USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 718 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 22 SER OG : rot -79:sc= 0.473 USER MOD Single : A 1 ALA N :NH3+ -99:sc= 0.121 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 35:sc= 0.628 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 49:sc= 0.265 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 31 SER OG : rot 30:sc= 0.568 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 48 ASN : amide:sc= -0.533 K(o=-0.53,f=-4.9!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0593 USER MOD Single : A 102 ASN : amide:sc= 0.0217 K(o=0.022,f=-1.3!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.095 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.724 K(o=-0.72,f=-0.013) USER MOD Single : A 112 SER OG : rot 29:sc= 0.479 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.367 15.596 3.114 1.00 0.00 N ATOM 2 CA ALA A 1 -17.918 14.724 1.998 1.00 0.00 C ATOM 3 C ALA A 1 -17.302 13.443 2.549 1.00 0.00 C ATOM 4 O ALA A 1 -16.926 13.411 3.711 1.00 0.00 O ATOM 5 CB ALA A 1 -16.858 15.452 1.162 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.390 15.478 3.256 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.864 15.332 3.985 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.162 16.589 2.883 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.782 14.483 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.533 14.807 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.283 16.369 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.003 15.698 1.792 1.00 0.00 H new ATOM 13 N SER A 2 -17.275 12.417 1.682 1.00 0.00 N ATOM 14 CA SER A 2 -16.708 11.036 1.998 1.00 0.00 C ATOM 15 C SER A 2 -15.998 10.443 0.761 1.00 0.00 C ATOM 16 O SER A 2 -15.553 9.307 0.805 1.00 0.00 O ATOM 17 CB SER A 2 -17.875 10.087 2.396 1.00 0.00 C ATOM 18 OG SER A 2 -18.444 9.691 1.155 1.00 0.00 O ATOM 0 H SER A 2 -17.639 12.492 0.732 1.00 0.00 H new ATOM 0 HA SER A 2 -15.991 11.132 2.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.514 9.227 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.606 10.597 3.024 1.00 0.00 H new ATOM 0 HG SER A 2 -19.195 9.083 1.319 1.00 0.00 H new ATOM 24 N ALA A 3 -15.890 11.264 -0.307 1.00 0.00 N ATOM 25 CA ALA A 3 -15.225 10.887 -1.637 1.00 0.00 C ATOM 26 C ALA A 3 -15.877 9.657 -2.358 1.00 0.00 C ATOM 27 O ALA A 3 -16.965 9.234 -1.990 1.00 0.00 O ATOM 28 CB ALA A 3 -13.681 10.697 -1.431 1.00 0.00 C ATOM 0 H ALA A 3 -16.254 12.217 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.395 11.721 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.217 10.430 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.246 11.626 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.506 9.903 -0.705 1.00 0.00 H new ATOM 34 N ALA A 4 -15.238 9.212 -3.448 1.00 0.00 N ATOM 35 CA ALA A 4 -15.723 8.036 -4.264 1.00 0.00 C ATOM 36 C ALA A 4 -14.567 7.480 -5.107 1.00 0.00 C ATOM 37 O ALA A 4 -13.966 8.236 -5.857 1.00 0.00 O ATOM 38 CB ALA A 4 -16.828 8.504 -5.218 1.00 0.00 C ATOM 0 H ALA A 4 -14.380 9.634 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.100 7.267 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.181 7.659 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -17.657 8.915 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.433 9.272 -5.883 1.00 0.00 H new ATOM 44 N VAL A 5 -14.297 6.171 -4.921 1.00 0.00 N ATOM 45 CA VAL A 5 -13.206 5.386 -5.633 1.00 0.00 C ATOM 46 C VAL A 5 -13.990 4.314 -6.409 1.00 0.00 C ATOM 47 O VAL A 5 -15.048 3.906 -5.955 1.00 0.00 O ATOM 48 CB VAL A 5 -12.210 4.735 -4.521 1.00 0.00 C ATOM 49 CG1 VAL A 5 -11.294 3.534 -5.088 1.00 0.00 C ATOM 50 CG2 VAL A 5 -11.284 5.860 -3.854 1.00 0.00 C ATOM 0 H VAL A 5 -14.827 5.598 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.576 5.980 -6.295 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.863 4.298 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.658 3.153 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.933 2.732 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.671 3.905 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.628 5.400 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.682 6.340 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.912 6.606 -3.367 1.00 0.00 H new ATOM 60 N SER A 6 -13.465 3.950 -7.581 1.00 0.00 N ATOM 61 CA SER A 6 -14.094 2.905 -8.484 1.00 0.00 C ATOM 62 C SER A 6 -13.029 2.298 -9.407 1.00 0.00 C ATOM 63 O SER A 6 -12.140 3.010 -9.846 1.00 0.00 O ATOM 64 CB SER A 6 -15.202 3.545 -9.356 1.00 0.00 C ATOM 65 OG SER A 6 -14.971 3.060 -10.670 1.00 0.00 O ATOM 0 H SER A 6 -12.603 4.348 -7.954 1.00 0.00 H new ATOM 0 HA SER A 6 -14.527 2.126 -7.856 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.193 3.263 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.149 4.633 -9.323 1.00 0.00 H new ATOM 0 HG SER A 6 -15.645 3.429 -11.278 1.00 0.00 H new ATOM 71 N VAL A 7 -13.158 0.971 -9.606 1.00 0.00 N ATOM 72 CA VAL A 7 -12.241 0.116 -10.476 1.00 0.00 C ATOM 73 C VAL A 7 -13.230 -0.632 -11.397 1.00 0.00 C ATOM 74 O VAL A 7 -14.339 -0.909 -10.961 1.00 0.00 O ATOM 75 CB VAL A 7 -11.391 -0.947 -9.583 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.115 -1.538 -10.367 1.00 0.00 C ATOM 77 CG2 VAL A 7 -10.950 -0.345 -8.168 1.00 0.00 C ATOM 0 H VAL A 7 -13.905 0.429 -9.172 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.501 0.710 -11.013 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.074 -1.775 -9.394 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.586 -2.241 -9.723 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.448 -2.052 -11.269 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.446 -0.722 -10.640 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.386 -1.095 -7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.326 0.535 -8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.837 -0.064 -7.600 1.00 0.00 H new ATOM 87 N SER A 8 -12.821 -0.857 -12.656 1.00 0.00 N ATOM 88 CA SER A 8 -13.679 -1.581 -13.686 1.00 0.00 C ATOM 89 C SER A 8 -12.753 -2.118 -14.882 1.00 0.00 C ATOM 90 O SER A 8 -12.196 -1.245 -15.540 1.00 0.00 O ATOM 91 CB SER A 8 -14.669 -0.524 -14.262 1.00 0.00 C ATOM 92 OG SER A 8 -15.058 -1.034 -15.532 1.00 0.00 O ATOM 0 H SER A 8 -11.912 -0.561 -13.011 1.00 0.00 H new ATOM 0 HA SER A 8 -14.200 -2.425 -13.234 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.531 -0.394 -13.608 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.192 0.451 -14.358 1.00 0.00 H new ATOM 0 HG SER A 8 -15.688 -0.414 -15.954 1.00 0.00 H new ATOM 98 N PRO A 9 -12.480 -3.489 -15.160 1.00 0.00 N ATOM 99 CA PRO A 9 -12.896 -4.744 -14.396 1.00 0.00 C ATOM 100 C PRO A 9 -12.297 -4.795 -12.980 1.00 0.00 C ATOM 101 O PRO A 9 -11.250 -4.207 -12.761 1.00 0.00 O ATOM 102 CB PRO A 9 -12.328 -5.926 -15.199 1.00 0.00 C ATOM 103 CG PRO A 9 -11.660 -5.375 -16.466 1.00 0.00 C ATOM 104 CD PRO A 9 -11.701 -3.848 -16.402 1.00 0.00 C ATOM 0 HA PRO A 9 -13.980 -4.765 -14.289 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.605 -6.479 -14.599 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.124 -6.623 -15.462 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.630 -5.725 -16.536 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.179 -5.732 -17.355 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.693 -3.435 -16.360 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.178 -3.436 -17.291 1.00 0.00 H new ATOM 112 N ALA A 10 -13.027 -5.478 -12.074 1.00 0.00 N ATOM 113 CA ALA A 10 -12.629 -5.652 -10.609 1.00 0.00 C ATOM 114 C ALA A 10 -12.855 -7.083 -10.094 1.00 0.00 C ATOM 115 O ALA A 10 -12.529 -7.342 -8.946 1.00 0.00 O ATOM 116 CB ALA A 10 -13.550 -4.735 -9.768 1.00 0.00 C ATOM 0 H ALA A 10 -13.909 -5.933 -12.308 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.569 -5.415 -10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.295 -4.832 -8.713 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.415 -3.699 -10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.589 -5.027 -9.918 1.00 0.00 H new ATOM 122 N THR A 11 -13.426 -7.956 -10.943 1.00 0.00 N ATOM 123 CA THR A 11 -13.716 -9.411 -10.576 1.00 0.00 C ATOM 124 C THR A 11 -13.363 -10.327 -11.755 1.00 0.00 C ATOM 125 O THR A 11 -13.406 -9.897 -12.899 1.00 0.00 O ATOM 126 CB THR A 11 -15.250 -9.619 -10.289 1.00 0.00 C ATOM 127 OG1 THR A 11 -15.902 -9.268 -11.494 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.891 -8.654 -9.248 1.00 0.00 C ATOM 0 H THR A 11 -13.706 -7.709 -11.892 1.00 0.00 H new ATOM 0 HA THR A 11 -13.123 -9.649 -9.693 1.00 0.00 H new ATOM 0 HB THR A 11 -15.354 -10.638 -9.916 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.870 -9.377 -11.386 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.948 -8.893 -9.134 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.387 -8.768 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.786 -7.625 -9.593 1.00 0.00 H new ATOM 136 N GLY A 12 -12.992 -11.565 -11.414 1.00 0.00 N ATOM 137 CA GLY A 12 -12.611 -12.614 -12.441 1.00 0.00 C ATOM 138 C GLY A 12 -11.275 -12.315 -13.131 1.00 0.00 C ATOM 139 O GLY A 12 -11.100 -12.679 -14.284 1.00 0.00 O ATOM 0 H GLY A 12 -12.939 -11.891 -10.449 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.553 -13.588 -11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.396 -12.680 -13.194 1.00 0.00 H new ATOM 143 N LEU A 13 -10.380 -11.691 -12.377 1.00 0.00 N ATOM 144 CA LEU A 13 -9.004 -11.312 -12.882 1.00 0.00 C ATOM 145 C LEU A 13 -8.112 -12.570 -13.010 1.00 0.00 C ATOM 146 O LEU A 13 -8.365 -13.561 -12.340 1.00 0.00 O ATOM 147 CB LEU A 13 -8.320 -10.349 -11.829 1.00 0.00 C ATOM 148 CG LEU A 13 -9.155 -9.025 -11.333 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.230 -8.112 -10.394 1.00 0.00 C ATOM 150 CD2 LEU A 13 -9.775 -8.157 -12.523 1.00 0.00 C ATOM 0 H LEU A 13 -10.552 -11.423 -11.408 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.110 -10.830 -13.854 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.077 -10.940 -10.946 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.376 -10.008 -12.254 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.009 -9.400 -10.769 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.792 -7.236 -10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.918 -8.686 -9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.350 -7.792 -10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.310 -7.302 -12.109 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.973 -7.804 -13.172 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.465 -8.772 -13.100 1.00 0.00 H new ATOM 162 N ALA A 14 -7.111 -12.451 -13.903 1.00 0.00 N ATOM 163 CA ALA A 14 -6.089 -13.526 -14.228 1.00 0.00 C ATOM 164 C ALA A 14 -4.683 -12.910 -14.133 1.00 0.00 C ATOM 165 O ALA A 14 -4.569 -11.763 -13.738 1.00 0.00 O ATOM 166 CB ALA A 14 -6.362 -13.983 -15.678 1.00 0.00 C ATOM 0 H ALA A 14 -6.967 -11.597 -14.442 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.156 -14.369 -13.540 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.648 -14.758 -15.956 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.375 -14.380 -15.750 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.256 -13.134 -16.353 1.00 0.00 H new ATOM 172 N ASP A 15 -3.665 -13.704 -14.465 1.00 0.00 N ATOM 173 CA ASP A 15 -2.225 -13.242 -14.423 1.00 0.00 C ATOM 174 C ASP A 15 -1.923 -12.157 -15.485 1.00 0.00 C ATOM 175 O ASP A 15 -2.234 -12.350 -16.650 1.00 0.00 O ATOM 176 CB ASP A 15 -1.350 -14.479 -14.727 1.00 0.00 C ATOM 177 CG ASP A 15 0.080 -14.058 -15.093 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.747 -13.552 -14.204 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.433 -14.284 -16.242 1.00 0.00 O ATOM 0 H ASP A 15 -3.781 -14.671 -14.768 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.020 -12.807 -13.445 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.329 -15.138 -13.859 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.788 -15.047 -15.548 1.00 0.00 H new ATOM 184 N GLY A 16 -1.350 -11.039 -15.022 1.00 0.00 N ATOM 185 CA GLY A 16 -0.983 -9.875 -15.921 1.00 0.00 C ATOM 186 C GLY A 16 -2.213 -9.122 -16.462 1.00 0.00 C ATOM 187 O GLY A 16 -2.129 -8.539 -17.532 1.00 0.00 O ATOM 0 H GLY A 16 -1.121 -10.891 -14.039 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.353 -9.180 -15.367 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.391 -10.243 -16.759 1.00 0.00 H new ATOM 191 N ALA A 17 -3.298 -9.142 -15.686 1.00 0.00 N ATOM 192 CA ALA A 17 -4.581 -8.451 -16.082 1.00 0.00 C ATOM 193 C ALA A 17 -4.480 -6.918 -15.994 1.00 0.00 C ATOM 194 O ALA A 17 -4.180 -6.392 -14.933 1.00 0.00 O ATOM 195 CB ALA A 17 -5.681 -8.893 -15.108 1.00 0.00 C ATOM 0 H ALA A 17 -3.340 -9.617 -14.784 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.796 -8.722 -17.116 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.619 -8.406 -15.374 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.804 -9.975 -15.165 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.402 -8.613 -14.092 1.00 0.00 H new ATOM 201 N THR A 18 -4.766 -6.262 -17.117 1.00 0.00 N ATOM 202 CA THR A 18 -4.725 -4.761 -17.221 1.00 0.00 C ATOM 203 C THR A 18 -6.034 -4.241 -16.611 1.00 0.00 C ATOM 204 O THR A 18 -7.087 -4.747 -16.974 1.00 0.00 O ATOM 205 CB THR A 18 -4.648 -4.433 -18.753 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.337 -4.817 -19.122 1.00 0.00 O ATOM 207 CG2 THR A 18 -4.695 -2.917 -19.156 1.00 0.00 C ATOM 0 H THR A 18 -5.033 -6.727 -17.985 1.00 0.00 H new ATOM 0 HA THR A 18 -3.881 -4.305 -16.703 1.00 0.00 H new ATOM 0 HB THR A 18 -5.504 -4.923 -19.217 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.203 -4.645 -20.077 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.634 -2.827 -20.241 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.629 -2.477 -18.807 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.855 -2.393 -18.700 1.00 0.00 H new ATOM 215 N VAL A 19 -5.906 -3.295 -15.666 1.00 0.00 N ATOM 216 CA VAL A 19 -7.085 -2.650 -14.937 1.00 0.00 C ATOM 217 C VAL A 19 -6.899 -1.120 -14.928 1.00 0.00 C ATOM 218 O VAL A 19 -5.777 -0.653 -14.796 1.00 0.00 O ATOM 219 CB VAL A 19 -7.249 -3.254 -13.439 1.00 0.00 C ATOM 220 CG1 VAL A 19 -7.538 -4.823 -13.477 1.00 0.00 C ATOM 221 CG2 VAL A 19 -6.011 -2.924 -12.468 1.00 0.00 C ATOM 0 H VAL A 19 -5.000 -2.936 -15.364 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.010 -2.882 -15.465 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.113 -2.746 -13.010 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.643 -5.198 -12.459 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.459 -5.010 -14.029 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.710 -5.334 -13.968 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.193 -3.360 -11.486 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.097 -3.344 -12.888 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.902 -1.844 -12.371 1.00 0.00 H new ATOM 231 N THR A 20 -8.044 -0.419 -15.059 1.00 0.00 N ATOM 232 CA THR A 20 -8.140 1.091 -15.087 1.00 0.00 C ATOM 233 C THR A 20 -8.745 1.623 -13.765 1.00 0.00 C ATOM 234 O THR A 20 -9.954 1.567 -13.585 1.00 0.00 O ATOM 235 CB THR A 20 -9.085 1.387 -16.313 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.275 1.096 -17.434 1.00 0.00 O ATOM 237 CG2 THR A 20 -9.497 2.878 -16.572 1.00 0.00 C ATOM 0 H THR A 20 -8.952 -0.874 -15.151 1.00 0.00 H new ATOM 0 HA THR A 20 -7.170 1.579 -15.186 1.00 0.00 H new ATOM 0 HB THR A 20 -10.002 0.826 -16.131 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.786 1.251 -18.256 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.147 2.929 -17.446 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.027 3.265 -15.702 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.604 3.477 -16.748 1.00 0.00 H new ATOM 245 N VAL A 21 -7.868 2.151 -12.903 1.00 0.00 N ATOM 246 CA VAL A 21 -8.282 2.726 -11.558 1.00 0.00 C ATOM 247 C VAL A 21 -8.822 4.129 -11.892 1.00 0.00 C ATOM 248 O VAL A 21 -8.336 4.734 -12.834 1.00 0.00 O ATOM 249 CB VAL A 21 -6.968 2.775 -10.600 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.091 3.776 -9.342 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.593 1.305 -10.099 1.00 0.00 C ATOM 0 H VAL A 21 -6.866 2.205 -13.085 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.036 2.144 -11.028 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.169 3.180 -11.221 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.170 3.744 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.258 4.792 -9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.928 3.470 -8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.712 1.352 -9.459 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.428 0.888 -9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.382 0.670 -10.960 1.00 0.00 H new ATOM 261 N SER A 22 -9.817 4.556 -11.107 1.00 0.00 N ATOM 262 CA SER A 22 -10.493 5.901 -11.253 1.00 0.00 C ATOM 263 C SER A 22 -10.605 6.543 -9.878 1.00 0.00 C ATOM 264 O SER A 22 -10.474 5.856 -8.875 1.00 0.00 O ATOM 265 CB SER A 22 -11.912 5.682 -11.817 1.00 0.00 C ATOM 266 OG SER A 22 -12.771 5.759 -10.690 1.00 0.00 O ATOM 0 H SER A 22 -10.195 3.996 -10.343 1.00 0.00 H new ATOM 0 HA SER A 22 -9.918 6.542 -11.921 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.164 6.441 -12.558 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.995 4.714 -12.311 1.00 0.00 H new ATOM 0 HG SER A 22 -12.745 4.910 -10.201 1.00 0.00 H new ATOM 272 N ALA A 23 -10.753 7.863 -9.889 1.00 0.00 N ATOM 273 CA ALA A 23 -10.883 8.677 -8.632 1.00 0.00 C ATOM 274 C ALA A 23 -11.513 10.025 -8.966 1.00 0.00 C ATOM 275 O ALA A 23 -11.217 10.572 -10.011 1.00 0.00 O ATOM 276 CB ALA A 23 -9.479 8.927 -8.045 1.00 0.00 C ATOM 0 H ALA A 23 -10.789 8.417 -10.745 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.504 8.140 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.566 9.517 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.005 7.972 -7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.872 9.468 -8.771 1.00 0.00 H new ATOM 282 N SER A 24 -12.380 10.491 -8.066 1.00 0.00 N ATOM 283 CA SER A 24 -13.102 11.807 -8.219 1.00 0.00 C ATOM 284 C SER A 24 -13.705 12.173 -6.860 1.00 0.00 C ATOM 285 O SER A 24 -14.490 11.404 -6.321 1.00 0.00 O ATOM 286 CB SER A 24 -14.270 11.678 -9.214 1.00 0.00 C ATOM 287 OG SER A 24 -13.709 11.949 -10.488 1.00 0.00 O ATOM 0 H SER A 24 -12.617 9.991 -7.209 1.00 0.00 H new ATOM 0 HA SER A 24 -12.397 12.557 -8.578 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.706 10.680 -9.181 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.067 12.382 -8.978 1.00 0.00 H new ATOM 0 HG SER A 24 -12.791 11.608 -10.521 1.00 0.00 H new ATOM 293 N GLY A 25 -13.333 13.338 -6.354 1.00 0.00 N ATOM 294 CA GLY A 25 -13.845 13.825 -5.024 1.00 0.00 C ATOM 295 C GLY A 25 -13.102 15.095 -4.611 1.00 0.00 C ATOM 296 O GLY A 25 -13.505 16.175 -4.971 1.00 0.00 O ATOM 0 H GLY A 25 -12.687 13.978 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.915 14.024 -5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.709 13.052 -4.268 1.00 0.00 H new ATOM 300 N PHE A 26 -11.992 14.893 -3.876 1.00 0.00 N ATOM 301 CA PHE A 26 -11.058 15.985 -3.327 1.00 0.00 C ATOM 302 C PHE A 26 -11.709 17.043 -2.375 1.00 0.00 C ATOM 303 O PHE A 26 -12.873 17.393 -2.477 1.00 0.00 O ATOM 304 CB PHE A 26 -10.137 16.630 -4.456 1.00 0.00 C ATOM 305 CG PHE A 26 -10.204 18.233 -4.553 1.00 0.00 C ATOM 306 CD1 PHE A 26 -11.147 18.893 -5.386 1.00 0.00 C ATOM 307 CD2 PHE A 26 -9.268 19.075 -3.869 1.00 0.00 C ATOM 308 CE1 PHE A 26 -11.140 20.268 -5.517 1.00 0.00 C ATOM 309 CE2 PHE A 26 -9.299 20.445 -4.031 1.00 0.00 C ATOM 310 CZ PHE A 26 -10.225 21.034 -4.847 1.00 0.00 C ATOM 0 H PHE A 26 -11.682 13.955 -3.622 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.401 15.437 -2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.104 16.335 -4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.423 16.210 -5.421 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.880 18.311 -5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.529 18.632 -3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.867 20.745 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.583 21.060 -3.507 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.234 22.108 -4.963 1.00 0.00 H new ATOM 320 N ALA A 27 -10.887 17.488 -1.415 1.00 0.00 N ATOM 321 CA ALA A 27 -11.301 18.512 -0.387 1.00 0.00 C ATOM 322 C ALA A 27 -10.059 19.086 0.285 1.00 0.00 C ATOM 323 O ALA A 27 -10.052 20.267 0.599 1.00 0.00 O ATOM 324 CB ALA A 27 -12.161 17.836 0.700 1.00 0.00 C ATOM 0 H ALA A 27 -9.924 17.167 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.867 19.301 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.459 18.577 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.050 17.402 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.582 17.050 1.185 1.00 0.00 H new ATOM 330 N THR A 28 -9.069 18.201 0.510 1.00 0.00 N ATOM 331 CA THR A 28 -7.738 18.559 1.168 1.00 0.00 C ATOM 332 C THR A 28 -6.579 17.880 0.407 1.00 0.00 C ATOM 333 O THR A 28 -5.496 18.446 0.371 1.00 0.00 O ATOM 334 CB THR A 28 -7.688 18.076 2.661 1.00 0.00 C ATOM 335 OG1 THR A 28 -7.842 16.670 2.613 1.00 0.00 O ATOM 336 CG2 THR A 28 -8.877 18.526 3.560 1.00 0.00 C ATOM 0 H THR A 28 -9.140 17.216 0.253 1.00 0.00 H new ATOM 0 HA THR A 28 -7.640 19.644 1.138 1.00 0.00 H new ATOM 0 HB THR A 28 -6.765 18.481 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.817 16.307 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.739 18.136 4.568 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.916 19.615 3.594 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.810 18.143 3.148 1.00 0.00 H new ATOM 344 N SER A 29 -6.850 16.708 -0.195 1.00 0.00 N ATOM 345 CA SER A 29 -5.798 15.936 -0.980 1.00 0.00 C ATOM 346 C SER A 29 -5.530 16.657 -2.324 1.00 0.00 C ATOM 347 O SER A 29 -6.394 16.656 -3.187 1.00 0.00 O ATOM 348 CB SER A 29 -6.331 14.505 -1.245 1.00 0.00 C ATOM 349 OG SER A 29 -7.714 14.655 -1.545 1.00 0.00 O ATOM 0 H SER A 29 -7.765 16.258 -0.170 1.00 0.00 H new ATOM 0 HA SER A 29 -4.868 15.883 -0.415 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.800 14.037 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.187 13.867 -0.373 1.00 0.00 H new ATOM 0 HG SER A 29 -7.829 15.362 -2.214 1.00 0.00 H new ATOM 355 N THR A 30 -4.336 17.264 -2.434 1.00 0.00 N ATOM 356 CA THR A 30 -3.881 18.031 -3.673 1.00 0.00 C ATOM 357 C THR A 30 -3.107 17.141 -4.677 1.00 0.00 C ATOM 358 O THR A 30 -2.585 17.655 -5.653 1.00 0.00 O ATOM 359 CB THR A 30 -2.904 19.132 -3.131 1.00 0.00 C ATOM 360 OG1 THR A 30 -3.403 19.433 -1.842 1.00 0.00 O ATOM 361 CG2 THR A 30 -2.939 20.523 -3.846 1.00 0.00 C