USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 GLY N :NH3+ 159:sc= 0.98 (180deg=0) USER MOD Set 1.2: A 3 MET CE :methyl -175:sc= -0.682 (180deg=-0.708) USER MOD Set 1.3: A 5 GLN : amide:sc= 0.836 K(o=2.3,f=-4.4) USER MOD Set 1.4: B 1 GLY N :NH3+ 164:sc= 1.04 (180deg=0) USER MOD Set 1.5: B 3 MET CE :methyl -175:sc= -0.61 (180deg=-0.692) USER MOD Set 1.6: B 5 GLN : amide:sc= 0.717 K(o=2.3,f=-4.6) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= -0.0408 (180deg=-0.22) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -95:sc= 1.35 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -3.59! (180deg=-3.93!) USER MOD Single : A 17 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.81!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc=-0.00231 X(o=-0.0023,f=0) USER MOD Single : A 22 ASN : amide:sc= 1.12 K(o=1.1,f=-0.091) USER MOD Single : A 28 LYS NZ :NH3+ -130:sc= -0.0956 (180deg=-1.09) USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= 0.0464 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ -168:sc= -0.0363 (180deg=-0.211) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot -95:sc= 1.34 USER MOD Single : B 16 LYS NZ :NH3+ -167:sc= -3.64! (180deg=-3.89!) USER MOD Single : B 17 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.95!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.002 X(o=-0.002,f=0) USER MOD Single : B 22 ASN : amide:sc= 1.11 K(o=1.1,f=-0.082) USER MOD Single : B 28 LYS NZ :NH3+ -131:sc= -0.0993 (180deg=-1.08) USER MOD Single : B 29 LYS NZ :NH3+ 141:sc= 0.0614 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.139 -1.241 5.131 1.00 0.00 N ATOM 2 CA GLY A 1 22.000 0.197 5.458 1.00 0.00 C ATOM 3 C GLY A 1 20.663 0.746 5.014 1.00 0.00 C ATOM 4 O GLY A 1 19.757 -0.017 4.672 1.00 0.00 O ATOM 0 H1 GLY A 1 23.147 -1.497 5.113 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.650 -1.810 5.852 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.717 -1.427 4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.112 0.338 6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.801 0.758 4.978 1.00 0.00 H new ATOM 10 N SER A 2 20.535 2.064 5.026 1.00 0.00 N ATOM 11 CA SER A 2 19.320 2.717 4.568 1.00 0.00 C ATOM 12 C SER A 2 19.645 3.731 3.473 1.00 0.00 C ATOM 13 O SER A 2 19.267 3.542 2.316 1.00 0.00 O ATOM 14 CB SER A 2 18.613 3.405 5.741 1.00 0.00 C ATOM 15 OG SER A 2 18.304 2.477 6.770 1.00 0.00 O ATOM 0 H SER A 2 21.261 2.704 5.349 1.00 0.00 H new ATOM 0 HA SER A 2 18.651 1.962 4.154 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.249 4.195 6.139 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.697 3.880 5.389 1.00 0.00 H new ATOM 0 HG SER A 2 17.855 2.943 7.506 1.00 0.00 H new ATOM 21 N MET A 3 20.373 4.786 3.851 1.00 0.00 N ATOM 22 CA MET A 3 20.776 5.865 2.942 1.00 0.00 C ATOM 23 C MET A 3 19.645 6.295 1.995 1.00 0.00 C ATOM 24 O MET A 3 18.458 6.095 2.277 1.00 0.00 O ATOM 25 CB MET A 3 22.062 5.500 2.153 1.00 0.00 C ATOM 26 CG MET A 3 21.965 4.273 1.249 1.00 0.00 C ATOM 27 SD MET A 3 22.388 2.733 2.092 1.00 0.00 S ATOM 28 CE MET A 3 22.094 1.539 0.789 1.00 0.00 C ATOM 0 H MET A 3 20.703 4.917 4.807 1.00 0.00 H new ATOM 0 HA MET A 3 21.003 6.726 3.571 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.345 6.357 1.541 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.869 5.338 2.867 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.951 4.198 0.857 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.628 4.406 0.394 1.00 0.00 H new ATOM 0 HE1 MET A 3 22.226 0.531 1.182 1.00 0.00 H new ATOM 0 HE2 MET A 3 21.077 1.652 0.415 1.00 0.00 H new ATOM 0 HE3 MET A 3 22.800 1.706 -0.024 1.00 0.00 H new ATOM 38 N LYS A 4 20.018 6.912 0.887 1.00 0.00 N ATOM 39 CA LYS A 4 19.048 7.447 -0.057 1.00 0.00 C ATOM 40 C LYS A 4 18.323 6.323 -0.789 1.00 0.00 C ATOM 41 O LYS A 4 17.133 6.433 -1.090 1.00 0.00 O ATOM 42 CB LYS A 4 19.745 8.367 -1.066 1.00 0.00 C ATOM 43 CG LYS A 4 18.796 9.031 -2.051 1.00 0.00 C ATOM 44 CD LYS A 4 19.536 9.899 -3.059 1.00 0.00 C ATOM 45 CE LYS A 4 20.275 11.049 -2.388 1.00 0.00 C ATOM 46 NZ LYS A 4 19.360 11.929 -1.615 1.00 0.00 N ATOM 0 H LYS A 4 20.991 7.056 0.617 1.00 0.00 H new ATOM 0 HA LYS A 4 18.311 8.023 0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.289 9.140 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.483 7.788 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.228 8.265 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.077 9.642 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.247 9.286 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.826 10.298 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.039 10.648 -1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.790 11.639 -3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.860 12.800 -1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.534 12.170 -2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.044 11.433 -0.757 1.00 0.00 H new ATOM 60 N GLN A 5 19.046 5.239 -1.050 1.00 0.00 N ATOM 61 CA GLN A 5 18.513 4.118 -1.817 1.00 0.00 C ATOM 62 C GLN A 5 17.239 3.572 -1.182 1.00 0.00 C ATOM 63 O GLN A 5 16.175 3.576 -1.805 1.00 0.00 O ATOM 64 CB GLN A 5 19.554 3.000 -1.930 1.00 0.00 C ATOM 65 CG GLN A 5 20.907 3.474 -2.435 1.00 0.00 C ATOM 66 CD GLN A 5 21.856 2.334 -2.738 1.00 0.00 C ATOM 67 OE1 GLN A 5 21.442 1.252 -3.148 1.00 0.00 O ATOM 68 NE2 GLN A 5 23.142 2.569 -2.537 1.00 0.00 N ATOM 0 H GLN A 5 20.009 5.113 -0.739 1.00 0.00 H new ATOM 0 HA GLN A 5 18.273 4.485 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.683 2.536 -0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 5 19.175 2.229 -2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 5 20.764 4.070 -3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 5 21.359 4.128 -1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 5 23.447 3.481 -2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 5 23.829 1.839 -2.723 1.00 0.00 H new ATOM 77 N LEU A 6 17.346 3.141 0.068 1.00 0.00 N ATOM 78 CA LEU A 6 16.223 2.509 0.753 1.00 0.00 C ATOM 79 C LEU A 6 15.067 3.486 0.917 1.00 0.00 C ATOM 80 O LEU A 6 13.925 3.160 0.597 1.00 0.00 O ATOM 81 CB LEU A 6 16.647 1.961 2.128 1.00 0.00 C ATOM 82 CG LEU A 6 17.381 0.609 2.129 1.00 0.00 C ATOM 83 CD1 LEU A 6 16.495 -0.485 1.562 1.00 0.00 C ATOM 84 CD2 LEU A 6 18.686 0.682 1.353 1.00 0.00 C ATOM 0 H LEU A 6 18.195 3.216 0.628 1.00 0.00 H new ATOM 0 HA LEU A 6 15.891 1.674 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.290 2.699 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.755 1.866 2.748 1.00 0.00 H new ATOM 0 HG LEU A 6 17.618 0.368 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 6 17.035 -1.432 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.594 -0.574 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 6 16.220 -0.236 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 6 19.177 -0.291 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.480 0.961 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 6 19.338 1.428 1.807 1.00 0.00 H new ATOM 96 N GLU A 7 15.374 4.694 1.385 1.00 0.00 N ATOM 97 CA GLU A 7 14.350 5.703 1.640 1.00 0.00 C ATOM 98 C GLU A 7 13.567 6.046 0.374 1.00 0.00 C ATOM 99 O GLU A 7 12.350 6.236 0.415 1.00 0.00 O ATOM 100 CB GLU A 7 14.980 6.975 2.211 1.00 0.00 C ATOM 101 CG GLU A 7 15.629 6.783 3.571 1.00 0.00 C ATOM 102 CD GLU A 7 16.182 8.077 4.135 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.367 8.377 3.883 1.00 0.00 O ATOM 104 OE2 GLU A 7 15.428 8.792 4.828 1.00 0.00 O ATOM 0 H GLU A 7 16.325 4.997 1.595 1.00 0.00 H new ATOM 0 HA GLU A 7 13.656 5.282 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.729 7.344 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.212 7.745 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.897 6.371 4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 7 16.434 6.053 3.487 1.00 0.00 H new ATOM 111 N ASP A 8 14.265 6.112 -0.752 1.00 0.00 N ATOM 112 CA ASP A 8 13.643 6.510 -2.010 1.00 0.00 C ATOM 113 C ASP A 8 12.892 5.358 -2.661 1.00 0.00 C ATOM 114 O ASP A 8 12.214 5.550 -3.663 1.00 0.00 O ATOM 115 CB ASP A 8 14.683 7.067 -2.979 1.00 0.00 C ATOM 116 CG ASP A 8 15.007 8.523 -2.707 1.00 0.00 C ATOM 117 OD1 ASP A 8 14.685 9.372 -3.563 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.574 8.817 -1.634 1.00 0.00 O ATOM 0 H ASP A 8 15.259 5.896 