USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 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 Single : A 1 GLY N :NH3+ -111:sc= 0.0972 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.0214 (180deg=-0.171) USER MOD Single : A 5 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.68) USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0386) USER MOD Single : A 15 SER OG : rot 77:sc= 1.25 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -4.29! C(o=-4.3!,f=-6.4!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-0.84) USER MOD Single : A 22 ASN :FLIP amide:sc= 0.15 F(o=-0.82,f=0.15) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.0527 (180deg=-0.297) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -110:sc= 0.0993 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 168:sc= -0.0215 (180deg=-0.173) USER MOD Single : B 5 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.68) USER MOD Single : B 9 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0471) USER MOD Single : B 15 SER OG : rot 78:sc= 1.27 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -4.22! C(o=-4.2!,f=-6.6!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-0.84) USER MOD Single : B 22 ASN :FLIP amide:sc= 0.112 F(o=-0.81,f=0.11) USER MOD Single : B 28 LYS NZ :NH3+ 164:sc= -0.0484 (180deg=-0.287) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.519 5.142 -3.490 1.00 0.00 N ATOM 2 CA GLY A 1 25.000 3.768 -3.278 1.00 0.00 C ATOM 3 C GLY A 1 23.591 3.606 -3.804 1.00 0.00 C ATOM 4 O GLY A 1 22.968 4.576 -4.237 1.00 0.00 O ATOM 0 H1 GLY A 1 26.277 5.121 -4.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.749 5.757 -3.822 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.896 5.513 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.656 3.052 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.019 3.534 -2.214 1.00 0.00 H new ATOM 10 N SER A 2 23.080 2.382 -3.774 1.00 0.00 N ATOM 11 CA SER A 2 21.736 2.111 -4.261 1.00 0.00 C ATOM 12 C SER A 2 20.720 2.154 -3.121 1.00 0.00 C ATOM 13 O SER A 2 19.513 2.083 -3.353 1.00 0.00 O ATOM 14 CB SER A 2 21.694 0.753 -4.963 1.00 0.00 C ATOM 15 OG SER A 2 22.594 0.720 -6.060 1.00 0.00 O ATOM 0 H SER A 2 23.575 1.564 -3.418 1.00 0.00 H new ATOM 0 HA SER A 2 21.469 2.888 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.950 -0.035 -4.254 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.681 0.551 -5.312 1.00 0.00 H new ATOM 0 HG SER A 2 22.551 -0.159 -6.492 1.00 0.00 H new ATOM 21 N MET A 3 21.210 2.287 -1.892 1.00 0.00 N ATOM 22 CA MET A 3 20.337 2.355 -0.727 1.00 0.00 C ATOM 23 C MET A 3 19.451 3.596 -0.801 1.00 0.00 C ATOM 24 O MET A 3 18.266 3.546 -0.473 1.00 0.00 O ATOM 25 CB MET A 3 21.164 2.369 0.563 1.00 0.00 C ATOM 26 CG MET A 3 20.326 2.407 1.831 1.00 0.00 C ATOM 27 SD MET A 3 21.331 2.467 3.326 1.00 0.00 S ATOM 28 CE MET A 3 20.060 2.548 4.584 1.00 0.00 C ATOM 0 H MET A 3 22.205 2.350 -1.678 1.00 0.00 H new ATOM 0 HA MET A 3 19.700 1.470 -0.720 1.00 0.00 H new ATOM 0 HB2 MET A 3 21.799 1.484 0.585 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.825 3.236 0.550 1.00 0.00 H new ATOM 0 HG2 MET A 3 19.671 3.278 1.803 1.00 0.00 H new ATOM 0 HG3 MET A 3 19.684 1.527 1.864 1.00 0.00 H new ATOM 0 HE1 MET A 3 20.525 2.590 5.569 1.00 0.00 H new ATOM 0 HE2 MET A 3 19.453 3.440 4.431 1.00 0.00 H new ATOM 0 HE3 MET A 3 19.427 1.663 4.519 1.00 0.00 H new ATOM 38 N LYS A 4 20.034 4.701 -1.257 1.00 0.00 N ATOM 39 CA LYS A 4 19.304 5.953 -1.411 1.00 0.00 C ATOM 40 C LYS A 4 18.200 5.800 -2.451 1.00 0.00 C ATOM 41 O LYS A 4 17.119 6.373 -2.318 1.00 0.00 O ATOM 42 CB LYS A 4 20.262 7.082 -1.814 1.00 0.00 C ATOM 43 CG LYS A 4 19.585 8.433 -2.007 1.00 0.00 C ATOM 44 CD LYS A 4 18.875 8.905 -0.743 1.00 0.00 C ATOM 45 CE LYS A 4 19.847 9.145 0.403 1.00 0.00 C ATOM 46 NZ LYS A 4 20.837 10.206 0.083 1.00 0.00 N ATOM 0 H LYS A 4 21.016 4.753 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 4 18.847 6.208 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.033 7.180 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.765 6.804 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.330 9.172 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.865 8.364 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.331 9.825 -0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.137 8.161 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.290 9.427 1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.372 8.218 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.344 10.480 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.517 9.847 -0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.344 11.035 -0.306 1.00 0.00 H new ATOM 60 N GLN A 5 18.473 5.009 -3.478 1.00 0.00 N ATOM 61 CA GLN A 5 17.489 4.749 -4.513 1.00 0.00 C ATOM 