ATOM 0 H THR A 30 -3.641 17.254 -1.687 1.00 0.00 H new ATOM 0 HA THR A 30 -4.746 18.425 -4.207 1.00 0.00 H new ATOM 0 HB THR A 30 -1.897 18.728 -3.241 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.842 20.121 -1.426 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.218 21.192 -3.376 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.685 20.398 -4.899 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.938 20.950 -3.762 1.00 0.00 H new ATOM 369 N SER A 31 -3.082 15.832 -4.409 1.00 0.00 N ATOM 370 CA SER A 31 -2.366 14.810 -5.284 1.00 0.00 C ATOM 371 C SER A 31 -2.932 13.404 -4.984 1.00 0.00 C ATOM 372 O SER A 31 -3.700 13.274 -4.047 1.00 0.00 O ATOM 373 CB SER A 31 -0.840 14.868 -4.923 1.00 0.00 C ATOM 374 OG SER A 31 -0.306 15.858 -5.789 1.00 0.00 O ATOM 0 H SER A 31 -3.542 15.422 -3.596 1.00 0.00 H new ATOM 0 HA SER A 31 -2.511 15.025 -6.343 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.690 15.134 -3.877 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.358 13.903 -5.079 1.00 0.00 H new ATOM 0 HG SER A 31 -0.996 16.526 -5.987 1.00 0.00 H new ATOM 380 N ALA A 32 -2.589 12.429 -5.851 1.00 0.00 N ATOM 381 CA ALA A 32 -3.045 10.989 -5.720 1.00 0.00 C ATOM 382 C ALA A 32 -1.987 10.049 -6.318 1.00 0.00 C ATOM 383 O ALA A 32 -1.323 10.424 -7.272 1.00 0.00 O ATOM 384 CB ALA A 32 -4.351 10.805 -6.506 1.00 0.00 C ATOM 0 H ALA A 32 -1.994 12.594 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.193 10.756 -4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.687 9.772 -6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.115 11.470 -6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.180 11.042 -7.556 1.00 0.00 H new ATOM 390 N THR A 33 -1.856 8.871 -5.681 1.00 0.00 N ATOM 391 CA THR A 33 -0.883 7.766 -6.069 1.00 0.00 C ATOM 392 C THR A 33 -1.646 6.445 -5.831 1.00 0.00 C ATOM 393 O THR A 33 -2.736 6.508 -5.289 1.00 0.00 O ATOM 394 CB THR A 33 0.355 7.899 -5.092 1.00 0.00 C ATOM 395 OG1 THR A 33 0.962 9.140 -5.400 1.00 0.00 O ATOM 396 CG2 THR A 33 1.539 6.895 -5.286 1.00 0.00 C ATOM 0 H THR A 33 -2.420 8.630 -4.866 1.00 0.00 H new ATOM 0 HA THR A 33 -0.531 7.812 -7.099 1.00 0.00 H new ATOM 0 HB THR A 33 -0.063 7.742 -4.098 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.740 9.277 -4.820 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.316 7.102 -4.550 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.177 5.875 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.951 7.007 -6.289 1.00 0.00 H new ATOM 404 N ALA A 34 -1.096 5.311 -6.290 1.00 0.00 N ATOM 405 CA ALA A 34 -1.775 3.956 -6.102 1.00 0.00 C ATOM 406 C ALA A 34 -0.783 2.785 -6.227 1.00 0.00 C ATOM 407 O ALA A 34 -0.050 2.725 -7.203 1.00 0.00 O ATOM 408 CB ALA A 34 -2.829 3.787 -7.210 1.00 0.00 C ATOM 0 H ALA A 34 -0.206 5.271 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.211 3.938 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.327 2.824 -7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.565 4.587 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.342 3.829 -8.184 1.00 0.00 H new ATOM 414 N LEU A 35 -0.757 1.927 -5.171 1.00 0.00 N ATOM 415 CA LEU A 35 0.159 0.694 -5.101 1.00 0.00 C ATOM 416 C LEU A 35 -0.519 -0.408 -4.248 1.00 0.00 C ATOM 417 O LEU A 35 -1.128 -0.094 -3.235 1.00 0.00 O ATOM 418 CB LEU A 35 1.615 0.917 -4.453 1.00 0.00 C ATOM 419 CG LEU A 35 2.016 2.363 -3.803 1.00 0.00 C ATOM 420 CD1 LEU A 35 1.290 2.630 -2.403 1.00 0.00 C ATOM 421 CD2 LEU A 35 3.611 2.512 -3.653 1.00 0.00 C ATOM 0 H LEU A 35 -1.347 2.043 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 35 0.307 0.429 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.739 0.167 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.350 0.696 -5.227 1.00 0.00 H new ATOM 0 HG LEU A 35 1.660 3.123 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.592 3.603 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.209 2.615 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.573 1.854 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.846 3.483 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.991 1.723 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.078 2.431 -4.635 1.00 0.00 H new ATOM 433 N GLN A 36 -0.384 -1.674 -4.707 1.00 0.00 N ATOM 434 CA GLN A 36 -0.972 -2.890 -4.011 1.00 0.00 C ATOM 435 C GLN A 36 0.060 -3.371 -2.988 1.00 0.00 C ATOM 436 O GLN A 36 1.242 -3.164 -3.209 1.00 0.00 O ATOM 437 CB GLN A 36 -1.171 -3.995 -5.131 1.00 0.00 C ATOM 438 CG GLN A 36 -1.968 -5.287 -4.692 1.00 0.00 C ATOM 439 CD GLN A 36 -2.207 -6.178 -5.919 1.00 0.00 C ATOM 440 OE1 GLN A 36 -3.282 -6.210 -6.476 1.00 0.00 O ATOM 441 NE2 GLN A 36 -1.242 -6.937 -6.355 1.00 0.00 N ATOM 0 H GLN A 36 0.127 -1.902 -5.560 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.917 -2.677 -3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.691 -3.540 -5.974 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.189 -4.302 -5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.407 -5.834 -3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.920 -5.005 -4.242 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.332 -6.920 -5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.397 -7.549 -7.156 1.00 0.00 H new ATOM 450 N CYS A 37 -0.440 -3.948 -1.880 1.00 0.00 N ATOM 451 CA CYS A 37 0.424 -4.496 -0.750 1.00 0.00 C ATOM 452 C CYS A 37 -0.224 -5.779 -0.218 1.00 0.00 C ATOM 453 O CYS A 37 -1.439 -5.880 -0.256 1.00 0.00 O ATOM 454 CB CYS A 37 0.547 -3.478 0.424 1.00 0.00 C ATOM 455 SG CYS A 37 1.051 -1.764 0.077 1.00 0.00 S ATOM 0 H CYS A 37 -1.441 -4.060 -1.717 1.00 0.00 H new ATOM 0 HA CYS A 37 1.422 -4.688 -1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.420 -3.439 0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.259 -3.889 1.139 1.00 0.00 H new ATOM 460 N ALA A 38 0.635 -6.697 0.273 1.00 0.00 N ATOM 461 CA ALA A 38 0.206 -8.045 0.845 1.00 0.00 C ATOM 462 C ALA A 38 0.381 -8.102 2.371 1.00 0.00 C ATOM 463 O ALA A 38 1.484 -7.875 2.854 1.00 0.00 O ATOM 464 CB ALA A 38 1.139 -9.104 0.225 1.00 0.00 C ATOM 0 H ALA A 38 1.644 -6.552 0.296 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.847 -8.213 0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.872 -10.091 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.034 -9.091 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.172 -8.880 0.492 1.00 0.00 H new ATOM 470 N ILE A 39 -0.720 -8.426 3.070 1.00 0.00 N ATOM 471 CA ILE A 39 -0.735 -8.532 4.582 1.00 0.00 C ATOM 472 C ILE A 39 -0.052 -9.873 4.930 1.00 0.00 C ATOM 473 O ILE A 39 -0.163 -10.812 4.161 1.00 0.00 O ATOM 474 CB ILE A 39 -2.271 -8.546 5.116 1.00 0.00 C ATOM 475 CG1 ILE A 39 -3.212 -7.374 4.501 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.361 -8.653 6.745 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.701 -5.910 4.680 1.00 0.00 C ATOM 0 H ILE A 39 -1.621 -8.623 2.635 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.221 -7.690 5.045 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.700 -9.465 4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.341 -7.563 3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.198 -7.451 4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.407 -8.659 7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.880 -9.574 7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.856 -7.798 7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.413 -5.218 4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.601 -5.687 5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.732 -5.801 4.194 1.00 0.00 H new ATOM 489 N LEU A 40 0.667 -9.863 6.061 1.00 0.00 N ATOM 490 CA LEU A 40 1.431 -11.061 6.616 1.00 0.00 C ATOM 491 C LEU A 40 0.959 -11.208 8.084 1.00 0.00 C ATOM 492 O LEU A 40 0.053 -10.483 8.471 1.00 0.00 O ATOM 493 CB LEU A 40 3.014 -10.813 6.593 1.00 0.00 C ATOM 494 CG LEU A 40 3.696 -10.254 5.215 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.127 -9.597 5.518 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.820 -11.377 4.079 1.00 0.00 C ATOM 0 H LEU A 40 0.755 -9.031 6.644 1.00 0.00 H new ATOM 0 HA LEU A 40 1.239 -11.951 6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.251 -10.108 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.501 -11.755 6.846 1.00 0.00 H new ATOM 0 HG LEU A 40 3.026 -9.488 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.564 -9.231 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.006 -8.766 6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.785 -10.346 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.280 -10.946 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.437 -12.198 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.828 -11.753 3.829 1.00 0.00 H new ATOM 508 N ALA A 41 1.554 -12.152 8.835 1.00 0.00 N ATOM 509 CA ALA A 41 1.189 -12.401 10.287 1.00 0.00 C ATOM 510 C ALA A 41 1.520 -11.193 11.168 1.00 0.00 C ATOM 511 O ALA A 41 0.657 -10.720 11.893 1.00 0.00 O ATOM 512 CB ALA A 41 2.001 -13.607 10.790 1.00 0.00 C ATOM 0 H ALA A 41 2.290 -12.765 8.484 1.00 0.00 H new ATOM 0 HA ALA A 41 0.116 -12.585 10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.753 -13.803 11.833 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.760 -14.484 10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.066 -13.390 10.705 1.00 0.00 H new ATOM 518 N ASP A 42 2.757 -10.714 11.019 1.00 0.00 N ATOM 519 CA ASP A 42 3.276 -9.510 11.803 1.00 0.00 C ATOM 520 C ASP A 42 2.642 -8.198 11.256 1.00 0.00 C ATOM 521 O ASP A 42 2.554 -7.210 11.973 1.00 0.00 O ATOM 522 CB ASP A 42 4.838 -9.430 11.768 1.00 0.00 C ATOM 523 CG ASP A 42 5.472 -10.226 10.617 1.00 0.00 C ATOM 524 OD1 ASP A 42 5.183 -9.888 9.487 1.00 0.00 O ATOM 525 OD2 ASP A 42 6.219 -11.135 10.943 1.00 0.00 O ATOM 0 H ASP A 42 3.440 -11.114 10.376 1.00 0.00 H new ATOM 0 HA ASP A 42 2.981 -9.634 12.845 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.138 -8.385 11.684 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.233 -9.800 12.714 1.00 0.00 H new ATOM 530 N GLY A 43 2.206 -8.250 9.994 1.00 0.00 N ATOM 531 CA GLY A 43 1.554 -7.085 9.292 1.00 0.00 C ATOM 532 C GLY A 43 2.465 -5.917 8.873 1.00 0.00 C ATOM 533 O GLY A 43 1.968 -4.798 8.875 1.00 0.00 O ATOM 0 H GLY A 43 2.283 -9.085 9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.058 -7.464 8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.776 -6.689 9.945 1.00 0.00 H new ATOM 537 N ARG A 44 3.736 -6.187 8.510 1.00 0.00 N ATOM 538 CA ARG A 44 4.685 -5.078 8.073 1.00 0.00 C ATOM 539 C ARG A 44 4.285 -4.675 6.644 1.00 0.00 C ATOM 540 O ARG A 44 3.775 -5.509 5.908 1.00 0.00 O ATOM 541 CB ARG A 44 6.166 -5.580 8.015 1.00 0.00 C ATOM 542 CG ARG A 44 6.654 -6.252 9.360 1.00 0.00 C ATOM 543 CD ARG A 44 8.199 -6.197 9.573 1.00 0.00 C ATOM 544 NE ARG A 44 8.618 -4.827 10.004 1.00 0.00 N ATOM 545 CZ ARG A 44 9.731 -4.676 10.670 1.00 0.00 C ATOM 546 NH1 ARG A 44 10.866 -4.816 10.042 1.00 0.00 N ATOM 547 NH2 ARG A 44 9.670 -4.387 11.942 1.00 0.00 N ATOM 0 H ARG A 44 4.143 -7.122 8.501 1.00 0.00 H new ATOM 0 HA ARG A 44 4.619 -4.255 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.267 -6.298 7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.818 -4.739 7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.164 -5.758 10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.333 -7.294 9.371 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.495 -6.928 10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.710 -6.466 8.648 1.00 0.00 H new ATOM 0 HE ARG A 44 8.039 -4.018 9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.874 -5.040 9.047 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.745 -4.702 10.546 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.764 -4.283 12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.529 -4.265 12.479 1.00 0.00 H new ATOM 561 N GLY A 45 4.518 -3.415 6.309 1.00 0.00 N ATOM 562 CA GLY A 45 4.178 -2.863 4.944 1.00 0.00 C ATOM 563 C GLY A 45 5.087 -3.396 3.823 1.00 0.00 C ATOM 564 O GLY A 45 6.089 -2.762 3.536 1.00 0.00 O ATOM 0 H GLY A 45 4.939 -2.733 6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.142 -3.109 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.249 -1.776 4.972 1.00 0.00 H new ATOM 568 N ALA A 46 4.675 -4.528 3.224 1.00 0.00 N ATOM 569 CA ALA A 46 5.426 -5.208 2.097 1.00 0.00 C ATOM 570 C ALA A 46 4.706 -4.836 0.795 1.00 0.00 C ATOM 571 O ALA A 46 3.688 -5.431 0.479 1.00 0.00 O ATOM 572 CB ALA A 46 5.388 -6.736 2.357 1.00 0.00 C ATOM 0 H ALA A 46 3.818 -5.013 3.490 1.00 0.00 H new ATOM 0 HA ALA A 46 6.469 -4.898 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.922 -7.254 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.863 -6.954 3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.352 -7.075 2.380 1.00 0.00 H new ATOM 578 N CYS A 47 5.235 -3.776 0.127 1.00 0.00 N ATOM 579 CA CYS A 47 4.664 -3.237 -1.185 1.00 0.00 C ATOM 580 C CYS A 47 5.773 -3.018 -2.226 1.00 0.00 C ATOM 581 O CYS A 47 6.842 -2.528 -1.887 1.00 0.00 O ATOM 582 CB CYS A 47 3.940 -1.871 -0.904 1.00 0.00 C ATOM 583 SG CYS A 47 2.988 -1.670 0.635 1.00 0.00 S ATOM 0 H CYS A 47 6.054 -3.264 0.456 1.00 0.00 H new ATOM 0 HA CYS A 47 3.961 -3.968 -1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.698 -1.088 -0.926 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.262 -1.682 -1.736 1.00 0.00 H new ATOM 588 N ASN A 48 5.467 -3.410 -3.476 1.00 0.00 N ATOM 589 CA ASN A 48 6.434 -3.271 -4.626 1.00 0.00 C ATOM 590 C ASN A 48 6.433 -1.805 -5.128 1.00 0.00 C ATOM 591 O ASN A 48 5.411 -1.308 -5.579 1.00 0.00 O ATOM 592 CB ASN A 48 5.973 -4.244 -5.737 1.00 0.00 C ATOM 593 CG ASN A 48 6.807 -4.033 -7.007 1.00 0.00 C ATOM 594 OD1 ASN A 48 6.364 -3.436 -7.963 1.00 0.00 O ATOM 595 ND2 ASN A 48 8.016 -4.524 -7.065 1.00 0.00 N ATOM 0 H ASN A 48 4.571 -3.824 -3.734 1.00 0.00 H new ATOM 0 HA ASN A 48 7.452 -3.515 -4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.074 -5.274 -5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.917 -4.083 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.576 -4.403 -7.909 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.400 -5.029 -6.266 1.00 0.00 H new ATOM 602 N VAL A 49 7.594 -1.164 -5.018 1.00 0.00 N ATOM 603 CA VAL A 49 7.800 0.286 -5.448 1.00 0.00 C ATOM 604 C VAL A 49 7.669 0.571 -6.983 1.00 0.00 C ATOM 605 O VAL A 49 7.375 1.688 -7.337 1.00 0.00 O ATOM 606 CB VAL A 49 9.260 0.778 -4.927 1.00 0.00 C ATOM 607 CG1 VAL A 49 9.221 1.214 -3.389 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.428 -0.292 -5.200 1.00 0.00 C ATOM 0 H VAL A 49 8.434 -1.599 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 49 6.983 0.846 -4.994 1.00 0.00 H new ATOM 0 HB VAL A 49 9.507 1.657 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.214 1.536 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.516 2.036 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.906 0.368 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.375 0.100 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.194 -1.225 -4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.508 -0.478 -6.271 1.00 0.00 H new ATOM 618 N ALA A 50 7.828 -0.443 -7.823 1.00 0.00 N ATOM 619 CA ALA A 50 7.730 -0.260 -9.343 1.00 0.00 C ATOM 620 C ALA A 50 6.341 0.091 -9.953 1.00 0.00 C ATOM 621 O ALA A 50 6.329 0.601 -11.062 1.00 0.00 O ATOM 622 CB ALA A 50 8.171 -1.577 -10.009 1.00 0.00 C ATOM 0 H ALA A 50 8.023 -1.400 -7.527 1.00 0.00 H new ATOM 0 HA ALA A 50 8.359 0.609 -9.536 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.111 -1.475 -11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.198 -1.804 -9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.517 -2.386 -9.684 1.00 0.00 H new ATOM 628 N GLU A 51 5.237 -0.123 -9.217 1.00 0.00 N ATOM 629 CA GLU A 51 3.813 0.185 -9.745 1.00 0.00 C ATOM 630 C GLU A 51 3.384 1.672 -9.595 1.00 0.00 C ATOM 631 O GLU A 51 2.277 2.018 -9.989 1.00 0.00 O ATOM 632 CB GLU A 51 2.751 -0.680 -8.964 1.00 0.00 C ATOM 633 CG GLU A 51 3.172 -2.151 -8.716 1.00 0.00 C ATOM 634 CD GLU A 51 1.904 -2.990 -8.565 1.00 0.00 C ATOM 635 OE1 GLU A 51 1.251 -2.810 -7.552 1.00 0.00 O ATOM 636 OE2 GLU A 51 1.662 -3.766 -9.474 1.00 0.00 O ATOM 0 H GLU A 51 5.256 -0.499 -8.269 1.00 0.00 H new ATOM 0 HA GLU A 51 3.848 -0.053 -10.808 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.552 -0.206 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.815 -0.673 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.775 -2.519 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.786 -2.225 -7.818 1.00 0.00 H new ATOM 643 N PHE A 52 4.277 2.512 -9.082 1.00 0.00 N ATOM 644 CA PHE A 52 3.980 3.999 -8.878 1.00 0.00 C ATOM 645 C PHE A 52 3.803 4.818 -10.178 1.00 0.00 C ATOM 646 O PHE A 52 4.118 4.342 -11.260 1.00 0.00 O ATOM 647 CB PHE A 52 5.145 4.619 -8.042 1.00 0.00 C ATOM 648 CG PHE A 52 6.344 5.218 -8.932 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.234 4.366 -9.639 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.630 6.617 -8.991 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.314 4.877 -10.327 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.722 7.085 -9.694 1.00 0.00 C ATOM 653 CZ PHE A 52 8.556 6.223 -10.355 1.00 0.00 C ATOM 0 H PHE A 52 5.213 2.231 -8.791 1.00 0.00 H new ATOM 0 HA PHE A 52 3.019 4.052 -8.367 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.743 5.412 -7.411 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.547 3.855 -7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.062 3.300 -9.638 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.985 7.316 -8.480 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.978 4.205 -10.851 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.921 8.146 -9.723 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.406 6.607 -10.899 1.00 0.00 H new ATOM 663 N HIS A 53 3.288 6.032 -9.974 1.00 0.00 N ATOM 664 CA HIS A 53 3.016 7.040 -11.066 1.00 0.00 C ATOM 665 C HIS A 53 3.266 8.432 -10.473 1.00 0.00 C ATOM 666 O HIS A 53 4.178 9.103 -10.916 1.00 0.00 O ATOM 667 CB HIS A 53 1.542 6.912 -11.534 1.00 0.00 C ATOM 668 CG HIS A 53 1.451 5.901 -12.692 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.608 6.213 -13.924 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.179 4.540 -12.683 1.00 0.00 C ATOM 671 CE1 HIS A 53 1.452 5.154 -14.642 1.00 0.00 C ATOM 672 NE2 HIS A 53 1.183 4.075 -13.931 1.00 0.00 N ATOM 0 H HIS A 53 3.037 6.371 -9.046 1.00 0.00 H new ATOM 0 HA HIS A 53 3.663 6.872 -11.927 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.914 6.587 -10.705 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.167 7.883 -11.856 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.993 3.948 -11.799 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.533 5.150 -15.719 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.019 3.122 -14.256 1.00 0.00 H new ATOM 679 N ASP A 54 2.495 8.752 -9.418 1.00 0.00 N ATOM 680 CA ASP A 54 2.542 10.068 -8.643 1.00 0.00 C ATOM 681 C ASP A 54 2.597 11.373 -9.504 1.00 0.00 C ATOM 682 O ASP A 54 3.664 11.783 -9.944 1.00 0.00 O ATOM 683 CB ASP A 54 3.713 10.021 -7.597 1.00 0.00 C ATOM 684 CG ASP A 54 3.715 11.290 -6.725 1.00 0.00 C ATOM 685 OD1 ASP A 54 2.909 11.328 -5.809 1.00 0.00 O ATOM 686 OD2 ASP A 54 4.545 12.140 -7.011 1.00 0.00 O ATOM 0 H ASP A 54 1.796 8.108 -9.048 1.00 0.00 H new ATOM 0 HA ASP A 54 1.578 10.141 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.607 9.139 -6.965 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.667 9.929 -8.116 1.00 0.00 H new ATOM 691 N PHE A 55 1.407 11.947 -9.764 1.00 0.00 N ATOM 692 CA PHE A 55 1.242 13.228 -10.581 1.00 0.00 C ATOM 693 C PHE A 55 0.009 13.987 -10.063 1.00 0.00 C ATOM 694 O PHE A 55 -0.915 13.372 -9.550 1.00 0.00 O ATOM 695 CB PHE A 55 1.144 12.947 -12.135 1.00 0.00 C ATOM 696 CG PHE A 55 -0.317 12.557 -12.637 1.00 0.00 C ATOM 697 CD1 PHE A 55 -0.901 11.318 -12.284 1.00 0.00 C ATOM 698 CD2 PHE A 55 -1.069 13.388 -13.514 1.00 0.00 C ATOM 699 CE1 PHE A 55 -2.137 10.951 -12.775 1.00 0.00 C ATOM 700 CE2 PHE A 55 -2.299 12.985 -13.984 1.00 0.00 C ATOM 701 CZ PHE A 55 -2.827 11.778 -13.618 1.00 0.00 C ATOM 0 H PHE A 55 0.523 11.563 -9.430 1.00 0.00 H new ATOM 0 HA PHE A 55 2.132 13.843 -10.451 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.477 13.833 -12.675 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.831 12.141 -12.391 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.372 10.650 -11.621 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.670 14.346 -13.814 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.564 10.001 -12.491 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.853 13.630 -14.650 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.793 11.476 -13.996 1.00 0.00 H new ATOM 711 N SER A 56 0.068 15.315 -10.187 1.00 0.00 N ATOM 712 CA SER A 56 -1.046 16.234 -9.725 1.00 0.00 C ATOM 713 C SER A 56 -2.359 16.087 -10.496 1.00 0.00 C ATOM 714 O SER A 56 -2.360 15.636 -11.621 1.00 0.00 O ATOM 715 CB SER A 56 -0.571 17.683 -9.914 1.00 0.00 C ATOM 716 OG SER A 56 -1.199 18.391 -8.856 1.00 0.00 O ATOM 0 H SER A 56 0.862 15.805 -10.599 1.00 0.00 H new ATOM 0 HA SER A 56 -1.252 15.966 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.515 17.758 -9.855 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.865 18.076 -10.887 1.00 0.00 H new ATOM 0 HG SER A 56 -0.946 19.337 -8.900 1.00 0.00 H new ATOM 722 N LEU A 57 -3.425 16.571 -9.863 1.00 0.00 N ATOM 723 CA LEU A 57 -4.820 16.522 -10.457 1.00 0.00 C ATOM 724 C LEU A 57 -4.980 17.654 -11.484 1.00 0.00 C ATOM 725 O LEU A 57 -4.350 18.699 -11.362 1.00 0.00 O ATOM 726 CB LEU A 57 -5.902 16.774 -9.323 1.00 0.00 C ATOM 727 CG LEU A 57 -5.768 15.918 -7.938 1.00 0.00 C ATOM 728 CD1 LEU A 57 -7.029 16.173 -6.984 1.00 0.00 C ATOM 729 CD2 LEU A 57 -5.548 14.348 -8.158 1.00 0.00 C ATOM 0 H LEU A 57 -3.382 17.006 -8.941 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.961 15.544 -10.918 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.877 17.833 -9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.885 16.572 -9.748 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.862 16.286 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.916 15.592 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.089 17.233 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.941 15.868 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.469 13.853 -7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.394 13.936 -8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.632 14.185 -8.725 1.00 0.00 H new ATOM 741 N SER A 58 -5.824 17.379 -12.484 1.00 0.00 N ATOM 742 CA SER A 58 -6.127 18.352 -13.598 1.00 0.00 C ATOM 743 C SER A 58 -7.075 19.466 -13.151 1.00 0.00 C ATOM 744 O SER A 58 -7.083 20.537 -13.736 1.00 0.00 O