USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.09) USER MOD Single : A 6 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.44) USER MOD Single : A 14 MET CE :methyl 164:sc= -0.0556 (180deg=-0.731) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0613 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 88:sc= 0.374 USER MOD Single : A 26 MET CE :methyl 161:sc= -1.38 (180deg=-3.26!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= -0.0283 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0.0739 USER MOD Single : B 4 LYS NZ :NH3+ -160:sc= 0.913 (180deg=0.456) USER MOD Single : B 6 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.17) USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0727 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 88:sc= 0.0514 USER MOD Single : B 26 MET CE :methyl 174:sc= -0.385 (180deg=-0.54) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 25:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.376 -3.010 -14.730 1.00 0.00 N ATOM 2 CA SER A 1 2.971 -3.218 -14.424 1.00 0.00 C ATOM 3 C SER A 1 2.587 -2.434 -13.167 1.00 0.00 C ATOM 4 O SER A 1 2.358 -3.021 -12.111 1.00 0.00 O ATOM 5 CB SER A 1 2.663 -4.705 -14.236 1.00 0.00 C ATOM 6 OG SER A 1 2.974 -5.466 -15.401 1.00 0.00 O ATOM 0 H1 SER A 1 4.628 -3.546 -15.585 1.00 0.00 H new ATOM 0 H2 SER A 1 4.550 -1.998 -14.892 1.00 0.00 H new ATOM 0 H3 SER A 1 4.957 -3.337 -13.932 1.00 0.00 H new ATOM 0 HA SER A 1 2.381 -2.855 -15.265 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.232 -5.089 -13.389 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.608 -4.829 -13.993 1.00 0.00 H new ATOM 0 HG SER A 1 2.765 -6.410 -15.241 1.00 0.00 H new ATOM 12 N ILE A 2 2.528 -1.120 -13.324 1.00 0.00 N ATOM 13 CA ILE A 2 2.168 -0.250 -12.217 1.00 0.00 C ATOM 14 C ILE A 2 0.737 0.255 -12.416 1.00 0.00 C ATOM 15 O ILE A 2 0.510 1.458 -12.527 1.00 0.00 O ATOM 16 CB ILE A 2 3.198 0.869 -12.058 1.00 0.00 C ATOM 17 CG1 ILE A 2 4.622 0.329 -12.205 1.00 0.00 C ATOM 18 CG2 ILE A 2 3.001 1.612 -10.735 1.00 0.00 C ATOM 19 CD1 ILE A 2 5.655 1.433 -11.966 1.00 0.00 C ATOM 0 H ILE A 2 2.723 -0.637 -14.201 1.00 0.00 H new ATOM 0 HA ILE A 2 2.184 -0.802 -11.277 1.00 0.00 H new ATOM 0 HB ILE A 2 3.043 1.591 -12.859 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.782 -0.483 -11.496 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.755 -0.089 -13.203 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.746 2.402 -10.647 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.003 2.050 -10.709 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.113 0.914 -9.905 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.659 1.022 -12.077 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.508 2.232 -12.692 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.535 1.832 -10.959 1.00 0.00 H new ATOM 31 N THR A 3 -0.190 -0.691 -12.456 1.00 0.00 N ATOM 32 CA THR A 3 -1.591 -0.358 -12.647 1.00 0.00 C ATOM 33 C THR A 3 -2.329 -0.365 -11.307 1.00 0.00 C ATOM 34 O THR A 3 -1.858 -0.959 -10.339 1.00 0.00 O ATOM 35 CB THR A 3 -2.175 -1.338 -13.667 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.862 -2.621 -13.134 1.00 0.00 O ATOM 37 CG2 THR A 3 -1.435 -1.299 -15.006 1.00 0.00 C ATOM 0 H THR A 3 0.002 -1.688 -12.359 1.00 0.00 H new ATOM 0 HA THR A 3 -1.707 0.652 -13.041 1.00 0.00 H new ATOM 0 HB THR A 3 -3.229 -1.110 -13.828 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.206 -3.317 -13.732 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.889 -2.013 -15.694 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.500 -0.296 -15.429 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.388 -1.560 -14.851 1.00 0.00 H new ATOM 45 N LYS A 4 -3.473 0.304 -11.294 1.00 0.00 N ATOM 46 CA LYS A 4 -4.280 0.383 -10.088 1.00 0.00 C ATOM 47 C LYS A 4 -4.719 -1.025 -9.681 1.00 0.00 C ATOM 48 O LYS A 4 -4.760 -1.347 -8.495 1.00 0.00 O ATOM 49 CB LYS A 4 -5.443 1.357 -10.285 1.00 0.00 C ATOM 50 CG LYS A 4 -5.100 2.740 -9.727 1.00 0.00 C ATOM 51 CD LYS A 4 -4.197 3.512 -10.691 1.00 0.00 C ATOM 52 CE LYS A 4 -5.025 4.242 -11.751 1.00 0.00 C ATOM 53 NZ LYS A 4 -4.141 4.857 -12.767 1.00 0.00 N ATOM 0 H LYS A 4 -3.860 0.796 -12.099 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.694 0.786 -9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.679 1.437 -11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.333 0.971 -9.789 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.017 3.303 -9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.602 2.634 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.596 4.231 -10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.504 2.824 -11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.709 3.543 -12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.635 5.011 -11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.716 5.215 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.614 5.644 -12.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.472 4.144 -13.122 1.00 0.00 H new ATOM 67 N ASP A 5 -5.037 -1.826 -10.688 1.00 0.00 N ATOM 68 CA ASP A 5 -5.488 -3.186 -10.448 1.00 0.00 C ATOM 69 C ASP A 5 -4.404 -3.951 -9.686 1.00 0.00 C ATOM 70 O ASP A 5 -4.702 -4.677 -8.739 1.00 0.00 O ATOM 71 CB ASP A 5 -5.748 -3.920 -11.765 1.00 0.00 C ATOM 72 CG ASP A 5 -7.102 -3.626 -12.413 1.00 0.00 C ATOM 73 OD1 ASP A 5 -8.092 -4.245 -11.966 1.00 0.00 O ATOM 74 OD2 ASP A 5 -7.118 -2.788 -13.341 1.00 0.00 O ATOM 0 H ASP A 5 -4.991 -1.559 -11.671 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.413 -3.138 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.960 -3.658 -12.471 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.673 -4.993 -11.587 1.00 0.00 H new ATOM 79 N GLN A 6 -3.170 -3.764 -10.129 1.00 0.00 N ATOM 80 CA GLN A 6 -2.044 -4.456 -9.524 1.00 0.00 C ATOM 81 C GLN A 6 -1.983 -4.160 -8.024 1.00 0.00 C ATOM 82 O GLN A 6 -1.467 -4.964 -7.250 1.00 0.00 O ATOM 83 CB GLN A 6 -0.732 -4.074 -10.213 1.00 0.00 C ATOM 84 CG GLN A 6 -0.517 -4.904 -11.480 1.00 0.00 C ATOM 85 CD GLN A 6 -0.117 -6.340 -11.134 1.00 0.00 C ATOM 86 OE1 GLN A 6 0.736 -6.590 -10.299 1.00 0.00 O ATOM 87 NE2 GLN A 6 -0.779 -7.266 -11.822 1.00 0.00 N ATOM 0 H GLN A 6 -2.924 -3.143 -10.900 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.187 -5.528 -9.657 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.745 -3.014 -10.466 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.101 -4.228 -9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.431 -4.910 -12.074 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.258 -4.444 -12.093 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.481 -6.987 -12.507 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.584 -8.255 -11.665 1.00 0.00 H new ATOM 96 N ILE A 7 -2.516 -3.003 -7.660 1.00 0.00 N ATOM 97 CA ILE A 7 -2.507 -2.580 -6.270 1.00 0.00 C ATOM 98 C ILE A 7 -3.618 -3.310 -5.512 1.00 0.00 C ATOM 99 O ILE A 7 -3.476 -3.603 -4.326 1.00 0.00 O ATOM 100 CB ILE A 7 -2.595 -1.056 -6.173 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.478 -0.390 -6.979 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.599 -0.598 -4.713 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.103 -0.870 -6.512 1.00 0.00 C ATOM 0 H ILE A 7 -2.957 -2.346 -8.303 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.564 -2.852 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.542 -0.740 -6.612 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.605 -0.615 -8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.544 0.693 -6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.662 0.489 -4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.457 -1.031 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.681 -0.926 -4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.673 -0.381 -7.101 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.031 -0.622 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.031 -1.950 -6.642 1.00 0.00 H new ATOM 115 N ILE A 8 -4.700 -3.581 -6.228 1.00 0.00 N ATOM 116 CA ILE A 8 -5.818 -4.306 -5.649 1.00 0.00 C ATOM 117 C ILE A 8 -5.338 -5.677 -5.169 1.00 0.00 C ATOM 118 O ILE A 8 -5.617 -6.076 -4.039 1.00 0.00 