62 C GLN A 5 16.330 3.952 -3.931 1.00 0.00 C ATOM 63 O GLN A 5 15.167 4.258 -4.183 1.00 0.00 O ATOM 64 CB GLN A 5 18.123 3.993 -5.683 1.00 0.00 C ATOM 65 CG GLN A 5 19.282 4.740 -6.326 1.00 0.00 C ATOM 66 CD GLN A 5 18.876 6.104 -6.858 1.00 0.00 C ATOM 67 OE1 GLN A 5 17.736 6.312 -7.278 1.00 0.00 O ATOM 68 NE2 GLN A 5 19.809 7.042 -6.844 1.00 0.00 N ATOM 0 H GLN A 5 19.367 4.538 -3.615 1.00 0.00 H new ATOM 0 HA GLN A 5 17.114 5.701 -4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.475 3.023 -5.331 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.361 3.801 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 5 20.081 4.863 -5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.687 4.142 -7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.741 6.829 -6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 5 19.596 7.978 -7.189 1.00 0.00 H new ATOM 77 N LEU A 6 16.661 2.953 -3.119 1.00 0.00 N ATOM 78 CA LEU A 6 15.655 2.130 -2.457 1.00 0.00 C ATOM 79 C LEU A 6 14.822 2.949 -1.474 1.00 0.00 C ATOM 80 O LEU A 6 13.677 2.603 -1.184 1.00 0.00 O ATOM 81 CB LEU A 6 16.314 0.952 -1.735 1.00 0.00 C ATOM 82 CG LEU A 6 16.396 -0.356 -2.533 1.00 0.00 C ATOM 83 CD1 LEU A 6 15.002 -0.873 -2.854 1.00 0.00 C ATOM 84 CD2 LEU A 6 17.201 -0.168 -3.810 1.00 0.00 C ATOM 0 H LEU A 6 17.623 2.693 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 6 14.986 1.745 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.324 1.245 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.764 0.760 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 6 16.908 -1.095 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.080 -1.801 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 6 14.460 -1.058 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 6 14.466 -0.131 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.243 -1.111 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.725 0.590 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 6 18.213 0.151 -3.559 1.00 0.00 H new ATOM 96 N GLU A 7 15.397 4.039 -0.965 1.00 0.00 N ATOM 97 CA GLU A 7 14.658 4.953 -0.101 1.00 0.00 C ATOM 98 C GLU A 7 13.477 5.546 -0.865 1.00 0.00 C ATOM 99 O GLU A 7 12.413 5.782 -0.299 1.00 0.00 O ATOM 100 CB GLU A 7 15.558 6.080 0.415 1.00 0.00 C ATOM 101 CG GLU A 7 16.729 5.604 1.261 1.00 0.00 C ATOM 102 CD GLU A 7 16.298 4.832 2.494 1.00 0.00 C ATOM 103 OE1 GLU A 7 15.782 5.462 3.439 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.485 3.599 2.514 1.00 0.00 O ATOM 0 H GLU A 7 16.366 4.307 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 7 14.294 4.388 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.944 6.641 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.955 6.770 1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.376 4.973 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.322 6.466 1.568 1.00 0.00 H new ATOM 111 N ASP A 8 13.672 5.765 -2.159 1.00 0.00 N ATOM 112 CA ASP A 8 12.612 6.292 -3.008 1.00 0.00 C ATOM 113 C ASP A 8 11.560 5.224 -3.257 1.00 0.00 C ATOM 114 O ASP A 8 10.368 5.518 -3.293 1.00 0.00 O ATOM 115 CB ASP A 8 13.170 6.793 -4.343 1.00 0.00 C ATOM 116 CG ASP A 8 14.023 8.038 -4.194 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.238 7.900 -3.947 1.00 0.00 O ATOM 118 OD2 ASP A 8 13.475 9.150 -4.330 1.00 0.00 O ATOM 0 H ASP A 8 14.552 5.586 -2.642 1.00 0.00 H new ATOM 0 HA ASP A 8 12.155 7.135 -2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.765 6.003 -4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.343 7.004 -5.021 1.00 0.00 H new ATOM 123 N LYS A 9 12.011 3.982 -3.410 1.00 0.00 N ATOM 124 CA LYS A 9 11.114 2.850 -3.630 1.00 0.00 C ATOM 125 C LYS A 9 10.172 2.666 -2.447 1.00 0.00 C ATOM 126 O LYS A 9 8.951 2.657 -2.609 1.00 0.00 O ATOM 127 CB LYS A 9 11.902 1.551 -3.850 1.00 0.00 C ATOM 128 CG LYS A 9 12.386 1.319 -5.279 1.00 0.00 C ATOM 129 CD LYS A 9 13.380 2.373 -5.730 1.00 0.00 C ATOM 130 CE LYS A 9 14.068 1.980 -7.029 1.00 0.00 C ATOM 131 NZ LYS A 9 13.102 1.782 -8.142 1.00 0.00 N ATOM 0 H LYS A 9 13.000 3.732 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 9 10.533 3.069 -4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.767 1.552 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.275 0.710 -3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.848 0.334 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.530 1.318 -5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.865 3.324 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.129 2.523 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.785 2.753 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.634 1.061 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.622 1.616 -9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.498 0.961 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.510 