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 Single : A 1 ALA N :NH3+ -101:sc= 0.0982 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 48:sc= 0.113 USER MOD Single : A 8 SER OG : rot 25:sc= 0.304 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 22 SER OG : rot -88:sc= 0.377 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.092 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0062 USER MOD Single : A 31 SER OG : rot 36:sc= 0.551 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0.47) USER MOD Single : A 48 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.056) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.032) 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= 0.0231 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= 0.0734 USER MOD Single : A 102 ASN : amide:sc= -0.996 K(o=-1,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.019) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.759 12.928 4.944 1.00 0.00 N ATOM 2 CA ALA A 1 -17.149 12.618 3.625 1.00 0.00 C ATOM 3 C ALA A 1 -18.222 12.604 2.540 1.00 0.00 C ATOM 4 O ALA A 1 -19.392 12.449 2.855 1.00 0.00 O ATOM 5 CB ALA A 1 -16.484 11.237 3.670 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.590 13.927 5.179 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.783 12.751 4.903 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.332 12.324 5.675 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.406 13.384 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.039 11.016 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.708 11.232 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.232 10.480 3.907 1.00 0.00 H new ATOM 13 N SER A 2 -17.762 12.820 1.297 1.00 0.00 N ATOM 14 CA SER A 2 -18.636 12.853 0.047 1.00 0.00 C ATOM 15 C SER A 2 -17.869 12.251 -1.154 1.00 0.00 C ATOM 16 O SER A 2 -18.345 12.308 -2.280 1.00 0.00 O ATOM 17 CB SER A 2 -18.995 14.332 -0.285 1.00 0.00 C ATOM 18 OG SER A 2 -17.827 14.848 -0.910 1.00 0.00 O ATOM 0 H SER A 2 -16.774 12.980 1.098 1.00 0.00 H new ATOM 0 HA SER A 2 -19.540 12.272 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.859 14.392 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.244 14.892 0.616 1.00 0.00 H new ATOM 0 HG SER A 2 -17.974 15.786 -1.154 1.00 0.00 H new ATOM 24 N ALA A 3 -16.732 11.615 -0.854 1.00 0.00 N ATOM 25 CA ALA A 3 -15.853 10.967 -1.904 1.00 0.00 C ATOM 26 C ALA A 3 -16.451 9.668 -2.465 1.00 0.00 C ATOM 27 O ALA A 3 -17.426 9.156 -1.935 1.00 0.00 O ATOM 28 CB ALA A 3 -14.521 10.609 -1.227 1.00 0.00 C ATOM 0 H ALA A 3 -16.376 11.521 0.097 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.743 11.668 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.859 10.138 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.053 11.515 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.705 9.919 -0.404 1.00 0.00 H new ATOM 34 N ALA A 4 -15.834 9.201 -3.552 1.00 0.00 N ATOM 35 CA ALA A 4 -16.258 7.938 -4.261 1.00 0.00 C ATOM 36 C ALA A 4 -15.106 7.411 -5.125 1.00 0.00 C ATOM 37 O ALA A 4 -14.580 8.164 -5.932 1.00 0.00 O ATOM 38 CB ALA A 4 -17.428 8.262 -5.196 1.00 0.00 C ATOM 0 H ALA A 4 -15.033 9.663 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.542 7.193 -3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.742 7.356 -5.713 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -18.261 8.655 -4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -17.114 9.007 -5.927 1.00 0.00 H new ATOM 44 N VAL A 5 -14.735 6.137 -4.875 1.00 0.00 N ATOM 45 CA VAL A 5 -13.624 5.385 -5.593 1.00 0.00 C ATOM 46 C VAL A 5 -14.286 4.040 -5.956 1.00 0.00 C ATOM 47 O VAL A 5 -15.070 3.526 -5.166 1.00 0.00 O ATOM 48 CB VAL A 5 -12.335 5.109 -4.632 1.00 0.00 C ATOM 49 CG1 VAL A 5 -11.025 4.674 -5.459 1.00 0.00 C ATOM 50 CG2 VAL A 5 -12.014 6.360 -3.705 1.00 0.00 C ATOM 0 H VAL A 5 -15.193 5.571 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.243 5.949 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.612 4.269 -3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.199 4.504 -4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.231 3.757 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.756 5.466 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.149 6.137 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.798 7.228 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.875 6.573 -3.071 1.00 0.00 H new ATOM 60 N SER A 6 -14.021 3.572 -7.175 1.00 0.00 N ATOM 61 CA SER A 6 -14.586 2.267 -7.686 1.00 0.00 C ATOM 62 C SER A 6 -13.801 1.790 -8.919 1.00 0.00 C ATOM 63 O SER A 6 -13.734 2.504 -9.908 1.00 0.00 O ATOM 64 CB SER A 6 -16.050 2.460 -8.113 1.00 0.00 C ATOM 65 OG SER A 6 -16.097 3.770 -8.662 1.00 0.00 O ATOM 0 H SER A 6 -13.423 4.056 -7.845 1.00 0.00 H new ATOM 0 HA SER A 6 -14.513 1.533 -6.884 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.350 1.712 -8.847 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.726 2.362 -7.264 1.00 0.00 H new ATOM 0 HG SER A 6 -15.360 3.885 -9.298 1.00 0.00 H new ATOM 71 N VAL A 7 -13.260 0.572 -8.806 1.00 0.00 N ATOM 72 CA VAL A 7 -12.446 -0.094 -9.901 1.00 0.00 C ATOM 73 C VAL A 7 -13.509 -0.720 -10.837 1.00 0.00 C ATOM 74 O VAL A 7 -14.578 -1.053 -10.345 1.00 0.00 O ATOM 75 CB VAL A 7 -11.498 -1.260 -9.282 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.256 -1.617 -10.236 1.00 0.00 C ATOM 77 CG2 VAL A 7 -10.987 -0.920 -7.798 1.00 0.00 C ATOM 0 H VAL A 7 -13.357 -0.001 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.788 0.609 -10.413 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.133 -2.144 -9.219 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.656 -2.401 -9.774 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.626 -1.964 -11.201 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.642 -0.728 -10.381 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.358 -1.733 -7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.411 0.005 -7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.845 -0.801 -7.136 1.00 0.00 H new ATOM 87 N SER A 8 -13.204 -0.809 -12.144 1.00 0.00 N ATOM 88 CA SER A 8 -14.154 -1.402 -13.184 1.00 0.00 C ATOM 89 C SER A 8 -13.318 -1.962 -14.428 1.00 0.00 C ATOM 90 O SER A 8 -12.768 -1.108 -15.118 1.00 0.00 O ATOM 91 CB SER A 8 -15.048 -0.226 -13.678 1.00 0.00 C ATOM 92 OG SER A 8 -16.096 -0.162 -12.721 1.00 0.00 O ATOM 0 H SER A 8 -12.318 -0.487 -12.534 1.00 0.00 H new ATOM 0 HA SER A 8 -14.740 -2.217 -12.758 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.489 0.709 -13.720 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.434 -0.412 -14.680 1.00 0.00 H new ATOM 0 HG SER A 8 -15.787 -0.541 -11.872 1.00 0.00 H new ATOM 98 N PRO A 9 -13.104 -3.344 -14.713 1.00 0.00 N ATOM 99 CA PRO A 9 -13.529 -4.595 -13.927 1.00 0.00 C ATOM 100 C PRO A 9 -12.891 -4.672 -12.524 1.00 0.00 C ATOM 101 O PRO A 9 -11.955 -3.950 -12.273 1.00 0.00 O ATOM 102 CB PRO A 9 -13.012 -5.789 -14.759 1.00 0.00 C ATOM 103 CG PRO A 9 -12.426 -5.251 -16.069 1.00 0.00 C ATOM 104 CD PRO A 9 -12.383 -3.725 -15.984 1.00 0.00 C ATOM 0 HA PRO A 9 -14.609 -4.585 -13.779 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.253 -6.339 -14.202 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.824 -6.487 -14.965 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.425 -5.651 -16.230 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.035 -5.567 -16.916 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.354 -3.367 -15.968 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.864 -3.275 -16.852 1.00 0.00 H new ATOM 112 N ALA A 10 -13.467 -5.524 -11.643 1.00 0.00 N ATOM 113 CA ALA A 10 -12.958 -5.716 -10.210 1.00 0.00 C ATOM 114 C ALA A 10 -13.026 -7.173 -9.734 1.00 0.00 C ATOM 115 O ALA A 10 -12.513 -7.446 -8.659 1.00 0.00 O ATOM 116 CB ALA A 10 -13.874 -4.916 -9.250 1.00 0.00 C ATOM 0 H ALA A 10 -14.279 -6.098 -11.870 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.919 -5.385 -10.205 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.525 -5.042 -8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.845 -3.859 -9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.897 -5.283 -9.333 1.00 0.00 H new ATOM 122 N THR A 11 -13.661 -8.049 -10.532 1.00 0.00 N ATOM 123 CA THR A 11 -13.816 -9.532 -10.194 1.00 0.00 C ATOM 124 C THR A 11 -13.497 -10.398 -11.424 1.00 0.00 C ATOM 125 O THR A 11 -13.603 -9.935 -12.549 1.00 0.00 O ATOM 126 CB THR A 11 -15.310 -9.842 -9.810 1.00 0.00 C ATOM 127 OG1 THR A 11 -16.054 -9.530 -10.971 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.945 -8.919 -8.727 1.00 0.00 C ATOM 0 H THR A 11 -14.085 -7.786 -11.421 1.00 0.00 H new ATOM 0 HA THR A 11 -13.137 -9.754 -9.371 1.00 0.00 H new ATOM 0 HB THR A 11 -15.326 -10.865 -9.435 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.005 -9.702 -10.806 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.975 -9.227 -8.545 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.374 -8.997 -7.802 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.932 -7.886 -9.076 1.00 0.00 H new ATOM 136 N GLY A 12 -13.059 -11.624 -11.142 1.00 0.00 N ATOM 137 CA GLY A 12 -12.700 -12.632 -12.213 1.00 0.00 C ATOM 138 C GLY A 12 -11.391 -12.307 -12.941 1.00 0.00 C ATOM 139 O GLY A 12 -11.236 -12.694 -14.089 1.00 0.00 O ATOM 0 H GLY A 12 -12.935 -11.970 -10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.619 -13.620 -11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.510 -12.681 -12.941 1.00 0.00 H new ATOM 143 N LEU A 13 -10.493 -11.639 -12.230 1.00 0.00 N ATOM 144 CA LEU A 13 -9.141 -11.235 -12.785 1.00 0.00 C ATOM 145 C LEU A 13 -8.223 -12.480 -12.890 1.00 0.00 C ATOM 146 O LEU A 13 -8.432 -13.441 -12.162 1.00 0.00 O ATOM 147 CB LEU A 13 -8.460 -10.224 -11.778 1.00 0.00 C ATOM 148 CG LEU A 13 -9.292 -8.869 -11.361 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.380 -7.930 -10.439 1.00 0.00 C ATOM 150 CD2 LEU A 13 -9.867 -8.038 -12.600 1.00 0.00 C ATOM 0 H LEU A 13 -10.645 -11.350 -11.264 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.279 -10.783 -13.767 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.230 -10.769 -10.863 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.509 -9.912 -12.210 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.166 -9.213 -10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.938 -7.034 -10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.098 -8.470 -9.535 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.481 -7.645 -10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.401 -7.161 -12.234 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.043 -7.720 -13.239 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.549 -8.665 -13.173 1.00 0.00 H new ATOM 162 N ALA A 14 -7.252 -12.389 -13.822 1.00 0.00 N ATOM 163 CA ALA A 14 -6.224 -13.471 -14.123 1.00 0.00 C ATOM 164 C ALA A 14 -4.802 -12.885 -14.015 1.00 0.00 C ATOM 165 O ALA A 14 -4.658 -11.747 -13.610 1.00 0.00 O ATOM 166 CB ALA A 14 -6.489 -13.925 -15.576 1.00 0.00 C ATOM 0 H ALA A 14 -7.137 -11.562 -14.407 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.303 -14.302 -13.422 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.778 -14.705 -15.849 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.504 -14.315 -15.656 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.373 -13.076 -16.249 1.00 0.00 H new ATOM 172 N ASP A 15 -3.802 -13.706 -14.342 1.00 0.00 N ATOM 173 CA ASP A 15 -2.348 -13.288 -14.292 1.00 0.00 C ATOM 174 C ASP A 15 -2.014 -12.224 -15.362 1.00 0.00 C ATOM 175 O ASP A 15 -2.359 -12.406 -16.518 1.00 0.00 O ATOM 176 CB ASP A 15 -1.512 -14.553 -14.586 1.00 0.00 C ATOM 177 CG ASP A 15 -0.070 -14.185 -14.960 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.614 -13.691 -14.076 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.272 -14.433 -16.105 1.00 0.00 O ATOM 0 H ASP A 15 -3.944 -14.669 -14.647 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.131 -12.854 -13.316 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.510 -15.203 -13.711 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.970 -15.115 -15.400 1.00 0.00 H new ATOM 184 N GLY A 16 -1.371 -11.134 -14.923 1.00 0.00 N ATOM 185 CA GLY A 16 -0.967 -10.000 -15.839 1.00 0.00 C ATOM 186 C GLY A 16 -2.170 -9.169 -16.314 1.00 0.00 C ATOM 187 O GLY A 16 -2.106 -8.587 -17.386 1.00 0.00 O ATOM 0 H GLY A 16 -1.109 -10.991 -13.948 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.263 -9.350 -15.319 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.445 -10.406 -16.706 1.00 0.00 H new ATOM 191 N ALA A 17 -3.210 -9.130 -15.483 1.00 0.00 N ATOM 192 CA ALA A 17 -4.468 -8.359 -15.804 1.00 0.00 C ATOM 193 C ALA A 17 -4.254 -6.845 -15.702 1.00 0.00 C ATOM 194 O ALA A 17 -3.602 -6.401 -14.770 1.00 0.00 O ATOM 195 CB ALA A 17 -5.535 -8.720 -14.760 1.00 0.00 C ATOM 0 H ALA A 17 -3.233 -9.610 -14.583 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.763 -8.616 -16.821 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.453 -8.173 -14.974 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.734 -9.791 -14.798 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.177 -8.453 -13.766 1.00 0.00 H new ATOM 201 N THR A 18 -4.855 -6.127 -16.658 1.00 0.00 N ATOM 202 CA THR A 18 -4.792 -4.623 -16.767 1.00 0.00 C ATOM 203 C THR A 18 -6.121 -4.126 -16.209 1.00 0.00 C ATOM 204 O THR A 18 -7.143 -4.695 -16.568 1.00 0.00 O ATOM 205 CB THR A 18 -4.664 -4.298 -18.296 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.340 -4.672 -18.620 1.00 0.00 O ATOM 207 CG2 THR A 18 -4.713 -2.784 -18.704 1.00 0.00 C ATOM 0 H THR A 18 -5.411 -6.557 -17.397 1.00 0.00 H new ATOM 0 HA THR A 18 -3.962 -4.161 -16.232 1.00 0.00 H new ATOM 0 HB THR A 18 -5.499 -4.798 -18.788 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.175 -4.501 -19.571 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.614 -2.695 -19.786 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.664 -2.353 -18.390 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.895 -2.250 -18.220 1.00 0.00 H new ATOM 215 N VAL A 19 -6.054 -3.133 -15.312 1.00 0.00 N ATOM 216 CA VAL A 19 -7.281 -2.522 -14.655 1.00 0.00 C ATOM 217 C VAL A 19 -7.197 -0.984 -14.697 1.00 0.00 C ATOM 218 O VAL A 19 -6.113 -0.442 -14.588 1.00 0.00 O ATOM 219 CB VAL A 19 -7.438 -3.043 -13.140 1.00 0.00 C ATOM 220 CG1 VAL A 19 -8.261 -4.409 -13.077 1.00 0.00 C ATOM 221 CG2 VAL A 19 -6.047 -3.171 -12.351 1.00 0.00 C ATOM 0 H VAL A 19 -5.175 -2.716 -15.006 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.164 -2.837 -15.211 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.005 -2.270 -12.622 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.349 -4.733 -12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.256 -4.254 -13.494 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.741 -5.174 -13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.235 -3.527 -11.338 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.398 -3.877 -12.870 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.562 -2.196 -12.308 1.00 0.00 H new ATOM 231 N THR A 20 -8.378 -0.370 -14.849 1.00 0.00 N ATOM 232 CA THR A 20 -8.570 1.124 -14.924 1.00 0.00 C ATOM 233 C THR A 20 -9.132 1.651 -13.583 1.00 0.00 C ATOM 234 O THR A 20 -10.331 1.566 -13.352 1.00 0.00 O ATOM 235 CB THR A 20 -9.601 1.311 -16.102 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.842 1.016 -17.258 1.00 0.00 O ATOM 237 CG2 THR A 20 -10.114 2.762 -16.396 1.00 0.00 C ATOM 0 H THR A 20 -9.254 -0.886 -14.927 1.00 0.00 H new ATOM 0 HA THR A 20 -7.646 1.675 -15.100 1.00 0.00 H new ATOM 0 HB THR A 20 -10.471 0.708 -15.842 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.408 1.105 -18.053 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.815 2.738 -17.230 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.615 3.157 -15.512 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.269 3.402 -16.651 1.00 0.00 H new ATOM 245 N VAL A 21 -8.231 2.188 -12.750 1.00 0.00 N ATOM 246 CA VAL A 21 -8.614 2.755 -11.394 1.00 0.00 C ATOM 247 C VAL A 21 -9.178 4.145 -11.722 1.00 0.00 C ATOM 248 O VAL A 21 -8.689 4.762 -12.653 1.00 0.00 O ATOM 249 CB VAL A 21 -7.283 2.830 -10.466 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.428 3.803 -9.183 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.848 1.362 -10.005 1.00 0.00 C ATOM 0 H VAL A 21 -7.236 2.254 -12.963 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.341 2.159 -10.842 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.506 3.272 -11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.497 3.798 -8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.643 4.818 -9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.242 3.450 -8.549 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.955 1.426 -9.384 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.656 0.906 -9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.636 0.753 -10.884 1.00 0.00 H new ATOM 261 N SER A 22 -10.205 4.550 -10.960 1.00 0.00 N ATOM 262 CA SER A 22 -10.894 5.890 -11.132 1.00 0.00 C ATOM 263 C SER A 22 -11.201 6.499 -9.768 1.00 0.00 C ATOM 264 O SER A 22 -11.231 5.792 -8.769 1.00 0.00 O ATOM 265 CB SER A 22 -12.238 5.680 -11.867 1.00 0.00 C ATOM 266 OG SER A 22 -13.132 5.209 -10.874 1.00 0.00 O ATOM 0 H SER A 22 -10.597 3.983 -10.208 1.00 0.00 H new ATOM 0 HA SER A 22 -10.238 6.550 -11.699 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.595 6.610 -12.310 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.135 4.960 -12.679 1.00 0.00 H new ATOM 0 HG SER A 22 -13.072 4.232 -10.817 1.00 0.00 H new ATOM 272 N ALA A 23 -11.325 7.826 -9.770 1.00 0.00 N ATOM 273 CA ALA A 23 -11.632 8.642 -8.533 1.00 0.00 C ATOM 274 C ALA A 23 -12.178 9.994 -8.983 1.00 0.00 C ATOM 275 O ALA A 23 -11.878 10.410 -10.091 1.00 0.00 O ATOM 276 CB ALA A 23 -10.346 8.905 -7.703 1.00 0.00 C ATOM 0 H ALA A 23 -11.221 8.391 -10.613 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.347 8.094 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.597 9.493 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.912 7.954 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.626 9.452 -8.311 1.00 0.00 H new ATOM 282 N SER A 24 -13.013 10.607 -8.133 1.00 0.00 N ATOM 283 CA SER A 24 -13.626 11.958 -8.449 1.00 0.00 C ATOM 284 C SER A 24 -14.141 12.651 -7.176 1.00 0.00 C ATOM 285 O SER A 24 -14.744 12.006 -6.334 1.00 0.00 O ATOM 286 CB SER A 24 -14.828 11.762 -9.390 1.00 0.00 C ATOM 287 OG SER A 24 -15.396 10.522 -8.991 1.00 0.00 O ATOM 0 H SER A 24 -13.292 10.220 -7.232 1.00 0.00 H new ATOM 0 HA SER A 24 -12.854 12.574 -8.910 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.545 12.577 -9.292 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.515 11.737 -10.434 1.00 0.00 H new ATOM 0 HG SER A 24 -16.177 10.325 -9.549 1.00 0.00 H new ATOM 293 N GLY A 25 -13.875 13.959 -7.093 1.00 0.00 N ATOM 294 CA GLY A 25 -14.301 14.813 -5.922 1.00 0.00 C ATOM 295 C GLY A 25 -13.575 14.470 -4.614 1.00 0.00 C ATOM 296 O GLY A 25 -14.210 14.002 -3.683 1.00 0.00 O ATOM 0 H GLY A 25 -13.367 14.473 -7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.122 15.861 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.375 14.700 -5.772 1.00 0.00 H new ATOM 300 N PHE A 26 -12.273 14.748 -4.599 1.00 0.00 N ATOM 301 CA PHE A 26 -11.396 14.481 -3.394 1.00 0.00 C ATOM 302 C PHE A 26 -11.726 15.472 -2.258 1.00 0.00 C ATOM 303 O PHE A 26 -12.110 16.597 -2.538 1.00 0.00 O ATOM 304 CB PHE A 26 -9.931 14.683 -3.838 1.00 0.00 C ATOM 305 CG PHE A 26 -9.387 13.379 -4.572 1.00 0.00 C ATOM 306 CD1 PHE A 26 -8.681 12.365 -3.871 1.00 0.00 C ATOM 307 CD2 PHE A 26 -9.445 13.253 -5.978 1.00 0.00 C ATOM 308 CE1 PHE A 26 -8.061 11.340 -4.545 1.00 0.00 C ATOM 309 CE2 PHE A 26 -8.809 12.214 -6.617 1.00 0.00 C ATOM 310 CZ PHE A 26 -8.121 11.265 -5.906 1.00 0.00 C ATOM 0 H PHE A 26 -11.776 15.157 -5.390 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.562 13.469 -3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.863 15.540 -4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.309 14.906 -2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -8.631 12.400 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.995 13.980 -6.557 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.521 10.586 -3.992 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.852 12.145 -7.694 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.626 10.457 -6.424 1.00 0.00 H new ATOM 320 N ALA A 27 -11.544 15.015 -1.014 1.00 0.00 N ATOM 321 CA ALA A 27 -11.827 15.850 0.215 1.00 0.00 C ATOM 322 C ALA A 27 -10.891 17.076 0.416 1.00 0.00 C ATOM 323 O ALA A 27 -11.374 18.188 0.271 1.00 0.00 O ATOM 324 CB ALA A 27 -11.738 14.901 1.436 1.00 0.00 C ATOM 0 H ALA A 27 -11.203 14.076 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.817 16.290 0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.936 15.463 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.475 14.105 1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.740 14.466 1.487 1.00 0.00 H new ATOM 330 N THR A 28 -9.604 16.828 0.763 1.00 0.00 N ATOM 331 CA THR A 28 -8.543 17.919 1.007 1.00 0.00 C ATOM 332 C THR A 28 -7.251 17.604 0.228 1.00 0.00 C ATOM 333 O THR A 28 -6.503 18.521 -0.093 1.00 0.00 O ATOM 334 CB THR A 28 -8.185 17.937 2.529 1.00 0.00 C ATOM 335 OG1 THR A 28 -8.313 16.592 2.948 1.00 0.00 O ATOM 336 CG2 THR A 28 -9.185 18.704 3.445 1.00 0.00 C ATOM 0 H THR A 28 -9.242 15.883 0.889 1.00 0.00 H new ATOM 0 HA THR A 28 -8.946 18.877 0.678 1.00 0.00 H new ATOM 0 HB THR A 28 -7.209 18.414 2.620 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.100 16.525 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.843 18.655 4.479 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.241 19.746 3.131 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.172 18.249 3.367 1.00 0.00 H new ATOM 344 N SER A 29 -7.025 16.312 -0.013 1.00 0.00 N ATOM 345 CA SER A 29 -5.804 15.814 -0.773 1.00 0.00 C ATOM 346 C SER A 29 -5.742 16.415 -2.209 1.00 0.00 C ATOM 347 O SER A 29 -6.618 16.140 -3.015 1.00 0.00 O ATOM 348 CB SER A 29 -5.941 14.284 -0.869 1.00 0.00 C ATOM 349 OG SER A 29 -7.325 14.064 -1.026 1.00 0.00 O ATOM 0 H SER A 29 -7.651 15.567 0.293 1.00 0.00 H new ATOM 0 HA SER A 29 -4.893 16.115 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.377 13.887 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.560 13.794 0.027 1.00 0.00 H new ATOM 0 HG SER A 29 -7.497 13.102 -1.097 1.00 0.00 H new ATOM 355 N THR A 30 -4.696 17.242 -2.439 1.00 0.00 N ATOM 356 CA THR A 30 -4.427 17.954 -3.766 1.00 0.00 C ATOM 357 C THR A 30 -3.478 17.152 -4.696 1.00 0.00 C ATOM 358 O THR A 30 -2.998 17.688 -5.683 1.00 0.00 O ATOM 359 CB THR A 30 -3.729 19.298 -3.357 1.00 0.00 C ATOM 360 