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 8 12.921 7.292 -1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 8 15.596 6.475 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.316 6.964 -4.000 1.00 0.00 H new ATOM 123 N LYS A 9 13.049 4.156 -2.128 1.00 0.00 N ATOM 124 CA LYS A 9 12.264 3.019 -2.596 1.00 0.00 C ATOM 125 C LYS A 9 11.095 2.714 -1.660 1.00 0.00 C ATOM 126 O LYS A 9 9.930 2.795 -2.056 1.00 0.00 O ATOM 127 CB LYS A 9 13.141 1.777 -2.765 1.00 0.00 C ATOM 128 CG LYS A 9 13.624 1.559 -4.192 1.00 0.00 C ATOM 129 CD LYS A 9 14.557 2.666 -4.653 1.00 0.00 C ATOM 130 CE LYS A 9 14.975 2.468 -6.100 1.00 0.00 C ATOM 131 NZ LYS A 9 15.920 3.518 -6.554 1.00 0.00 N ATOM 0 H LYS A 9 13.706 3.941 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 9 11.855 3.293 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.006 1.861 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.580 0.900 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 9 14.139 0.600 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.765 1.507 -4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.062 3.631 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.441 2.688 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.440 1.489 -6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.091 2.476 -6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.180 3.346 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.468 4.451 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.775 3.494 -5.963 1.00 0.00 H new ATOM 145 N VAL A 10 11.415 2.387 -0.413 1.00 0.00 N ATOM 146 CA VAL A 10 10.424 1.881 0.534 1.00 0.00 C ATOM 147 C VAL A 10 9.373 2.938 0.891 1.00 0.00 C ATOM 148 O VAL A 10 8.185 2.630 0.979 1.00 0.00 O ATOM 149 CB VAL A 10 11.105 1.337 1.812 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.740 2.444 2.642 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.118 0.537 2.639 1.00 0.00 C ATOM 0 H VAL A 10 12.358 2.463 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 10 9.904 1.060 0.041 1.00 0.00 H new ATOM 0 HB VAL A 10 11.912 0.677 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.205 2.013 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.497 2.956 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.973 3.157 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.614 0.162 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.283 1.176 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.747 -0.302 2.051 1.00 0.00 H new ATOM 161 N GLU A 11 9.803 4.183 1.066 1.00 0.00 N ATOM 162 CA GLU A 11 8.881 5.255 1.414 1.00 0.00 C ATOM 163 C GLU A 11 8.176 5.761 0.158 1.00 0.00 C ATOM 164 O GLU A 11 7.001 6.144 0.192 1.00 0.00 O ATOM 165 CB GLU A 11 9.629 6.392 2.118 1.00 0.00 C ATOM 166 CG GLU A 11 8.722 7.491 2.646 1.00 0.00 C ATOM 167 CD GLU A 11 9.471 8.514 3.476 1.00 0.00 C ATOM 168 OE1 GLU A 11 9.528 8.347 4.711 1.00 0.00 O ATOM 169 OE2 GLU A 11 9.998 9.483 2.892 1.00 0.00 O ATOM 0 H GLU A 11 10.777 4.472 0.973 1.00 0.00 H new ATOM 0 HA GLU A 11 8.128 4.870 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.202 5.978 2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.345 6.829 1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.238 7.992 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.932 7.046 3.250 1.00 0.00 H new ATOM 176 N GLU A 12 8.898 5.742 -0.956 1.00 0.00 N ATOM 177 CA GLU A 12 8.315 6.089 -2.246 1.00 0.00 C ATOM 178 C GLU A 12 7.112 5.195 -2.523 1.00 0.00 C ATOM 179 O GLU A 12 6.036 5.684 -2.840 1.00 0.00 O ATOM 180 CB GLU A 12 9.356 5.949 -3.361 1.00 0.00 C ATOM 181 CG GLU A 12 9.034 6.720 -4.640 1.00 0.00 C ATOM 182 CD GLU A 12 7.875 6.136 -5.428 1.00 0.00 C ATOM 183 OE1 GLU A 12 6.793 6.762 -5.449 1.00 0.00 O ATOM 184 OE2 GLU A 12 8.049 5.051 -6.019 1.00 0.00 O ATOM 0 H GLU A 12 9.886 5.491 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 12 7.986 7.128 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.321 6.288 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.463 4.893 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.803 7.754 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.920 6.740 -5.275 1.00 0.00 H new ATOM 191 N LEU A 13 7.292 3.884 -2.405 1.00 0.00 N ATOM 192 CA LEU A 13 6.179 2.960 -2.556 1.00 0.00 C ATOM 193 C LEU A 13 5.232 2.977 -1.362 1.00 0.00 C ATOM 194 O LEU A 13 4.163 2.365 -1.411 1.00 0.00 O ATOM 195 CB LEU A 13 6.654 1.541 -2.839 1.00 0.00 C ATOM 196 CG LEU A 13 6.727 1.219 -4.325 1.00 0.00 C ATOM 197 CD1 LEU A 13 8.010 1.767 -4.925 1.00 0.00 C ATOM 198 CD2 LEU A 13 6.608 -0.279 -4.572 1.00 0.00 C ATOM 0 H LEU A 13 8.190 3.442 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 13 5.617 3.312 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.639 1.399 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.980 0.835 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 13 5.883 1.702 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.046 1.528 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.039 2.849 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.867 1.318 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.664 -0.477 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.422 -0.797 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.653 -0.637 -4.186 1.00 0.00 H new ATOM 210 N LEU A 14 5.618 3.639 -0.282 1.00 0.00 N ATOM 211 CA LEU A 14 4.720 3.817 0.841 1.00 0.00 C ATOM 212 C LEU A 14 3.641 4.830 0.477 1.00 0.00 C ATOM 213 O LEU A 14 2.636 4.950 1.167 1.00 0.00 O ATOM 214 CB LEU A 14 5.483 4.282 2.086 1.00 0.00 C ATOM 215 CG LEU A 14 4.657 4.374 3.370 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.898 3.165 4.257 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.980 5.650 4.119 1.00 0.00 C ATOM 0 H LEU A 14 6.540 4.058 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 14 4.255 2.858 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.314 3.598 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.914 5.262 1.881 1.00 0.00 H new ATOM 0 HG LEU A 14 3.603 4.390 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.300 3.254 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.614 2.259 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.954 3.113 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.383 5.698 5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.039 5.662 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.751 6.510 3.489 1.00 0.00 H new ATOM 229 N SER A 15 3.859 5.563 -0.612 1.00 0.00 N ATOM 230 CA SER A 15 2.847 6.481 -1.128 1.00 0.00 C ATOM 231 C SER A 15 1.499 5.776 -1.315 1.00 0.00 C ATOM 232 O SER A 15 0.455 6.315 -0.929 1.00 0.00 O ATOM 233 CB SER A 15 3.303 7.104 -2.449 1.00 0.00 C ATOM 234 OG SER A 15 3.563 6.108 -3.426 1.00 0.00 O ATOM 0 H SER A 15 4.724 5.540 -1.152 1.00 0.00 H new ATOM 0 HA SER A 15 2.717 7.274 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.536 7.785 -2.816 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.202 7.697 -2.283 1.00 0.00 H new ATOM 0 HG SER A 15 4.519 5.894 -3.429 1.00 0.00 H new ATOM 240 N LYS A 16 1.508 4.567 -1.897 1.00 0.00 N ATOM 241 CA LYS A 16 0.255 3.829 -2.092 1.00 0.00 C ATOM 242 C LYS A 16 -0.412 3.443 -0.764 1.00 0.00 C ATOM 243 O LYS A 16 -1.573 3.047 -0.757 1.00 0.00 O ATOM 244 CB LYS A 16 0.466 2.568 -2.946 1.00 0.00 C ATOM 245 CG LYS A 16 1.328 1.510 -2.284 1.00 0.00 C ATOM 246 CD LYS A 16 1.380 0.243 -3.119 1.00 0.00 C ATOM 247 CE LYS A 16 2.609 -0.585 -2.790 1.00 0.00 C ATOM 248 NZ LYS A 16 3.850 0.164 -3.088 1.00 0.00 N ATOM 0 H LYS A 16 2.346 4.091 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.412 4.510 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.506 2.135 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.924 2.855 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.337 1.896 -2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.932 1.281 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.482 -0.349 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.387 0.503 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.593 -0.863 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.592 -1.511 -3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.663 -0.483 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.784 0.582 -4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.976 0.920 -2.385 1.00 0.00 H new ATOM 262 N ASN