2.631 -8.243 1.00 0.00 H new ATOM 145 N VAL A 10 10.747 2.536 -1.255 1.00 0.00 N ATOM 146 CA VAL A 10 9.962 2.271 -0.058 1.00 0.00 C ATOM 147 C VAL A 10 9.000 3.423 0.244 1.00 0.00 C ATOM 148 O VAL A 10 7.873 3.194 0.667 1.00 0.00 O ATOM 149 CB VAL A 10 10.862 1.979 1.173 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.729 3.177 1.532 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.020 1.549 2.367 1.00 0.00 C ATOM 0 H VAL A 10 11.752 2.610 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 10 9.374 1.376 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 10 11.528 1.159 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.345 2.934 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.372 3.427 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.092 4.030 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.671 1.349 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.320 2.344 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.466 0.645 2.115 1.00 0.00 H new ATOM 161 N GLU A 11 9.436 4.657 0.003 1.00 0.00 N ATOM 162 CA GLU A 11 8.584 5.818 0.237 1.00 0.00 C ATOM 163 C GLU A 11 7.508 5.930 -0.836 1.00 0.00 C ATOM 164 O GLU A 11 6.387 6.361 -0.560 1.00 0.00 O ATOM 165 CB GLU A 11 9.413 7.099 0.288 1.00 0.00 C ATOM 166 CG GLU A 11 10.329 7.174 1.497 1.00 0.00 C ATOM 167 CD GLU A 11 11.133 8.458 1.543 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.621 9.458 2.085 1.00 0.00 O ATOM 169 OE2 GLU A 11 12.275 8.462 1.038 1.00 0.00 O ATOM 0 H GLU A 11 10.367 4.877 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 11 8.095 5.682 1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.013 7.171 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.742 7.958 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.732 7.091 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.011 6.324 1.485 1.00 0.00 H new ATOM 176 N GLU A 12 7.853 5.545 -2.058 1.00 0.00 N ATOM 177 CA GLU A 12 6.890 5.542 -3.155 1.00 0.00 C ATOM 178 C GLU A 12 5.714 4.621 -2.840 1.00 0.00 C ATOM 179 O GLU A 12 4.560 5.049 -2.860 1.00 0.00 O ATOM 180 CB GLU A 12 7.555 5.112 -4.464 1.00 0.00 C ATOM 181 CG GLU A 12 6.617 5.140 -5.656 1.00 0.00 C ATOM 182 CD GLU A 12 7.295 4.732 -6.947 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.366 3.516 -7.221 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.759 5.628 -7.682 1.00 0.00 O ATOM 0 H GLU A 12 8.789 5.232 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 12 6.516 6.559 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.403 5.767 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.951 4.103 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.776 4.473 -5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.208 6.144 -5.767 1.00 0.00 H new ATOM 191 N LEU A 13 6.001 3.357 -2.551 1.00 0.00 N ATOM 192 CA LEU A 13 4.942 2.413 -2.209 1.00 0.00 C ATOM 193 C LEU A 13 4.332 2.703 -0.840 1.00 0.00 C ATOM 194 O LEU A 13 3.180 2.354 -0.601 1.00 0.00 O ATOM 195 CB LEU A 13 5.407 0.956 -2.301 1.00 0.00 C ATOM 196 CG LEU A 13 5.593 0.446 -3.731 1.00 0.00 C ATOM 197 CD1 LEU A 13 6.917 0.908 -4.318 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.482 -1.067 -3.778 1.00 0.00 C ATOM 0 H LEU A 13 6.943 2.966 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 13 4.161 2.555 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.350 0.853 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.681 0.322 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 13 4.796 0.870 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.017 0.528 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.948 1.997 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.737 0.530 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.617 -1.410 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.251 -1.508 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.498 -1.371 -3.420 1.00 0.00 H new ATOM 210 N LEU A 14 5.087 3.345 0.051 1.00 0.00 N ATOM 211 CA LEU A 14 4.524 3.840 1.303 1.00 0.00 C ATOM 212 C LEU A 14 3.399 4.821 0.989 1.00 0.00 C ATOM 213 O LEU A 14 2.340 4.806 1.620 1.00 0.00 O ATOM 214 CB LEU A 14 5.632 4.489 2.162 1.00 0.00 C ATOM 215 CG LEU A 14 5.223 5.087 3.519 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.540 6.434 3.353 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.335 4.125 4.295 1.00 0.00 C ATOM 0 H LEU A 14 6.082 3.533 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 14 4.108 3.015 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.400 3.737 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.094 5.280 1.572 1.00 0.00 H new ATOM 0 HG LEU A 14 6.136 5.247 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.265 6.826 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.221 7.129 