O ATOM 119 CB ILE A 8 -6.982 -4.374 -6.639 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.430 -2.971 -7.056 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.138 -5.200 -6.070 1.00 0.00 C ATOM 122 CD1 ILE A 8 -8.606 -3.039 -8.033 1.00 0.00 C ATOM 0 H ILE A 8 -4.826 -3.311 -7.204 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.202 -3.779 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.636 -4.882 -7.539 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.718 -2.400 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.597 -2.442 -7.520 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.953 -5.233 -6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.794 -6.214 -5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.492 -4.743 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.905 -2.029 -8.313 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.307 -3.590 -8.925 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.445 -3.547 -7.558 1.00 0.00 H new ATOM 134 N GLU A 9 -4.624 -6.361 -6.051 1.00 0.00 N ATOM 135 CA GLU A 9 -4.128 -7.691 -5.743 1.00 0.00 C ATOM 136 C GLU A 9 -3.105 -7.626 -4.607 1.00 0.00 C ATOM 137 O GLU A 9 -2.756 -8.650 -4.021 1.00 0.00 O ATOM 138 CB GLU A 9 -3.527 -8.354 -6.984 1.00 0.00 C ATOM 139 CG GLU A 9 -4.607 -8.640 -8.030 1.00 0.00 C ATOM 140 CD GLU A 9 -4.002 -9.281 -9.281 1.00 0.00 C ATOM 141 OE1 GLU A 9 -3.316 -8.544 -10.021 1.00 0.00 O ATOM 142 OE2 GLU A 9 -4.241 -10.494 -9.468 1.00 0.00 O ATOM 0 H GLU A 9 -4.377 -6.018 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.968 -8.303 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.763 -7.706 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.034 -9.284 -6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.362 -9.302 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.112 -7.712 -8.300 1.00 0.00 H new ATOM 149 N ALA A 10 -2.653 -6.412 -4.330 1.00 0.00 N ATOM 150 CA ALA A 10 -1.673 -6.200 -3.278 1.00 0.00 C ATOM 151 C ALA A 10 -2.364 -6.297 -1.916 1.00 0.00 C ATOM 152 O ALA A 10 -1.848 -6.932 -0.998 1.00 0.00 O ATOM 153 CB ALA A 10 -0.982 -4.851 -3.487 1.00 0.00 C ATOM 0 H ALA A 10 -2.947 -5.565 -4.816 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.902 -6.969 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.247 -4.692 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.482 -4.845 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.724 -4.053 -3.457 1.00 0.00 H new ATOM 159 N VAL A 11 -3.520 -5.657 -1.829 1.00 0.00 N ATOM 160 CA VAL A 11 -4.290 -5.666 -0.596 1.00 0.00 C ATOM 161 C VAL A 11 -4.830 -7.076 -0.348 1.00 0.00 C ATOM 162 O VAL A 11 -5.091 -7.452 0.794 1.00 0.00 O ATOM 163 CB VAL A 11 -5.391 -4.606 -0.658 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.449 -4.850 0.420 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.804 -3.198 -0.542 1.00 0.00 C ATOM 0 H VAL A 11 -3.943 -5.128 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.656 -5.407 0.252 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.879 -4.686 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.220 -4.082 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.900 -5.831 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.982 -4.811 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.608 -2.464 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.278 -3.100 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.107 -3.026 -1.362 1.00 0.00 H new ATOM 175 N ALA A 12 -4.981 -7.817 -1.435 1.00 0.00 N ATOM 176 CA ALA A 12 -5.494 -9.174 -1.351 1.00 0.00 C ATOM 177 C ALA A 12 -4.336 -10.136 -1.077 1.00 0.00 C ATOM 178 O ALA A 12 -4.525 -11.352 -1.064 1.00 0.00 O ATOM 179 CB ALA A 12 -6.245 -9.517 -2.639 1.00 0.00 C ATOM 0 H ALA A 12 -4.757 -7.504 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.202 -9.267 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.630 -10.535 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.075 -8.823 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.566 -9.438 -3.488 1.00 0.00 H new ATOM 185 N ALA A 13 -3.165 -9.556 -0.864 1.00 0.00 N ATOM 186 CA ALA A 13 -1.973 -10.347 -0.610 1.00 0.00 C ATOM 187 C ALA A 13 -1.705 -10.391 0.895 1.00 0.00 C ATOM 188 O ALA A 13 -1.142 -11.360 1.402 1.00 0.00 O ATOM 189 CB ALA A 13 -0.796 -9.764 -1.395 1.00 0.00 C ATOM 0 H ALA A 13 -3.016 -8.547 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.115 -11.373 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.098 -10.357 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.024 -9.784 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.622 -8.735 -1.080 1.00 0.00 H new ATOM 195 N MET A 14 -2.121 -9.328 1.569 1.00 0.00 N ATOM 196 CA MET A 14 -1.918 -9.225 3.004 1.00 0.00 C ATOM 197 C MET A 14 -3.183 -9.621 3.767 1.00 0.00 C ATOM 198 O MET A 14 -4.242 -9.802 3.169 1.00 0.00 O ATOM 199 CB MET A 14 -1.533 -7.788 3.363 1.00 0.00 C ATOM 200 CG MET A 14 -0.215 -7.391 2.697 1.00 0.00 C ATOM 201 SD MET A 14 -0.498 -6.085 1.513 1.00 0.00 S ATOM 202 CE MET A 14 -0.184 -4.660 2.542 1.00 0.00 C ATOM 0 H MET A 14 -2.598 -8.531 1.147 1.00 0.00 H new ATOM 0 HA MET A 14 -1.117 -9.907 3.289 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.323 -7.107 3.048 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.441 -7.692 4.445 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.498 -7.060 3.452 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.225 -8.255 2.199 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.036 -3.782 1.913 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.035 -4.494 3.203 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.711 -4.833 3.140 1.00 0.00 H new ATOM 212 N SER A 15 -3.031 -9.744 5.078 1.00 0.00 N ATOM 213 CA SER A 15 -4.139 -10.153 5.924 1.00 0.00 C ATOM 214 C SER A 15 -5.057 -8.960 6.198 1.00 0.00 C ATOM 215 O SER A 15 -4.689 -7.816 5.935 1.00 0.00 O ATOM 216 CB SER A 15 -3.635 -10.748 7.241 1.00 0.00 C ATOM 217 OG SER A 15 -2.337 -10.269 7.581 1.00 0.00 O ATOM 0 H SER A 15 -2.158 -9.568 5.574 1.00 0.00 H new ATOM 0 HA SER A 15 -4.703 -10.924 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.333 -10.502 8.041 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.611 -11.835 7.162 1.00 0.00 H new ATOM 0 HG SER A 15 -2.052 -10.671 8.428 1.00 0.00 H new ATOM 223 N VAL A 16 -6.234 -9.267 6.723 1.00 0.00 N ATOM 224 CA VAL A 16 -7.210 -8.235 7.026 1.00 0.00 C ATOM 225 C VAL A 16 -6.620 -7.267 8.053 1.00 0.00 C ATOM 226 O VAL A 16 -6.718 -6.051 7.893 1.00 0.00 O ATOM 227 CB VAL A 16 -8.520 -8.875 7.492 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.497 -7.814 8.003 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.150 -9.709 6.376 1.00 0.00 C ATOM 0 H VAL A 16 -6.534 -10.216 6.946 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.445 -7.657 6.132 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.290 -9.545 8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.419 -8.295 8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.050 -7.282 8.843 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.719 -7.108 7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.079 -10.152 6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.359 -9.070 5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.461 -10.500 6.080 1.00 0.00 H new ATOM 239 N MET A 17 -6.020 -7.842 9.085 1.00 0.00 N ATOM 240 CA MET A 17 -5.403 -7.044 10.131 1.00 0.00 C ATOM 241 C MET A 17 -4.330 -6.118 9.555 1.00 0.00 C ATOM 242 O MET A 17 -4.290 -4.932 9.878 1.00 0.00 O ATOM 243 CB MET A 17 -4.772 -7.970 11.173 1.00 0.00 C ATOM 244 CG MET A 17 -5.782 -8.339 12.262 1.00 0.00 C ATOM 245 SD MET A 17 -5.018 -9.417 13.462 1.00 0.00 S ATOM 246 CE MET A 17 -6.291 -9.439 14.713 1.00 0.00 C ATOM 0 H MET A 17 -5.948 -8.851 9.219 1.00 0.00 H new ATOM 0 HA MET A 17 -6.174 -6.430 10.596 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.408 -8.876 10.687 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.908 -7.481 11.624 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.147 -7.436 12.752 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.646 -8.832 11.816 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.975 -10.071 