A 17 0.305 3.565 0.354 1.00 0.00 N ATOM 263 CA ASN A 17 -0.264 3.244 1.665 1.00 0.00 C ATOM 264 C ASN A 17 -1.408 4.197 1.961 1.00 0.00 C ATOM 265 O ASN A 17 -2.494 3.790 2.366 1.00 0.00 O ATOM 266 CB ASN A 17 0.802 3.372 2.760 1.00 0.00 C ATOM 267 CG ASN A 17 0.437 2.662 4.053 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.734 2.514 4.399 1.00 0.00 O ATOM 269 ND2 ASN A 17 1.455 2.234 4.788 1.00 0.00 N ATOM 0 H ASN A 17 1.274 3.881 0.379 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.628 2.217 1.650 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.743 2.968 2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.969 4.428 2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.281 1.763 5.676 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.412 2.376 4.466 1.00 0.00 H new ATOM 276 N TYR A 18 -1.149 5.473 1.717 1.00 0.00 N ATOM 277 CA TYR A 18 -2.128 6.519 1.955 1.00 0.00 C ATOM 278 C TYR A 18 -3.167 6.518 0.846 1.00 0.00 C ATOM 279 O TYR A 18 -4.357 6.687 1.097 1.00 0.00 O ATOM 280 CB TYR A 18 -1.443 7.886 2.015 1.00 0.00 C ATOM 281 CG TYR A 18 -0.274 7.947 2.971 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.474 8.097 4.336 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.031 7.860 2.504 1.00 0.00 C ATOM 284 CE1 TYR A 18 0.595 8.161 5.210 1.00 0.00 C ATOM 285 CE2 TYR A 18 2.105 7.921 3.372 1.00 0.00 C ATOM 286 CZ TYR A 18 1.881 8.071 4.723 1.00 0.00 C ATOM 287 OH TYR A 18 2.950 8.136 5.591 1.00 0.00 O ATOM 0 H TYR A 18 -0.259 5.810 1.350 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.617 6.326 2.910 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.096 8.151 1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.178 8.636 2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.481 8.165 4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.210 7.743 1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.423 8.281 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.114 7.851 2.993 1.00 0.00 H new ATOM 0 HH TYR A 18 3.786 8.056 5.087 1.00 0.00 H new ATOM 297 N HIS A 19 -2.703 6.308 -0.380 1.00 0.00 N ATOM 298 CA HIS A 19 -3.578 6.332 -1.548 1.00 0.00 C ATOM 299 C HIS A 19 -4.629 5.235 -1.456 1.00 0.00 C ATOM 300 O HIS A 19 -5.827 5.501 -1.553 1.00 0.00 O ATOM 301 CB HIS A 19 -2.773 6.171 -2.840 1.00 0.00 C ATOM 302 CG HIS A 19 -1.805 7.286 -3.102 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.823 7.219 -4.065 1.00 0.00 N ATOM 304 CD2 HIS A 19 -1.674 8.503 -2.524 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.131 8.343 -4.066 1.00 0.00 C ATOM 306 NE2 HIS A 19 -0.628 9.137 -3.141 1.00 0.00 N ATOM 0 H HIS A 19 -1.723 6.119 -0.592 1.00 0.00 H new ATOM 0 HA HIS A 19 -4.078 7.300 -1.567 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.224 5.230 -2.798 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.464 6.100 -3.680 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.282 8.901 -1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.701 8.572 -4.715 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.289 10.073 -2.919 1.00 0.00 H new ATOM 315 N LEU A 20 -4.175 4.005 -1.245 1.00 0.00 N ATOM 316 CA LEU A 20 -5.073 2.864 -1.138 1.00 0.00 C ATOM 317 C LEU A 20 -5.950 2.974 0.103 1.00 0.00 C ATOM 318 O LEU A 20 -7.112 2.572 0.084 1.00 0.00 O ATOM 319 CB LEU A 20 -4.278 1.555 -1.113 1.00 0.00 C ATOM 320 CG LEU A 20 -4.272 0.752 -2.422 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.642 0.157 -2.694 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.844 1.620 -3.594 1.00 0.00 C ATOM 0 H LEU A 20 -3.187 3.773 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.721 2.863 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.247 1.783 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.681 0.922 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.551 -0.058 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.615 -0.408 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.919 -0.507 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.377 0.958 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.849 1.026 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.537 2.455 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.839 2.003 -3.415 1.00 0.00 H new ATOM 334 N GLU A 21 -5.402 3.539 1.177 1.00 0.00 N ATOM 335 CA GLU A 21 -6.170 3.713 2.406 1.00 0.00 C ATOM 336 C GLU A 21 -7.327 4.679 2.170 1.00 0.00 C ATOM 337 O GLU A 21 -8.438 4.466 2.657 1.00 0.00 O ATOM 338 CB GLU A 21 -5.279 4.224 3.540 1.00 0.00 C ATOM 339 CG GLU A 21 -5.947 4.174 4.905 1.00 0.00 C ATOM 340 CD GLU A 21 -5.048 4.687 6.012 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.125 3.950 6.415 1.00 0.00 O ATOM 342 OE2 GLU A 21 -5.271 5.823 6.479 1.00 0.00 O ATOM 0 H GLU A 21 -4.442 3.880 1.221 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.571 2.742 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.365 3.630 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.985 5.251 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.861 4.767 4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.239 3.147 5.125 1.00 0.00 H new ATOM 349 N ASN A 22 -7.061 5.727 1.395 1.00 0.00 N ATOM 350 CA ASN A 22 -8.085 6.710 1.054 1.00 0.00 C ATOM 351 C ASN A 22 -9.161 6.093 0.168 1.00 0.00 C ATOM 352 O ASN A 22 -10.297 6.571 0.128 1.00 0.00 O ATOM 353 CB ASN A 22 -7.469 7.931 0.365 1.00 0.00 C ATOM 354 CG ASN A 22 -7.009 8.985 1.356 1.00 0.00 C ATOM 355 OD1 ASN A 22 -7.771 9.878 1.730 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.766 8.889 1.794 1.00 0.00 N ATOM 0 H ASN A 22 -6.144 5.917 0.991 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.549 7.038 1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.622 7.613 -0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.201 8.369 -0.314 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.408 9.569 2.465 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.165 8.135 1.461 1.00 0.00 H new ATOM 363 N GLU A 23 -8.806 5.024 -0.535 1.00 0.00 N ATOM 364 CA GLU A 23 -9.760 4.325 -1.383 1.00 0.00 C ATOM 365 C GLU A 23 -10.677 3.462 -0.525 1.00 0.00 C ATOM 366 O GLU A 23 -11.896 3.489 -0.684 1.00 0.00 O ATOM 367 CB GLU A 23 -9.044 3.453 -2.420 1.00 0.00 C ATOM 368 CG GLU A 23 -8.031 4.206 -3.271 1.00 0.00 C ATOM 369 CD GLU A 23 -8.619 5.428 -3.952 1.00 0.00 C ATOM 370 OE1 GLU A 23 -9.318 5.265 -4.973 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.372 6.550 -3.463 1.00 0.00 O ATOM 0 H GLU A 23 -7.868 4.624 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.352 5.069 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.536 2.638 -1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.789 3.001 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.195 4.514 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.630 3.533 -4.029 1.00 0.00 H new ATOM 378 N VAL A 24 -10.081 2.716 0.403 1.00 0.00 N ATOM 379 CA VAL A 24 -10.843 1.841 1.287 1.00 0.00 C ATOM 380 C VAL A 24 -11.781 2.657 2.177 1.00 0.00 C ATOM 381 O VAL A 24 -12.931 2.272 2.409 1.00 0.00 O ATOM 382 CB VAL A 24 -9.919 0.971 2.177 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.731 -0.001 3.018 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.923 0.210 1.330 1.00 0.00 C ATOM 0 H VAL A 24 -9.073 2.701 0.561 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.428 1.178 0.650 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.376 1.640 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.059 -0.599 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.413 0.556 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.305 -0.657 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.284 -0.394 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.457 -0.439 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.309 0.915 0.769 1.00 0.00 H new ATOM 394 N ALA A 25 -11.293 3.798 2.649 1.00 0.00 N ATOM 395 CA ALA A 25 -12.068 4.648 3.545 1.00 0.00 C ATOM 396 C ALA A 25 -13.243 5.307 2.828 1.00 0.00 C ATOM 397 O ALA A 25 -14.273 5.585 3.443 1.00 0.00 O ATOM 398 CB ALA A 25 -11.181 5.707 4.176 1.00 0.00 C ATOM 0 H ALA A 25 -10.364 4.156 2.426 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.473 4.008 4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.777 6.332 4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.387 5.224 4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.741 6.326 