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.643 6.315 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.061 4.573 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.433 3.917 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.874 3.195 4.472 1.00 0.00 H new ATOM 229 N SER A 15 3.636 5.664 -0.002 1.00 0.00 N ATOM 230 CA SER A 15 2.630 6.591 -0.476 1.00 0.00 C ATOM 231 C SER A 15 1.515 5.830 -1.193 1.00 0.00 C ATOM 232 O SER A 15 0.343 6.198 -1.112 1.00 0.00 O ATOM 233 CB SER A 15 3.272 7.617 -1.411 1.00 0.00 C ATOM 234 OG SER A 15 4.408 8.216 -0.802 1.00 0.00 O ATOM 0 H SER A 15 4.526 5.723 -0.496 1.00 0.00 H new ATOM 0 HA SER A 15 2.196 7.118 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.566 7.133 -2.342 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.544 8.386 -1.668 1.00 0.00 H new ATOM 0 HG SER A 15 5.166 7.596 -0.842 1.00 0.00 H new ATOM 240 N LYS A 16 1.891 4.751 -1.876 1.00 0.00 N ATOM 241 CA LYS A 16 0.932 3.911 -2.581 1.00 0.00 C ATOM 242 C LYS A 16 -0.066 3.280 -1.610 1.00 0.00 C ATOM 243 O LYS A 16 -1.276 3.425 -1.787 1.00 0.00 O ATOM 244 CB LYS A 16 1.664 2.829 -3.379 1.00 0.00 C ATOM 245 CG LYS A 16 0.761 1.991 -4.268 1.00 0.00 C ATOM 246 CD LYS A 16 1.572 1.115 -5.209 1.00 0.00 C ATOM 247 CE LYS A 16 0.676 0.230 -6.057 1.00 0.00 C ATOM 248 NZ LYS A 16 1.442 -0.520 -7.088 1.00 0.00 N ATOM 0 H LYS A 16 2.859 4.439 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 16 0.372 4.540 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.426 3.303 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.183 2.170 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.117 1.366 -3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.109 2.645 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.183 1.744 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.256 0.494 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.150 -0.475 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.082 0.843 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.790 -1.111 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.924 0.151 -7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.148 -1.126 -6.623 1.00 0.00 H new ATOM 262 N ASN A 17 0.431 2.599 -0.573 1.00 0.00 N ATOM 263 CA ASN A 17 -0.455 1.978 0.412 1.00 0.00 C ATOM 264 C ASN A 17 -1.188 3.044 1.215 1.00 0.00 C ATOM 265 O ASN A 17 -2.274 2.800 1.731 1.00 0.00 O ATOM 266 CB ASN A 17 0.298 1.026 1.360 1.00 0.00 C ATOM 267 CG ASN A 17 1.258 1.730 2.303 1.00 0.00 C ATOM 268 OD1 ASN A 17 2.441 1.857 2.019 1.00 0.00 O ATOM 269 ND2 ASN A 17 0.759 2.179 3.443 1.00 0.00 N ATOM 0 H ASN A 17 1.427 2.466 -0.396 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.179 1.380 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.428 0.465 1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.854 0.301 0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.366 2.647 4.116 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.232 2.057 3.649 1.00 0.00 H new ATOM 276 N TYR A 18 -0.589 4.224 1.320 1.00 0.00 N ATOM 277 CA TYR A 18 -1.225 5.351 1.989 1.00 0.00 C ATOM 278 C TYR A 18 -2.481 5.765 1.233 1.00 0.00 C ATOM 279 O TYR A 18 -3.563 5.868 1.812 1.00 0.00 O ATOM 280 CB TYR A 18 -0.250 6.528 2.086 1.00 0.00 C ATOM 281 CG TYR A 18 -0.810 7.744 2.787 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.897 7.792 4.171 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.241 8.850 2.062 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.395 8.906 4.815 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.743 9.967 2.701 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.818 9.989 4.076 1.00 0.00 C ATOM 287 OH TYR A 18 -2.312 11.104 4.716 1.00 0.00 O ATOM 0 H TYR A 18 0.340 4.425 0.949 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.506 5.049 2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.646 6.200 2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.058 6.813 1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.570 6.944 4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.182 8.835 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.453 8.929 5.893 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.075 10.818 2.125 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.565 11.778 4.051 1.00 0.00 H new ATOM 297 N HIS A 19 -2.334 5.978 -0.069 1.00 0.00 N ATOM 298 CA HIS A 19 -3.458 6.364 -0.915 1.00 0.00 C ATOM 299 C HIS A 19 -4.459 5.223 -1.031 1.00 0.00 C ATOM 300 O HIS A 19 -5.662 5.448 -1.134 1.00 0.00 O ATOM 301 CB HIS A 19 -2.975 6.788 -2.306 1.00 0.00 C ATOM 302 CG HIS A 19 -2.182 8.057 -2.300 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.883 8.143 -2.755 1.00 0.00 N ATOM 304 CD2 HIS A 19 -2.514 9.301 -1.888 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.453 9.381 -2.621 1.00 