OG1 THR A 30 -4.313 19.617 -2.109 1.00 0.00 O ATOM 361 CG2 THR A 30 -4.064 20.559 -4.222 1.00 0.00 C ATOM 0 H THR A 30 -3.998 17.452 -1.725 1.00 0.00 H new ATOM 0 HA THR A 30 -5.355 18.086 -4.323 1.00 0.00 H new ATOM 0 HB THR A 30 -2.655 19.123 -3.426 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.929 20.454 -1.773 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.519 21.420 -3.836 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.772 20.379 -5.257 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.135 20.757 -4.176 1.00 0.00 H new ATOM 369 N SER A 31 -3.266 15.884 -4.357 1.00 0.00 N ATOM 370 CA SER A 31 -2.366 14.940 -5.145 1.00 0.00 C ATOM 371 C SER A 31 -2.722 13.501 -4.741 1.00 0.00 C ATOM 372 O SER A 31 -3.325 13.325 -3.696 1.00 0.00 O ATOM 373 CB SER A 31 -0.884 15.234 -4.765 1.00 0.00 C ATOM 374 OG SER A 31 -0.471 16.235 -5.682 1.00 0.00 O ATOM 0 H SER A 31 -3.694 15.450 -3.539 1.00 0.00 H new ATOM 0 HA SER A 31 -2.501 15.075 -6.218 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.800 15.581 -3.735 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.268 14.339 -4.851 1.00 0.00 H new ATOM 0 HG SER A 31 -1.218 16.844 -5.860 1.00 0.00 H new ATOM 380 N ALA A 32 -2.388 12.518 -5.599 1.00 0.00 N ATOM 381 CA ALA A 32 -2.691 11.058 -5.306 1.00 0.00 C ATOM 382 C ALA A 32 -1.821 10.105 -6.140 1.00 0.00 C ATOM 383 O ALA A 32 -1.534 10.397 -7.291 1.00 0.00 O ATOM 384 CB ALA A 32 -4.165 10.786 -5.657 1.00 0.00 C ATOM 0 H ALA A 32 -1.917 12.678 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.481 10.879 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.401 9.742 -5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.807 11.428 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.332 10.996 -6.713 1.00 0.00 H new ATOM 390 N THR A 33 -1.452 8.992 -5.477 1.00 0.00 N ATOM 391 CA THR A 33 -0.600 7.871 -6.033 1.00 0.00 C ATOM 392 C THR A 33 -1.490 6.629 -6.037 1.00 0.00 C ATOM 393 O THR A 33 -2.641 6.751 -5.660 1.00 0.00 O ATOM 394 CB THR A 33 0.555 7.651 -4.998 1.00 0.00 C ATOM 395 OG1 THR A 33 0.781 8.936 -4.453 1.00 0.00 O ATOM 396 CG2 THR A 33 1.950 7.266 -5.581 1.00 0.00 C ATOM 0 H THR A 33 -1.735 8.823 -4.512 1.00 0.00 H new ATOM 0 HA THR A 33 -0.204 8.077 -7.027 1.00 0.00 H new ATOM 0 HB THR A 33 0.235 6.841 -4.343 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.497 8.887 -3.786 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.663 7.142 -4.766 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.867 6.332 -6.136 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.296 8.055 -6.248 1.00 0.00 H new ATOM 404 N ALA A 34 -0.950 5.505 -6.509 1.00 0.00 N ATOM 405 CA ALA A 34 -1.719 4.189 -6.565 1.00 0.00 C ATOM 406 C ALA A 34 -0.734 3.004 -6.401 1.00 0.00 C ATOM 407 O ALA A 34 -0.036 2.644 -7.342 1.00 0.00 O ATOM 408 CB ALA A 34 -2.459 4.105 -7.925 1.00 0.00 C ATOM 0 H ALA A 34 0.005 5.444 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.448 4.141 -5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.014 3.168 -7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.151 4.943 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.733 4.145 -8.737 1.00 0.00 H new ATOM 414 N LEU A 35 -0.691 2.498 -5.153 1.00 0.00 N ATOM 415 CA LEU A 35 0.189 1.332 -4.710 1.00 0.00 C ATOM 416 C LEU A 35 -0.720 0.165 -4.266 1.00 0.00 C ATOM 417 O LEU A 35 -1.877 0.401 -3.952 1.00 0.00 O ATOM 418 CB LEU A 35 0.971 1.837 -3.435 1.00 0.00 C ATOM 419 CG LEU A 35 2.194 2.874 -3.752 1.00 0.00 C ATOM 420 CD1 LEU A 35 2.324 3.988 -2.613 1.00 0.00 C ATOM 421 CD2 LEU A 35 3.589 2.125 -3.990 1.00 0.00 C ATOM 0 H LEU A 35 -1.262 2.872 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 35 0.854 1.006 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.265 2.323 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.373 0.973 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 35 1.942 3.374 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.147 4.661 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.396 4.556 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.518 3.507 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.366 2.861 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.854 1.557 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.497 1.446 -4.838 1.00 0.00 H new ATOM 433 N GLN A 36 -0.148 -1.053 -4.309 1.00 0.00 N ATOM 434 CA GLN A 36 -0.822 -2.349 -3.923 1.00 0.00 C ATOM 435 C GLN A 36 0.256 -3.133 -3.128 1.00 0.00 C ATOM 436 O GLN A 36 1.324 -3.371 -3.673 1.00 0.00 O ATOM 437 CB GLN A 36 -1.232 -3.053 -5.282 1.00 0.00 C ATOM 438 CG GLN A 36 -1.759 -4.528 -5.180 1.00 0.00 C ATOM 439 CD GLN A 36 -0.650 -5.535 -5.527 1.00 0.00 C ATOM 440 OE1 GLN A 36 0.089 -5.976 -4.678 1.00 0.00 O ATOM 441 NE2 GLN A 36 -0.514 -5.929 -6.763 1.00 0.00 N ATOM 0 H GLN A 36 0.815 -1.188 -4.617 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.719 -2.256 -3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.003 -2.448 -5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.366 -3.046 -5.944 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.125 -4.718 -4.171 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.603 -4.664 -5.856 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.133 -5.562 -7.486 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.211 -6.604 -7.006 1.00 0.00 H new ATOM 450 N CYS A 37 -0.073 -3.483 -1.865 1.00 0.00 N ATOM 451 CA CYS A 37 0.853 -4.253 -0.927 1.00 0.00 C ATOM 452 C CYS A 37 0.184 -5.540 -0.416 1.00 0.00 C ATOM 453 O CYS A 37 -1.031 -5.580 -0.297 1.00 0.00 O ATOM 454 CB CYS A 37 1.140 -3.336 0.281 1.00 0.00 C ATOM 455 SG CYS A 37 1.686 -1.647 -0.071 1.00 0.00 S ATOM 0 H CYS A 37 -0.974 -3.254 -1.445 1.00 0.00 H new ATOM 0 HA CYS A 37 1.763 -4.531 -1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.234 -3.279 0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.902 -3.816 0.895 1.00 0.00 H new ATOM 460 N ALA A 38 1.035 -6.536 -0.107 1.00 0.00 N ATOM 461 CA ALA A 38 0.595 -7.893 0.412 1.00 0.00 C ATOM 462 C ALA A 38 0.562 -7.899 1.950 1.00 0.00 C ATOM 463 O ALA A 38 1.605 -7.730 2.570 1.00 0.00 O ATOM 464 CB ALA A 38 1.644 -8.935 -0.060 1.00 0.00 C ATOM 0 H ALA A 38 2.047 -6.448 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.403 -8.124 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.359 -9.925 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.688 -8.940 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.623 -8.673 0.341 1.00 0.00 H new ATOM 470 N ILE A 39 -0.642 -8.080 2.512 1.00 0.00 N ATOM 471 CA ILE A 39 -0.843 -8.114 4.016 1.00 0.00 C ATOM 472 C ILE A 39 -0.409 -9.526 4.435 1.00 0.00 C ATOM 473 O ILE A 39 -0.668 -10.456 3.694 1.00 0.00 O ATOM 474 CB ILE A 39 -2.409 -7.858 4.368 1.00 0.00 C ATOM 475 CG1 ILE A 39 -2.972 -6.424 3.851 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.764 -8.131 5.935 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.632 -5.145 4.702 1.00 0.00 C ATOM 0 H ILE A 39 -1.500 -8.207 1.976 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.273 -7.345 4.537 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.948 -8.610 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.596 -6.262 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.057 -6.498 3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.824 -7.943 6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.534 -9.167 6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.171 -7.466 6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.075 -4.267 4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.035 -5.260 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.550 -5.021 4.756 1.00 0.00 H new ATOM 489 N LEU A 40 0.263 -9.605 5.592 1.00 0.00 N ATOM 490 CA LEU A 40 0.785 -10.903 6.198 1.00 0.00 C ATOM 491 C LEU A 40 0.271 -10.899 7.655 1.00 0.00 C ATOM 492 O LEU A 40 -0.506 -10.015 7.986 1.00 0.00 O ATOM 493 CB LEU A 40 2.392 -10.977 6.192 1.00 0.00 C ATOM 494 CG LEU A 40 3.183 -10.579 4.815 1.00 0.00 C ATOM 495 CD1 LEU A 40 4.716 -10.224 5.116 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.079 -11.709 3.685 1.00 0.00 C ATOM 0 H LEU A 40 0.476 -8.785 6.159 1.00 0.00 H new ATOM 0 HA LEU A 40 0.441 -11.762 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.758 -10.325 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.679 -11.994 6.458 1.00 0.00 H new ATOM 0 HG LEU A 40 2.685 -9.693 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.219 -9.963 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.766 -9.380 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.208 -11.087 5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.623 -11.387 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.511 -12.638 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.032 -11.873 3.430 1.00 0.00 H new ATOM 508 N ALA A 41 0.677 -11.895 8.456 1.00 0.00 N ATOM 509 CA ALA A 41 0.247 -12.009 9.904 1.00 0.00 C ATOM 510 C ALA A 41 0.747 -10.830 10.749 1.00 0.00 C ATOM 511 O ALA A 41 -0.015 -10.276 11.526 1.00 0.00 O ATOM 512 CB ALA A 41 0.854 -13.298 10.476 1.00 0.00 C ATOM 0 H ALA A 41 1.300 -12.642 8.150 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.842 -12.013 9.939 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.560 -13.406 11.520 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.492 -14.154 9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.941 -13.250 10.408 1.00 0.00 H new ATOM 518 N ASP A 42 2.008 -10.466 10.516 1.00 0.00 N ATOM 519 CA ASP A 42 2.682 -9.317 11.250 1.00 0.00 C ATOM 520 C ASP A 42 2.141 -7.938 10.763 1.00 0.00 C ATOM 521 O ASP A 42 2.240 -6.953 11.481 1.00 0.00 O ATOM 522 CB ASP A 42 4.222 -9.412 11.041 1.00 0.00 C ATOM 523 CG ASP A 42 4.589 -9.779 9.600 1.00 0.00 C ATOM 524 OD1 ASP A 42 4.535 -8.889 8.781 1.00 0.00 O ATOM 525 OD2 ASP A 42 4.903 -10.941 9.404 1.00 0.00 O ATOM 0 H ASP A 42 2.608 -10.928 9.833 1.00 0.00 H new ATOM 0 HA ASP A 42 2.454 -9.395 12.313 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.681 -8.458 11.299 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.634 -10.158 11.720 1.00 0.00 H new ATOM 530 N GLY A 43 1.585 -7.925 9.547 1.00 0.00 N ATOM 531 CA GLY A 43 1.000 -6.681 8.916 1.00 0.00 C ATOM 532 C GLY A 43 2.020 -5.638 8.421 1.00 0.00 C ATOM 533 O GLY A 43 1.664 -4.469 8.374 1.00 0.00 O ATOM 0 H GLY A 43 1.516 -8.754 8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.378 -6.982 8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.343 -6.203 9.642 1.00 0.00 H new ATOM 537 N ARG A 44 3.229 -6.083 8.056 1.00 0.00 N ATOM 538 CA ARG A 44 4.315 -5.141 7.543 1.00 0.00 C ATOM 539 C ARG A 44 3.938 -4.734 6.109 1.00 0.00 C ATOM 540 O ARG A 44 3.361 -5.543 5.403 1.00 0.00 O ATOM 541 CB ARG A 44 5.686 -5.892 7.464 1.00 0.00 C ATOM 542 CG ARG A 44 6.354 -6.170 8.877 1.00 0.00 C ATOM 543 CD ARG A 44 7.384 -5.094 9.352 1.00 0.00 C ATOM 544 NE ARG A 44 7.636 -5.326 10.802 1.00 0.00 N ATOM 545 CZ ARG A 44 8.211 -4.393 11.511 1.00 0.00 C ATOM 546 NH1 ARG A 44 9.505 -4.246 11.430 1.00 0.00 N ATOM 547 NH2 ARG A 44 7.473 -3.639 12.282 1.00 0.00 N ATOM 0 H ARG A 44 3.508 -7.063 8.093 1.00 0.00 H new ATOM 0 HA ARG A 44 4.398 -4.283 8.210 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.539 -6.842 6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.375 -5.305 6.857 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.565 -6.249 