3.394 1.00 0.00 H new ATOM 404 N ARG A 26 -13.094 5.552 1.531 1.00 0.00 N ATOM 405 CA ARG A 26 -14.157 6.191 0.762 1.00 0.00 C ATOM 406 C ARG A 26 -15.325 5.228 0.592 1.00 0.00 C ATOM 407 O ARG A 26 -16.492 5.612 0.688 1.00 0.00 O ATOM 408 CB ARG A 26 -13.626 6.675 -0.598 1.00 0.00 C ATOM 409 CG ARG A 26 -13.791 5.702 -1.763 1.00 0.00 C ATOM 410 CD ARG A 26 -13.247 6.305 -3.047 1.00 0.00 C ATOM 411 NE ARG A 26 -13.507 5.465 -4.215 1.00 0.00 N ATOM 412 CZ ARG A 26 -12.970 5.680 -5.416 1.00 0.00 C ATOM 413 NH1 ARG A 26 -12.130 6.691 -5.601 1.00 0.00 N ATOM 414 NH2 ARG A 26 -13.270 4.885 -6.432 1.00 0.00 N ATOM 0 H ARG A 26 -12.258 5.321 0.994 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.513 7.066 1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.132 7.606 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.566 6.907 -0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.269 4.771 -1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.845 5.454 -1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.696 7.286 -3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.173 6.458 -2.946 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.135 4.669 -4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.893 7.306 -4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.721 6.852 -6.521 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.914 4.105 -6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.857 5.052 -7.350 1.00 0.00 H new ATOM 428 N LEU A 27 -14.992 3.970 0.360 1.00 0.00 N ATOM 429 CA LEU A 27 -15.991 2.917 0.249 1.00 0.00 C ATOM 430 C LEU A 27 -16.671 2.661 1.587 1.00 0.00 C ATOM 431 O LEU A 27 -17.843 2.294 1.629 1.00 0.00 O ATOM 432 CB LEU A 27 -15.349 1.643 -0.269 1.00 0.00 C ATOM 433 CG LEU A 27 -14.894 1.708 -1.722 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.567 1.006 -1.888 1.00 0.00 C ATOM 435 CD2 LEU A 27 -15.939 1.096 -2.638 1.00 0.00 C ATOM 0 H LEU A 27 -14.031 3.650 0.244 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.754 3.244 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.489 1.404 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.059 0.824 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.770 2.755 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.255 1.060 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.819 1.489 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.669 -0.039 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.595 1.152 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.097 0.053 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.876 1.643 -2.537 1.00 0.00 H new ATOM 447 N LYS A 28 -15.931 2.849 2.678 1.00 0.00 N ATOM 448 CA LYS A 28 -16.509 2.784 4.021 1.00 0.00 C ATOM 449 C LYS A 28 -17.741 3.680 4.126 1.00 0.00 C ATOM 450 O LYS A 28 -18.760 3.292 4.698 1.00 0.00 O ATOM 451 CB LYS A 28 -15.485 3.214 5.075 1.00 0.00 C ATOM 452 CG LYS A 28 -14.402 2.187 5.358 1.00 0.00 C ATOM 453 CD LYS A 28 -14.972 0.946 6.025 1.00 0.00 C ATOM 454 CE LYS A 28 -13.874 0.065 6.595 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.945 -0.426 5.545 1.00 0.00 N ATOM 0 H LYS A 28 -14.931 3.047 2.660 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.800 1.750 4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.013 4.140 4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.010 3.435 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.912 1.907 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.639 2.628 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.654 1.241 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.556 0.378 5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.312 0.626 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.323 -0.786 7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.830 -1.456 5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.333 -0.203 4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.020 0.037 5.656 1.00 0.00 H new ATOM 469 N LYS A 29 -17.644 4.875 3.557 1.00 0.00 N ATOM 470 CA LYS A 29 -18.741 5.826 3.581 1.00 0.00 C ATOM 471 C LYS A 29 -19.829 5.445 2.585 1.00 0.00 C ATOM 472 O LYS A 29 -20.981 5.839 2.737 1.00 0.00 O ATOM 473 CB LYS A 29 -18.226 7.230 3.275 1.00 0.00 C ATOM 474 CG LYS A 29 -17.369 7.834 4.379 1.00 0.00 C ATOM 475 CD LYS A 29 -18.175 8.101 5.646 1.00 0.00 C ATOM 476 CE LYS A 29 -19.279 9.123 5.408 1.00 0.00 C ATOM 477 NZ LYS A 29 -20.036 9.429 6.651 1.00 0.00 N ATOM 0 H LYS A 29 -16.811 5.207 3.071 1.00 0.00 H new ATOM 0 HA LYS A 29 -19.176 5.809 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.644 7.199 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -19.077 7.885 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.545 7.159 4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.928 8.766 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -18.613 7.168 6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.510 8.460 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.843 10.041 5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -19.965 8.745 4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -20.286 10.438 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -20.904 8.857 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -19.448 9.206 7.479 1.00 0.00 H new ATOM 491 N LEU A 30 -19.468 4.676 1.569 1.00 0.00 N ATOM 492 CA LEU A 30 -20.433 4.248 0.563 1.00 0.00 C ATOM 493 C LEU A 30 -21.255 3.066 1.068 1.00 0.00 C ATOM 494 O LEU A 30 -22.453 2.974 0.801 1.00 0.00 O ATOM 495 CB LEU A 30 -19.726 3.879 -0.743 1.00 0.00 C ATOM 496 CG LEU A 30 -18.942 5.017 -1.405 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.239 4.523 -2.659 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.864 6.180 -1.739 1.00 0.00 C ATOM 0 H LEU A 30 -18.518 4.336 1.418 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.108 5.082 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -19.041 3.054 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.471 3.513 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.188 5.366 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.688 5.345 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.546 3.723 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.978 4.146 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -19.288 6.978 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.642 5.843 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -20.324 6.554 -0.824 1.00 0.00 H new ATOM 510 N VAL A 31 -20.607 2.167 1.799 1.00 0.00 N ATOM 511 CA VAL A 31 -21.292 1.014 2.371 1.00 0.00 C ATOM 512 C VAL A 31 -21.979 1.398 3.682 1.00 0.00 C ATOM 513 O VAL A 31 -23.032 0.861 4.028 1.00 0.00 O ATOM 514 CB VAL A 31 -20.320 -0.167 2.624 1.00 0.00 C ATOM 515 CG1 VAL A 31 -21.071 -1.403 3.093 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.521 -0.479 1.372 1.00 0.00 C ATOM 0 H VAL A 31 -19.610 2.214 2.009 1.00 0.00 H new ATOM 0 HA VAL A 31 -22.039 0.691 1.646 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.630 0.131 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.364 -2.215 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.596 -1.179 4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.791 -1.702 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.845 -1.311 1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.201 -0.749 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.942 0.398 1.082 1.00 0.00 H new ATOM 526 N GLY A 32 -21.395 2.358 4.390 1.00 0.00 N ATOM 527 CA GLY A 32 -21.920 2.744 5.680 1.00 0.00 C ATOM 528 C GLY A 32 -22.925 3.870 5.584 1.00 0.00 C ATOM 529 O GLY A 32 -23.991 3.808 6.195 1.00 0.00 O ATOM 0 H GLY A 32 -20.568 2.874 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.391 1.881 6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.097 3.050 6.326 1.00 0.00 H new ATOM 533 N GLU A 33 -22.586 4.890 4.796 1.00 0.00 N ATOM 534 CA GLU A 33 -23.428 6.069 4.624 1.00 0.00 C ATOM 535 C GLU A 33 -23.639 6.780 5.959 1.00 0.00 C ATOM 536 O GLU A 33 -22.704 7.478 6.408 1.00 0.00 O ATOM 537 CB GLU A 33 -24.769 5.693 3.983 1.00 0.00 C ATOM 538 CG GLU A 33 -24.623 5.045 2.614 1.00 0.00 C ATOM 539 CD GLU A 33 -25.953 4.667 1.995 1.00 0.00 C ATOM 540 OE1 GLU A 33 -26.393 3.516 2.192 1.00 0.00 O ATOM 541 OE2 GLU A 33 -26.553 5.520 1.308 1.00 0.00 O ATOM 542 OXT GLU A 33 -24.729 6.643 6.553 1.00 0.00 O ATOM 