15.543 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.463 -8.425 15.075 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.213 -9.834 14.287 1.00 0.00 H new ATOM 256 N ASP A 18 -3.487 -6.694 8.710 1.00 0.00 N ATOM 257 CA ASP A 18 -2.417 -5.935 8.086 1.00 0.00 C ATOM 258 C ASP A 18 -3.018 -4.774 7.291 1.00 0.00 C ATOM 259 O ASP A 18 -2.430 -3.696 7.221 1.00 0.00 O ATOM 260 CB ASP A 18 -1.616 -6.807 7.117 1.00 0.00 C ATOM 261 CG ASP A 18 -0.367 -6.145 6.533 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.699 -6.283 7.170 1.00 0.00 O ATOM 263 OD2 ASP A 18 -0.507 -5.516 5.462 1.00 0.00 O ATOM 0 H ASP A 18 -3.524 -7.678 8.443 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.757 -5.572 8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.317 -7.719 7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.268 -7.105 6.296 1.00 0.00 H new ATOM 268 N VAL A 19 -4.181 -5.034 6.713 1.00 0.00 N ATOM 269 CA VAL A 19 -4.836 -4.046 5.872 1.00 0.00 C ATOM 270 C VAL A 19 -5.483 -2.979 6.756 1.00 0.00 C ATOM 271 O VAL A 19 -5.584 -1.818 6.361 1.00 0.00 O ATOM 272 CB VAL A 19 -5.833 -4.734 4.937 1.00 0.00 C ATOM 273 CG1 VAL A 19 -6.793 -3.717 4.317 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.106 -5.534 3.853 1.00 0.00 C ATOM 0 H VAL A 19 -4.687 -5.914 6.810 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.108 -3.543 5.236 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.422 -5.433 5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.491 -4.231 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.347 -3.211 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.226 -2.983 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.837 -6.013 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.480 -4.863 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.482 -6.296 4.320 1.00 0.00 H new ATOM 284 N VAL A 20 -5.906 -3.410 7.935 1.00 0.00 N ATOM 285 CA VAL A 20 -6.521 -2.501 8.888 1.00 0.00 C ATOM 286 C VAL A 20 -5.504 -1.434 9.297 1.00 0.00 C ATOM 287 O VAL A 20 -5.849 -0.261 9.431 1.00 0.00 O ATOM 288 CB VAL A 20 -7.075 -3.286 10.078 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.221 -2.388 11.308 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.407 -3.951 9.724 1.00 0.00 C ATOM 0 H VAL A 20 -5.835 -4.377 8.252 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.368 -1.986 8.433 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.361 -4.073 10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.617 -2.971 12.139 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.246 -1.983 11.580 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.904 -1.569 11.082 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.779 -4.503 10.587 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.131 -3.187 9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.261 -4.638 8.890 1.00 0.00 H new ATOM 300 N GLU A 21 -4.270 -1.879 9.485 1.00 0.00 N ATOM 301 CA GLU A 21 -3.199 -0.975 9.868 1.00 0.00 C ATOM 302 C GLU A 21 -2.942 0.046 8.758 1.00 0.00 C ATOM 303 O GLU A 21 -2.874 1.246 9.017 1.00 0.00 O ATOM 304 CB GLU A 21 -1.923 -1.749 10.207 1.00 0.00 C ATOM 305 CG GLU A 21 -2.040 -2.427 11.574 1.00 0.00 C ATOM 306 CD GLU A 21 -1.958 -1.399 12.704 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.981 -0.620 12.694 1.00 0.00 O ATOM 308 OE2 GLU A 21 -2.876 -1.415 13.553 1.00 0.00 O ATOM 0 H GLU A 21 -3.988 -2.854 9.379 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.508 -0.437 10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.734 -2.500 9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.070 -1.070 10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.985 -2.967 11.637 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.244 -3.163 11.688 1.00 0.00 H new ATOM 315 N LEU A 22 -2.808 -0.469 7.544 1.00 0.00 N ATOM 316 CA LEU A 22 -2.601 0.385 6.387 1.00 0.00 C ATOM 317 C LEU A 22 -3.730 1.415 6.311 1.00 0.00 C ATOM 318 O LEU A 22 -3.490 2.615 6.428 1.00 0.00 O ATOM 319 CB LEU A 22 -2.449 -0.457 5.119 1.00 0.00 C ATOM 320 CG LEU A 22 -2.098 0.310 3.843 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.613 0.675 3.814 1.00 0.00 C ATOM 322 CD2 LEU A 22 -2.520 -0.474 2.599 1.00 0.00 C ATOM 0 H LEU A 22 -2.839 -1.467 7.337 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.668 0.940 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.676 -1.205 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.381 -0.996 4.951 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.659 1.244 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.390 1.220 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.375 1.301 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.014 -0.235 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.259 0.093 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.005 -1.435 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.597 -0.640 2.622 1.00 0.00 H new ATOM 334 N ILE A 23 -4.938 0.907 6.115 1.00 0.00 N ATOM 335 CA ILE A 23 -6.101 1.769 5.988 1.00 0.00 C ATOM 336 C ILE A 23 -6.087 2.806 7.113 1.00 0.00 C ATOM 337 O ILE A 23 -6.405 3.973 6.891 1.00 0.00 O ATOM 338 CB ILE A 23 -7.383 0.935 5.937 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.478 0.156 4.624 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.616 1.810 6.175 1.00 0.00 C ATOM 341 CD1 ILE A 23 -7.620 1.105 3.432 1.00 0.00 C ATOM 0 H ILE A 23 -5.137 -0.091 6.041 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.067 2.318 5.047 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.347 0.203 6.744 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.588 -0.461 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.332 -0.520 4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.514 1.193 6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.544 2.281 7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.670 2.580 5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.685 0.525 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.523 1.704 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.752 1.763 3.385 1.00 0.00 H new ATOM 353 N SER A 24 -5.715 2.342 8.297 1.00 0.00 N ATOM 354 CA SER A 24 -5.717 3.199 9.471 1.00 0.00 C ATOM 355 C SER A 24 -4.662 4.296 9.319 1.00 0.00 C ATOM 356 O SER A 24 -4.899 5.446 9.688 1.00 0.00 O ATOM 357 CB SER A 24 -5.462 2.390 10.744 1.00 0.00 C ATOM 358 OG SER A 24 -6.656 1.801 11.251 1.00 0.00 O ATOM 0 H SER A 24 -5.410 1.384 8.469 1.00 0.00 H new ATOM 0 HA SER A 24 -6.701 3.659 9.557 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.732 1.608 10.536 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.027 3.038 11.504 1.00 0.00 H new ATOM 0 HG SER A 24 -6.797 0.929 10.826 1.00 0.00 H new ATOM 364 N ALA A 25 -3.519 3.903 8.776 1.00 0.00 N ATOM 365 CA ALA A 25 -2.429 4.841 8.565 1.00 0.00 C ATOM 366 C ALA A 25 -2.883 5.933 7.593 1.00 0.00 C ATOM 367 O ALA A 25 -2.825 7.119 7.915 1.00 0.00 O ATOM 368 CB ALA A 25 -1.197 4.087 8.060 1.00 0.00 C ATOM 0 H ALA A 25 -3.324 2.948 8.476 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.153 5.326 9.501 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.380 4.790 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.898 3.343 8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.435 3.590 7.120 1.00 0.00 H new ATOM 374 N MET A 26 -3.326 5.494 6.424 1.00 0.00 N ATOM 375 CA MET A 26 -3.801 6.418 5.409 1.00 0.00 C ATOM 376 C MET A 26 -4.877 7.348 5.973 1.00 0.00 C ATOM 377 O MET A 26 -4.837 8.557 5.751 1.00 0.00 O ATOM 378 CB MET A 26 -4.373 5.630 4.229 1.00 0.00 C ATOM 379 CG MET A 26 -3.259 4.946 3.433 1.00 0.00 C ATOM 380 SD MET A 26 -3.963 3.938 2.140 1.00 0.00 S ATOM 381 CE MET A 26 -4.729 5.204 1.142 1.00 0.00 C ATOM 0 H MET A 26 -3.366 4.510 6.157 1.00 0.00 H new ATOM 0 HA MET A 26 -2.960 7.027 5.077 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.076 4.881 4.594 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.932 6.301 3.576 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.597 5.696 3.001 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.653 4.330 4.097 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.919 4.814 0.142 