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.855 -7.137 8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.311 -5.173 8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.994 -4.090 9.186 1.00 0.00 H new ATOM 0 HE ARG A 44 7.361 -6.207 11.237 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.050 -4.855 10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.971 -3.522 11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.464 -3.784 12.323 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.906 -2.905 12.843 1.00 0.00 H new ATOM 561 N GLY A 45 4.292 -3.509 5.731 1.00 0.00 N ATOM 562 CA GLY A 45 3.987 -2.955 4.352 1.00 0.00 C ATOM 563 C GLY A 45 4.929 -3.465 3.242 1.00 0.00 C ATOM 564 O GLY A 45 5.692 -2.667 2.720 1.00 0.00 O ATOM 0 H GLY A 45 4.791 -2.857 6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.961 -3.212 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.044 -1.867 4.389 1.00 0.00 H new ATOM 568 N ALA A 46 4.816 -4.755 2.890 1.00 0.00 N ATOM 569 CA ALA A 46 5.675 -5.381 1.814 1.00 0.00 C ATOM 570 C ALA A 46 5.049 -5.038 0.449 1.00 0.00 C ATOM 571 O ALA A 46 4.052 -5.637 0.085 1.00 0.00 O ATOM 572 CB ALA A 46 5.683 -6.915 2.053 1.00 0.00 C ATOM 0 H ALA A 46 4.151 -5.399 3.317 1.00 0.00 H new ATOM 0 HA ALA A 46 6.699 -5.009 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.295 -7.399 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.095 -7.127 3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.664 -7.297 1.996 1.00 0.00 H new ATOM 578 N CYS A 47 5.620 -4.007 -0.228 1.00 0.00 N ATOM 579 CA CYS A 47 5.120 -3.533 -1.592 1.00 0.00 C ATOM 580 C CYS A 47 6.286 -3.292 -2.551 1.00 0.00 C ATOM 581 O CYS A 47 7.351 -2.873 -2.120 1.00 0.00 O ATOM 582 CB CYS A 47 4.344 -2.187 -1.433 1.00 0.00 C ATOM 583 SG CYS A 47 3.686 -1.705 0.190 1.00 0.00 S ATOM 0 H CYS A 47 6.419 -3.479 0.124 1.00 0.00 H new ATOM 0 HA CYS A 47 4.470 -4.310 -1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.008 -1.389 -1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.505 -2.212 -2.129 1.00 0.00 H new ATOM 588 N ASN A 48 6.017 -3.570 -3.836 1.00 0.00 N ATOM 589 CA ASN A 48 7.031 -3.400 -4.946 1.00 0.00 C ATOM 590 C ASN A 48 7.029 -1.927 -5.414 1.00 0.00 C ATOM 591 O ASN A 48 5.981 -1.396 -5.738 1.00 0.00 O ATOM 592 CB ASN A 48 6.601 -4.350 -6.088 1.00 0.00 C ATOM 593 CG ASN A 48 7.385 -4.077 -7.386 1.00 0.00 C ATOM 594 OD1 ASN A 48 8.599 -3.974 -7.403 1.00 0.00 O ATOM 595 ND2 ASN A 48 6.727 -3.988 -8.508 1.00 0.00 N ATOM 0 H ASN A 48 5.112 -3.915 -4.156 1.00 0.00 H new ATOM 0 HA ASN A 48 8.042 -3.641 -4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.758 -5.384 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.534 -4.232 -6.276 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.229 -3.834 -9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.710 -4.072 -8.511 1.00 0.00 H new ATOM 602 N VAL A 49 8.218 -1.328 -5.426 1.00 0.00 N ATOM 603 CA VAL A 49 8.423 0.122 -5.846 1.00 0.00 C ATOM 604 C VAL A 49 8.116 0.468 -7.342 1.00 0.00 C ATOM 605 O VAL A 49 7.758 1.593 -7.603 1.00 0.00 O ATOM 606 CB VAL A 49 9.951 0.556 -5.501 1.00 0.00 C ATOM 607 CG1 VAL A 49 10.117 0.965 -3.964 1.00 0.00 C ATOM 608 CG2 VAL A 49 11.040 -0.545 -5.929 1.00 0.00 C ATOM 0 H VAL A 49 9.081 -1.799 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 49 7.683 0.685 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 49 10.151 1.437 -6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.152 1.249 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.462 1.807 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.850 0.118 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 49 12.037 -0.190 -5.670 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.839 -1.479 -5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.983 -0.714 -7.004 1.00 0.00 H new ATOM 618 N ALA A 50 8.189 -0.504 -8.246 1.00 0.00 N ATOM 619 CA ALA A 50 7.917 -0.253 -9.741 1.00 0.00 C ATOM 620 C ALA A 50 6.464 0.106 -10.176 1.00 0.00 C ATOM 621 O ALA A 50 6.304 0.592 -11.285 1.00 0.00 O ATOM 622 CB ALA A 50 8.288 -1.534 -10.507 1.00 0.00 C ATOM 0 H ALA A 50 8.426 -1.470 -8.021 1.00 0.00 H new ATOM 0 HA ALA A 50 8.512 0.632 -9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.106 -1.387 -11.572 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.342 -1.761 -10.347 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.679 -2.363 -10.146 1.00 0.00 H new ATOM 628 N GLU A 51 5.481 -0.079 -9.297 1.00 0.00 N ATOM 629 CA GLU A 51 4.005 0.228 -9.608 1.00 0.00 C ATOM 630 C GLU A 51 3.633 1.734 -9.496 1.00 0.00 C ATOM 631 O GLU A 51 2.536 2.111 -9.892 1.00 0.00 O ATOM 632 CB GLU A 51 3.112 -0.568 -8.574 1.00 0.00 C ATOM 633 CG GLU A 51 3.426 -2.097 -8.504 1.00 0.00 C ATOM 634 CD GLU A 51 2.317 -2.792 -7.720 1.00 0.00 C ATOM 635 OE1 GLU A 51 2.457 -2.813 -6.508 1.00 0.00 O ATOM 636 OE2 GLU A 51 1.404 -3.273 -8.371 1.00 0.00 O ATOM 0 H GLU A 51 5.635 -0.437 -8.355 1.00 0.00 H new ATOM 0 HA GLU A 51 3.832 -0.068 -10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.248 -0.134 -7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.063 -0.435 -8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.496 -2.514 -9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.390 -2.263 -8.022 1.00 0.00 H new ATOM 643 N PHE A 52 4.572 2.550 -9.031 1.00 0.00 N ATOM 644 CA PHE A 52 4.345 4.053 -8.862 1.00 0.00 C ATOM 645 C PHE A 52 4.170 4.841 -10.181 1.00 0.00 C ATOM 646 O PHE A 52 4.455 4.323 -11.251 1.00 0.00 O ATOM 647 CB PHE A 52 5.562 4.638 -8.073 1.00 0.00 C ATOM 648 CG PHE A 52 6.735 5.221 -9.009 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.579 4.355 -9.757 1.00 0.00 C ATOM 650 CD2 PHE A 52 7.057 6.611 -9.054 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.654 4.848 -10.468 1.00 0.00 C ATOM 652 CE2 PHE A 52 8.142 7.061 -9.781 1.00 0.00 C ATOM 653 CZ PHE A 52 8.932 6.187 -10.479 1.00 0.00 C ATOM 0 H PHE A 52 5.503 2.238 -8.756 1.00 0.00 H new ATOM 0 HA PHE A 52 3.401 4.168 -8.329 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.207 5.433 -7.417 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.976 3.858 -7.434 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.375 3.294 -9.769 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.446 7.319 -8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.284 4.168 -11.023 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.370 8.116 -9.799 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.778 6.556 -11.040 1.00 0.00 H new ATOM 663 N HIS A 53 3.677 6.071 -10.014 1.00 0.00 N ATOM 664 CA HIS A 53 3.418 7.045 -11.145 1.00 0.00 C ATOM 665 C HIS A 53 3.694 8.454 -10.604 1.00 0.00 C ATOM 666 O HIS A 53 4.607 9.095 -11.084 1.00 0.00 O ATOM 667 CB HIS A 53 1.945 6.916 -11.619 1.00 0.00 C ATOM 668 CG HIS A 53 1.835 5.824 -12.705 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.663 4.584 -12.450 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.879 5.918 -14.094 1.00 0.00 C ATOM 671 CE1 HIS A 53 1.599 3.936 -13.563 1.00 0.00 C ATOM 672 NE2 HIS A 53 1.727 4.707 -14.627 1.00 0.00 N ATOM 0 H HIS A 53 3.436 6.447 -9.097 1.00 0.00 H new ATOM 0 HA HIS A 53 4.062 6.838 -12.000 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.303 6.667 -10.774 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.596 7.870 -12.014 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.015 6.832 -14.653 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.455 2.867 -13.619 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.713 4.441 -15.612 1.00 0.00 H new ATOM 679 N ASP A 54 2.920 8.845 -9.584 1.00 0.00 N ATOM 680 CA ASP A 54 3.023 10.198 -8.890 1.00 0.00 C ATOM 681 C ASP A 54 2.872 11.444 -9.834 1.00 0.00 C ATOM 682 O ASP A 54 3.794 11.811 -10.553 1.00 0.00 O ATOM 683 CB ASP A 54 4.347 10.263 -8.038 1.00 0.00 C ATOM 684 CG ASP A 54 4.197 11.316 -6.931 1.00 0.00 C ATOM 685 OD1 ASP A 54 4.534 12.455 -7.213 1.00 0.00 O ATOM 686 OD2 ASP A 54 3.772 10.919 -5.857 1.00 0.00 O ATOM 0 H ASP A 54 2.190 8.250 -9.192 1.00 0.00 H new ATOM 0 HA ASP A 54 2.158 10.266 -8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.557 9.287 -7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.192 10.513 -8.679 1.00 0.00 H new ATOM 691 N PHE A 55 1.660 12.027 -9.846 1.00 0.00 N ATOM 692 CA PHE A 55 1.319 13.253 -10.698 1.00 0.00 C ATOM 693 C PHE A 55 0.092 13.958 -10.086 1.00 0.00 C ATOM 694 O PHE A 55 -0.753 13.309 -9.484 1.00 0.00 O ATOM 695 CB PHE A 55 1.056 12.911 -12.234 1.00 0.00 C ATOM 696 CG PHE A 55 -0.395 12.323 -12.535 1.00 0.00 C ATOM 697 CD1 PHE A 55 -0.798 11.073 -12.009 1.00 0.00 C ATOM 698 CD2 PHE A 55 -1.346 13.008 -13.344 1.00 0.00 C ATOM 699 CE1 PHE A 55 -2.049 10.570 -12.265 1.00 0.00 C ATOM 700 CE2 PHE A 55 -2.587 12.464 -13.581 1.00 0.00 C ATOM 701 CZ PHE A 55 -2.935 11.256 -13.048 1.00 0.00 C ATOM 0 H PHE A 55 0.877 11.691 -9.285 1.00 0.00 H new ATOM 0 HA PHE A 55 2.189 13.910 -10.687 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.199 13.815 -12.825 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.804 12.191 -12.567 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.111 10.507 -11.397 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.090 13.964 -13.776 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.337 9.619 -11.842 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.295 12.999 -14.196 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.913 10.842 -13.246 1.00 0.00 H new ATOM 711 N SER A 56 0.060 15.282 -10.246 1.00 0.00 N ATOM 712 CA SER A 56 -1.062 16.149 -9.710 1.00 0.00 C ATOM 713 C SER A 56 -2.393 15.956 -10.455 1.00 0.00 C ATOM 714 O SER A 56 -2.411 15.439 -11.553 1.00 0.00 O ATOM 715 CB SER A 56 -0.615 17.615 -9.882 1.00 0.00 C ATOM 716 OG SER A 56 -0.944 17.943 -11.224 1.00 0.00 O ATOM 0 H SER A 56 0.785 15.804 -10.738 1.00 0.00 H new ATOM 0 HA SER A 56 -1.242 15.872 -8.671 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.129 18.270 -9.178 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.454 17.726 -9.699 1.00 0.00 H new ATOM 0 HG SER A 56 -0.687 18.871 -11.406 1.00 0.00 H new ATOM 722 N LEU A 57 -3.460 16.465 -9.842 1.00 0.00 N ATOM 723 CA LEU A 57 -4.858 16.369 -10.431 1.00 0.00 C ATOM 724 C LEU A 57 -5.031 17.447 -11.517 1.00 0.00 C ATOM 725 O LEU A 57 -4.389 18.491 -11.467 1.00 0.00 O ATOM 726 CB LEU A 57 -5.927 16.706 -9.306 1.00 0.00 C ATOM 727 CG LEU A 57 -5.856 15.872 -7.905 1.00 0.00 C ATOM 728 CD1 LEU A 57 -7.059 16.292 -6.943 1.00 0.00 C ATOM 729 CD2 LEU A 57 -5.803 14.279 -8.085 1.00 0.00 C ATOM 0 H LEU A 57 -3.418 16.950 -8.945 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.996 15.365 -10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.838 17.766 -9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.919 16.557 -9.733 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.905 16.145 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.996 15.726 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.995 17.358 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.009 16.079 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.757 13.803 -7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.697 13.942 -8.610 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.919 14.007 -8.662 1.00 0.00 H new ATOM 741 N SER A 58 -5.891 17.125 -12.489 1.00 0.00 N ATOM 742 CA SER A 58 -6.203 18.040 -13.645 1.00 