0 H GLU A 33 -21.719 4.920 4.260 1.00 0.00 H new ATOM 0 HA GLU A 33 -22.917 6.758 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -25.301 5.010 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.383 6.589 3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.100 5.730 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.003 4.153 2.704 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 22.117 0.994 -5.869 1.00 0.00 N ATOM 551 CA GLY B 1 21.967 -0.446 -6.183 1.00 0.00 C ATOM 552 C GLY B 1 20.627 -0.984 -5.731 1.00 0.00 C ATOM 553 O GLY B 1 19.725 -0.214 -5.398 1.00 0.00 O ATOM 0 H1 GLY B 1 23.119 1.262 -5.939 1.00 0.00 H new ATOM 0 H2 GLY B 1 21.561 1.556 -6.544 1.00 0.00 H new ATOM 0 H3 GLY B 1 21.776 1.176 -4.903 1.00 0.00 H new ATOM 0 HA2 GLY B 1 22.075 -0.597 -7.257 1.00 0.00 H new ATOM 0 HA3 GLY B 1 22.766 -1.008 -5.700 1.00 0.00 H new ATOM 559 N SER B 2 20.494 -2.302 -5.730 1.00 0.00 N ATOM 560 CA SER B 2 19.281 -2.952 -5.261 1.00 0.00 C ATOM 561 C SER B 2 19.613 -3.958 -4.162 1.00 0.00 C ATOM 562 O SER B 2 19.240 -3.759 -3.005 1.00 0.00 O ATOM 563 CB SER B 2 18.568 -3.649 -6.421 1.00 0.00 C ATOM 564 OG SER B 2 18.226 -2.725 -7.443 1.00 0.00 O ATOM 0 H SER B 2 21.217 -2.946 -6.051 1.00 0.00 H new ATOM 0 HA SER B 2 18.615 -2.193 -4.851 1.00 0.00 H new ATOM 0 HB2 SER B 2 19.211 -4.428 -6.831 1.00 0.00 H new ATOM 0 HB3 SER B 2 17.667 -4.140 -6.055 1.00 0.00 H new ATOM 0 HG SER B 2 17.773 -3.197 -8.173 1.00 0.00 H new ATOM 570 N MET B 3 20.336 -5.018 -4.536 1.00 0.00 N ATOM 571 CA MET B 3 20.744 -6.089 -3.620 1.00 0.00 C ATOM 572 C MET B 3 19.615 -6.512 -2.664 1.00 0.00 C ATOM 573 O MET B 3 18.426 -6.312 -2.943 1.00 0.00 O ATOM 574 CB MET B 3 22.032 -5.719 -2.838 1.00 0.00 C ATOM 575 CG MET B 3 21.940 -4.483 -1.947 1.00 0.00 C ATOM 576 SD MET B 3 22.365 -2.952 -2.807 1.00 0.00 S ATOM 577 CE MET B 3 22.080 -1.749 -1.510 1.00 0.00 C ATOM 0 H MET B 3 20.658 -5.159 -5.493 1.00 0.00 H new ATOM 0 HA MET B 3 20.970 -6.953 -4.244 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.314 -6.570 -2.218 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.838 -5.566 -3.556 1.00 0.00 H new ATOM 0 HG2 MET B 3 20.927 -4.402 -1.553 1.00 0.00 H new ATOM 0 HG3 MET B 3 22.605 -4.609 -1.093 1.00 0.00 H new ATOM 0 HE1 MET B 3 22.213 -0.744 -1.910 1.00 0.00 H new ATOM 0 HE2 MET B 3 21.064 -1.857 -1.131 1.00 0.00 H new ATOM 0 HE3 MET B 3 22.789 -1.913 -0.699 1.00 0.00 H new ATOM 587 N LYS B 4 19.993 -7.120 -1.552 1.00 0.00 N ATOM 588 CA LYS B 4 19.024 -7.643 -0.597 1.00 0.00 C ATOM 589 C LYS B 4 18.304 -6.510 0.124 1.00 0.00 C ATOM 590 O LYS B 4 17.114 -6.615 0.424 1.00 0.00 O ATOM 591 CB LYS B 4 19.724 -8.552 0.418 1.00 0.00 C ATOM 592 CG LYS B 4 18.776 -9.208 1.411 1.00 0.00 C ATOM 593 CD LYS B 4 19.518 -10.072 2.420 1.00 0.00 C ATOM 594 CE LYS B 4 20.252 -11.227 1.751 1.00 0.00 C ATOM 595 NZ LYS B 4 19.331 -12.112 0.991 1.00 0.00 N ATOM 0 H LYS B 4 20.967 -7.265 -1.286 1.00 0.00 H new ATOM 0 HA LYS B 4 18.283 -8.224 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.268 -9.329 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.462 -7.967 0.967 1.00 0.00 H new ATOM 0 HG2 LYS B 4 18.213 -8.438 1.938 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.053 -9.820 0.872 1.00 0.00 H new ATOM 0 HD2 LYS B 4 20.232 -9.457 2.968 1.00 0.00 H new ATOM 0 HD3 LYS B 4 18.811 -10.466 3.150 1.00 0.00 H new ATOM 0 HE2 LYS B 4 21.011 -10.831 1.077 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.773 -11.812 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 19.829 -12.985 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 18.509 -12.349 1.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 19.009 -11.622 0.132 1.00 0.00 H new ATOM 609 N GLN B 5 19.029 -5.427 0.376 1.00 0.00 N ATOM 610 CA GLN B 5 18.500 -4.300 1.136 1.00 0.00 C ATOM 611 C GLN B 5 17.227 -3.753 0.502 1.00 0.00 C ATOM 612 O GLN B 5 16.166 -3.736 1.130 1.00 0.00 O ATOM 613 CB GLN B 5 19.544 -3.185 1.238 1.00 0.00 C ATOM 614 CG GLN B 5 20.897 -3.658 1.743 1.00 0.00 C ATOM 615 CD GLN B 5 21.854 -2.517 2.027 1.00 0.00 C ATOM 616 OE1 GLN B 5 21.445 -1.427 2.423 1.00 0.00 O ATOM 617 NE2 GLN B 5 23.138 -2.760 1.827 1.00 0.00 N ATOM 0 H GLN B 5 19.992 -5.305 0.063 1.00 0.00 H new ATOM 0 HA GLN B 5 18.260 -4.661 2.136 1.00 0.00 H new ATOM 0 HB2 GLN B 5 19.672 -2.729 0.256 1.00 0.00 H new ATOM 0 HB3 GLN B 5 19.169 -2.408 1.904 1.00 0.00 H new ATOM 0 HG2 GLN B 5 20.756 -4.242 2.653 1.00 0.00 H new ATOM 0 HG3 GLN B 5 21.343 -4.323 1.004 1.00 0.00 H new ATOM 0 HE21 GLN B 5 23.438 -3.678 1.498 1.00 0.00 H new ATOM 0 HE22 GLN B 5 23.829 -2.030 2.002 1.00 0.00 H new ATOM 626 N LEU B 6 17.329 -3.335 -0.754 1.00 0.00 N ATOM 627 CA LEU B 6 16.206 -2.705 -1.439 1.00 0.00 C ATOM 628 C LEU B 6 15.046 -3.679 -1.589 1.00 0.00 C ATOM 629 O LEU B 6 13.905 -3.347 -1.267 1.00 0.00 O ATOM 630 CB LEU B 6 16.624 -2.169 -2.819 1.00 0.00 C ATOM 631 CG LEU B 6 17.361 -0.817 -2.831 1.00 0.00 C ATOM 632 CD1 LEU B 6 16.484 0.283 -2.267 1.00 0.00 C ATOM 633 CD2 LEU B 6 18.670 -0.888 -2.061 1.00 0.00 C ATOM 0 H LEU B 6 18.175 -3.420 -1.318 1.00 0.00 H new ATOM 0 HA LEU B 6 15.881 -1.864 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.264 -2.912 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.730 -2.077 -3.435 1.00 0.00 H new ATOM 0 HG LEU B 6 17.591 -0.584 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.028 1.228 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU B 6 15.580 0.372 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU B 6 16.213 0.041 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU B 6 19.163 0.084 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU B 6 18.468 -1.161 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU B 6 19.319 -1.638 -2.514 1.00 0.00 H new ATOM 645 N GLU B 7 15.349 -4.891 -2.045 1.00 0.00 N ATOM 646 CA GLU B 7 14.321 -5.902 -2.287 1.00 0.00 C ATOM 647 C GLU B 7 13.544 -6.232 -1.016 1.00 0.00 C ATOM 648 O GLU B 7 12.326 -6.410 -1.050 1.00 0.00 O ATOM 649 CB GLU B 7 14.946 -7.178 -2.849 1.00 0.00 C ATOM 650 CG GLU B 7 15.586 -6.997 -4.215 1.00 0.00 C ATOM 651 CD GLU B 7 16.132 -8.297 -4.775 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.319 -8.596 -4.530 1.00 0.00 O ATOM 653 OE2 GLU B 7 15.373 -9.015 -5.456 1.00 0.00 O ATOM 0 H GLU B 7 16.299 -5.198 -2.255 1.00 0.00 H new ATOM 0 HA GLU B 7 13.625 -5.486 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU B 7 15.700 -7.541 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU B 7 14.178 -7.948 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU B 7 14.850 -6.587 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU B 7 16.394 -6.269 -4.141 1.00 0.00 H new ATOM 660 N ASP B 8 14.247 -6.294 0.107 1.00 0.00 N ATOM 661 CA ASP B 8 13.629 -6.676 1.372 1.00 0.00 C ATOM 662 C ASP B 8 12.883 -5.516 2.013 1.00 0.00 C ATOM 663 O ASP B 8 12.203 -5.697 3.018 1.00 0.00 O ATOM 664 CB ASP B 8 14.671 -7.223 2.345 1.00 0.00 C ATOM 665 CG ASP B 8 14.990 -8.681 2.087 1.00 0.00 C ATOM 666 OD1 ASP B 8 14.661 -9.518 2.951 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.556 -8.988 1.017 1.00 0.00 O ATOM 0 H ASP B 8 15.244 -6.085 0.169 1.00 0.00 H new ATOM 0 HA ASP B 8 12.905 -7.459 1.147 1.00 0.00 H new ATOM 0 HB2 ASP B 8 15.585 -6.634 2.264 1.00 0.00 H new ATOM 0 HB3 ASP B 8 14.307 -7.108 3.366 1.00 0.00 H new ATOM 672 N LYS B 9 13.041 -4.321 1.470 1.00 0.00 N ATOM 673 CA LYS B 9 12.263 -3.178 1.934 1.00 0.00 C ATOM 674 C LYS B 9 11.091 -2.877 1.001 1.00 0.00 C ATOM 675 O LYS B 9 9.928 -2.951 1.405 1.00 0.00 O ATOM 676 CB LYS B 9 13.143 -1.938 2.089 1.00 0.00 C ATOM 677 CG LYS B 9 13.632 -1.709 3.512 1.00 0.00 C ATOM 678 CD LYS B 9 14.564 -2.814 3.977 1.00 0.00 C ATOM 679 CE LYS B 9 14.988 -2.606 5.420 1.00 0.00 C ATOM 680 NZ LYS B 9 15.936 -3.653 5.875 1.00 0.00 N ATOM 0 H LYS B 9 13.694 -4.115 0.714 1.00 0.00 H new ATOM 0 HA LYS B 9 11.859 -3.443 2.911 1.00 0.00 H new ATOM 0 HB2 LYS B 9 14.005 -2.030 1.428 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.583 -1.062 1.761 1.00 0.00 H new ATOM 0 HG2 LYS B 9 14.149 -0.751 3.568 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.776 -1.649 4.184 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.066 -3.779 3.877 1.00 0.00 H new ATOM 0 HD3 LYS B 9 15.446 -2.843 3.337 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.453 -1.626 5.524 