ATOM 745 CB SER A 58 -6.812 17.556 -14.722 1.00 0.00 C ATOM 746 OG SER A 58 -6.837 18.455 -15.821 1.00 0.00 O ATOM 0 H SER A 58 -6.323 16.493 -12.566 1.00 0.00 H new ATOM 0 HA SER A 58 -5.196 18.819 -13.920 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.258 16.649 -14.962 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.818 17.249 -14.436 1.00 0.00 H new ATOM 0 HG SER A 58 -7.262 18.020 -16.590 1.00 0.00 H new ATOM 752 N GLY A 59 -7.845 19.160 -12.128 1.00 0.00 N ATOM 753 CA GLY A 59 -8.837 20.124 -11.551 1.00 0.00 C ATOM 754 C GLY A 59 -9.537 19.481 -10.350 1.00 0.00 C ATOM 755 O GLY A 59 -9.917 20.188 -9.428 1.00 0.00 O ATOM 0 H GLY A 59 -7.824 18.255 -11.658 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.333 21.040 -11.244 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.571 20.402 -12.307 1.00 0.00 H new ATOM 759 N GLY A 60 -9.680 18.155 -10.406 1.00 0.00 N ATOM 760 CA GLY A 60 -10.352 17.387 -9.290 1.00 0.00 C ATOM 761 C GLY A 60 -10.431 15.869 -9.565 1.00 0.00 C ATOM 762 O GLY A 60 -11.036 15.180 -8.761 1.00 0.00 O ATOM 0 H GLY A 60 -9.357 17.578 -11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.807 17.555 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.359 17.777 -9.143 1.00 0.00 H new ATOM 766 N GLU A 61 -9.841 15.410 -10.695 1.00 0.00 N ATOM 767 CA GLU A 61 -9.826 13.938 -11.124 1.00 0.00 C ATOM 768 C GLU A 61 -8.380 13.579 -11.490 1.00 0.00 C ATOM 769 O GLU A 61 -7.582 14.479 -11.657 1.00 0.00 O ATOM 770 CB GLU A 61 -10.680 13.716 -12.430 1.00 0.00 C ATOM 771 CG GLU A 61 -12.096 14.373 -12.440 1.00 0.00 C ATOM 772 CD GLU A 61 -12.072 15.758 -13.115 1.00 0.00 C ATOM 773 OE1 GLU A 61 -12.228 15.774 -14.328 1.00 0.00 O ATOM 774 OE2 GLU A 61 -11.930 16.721 -12.381 1.00 0.00 O ATOM 0 H GLU A 61 -9.357 16.024 -11.350 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.229 13.334 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.116 14.102 -13.279 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.797 12.644 -12.586 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.796 13.723 -12.965 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.459 14.472 -11.417 1.00 0.00 H new ATOM 781 N GLY A 62 -8.084 12.280 -11.599 1.00 0.00 N ATOM 782 CA GLY A 62 -6.688 11.815 -11.956 1.00 0.00 C ATOM 783 C GLY A 62 -6.648 10.296 -12.183 1.00 0.00 C ATOM 784 O GLY A 62 -6.191 9.558 -11.326 1.00 0.00 O ATOM 0 H GLY A 62 -8.757 11.527 -11.454 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.350 12.329 -12.856 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.997 12.084 -11.157 1.00 0.00 H new ATOM 788 N THR A 63 -7.092 9.908 -13.373 1.00 0.00 N ATOM 789 CA THR A 63 -7.141 8.457 -13.813 1.00 0.00 C ATOM 790 C THR A 63 -5.721 7.965 -14.155 1.00 0.00 C ATOM 791 O THR A 63 -4.865 8.785 -14.449 1.00 0.00 O ATOM 792 CB THR A 63 -8.005 8.443 -15.120 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.041 9.375 -14.873 1.00 0.00 O ATOM 794 CG2 THR A 63 -8.790 7.130 -15.425 1.00 0.00 C ATOM 0 H THR A 63 -7.433 10.560 -14.079 1.00 0.00 H new ATOM 0 HA THR A 63 -7.551 7.817 -13.032 1.00 0.00 H new ATOM 0 HB THR A 63 -7.313 8.619 -15.943 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.630 9.425 -15.655 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.348 7.247 -16.354 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.089 6.302 -15.525 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.483 6.923 -14.610 1.00 0.00 H new ATOM 802 N THR A 64 -5.511 6.638 -14.068 1.00 0.00 N ATOM 803 CA THR A 64 -4.155 6.017 -14.383 1.00 0.00 C ATOM 804 C THR A 64 -4.234 4.489 -14.658 1.00 0.00 C ATOM 805 O THR A 64 -4.902 3.770 -13.932 1.00 0.00 O ATOM 806 CB THR A 64 -3.122 6.294 -13.234 1.00 0.00 C ATOM 807 OG1 THR A 64 -2.208 5.217 -13.292 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.662 6.213 -11.769 1.00 0.00 C ATOM 0 H THR A 64 -6.227 5.966 -13.791 1.00 0.00 H new ATOM 0 HA THR A 64 -3.815 6.498 -15.300 1.00 0.00 H new ATOM 0 HB THR A 64 -2.757 7.307 -13.402 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.527 5.328 -12.596 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.852 6.424 -11.071 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.458 6.945 -11.634 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.053 5.213 -11.580 1.00 0.00 H new ATOM 816 N SER A 65 -3.519 4.063 -15.717 1.00 0.00 N ATOM 817 CA SER A 65 -3.456 2.615 -16.157 1.00 0.00 C ATOM 818 C SER A 65 -2.376 1.860 -15.351 1.00 0.00 C ATOM 819 O SER A 65 -1.204 2.201 -15.459 1.00 0.00 O ATOM 820 CB SER A 65 -3.065 2.609 -17.653 1.00 0.00 C ATOM 821 OG SER A 65 -2.562 1.300 -17.889 1.00 0.00 O ATOM 0 H SER A 65 -2.966 4.690 -16.301 1.00 0.00 H new ATOM 0 HA SER A 65 -4.416 2.126 -15.993 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.925 2.823 -18.288 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.312 3.367 -17.869 1.00 0.00 H new ATOM 0 HG SER A 65 -2.292 1.218 -18.827 1.00 0.00 H new ATOM 827 N VAL A 66 -2.832 0.889 -14.530 1.00 0.00 N ATOM 828 CA VAL A 66 -1.943 0.014 -13.637 1.00 0.00 C ATOM 829 C VAL A 66 -2.028 -1.426 -14.208 1.00 0.00 C ATOM 830 O VAL A 66 -3.044 -1.780 -14.785 1.00 0.00 O ATOM 831 CB VAL A 66 -2.528 0.131 -12.119 1.00 0.00 C ATOM 832 CG1 VAL A 66 -2.080 -1.058 -11.128 1.00 0.00 C ATOM 833 CG2 VAL A 66 -2.158 1.554 -11.473 1.00 0.00 C ATOM 0 H VAL A 66 -3.824 0.666 -14.446 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.896 0.316 -13.616 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.608 0.036 -12.227 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.517 -0.895 -10.143 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.426 -2.012 -11.525 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.993 -1.072 -11.045 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.558 1.609 -10.461 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.074 1.669 -11.441 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.590 2.351 -12.078 1.00 0.00 H new ATOM 843 N VAL A 67 -0.916 -2.166 -14.027 1.00 0.00 N ATOM 844 CA VAL A 67 -0.725 -3.613 -14.481 1.00 0.00 C ATOM 845 C VAL A 67 -0.340 -4.326 -13.164 1.00 0.00 C ATOM 846 O VAL A 67 0.373 -3.721 -12.372 1.00 0.00 O ATOM 847 CB VAL A 67 0.464 -3.751 -15.580 1.00 0.00 C ATOM 848 CG1 VAL A 67 0.406 -5.149 -16.371 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.460 -2.525 -16.601 1.00 0.00 C ATOM 0 H VAL A 67 -0.092 -1.793 -13.555 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.608 -4.026 -14.968 1.00 0.00 H new ATOM 0 HB VAL A 67 1.402 -3.731 -15.025 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.221 -5.192 -17.094 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.505 -5.972 -15.663 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.547 -5.232 -16.894 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.268 -2.649 -17.322 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.494 -2.493 -17.127 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.604 -1.594 -16.052 1.00 0.00 H new ATOM 859 N VAL A 68 -0.868 -5.554 -12.966 1.00 0.00 N ATOM 860 CA VAL A 68 -0.589 -6.394 -11.708 1.00 0.00 C ATOM 861 C VAL A 68 -0.409 -7.911 -12.030 1.00 0.00 C ATOM 862 O VAL A 68 -1.272 -8.527 -12.630 1.00 0.00 O ATOM 863 CB VAL A 68 -1.779 -6.248 -10.622 1.00 0.00 C ATOM 864 CG1 VAL A 68 -1.491 -5.099 -9.547 1.00 0.00 C ATOM 865 CG2 VAL A 68 -3.227 -6.073 -11.282 1.00 0.00 C ATOM 0 H VAL A 68 -1.488 -6.010 -13.635 1.00 0.00 H new ATOM 0 HA VAL A 68 0.343 -6.004 -11.298 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.793 -7.200 -10.091 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.321 -5.044 -8.842 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.572 -5.327 -9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.384 -4.142 -10.057 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.976 -5.981 -10.496 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.239 -5.176 -11.901 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.453 -6.943 -11.899 1.00 0.00 H new ATOM 875 N ARG A 69 0.738 -8.438 -11.584 1.00 0.00 N ATOM 876 CA ARG A 69 1.150 -9.893 -11.766 1.00 0.00 C ATOM 877 C ARG A 69 0.629 -10.684 -10.550 1.00 0.00 C ATOM 878 O ARG A 69 0.344 -10.075 -9.531 1.00 0.00 O ATOM 879 CB ARG A 69 2.728 -9.944 -11.777 1.00 0.00 C ATOM 880 CG ARG A 69 3.399 -9.417 -13.123 1.00 0.00 C ATOM 881 CD ARG A 69 3.688 -10.519 -14.195 1.00 0.00 C ATOM 882 NE ARG A 69 3.983 -9.835 -15.486 1.00 0.00 N ATOM 883 CZ ARG A 69 4.563 -10.505 -16.445 1.00 0.00 C ATOM 884 NH1 ARG A 69 3.838 -11.283 -17.201 1.00 0.00 N ATOM 885 NH2 ARG A 69 5.849 -10.371 -16.618 1.00 0.00 N ATOM 0 H ARG A 69 1.432 -7.888 -11.079 1.00 0.00 H new ATOM 0 HA ARG A 69 0.750 -10.313 -12.689 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.103 -9.351 -10.943 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.046 -10.972 -11.606 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.747 -8.664 -13.565 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.336 -8.920 -12.873 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.532 -11.137 -13.889 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.829 -11.182 -14.302 1.00 0.00 H new ATOM 0 HE ARG A 69 3.735 -8.855 -15.619 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.834 -11.361 -17.038 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.275 -11.813 -17.955 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.384 -9.751 -16.009 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.320 -10.886 -17.362 1.00 0.00 H new ATOM 899 N ARG A 70 0.509 -12.014 -10.706 1.00 0.00 N ATOM 900 CA ARG A 70 0.012 -12.938 -9.609 1.00 0.00 C ATOM 901 C ARG A 70 0.997 -12.998 -8.410 1.00 0.00 C ATOM 902 O ARG A 70 0.543 -13.174 -7.290 1.00 0.00 O ATOM 903 CB ARG A 70 -0.128 -14.352 -10.293 1.00 0.00 C ATOM 904 CG ARG A 70 -0.651 -15.543 -9.345 1.00 0.00 C ATOM 905 CD ARG A 70 -1.323 -16.709 -10.132 1.00 0.00 C ATOM 906 NE ARG A 70 -1.453 -17.867 -9.202 1.00 0.00 N ATOM 907 CZ ARG A 70 -1.585 -19.069 -9.691 1.00 0.00 C ATOM 908 NH1 ARG A 70 -2.729 -19.414 -10.218 1.00 0.00 N ATOM 909 NH2 ARG A 70 -0.570 -19.886 -9.637 1.00 0.00 N ATOM 0 H ARG A 70 0.744 -12.497 -11.573 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.932 -12.585 -9.193 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.811 -14.260 -11.138 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.843 -14.636 -10.698 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.188 -15.937 -8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.365 -15.140 -8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.302 -16.405 -10.504 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.722 -16.981 -11.000 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.439 -17.721 -8.193 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.501 -18.748 -10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.851 -20.350 -10.605 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.308 -19.581 -9.217 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.654 -20.830 -10.014 1.00 0.00 H new ATOM 923 N SER A 71 2.297 -12.873 -8.723 1.00 0.00 N ATOM 924 CA SER A 71 3.435 -12.903 -7.703 1.00 0.00 C ATOM 925 C SER A 71 4.357 -11.709 -7.924 1.00 0.00 C ATOM 926 O SER A 71 4.467 -11.251 -9.046 1.00 0.00 O ATOM 927 CB SER A 71 4.249 -14.185 -7.933 1.00 0.00 C ATOM 928 OG SER A 71 3.678 -14.755 -9.102 1.00 0.00 O