0.00 C ATOM 743 C SER A 58 -7.062 19.228 -13.206 1.00 0.00 C ATOM 744 O SER A 58 -6.953 20.314 -13.758 1.00 0.00 O ATOM 745 CB SER A 58 -6.995 17.205 -14.672 1.00 0.00 C ATOM 746 OG SER A 58 -7.391 18.137 -15.668 1.00 0.00 O ATOM 0 H SER A 58 -6.396 16.239 -12.518 1.00 0.00 H new ATOM 0 HA SER A 58 -5.277 18.437 -14.059 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.380 16.411 -15.095 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.859 16.727 -14.211 1.00 0.00 H new ATOM 0 HG SER A 58 -7.904 17.674 -16.364 1.00 0.00 H new ATOM 752 N GLY A 59 -7.881 18.968 -12.213 1.00 0.00 N ATOM 753 CA GLY A 59 -8.806 19.997 -11.636 1.00 0.00 C ATOM 754 C GLY A 59 -9.571 19.392 -10.455 1.00 0.00 C ATOM 755 O GLY A 59 -9.898 20.108 -9.521 1.00 0.00 O ATOM 0 H GLY A 59 -7.948 18.054 -11.765 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.239 20.868 -11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.505 20.341 -12.398 1.00 0.00 H new ATOM 759 N GLY A 60 -9.825 18.087 -10.539 1.00 0.00 N ATOM 760 CA GLY A 60 -10.570 17.355 -9.448 1.00 0.00 C ATOM 761 C GLY A 60 -10.762 15.862 -9.778 1.00 0.00 C ATOM 762 O GLY A 60 -11.643 15.251 -9.199 1.00 0.00 O ATOM 0 H GLY A 60 -9.543 17.501 -11.325 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.024 17.451 -8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.544 17.821 -9.299 1.00 0.00 H new ATOM 766 N GLU A 61 -9.953 15.337 -10.727 1.00 0.00 N ATOM 767 CA GLU A 61 -9.997 13.870 -11.189 1.00 0.00 C ATOM 768 C GLU A 61 -8.542 13.456 -11.460 1.00 0.00 C ATOM 769 O GLU A 61 -7.691 14.326 -11.512 1.00 0.00 O ATOM 770 CB GLU A 61 -10.777 13.693 -12.556 1.00 0.00 C ATOM 771 CG GLU A 61 -12.159 14.391 -12.628 1.00 0.00 C ATOM 772 CD GLU A 61 -12.934 13.818 -13.816 1.00 0.00 C ATOM 773 OE1 GLU A 61 -12.653 14.269 -14.915 1.00 0.00 O ATOM 774 OE2 GLU A 61 -13.763 12.961 -13.559 1.00 0.00 O ATOM 0 H GLU A 61 -9.244 15.889 -11.211 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.497 13.277 -10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.153 14.076 -13.363 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.917 12.628 -12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.712 14.231 -11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.034 15.468 -12.742 1.00 0.00 H new ATOM 781 N GLY A 62 -8.293 12.148 -11.604 1.00 0.00 N ATOM 782 CA GLY A 62 -6.894 11.640 -11.874 1.00 0.00 C ATOM 783 C GLY A 62 -6.875 10.124 -12.133 1.00 0.00 C ATOM 784 O GLY A 62 -6.365 9.375 -11.314 1.00 0.00 O ATOM 0 H GLY A 62 -9.005 11.420 -11.544 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.479 12.161 -12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.253 11.871 -11.023 1.00 0.00 H new ATOM 788 N THR A 63 -7.410 9.746 -13.291 1.00 0.00 N ATOM 789 CA THR A 63 -7.488 8.301 -13.736 1.00 0.00 C ATOM 790 C THR A 63 -6.081 7.832 -14.169 1.00 0.00 C ATOM 791 O THR A 63 -5.300 8.657 -14.616 1.00 0.00 O ATOM 792 CB THR A 63 -8.440 8.294 -14.979 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.497 9.158 -14.614 1.00 0.00 O ATOM 794 CG2 THR A 63 -9.175 6.949 -15.279 1.00 0.00 C ATOM 0 H THR A 63 -7.806 10.403 -13.963 1.00 0.00 H new ATOM 0 HA THR A 63 -7.848 7.645 -12.944 1.00 0.00 H new ATOM 0 HB THR A 63 -7.825 8.541 -15.845 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.144 9.211 -15.348 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.804 7.067 -16.161 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.440 6.165 -15.460 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.795 6.675 -14.425 1.00 0.00 H new ATOM 802 N THR A 64 -5.801 6.525 -13.988 1.00 0.00 N ATOM 803 CA THR A 64 -4.439 5.911 -14.374 1.00 0.00 C ATOM 804 C THR A 64 -4.487 4.361 -14.492 1.00 0.00 C ATOM 805 O THR A 64 -5.083 3.705 -13.650 1.00 0.00 O ATOM 806 CB THR A 64 -3.288 6.306 -13.355 1.00 0.00 C ATOM 807 OG1 THR A 64 -2.179 5.527 -13.757 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.470 5.863 -11.862 1.00 0.00 C ATOM 0 H THR A 64 -6.460 5.857 -13.588 1.00 0.00 H new ATOM 0 HA THR A 64 -4.213 6.331 -15.354 1.00 0.00 H new ATOM 0 HB THR A 64 -3.231 7.394 -13.381 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.417 5.716 -13.171 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.613 6.197 -11.276 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.380 6.307 -11.459 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.543 4.777 -11.811 1.00 0.00 H new ATOM 816 N SER A 65 -3.835 3.846 -15.557 1.00 0.00 N ATOM 817 CA SER A 65 -3.756 2.363 -15.853 1.00 0.00 C ATOM 818 C SER A 65 -2.603 1.724 -15.056 1.00 0.00 C ATOM 819 O SER A 65 -1.523 2.295 -15.050 1.00 0.00 O ATOM 820 CB SER A 65 -3.428 2.208 -17.348 1.00 0.00 C ATOM 821 OG SER A 65 -2.890 0.898 -17.449 1.00 0.00 O ATOM 0 H SER A 65 -3.347 4.424 -16.241 1.00 0.00 H new ATOM 0 HA SER A 65 -4.697 1.883 -15.585 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.319 2.322 -17.966 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.712 2.960 -17.679 1.00 0.00 H new ATOM 0 HG SER A 65 -2.652 0.713 -18.382 1.00 0.00 H new ATOM 827 N VAL A 66 -2.892 0.582 -14.384 1.00 0.00 N ATOM 828 CA VAL A 66 -1.874 -0.208 -13.528 1.00 0.00 C ATOM 829 C VAL A 66 -1.947 -1.690 -13.994 1.00 0.00 C ATOM 830 O VAL A 66 -3.023 -2.148 -14.350 1.00 0.00 O ATOM 831 CB VAL A 66 -2.243 -0.146 -11.939 1.00 0.00 C ATOM 832 CG1 VAL A 66 -0.981 -0.455 -10.983 1.00 0.00 C ATOM 833 CG2 VAL A 66 -2.921 1.234 -11.526 1.00 0.00 C ATOM 0 H VAL A 66 -3.819 0.157 -14.397 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.881 0.223 -13.656 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.971 -0.943 -11.787 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.292 -0.398 -9.940 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.601 -1.454 -11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.196 0.279 -11.168 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.147 1.224 -10.460 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.238 2.055 -11.745 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.843 1.370 -12.091 1.00 0.00 H new ATOM 843 N VAL A 67 -0.764 -2.348 -13.998 1.00 0.00 N ATOM 844 CA VAL A 67 -0.565 -3.811 -14.407 1.00 0.00 C ATOM 845 C VAL A 67 -0.158 -4.504 -13.088 1.00 0.00 C ATOM 846 O VAL A 67 0.665 -3.942 -12.381 1.00 0.00 O ATOM 847 CB VAL A 67 0.605 -3.882 -15.531 1.00 0.00 C ATOM 848 CG1 VAL A 67 1.244 -5.352 -15.723 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.074 -3.320 -16.932 1.00 0.00 C ATOM 0 H VAL A 67 0.107 -1.897 -13.718 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.442 -4.286 -14.847 1.00 0.00 H new ATOM 0 HB VAL A 67 1.411 -3.249 -15.160 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.017 -5.315 -16.490 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.682 -5.684 -14.782 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.464 -6.051 -16.027 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.872 -3.376 -17.672 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.774 -3.918 -17.266 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.239 -2.283 -16.813 1.00 0.00 H new ATOM 859 N VAL A 68 -0.788 -5.672 -12.793 1.00 0.00 N ATOM 860 CA VAL A 68 -0.505 -6.494 -11.520 1.00 0.00 C ATOM 861 C VAL A 68 -0.271 -8.007 -11.857 1.00 0.00 C ATOM 862 O VAL A 68 -1.063 -8.618 -12.559 1.00 0.00 O ATOM 863 CB VAL A 68 -1.687 -6.291 -10.407 1.00 0.00 C ATOM 864 CG1 VAL A 68 -1.864 -4.753 -10.011 1.00 0.00 C ATOM 865 CG2 VAL A 68 -3.100 -6.939 -10.815 1.00 0.00 C ATOM 0 H VAL A 68 -1.496 -6.089 -13.397 1.00 0.00 H new ATOM 0 HA VAL A 68 0.419 -6.118 -11.080 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.346 -6.845 -9.533 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.658 -4.657 -9.270 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.931 -4.375 -9.594 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.125 -4.176 -10.899 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.826 -6.758 -10.022 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.454 -6.486 -11.741 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.980 -8.013 -10.959 1.00 0.00 H new ATOM 875 N ARG A 69 0.884 -8.518 -11.382 1.00 0.00 N ATOM 876 CA ARG A 69 1.338 -9.961 -11.572 1.00 0.00 C ATOM 877 C ARG A 69 0.813 -10.801 -10.393 1.00 0.00 C ATOM 878 O ARG A 69 0.530 -10.246 -9.344 1.00 0.00 O ATOM 879 CB ARG A 69 2.917 -10.019 -11.535 1.00 0.00 C ATOM 880 CG ARG A 69 3.706 -9.019 -12.486 1.00 0.00 C ATOM 881 CD ARG A 69 3.311 -9.035 -13.998 1.00 0.00 C ATOM 882 NE ARG A 69 4.456 -8.491 -14.790 1.00 0.00 N ATOM 883 CZ ARG A 69 4.229 -7.896 -15.931 1.00 0.00 C ATOM 884 NH1 ARG A 69 3.691 -8.579 -16.906 1.00 0.00 N ATOM 885 NH2 ARG A 69 4.554 -6.640 -16.061 1.00 0.00 N ATOM 0 H ARG A 69 1.550 -7.959 -10.849 1.00 0.00 H new ATOM 0 HA ARG A 69 0.963 -10.340 -12.523 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.237 -9.833 -10.510 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.223 -11.035 -11.785 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.566 -8.006 -12.108 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.770 -9.243 -12.409 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.077 -10.050 -14.318 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.416 -8.434 -14.163 1.00 0.00 H new ATOM 0 HE ARG A 69 5.410 -8.584 -14.441 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.455 -9.562 -16.770 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.507 -8.129 -17.803 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.978 -6.139 -15.280 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.385 -6.158 -16.944 1.00 0.00 H new ATOM 899 N ARG A 70 0.731 -12.123 -10.608 1.00 0.00 N ATOM 900 CA ARG A 70 0.234 -13.104 -9.550 1.00 0.00 C ATOM 901 C ARG A 70 1.245 -13.260 -8.371 1.00 0.00 C ATOM 902 O ARG A 70 0.824 -13.610 -7.281 1.00 0.00 O ATOM 903 CB ARG A 70 0.073 -14.490 -10.283 1.00 0.00 C ATOM 904 CG ARG A 70 -1.037 -15.463 -9.663 1.00 0.00 C ATOM 905 CD ARG A 70 -0.836 -16.964 -10.048 1.00 0.00 C ATOM 906 NE ARG A 70 -0.600 -17.140 -11.514 1.00 0.00 N ATOM 907 CZ ARG A 70 -0.628 -18.340 -12.027 1.00 0.00 C ATOM 908 NH1 ARG A 70 0.468 -19.049 -12.030 1.00 0.00 N ATOM 909 NH2 ARG A 70 -1.748 -18.791 -12.518 1.00 0.00 N ATOM 0 H ARG A 70 0.993 -12.565 -11.489 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.700 -12.743 -9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.173 -14.304 -11.328 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.034 -15.005 -10.268 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.024 -15.370 -8.577 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.022 -15.139 -9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.010 -17.370 -9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -1.716 -17.535 -9.751 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.419 -16.330 -12.107 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.326 -18.663 -11.636 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.466 -19.989 -12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.585 -18.208 -12.498 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.787 -19.726 -12.923 1.00 0.00 H new ATOM 923 N SER A 71 2.532 -13.013 -8.657 1.00 0.00 N ATOM 924 CA SER A 71 3.666 -13.113 -7.639 1.00 0.00 C ATOM 925 C SER A 71 4.699 -12.030 -7.930 1.00 0.00 C ATOM 926 O SER A 71 4.882 -11.692 -9.086 1.00 0.00 O ATOM 927 CB