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.107 -2.611 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.201 -3.475 6.865 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.484 -4.587 5.800 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 16.788 -3.632 5.279 1.00 0.00 H new ATOM 694 N VAL B 10 11.405 -2.561 -0.252 1.00 0.00 N ATOM 695 CA VAL B 10 10.412 -2.061 -1.199 1.00 0.00 C ATOM 696 C VAL B 10 9.357 -3.117 -1.544 1.00 0.00 C ATOM 697 O VAL B 10 8.168 -2.806 -1.636 1.00 0.00 O ATOM 698 CB VAL B 10 11.087 -1.528 -2.487 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.713 -2.645 -3.312 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.097 -0.732 -3.315 1.00 0.00 C ATOM 0 H VAL B 10 12.346 -2.643 -0.638 1.00 0.00 H new ATOM 0 HA VAL B 10 9.898 -1.234 -0.708 1.00 0.00 H new ATOM 0 HB VAL B 10 11.898 -0.867 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.174 -2.223 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.472 -3.155 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.942 -3.358 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL B 10 10.588 -0.365 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.259 -1.371 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.731 0.113 -2.732 1.00 0.00 H new ATOM 710 N GLU B 11 9.782 -4.365 -1.709 1.00 0.00 N ATOM 711 CA GLU B 11 8.857 -5.438 -2.045 1.00 0.00 C ATOM 712 C GLU B 11 8.155 -5.924 -0.782 1.00 0.00 C ATOM 713 O GLU B 11 6.974 -6.288 -0.806 1.00 0.00 O ATOM 714 CB GLU B 11 9.598 -6.584 -2.740 1.00 0.00 C ATOM 715 CG GLU B 11 8.685 -7.686 -3.253 1.00 0.00 C ATOM 716 CD GLU B 11 9.429 -8.722 -4.073 1.00 0.00 C ATOM 717 OE1 GLU B 11 9.483 -8.569 -5.311 1.00 0.00 O ATOM 718 OE2 GLU B 11 9.959 -9.684 -3.480 1.00 0.00 O ATOM 0 H GLU B 11 10.755 -4.656 -1.616 1.00 0.00 H new ATOM 0 HA GLU B 11 8.104 -5.061 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.169 -6.180 -3.576 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.316 -7.016 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.201 -8.175 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU B 11 7.895 -7.245 -3.861 1.00 0.00 H new ATOM 725 N GLU B 12 8.882 -5.905 0.328 1.00 0.00 N ATOM 726 CA GLU B 12 8.305 -6.242 1.622 1.00 0.00 C ATOM 727 C GLU B 12 7.105 -5.341 1.899 1.00 0.00 C ATOM 728 O GLU B 12 6.028 -5.824 2.227 1.00 0.00 O ATOM 729 CB GLU B 12 9.350 -6.097 2.733 1.00 0.00 C ATOM 730 CG GLU B 12 9.028 -6.855 4.020 1.00 0.00 C ATOM 731 CD GLU B 12 7.868 -6.266 4.799 1.00 0.00 C ATOM 732 OE1 GLU B 12 6.794 -6.900 4.840 1.00 0.00 O ATOM 733 OE2 GLU B 12 8.035 -5.164 5.361 1.00 0.00 O ATOM 0 H GLU B 12 9.872 -5.660 0.358 1.00 0.00 H new ATOM 0 HA GLU B 12 7.974 -7.280 1.601 1.00 0.00 H new ATOM 0 HB2 GLU B 12 10.312 -6.444 2.355 1.00 0.00 H new ATOM 0 HB3 GLU B 12 9.463 -5.039 2.970 1.00 0.00 H new ATOM 0 HG2 GLU B 12 8.800 -7.892 3.773 1.00 0.00 H new ATOM 0 HG3 GLU B 12 9.913 -6.866 4.656 1.00 0.00 H new ATOM 740 N LEU B 13 7.287 -4.031 1.771 1.00 0.00 N ATOM 741 CA LEU B 13 6.175 -3.103 1.921 1.00 0.00 C ATOM 742 C LEU B 13 5.222 -3.126 0.733 1.00 0.00 C ATOM 743 O LEU B 13 4.155 -2.513 0.784 1.00 0.00 O ATOM 744 CB LEU B 13 6.656 -1.684 2.192 1.00 0.00 C ATOM 745 CG LEU B 13 6.737 -1.352 3.675 1.00 0.00 C ATOM 746 CD1 LEU B 13 8.021 -1.901 4.274 1.00 0.00 C ATOM 747 CD2 LEU B 13 6.626 0.146 3.911 1.00 0.00 C ATOM 0 H LEU B 13 8.185 -3.592 1.566 1.00 0.00 H new ATOM 0 HA LEU B 13 5.615 -3.448 2.790 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.639 -1.548 1.742 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.982 -0.979 1.705 1.00 0.00 H new ATOM 0 HG LEU B 13 5.893 -1.828 4.174 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.062 -1.654 5.335 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.045 -2.984 4.152 1.00 0.00 H new ATOM 0 HD13 LEU B 13 8.878 -1.459 3.765 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.687 0.351 4.980 1.00 0.00 H new ATOM 0 HD22 LEU B 13 7.440 0.657 3.396 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.671 0.505 3.527 1.00 0.00 H new ATOM 759 N LEU B 14 5.602 -3.796 -0.344 1.00 0.00 N ATOM 760 CA LEU B 14 4.697 -3.983 -1.462 1.00 0.00 C ATOM 761 C LEU B 14 3.615 -4.991 -1.084 1.00 0.00 C ATOM 762 O LEU B 14 2.607 -5.115 -1.770 1.00 0.00 O ATOM 763 CB LEU B 14 5.455 -4.458 -2.704 1.00 0.00 C ATOM 764 CG LEU B 14 4.623 -4.558 -3.985 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.864 -3.357 -4.882 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.936 -5.841 -4.725 1.00 0.00 C ATOM 0 H LEU B 14 6.524 -4.215 -0.465 1.00 0.00 H new ATOM 0 HA LEU B 14 4.231 -3.026 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.286 -3.776 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU B 14 5.885 -5.437 -2.493 1.00 0.00 H new ATOM 0 HG LEU B 14 3.570 -4.568 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.262 -3.451 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.585 -2.446 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.919 -3.311 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.335 -5.894 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU B 14 5.993 -5.860 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU B 14 4.706 -6.694 -4.087 1.00 0.00 H new ATOM 778 N SER B 15 3.836 -5.714 0.012 1.00 0.00 N ATOM 779 CA SER B 15 2.825 -6.626 0.539 1.00 0.00 C ATOM 780 C SER B 15 1.481 -5.916 0.726 1.00 0.00 C ATOM 781 O SER B 15 0.435 -6.454 0.350 1.00 0.00 O ATOM 782 CB SER B 15 3.284 -7.242 1.865 1.00 0.00 C ATOM 783 OG SER B 15 3.557 -6.240 2.831 1.00 0.00 O ATOM 0 H SER B 15 4.702 -5.686 0.550 1.00 0.00 H new ATOM 0 HA SER B 15 2.692 -7.425 -0.190 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.513 -7.914 2.243 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.178 -7.843 1.699 1.00 0.00 H new ATOM 0 HG SER B 15 4.514 -6.031 2.823 1.00 0.00 H new ATOM 789 N LYS B 16 1.498 -4.702 1.294 1.00 0.00 N ATOM 790 CA LYS B 16 0.248 -3.958 1.488 1.00 0.00 C ATOM 791 C LYS B 16 -0.425 -3.580 0.159 1.00 0.00 C ATOM 792 O LYS B 16 -1.586 -3.189 0.155 1.00 0.00 O ATOM 793 CB LYS B 16 0.465 -2.692 2.331 1.00 0.00 C ATOM 794 CG LYS B 16 1.327 -1.642 1.658 1.00 0.00 C ATOM 795 CD LYS B 16 1.388 -0.369 2.484 1.00 0.00 C ATOM 796 CE LYS B 16 2.618 0.451 2.144 1.00 0.00 C ATOM 797 NZ LYS B 16 3.856 -0.297 2.444 1.00 0.00 N ATOM 0 H LYS B 16 2.339 -4.225 1.619 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.418 -4.633 2.026 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -0.505 -2.254 2.566 1.00 0.00 H new ATOM 0 HB3 LYS B 16 0.926 -2.973 3.278 1.00 0.00 H new ATOM 0 HG2 LYS B 16 2.334 -2.033 1.513 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.926 -1.418 0.669 1.00 0.00 H new ATOM 0 HD2 LYS B 16 0.492 0.225 2.306 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.398 -0.621 3.544 1.00 0.00 H new ATOM 0 HE2 LYS B 16 2.599 0.720 1.088 1.00 0.00 H new ATOM 0 HE3 LYS B 16 2.606 1.382 2.710 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 4.669 0.351 2.414 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 3.785 -0.720 3.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 3.987 -1.049 1.738 1.00 0.00 H new ATOM 811 N ASN B 17 0.288 -3.710 -0.961 1.00 0.00 N ATOM 812 CA ASN B 17 -0.286 -3.399 -2.271 1.00 0.00 C ATOM 813 C ASN B 17 -1.435 -4.354 -2.553 1.00 0.00 C ATOM 814 O ASN B 17 -2.525 -3.948 -2.948 1.00 0.00 O ATOM 815 CB ASN B 17 0.778 -3.541 -3.368 1.00 0.00 C ATOM 816 CG ASN B 17 0.415 -2.839 -4.665 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.755 -2.677 -5.002 1.00 0.00 O ATOM 818 ND2 ASN B 17 1.432 -2.426 -5.409 1.00 0.00 N ATOM 0 H ASN B 17 1.257 -4.026 -0.988 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.649 -2.371 -2.265 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.722 -3.140 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.939 -4.600 -3.571 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.256 -1.955 -6.296 1.00 0.00 H new ATOM 0 HD22 ASN B 17 2.390 -2.580 -5.094 1.00 0.00 H new ATOM 825 N TYR B 18 -1.179 -5.628 -2.304 1.00 0.00 N ATOM 826 CA TYR B 18 -2.162 -6.673 -2.526 1.00 0.00 C ATOM 827 C TYR B 18 -3.194 -6.661 -1.411 1.00 0.00 C ATOM 828 O TYR B 18 -4.387 -6.832 -1.653 1.00 0.00 O ATOM 829 CB TYR B 18 -1.483 -8.043 -2.578 1.00 0.00 C ATOM 830 CG TYR B 18 -0.317 -8.116 -3.538 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.523 -8.277 -4.902 1.00 