ATOM 0 H SER A 71 2.621 -12.747 -9.682 1.00 0.00 H new ATOM 0 HA SER A 71 3.026 -12.869 -6.693 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.307 -13.965 -8.073 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.174 -14.862 -7.082 1.00 0.00 H new ATOM 0 HG SER A 71 4.147 -15.587 -9.323 1.00 0.00 H new ATOM 934 N PHE A 72 4.958 -11.209 -6.831 1.00 0.00 N ATOM 935 CA PHE A 72 5.902 -10.015 -6.908 1.00 0.00 C ATOM 936 C PHE A 72 6.867 -9.972 -5.721 1.00 0.00 C ATOM 937 O PHE A 72 6.506 -10.368 -4.621 1.00 0.00 O ATOM 938 CB PHE A 72 5.075 -8.671 -6.964 1.00 0.00 C ATOM 939 CG PHE A 72 3.795 -8.681 -5.987 1.00 0.00 C ATOM 940 CD1 PHE A 72 3.899 -8.332 -4.607 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.491 -9.042 -6.444 1.00 0.00 C ATOM 942 CE1 PHE A 72 2.793 -8.358 -3.783 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.417 -9.056 -5.581 1.00 0.00 C ATOM 944 CZ PHE A 72 1.565 -8.716 -4.266 1.00 0.00 C ATOM 0 H PHE A 72 4.830 -11.583 -5.891 1.00 0.00 H new ATOM 0 HA PHE A 72 6.492 -10.125 -7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.725 -7.839 -6.694 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.743 -8.497 -7.988 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.858 -8.043 -4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.345 -9.308 -7.481 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.899 -8.092 -2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.443 -9.340 -5.950 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.710 -8.730 -3.606 1.00 0.00 H new ATOM 954 N THR A 73 8.083 -9.501 -6.022 1.00 0.00 N ATOM 955 CA THR A 73 9.190 -9.366 -5.019 1.00 0.00 C ATOM 956 C THR A 73 8.847 -8.223 -4.042 1.00 0.00 C ATOM 957 O THR A 73 8.927 -7.060 -4.415 1.00 0.00 O ATOM 958 CB THR A 73 10.474 -9.049 -5.868 1.00 0.00 C ATOM 959 OG1 THR A 73 10.798 -10.291 -6.461 1.00 0.00 O ATOM 960 CG2 THR A 73 11.788 -8.694 -5.084 1.00 0.00 C ATOM 0 H THR A 73 8.345 -9.199 -6.960 1.00 0.00 H new ATOM 0 HA THR A 73 9.341 -10.261 -4.415 1.00 0.00 H new ATOM 0 HB THR A 73 10.224 -8.190 -6.491 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.597 -10.189 -7.019 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.593 -8.499 -5.793 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.619 -7.807 -4.473 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.065 -9.530 -4.441 1.00 0.00 H new ATOM 968 N GLY A 74 8.469 -8.612 -2.823 1.00 0.00 N ATOM 969 CA GLY A 74 8.096 -7.623 -1.739 1.00 0.00 C ATOM 970 C GLY A 74 9.339 -6.870 -1.238 1.00 0.00 C ATOM 971 O GLY A 74 10.433 -7.409 -1.323 1.00 0.00 O ATOM 0 H GLY A 74 8.405 -9.589 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.365 -6.912 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.623 -8.147 -0.909 1.00 0.00 H new ATOM 975 N TYR A 75 9.107 -5.633 -0.770 1.00 0.00 N ATOM 976 CA TYR A 75 10.188 -4.721 -0.229 1.00 0.00 C ATOM 977 C TYR A 75 9.647 -3.981 1.011 1.00 0.00 C ATOM 978 O TYR A 75 8.644 -3.281 0.914 1.00 0.00 O ATOM 979 CB TYR A 75 10.541 -3.712 -1.370 1.00 0.00 C ATOM 980 CG TYR A 75 11.552 -2.566 -0.891 1.00 0.00 C ATOM 981 CD1 TYR A 75 12.942 -2.819 -0.782 1.00 0.00 C ATOM 982 CD2 TYR A 75 11.131 -1.230 -0.630 1.00 0.00 C ATOM 983 CE1 TYR A 75 13.823 -1.810 -0.452 1.00 0.00 C ATOM 984 CE2 TYR A 75 12.047 -0.252 -0.302 1.00 0.00 C ATOM 985 CZ TYR A 75 13.387 -0.532 -0.211 1.00 0.00 C ATOM 986 OH TYR A 75 14.286 0.461 0.121 1.00 0.00 O ATOM 0 H TYR A 75 8.176 -5.216 -0.746 1.00 0.00 H new ATOM 0 HA TYR A 75 11.077 -5.275 0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.983 -4.255 -2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.624 -3.251 -1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.317 -3.816 -0.960 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.082 -0.980 -0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 75 14.878 -2.031 -0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 75 11.702 0.754 -0.113 1.00 0.00 H new ATOM 0 HH TYR A 75 13.806 1.305 0.257 1.00 0.00 H new ATOM 996 N VAL A 76 10.346 -4.180 2.140 1.00 0.00 N ATOM 997 CA VAL A 76 9.978 -3.543 3.475 1.00 0.00 C ATOM 998 C VAL A 76 10.333 -2.027 3.350 1.00 0.00 C ATOM 999 O VAL A 76 11.289 -1.693 2.670 1.00 0.00 O ATOM 1000 CB VAL A 76 10.787 -4.211 4.715 1.00 0.00 C ATOM 1001 CG1 VAL A 76 9.959 -4.123 6.095 1.00 0.00 C ATOM 1002 CG2 VAL A 76 11.249 -5.716 4.442 1.00 0.00 C ATOM 0 H VAL A 76 11.175 -4.773 2.185 1.00 0.00 H new ATOM 0 HA VAL A 76 8.920 -3.698 3.686 1.00 0.00 H new ATOM 0 HB VAL A 76 11.694 -3.614 4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.538 -4.582 6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.767 -3.078 6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.011 -4.650 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.783 -6.096 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.373 -6.337 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.907 -5.743 3.573 1.00 0.00 H new ATOM 1012 N MET A 77 9.545 -1.177 4.015 1.00 0.00 N ATOM 1013 CA MET A 77 9.741 0.347 3.994 1.00 0.00 C ATOM 1014 C MET A 77 11.134 1.000 4.388 1.00 0.00 C ATOM 1015 O MET A 77 11.547 1.805 3.566 1.00 0.00 O ATOM 1016 CB MET A 77 8.597 1.032 4.849 1.00 0.00 C ATOM 1017 CG MET A 77 7.400 1.645 4.044 1.00 0.00 C ATOM 1018 SD MET A 77 6.388 0.543 2.968 1.00 0.00 S ATOM 1019 CE MET A 77 5.450 1.730 1.937 1.00 0.00 C ATOM 0 H MET A 77 8.755 -1.480 4.585 1.00 0.00 H new ATOM 0 HA MET A 77 9.704 0.545 2.923 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.199 0.292 5.543 1.00 0.00 H new ATOM 0 HB3 MET A 77 9.046 1.823 5.450 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.726 2.113 4.762 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.800 2.441 3.416 1.00 0.00 H new ATOM 0 HE1 MET A 77 4.805 1.184 1.249 1.00 0.00 H new ATOM 0 HE2 MET A 77 4.840 2.366 2.578 1.00 0.00 H new ATOM 0 HE3 MET A 77 6.146 2.348 1.369 1.00 0.00 H new ATOM 1029 N PRO A 78 11.852 0.720 5.554 1.00 0.00 N ATOM 1030 CA PRO A 78 13.171 1.402 5.844 1.00 0.00 C ATOM 1031 C PRO A 78 14.327 1.056 4.858 1.00 0.00 C ATOM 1032 O PRO A 78 14.801 1.981 4.223 1.00 0.00 O ATOM 1033 CB PRO A 78 13.521 1.001 7.300 1.00 0.00 C ATOM 1034 CG PRO A 78 12.618 -0.176 7.676 1.00 0.00 C ATOM 1035 CD PRO A 78 11.479 -0.241 6.649 1.00 0.00 C ATOM 0 HA PRO A 78 13.060 2.478 5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.571 0.721 7.380 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.363 1.839 7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.185 -1.107 7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.218 -0.045 8.682 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.363 -1.252 6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.528 0.036 7.104 1.00 0.00 H new ATOM 1043 N ASP A 79 14.739 -0.236 4.750 1.00 0.00 N ATOM 1044 CA ASP A 79 15.869 -0.655 3.804 1.00 0.00 C ATOM 1045 C ASP A 79 15.842 -2.160 3.479 1.00 0.00 C ATOM 1046 O ASP A 79 15.940 -2.506 2.312 1.00 0.00 O ATOM 1047 CB ASP A 79 17.258 -0.359 4.459 1.00 0.00 C ATOM 1048 CG ASP A 79 17.855 0.965 3.956 1.00 0.00 C ATOM 1049 OD1 ASP A 79 18.470 0.923 2.900 1.00 0.00 O ATOM 1050 OD2 ASP A 79 17.692 1.939 4.673 1.00 0.00 O ATOM 0 H ASP A 79 14.333 -1.006 5.282 1.00 0.00 H new ATOM 0 HA ASP A 79 15.721 -0.084 2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.148 -0.320 5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.946 -1.175 4.238 1.00 0.00 H new ATOM 1055 N GLY A 80 15.698 -3.004 4.509 1.00 0.00 N ATOM 1056 CA GLY A 80 15.669 -4.506 4.307 1.00 0.00 C ATOM 1057 C GLY A 80 15.517 -5.213 5.708 1.00 0.00 C ATOM 1058 O GLY A 80 15.227 -4.479 6.640 1.00 0.00 O ATOM 0 H GLY A 80 15.600 -2.707 5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.840 -4.782 3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.584 -4.837 3.816 1.00 0.00 H new ATOM 1062 N PRO A 81 15.693 -6.598 5.896 1.00 0.00 N ATOM 1063 CA PRO A 81 16.049 -7.669 4.865 1.00 0.00 C ATOM 1064 C PRO A 81 14.897 -7.979 3.896 1.00 0.00 C ATOM 1065 O PRO A 81 13.750 -8.034 4.326 1.00 0.00 O ATOM 1066 CB PRO A 81 16.320 -8.938 5.703 1.00 0.00 C ATOM 1067 CG PRO A 81 15.796 -8.690 7.124 1.00 0.00 C ATOM 1068 CD PRO A 81 15.526 -7.191 7.270 1.00 0.00 C ATOM 0 HA PRO A 81 16.888 -7.334 4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.823 -9.801 5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.387 -9.160 5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.884 -9.261 7.300 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.526 -9.020 7.863 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.521 -7.012 7.652 1.00 0.00 H new ATOM 0 HD3 PRO A 81 16.221 -6.737 7.977 1.00 0.00 H new ATOM 1076 N GLU A 82 15.254 -8.169 2.617 1.00 0.00 N ATOM 1077 CA GLU A 82 14.257 -8.484 1.524 1.00 0.00 C ATOM 1078 C GLU A 82 13.704 -9.917 1.723 1.00 0.00 C ATOM 1079 O GLU A 82 14.481 -10.823 1.995 1.00 0.00 O ATOM 1080 CB GLU A 82 15.057 -8.361 0.172 1.00 0.00 C ATOM 1081 CG GLU A 82 14.248 -8.677 -1.133 1.00 0.00 C ATOM 1082 CD GLU A 82 14.860 -7.862 -2.274 1.00 0.00 C ATOM 1083 OE1 GLU A 82 15.923 -8.264 -2.718 1.00 0.00 O ATOM 1084 OE2 GLU A 82 14.230 -6.882 -2.638 1.00 0.00 O ATOM 0 H GLU A 82 16.219 -8.115 2.291 1.00 0.00 H new ATOM 0 HA GLU A 82 13.401 -7.809 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.450 -7.347 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.914 -9.033 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.290 -9.742 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.197 -8.420 -1.002 1.00 0.00 H new ATOM 1091 N VAL A 83 12.384 -10.050 1.534 1.00 0.00 N ATOM 1092 CA VAL A 83 11.645 -11.368 1.683 1.00 0.00 C ATOM 1093 C VAL A 83 11.826 -12.251 0.399 1.00 0.00 C ATOM 1094 O VAL A 83 12.829 -12.945 0.334 1.00 0.00 O ATOM 1095 CB VAL A 83 10.093 -11.084 2.107 1.00 0.00 C ATOM 1096 CG1 VAL A 83 9.949 -10.929 3.697 1.00 0.00 C ATOM 1097 CG2 VAL A 83 9.437 -9.819 1.362 1.00 0.00 C ATOM 0 H VAL A 83 11.779 -9.271 1.275 1.00 0.00 H new ATOM 0 HA VAL A 83 12.074 -11.958 2.493 1.00 0.00 H new ATOM 0 HB VAL A 83 9.535 -11.960 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.906 -10.741 3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.281 -11.846 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.562 -10.095 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.407 -9.695 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.006 -8.921 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.453 -9.983 0.285 1.00 0.00 H new ATOM 1107 N GLY A 84 10.930 -12.186 -0.586 1.00 0.00 N ATOM 1108 CA GLY A 84 11.045 -13.009 -1.836 1.00 0.00 C ATOM 1109 C GLY A 84 9.733 -12.921 -2.614 1.00 0.00 C ATOM 1110 O GLY A 84 8.854 -12.162 -2.241 1.00 0.00 O ATOM 0 H GLY A 84 10.110 -11.579 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.871 -12.648 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.264 -14.047 -1.584 1.00 0.00 H new ATOM 1114 N ALA A 85 9.672 -13.720 -3.669 1.00 0.00 N ATOM 1115 CA ALA A 85 8.480 -13.820 -4.599 1.00 0.00 C ATOM 1116 C ALA A 85 7.311 -14.644 -3.978 1.00 0.00 C ATOM 1117 O ALA A 85 7.056 -15.786 -4.354 1.00 0.00 O ATOM 1118 CB ALA A 85 9.016 -14.460 -5.914 1.00 0.00 C ATOM 0 H ALA A 85 10.440 -14.337 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 85 8.051 -12.836 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.200 -14.559 -6.629 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.794 -13.824 -6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.430 -15.445 -5.697 1.00 0.00 H new ATOM 1124 N VAL A 86 6.624 -13.982 -3.038 1.00 0.00 N ATOM 1125 CA VAL A 86 5.445 -14.562 -2.285 1.00 0.00 C ATOM 1126 C VAL A 86 4.162 -14.346 -3.123 1.00 0.00 C ATOM 1127 O VAL A 86 4.021 -13.308 -3.755 1.00 0.00 O ATOM 1128 CB VAL A 86 5.403 -13.866 -0.817 1.00 0.00 C ATOM 1129 CG1 VAL A 86 4.957 -12.327 -0.809 1.00 0.00 C ATOM 1130 CG2 VAL A 86 4.585 -14.730 0.254 1.00 0.00 C ATOM 0 H VAL A 86 6.850 -13.027 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 86 5.531 -15.638 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 86 6.447 -13.856 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.960 -11.953 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.653 -11.743 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.954 -12.237 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.590 -14.217 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.557 -14.852 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.050 -15.710 0.363 1.00 0.00 H new ATOM 1140 N ASP A 87 3.293 -15.353 -3.092 1.00 0.00 N ATOM 1141 CA ASP A 87 1.983 -15.332 -3.841 1.00 0.00 C ATOM 1142 C ASP A 87 0.897 -14.756 -2.939 1.00 0.00 C ATOM 1143 O ASP A 87 1.029 -14.810 -1.729 1.00 0.00 O ATOM 1144 CB ASP A 87 1.607 -16.784 -4.189 1.00 0.00 C ATOM 1145 CG ASP A 87 2.863 -17.551 -4.603 1.00 0.00 C ATOM 1146 OD1 ASP A 87 3.295 -17.322 -5.720 1.00 0.00 O ATOM 1147 OD2 ASP A 87 3.321 -18.326 -3.778 1.00 0.00 O ATOM 0 H ASP A 87 3.449 -16.210 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 87 2.075 -14.726 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.140 -17.266 -3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.876 -16.798 -4.998 1.00 0.00 H new ATOM 1152 N CYS A 88 -0.141 -14.223 -3.559 1.00 0.00 N ATOM 1153 CA CYS A 88 -1.299 -13.611 -2.809 1.00 0.00 C ATOM 1154 C CYS A 88 -2.215 -14.668 -2.151 1.00 0.00 C ATOM 1155 O CYS A 88 -2.850 -14.374 -1.153 1.00 0.00 O ATOM 1156 CB CYS A 88 -2.127 -12.827 -3.841 1.00 0.00 C ATOM 1157 SG CYS A 88 -3.401 -11.715 -3.205 1.00 0.00 S ATOM 0 H CYS A 88 -0.235 -14.186 -4.574 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.906 -12.985 -2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -1.440 -12.240 -4.450 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -2.607 -13.546 -4.505 1.00 0.00 H new ATOM 1162 N ASP A 89 -2.221 -15.870 -2.722 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.063 -17.022 -2.214 1.00 0.00 C ATOM 1164 C ASP A 89 -2.534 -17.718 -0.944 1.00 0.00 C ATOM 1165 O ASP A 89 -3.342 -18.195 -0.163 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.068 -18.081 -3.330 1.00 0.00 C ATOM 1167 CG ASP A 89 -3.784 -17.534 -4.570 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -4.988 -17.723 -4.630 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -3.084 -16.965 -5.394 1.00 0.00 O ATOM 0 H ASP A 89 -1.660 -16.102 -3.542 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.038 -16.609 -1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.045 -18.358 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -3.567 -18.986 -2.982 1.00 0.00 H new ATOM 1174 N THR A 90 -1.214 -17.695 -0.742 1.00 0.00 N ATOM 1175 CA THR A 90 -0.566 -18.362 0.474 1.00 0.00 C ATOM 1176 C THR A 90 -0.679 -17.504 1.748 1.00 0.00 C ATOM 1177 O THR A 90 -0.638 -18.064 2.843 1.00 0.00 O ATOM 1178 CB THR A 90 0.963 -18.570 0.190 1.00 0.00 C ATOM 1179 OG1 THR A 90 1.396 -17.387 -0.434 1.00 0.00 O ATOM 1180 CG2 THR A 90 1.302 -19.690 -0.844 1.00 0.00 C ATOM 0 H THR A 90 -0.553 -17.240 -1.371 1.00 0.00 H new ATOM 0 HA THR A 90 -1.089 -19.304 0.636 1.00 0.00 H new ATOM 0 HB THR A 90 1.425 -18.834 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.352 -17.455 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.383 -19.754 -0.970 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.921 -20.646 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.839 -19.453 -1.802 1.00 0.00 H new ATOM 1188 N ALA A 91 -0.884 -16.188 1.575 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.010 -15.230 2.762 1.00 0.00 C ATOM 1190 C ALA A 91 -2.338 -15.502 3.601 1.00 0.00 C ATOM 1191 O ALA A 91 -3.260 -16.011 2.978 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.086 -13.787 2.215 1.00 0.00 C ATOM 0 H ALA A 91 -0.969 -15.741 0.662 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.148 -15.378 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.176 -13.087 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.181 -13.564 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.954 -13.690 1.563 1.00 0.00 H new ATOM 1198 N PRO A 92 -2.486 -15.141 4.956 1.00 0.00 N ATOM 1199 CA PRO A 92 -3.766 -15.428 5.703 1.00 0.00 C ATOM 1200 C PRO A 92 -4.929 -14.511 5.281 1.00 0.00 C ATOM 1201 O PRO A 92 -6.017 -15.006 5.037 1.00 0.00 O ATOM 1202 CB PRO A 92 -3.427 -15.148 7.182 1.00 0.00 C ATOM 1203 CG PRO A 92 -2.192 -14.239 7.197 1.00 0.00 C ATOM 1204 CD PRO A 92 -1.494 -14.409 5.844 1.00 0.00 C ATOM 0 HA PRO A 92 -4.095 -16.448 5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.266 -14.667 7.685 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.227 -16.078 7.714 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.480 -13.200 7.354 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.523 -14.511 8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.227 -13.442 5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.570 -14.977 5.949 1.00 0.00 H new ATOM 1212 N GLY A 93 -4.640 -13.210 5.172 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.665 -12.189 4.775 1.00 0.00 C ATOM 1214 C GLY A 93 -5.932 -12.253 3.270 1.00 0.00 C ATOM 1215 O GLY A 93 -6.607 -13.160 2.808 1.00 0.00 O ATOM 0 H GLY A 93 -3.713 -12.822 5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.591 -12.364 5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.318 -11.192 5.046 1.00 0.00 H new ATOM 1219 N GLY A 94 -5.338 -11.304 2.562 1.00 0.00 N ATOM 1220 CA GLY A 94 -5.481 -11.197 1.068 1.00 0.00 C ATOM 1221 C GLY A 94 -5.035 -9.806 0.619 1.00 0.00 C ATOM 1222 O GLY A 94 -5.014 -8.891 1.430 1.00 0.00 O ATOM 0 H GLY A 94 -4.746 -10.583 2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.878 -11.961 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.517 -11.372 0.776 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.701 -9.708 -0.662 1.00 0.00 N ATOM 1227 CA CYS A 95 -4.239 -8.416 -1.284 1.00 0.00 C ATOM 1228 C CYS A 95 -5.424 -7.434 -1.406 1.00 0.00 C ATOM 1229 O CYS A 95 -6.544 -7.887 -1.604 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.730 -8.763 -2.694 1.00 0.00 C ATOM 1231 SG CYS A 95 -2.413 -9.995 -2.817 1.00 0.00 S ATOM 0 H CYS A 95 -4.732 -10.493 -1.313 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.463 -7.950 -0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.578 -9.115 -3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.377 -7.844 -3.162 1.00 0.00 H new ATOM 1236 N GLU A 96 -5.133 -6.134 -1.231 1.00 0.00 N ATOM 1237 CA GLU A 96 -6.172 -5.010 -1.312 1.00 0.00 C ATOM 1238 C GLU A 96 -5.523 -3.761 -1.942 1.00 0.00 C ATOM 1239 O GLU A 96 -4.431 -3.396 -1.534 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.574 -4.565 0.142 1.00 0.00 C ATOM 1241 CG GLU A 96 -7.748 -5.348 0.788 1.00 0.00 C ATOM 1242 CD GLU A 96 -7.711 -5.103 2.298 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -8.207 -4.058 2.689 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -7.188 -5.972 2.975 1.00 0.00 O ATOM 0 H GLU A 96 -4.190 -5.800 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.024 -5.373 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.700 -4.662 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.837 -3.507 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.700 -5.018 0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.659 -6.413 0.573 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.226 -3.150 -2.912 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.740 -1.907 -3.630 1.00 0.00 C ATOM 1253 C ILE A 97 -6.071 -0.777 -2.629 1.00 0.00 C ATOM 1254 O ILE A 97 -7.111 -0.850 -1.995 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.543 -1.691 -5.023 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.850 -3.042 -5.856 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -5.851 -0.564 -5.965 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.692 -4.082 -6.047 1.00 0.00 C ATOM 0 H ILE A 97 -7.136 -3.480 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.685 -1.952 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.519 -1.324 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.678 -3.554 -5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.199 -2.749 -6.846 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.425 -0.456 -6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.830 0.389 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.832 -0.867 -6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.057 -4.931 -6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.864 -3.611 -6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.349 -4.428 -5.072 1.00 0.00 H new ATOM 1270 N VAL A 98 -5.107 0.152 -2.438 1.00 0.00 N ATOM 1271 CA VAL A 98 -5.236 1.348 -1.496 1.00 0.00 C ATOM 1272 C VAL A 98 -4.791 2.565 -2.343 1.00 0.00 C ATOM 1273 O VAL A 98 -3.826 2.469 -3.090 1.00 0.00 O ATOM 1274 CB VAL A 98 -4.293 1.220 -0.171 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -4.706 2.262 0.994 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.293 -0.260 0.401 1.00 0.00 C ATOM 0 H VAL A 98 -4.209 0.117 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.255 1.429 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.284 1.474 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.045 2.131 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.616 3.281 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.736 2.077 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.655 -0.309 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.309 -0.545 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.915 -0.944 -0.359 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.602 3.623 -2.234 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.423 4.957 -2.940 1.00 0.00 C ATOM 1288 C VAL A 99 -5.522 5.971 -1.769 1.00 0.00 C ATOM 1289 O VAL A 99 -6.308 5.756 -0.853 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.618 5.224 -4.014 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.298 6.450 -5.007 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.966 3.909 -4.848 1.00 0.00 C ATOM 0 H VAL A 99 -6.433 3.604 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.494 5.018 -3.508 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.493 5.501 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.128 6.582 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.161 7.362 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.388 6.236 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.768 4.127 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.082 3.580 -5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.287 3.121 -4.167 1.00 0.00 H new ATOM 1302 N GLY A 100 -4.692 7.006 -1.809 1.00 0.00 N ATOM 1303 CA GLY A 100 -4.691 8.061 -0.729 1.00 0.00 C ATOM 1304 C GLY A 100 -3.660 9.138 -1.055 1.00 0.00 C ATOM 1305 O GLY A 100 -2.601 