SER A 71 4.341 -14.482 -7.803 1.00 0.00 C ATOM 928 OG SER A 71 4.150 -14.800 -9.174 1.00 0.00 O ATOM 0 H SER A 71 2.848 -12.737 -9.587 1.00 0.00 H new ATOM 0 HA SER A 71 3.274 -12.992 -6.629 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.400 -14.438 -7.548 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.888 -15.230 -7.153 1.00 0.00 H new ATOM 0 HG SER A 71 4.558 -15.670 -9.368 1.00 0.00 H new ATOM 934 N PHE A 72 5.323 -11.497 -6.863 1.00 0.00 N ATOM 935 CA PHE A 72 6.374 -10.401 -7.010 1.00 0.00 C ATOM 936 C PHE A 72 7.314 -10.346 -5.803 1.00 0.00 C ATOM 937 O PHE A 72 6.905 -10.671 -4.697 1.00 0.00 O ATOM 938 CB PHE A 72 5.656 -9.000 -7.182 1.00 0.00 C ATOM 939 CG PHE A 72 4.367 -8.835 -6.224 1.00 0.00 C ATOM 940 CD1 PHE A 72 4.487 -8.412 -4.866 1.00 0.00 C ATOM 941 CD2 PHE A 72 3.041 -9.115 -6.674 1.00 0.00 C ATOM 942 CE1 PHE A 72 3.376 -8.296 -4.058 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.961 -8.984 -5.828 1.00 0.00 C ATOM 944 CZ PHE A 72 2.128 -8.581 -4.535 1.00 0.00 C ATOM 0 H PHE A 72 5.143 -11.780 -5.900 1.00 0.00 H new ATOM 0 HA PHE A 72 6.974 -10.630 -7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.368 -8.203 -6.966 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.349 -8.880 -8.221 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.463 -8.179 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.882 -9.434 -7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.494 -7.975 -3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.969 -9.203 -6.193 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.270 -8.487 -3.886 1.00 0.00 H new ATOM 954 N THR A 73 8.558 -9.940 -6.092 1.00 0.00 N ATOM 955 CA THR A 73 9.640 -9.807 -5.065 1.00 0.00 C ATOM 956 C THR A 73 9.313 -8.599 -4.168 1.00 0.00 C ATOM 957 O THR A 73 9.537 -7.463 -4.566 1.00 0.00 O ATOM 958 CB THR A 73 10.969 -9.603 -5.875 1.00 0.00 C ATOM 959 OG1 THR A 73 11.256 -10.894 -6.377 1.00 0.00 O ATOM 960 CG2 THR A 73 12.265 -9.260 -5.052 1.00 0.00 C ATOM 0 H THR A 73 8.857 -9.692 -7.035 1.00 0.00 H new ATOM 0 HA THR A 73 9.733 -10.676 -4.413 1.00 0.00 H new ATOM 0 HB THR A 73 10.788 -8.776 -6.561 1.00 0.00 H new ATOM 0 HG1 THR A 73 12.081 -10.864 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.109 -9.145 -5.733 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.112 -8.330 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.473 -10.066 -4.349 1.00 0.00 H new ATOM 968 N GLY A 74 8.781 -8.906 -2.986 1.00 0.00 N ATOM 969 CA GLY A 74 8.396 -7.855 -1.974 1.00 0.00 C ATOM 970 C GLY A 74 9.644 -7.181 -1.373 1.00 0.00 C ATOM 971 O GLY A 74 10.697 -7.802 -1.338 1.00 0.00 O ATOM 0 H GLY A 74 8.597 -9.862 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.765 -7.103 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.806 -8.310 -1.179 1.00 0.00 H new ATOM 975 N TYR A 75 9.454 -5.927 -0.941 1.00 0.00 N ATOM 976 CA TYR A 75 10.535 -5.073 -0.317 1.00 0.00 C ATOM 977 C TYR A 75 9.950 -4.328 0.897 1.00 0.00 C ATOM 978 O TYR A 75 9.002 -3.569 0.740 1.00 0.00 O ATOM 979 CB TYR A 75 10.972 -4.076 -1.427 1.00 0.00 C ATOM 980 CG TYR A 75 11.870 -2.876 -0.872 1.00 0.00 C ATOM 981 CD1 TYR A 75 13.235 -3.075 -0.562 1.00 0.00 C ATOM 982 CD2 TYR A 75 11.378 -1.545 -0.738 1.00 0.00 C ATOM 983 CE1 TYR A 75 14.034 -2.022 -0.164 1.00 0.00 C ATOM 984 CE2 TYR A 75 12.211 -0.521 -0.336 1.00 0.00 C ATOM 985 CZ TYR A 75 13.533 -0.750 -0.048 1.00 0.00 C ATOM 986 OH TYR A 75 14.348 0.289 0.355 1.00 0.00 O ATOM 0 H TYR A 75 8.553 -5.453 -1.004 1.00 0.00 H new ATOM 0 HA TYR A 75 11.384 -5.658 0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.530 -4.615 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.084 -3.665 -1.909 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.659 -4.065 -0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.341 -1.335 -0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.075 -2.203 0.061 1.00 0.00 H new ATOM 0 HE2 TYR A 75 11.815 0.480 -0.246 1.00 0.00 H new ATOM 0 HH TYR A 75 13.829 1.120 0.382 1.00 0.00 H new ATOM 996 N VAL A 76 10.557 -4.581 2.070 1.00 0.00 N ATOM 997 CA VAL A 76 10.126 -3.944 3.388 1.00 0.00 C ATOM 998 C VAL A 76 10.542 -2.443 3.332 1.00 0.00 C ATOM 999 O VAL A 76 11.524 -2.114 2.686 1.00 0.00 O ATOM 1000 CB VAL A 76 10.817 -4.658 4.674 1.00 0.00 C ATOM 1001 CG1 VAL A 76 9.893 -4.571 5.994 1.00 0.00 C ATOM 1002 CG2 VAL A 76 11.252 -6.173 4.409 1.00 0.00 C ATOM 0 H VAL A 76 11.349 -5.217 2.162 1.00 0.00 H new ATOM 0 HA VAL A 76 9.049 -4.061 3.508 1.00 0.00 H new ATOM 0 HB VAL A 76 11.729 -4.087 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.399 -5.062 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.714 -3.525 6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.941 -5.067 5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.706 -6.584 5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.374 -6.762 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.973 -6.207 3.592 1.00 0.00 H new ATOM 1012 N MET A 77 9.755 -1.602 3.996 1.00 0.00 N ATOM 1013 CA MET A 77 9.973 -0.095 4.066 1.00 0.00 C ATOM 1014 C MET A 77 11.418 0.476 4.458 1.00 0.00 C ATOM 1015 O MET A 77 11.876 1.258 3.638 1.00 0.00 O ATOM 1016 CB MET A 77 8.743 0.473 4.898 1.00 0.00 C ATOM 1017 CG MET A 77 8.805 1.963 5.389 1.00 0.00 C ATOM 1018 SD MET A 77 9.184 3.299 4.177 1.00 0.00 S ATOM 1019 CE MET A 77 9.565 4.730 5.254 1.00 0.00 C ATOM 0 H MET A 77 8.934 -1.913 4.515 1.00 0.00 H new ATOM 0 HA MET A 77 9.994 0.293 3.048 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.847 0.361 4.287 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.612 -0.161 5.775 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.843 2.198 5.845 1.00 0.00 H new ATOM 0 HG3 MET A 77 9.554 2.016 6.179 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.809 5.595 4.637 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.699 4.959 5.874 1.00 0.00 H new ATOM 0 HE3 MET A 77 10.415 4.489 5.892 1.00 0.00 H new ATOM 1029 N PRO A 78 12.122 0.148 5.620 1.00 0.00 N ATOM 1030 CA PRO A 78 13.486 0.745 5.907 1.00 0.00 C ATOM 1031 C PRO A 78 14.613 0.334 4.908 1.00 0.00 C ATOM 1032 O PRO A 78 15.093 1.222 4.226 1.00 0.00 O ATOM 1033 CB PRO A 78 13.810 0.308 7.360 1.00 0.00 C ATOM 1034 CG PRO A 78 12.863 -0.845 7.699 1.00 0.00 C ATOM 1035 CD PRO A 78 11.673 -0.753 6.734 1.00 0.00 C ATOM 0 HA PRO A 78 13.450 1.827 5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.850 -0.008 7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.671 1.138 8.053 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.371 -1.804 7.593 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.526 -0.775 8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.399 -1.738 6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.793 -0.348 7.235 1.00 0.00 H new ATOM 1043 N ASP A 79 15.001 -0.967 4.847 1.00 0.00 N ATOM 1044 CA ASP A 79 16.100 -1.446 3.894 1.00 0.00 C ATOM 1045 C ASP A 79 16.044 -2.960 3.639 1.00 0.00 C ATOM 1046 O ASP A 79 16.201 -3.367 2.497 1.00 0.00 O ATOM 1047 CB ASP A 79 17.509 -1.150 4.495 1.00 0.00 C ATOM 1048 CG ASP A 79 18.128 0.117 3.884 1.00 0.00 C ATOM 1049 OD1 ASP A 79 18.723 -0.023 2.824 1.00 0.00 O ATOM 1050 OD2 ASP A 79 18.003 1.146 4.526 1.00 0.00 O ATOM 0 H ASP A 79 14.595 -1.706 5.422 1.00 0.00 H new ATOM 0 HA ASP A 79 15.934 -0.910 2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.427 -1.031 5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.168 -2.000 4.317 1.00 0.00 H new ATOM 1055 N GLY A 80 15.826 -3.747 4.698 1.00 0.00 N ATOM 1056 CA GLY A 80 15.758 -5.254 4.563 1.00 0.00 C ATOM 1057 C GLY A 80 15.476 -5.894 5.973 1.00 0.00 C ATOM 1058 O GLY A 80 15.195 -5.108 6.864 1.00 0.00 O ATOM 0 H GLY A 80 15.693 -3.401 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.971 -5.532 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.695 -5.636 4.159 1.00 0.00 H new ATOM 1062 N PRO A 81 15.530 -7.282 6.213 1.00 0.00 N ATOM 1063 CA PRO A 81 15.854 -8.413 5.235 1.00 0.00 C ATOM 1064 C PRO A 81 14.726 -8.664 4.219 1.00 0.00 C ATOM 1065 O PRO A 81 13.564 -8.628 4.598 1.00 0.00 O ATOM 1066 CB PRO A 81 15.985 -9.668 6.125 1.00 0.00 C ATOM 1067 CG PRO A 81 15.399 -9.333 7.505 1.00 0.00 C ATOM 1068 CD PRO A 81 15.240 -7.812 7.592 1.00 0.00 C ATOM 0 HA PRO A 81 16.746 -8.168 4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.454 -10.509 5.679 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.030 -9.963 6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.436 -9.826 7.641 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.056 -9.694 8.296 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.232 -7.543 7.909 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.928 -7.390 8.324 1.00 0.00 H new ATOM 1076 N GLU A 82 15.122 -8.903 2.959 1.00 0.00 N ATOM 1077 CA GLU A 82 14.144 -9.169 1.831 1.00 0.00 C ATOM 1078 C GLU A 82 13.452 -10.544 2.034 1.00 0.00 C ATOM 1079 O GLU A 82 14.103 -11.506 2.432 1.00 0.00 O ATOM 1080 CB GLU A 82 14.982 -9.153 0.487 1.00 0.00 C ATOM 1081 CG GLU A 82 14.172 -8.747 -0.789 1.00 0.00 C ATOM 1082 CD GLU A 82 15.008 -9.114 -2.017 1.00 0.00 C ATOM 1083 OE1 GLU A 82 15.854 -8.303 -2.357 1.00 0.00 O ATOM 1084 OE2 GLU A 82 14.754 -10.183 -2.548 1.00 0.00 O ATOM 0 H GLU A 82 16.100 -8.923 2.672 1.00 0.00 H new ATOM 0 HA GLU A 82 13.358 -8.414 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.817 -8.462 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.408 -10.144 0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.213 -9.265 -0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.957 -7.678 -0.780 1.00 0.00 H new ATOM 1091 N VAL A 83 12.140 -10.554 1.761 1.00 0.00 N ATOM 1092 CA VAL A 83 11.263 -11.791 1.891 1.00 0.00 C ATOM 1093 C VAL A 83 11.418 -12.722 0.675 1.00 0.00 C ATOM 1094 O VAL A 83 11.362 -13.932 0.836 1.00 0.00 O ATOM 1095 CB VAL A 83 9.710 -11.387 2.062 1.00 0.00 C ATOM 1096 CG1 VAL A 83 9.306 -11.255 3.603 1.00 0.00 C ATOM 1097 CG2 VAL A 83 9.262 -10.082 1.246 1.00 0.00 C ATOM 0 H VAL A 83 11.633 -9.728 1.445 1.00 0.00 H new ATOM 0 HA VAL A 83 11.594 -12.322 2.783 1.00 0.00 H new ATOM 0 HB VAL A 83 9.159 -12.215 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.254 -10.982 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.472 -12.208 4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.917 -10.485 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.204 -9.888 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.848 -9.225 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.429 -10.244 0.181 1.00 0.00 H new ATOM 1107 N GLY A 84 11.571 -12.110 -0.489 1.00 0.00 N ATOM 1108 CA GLY A 84 11.740 -12.827 -1.792 1.00 0.00 C ATOM 1109 C GLY A 84 10.374 -13.083 -2.403 1.00 0.00 C ATOM 1110 O GLY A 84 9.388 -12.515 -1.955 1.00 0.00 O ATOM 0 H GLY A 84 11.585 -11.094 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.350 -12.232 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.264 -13.770 -1.636 1.00 0.00 H new ATOM 1114 N ALA A 85 10.396 -13.889 -3.438 1.00 0.00 N ATOM 1115 CA ALA A 85 9.163 -14.287 -4.204 1.00 0.00 C ATOM 1116 C ALA A 85 8.130 -15.041 -3.339 1.00 0.00 C ATOM 1117 O ALA A 85 8.402 -16.155 -2.905 1.00 0.00 O ATOM 1118 CB ALA A 85 9.622 -15.200 -5.360 1.00 0.00 C ATOM 0 H ALA A 85 11.254 -14.306 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 85 8.667 -13.383 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.756 -15.513 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.314 -14.654 -6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.122 -16.079 -4.953 1.00 0.00 H new ATOM 1124 N VAL A 86 7.017 -14.326 -3.051 1.00 0.00 N ATOM 1125 CA VAL A 86 5.854 -14.844 -2.222 1.00 0.00 C ATOM 1126 C VAL A 86 4.539 -14.542 -2.990 1.00 0.00 C ATOM 1127 O VAL A 86 4.388 -13.469 -3.558 1.00 0.00 O ATOM 1128 CB VAL A 86 5.924 -14.178 -0.739 1.00 0.00 C ATOM 1129 CG1 VAL A 86 5.568 -12.615 -0.683 1.00 0.00 C ATOM 1130 CG2 VAL A 86 5.106 -15.018 0.347 1.00 0.00 C ATOM 0 H VAL A 86 6.880 -13.370 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 86 5.898 -15.923 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 86 6.979 -14.232 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.642 -12.262 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.267 -12.060 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.553 -12.460 -1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.185 -14.531 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.058 -15.071 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.516 -16.026 0.412 1.00 0.00 H new ATOM 1140 N ASP A 87 3.655 -15.533 -2.987 1.00 0.00 N ATOM 1141 CA ASP A 87 2.324 -15.425 -3.676 1.00 0.00 C ATOM 1142 C ASP A 87 1.355 -14.654 -2.784 1.00 0.00 C ATOM 1143 O ASP A 87 1.352 -14.873 -1.586 1.00 0.00 O ATOM 1144 CB ASP A 87 1.773 -16.847 -3.852 1.00 0.00 C ATOM 1145 CG ASP A 87 2.496 -17.526 -5.017 1.00 0.00 C ATOM 1146 OD1 ASP A 87 3.585 -18.015 -4.767 1.00 0.00 O ATOM 1147 OD2 ASP A 87 1.918 -17.517 -6.091 1.00 0.00 O ATOM 0 H ASP A 87 3.812 -16.428 -2.523 1.00 0.00 H new ATOM 0 HA ASP A 87 2.436 -14.916 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.915 -17.421 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.701 -16.813 -4.044 1.00 0.00 H new ATOM 1152 N CYS A 88 0.558 -13.794 -3.397 1.00 0.00 N ATOM 1153 CA CYS A 88 -0.452 -12.957 -2.654 1.00 0.00 C ATOM 1154 C CYS A 88 -1.737 -13.741 -2.317 1.00 0.00 C ATOM 1155 O CYS A 88 -2.434 -13.377 -1.393 1.00 0.00 O ATOM 1156 CB CYS A 88 -0.821 -11.791 -3.585 1.00 0.00 C ATOM 1157 SG CYS A 88 -1.382 -10.263 -2.807 1.00 0.00 S ATOM 0 H CYS A 88 0.568 -13.636 -4.405 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.019 -12.630 -1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.050 -11.559 -4.197 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -1.604 -12.133 -4.262 1.00 0.00 H new ATOM 1162 N ASP A 89 -1.986 -14.811 -3.063 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.210 -15.677 -2.860 1.00 0.00 C ATOM 1164 C ASP A 89 -3.172 -16.576 -1.609 1.00 0.00 C ATOM 1165 O ASP A 89 -4.227 -16.862 -1.062 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.289 -16.616 -4.077 1.00 0.00 C ATOM 1167 CG ASP A 89 -3.457 -15.794 -5.361 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -4.600 -15.508 -5.679 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -2.432 -15.510 -5.961 1.00 0.00 O ATOM 0 H ASP A 89 -1.377 -15.124 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.058 -15.004 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.385 -17.222 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.127 -17.304 -3.963 1.00 0.00 H new ATOM 1174 N THR A 90 -1.969 -16.931 -1.160 1.00 0.00 N ATOM 1175 CA THR A 90 -1.786 -17.831 0.066 1.00 0.00 C ATOM 1176 C THR A 90 -1.939 -17.076 1.402 1.00 0.00 C ATOM 1177 O THR A 90 -2.292 -17.709 2.394 1.00 0.00 O ATOM 1178 CB THR A 90 -0.338 -18.433 0.035 1.00 0.00 C ATOM 1179 OG1 THR A 90 0.498 -17.385 -0.389 1.00 0.00 O ATOM 1180 CG2 THR A 90 -0.103 -19.553 -1.030 1.00 0.00 C ATOM 0 H THR A 90 -1.094 -16.634 -1.593 1.00 0.00 H new ATOM 0 HA THR A 90 -2.562 -18.595 0.015 1.00 0.00 H new ATOM 0 HB THR A 90 -0.155 -18.856 1.023 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.425 -17.701 -0.427 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.928 -19.902 -0.970 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.780 -20.386 -0.838 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.293 -19.153 -2.026 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.732 -15.749 1.382 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.852 -14.900 2.653 1.00 0.00 C ATOM 1190 C ALA A 91 -3.350 -14.834 3.196 1.00 0.00 C ATOM 1191 O ALA A 91 -4.224 -14.990 2.355 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.407 -13.459 2.320 1.00 0.00 C ATOM 0 H ALA A 91 -1.487 -15.222 0.544 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.228 -15.358 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.485 -12.839 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.373 -13.468 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.048 -13.052 1.538 1.00 0.00 H new ATOM 1198 N PRO A 92 -3.676 -14.562 4.543 1.00 0.00 N ATOM 1199 CA PRO A 92 -5.115 -14.518 5.005 1.00 0.00 C ATOM 1200 C PRO A 92 -5.884 -13.266 4.525 1.00 0.00 C ATOM 1201 O PRO A 92 -6.967 -13.409 3.979 1.00 0.00 O ATOM 1202 CB PRO A 92 -5.024 -14.496 6.549 1.00 0.00 C ATOM 1203 CG PRO A 92 -3.620 -13.991 6.911 1.00 0.00 C ATOM 1204 CD PRO A 92 -2.725 -14.255 5.695 1.00 0.00 C ATOM 0 HA PRO A 92 -5.663 -15.367 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.789 -13.844 6.971 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.193 -15.492 6.959 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.642 -12.928 7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.238 -14.509 7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -2.104 -13.388 5.470 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.050 -15.091 5.879 1.00 0.00 H new ATOM 1212 N GLY A 93 -5.286 -12.089 4.732 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.912 -10.775 4.323 1.00 0.00 C ATOM 1214 C GLY A 93 -5.899 -10.588 2.805 1.00 0.00 C ATOM 1215 O GLY A 93 -6.834 -10.037 2.248 1.00 0.00 O ATOM 0 H GLY A 93 -4.373 -11.992 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.939 -10.733 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.374 -9.953 4.795 1.00 0.00 H new ATOM 1219 N GLY A 94 -4.799 -11.018 2.203 1.00 0.00 N ATOM 1220 CA GLY A 94 -4.596 -10.922 0.709 1.00 0.00 C ATOM 1221 C GLY A 94 -4.262 -9.488 0.257 1.00 0.00 C ATOM 1222 O GLY A 94 -4.090 -8.600 1.080 1.00 0.00 O ATOM 0 H GLY A 94 -4.016 -11.442 2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.790 -11.592 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.498 -11.261 0.199 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.189 -9.328 -1.060 1.00 0.00 N ATOM 1227 CA CYS A 95 -3.869 -7.991 -1.695 1.00 0.00 C ATOM 1228 C CYS A 95 -5.078 -7.048 -1.596 1.00 0.00 C ATOM 1229 O CYS A 95 -6.202 -7.527 -1.544 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.552 -8.187 -3.201 1.00 0.00 C ATOM 1231 SG CYS A 95 -3.071 -9.821 -3.814 1.00 0.00 S ATOM 0 H CYS A 95 -4.341 -10.082 -1.730 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.014 -7.565 -1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.433 -7.876 -3.762 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.750 -7.495 -3.457 1.00 0.00 H new ATOM 1236 N GLU A 96 -4.779 -5.745 -1.567 1.00 0.00 N ATOM 1237 CA GLU A 96 -5.813 -4.633 -1.474 1.00 0.00 C ATOM 1238 C GLU A 96 -5.203 -3.373 -2.120 1.00 0.00 C ATOM 1239 O GLU A 96 -4.065 -3.049 -1.816 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.064 -4.256 0.040 1.00 0.00 C ATOM 1241 CG GLU A 96 -7.296 -4.920 0.716 1.00 0.00 C ATOM 1242 CD GLU A 96 -7.167 -4.750 2.232 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -7.515 -3.674 2.690 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -6.732 -5.710 2.846 1.00 0.00 O ATOM 0 H GLU A 96 -3.820 -5.400 -1.606 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.735 -4.960 -1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.175 -4.522 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.176 -3.174 0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.218 -4.460 0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.347 -5.977 0.456 1.00 0.00 H new ATOM 1251 N ILE A 97 -5.980 -2.717 -2.996 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.539 -1.458 -3.715 1.00 0.00 C ATOM 1253 C ILE A 97 -5.759 -0.366 -2.642 1.00 0.00 C ATOM 1254 O ILE A 97 -6.729 -0.460 -1.912 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.492 -1.188 -5.002 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.870 -2.502 -5.870 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -5.949 0.018 -5.947 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.710 -3.488 -6.242 1.00 0.00 C ATOM 0 H ILE A 97 -6.923 -3.019 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.517 -1.500 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.433 -0.865 -4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.623 -3.064 -5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.337 -2.169 -6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.626 0.152 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.902 0.941 -5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.954 -0.229 -6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.111 -4.319 -6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.960 -2.961 -6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.251 -3.870 -5.330 1.00 0.00 H new ATOM 1270 N VAL A 98 -4.773 0.548 -2.508 1.00 0.00 N ATOM 1271 CA VAL A 98 -4.804 1.706 -1.508 1.00 0.00 C ATOM 1272 C VAL A 98 -4.428 2.958 -2.341 1.00 0.00 C ATOM 1273 O VAL A 98 -3.515 2.902 -3.156 1.00 0.00 O ATOM 1274 CB VAL A 98 -3.751 1.511 -0.277 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -4.037 2.519 0.953 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -3.733 0.009 0.242 1.00 0.00 C ATOM 0 H VAL A 98 -3.925 0.529 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.784 1.780 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.769 1.755 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.307 2.345 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.957 3.549 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.040 2.344 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.021 -0.084 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.728 -0.267 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.438 -0.654 -0.572 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.238 4.004 -2.137 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.121 5.368 -2.805 1.00 0.00 C ATOM 1288 C VAL A 99 -5.120 6.340 -1.588 1.00 0.00 C ATOM 1289 O VAL A 99 -5.862 6.112 -0.640 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.400 5.663 -3.770 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.157 6.915 -4.746 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.816 4.370 -4.612 1.00 0.00 C ATOM 0 H VAL A 99 -6.025 3.955 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.243 5.460 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.226 5.920 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.039 7.069 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.972 7.809 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.295 6.718 -5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.672 4.607 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.979 4.058 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.080 3.561 -3.930 1.00 0.00 H new ATOM 1302 N GLY A 100 -4.259 7.356 -1.631 1.00 0.00 N ATOM 1303 CA GLY A 100 -4.172 8.366 -0.502 1.00 0.00 C ATOM 