0.00 C ATOM 306 NE2 HIS A 19 -1.422 10.105 -2.098 1.00 0.00 N ATOM 0 H HIS A 19 -1.446 5.890 -0.563 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.953 7.216 -0.448 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.365 5.990 -2.729 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.838 6.911 -2.960 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.463 9.606 -1.471 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.528 9.742 -2.894 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.369 11.101 -1.884 1.00 0.00 H new ATOM 315 N LEU A 20 -3.950 3.998 -1.005 1.00 0.00 N ATOM 316 CA LEU A 20 -4.797 2.814 -1.023 1.00 0.00 C ATOM 317 C LEU A 20 -5.609 2.712 0.266 1.00 0.00 C ATOM 318 O LEU A 20 -6.775 2.323 0.248 1.00 0.00 O ATOM 319 CB LEU A 20 -3.946 1.557 -1.214 1.00 0.00 C ATOM 320 CG LEU A 20 -4.028 0.898 -2.598 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.422 0.348 -2.844 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.654 1.881 -3.695 1.00 0.00 C ATOM 0 H LEU A 20 -2.950 3.799 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.490 2.900 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.905 1.812 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.243 0.823 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.314 0.074 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.462 -0.115 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.659 -0.396 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.147 1.160 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.721 1.387 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.338 2.729 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.635 2.233 -3.536 1.00 0.00 H new ATOM 334 N GLU A 21 -4.989 3.070 1.386 1.00 0.00 N ATOM 335 CA GLU A 21 -5.675 3.091 2.672 1.00 0.00 C ATOM 336 C GLU A 21 -6.803 4.113 2.624 1.00 0.00 C ATOM 337 O GLU A 21 -7.915 3.854 3.086 1.00 0.00 O ATOM 338 CB GLU A 21 -4.680 3.421 3.794 1.00 0.00 C ATOM 339 CG GLU A 21 -5.203 3.175 5.207 1.00 0.00 C ATOM 340 CD GLU A 21 -6.116 4.277 5.717 1.00 0.00 C ATOM 341 OE1 GLU A 21 -5.616 5.395 5.958 1.00 0.00 O ATOM 342 OE2 GLU A 21 -7.326 4.019 5.884 1.00 0.00 O ATOM 0 H GLU A 21 -4.009 3.350 1.428 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.101 2.109 2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.778 2.827 3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.390 4.468 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.744 2.229 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.357 3.072 5.886 1.00 0.00 H new ATOM 349 N ASN A 22 -6.505 5.269 2.047 1.00 0.00 N ATOM 350 CA ASN A 22 -7.504 6.318 1.858 1.00 0.00 C ATOM 351 C ASN A 22 -8.623 5.826 0.945 1.00 0.00 C ATOM 352 O ASN A 22 -9.769 6.260 1.051 1.00 0.00 O ATOM 353 CB ASN A 22 -6.865 7.573 1.251 1.00 0.00 C ATOM 354 CG ASN A 22 -5.768 8.175 2.113 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.885 8.037 3.426 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 -4.822 8.775 1.600 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.576 5.507 1.700 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.918 6.569 2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.452 7.324 0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.640 8.322 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.763 8.862 0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.097 9.184 2.190 1.00 0.00 H new ATOM 363 N GLU A 23 -8.274 4.895 0.067 1.00 0.00 N ATOM 364 CA GLU A 23 -9.197 4.370 -0.925 1.00 0.00 C ATOM 365 C GLU A 23 -10.179 3.391 -0.279 1.00 0.00 C ATOM 366 O GLU A 23 -11.353 3.350 -0.641 1.00 0.00 O ATOM 367 CB GLU A 23 -8.412 3.685 -2.049 1.00 0.00 C ATOM 368 CG GLU A 23 -9.239 3.358 -3.282 1.00 0.00 C ATOM 369 CD GLU A 23 -9.720 4.593 -4.019 1.00 0.00 C ATOM 370 OE1 GLU A 23 -10.950 4.807 -4.076 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.870 5.349 -4.533 1.00 0.00 O ATOM 0 H GLU A 23 -7.342 4.484 0.024 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.771 5.195 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.583 4.330 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.977 2.763 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.644 2.746 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.101 2.760 -2.986 1.00 0.00 H new ATOM 378 N VAL A 24 -9.700 2.612 0.683 1.00 0.00 N ATOM 379 CA VAL A 24 -10.569 1.691 1.407 1.00 0.00 C ATOM 380 C VAL A 24 -11.510 2.467 2.324 1.00 0.00 C ATOM 381 O VAL A 24 -12.696 2.156 2.424 1.00 0.00 O ATOM 382 CB VAL A 24 -9.767 0.667 2.249 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.700 -0.341 2.909 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.746 -0.049 1.390 1.00 0.00 C ATOM 0 H VAL A 24 -8.724 2.598 0.978 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.141 1.139 