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.671 5.507 1.598 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.065 6.066 1.075 1.00 0.00 H new ATOM 391 N GLU A 27 -5.814 6.747 6.692 1.00 0.00 N ATOM 392 CA GLU A 27 -6.913 7.503 7.268 1.00 0.00 C ATOM 393 C GLU A 27 -6.388 8.764 7.957 1.00 0.00 C ATOM 394 O GLU A 27 -6.905 9.857 7.736 1.00 0.00 O ATOM 395 CB GLU A 27 -7.719 6.641 8.243 1.00 0.00 C ATOM 396 CG GLU A 27 -8.750 5.790 7.499 1.00 0.00 C ATOM 397 CD GLU A 27 -10.068 6.550 7.330 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.807 6.636 8.334 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.306 7.027 6.199 1.00 0.00 O ATOM 0 H GLU A 27 -5.835 5.746 6.889 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.582 7.805 6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.045 5.994 8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.224 7.280 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.359 5.511 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.927 4.865 8.047 1.00 0.00 H new ATOM 406 N GLU A 28 -5.365 8.569 8.777 1.00 0.00 N ATOM 407 CA GLU A 28 -4.801 9.667 9.543 1.00 0.00 C ATOM 408 C GLU A 28 -3.903 10.529 8.654 1.00 0.00 C ATOM 409 O GLU A 28 -4.001 11.755 8.669 1.00 0.00 O ATOM 410 CB GLU A 28 -4.032 9.148 10.760 1.00 0.00 C ATOM 411 CG GLU A 28 -3.455 10.305 11.578 1.00 0.00 C ATOM 412 CD GLU A 28 -2.893 9.807 12.911 1.00 0.00 C ATOM 413 OE1 GLU A 28 -3.695 9.716 13.866 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.675 9.530 12.946 1.00 0.00 O ATOM 0 H GLU A 28 -4.913 7.667 8.927 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.619 10.287 9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.695 8.551 11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.226 8.492 10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.668 10.800 11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.231 11.048 11.761 1.00 0.00 H new ATOM 421 N LYS A 29 -3.048 9.853 7.900 1.00 0.00 N ATOM 422 CA LYS A 29 -2.113 10.543 7.027 1.00 0.00 C ATOM 423 C LYS A 29 -2.880 11.529 6.143 1.00 0.00 C ATOM 424 O LYS A 29 -2.718 12.741 6.274 1.00 0.00 O ATOM 425 CB LYS A 29 -1.273 9.536 6.239 1.00 0.00 C ATOM 426 CG LYS A 29 -0.367 10.247 5.232 1.00 0.00 C ATOM 427 CD LYS A 29 0.782 10.966 5.942 1.00 0.00 C ATOM 428 CE LYS A 29 1.817 11.473 4.935 1.00 0.00 C ATOM 429 NZ LYS A 29 2.889 12.223 5.626 1.00 0.00 N ATOM 0 H LYS A 29 -2.983 8.835 7.876 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.403 11.126 7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.666 8.946 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.929 8.840 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.035 9.522 4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.950 10.966 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.390 11.804 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.259 10.287 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.246 10.632 4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.333 12.115 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.583 12.560 4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.477 13.037 6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.362 11.600 6.311 1.00 0.00 H new ATOM 443 N PHE A 30 -3.699 10.972 5.263 1.00 0.00 N ATOM 444 CA PHE A 30 -4.474 11.786 4.342 1.00 0.00 C ATOM 445 C PHE A 30 -5.637 12.472 5.063 1.00 0.00 C ATOM 446 O PHE A 30 -6.380 13.242 4.457 1.00 0.00 O ATOM 447 CB PHE A 30 -5.036 10.844 3.276 1.00 0.00 C ATOM 448 CG PHE A 30 -3.974 10.251 2.348 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.587 10.930 1.235 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.417 9.044 2.635 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.602 10.380 0.374 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.432 8.493 1.774 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.045 9.173 0.661 1.00 0.00 C ATOM 0 H PHE A 30 -3.843 9.967 5.168 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.842 12.561 3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.568 10.031 3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.767 11.386 2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.029 11.888 1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.724 8.504 3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.295 10.920 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.990 7.534 2.002 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.296 8.754 0.006 1.00 0.00 H new ATOM 463 N GLY A 31 -5.757 12.169 6.347 1.00 0.00 N ATOM 464 CA GLY A 31 -6.792 12.776 7.166 1.00 0.00 C ATOM 465 C GLY A 31 -8.133 12.792 6.431 1.00 0.00 C ATOM 466 O GLY A 31 -8.759 13.843 6.297 1.00 0.00 O ATOM 0 H GLY A 31 -5.154 11.511 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.892 12.224 8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.504 13.794 7.427 1.00 0.00 H new ATOM 470 N VAL A 32 -8.536 11.616 5.974 1.00 0.00 N ATOM 471 CA VAL A 32 -9.792 11.481 5.257 1.00 0.00 C ATOM 472 C VAL A 32 -10.772 10.663 6.101 1.00 0.00 C ATOM 473 O VAL A 32 -11.276 9.636 5.651 1.00 0.00 O ATOM 474 CB VAL A 32 -9.544 10.876 3.874 1.00 0.00 C ATOM 475 CG1 VAL A 32 -8.828 9.528 3.987 1.00 0.00 C ATOM 476 CG2 VAL A 32 -10.851 10.739 3.092 1.00 0.00 C ATOM 0 H VAL A 32 -8.014 10.747 6.087 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.244 12.459 5.092 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.895 11.556 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.663 9.119 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.869 9.666 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.441 8.838 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.646 10.306 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.536 10.091 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.305 11.722 2.966 1.00 0.00 H new ATOM 486 N SER A 33 -11.011 11.149 7.310 1.00 0.00 N ATOM 487 CA SER A 33 -11.921 10.476 8.221 1.00 0.00 C ATOM 488 C SER A 33 -12.896 11.486 8.828 1.00 0.00 C ATOM 489 O SER A 33 -12.593 12.116 9.840 1.00 0.00 O ATOM 490 CB SER A 33 -11.154 9.747 9.327 1.00 0.00 C ATOM 491 OG SER A 33 -12.022 8.993 10.169 1.00 0.00 O ATOM 0 H SER A 33 -10.590 12.001 7.680 1.00 0.00 H new ATOM 0 HA SER A 33 -12.483 9.733 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.416 9.082 8.879 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.606 10.473 9.928 1.00 0.00 H new ATOM 0 HG SER A 33 -11.495 8.541 10.861 1.00 0.00 H new ATOM 497 N ALA A 34 -14.048 11.609 8.184 1.00 0.00 N ATOM 498 CA ALA A 34 -15.075 12.522 8.656 1.00 0.00 C ATOM 499 C ALA A 34 -16.419 12.135 8.036 1.00 0.00 C ATOM 500 O ALA A 34 -17.013 12.917 7.295 1.00 0.00 O ATOM 501 CB ALA A 34 -14.671 13.960 8.322 1.00 0.00 C ATOM 0 H ALA A 34 -14.292 11.092 7.340 1.00 0.00 H new ATOM 0 HA ALA A 34 -15.180 12.456 9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -15.441 14.646 8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.725 14.195 8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -14.559 14.065 7.243 1.00 0.00 H new ATOM 507 N ALA A 35 -16.859 10.929 8.362 1.00 0.00 N ATOM 508 CA ALA A 35 -18.127 10.433 7.855 1.00 0.00 C ATOM 509 C ALA A 35 -18.430 9.075 8.492 1.00 0.00 C ATOM 510 O ALA A 35 -18.302 8.038 7.843 1.00 0.00 O ATOM 511 CB ALA A 35 -18.074 10.361 6.327 1.00 0.00 C ATOM 0 H ALA A 35 -16.360 10.281 8.971 1.00 0.00 H new ATOM 0 HA ALA A 35 -18.938 11.111 8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.025 9.989 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.886 11.355 5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.273 9.687 6.022 1.00 0.00 H new ATOM 517 N ALA A 36 -18.827 9.126 9.755 1.00 0.00 N ATOM 518 CA ALA A 36 -19.157 7.913 10.485 1.00 0.00 C ATOM 519 C ALA A 36 -17.935 6.993 10.516 1.00 0.00 C ATOM 520 O ALA A 36 -16.924 7.276 9.875 1.00 0.00 O ATOM 521 CB ALA A 36 -20.374 7.246 9.842 1.00 0.00 C ATOM 0 H ALA A 36 -18.928 9.988 10.291 1.00 0.00 H new ATOM 0 HA ALA A 36 -19.420 8.145 11.517 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -20.622 6.336 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -21.222 7.930 9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -20.147 