8.821 -1.574 1.00 0.00 O ATOM 0 H GLY A 100 -4.011 7.162 -2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.682 8.508 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.462 7.607 0.235 1.00 0.00 H new ATOM 1309 N GLY A 101 -3.991 10.378 -0.684 1.00 0.00 N ATOM 1310 CA GLY A 101 -3.095 11.568 -0.925 1.00 0.00 C ATOM 1311 C GLY A 101 -1.953 11.656 0.095 1.00 0.00 C ATOM 1312 O GLY A 101 -1.780 10.783 0.933 1.00 0.00 O ATOM 0 H GLY A 101 -4.867 10.609 -0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.677 11.507 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.689 12.481 -0.881 1.00 0.00 H new ATOM 1316 N ASN A 102 -1.264 12.788 0.029 1.00 0.00 N ATOM 1317 CA ASN A 102 -0.096 13.089 0.938 1.00 0.00 C ATOM 1318 C ASN A 102 -0.523 13.460 2.380 1.00 0.00 C ATOM 1319 O ASN A 102 0.326 13.469 3.260 1.00 0.00 O ATOM 1320 CB ASN A 102 0.671 14.283 0.314 1.00 0.00 C ATOM 1321 CG ASN A 102 -0.130 15.587 0.444 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -1.130 15.786 -0.216 1.00 0.00 O ATOM 1323 ND2 ASN A 102 0.282 16.504 1.278 1.00 0.00 N ATOM 0 H ASN A 102 -1.472 13.533 -0.636 1.00 0.00 H new ATOM 0 HA ASN A 102 0.518 12.192 1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.637 14.396 0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 102 0.872 14.080 -0.738 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -0.235 17.378 1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.121 16.346 1.836 1.00 0.00 H new ATOM 1330 N THR A 103 -1.826 13.724 2.572 1.00 0.00 N ATOM 1331 CA THR A 103 -2.400 14.103 3.920 1.00 0.00 C ATOM 1332 C THR A 103 -2.388 12.900 4.898 1.00 0.00 C ATOM 1333 O THR A 103 -1.568 12.900 5.802 1.00 0.00 O ATOM 1334 CB THR A 103 -3.874 14.613 3.718 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.452 13.780 2.726 1.00 0.00 O ATOM 1336 CG2 THR A 103 -3.991 16.031 3.084 1.00 0.00 C ATOM 0 H THR A 103 -2.520 13.688 1.825 1.00 0.00 H new ATOM 0 HA THR A 103 -1.784 14.890 4.355 1.00 0.00 H new ATOM 0 HB THR A 103 -4.333 14.614 4.706 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.378 14.058 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.043 16.299 2.983 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.491 16.758 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.521 16.030 2.101 1.00 0.00 H new ATOM 1344 N GLY A 104 -3.242 11.894 4.663 1.00 0.00 N ATOM 1345 CA GLY A 104 -3.303 10.683 5.566 1.00 0.00 C ATOM 1346 C GLY A 104 -4.558 9.835 5.304 1.00 0.00 C ATOM 1347 O GLY A 104 -4.581 8.684 5.705 1.00 0.00 O ATOM 0 H GLY A 104 -3.895 11.871 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.414 10.072 5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.294 11.006 6.607 1.00 0.00 H new ATOM 1351 N GLU A 105 -5.561 10.445 4.662 1.00 0.00 N ATOM 1352 CA GLU A 105 -6.867 9.744 4.333 1.00 0.00 C ATOM 1353 C GLU A 105 -6.669 8.597 3.307 1.00 0.00 C ATOM 1354 O GLU A 105 -6.231 8.845 2.195 1.00 0.00 O ATOM 1355 CB GLU A 105 -7.839 10.799 3.693 1.00 0.00 C ATOM 1356 CG GLU A 105 -8.555 11.716 4.730 1.00 0.00 C ATOM 1357 CD GLU A 105 -9.112 12.931 3.983 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -10.180 12.773 3.415 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -8.439 13.947 4.026 1.00 0.00 O ATOM 0 H GLU A 105 -5.522 11.415 4.350 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.266 9.318 5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.275 11.424 3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.593 10.274 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.359 11.173 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.857 12.032 5.505 1.00 0.00 H new ATOM 1366 N TYR A 106 -7.023 7.376 3.745 1.00 0.00 N ATOM 1367 CA TYR A 106 -6.915 6.110 2.913 1.00 0.00 C ATOM 1368 C TYR A 106 -8.198 5.914 2.061 1.00 0.00 C ATOM 1369 O TYR A 106 -9.057 6.781 2.047 1.00 0.00 O ATOM 1370 CB TYR A 106 -6.781 4.918 3.920 1.00 0.00 C ATOM 1371 CG TYR A 106 -5.824 5.303 5.134 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -4.420 5.328 4.967 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -6.314 5.578 6.441 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -3.583 5.595 6.032 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -5.443 5.841 7.479 1.00 0.00 C ATOM 1376 CZ TYR A 106 -4.084 5.852 7.283 1.00 0.00 C ATOM 1377 OH TYR A 106 -3.231 6.118 8.335 1.00 0.00 O ATOM 0 H TYR A 106 -7.394 7.213 4.681 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.061 6.167 2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.766 4.646 4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.386 4.043 3.404 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -3.996 5.135 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.379 5.581 6.623 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.514 5.602 5.877 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.838 6.042 8.464 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.754 6.278 9.148 1.00 0.00 H new ATOM 1387 N GLY A 107 -8.271 4.786 1.352 1.00 0.00 N ATOM 1388 CA GLY A 107 -9.454 4.453 0.480 1.00 0.00 C ATOM 1389 C GLY A 107 -9.310 3.017 -0.039 1.00 0.00 C ATOM 1390 O GLY A 107 -8.933 2.814 -1.183 1.00 0.00 O ATOM 0 H GLY A 107 -7.540 4.075 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.379 4.556 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.513 5.150 -0.356 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.630 2.076 0.847 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.558 0.596 0.547 1.00 0.00 C ATOM 1396 C ASN A 108 -10.604 0.141 -0.496 1.00 0.00 C ATOM 1397 O ASN A 108 -11.632 0.785 -0.638 1.00 0.00 O ATOM 1398 CB ASN A 108 -9.799 -0.167 1.880 1.00 0.00 C ATOM 1399 CG ASN A 108 -11.144 0.217 2.523 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -12.159 -0.418 2.300 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -11.193 1.230 3.347 1.00 0.00 N ATOM 0 H ASN A 108 -9.947 2.286 1.793 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.578 0.380 0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -9.779 -1.241 1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.988 0.051 2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.074 1.481 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.350 1.770 3.542 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.262 -0.934 -1.231 1.00 0.00 N ATOM 1409 CA ALA A 109 -11.168 -1.531 -2.303 1.00 0.00 C ATOM 1410 C ALA A 109 -10.709 -2.981 -2.631 1.00 0.00 C ATOM 1411 O ALA A 109 -9.748 -3.184 -3.359 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.110 -0.653 -3.593 1.00 0.00 C ATOM 0 H ALA A 109 -9.374 -1.425 -1.124 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.193 -1.555 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.759 -1.084 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.445 0.358 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.086 -0.620 -3.965 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.399 -3.948 -2.018 1.00 0.00 N ATOM 1419 CA ALA A 110 -11.103 -5.419 -2.212 1.00 0.00 C ATOM 1420 C ALA A 110 -11.505 -5.933 -3.606 1.00 0.00 C ATOM 1421 O ALA A 110 -12.429 -5.399 -4.201 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.937 -6.185 -1.175 1.00 0.00 C ATOM 0 H ALA A 110 -12.172 -3.765 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.029 -5.569 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.754 -7.254 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.655 -5.864 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.995 -5.981 -1.337 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.750 -6.955 -4.056 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.912 -7.674 -5.405 1.00 0.00 C ATOM 1430 C ILE A 111 -11.225 -9.176 -5.091 1.00 0.00 C ATOM 1431 O ILE A 111 -11.166 -9.521 -3.922 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.545 -7.475 -6.267 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -8.182 -7.700 -5.380 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -9.561 -6.004 -6.941 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -6.959 -8.274 -6.177 1.00 0.00 C ATOM 0 H ILE A 111 -9.983 -7.338 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.727 -7.270 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.522 -8.244 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.893 -6.747 -4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.410 -8.377 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.650 -5.860 -7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.427 -5.914 -7.597 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.617 -5.246 -6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.108 -8.387 -5.506 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.222 -9.245 -6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.697 -7.589 -6.983 1.00 0.00 H new ATOM 1447 N SER A 112 -11.572 -10.000 -6.112 1.00 0.00 N ATOM 1448 CA SER A 112 -11.893 -11.478 -5.895 1.00 0.00 C ATOM 1449 C SER A 112 -11.681 -12.295 -7.184 1.00 0.00 C ATOM 1450 O SER A 112 -12.348 -12.044 -8.176 1.00 0.00 O ATOM 1451 CB SER A 112 -13.384 -11.604 -5.509 1.00 0.00 C ATOM 1452 OG SER A 112 -13.420 -11.377 -4.106 1.00 0.00 O ATOM 0 H SER A 112 -11.643 -9.697 -7.083 1.00 0.00 H new ATOM 0 HA SER A 112 -11.233 -11.858 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.993 -10.875 -6.043 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.775 -12.590 -5.760 1.00 0.00 H new ATOM 0 HG SER A 112 -12.685 -10.781 -3.852 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.751 -13.258 -7.118 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.422 -14.149 -8.291 1.00 0.00 C ATOM 1460 C PHE A 113 -11.556 -15.165 -8.518 1.00 0.00 C ATOM 1461 O PHE A 113 -12.213 -15.562 -7.565 1.00 0.00 O ATOM 1462 CB PHE A 113 -9.133 -14.947 -7.945 1.00 0.00 C ATOM 1463 CG PHE A 113 -7.945 -13.964 -7.532 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -7.143 -13.328 -8.515 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -7.608 -13.708 -6.173 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -6.089 -12.516 -8.152 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -6.544 -12.888 -5.852 1.00 0.00 C ATOM 1468 CZ PHE A 113 -5.794 -12.298 -6.833 1.00 0.00 C ATOM 0 H PHE A 113 -10.204 -13.456 -6.280 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.290 -13.538 -9.184 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.338 -15.639 -7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.831 -15.547 -8.803 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.361 -13.482 -9.562 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.191 -14.160 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.489 -12.046 -8.918 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.301 -12.710 -4.815 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.966 -11.658 -6.566 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.758 -15.528 -9.785 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.831 -16.519 -10.190 1.00 0.00 C ATOM 1480 C GLY A 114 -14.257 -15.975 -9.979 1.00 0.00 C ATOM 1481 O GLY A 114 -15.119 -16.806 -9.747 1.00 0.00 O ATOM 1482 OXT GLY A 114 -14.403 -14.766 -10.062 1.00 0.00 O ATOM 0 H GLY A 114 -11.210 -15.169 -10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.699 -16.782 -11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.708 -17.436 -9.614 1.00 0.00 H new TER 1486 GLY A 114