1304 C GLY A 100 -3.083 9.406 -0.796 1.00 0.00 C ATOM 1305 O GLY A 100 -2.023 9.042 -1.279 1.00 0.00 O ATOM 0 H GLY A 100 -3.613 7.526 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.134 8.863 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.952 7.855 0.435 1.00 0.00 H new ATOM 1309 N GLY A 101 -3.376 10.663 -0.434 1.00 0.00 N ATOM 1310 CA GLY A 101 -2.426 11.828 -0.645 1.00 0.00 C ATOM 1311 C GLY A 101 -1.412 11.971 0.492 1.00 0.00 C ATOM 1312 O GLY A 101 -1.204 11.046 1.263 1.00 0.00 O ATOM 0 H GLY A 101 -4.257 10.926 0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.894 11.693 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.001 12.750 -0.733 1.00 0.00 H new ATOM 1316 N ASN A 102 -0.875 13.189 0.577 1.00 0.00 N ATOM 1317 CA ASN A 102 0.152 13.569 1.618 1.00 0.00 C ATOM 1318 C ASN A 102 -0.476 13.948 2.973 1.00 0.00 C ATOM 1319 O ASN A 102 0.266 14.101 3.934 1.00 0.00 O ATOM 1320 CB ASN A 102 0.928 14.788 1.071 1.00 0.00 C ATOM 1321 CG ASN A 102 0.129 16.084 1.261 1.00 0.00 C ATOM 1322 OD1 ASN A 102 0.487 16.937 2.050 1.00 0.00 O ATOM 1323 ND2 ASN A 102 -0.952 16.275 0.554 1.00 0.00 N ATOM 0 H ASN A 102 -1.119 13.952 -0.055 1.00 0.00 H new ATOM 0 HA ASN A 102 0.795 12.708 1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.887 14.871 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.142 14.641 0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -1.489 17.135 0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -1.259 15.564 -0.110 1.00 0.00 H new ATOM 1330 N THR A 103 -1.815 14.071 3.007 1.00 0.00 N ATOM 1331 CA THR A 103 -2.568 14.442 4.271 1.00 0.00 C ATOM 1332 C THR A 103 -2.527 13.283 5.298 1.00 0.00 C ATOM 1333 O THR A 103 -1.808 13.404 6.278 1.00 0.00 O ATOM 1334 CB THR A 103 -4.063 14.780 3.902 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.438 13.864 2.887 1.00 0.00 O ATOM 1336 CG2 THR A 103 -4.267 16.161 3.212 1.00 0.00 C ATOM 0 H THR A 103 -2.414 13.925 2.195 1.00 0.00 H new ATOM 0 HA THR A 103 -2.092 15.312 4.723 1.00 0.00 H new ATOM 0 HB THR A 103 -4.622 14.753 4.837 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.366 14.032 2.622 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.325 16.307 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.920 16.954 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.699 16.191 2.282 1.00 0.00 H new ATOM 1344 N GLY A 104 -3.244 12.185 5.021 1.00 0.00 N ATOM 1345 CA GLY A 104 -3.277 11.000 5.956 1.00 0.00 C ATOM 1346 C GLY A 104 -4.444 10.059 5.624 1.00 0.00 C ATOM 1347 O GLY A 104 -4.372 8.891 5.958 1.00 0.00 O ATOM 0 H GLY A 104 -3.807 12.071 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.336 10.454 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.369 11.348 6.985 1.00 0.00 H new ATOM 1351 N GLU A 105 -5.481 10.614 4.993 1.00 0.00 N ATOM 1352 CA GLU A 105 -6.715 9.825 4.597 1.00 0.00 C ATOM 1353 C GLU A 105 -6.418 8.744 3.524 1.00 0.00 C ATOM 1354 O GLU A 105 -5.961 9.074 2.436 1.00 0.00 O ATOM 1355 CB GLU A 105 -7.758 10.824 3.982 1.00 0.00 C ATOM 1356 CG GLU A 105 -8.572 11.632 5.038 1.00 0.00 C ATOM 1357 CD GLU A 105 -9.224 12.821 4.329 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -10.264 12.593 3.735 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -8.645 13.892 4.422 1.00 0.00 O ATOM 0 H GLU A 105 -5.519 11.600 4.734 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.085 9.325 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.233 11.524 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.453 10.265 3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.332 11.000 5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.918 11.978 5.839 1.00 0.00 H new ATOM 1366 N TYR A 106 -6.709 7.483 3.896 1.00 0.00 N ATOM 1367 CA TYR A 106 -6.505 6.264 3.016 1.00 0.00 C ATOM 1368 C TYR A 106 -7.797 5.998 2.188 1.00 0.00 C ATOM 1369 O TYR A 106 -8.674 6.846 2.158 1.00 0.00 O ATOM 1370 CB TYR A 106 -6.239 5.061 3.982 1.00 0.00 C ATOM 1371 CG TYR A 106 -5.276 5.489 5.177 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -3.883 5.630 4.968 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -5.737 5.658 6.513 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -3.031 5.904 6.019 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -4.850 5.932 7.536 1.00 0.00 C ATOM 1376 CZ TYR A 106 -3.504 6.055 7.300 1.00 0.00 C ATOM 1377 OH TYR A 106 -2.637 6.332 8.337 1.00 0.00 O ATOM 0 H TYR A 106 -7.094 7.256 4.813 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.677 6.406 2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.184 4.698 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -5.791 4.237 3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -3.481 5.522 3.972 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -6.792 5.571 6.729 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.972 6.002 5.831 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.224 6.052 8.542 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.141 6.408 9.174 1.00 0.00 H new ATOM 1387 N GLY A 107 -7.862 4.843 1.517 1.00 0.00 N ATOM 1388 CA GLY A 107 -9.060 4.464 0.681 1.00 0.00 C ATOM 1389 C GLY A 107 -8.915 3.015 0.202 1.00 0.00 C ATOM 1390 O GLY A 107 -8.602 2.781 -0.954 1.00 0.00 O ATOM 0 H GLY A 107 -7.119 4.145 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -9.974 4.575 1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.146 5.134 -0.175 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.167 2.098 1.133 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.080 0.615 0.869 1.00 0.00 C ATOM 1396 C ASN A 108 -10.193 0.115 -0.066 1.00 0.00 C ATOM 1397 O ASN A 108 -11.269 0.692 -0.068 1.00 0.00 O ATOM 1398 CB ASN A 108 -9.262 -0.092 2.218 1.00 0.00 C ATOM 1399 CG ASN A 108 -8.153 0.351 3.176 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -7.054 -0.167 3.154 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -8.398 1.304 4.034 1.00 0.00 N ATOM 0 H ASN A 108 -9.436 2.331 2.089 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.122 0.406 0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.239 0.148 2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -9.230 -1.173 2.082 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -7.669 1.609 4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -9.318 1.744 4.059 1.00 0.00 H new ATOM 1408 N ALA A 109 -9.876 -0.928 -0.854 1.00 0.00 N ATOM 1409 CA ALA A 109 -10.864 -1.554 -1.839 1.00 0.00 C ATOM 1410 C ALA A 109 -10.377 -2.970 -2.260 1.00 0.00 C ATOM 1411 O ALA A 109 -9.484 -3.105 -3.085 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.000 -0.646 -3.102 1.00 0.00 C ATOM 0 H ALA A 109 -8.959 -1.374 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 109 -11.836 -1.644 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.705 -1.097 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.362 0.338 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.027 -0.544 -3.584 1.00 0.00 H new ATOM 1418 N ALA A 110 -10.961 -3.990 -1.619 1.00 0.00 N ATOM 1419 CA ALA A 110 -10.622 -5.439 -1.895 1.00 0.00 C ATOM 1420 C ALA A 110 -11.146 -5.920 -3.259 1.00 0.00 C ATOM 1421 O ALA A 110 -12.207 -5.485 -3.676 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.320 -6.276 -0.815 1.00 0.00 C ATOM 0 H ALA A 110 -11.674 -3.864 -0.901 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.537 -5.545 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.102 -7.332 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -10.958 -5.976 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.397 -6.115 -0.869 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.341 -6.804 -3.889 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.613 -7.448 -5.255 1.00 0.00 C ATOM 1430 C ILE A 111 -10.679 -9.000 -5.051 1.00 0.00 C ATOM 1431 O ILE A 111 -10.351 -9.433 -3.956 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.436 -7.006 -6.285 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -7.935 -7.094 -5.638 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -9.748 -5.518 -6.837 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -6.792 -7.431 -6.661 1.00 0.00 C ATOM 0 H ILE A 111 -9.460 -7.116 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.560 -7.118 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.436 -7.719 -7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.705 -6.142 -5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.937 -7.852 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.962 -5.214 -7.529 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.708 -5.515 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.785 -4.820 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.836 -7.467 -6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.991 -8.398 -7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.755 -6.661 -7.432 1.00 0.00 H new ATOM 1447 N SER A 112 -11.132 -9.765 -6.083 1.00 0.00 N ATOM 1448 CA SER A 112 -11.246 -11.287 -6.018 1.00 0.00 C ATOM 1449 C SER A 112 -10.811 -11.907 -7.345 1.00 0.00 C ATOM 1450 O SER A 112 -10.805 -11.221 -8.351 1.00 0.00 O ATOM 1451 CB SER A 112 -12.724 -11.666 -5.792 1.00 0.00 C ATOM 1452 OG SER A 112 -12.664 -12.961 -5.212 1.00 0.00 O ATOM 0 H SER A 112 -11.428 -9.373 -6.977 1.00 0.00 H new ATOM 0 HA SER A 112 -10.613 -11.652 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.221 -10.956 -5.131 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.281 -11.674 -6.729 1.00 0.00 H new ATOM 0 HG SER A 112 -13.573 -13.281 -5.032 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.457 -13.197 -7.266 1.00 0.00 N ATOM 1459 CA PHE A 113 -9.989 -14.035 -8.442 1.00 0.00 C ATOM 1460 C PHE A 113 -11.070 -15.042 -8.831 1.00 0.00 C ATOM 1461 O PHE A 113 -11.970 -15.294 -8.044 1.00 0.00 O ATOM 1462 CB PHE A 113 -8.750 -14.841 -7.993 1.00 0.00 C ATOM 1463 CG PHE A 113 -7.906 -14.013 -6.927 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -7.139 -12.888 -7.326 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -7.862 -14.359 -5.544 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -6.393 -12.179 -6.409 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -7.102 -13.622 -4.660 1.00 0.00 C ATOM 1468 CZ PHE A 113 -6.375 -12.542 -5.089 1.00 0.00 C ATOM 0 H PHE A 113 -10.478 -13.717 -6.389 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.767 -13.381 -9.285 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.064 -15.791 -7.560 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.128 -15.075 -8.857 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.140 -12.583 -8.362 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.429 -15.206 -5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.816 -11.327 -6.736 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -7.079 -13.899 -3.616 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.786 -11.975 -4.383 1.00 0.00 H new ATOM 1478 N GLY A 114 -10.930 -15.582 -10.038 1.00 0.00 N ATOM 1479 CA GLY A 114 -11.903 -16.599 -10.593 1.00 0.00 C ATOM 1480 C GLY A 114 -11.783 -17.942 -9.860 1.00 0.00 C ATOM 1481 O GLY A 114 -10.785 -18.600 -10.097 1.00 0.00 O ATOM 1482 OXT GLY A 114 -12.698 -18.230 -9.105 1.00 0.00 O ATOM 0 H GLY A 114 -10.164 -15.352 -10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.921 -16.221 -10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.714 -16.744 -11.657 1.00 0.00 H new TER 1486 GLY A 114