6.996 8.806 1.00 0.00 H new ATOM 527 N ALA A 37 -18.069 5.909 11.267 1.00 0.00 N ATOM 528 CA ALA A 37 -16.994 4.938 11.377 1.00 0.00 C ATOM 529 C ALA A 37 -17.512 3.691 12.097 1.00 0.00 C ATOM 530 O ALA A 37 -17.520 2.600 11.529 1.00 0.00 O ATOM 531 CB ALA A 37 -15.802 5.574 12.095 1.00 0.00 C ATOM 0 H ALA A 37 -18.906 5.682 11.805 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.652 4.630 10.389 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.996 4.845 12.177 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.454 6.437 11.528 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.106 5.893 13.092 1.00 0.00 H new TER 537 ALA A 37 ATOM 538 N SER B 1 12.096 -3.934 0.943 1.00 0.00 N ATOM 539 CA SER B 1 11.455 -3.172 2.001 1.00 0.00 C ATOM 540 C SER B 1 10.039 -2.776 1.577 1.00 0.00 C ATOM 541 O SER B 1 9.782 -1.614 1.267 1.00 0.00 O ATOM 542 CB SER B 1 12.271 -1.927 2.356 1.00 0.00 C ATOM 543 OG SER B 1 11.707 -1.214 3.453 1.00 0.00 O ATOM 0 H1 SER B 1 13.057 -4.199 1.239 1.00 0.00 H new ATOM 0 H2 SER B 1 11.544 -4.794 0.751 1.00 0.00 H new ATOM 0 H3 SER B 1 12.147 -3.355 0.080 1.00 0.00 H new ATOM 0 HA SER B 1 11.399 -3.801 2.889 1.00 0.00 H new ATOM 0 HB2 SER B 1 13.292 -2.220 2.601 1.00 0.00 H new ATOM 0 HB3 SER B 1 12.327 -1.271 1.488 1.00 0.00 H new ATOM 0 HG SER B 1 12.257 -0.427 3.650 1.00 0.00 H new ATOM 549 N ILE B 2 9.157 -3.765 1.576 1.00 0.00 N ATOM 550 CA ILE B 2 7.775 -3.535 1.193 1.00 0.00 C ATOM 551 C ILE B 2 6.929 -3.328 2.452 1.00 0.00 C ATOM 552 O ILE B 2 5.969 -4.060 2.686 1.00 0.00 O ATOM 553 CB ILE B 2 7.273 -4.666 0.294 1.00 0.00 C ATOM 554 CG1 ILE B 2 8.318 -5.032 -0.762 1.00 0.00 C ATOM 555 CG2 ILE B 2 5.924 -4.309 -0.334 1.00 0.00 C ATOM 556 CD1 ILE B 2 7.807 -6.149 -1.675 1.00 0.00 C ATOM 0 H ILE B 2 9.373 -4.728 1.835 1.00 0.00 H new ATOM 0 HA ILE B 2 7.691 -2.625 0.599 1.00 0.00 H new ATOM 0 HB ILE B 2 7.117 -5.550 0.912 1.00 0.00 H new ATOM 0 HG12 ILE B 2 8.561 -4.153 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE B 2 9.239 -5.350 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.589 -5.130 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE B 2 5.190 -4.137 0.453 1.00 0.00 H new ATOM 0 HG23 ILE B 2 6.030 -3.406 -0.935 1.00 0.00 H new ATOM 0 HD11 ILE B 2 8.569 -6.390 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE B 2 7.588 -7.035 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE B 2 6.900 -5.819 -2.181 1.00 0.00 H new ATOM 568 N THR B 3 7.317 -2.327 3.229 1.00 0.00 N ATOM 569 CA THR B 3 6.609 -2.018 4.459 1.00 0.00 C ATOM 570 C THR B 3 5.273 -1.339 4.150 1.00 0.00 C ATOM 571 O THR B 3 5.078 -0.817 3.053 1.00 0.00 O ATOM 572 CB THR B 3 7.533 -1.170 5.336 1.00 0.00 C ATOM 573 OG1 THR B 3 7.557 0.099 4.688 1.00 0.00 O ATOM 574 CG2 THR B 3 8.987 -1.643 5.283 1.00 0.00 C ATOM 0 H THR B 3 8.112 -1.720 3.030 1.00 0.00 H new ATOM 0 HA THR B 3 6.357 -2.925 5.009 1.00 0.00 H new ATOM 0 HB THR B 3 7.180 -1.196 6.367 1.00 0.00 H new ATOM 0 HG1 THR B 3 8.132 0.712 5.191 1.00 0.00 H new ATOM 0 HG21 THR B 3 9.600 -1.008 5.922 1.00 0.00 H new ATOM 0 HG22 THR B 3 9.047 -2.674 5.631 1.00 0.00 H new ATOM 0 HG23 THR B 3 9.351 -1.585 4.257 1.00 0.00 H new ATOM 582 N LYS B 4 4.389 -1.368 5.136 1.00 0.00 N ATOM 583 CA LYS B 4 3.093 -0.724 4.998 1.00 0.00 C ATOM 584 C LYS B 4 3.295 0.776 4.772 1.00 0.00 C ATOM 585 O LYS B 4 2.579 1.390 3.984 1.00 0.00 O ATOM 586 CB LYS B 4 2.203 -1.051 6.198 1.00 0.00 C ATOM 587 CG LYS B 4 1.284 -2.236 5.893 1.00 0.00 C ATOM 588 CD LYS B 4 0.624 -2.761 7.169 1.00 0.00 C ATOM 589 CE LYS B 4 1.653 -3.425 8.086 1.00 0.00 C ATOM 590 NZ LYS B 4 0.978 -4.264 9.101 1.00 0.00 N ATOM 0 H LYS B 4 4.544 -1.827 6.034 1.00 0.00 H new ATOM 0 HA LYS B 4 2.566 -1.110 4.125 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.824 -1.281 7.064 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.603 -0.179 6.459 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.517 -1.932 5.181 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.858 -3.034 5.421 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.139 -1.940 7.696 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.155 -3.479 6.911 1.00 0.00 H new ATOM 0 HE2 LYS B 4 2.334 -4.037 7.495 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.256 -2.662 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 1.623 -4.429 9.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 0.124 -3.778 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 0.712 -5.175 8.677 1.00 0.00 H new ATOM 604 N ASP B 5 4.275 1.321 5.478 1.00 0.00 N ATOM 605 CA ASP B 5 4.558 2.744 5.389 1.00 0.00 C ATOM 606 C ASP B 5 4.856 3.110 3.934 1.00 0.00 C ATOM 607 O ASP B 5 4.387 4.135 3.440 1.00 0.00 O ATOM 608 CB ASP B 5 5.781 3.115 6.230 1.00 0.00 C ATOM 609 CG ASP B 5 5.511 3.284 7.726 1.00 0.00 C ATOM 610 OD1 ASP B 5 5.176 2.261 8.362 1.00 0.00 O ATOM 611 OD2 ASP B 5 5.645 4.433 8.201 1.00 0.00 O ATOM 0 H ASP B 5 4.882 0.804 6.113 1.00 0.00 H new ATOM 0 HA ASP B 5 3.687 3.285 5.759 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.541 2.345 6.098 1.00 0.00 H new ATOM 0 HB3 ASP B 5 6.200 4.045 5.845 1.00 0.00 H new ATOM 616 N GLN B 6 5.633 2.253 3.289 1.00 0.00 N ATOM 617 CA GLN B 6 6.025 2.490 1.910 1.00 0.00 C ATOM 618 C GLN B 6 4.786 2.633 1.023 1.00 0.00 C ATOM 619 O GLN B 6 4.830 3.302 -0.008 1.00 0.00 O ATOM 620 CB GLN B 6 6.939 1.374 1.399 1.00 0.00 C ATOM 621 CG GLN B 6 8.403 1.669 1.732 1.00 0.00 C ATOM 622 CD GLN B 6 8.968 2.748 0.805 1.00 0.00 C ATOM 623 OE1 GLN B 6 9.203 2.531 -0.372 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.174 3.919 1.401 1.00 0.00 N ATOM 0 H GLN B 6 6.002 1.393 3.696 1.00 0.00 H new ATOM 0 HA GLN B 6 6.588 3.423 1.869 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.645 0.425 1.846 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.822 1.268 0.321 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.486 1.995 2.769 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.993 0.757 1.637 1.00 0.00 H new ATOM 0 HE21 GLN B 6 8.955 4.033 2.391 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.551 4.703 0.868 1.00 0.00 H new ATOM 633 N ILE B 7 3.710 1.993 1.457 1.00 0.00 N ATOM 634 CA ILE B 7 2.471 2.012 0.698 1.00 0.00 C ATOM 635 C ILE B 7 1.746 3.336 0.947 1.00 0.00 C ATOM 636 O ILE B 7 1.017 3.821 0.083 1.00 0.00 O ATOM 637 CB ILE B 7 1.627 0.778 1.020 1.00 0.00 C ATOM 638 CG1 ILE B 7 2.423 -0.508 0.786 1.00 0.00 C ATOM 639 CG2 ILE B 7 0.314 0.791 0.234 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.952 -0.571 -0.648 1.00 0.00 C ATOM 0 H ILE B 7 3.671 1.458 2.325 1.00 0.00 H new ATOM 0 HA ILE B 7 2.678 1.958 -0.371 1.00 0.00 H new ATOM 0 HB ILE B 7 1.369 0.808 2.079 1.00 0.00 H new ATOM 0 HG12 ILE B 7 3.256 -0.557 1.487 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.790 -1.373 0.982 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.267 -0.097 0.482 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.257 1.682 0.494 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.530 0.797 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE B 7 3.514 -1.494 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE B 7 2.115 -0.546 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE B 7 3.604 0.282 -0.833 1.00 0.00 H new ATOM 652 N ILE B 8 1.970 3.883 2.133 1.00 0.00 N ATOM 653 CA ILE B 8 1.361 5.150 2.500 1.00 0.00 C ATOM 654 C ILE B 8 1.826 6.235 1.525 1.00 0.00 C ATOM 655 O ILE B 8 1.011 6.988 0.995 1.00 0.00 O ATOM 656 CB ILE B 8 1.648 5.478 3.967 1.00 0.00 C ATOM 657 CG1 ILE B 8 1.218 4.328 4.880 1.00 0.00 C ATOM 658 CG2 ILE B 8 0.999 6.803 4.370 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.283 4.059 4.753 1.00 0.00 C ATOM 0 H ILE B 8 2.565 3.472 2.852 1.00 0.00 H new ATOM 0 HA ILE B 8 0.276 5.089 2.418 1.00 0.00 H new ATOM 0 HB ILE B 8 2.725 5.598 4.086 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.776 3.427 4.623 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.462 4.570 5.915 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.219 7.012 5.417 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.395 7.606 3.749 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.080 6.736 