SER A 63 7.518 23.355 -11.947 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.392 24.202 -13.913 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.101 23.928 -14.188 1.00 0.00 H new ATOM 0 HG SER A 63 5.783 22.168 -15.031 1.00 0.00 H new ATOM 1006 N LYS A 64 4.883 24.492 -10.704 1.00 0.00 N ATOM 1007 CA LYS A 64 4.255 25.626 -9.995 1.00 0.00 C ATOM 1008 C LYS A 64 4.118 25.284 -8.521 1.00 0.00 C ATOM 1009 O LYS A 64 3.847 24.144 -8.155 1.00 0.00 O ATOM 1010 CB LYS A 64 2.861 25.867 -10.593 1.00 0.00 C ATOM 1011 CG LYS A 64 3.014 26.249 -12.070 1.00 0.00 C ATOM 1012 CD LYS A 64 1.641 26.217 -12.744 1.00 0.00 C ATOM 1013 CE LYS A 64 1.633 27.203 -13.913 1.00 0.00 C ATOM 1014 NZ LYS A 64 1.005 28.489 -13.505 1.00 0.00 N ATOM 0 H LYS A 64 4.461 23.582 -10.522 1.00 0.00 H new ATOM 0 HA LYS A 64 4.868 26.521 -10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.249 24.970 -10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.350 26.661 -10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.452 27.243 -12.157 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.693 25.557 -12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.420 25.211 -13.100 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.864 26.479 -12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.653 27.381 -14.253 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.087 26.775 -14.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.007 29.147 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.025 28.316 -13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.543 28.903 -12.717 1.00 0.00 H new ATOM 1028 N GLY A 65 4.291 26.266 -7.702 1.00 0.00 N ATOM 1029 CA GLY A 65 4.181 26.034 -6.250 1.00 0.00 C ATOM 1030 C GLY A 65 4.055 27.365 -5.558 1.00 0.00 C ATOM 1031 O GLY A 65 3.845 28.350 -6.196 1.00 0.00 O ATOM 0 H GLY A 65 4.505 27.225 -7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.314 25.411 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.058 25.500 -5.885 1.00 0.00 H new ATOM 1035 N ARG A 66 4.111 27.355 -4.266 1.00 0.00 N ATOM 1036 CA ARG A 66 3.995 28.645 -3.521 1.00 0.00 C ATOM 1037 C ARG A 66 5.132 28.764 -2.511 1.00 0.00 C ATOM 1038 O ARG A 66 5.755 27.779 -2.172 1.00 0.00 O ATOM 1039 CB ARG A 66 2.652 28.664 -2.773 1.00 0.00 C ATOM 1040 CG ARG A 66 2.506 27.372 -1.966 1.00 0.00 C ATOM 1041 CD ARG A 66 1.024 27.137 -1.659 1.00 0.00 C ATOM 1042 NE ARG A 66 0.299 28.436 -1.751 1.00 0.00 N ATOM 1043 CZ ARG A 66 -0.843 28.489 -2.382 1.00 0.00 C ATOM 1044 NH1 ARG A 66 -0.914 28.023 -3.599 1.00 0.00 N ATOM 1045 NH2 ARG A 66 -1.875 29.008 -1.775 1.00 0.00 N ATOM 0 H ARG A 66 4.231 26.522 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 66 4.050 29.478 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.604 29.528 -2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.829 28.759 -3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.912 26.530 -2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.076 27.441 -1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.603 26.420 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.909 26.711 -0.662 1.00 0.00 H new ATOM 0 HE ARG A 66 0.691 29.276 -1.325 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.086 27.626 -4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.798 28.056 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.781 29.364 -0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.775 29.058 -2.252 1.00 0.00 H new ATOM 1059 N ILE A 67 5.381 29.970 -2.043 1.00 0.00 N ATOM 1060 CA ILE A 67 6.480 30.156 -1.054 1.00 0.00 C ATOM 1061 C ILE A 67 5.925 30.364 0.344 1.00 0.00 C ATOM 1062 O ILE A 67 4.965 31.081 0.528 1.00 0.00 O ATOM 1063 CB ILE A 67 7.267 31.394 -1.458 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.257 31.030 -2.549 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.047 31.907 -0.234 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.583 32.276 -3.375 1.00 0.00 C ATOM 0 H ILE A 67 4.875 30.817 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 67 7.111 29.267 -1.045 1.00 0.00 H new ATOM 0 HB ILE A 67 6.583 32.161 -1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.167 30.624 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.839 30.254 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.616 32.795 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.348 32.158 0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.730 31.132 0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.294 32.017 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.669 32.662 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.018 33.038 -2.728 1.00 0.00 H new ATOM 1078 N THR A 68 6.555 29.744 1.319 1.00 0.00 N ATOM 1079 CA THR A 68 6.082 29.896 2.673 1.00 0.00 C ATOM 1080 C THR A 68 7.165 29.485 3.638 1.00 0.00 C ATOM 1081 O THR A 68 7.245 28.347 4.041 1.00 0.00 O ATOM 1082 CB THR A 68 4.876 28.980 2.884 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.137 27.830 2.106 1.00 0.00 O ATOM 1084 CG2 THR A 68 3.602 29.582 2.271 1.00 0.00 C ATOM 0 H THR A 68 7.373 29.146 1.203 1.00 0.00 H new ATOM 0 HA