0.661 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.241 1.214 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.114 -1.050 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.397 0.183 3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.257 -0.878 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.194 -0.763 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.255 -0.578 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.053 0.678 0.966 1.00 0.00 H new ATOM 394 N ALA A 25 -10.978 3.502 2.962 1.00 0.00 N ATOM 395 CA ALA A 25 -11.739 4.278 3.938 1.00 0.00 C ATOM 396 C ALA A 25 -12.937 4.981 3.304 1.00 0.00 C ATOM 397 O ALA A 25 -14.004 5.065 3.909 1.00 0.00 O ATOM 398 CB ALA A 25 -10.841 5.288 4.632 1.00 0.00 C ATOM 0 H ALA A 25 -10.021 3.825 2.822 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.126 3.577 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.425 5.857 5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.035 4.765 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.418 5.968 3.892 1.00 0.00 H new ATOM 404 N ARG A 26 -12.762 5.484 2.086 1.00 0.00 N ATOM 405 CA ARG A 26 -13.847 6.158 1.390 1.00 0.00 C ATOM 406 C ARG A 26 -14.958 5.183 1.019 1.00 0.00 C ATOM 407 O ARG A 26 -16.141 5.500 1.147 1.00 0.00 O ATOM 408 CB ARG A 26 -13.336 6.892 0.148 1.00 0.00 C ATOM 409 CG ARG A 26 -12.332 6.119 -0.685 1.00 0.00 C ATOM 410 CD ARG A 26 -11.852 6.939 -1.869 1.00 0.00 C ATOM 411 NE ARG A 26 -12.904 7.152 -2.859 1.00 0.00 N ATOM 412 CZ ARG A 26 -12.717 7.774 -4.021 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.529 8.288 -4.318 1.00 0.00 N ATOM 414 NH2 ARG A 26 -13.720 7.889 -4.881 1.00 0.00 N ATOM 0 H ARG A 26 -11.886 5.437 1.566 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.263 6.898 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.189 7.147 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.879 7.831 0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.481 5.838 -0.065 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.786 5.194 -1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.488 7.904 -1.516 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.009 6.433 -2.341 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.839 6.803 -2.647 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.758 8.207 -3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.388 8.764 -5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.635 7.501 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.576 8.366 -5.771 1.00 0.00 H new ATOM 428 N LEU A 27 -14.580 3.995 0.566 1.00 0.00 N ATOM 429 CA LEU A 27 -15.563 2.963 0.250 1.00 0.00 C ATOM 430 C LEU A 27 -16.313 2.523 1.498 1.00 0.00 C ATOM 431 O LEU A 27 -17.487 2.175 1.425 1.00 0.00 O ATOM 432 CB LEU A 27 -14.918 1.751 -0.417 1.00 0.00 C ATOM 433 CG LEU A 27 -14.750 1.845 -1.936 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.926 3.058 -2.328 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.115 0.576 -2.469 1.00 0.00 C ATOM 0 H LEU A 27 -13.610 3.722 0.410 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.269 3.404 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.937 1.592 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.519 0.871 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.739 1.960 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.826 3.095 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.422 3.963 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.937 2.988 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.000 0.653 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.137 0.438 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.751 -0.277 -2.232 1.00 0.00 H new ATOM 447 N LYS A 28 -15.635 2.539 2.642 1.00 0.00 N ATOM 448 CA LYS A 28 -16.278 2.226 3.918 1.00 0.00 C ATOM 449 C LYS A 28 -17.504 3.109 4.141 1.00 0.00 C ATOM 450 O LYS A 28 -18.527 2.647 4.647 1.00 0.00 O ATOM 451 CB LYS A 28 -15.300 2.400 5.083 1.00 0.00 C ATOM 452 CG LYS A 28 -14.205 1.346 5.146 1.00 0.00 C ATOM 453 CD LYS A 28 -14.776 -0.040 5.401 1.00 0.00 C ATOM 454 CE LYS A 28 -13.678 -1.072 5.602 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.855 -0.784 6.804 1.00 0.00 N ATOM 0 H LYS A 28 -14.643 2.765 2.714 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.595 1.184 3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.837 3.384 5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.860 2.381 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.647 1.344 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.499 1.601 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.416 -0.013 6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.404 -0.335 4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.124 -2.062 5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.037 -1.095 4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.308 -1.630 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.204 0.001 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.476 -0.520 7.595 1.00 0.00 H new ATOM 469 N LYS A 29 -17.402 4.372 3.743 1.00 0.00 N ATOM 470 CA LYS A 29 -18.510 5.305 3.885 1.00 0.00 C ATOM 471 C LYS A 29 -19.616 4.998 2.883 1.00 0.00 C ATOM 472 O LYS A 29 -20.795 5.232 3.149 1.00 0.00 O ATOM 473 CB LYS A 29 -18.013 6.743 3.734 1.00 0.00 C ATOM 474 CG LYS A 29 -19.115 7.789 3.628 1.00 0.00 C ATOM 475 CD LYS A 29 -18.540 9.192 3.518 1.00 0.00 C ATOM 476 CE LYS A 29 -19.639 10.237 3.416 1.00 0.00 C ATOM 477 NZ LYS A 29 -19.092 11.618 3.371 1.00 0.00 N ATOM 0 H LYS A 29 -16.564 4.772 3.320 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.932 5.190 4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.381 6.986 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.385 6.805 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.735 7.579 2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.763 7.727 4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.917 9.401 4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.895 9.254 2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -20.232 10.053 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -20.311 10.141 4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -19.875 12.299 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -18.547 11.804 4.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -18.471 11.719 2.543 1.00 0.00 H new ATOM 491 N LEU A 30 -19.244 4.452 1.742 1.00 0.00 N ATOM 492 CA LEU A 30 -20.228 4.038 0.759 1.00 0.00 C ATOM 493 C LEU A 30 -20.935 2.773 1.229 1.00 0.00 C ATOM 494 O LEU A 30 -22.123 2.581 0.975 1.00 0.00 O ATOM 495 CB LEU A 30 -19.575 3.796 -0.597 1.00 0.00 C ATOM 496 CG LEU A 30 -18.913 5.017 -1.237 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.281 4.638 -2.565 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.923 6.140 -1.431 1.00 0.00 C ATOM 0 H LEU A 30 -18.274 4.285 1.473 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.959 4.839 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.824 3.014 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.332 3.414 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.131 5.374 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.814 5.517 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.526 3.869 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -19.049 4.256 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -19.430 6.998 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.729 5.797 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -20.335 6.430 -0.464 1.00 0.00 H new ATOM 510 N VAL A 31 -20.197 1.920 1.928 1.00 0.00 N ATOM 511 CA VAL A 31 -20.747 0.674 2.437 1.00 0.00 C ATOM 512 C VAL A 31 -21.617 0.921 3.673 1.00 0.00 C ATOM 513 O VAL A 31 -22.606 0.218 3.890 1.00 0.00 O ATOM 514 CB VAL A 31 -19.632 -0.356 2.760 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.225 -1.657 3.283 1.00 0.00 C ATOM 516 CG2 VAL A 31 -18.782 -0.623 1.528 1.00 0.00 C ATOM 0 H VAL A 31 -19.214 2.070 2.155 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.373 0.254 1.650 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.998 0.067 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.422 -2.361 3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.791 -1.459 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.887 -2.084 2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.005 -1.347 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.411 -1.020 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.320 0.307 1.196 1.00 0.00 H new ATOM 526 N GLY A 32 -21.277 1.935 4.471 1.00 0.00 N ATOM 527 CA GLY A 32 -22.065 2.209 5.658 1.00 0.00 C ATOM 528 C GLY A 32 -21.609 3.426 6.442 1.00 0.00 C ATOM 529 O GLY A 32 -21.759 3.456 7.664 1.00 0.00 O ATOM 0 H GLY A 32 -20.485 2.559 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -23.106 2.349 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -22.032 1.337 6.311 1.00 0.00 H new ATOM 533 N GLU A 33 -21.056 4.428 5.750 1.00 0.00 N ATOM 534 CA GLU A 33 -20.682 5.696 6.377 1.00 0.00 C ATOM 535 C GLU A 33 -19.732 5.481 7.552 1.00 0.00 C ATOM 536 O GLU A 33 -18.547 5.179 7.306 1.00 0.00 O ATOM 537 CB GLU A 33 -21.935 6.458 6.824 1.00 0.00 C ATOM 538 CG GLU A 33 -22.849 6.836 5.671 1.00 0.00 C ATOM 539 CD GLU A 33 -24.124 7.512 6.132 1.00 0.00 C ATOM 540 OE1 GLU A 33 -24.110 8.748 6.309 1.00 0.00 O ATOM 541 OE2 GLU A 33 -25.137 6.805 6.307 1.00 0.00 O ATOM 542 OXT GLU A 33 -20.166 5.634 8.714 1.00 0.00 O ATOM 0 H GLU A 33 -20.858 4.383 4.751 1.00 0.00 H new ATOM 0 HA GLU A 33 -20.154 6.295 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -22.491 