4.232 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.562 3.237 5.412 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.838 4.954 5.034 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.519 3.794 3.722 1.00 0.00 H new ATOM 671 N GLU B 9 3.134 6.279 1.320 1.00 0.00 N ATOM 672 CA GLU B 9 3.720 7.281 0.445 1.00 0.00 C ATOM 673 C GLU B 9 3.444 6.934 -1.019 1.00 0.00 C ATOM 674 O GLU B 9 3.671 7.753 -1.908 1.00 0.00 O ATOM 675 CB GLU B 9 5.222 7.421 0.702 1.00 0.00 C ATOM 676 CG GLU B 9 5.490 7.951 2.112 1.00 0.00 C ATOM 677 CD GLU B 9 6.993 8.065 2.378 1.00 0.00 C ATOM 678 OE1 GLU B 9 7.630 6.997 2.499 1.00 0.00 O ATOM 679 OE2 GLU B 9 7.470 9.218 2.454 1.00 0.00 O ATOM 0 H GLU B 9 3.804 5.638 1.744 1.00 0.00 H new ATOM 0 HA GLU B 9 3.256 8.243 0.663 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.708 6.454 0.575 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.659 8.096 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.021 8.927 2.233 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.036 7.286 2.847 1.00 0.00 H new ATOM 686 N ALA B 10 2.959 5.719 -1.225 1.00 0.00 N ATOM 687 CA ALA B 10 2.686 5.239 -2.569 1.00 0.00 C ATOM 688 C ALA B 10 1.383 5.862 -3.074 1.00 0.00 C ATOM 689 O ALA B 10 1.297 6.279 -4.228 1.00 0.00 O ATOM 690 CB ALA B 10 2.639 3.710 -2.566 1.00 0.00 C ATOM 0 H ALA B 10 2.748 5.052 -0.483 1.00 0.00 H new ATOM 0 HA ALA B 10 3.481 5.539 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.434 3.350 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.598 3.317 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.851 3.372 -1.893 1.00 0.00 H new ATOM 696 N VAL B 11 0.402 5.904 -2.185 1.00 0.00 N ATOM 697 CA VAL B 11 -0.887 6.486 -2.520 1.00 0.00 C ATOM 698 C VAL B 11 -0.746 8.006 -2.619 1.00 0.00 C ATOM 699 O VAL B 11 -1.488 8.655 -3.355 1.00 0.00 O ATOM 700 CB VAL B 11 -1.940 6.048 -1.500 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.216 6.881 -1.637 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.243 4.554 -1.631 1.00 0.00 C ATOM 0 H VAL B 11 0.473 5.545 -1.233 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.227 6.128 -3.492 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.533 6.220 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.948 6.549 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.984 7.933 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.627 6.755 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.994 4.269 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.619 4.346 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.331 3.981 -1.459 1.00 0.00 H new ATOM 712 N ALA B 12 0.212 8.529 -1.868 1.00 0.00 N ATOM 713 CA ALA B 12 0.456 9.962 -1.857 1.00 0.00 C ATOM 714 C ALA B 12 1.333 10.334 -3.055 1.00 0.00 C ATOM 715 O ALA B 12 1.739 11.487 -3.196 1.00 0.00 O ATOM 716 CB ALA B 12 1.090 10.362 -0.523 1.00 0.00 C ATOM 0 H ALA B 12 0.828 7.987 -1.263 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.480 10.512 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.273 11.437 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.415 10.103 0.293 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.034 9.832 -0.395 1.00 0.00 H new ATOM 722 N ALA B 13 1.598 9.338 -3.886 1.00 0.00 N ATOM 723 CA ALA B 13 2.435 9.542 -5.056 1.00 0.00 C ATOM 724 C ALA B 13 1.547 9.818 -6.271 1.00 0.00 C ATOM 725 O ALA B 13 1.979 10.459 -7.228 1.00 0.00 O ATOM 726 CB ALA B 13 3.337 8.323 -5.258 1.00 0.00 C ATOM 0 H ALA B 13 1.248 8.387 -3.773 1.00 0.00 H new ATOM 0 HA ALA B 13 3.083 10.407 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA B 13 3.965 8.476 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA B 13 3.968 8.188 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA B 13 2.722 7.435 -5.403 1.00 0.00 H new ATOM 732 N MET B 14 0.321 9.321 -6.193 1.00 0.00 N ATOM 733 CA MET B 14 -0.624 9.485 -7.284 1.00 0.00 C ATOM 734 C MET B 14 -1.559 10.669 -7.027 1.00 0.00 C ATOM 735 O MET B 14 -1.572 11.227 -5.930 1.00 0.00 O ATOM 736 CB MET B 14 -1.451 8.207 -7.441 1.00 0.00 C ATOM 737 CG MET B 14 -0.545 6.986 -7.608 1.00 0.00 C ATOM 738 SD MET B 14 -0.865 5.806 -6.307 1.00 0.00 S ATOM 739 CE MET B 14 -1.100 4.328 -7.279 1.00 0.00 C ATOM 0 H MET B 14 -0.039 8.804 -5.391 1.00 0.00 H new ATOM 0 HA MET B 14 -0.063 9.680 -8.198 1.00 0.00 H new ATOM 0 HB2 MET B 14 -2.090 8.074 -6.568 1.00 0.00 H new ATOM 0 HB3 MET B 14 -2.108 8.298 -8.306 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.719 6.524 -8.580 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.501 7.293 -7.583 1.00 0.00 H new ATOM 0 HE1 MET B 14 -1.311 3.487 -6.618 1.00 0.00 H new ATOM 0 HE2 MET B 14 -1.937 4.471 -7.962 1.00 0.00 H new ATOM 0 HE3 MET B 14 -0.196 4.121 -7.851 1.00 0.00 H new ATOM 749 N SER B 15 -2.317 11.018 -8.056 1.00 0.00 N ATOM 750 CA SER B 15 -3.247 12.130 -7.956 1.00 0.00 C ATOM 751 C SER B 15 -4.523 11.683 -7.240 1.00 0.00 C ATOM 752 O SER B 15 -4.814 10.489 -7.170 1.00 0.00 O ATOM 753 CB SER B 15 -3.585 12.691 -9.339 1.00 0.00 C ATOM 754 OG SER B 15 -3.401 11.722 -10.368 1.00 0.00 O ATOM 0 H SER B 15 -2.306 10.551 -8.963 1.00 0.00 H new ATOM 0 HA SER B 15 -2.771 12.922 -7.378 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.619 13.037 -9.347 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.957 13.559 -9.542 1.00 0.00 H new ATOM 0 HG SER B 15 -3.629 12.118 -11.235 1.00 0.00 H new ATOM 760 N VAL B 16 -5.250 12.664 -6.725 1.00 0.00 N ATOM 761 CA VAL B 16 -6.472 12.384 -5.991 1.00 0.00 C ATOM 762 C VAL B 16 -7.390 11.514 -6.851 1.00 0.00 C ATOM 763 O VAL B 16 -7.940 10.523 -6.372 1.00 0.00 O ATOM 764 CB VAL B 16 -7.129 13.693 -5.550 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.498 13.434 -4.918 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.221 14.468 -4.593 1.00 0.00 C ATOM 0 H VAL B 16 -5.016 13.654 -6.802 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.252 11.824 -5.082 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.281 14.307 -6.438 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.943 14.381 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.147 12.945 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.380 12.791 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.712 15.394 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -6.022 13.862 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.280 14.701 -5.092 1.00 0.00 H new ATOM 776 N MET B 17 -7.529 11.916 -8.105 1.00 0.00 N ATOM 777 CA MET B 17 -8.376 11.188 -9.035 1.00 0.00 C ATOM 778 C MET B 17 -7.925 9.732 -9.163 1.00 0.00 C ATOM 779 O MET B 17 -8.745 8.817 -9.103 1.00 0.00 O ATOM 780 CB MET B 17 -8.324 11.861 -10.408 1.00 0.00 C ATOM 781 CG MET B 17 -9.394 12.948 -10.527 1.00 0.00 C ATOM 782 SD MET B 17 -9.234 13.794 -12.090 1.00 0.00 S ATOM 783 CE MET B 17 -10.641 14.888 -11.996 1.00 0.00 C ATOM 0 H MET B 17 -7.069 12.737 -8.499 1.00 0.00 H new ATOM 0 HA MET B 17 -9.397 11.200 -8.653 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.338 12.298 -10.566 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.471 11.114 -11.189 1.00 0.00 H new ATOM 0 HG2 MET B 17 -10.386 12.504 -10.444 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.294 13.659 -9.707 1.00 0.00 H new ATOM 0 HE1 MET B 17 -10.691 15.495 -12.900 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.554 14.300 -11.902 1.00 0.00 H new ATOM 0 HE3 MET B 17 -10.538 15.539 -11.128 1.00 0.00 H new ATOM 793 N ASP B 18 -6.622 9.562 -9.336 1.00 0.00 N ATOM 794 CA ASP B 18 -6.054 8.234 -9.490 1.00 0.00 C ATOM 795 C ASP B 18 -6.388 7.395 -8.254 1.00 0.00 C ATOM 796 O ASP B 18 -6.607 6.190 -8.358 1.00 0.00 O ATOM 797 CB ASP B 18 -4.532 8.297 -9.621 1.00 0.00 C ATOM 798 CG ASP B 18 -3.837 6.941 -9.753 1.00 0.00 C ATOM 799 OD1 ASP B 18 -3.783 6.228 -8.728 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.375 6.647 -10.877 1.00 0.00 O ATOM 0 H ASP B 18 -5.944 10.323 -9.373 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.475 7.790 -10.392 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.282 8.902 -10.492 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.128 8.812 -8.749 1.00 0.00 H new ATOM 805 N VAL B 19 -6.414 8.067 -7.112 1.00 0.00 