0.00 C ATOM 832 CD2 TYR B 18 0.991 -8.030 -3.077 1.00 0.00 C ATOM 833 CE1 TYR B 18 0.541 -8.350 -5.780 1.00 0.00 C ATOM 834 CE2 TYR B 18 2.061 -8.100 -3.949 1.00 0.00 C ATOM 835 CZ TYR B 18 1.831 -8.262 -5.298 1.00 0.00 C ATOM 836 OH TYR B 18 2.893 -8.334 -6.170 1.00 0.00 O ATOM 0 H TYR B 18 -0.286 -5.965 -1.943 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.656 -6.485 -3.479 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.134 -8.302 -1.578 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.222 -8.793 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.531 -8.346 -5.282 1.00 0.00 H new ATOM 0 HD2 TYR B 18 1.175 -7.906 -2.020 1.00 0.00 H new ATOM 0 HE1 TYR B 18 0.364 -8.475 -6.838 1.00 0.00 H new ATOM 0 HE2 TYR B 18 3.072 -8.028 -3.575 1.00 0.00 H new ATOM 0 HH TYR B 18 3.732 -8.254 -5.671 1.00 0.00 H new ATOM 846 N HIS B 19 -2.725 -6.439 -0.189 1.00 0.00 N ATOM 847 CA HIS B 19 -3.596 -6.454 0.982 1.00 0.00 C ATOM 848 C HIS B 19 -4.644 -5.356 0.884 1.00 0.00 C ATOM 849 O HIS B 19 -5.842 -5.619 0.983 1.00 0.00 O ATOM 850 CB HIS B 19 -2.783 -6.285 2.269 1.00 0.00 C ATOM 851 CG HIS B 19 -1.816 -7.400 2.535 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.827 -7.324 3.491 1.00 0.00 N ATOM 853 CD2 HIS B 19 -1.692 -8.624 1.966 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.136 -8.447 3.496 1.00 0.00 C ATOM 855 NE2 HIS B 19 -0.641 -9.255 2.582 1.00 0.00 N ATOM 0 H HIS B 19 -1.745 -6.246 0.018 1.00 0.00 H new ATOM 0 HA HIS B 19 -4.099 -7.420 1.012 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.232 -5.346 2.217 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.470 -6.206 3.112 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -2.306 -9.028 1.175 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.702 -8.669 4.140 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.305 -10.194 2.369 1.00 0.00 H new ATOM 864 N LEU B 20 -4.187 -4.130 0.664 1.00 0.00 N ATOM 865 CA LEU B 20 -5.082 -2.988 0.553 1.00 0.00 C ATOM 866 C LEU B 20 -5.965 -3.105 -0.682 1.00 0.00 C ATOM 867 O LEU B 20 -7.128 -2.702 -0.658 1.00 0.00 O ATOM 868 CB LEU B 20 -4.283 -1.682 0.514 1.00 0.00 C ATOM 869 CG LEU B 20 -4.266 -0.870 1.818 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.633 -0.271 2.093 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.834 -1.729 2.994 1.00 0.00 C ATOM 0 H LEU B 20 -3.198 -3.902 0.559 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.726 -2.978 1.432 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.254 -1.915 0.240 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.689 -1.053 -0.278 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.543 -0.064 1.695 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.600 0.300 3.021 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.914 0.388 1.271 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -6.369 -1.070 2.185 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.832 -1.127 3.903 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.529 -2.561 3.112 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.831 -2.116 2.813 1.00 0.00 H new ATOM 883 N GLU B 21 -5.424 -3.677 -1.756 1.00 0.00 N ATOM 884 CA GLU B 21 -6.199 -3.859 -2.979 1.00 0.00 C ATOM 885 C GLU B 21 -7.360 -4.820 -2.729 1.00 0.00 C ATOM 886 O GLU B 21 -8.472 -4.608 -3.210 1.00 0.00 O ATOM 887 CB GLU B 21 -5.315 -4.384 -4.111 1.00 0.00 C ATOM 888 CG GLU B 21 -5.987 -4.346 -5.472 1.00 0.00 C ATOM 889 CD GLU B 21 -5.093 -4.873 -6.577 1.00 0.00 C ATOM 890 OE1 GLU B 21 -4.166 -4.145 -6.983 1.00 0.00 O ATOM 891 OE2 GLU B 21 -5.322 -6.010 -7.038 1.00 0.00 O ATOM 0 H GLU B 21 -4.464 -4.018 -1.804 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.598 -2.890 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.400 -3.794 -4.150 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -5.023 -5.410 -3.887 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.903 -4.936 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.277 -3.321 -5.702 1.00 0.00 H new ATOM 898 N ASN B 22 -7.095 -5.864 -1.948 1.00 0.00 N ATOM 899 CA ASN B 22 -8.120 -6.842 -1.596 1.00 0.00 C ATOM 900 C ASN B 22 -9.189 -6.218 -0.706 1.00 0.00 C ATOM 901 O ASN B 22 -10.323 -6.700 -0.651 1.00 0.00 O ATOM 902 CB ASN B 22 -7.504 -8.058 -0.900 1.00 0.00 C ATOM 903 CG ASN B 22 -7.055 -9.120 -1.886 1.00 0.00 C ATOM 904 OD1 ASN B 22 -7.821 -10.009 -2.246 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.815 -9.033 -2.335 1.00 0.00 N ATOM 0 H ASN B 22 -6.177 -6.054 -1.546 1.00 0.00 H new ATOM 0 HA ASN B 22 -8.589 -7.173 -2.523 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.651 -7.738 -0.301 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -8.233 -8.488 -0.213 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -5.465 -9.719 -3.004 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -5.208 -8.280 -2.013 1.00 0.00 H new ATOM 912 N GLU B 23 -8.827 -5.143 -0.018 1.00 0.00 N ATOM 913 CA GLU B 23 -9.772 -4.434 0.830 1.00 0.00 C ATOM 914 C GLU B 23 -10.690 -3.575 -0.028 1.00 0.00 C ATOM 915 O GLU B 23 -11.908 -3.596 0.139 1.00 0.00 O ATOM 916 CB GLU B 23 -9.048 -3.558 1.858 1.00 0.00 C ATOM 917 CG GLU B 23 -8.032 -4.306 2.711 1.00 0.00 C ATOM 918 CD GLU B 23 -8.615 -5.522 3.405 1.00 0.00 C ATOM 919 OE1 GLU B 23 -9.308 -5.348 4.429 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.370 -6.648 2.927 1.00 0.00 O ATOM 0 H GLU B 23 -7.888 -4.745 -0.031 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.363 -5.172 1.372 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.540 -2.748 1.335 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.788 -3.099 2.513 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.199 -4.619 2.082 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.627 -3.627 3.461 1.00 0.00 H new ATOM 927 N VAL B 24 -10.097 -2.838 -0.964 1.00 0.00 N ATOM 928 CA VAL B 24 -10.860 -1.968 -1.851 1.00 0.00 C ATOM 929 C VAL B 24 -11.805 -2.789 -2.730 1.00 0.00 C ATOM 930 O VAL B 24 -12.957 -2.406 -2.952 1.00 0.00 O ATOM 931 CB VAL B 24 -9.938 -1.104 -2.750 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.753 -0.136 -3.595 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.936 -0.339 -1.913 1.00 0.00 C ATOM 0 H VAL B 24 -9.090 -2.827 -1.127 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.441 -1.299 -1.217 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.399 -1.778 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -10.083 0.458 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.437 -0.696 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -11.324 0.525 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -8.300 0.260 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -9.465 0.316 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -8.320 -1.041 -1.350 1.00 0.00 H new ATOM 943 N ALA B 25 -11.321 -3.933 -3.200 1.00 0.00 N ATOM 944 CA ALA B 25 -12.103 -4.789 -4.086 1.00 0.00 C ATOM 945 C ALA B 25 -13.274 -5.445 -3.358 1.00 0.00 C ATOM 946 O ALA B 25 -14.304 -5.736 -3.968 1.00 0.00 O ATOM 947 CB ALA B 25 -11.220 -5.853 -4.715 1.00 0.00 C ATOM 0 H ALA B 25 -10.391 -4.290 -2.983 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.513 -4.153 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.820 -6.482 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.429 -5.375 -5.293 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.776 -6.467 -3.932 1.00 0.00 H new ATOM 953 N ARG B 26 -13.121 -5.678 -2.058 1.00 0.00 N ATOM 954 CA ARG B 26 -14.182 -6.308 -1.279 1.00 0.00 C ATOM 955 C ARG B 26 -15.346 -5.337 -1.113 1.00 0.00 C ATOM 956 O ARG B 26 -16.513 -5.716 -1.211 1.00 0.00 O ATOM 957 CB ARG B 26 -13.647 -6.783 0.082 1.00 0.00 C ATOM 958 CG ARG B 26 -13.805 -5.800 1.238 1.00 0.00 C ATOM 959 CD ARG B 26 -13.254 -6.393 2.525 1.00 0.00 C ATOM 960 NE ARG B 26 -13.506 -5.544 3.689 1.00 0.00 N ATOM 961 CZ ARG B 26 -12.957 -5.748 4.889 1.00 0.00 C ATOM 962 NH1 ARG B 26 -12.119 -6.761 5.077 1.00 0.00 N ATOM 963 NH2 ARG B 26 -13.250 -4.943 5.900 1.00 0.00 N ATOM 0 H ARG B 26 -12.283 -5.443 -1.526 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.543 -7.188 -1.812 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.155 -7.711 0.347 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.588 -7.019 -0.027 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -13.283 -4.871 1.007 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.858 -5.550 1.368 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -13.703 -7.373 2.691 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.180 -6.548 2.419 1.00 0.00 H new ATOM 0 HE ARG B 26 -14.137 -4.751 3.578 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -11.893 -7.386 4.303 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.701 -6.914 5.995 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -13.896 -4.166 5.762 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -12.830 -5.101 6.816 1.00 0.00 H new ATOM 977 N LEU B 27 -15.009 -4.078 -0.892 1.00 0.00 N ATOM 978 CA LEU B 27 -16.006 -3.021 -0.787 1.00 0.00 C ATOM 979 C LEU B 27 -16.691 -2.773 -2.124 1.00 0.00 C ATOM 980 O LEU B 27 -17.861 -2.403 -2.165 1.00 0.00 O ATOM 981 CB LEU B 27 -15.356 -1.745 -0.280 1.00 0.00 C ATOM 982 CG LEU B 27 -14.897 -1.802 1.172 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.567 -1.100 1.327 1.00 0.00 C ATOM 984 CD2 LEU B 27 -15.936 -1.180 2.089 1.00 0.00 C ATOM 0 H LEU B 27 -14.046 -3.759 -0.781 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.769 -3.340 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.497 -1.515 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -16.063 -0.923 -0.392 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.776 -2.848 1.455 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.250 -1.148 2.369 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.822 -1.588 0.698 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.669 -0.057 1.026 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -15.588 -1.231 3.121 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -16.091 -0.138 1.810 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -16.876 -1.724 1.996 1.00 0.00 H new ATOM 996 N LYS B 28 -15.955 -2.972 -3.215 1.00 0.00 N ATOM 997 CA LYS B 28 -16.539 -2.918 -4.557 1.00 0.00 C ATOM 998 C LYS B 28 -17.776 -3.809 -4.645 1.00 0.00 C ATOM 999 O LYS B 28 -18.799 -3.418 -5.207 1.00 0.00 O ATOM 1000 CB LYS B 28 -15.522 -3.361 -5.612 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.435 -2.340 -5.908 1.00 0.00 C ATOM 1002 CD LYS B 28 -15.006 -1.100 -6.577 1.00 0.00 C ATOM 1003 CE LYS B 28 -13.911 -0.220 -7.160 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.972 0.269 -6.120 1.00 0.00 N ATOM 0 H LYS B 28 -14.955 -3.172 -3.198 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.826 -1.884 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -15.052 -4.287 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -16.052 -3.587 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.936 -2.058 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.679 -2.788 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.694 -1.398 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.584 -0.528 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.357 -0.782 -7.912 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.363 0.632 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.843 1.296 -6.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.360 0.062 -5.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.054 -0.208 -6.229 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.679 -5.002 -4.069 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.778 -5.951 -4.083 1.00 0.00 C ATOM 1020 C LYS B 29 -19.865 -5.558 -3.086 1.00 0.00 C ATOM 1021 O LYS B 29 -21.019 -5.944 -3.239 1.00 0.00 O ATOM 1022 CB LYS B 29 -18.265 -7.354 -3.764 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.415 -7.971 -4.865 1.00 0.00 C ATOM 1024 CD LYS B 29 -18.224 -8.250 -6.127 1.00 0.00 C ATOM 1025 CE LYS B 29 -19.331 -9.264 -5.873 1.00 0.00 C ATOM 1026 NZ LYS B 29 -20.101 -9.573 -7.108 1.00 0.00 N ATOM 0 H LYS B 29 -16.844 -5.333 -3.585 1.00 0.00 H new ATOM 0 HA LYS B 29 -19.214 -5.942 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.678 -7.315 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -19.117 -8.005 -3.570 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.590 -7.300 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.975 -8.901 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.659 -7.320 -6.493 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.562 -8.622 -6.909 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.897 -10.182 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -20.008 -8.878 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.327 -10.588 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.983 -9.021 -7.115 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.532 -9.326 -7.943 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.497 -4.787 -2.075 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.455 -4.347 -1.068 1.00 0.00 C ATOM 1042 C LEU B 30 -21.275 -3.164 -1.578 1.00 0.00 C ATOM 1043 O LEU B 30 -22.470 -3.061 -1.301 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.741 -3.972 0.231 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.956 -5.104 0.898 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.248 -4.601 2.144 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.880 -6.263 1.244 1.00 0.00 C ATOM 0 H LEU B 30 -18.545 -4.453 -1.928 1.00 0.00 H new ATOM 0 HA LEU B 30 -21.133 -5.176 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -19.056 -3.150 0.025 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.482 -3.600 0.939 1.00 0.00 H new ATOM 0 HG LEU B 30 -18.204 -5.460 0.194 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.695 -5.420 2.604 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.556 -3.804 1.872 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.984 -4.218 2.851 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -19.304 -7.058 1.717 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -20.655 -5.919 1.929 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -20.344 -6.643 0.334 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.628 -2.272 -2.320 1.00 0.00 N ATOM 1060 CA VAL B 31 -21.312 -1.122 -2.899 1.00 0.00 C ATOM 1061 C VAL B 31 -22.001 -1.515 -4.204 1.00 0.00 C ATOM 1062 O VAL B 31 -23.048 -0.971 -4.555 1.00 0.00 O ATOM 1063 CB VAL B 31 -20.340 0.057 -3.164 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -21.091 1.291 -3.638 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.534 0.377 -1.919 1.00 0.00 C ATOM 0 H VAL B 31 -19.632 -2.323 -2.534 1.00 0.00 H new ATOM 0 HA VAL B 31 -22.056 -0.792 -2.174 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.654 -0.248 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -20.384 2.101 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.620 1.062 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.808 1.596 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.858 1.207 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -20.209 0.653 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.954 -0.498 -1.626 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.425 -2.484 -4.905 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.956 -2.878 -6.192 1.00 0.00 C ATOM 1077 C GLY B 32 -22.966 -3.997 -6.082 1.00 0.00 C ATOM 1078 O GLY B 32 -24.031 -3.933 -6.698 1.00 0.00 O ATOM 0 H GLY B 32 -20.600 -3.003 -4.604 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -22.424 -2.016 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.137 -3.194 -6.838 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.628 -5.011 -5.287 1.00 0.00 N ATOM 1083 CA GLU B 33 -23.473 -6.186 -5.100 1.00 0.00 C ATOM 1084 C GLU B 33 -23.683 -6.913 -6.424 1.00 0.00 C ATOM 1085 O GLU B 33 -22.759 -7.644 -6.841 1.00 0.00 O ATOM 1086 CB GLU B 33 -24.812 -5.801 -4.463 1.00 0.00 C ATOM 1087 CG GLU B 33 -24.657 -5.143 -3.100 1.00 0.00 C ATOM 1088 CD GLU B 33 -25.983 -4.770 -2.474 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -26.443 -3.630 -2.688 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -26.562 -5.620 -1.767 1.00 0.00 O ATOM 1091 OXT GLU B 33 -24.751 -6.748 -7.047 1.00 0.00 O ATOM 0 H GLU B 33 -21.759 -5.040 -4.754 1.00 0.00 H new ATOM 0 HA GLU B 33 -22.965 -6.867 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -25.343 -5.121 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -25.429 -6.694 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -24.124 -5.821 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -24.044 -4.248 -3.202 1.00 0.00 H new TER 1098 GLU B 33