THR A 68 5.808 30.937 2.844 1.00 0.00 H new ATOM 0 HB THR A 68 4.734 28.807 3.951 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.556 27.097 2.400 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.763 28.906 2.438 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.392 30.544 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.746 29.724 1.200 1.00 0.00 H new ATOM 1092 N TYR A 69 7.968 30.453 3.931 1.00 0.00 N ATOM 1093 CA TYR A 69 9.143 30.320 4.888 1.00 0.00 C ATOM 1094 C TYR A 69 10.433 30.548 4.141 1.00 0.00 C ATOM 1095 O TYR A 69 10.773 29.802 3.244 1.00 0.00 O ATOM 1096 CB TYR A 69 9.183 28.933 5.571 1.00 0.00 C ATOM 1097 CG TYR A 69 10.266 28.939 6.649 1.00 0.00 C ATOM 1098 CD1 TYR A 69 9.975 29.373 7.925 1.00 0.00 C ATOM 1099 CD2 TYR A 69 11.545 28.509 6.363 1.00 0.00 C ATOM 1100 CE1 TYR A 69 10.947 29.375 8.903 1.00 0.00 C ATOM 1101 CE2 TYR A 69 12.517 28.510 7.342 1.00 0.00 C ATOM 1102 CZ TYR A 69 12.226 28.944 8.621 1.00 0.00 C ATOM 1103 OH TYR A 69 13.198 28.946 9.599 1.00 0.00 O ATOM 0 H TYR A 69 7.872 31.389 3.537 1.00 0.00 H new ATOM 0 HA TYR A 69 9.019 31.072 5.668 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.213 28.703 6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.390 28.157 4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.978 29.714 8.160 1.00 0.00 H new ATOM 0 HD2 TYR A 69 11.787 28.170 5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.704 29.717 9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 69 13.514 28.169 7.107 1.00 0.00 H new ATOM 0 HH TYR A 69 14.039 28.609 9.225 1.00 0.00 H new ATOM 1113 N ARG A 70 11.140 31.587 4.523 1.00 0.00 N ATOM 1114 CA ARG A 70 12.408 31.880 3.840 1.00 0.00 C ATOM 1115 C ARG A 70 13.446 32.466 4.773 1.00 0.00 C ATOM 1116 O ARG A 70 13.123 33.033 5.797 1.00 0.00 O ATOM 1117 CB ARG A 70 12.122 32.898 2.729 1.00 0.00 C ATOM 1118 CG ARG A 70 11.462 34.122 3.343 1.00 0.00 C ATOM 1119 CD ARG A 70 12.480 35.267 3.395 1.00 0.00 C ATOM 1120 NE ARG A 70 11.865 36.437 4.081 1.00 0.00 N ATOM 1121 CZ ARG A 70 11.084 37.235 3.410 1.00 0.00 C ATOM 1122 NH1 ARG A 70 9.885 36.827 3.098 1.00 0.00 N ATOM 1123 NH2 ARG A 70 11.526 38.416 3.074 1.00 0.00 N ATOM 0 H ARG A 70 10.884 32.230 5.272 1.00 0.00 H new ATOM 0 HA ARG A 70 12.807 30.945 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.048 33.180 2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.472 32.458 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.594 34.417 2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.103 33.892 4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.377 34.949 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.788 35.542 2.386 1.00 0.00 H new ATOM 0 HE ARG A 70 12.054 36.612 5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.573 35.897 3.379 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.259 37.438 2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.469 38.701 3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.928 39.054 2.549 1.00 0.00 H new ATOM 1137 N ALA A 71 14.688 32.309 4.383 1.00 0.00 N ATOM 1138 CA ALA A 71 15.801 32.832 5.195 1.00 0.00 C ATOM 1139 C ALA A 71 16.715 33.714 4.348 1.00 0.00 C ATOM 1140 O ALA A 71 16.814 33.536 3.139 1.00 0.00 O ATOM 1141 CB ALA A 71 16.609 31.641 5.725 1.00 0.00 C ATOM 0 H ALA A 71 14.968 31.834 3.525 1.00 0.00 H new ATOM 0 HA ALA A 71 15.402 33.429 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.439 32.005 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.966 31.008 6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.997 31.063 4.887 1.00 0.00 H new ATOM 1147 N ARG A 72 17.362 34.652 5.002 1.00 0.00 N ATOM 1148 CA ARG A 72 18.283 35.572 4.276 1.00 0.00 C ATOM 1149 C ARG A 72 19.693 35.487 4.849 1.00 0.00 C ATOM 1150 O ARG A 72 19.801 35.686 6.047 1.00 0.00 O ATOM 1151 CB ARG A 72 17.766 37.009 4.457 1.00 0.00 C ATOM 1152 CG ARG A 72 16.265 37.044 4.161 1.00 0.00 C ATOM 1153 CD ARG A 72 15.697 38.397 4.596 1.00 0.00 C ATOM 1154 NE ARG A 72 14.245 38.239 4.895 1.00 0.00 N ATOM 1155 CZ ARG A 72 13.873 37.809 6.069 1.00 0.00 C ATOM 1156 NH1 ARG A 72 14.788 37.427 6.919 1.00 0.00 N ATOM 1157 NH2 ARG A 72 12.600 37.770 6.355 1.00 0.00 N ATOM 1158 OXT ARG A 72 20.584 35.229 4.057 1.00 0.00 O ATOM 0 H ARG A 72 17.289 34.816 6.006 1.00 0.00 H new ATOM 0 HA ARG A 72 18.314 35.291 3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.956 37.351 5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 72 18.297 37.686 3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.088 36.887 3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.759 36.237 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.225 38.762 5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.841 39.137 3.809 1.00 0.00 H new ATOM 0 HE ARG A 72 13.547 38.466 4.186 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.774 37.468 6.660 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.517 37.088 7.842 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.913 38.073 5.665 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.293 37.436 7.269 1.00 0.00 H new TER 1172 ARG A 72