N ATOM 806 CA VAL B 19 -6.654 7.388 -5.850 1.00 0.00 C ATOM 807 C VAL B 19 -8.146 7.074 -5.720 1.00 0.00 C ATOM 808 O VAL B 19 -8.522 6.073 -5.111 1.00 0.00 O ATOM 809 CB VAL B 19 -6.118 8.233 -4.692 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.573 7.667 -3.345 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.594 8.344 -4.754 1.00 0.00 C ATOM 0 H VAL B 19 -6.273 9.074 -7.035 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.118 6.439 -5.819 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.531 9.237 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.179 8.285 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.662 7.664 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.203 6.648 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.239 8.949 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.154 7.349 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.301 8.813 -5.693 1.00 0.00 H new ATOM 821 N VAL B 20 -8.955 7.946 -6.303 1.00 0.00 N ATOM 822 CA VAL B 20 -10.396 7.763 -6.277 1.00 0.00 C ATOM 823 C VAL B 20 -10.757 6.489 -7.043 1.00 0.00 C ATOM 824 O VAL B 20 -11.581 5.698 -6.586 1.00 0.00 O ATOM 825 CB VAL B 20 -11.092 9.009 -6.828 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.512 8.684 -7.294 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.099 10.136 -5.793 1.00 0.00 C ATOM 0 H VAL B 20 -8.640 8.781 -6.796 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.747 7.638 -5.253 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.526 9.353 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.984 9.587 -7.681 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.473 7.930 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.092 8.303 -6.454 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.600 11.010 -6.210 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.629 9.806 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.073 10.396 -5.531 1.00 0.00 H new ATOM 837 N GLU B 21 -10.124 6.330 -8.196 1.00 0.00 N ATOM 838 CA GLU B 21 -10.351 5.154 -9.019 1.00 0.00 C ATOM 839 C GLU B 21 -9.958 3.888 -8.255 1.00 0.00 C ATOM 840 O GLU B 21 -10.707 2.912 -8.237 1.00 0.00 O ATOM 841 CB GLU B 21 -9.589 5.255 -10.341 1.00 0.00 C ATOM 842 CG GLU B 21 -10.258 6.256 -11.285 1.00 0.00 C ATOM 843 CD GLU B 21 -11.583 5.706 -11.818 1.00 0.00 C ATOM 844 OE1 GLU B 21 -11.517 4.785 -12.660 1.00 0.00 O ATOM 845 OE2 GLU B 21 -12.631 6.219 -11.370 1.00 0.00 O ATOM 0 H GLU B 21 -9.454 6.996 -8.580 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.414 5.098 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.561 5.562 -10.150 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.546 4.275 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.435 7.195 -10.760 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.591 6.478 -12.118 1.00 0.00 H new ATOM 852 N LEU B 22 -8.785 3.944 -7.642 1.00 0.00 N ATOM 853 CA LEU B 22 -8.294 2.822 -6.861 1.00 0.00 C ATOM 854 C LEU B 22 -9.321 2.467 -5.784 1.00 0.00 C ATOM 855 O LEU B 22 -9.909 1.387 -5.814 1.00 0.00 O ATOM 856 CB LEU B 22 -6.901 3.125 -6.306 1.00 0.00 C ATOM 857 CG LEU B 22 -6.231 1.995 -5.520 1.00 0.00 C ATOM 858 CD1 LEU B 22 -5.768 0.877 -6.456 1.00 0.00 C ATOM 859 CD2 LEU B 22 -5.088 2.530 -4.656 1.00 0.00 C ATOM 0 H LEU B 22 -8.160 4.750 -7.671 1.00 0.00 H new ATOM 0 HA LEU B 22 -8.176 1.941 -7.492 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.251 3.397 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.972 3.999 -5.658 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.970 1.564 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -5.295 0.087 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -6.627 0.470 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -5.051 1.277 -7.173 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.630 1.707 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -4.341 3.003 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.478 3.263 -3.950 1.00 0.00 H new ATOM 871 N ILE B 23 -9.506 3.397 -4.858 1.00 0.00 N ATOM 872 CA ILE B 23 -10.427 3.182 -3.755 1.00 0.00 C ATOM 873 C ILE B 23 -11.739 2.611 -4.297 1.00 0.00 C ATOM 874 O ILE B 23 -12.306 1.687 -3.714 1.00 0.00 O ATOM 875 CB ILE B 23 -10.605 4.469 -2.947 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.325 4.816 -2.182 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.818 4.371 -2.020 1.00 0.00 C ATOM 878 CD1 ILE B 23 -9.009 3.752 -1.130 1.00 0.00 C ATOM 0 H ILE B 23 -9.034 4.301 -4.849 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.022 2.448 -3.058 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.797 5.286 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.492 4.901 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -9.437 5.787 -1.700 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.922 5.299 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.717 4.204 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.681 3.540 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.095 4.023 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.833 3.687 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -8.873 2.787 -1.618 1.00 0.00 H new ATOM 890 N SER B 24 -12.184 3.184 -5.406 1.00 0.00 N ATOM 891 CA SER B 24 -13.436 2.766 -6.013 1.00 0.00 C ATOM 892 C SER B 24 -13.338 1.308 -6.466 1.00 0.00 C ATOM 893 O SER B 24 -14.292 0.545 -6.325 1.00 0.00 O ATOM 894 CB SER B 24 -13.801 3.665 -7.196 1.00 0.00 C ATOM 895 OG SER B 24 -14.500 4.835 -6.782 1.00 0.00 O ATOM 0 H SER B 24 -11.700 3.934 -5.900 1.00 0.00 H new ATOM 0 HA SER B 24 -14.224 2.855 -5.266 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.893 3.954 -7.726 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.416 3.105 -7.900 1.00 0.00 H new ATOM 0 HG SER B 24 -13.856 5.541 -6.564 1.00 0.00 H new ATOM 901 N ALA B 25 -12.174 0.964 -6.999 1.00 0.00 N ATOM 902 CA ALA B 25 -11.934 -0.392 -7.461 1.00 0.00 C ATOM 903 C ALA B 25 -12.071 -1.359 -6.283 1.00 0.00 C ATOM 904 O ALA B 25 -12.974 -2.194 -6.263 1.00 0.00 O ATOM 905 CB ALA B 25 -10.557 -0.470 -8.123 1.00 0.00 C ATOM 0 H ALA B 25 -11.387 1.602 -7.121 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.672 -0.679 -8.210 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.377 -1.488 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.522 0.214 -8.971 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.790 -0.192 -7.401 1.00 0.00 H new ATOM 911 N MET B 26 -11.161 -1.214 -5.331 1.00 0.00 N ATOM 912 CA MET B 26 -11.156 -2.078 -4.163 1.00 0.00 C ATOM 913 C MET B 26 -12.554 -2.176 -3.548 1.00 0.00 C ATOM 914 O MET B 26 -12.982 -3.255 -3.140 1.00 0.00 O ATOM 915 CB MET B 26 -10.179 -1.526 -3.124 1.00 0.00 C ATOM 916 CG MET B 26 -8.731 -1.687 -3.592 1.00 0.00 C ATOM 917 SD MET B 26 -7.629 -0.840 -2.472 1.00 0.00 S ATOM 918 CE MET B 26 -6.056 -1.405 -3.100 1.00 0.00 C ATOM 0 H MET B 26 -10.422 -0.511 -5.345 1.00 0.00 H new ATOM 0 HA MET B 26 -10.845 -3.076 -4.473 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.392 -0.472 -2.944 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.318 -2.046 -2.176 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.471 -2.745 -3.640 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.619 -1.285 -4.599 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.250 -0.887 -2.581 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.963 -2.478 -2.936 1.00 0.00 H new ATOM 0 HE3 MET B 26 -5.994 -1.195 -4.168 1.00 0.00 H new ATOM 928 N GLU B 27 -13.227 -1.035 -3.501 1.00 0.00 N ATOM 929 CA GLU B 27 -14.565 -0.978 -2.939 1.00 0.00 C ATOM 930 C GLU B 27 -15.440 -2.081 -3.539 1.00 0.00 C ATOM 931 O GLU B 27 -16.176 -2.755 -2.819 1.00 0.00 O ATOM 932 CB GLU B 27 -15.193 0.400 -3.157 1.00 0.00 C ATOM 933 CG GLU B 27 -14.980 1.299 -1.937 1.00 0.00 C ATOM 934 CD GLU B 27 -15.659 2.656 -2.131 1.00 0.00 C ATOM 935 OE1 GLU B 27 -15.156 3.426 -2.978 1.00 0.00 O ATOM 936 OE2 GLU B 27 -16.664 2.893 -1.428 1.00 0.00 O ATOM 0 H GLU B 27 -12.870 -0.143 -3.843 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.494 -1.142 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.755 0.868 -4.039 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.260 0.291 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -15.380 0.812 -1.048 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.913 1.443 -1.769 1.00 0.00 H new ATOM 943 N GLU B 28 -15.332 -2.230 -4.851 1.00 0.00 N ATOM 944 CA GLU B 28 -16.147 -3.199 -5.563 1.00 0.00 C ATOM 945 C GLU B 28 -15.545 -4.600 -5.430 1.00 0.00 C ATOM 946 O GLU B 28 -16.251 -5.555 -5.112 1.00 0.00 O ATOM 947 CB GLU B 28 -16.304 -2.808 -7.034 1.00 0.00 C ATOM 948 CG GLU B 28 -17.474 -3.554 -7.678 1.00 0.00 C ATOM 949 CD GLU B 28 -17.468 -3.376 -9.198 1.00 0.00 C ATOM 950 OE1 GLU B 28 -18.010 -2.345 -9.651 1.00 0.00 O ATOM 951 OE2 GLU B 28 -16.921 -4.275 -9.872 1.00 0.00 O ATOM 0 H GLU B 28 -14.692 -1.696 -5.439 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.141 -3.208 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.466 -1.733 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.384 -3.032 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.413 -4.614 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.415 -3.185 -7.269 1.00 0.00 H new ATOM 958 N LYS B 29 -14.246 -4.677 -5.679 1.00 0.00 N ATOM 959 CA LYS B 29 -13.548 -5.950 -5.626 1.00 0.00 C ATOM 960 C LYS B 29 -13.805 -6.612 -4.270 1.00 0.00 C ATOM 961 O LYS B 29 -14.427 -7.671 -4.200 1.00 0.00 O ATOM 962 CB LYS B 29 -12.064 -5.762 -5.947 1.00 0.00 C ATOM 963 CG LYS B 29 -11.300 -7.079 -5.801 1.00 0.00 C ATOM 964 CD LYS B 29 -10.869 -7.618 -7.167 1.00 0.00 C ATOM 965 CE LYS B 29 -12.075 -8.127 -7.960 1.00 0.00 C ATOM 966 NZ LYS B 29 -11.630 -8.843 -9.176 1.00 0.00 N ATOM 0 H LYS B 29 -13.659 -3.878 -5.918 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.932 -6.626 -6.390 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.953 -5.384 -6.963 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.636 -5.013 -5.280 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.422 -6.927 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.928 -7.814 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.365 -6.832 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.150 -8.426 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.673 -8.792 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.715 -7.290 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.460 -9.182 -9.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.079 -8.197 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.038 -9.654 -8.904 1.00 0.00 H new ATOM 980 N PHE B 30 -13.313 -5.960 -3.227 1.00 0.00 N ATOM 981 CA PHE B 30 -13.464 -6.482 -1.880 1.00 0.00 C ATOM 982 C PHE B 30 -14.894 -6.288 -1.373 1.00 0.00 C ATOM 983 O PHE B 30 -15.224 -6.698 -0.261 1.00 0.00 O ATOM 984 CB PHE B 30 -12.506 -5.693 -0.984 1.00 0.00 C ATOM 985 CG PHE B 30 -11.029 -6.019 -1.213 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.475 -7.113 -0.625 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.270 -5.214 -2.004 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.104 -7.415 -0.837 1.00 0.00 C ATOM 989 CE2 PHE B 30 -8.899 -5.516 -2.216 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.345 -6.611 -1.628 1.00 0.00 C ATOM 0 H PHE B 30 -12.810 -5.075 -3.288 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.245 -7.550 -1.869 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.663 -4.627 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -12.754 -5.891 0.059 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.078 -7.752 0.003 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.710 -4.345 -2.471 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.664 -8.284 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.296 -4.877 -2.844 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.302 -6.841 -1.790 1.00 0.00 H new ATOM 1000 N GLY B 31 -15.706 -5.663 -2.213 1.00 0.00 N ATOM 1001 CA GLY B 31 -17.094 -5.412 -1.866 1.00 0.00 C ATOM 1002 C GLY B 31 -17.216 -4.899 -0.430 1.00 0.00 C ATOM 1003 O GLY B 31 -17.992 -5.435 0.361 1.00 0.00 O ATOM 0 H GLY B 31 -15.429 -5.323 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -17.518 -4.681 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -17.672 -6.329 -1.979 1.00 0.00 H new ATOM 1007 N VAL B 32 -16.438 -3.868 -0.136 1.00 0.00 N ATOM 1008 CA VAL B 32 -16.453 -3.273 1.190 1.00 0.00 C ATOM 1009 C VAL B 32 -17.169 -1.923 1.131 1.00 0.00 C ATOM 1010 O VAL B 32 -16.652 -0.920 1.620 1.00 0.00 O ATOM 1011 CB VAL B 32 -15.027 -3.170 1.734 1.00 0.00 C ATOM 1012 CG1 VAL B 32 -14.154 -2.305 0.822 1.00 0.00 C ATOM 1013 CG2 VAL B 32 -15.023 -2.634 3.166 1.00 0.00 C ATOM 0 H VAL B 32 -15.793 -3.429 -0.793 1.00 0.00 H new ATOM 0 HA VAL B 32 -17.007 -3.904 1.885 1.00 0.00 H new ATOM 0 HB VAL B 32 -14.602 -4.174 1.752 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -13.145 -2.248 1.231 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -14.117 -2.748 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -14.577 -1.302 0.758 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -13.997 -2.571 3.528 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -15.476 -1.643 3.185 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -15.593 -3.306 3.808 1.00 0.00 H new ATOM 1023 N SER B 33 -18.349 -1.940 0.527 1.00 0.00 N ATOM 1024 CA SER B 33 -19.138 -0.728 0.392 1.00 0.00 C ATOM 1025 C SER B 33 -20.060 -0.565 1.602 1.00 0.00 C ATOM 1026 O SER B 33 -20.831 -1.467 1.925 1.00 0.00 O ATOM 1027 CB SER B 33 -19.957 -0.745 -0.900 1.00 0.00 C ATOM 1028 OG SER B 33 -20.819 -1.878 -0.971 1.00 0.00 O ATOM 0 H SER B 33 -18.777 -2.774 0.126 1.00 0.00 H new ATOM 0 HA SER B 33 -18.455 0.120 0.347 1.00 0.00 H new ATOM 0 HB2 SER B 33 -20.551 0.167 -0.965 1.00 0.00 H new ATOM 0 HB3 SER B 33 -19.283 -0.748 -1.757 1.00 0.00 H new ATOM 0 HG SER B 33 -21.019 -2.194 -0.065 1.00 0.00 H new ATOM 1034 N ALA B 34 -19.949 0.591 2.239 1.00 0.00 N ATOM 1035 CA ALA B 34 -20.764 0.884 3.406 1.00 0.00 C ATOM 1036 C ALA B 34 -21.332 2.299 3.283 1.00 0.00 C ATOM 1037 O ALA B 34 -20.922 3.203 4.010 1.00 0.00 O ATOM 1038 CB ALA B 34 -19.927 0.700 4.673 1.00 0.00 C ATOM 0 H ALA B 34 -19.307 1.336 1.969 1.00 0.00 H new ATOM 0 HA ALA B 34 -21.606 0.195 3.469 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -20.538 0.920 5.548 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -19.571 -0.329 4.728 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -19.074 1.378 4.647 1.00 0.00 H new ATOM 1044 N ALA B 35 -22.269 2.449 2.358 1.00 0.00 N ATOM 1045 CA ALA B 35 -22.897 3.739 2.130 1.00 0.00 C ATOM 1046 C ALA B 35 -24.226 3.532 1.399 1.00 0.00 C ATOM 1047 O ALA B 35 -24.270 3.538 0.170 1.00 0.00 O ATOM 1048 CB ALA B 35 -21.939 4.643 1.353 1.00 0.00 C ATOM 0 H ALA B 35 -22.608 1.698 1.757 1.00 0.00 H new ATOM 0 HA ALA B 35 -23.115 4.233 3.077 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -22.410 5.611 1.182 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -21.023 4.782 1.928 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -21.700 4.182 0.395 1.00 0.00 H new ATOM 1054 N ALA B 36 -25.276 3.354 2.187 1.00 0.00 N ATOM 1055 CA ALA B 36 -26.600 3.135 1.630 1.00 0.00 C ATOM 1056 C ALA B 36 -26.616 1.808 0.869 1.00 0.00 C ATOM 1057 O ALA B 36 -25.679 1.498 0.135 1.00 0.00 O ATOM 1058 CB ALA B 36 -26.983 4.321 0.742 1.00 0.00 C ATOM 0 H ALA B 36 -25.237 3.357 3.206 1.00 0.00 H new ATOM 0 HA ALA B 36 -27.344 3.068 2.424 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -27.976 4.157 0.324 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -26.986 5.235 1.336 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -26.260 4.418 -0.068 1.00 0.00 H new ATOM 1064 N ALA B 37 -27.691 1.059 1.071 1.00 0.00 N ATOM 1065 CA ALA B 37 -27.840 -0.228 0.414 1.00 0.00 C ATOM 1066 C ALA B 37 -29.082 -0.199 -0.479 1.00 0.00 C ATOM 1067 O ALA B 37 -30.205 -0.308 0.009 1.00 0.00 O ATOM 1068 CB ALA B 37 -27.907 -1.335 1.468 1.00 0.00 C ATOM 0 H ALA B 37 -28.467 1.319 1.680 1.00 0.00 H new ATOM 0 HA ALA B 37 -26.980 -0.435 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -28.019 -2.301 0.975 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -26.990 -1.332 2.057 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -28.760 -1.162 2.124 1.00 0.00 H new TER 1074 ALA B 37