5.845 7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.633 7.363 7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.315 7.501 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -23.102 5.940 5.105 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 25.545 -5.360 2.782 1.00 0.00 N ATOM 551 CA GLY B 1 25.032 -3.988 2.562 1.00 0.00 C ATOM 552 C GLY B 1 23.623 -3.821 3.090 1.00 0.00 C ATOM 553 O GLY B 1 22.996 -4.792 3.519 1.00 0.00 O ATOM 0 H1 GLY B 1 26.292 -5.340 3.506 1.00 0.00 H new ATOM 0 H2 GLY B 1 24.769 -5.974 3.103 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.935 -5.732 1.892 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.691 -3.271 3.052 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.050 -3.760 1.496 1.00 0.00 H new ATOM 559 N SER B 2 23.116 -2.597 3.065 1.00 0.00 N ATOM 560 CA SER B 2 21.774 -2.321 3.557 1.00 0.00 C ATOM 561 C SER B 2 20.753 -2.362 2.423 1.00 0.00 C ATOM 562 O SER B 2 19.547 -2.291 2.661 1.00 0.00 O ATOM 563 CB SER B 2 21.740 -0.964 4.258 1.00 0.00 C ATOM 564 OG SER B 2 22.626 -0.949 5.366 1.00 0.00 O ATOM 0 H SER B 2 23.613 -1.780 2.710 1.00 0.00 H new ATOM 0 HA SER B 2 21.508 -3.097 4.275 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.017 -0.179 3.554 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.726 -0.748 4.594 1.00 0.00 H new ATOM 0 HG SER B 2 22.591 -0.071 5.801 1.00 0.00 H new ATOM 570 N MET B 3 21.238 -2.495 1.193 1.00 0.00 N ATOM 571 CA MET B 3 20.359 -2.569 0.032 1.00 0.00 C ATOM 572 C MET B 3 19.472 -3.807 0.115 1.00 0.00 C ATOM 573 O MET B 3 18.285 -3.754 -0.206 1.00 0.00 O ATOM 574 CB MET B 3 21.179 -2.594 -1.261 1.00 0.00 C ATOM 575 CG MET B 3 20.334 -2.630 -2.524 1.00 0.00 C ATOM 576 SD MET B 3 21.335 -2.693 -4.023 1.00 0.00 S ATOM 577 CE MET B 3 20.057 -2.784 -5.276 1.00 0.00 C ATOM 0 H MET B 3 22.233 -2.554 0.975 1.00 0.00 H new ATOM 0 HA MET B 3 19.724 -1.683 0.025 1.00 0.00 H new ATOM 0 HB2 MET B 3 21.821 -1.714 -1.290 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.833 -3.466 -1.248 1.00 0.00 H new ATOM 0 HG2 MET B 3 19.677 -3.499 -2.493 1.00 0.00 H new ATOM 0 HG3 MET B 3 19.695 -1.748 -2.555 1.00 0.00 H new ATOM 0 HE1 MET B 3 20.518 -2.829 -6.263 1.00 0.00 H new ATOM 0 HE2 MET B 3 19.454 -3.678 -5.116 1.00 0.00 H new ATOM 0 HE3 MET B 3 19.421 -1.901 -5.212 1.00 0.00 H new ATOM 587 N LYS B 4 20.055 -4.916 0.569 1.00 0.00 N ATOM 588 CA LYS B 4 19.317 -6.163 0.736 1.00 0.00 C ATOM 589 C LYS B 4 18.219 -6.001 1.779 1.00 0.00 C ATOM 590 O LYS B 4 17.136 -6.570 1.653 1.00 0.00 O ATOM 591 CB LYS B 4 20.269 -7.296 1.140 1.00 0.00 C ATOM 592 CG LYS B 4 19.581 -8.642 1.340 1.00 0.00 C ATOM 593 CD LYS B 4 18.871 -9.115 0.077 1.00 0.00 C ATOM 594 CE LYS B 4 19.844 -9.364 -1.065 1.00 0.00 C ATOM 595 NZ LYS B 4 20.829 -10.431 -0.737 1.00 0.00 N ATOM 0 H LYS B 4 21.040 -4.974 0.828 1.00 0.00 H new ATOM 0 HA LYS B 4 18.853 -6.418 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.037 -7.402 0.374 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.777 -7.018 2.064 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.320 -9.385 1.640 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.859 -8.563 2.153 1.00 0.00 H new ATOM 0 HD2 LYS B 4 18.322 -10.032 0.292 1.00 0.00 H new ATOM 0 HD3 LYS B 4 18.138 -8.368 -0.228 1.00 0.00 H new ATOM 0 HE2 LYS B 4 19.288 -9.646 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.374 -8.440 -1.297 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 21.337 -10.711 -1.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 21.508 -10.073 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 20.330 -11.256 -0.346 1.00 0.00 H new ATOM 609 N GLN B 5 18.500 -5.209 2.803 1.00 0.00 N ATOM 610 CA GLN B 5 17.519 -4.940 3.840 1.00 0.00 C ATOM 611 C GLN B 5 16.360 -4.144 3.259 1.00 0.00 C ATOM 612 O GLN B 5 15.198 -4.448 3.514 1.00 0.00 O ATOM 613 CB GLN B 5 18.160 -4.182 5.004 1.00 0.00 C ATOM 614 CG GLN B 5 19.323 -4.925 5.644 1.00 0.00 C ATOM 615 CD GLN B 5 18.922 -6.284 6.189 1.00 0.00 C ATOM 616 OE1 GLN B 5 17.788 -6.487 6.625 1.00 0.00 O ATOM 617 NE2 GLN B 5 19.850 -7.225 6.167 1.00 0.00 N ATOM 0 H GLN B 5 19.397 -4.743 2.937 1.00 0.00 H new ATOM 0 HA GLN B 5 17.141 -5.889 4.221 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.510 -3.213 4.648 1.00 0.00 H new ATOM 0 HB3 GLN B 5 17.402 -3.988 5.762 1.00 0.00 H new ATOM 0 HG2 GLN B 5 20.116 -5.053 4.907 1.00 0.00 H new ATOM 0 HG3 GLN B 5 19.734 -4.321 6.453 1.00 0.00 H new ATOM 0 HE21 GLN B 5 20.778 -7.018 5.798 1.00 0.00 H new ATOM 0 HE22 GLN B 5 19.638 -8.159 6.519 1.00 0.00 H new ATOM 626 N LEU B 6 16.690 -3.149 2.444 1.00 0.00 N ATOM 627 CA LEU B 6 15.684 -2.324 1.784 1.00 0.00 C ATOM 628 C LEU B 6 14.844 -3.145 0.808 1.00 0.00 C ATOM 629 O LEU B 6 13.699 -2.795 0.518 1.00 0.00 O ATOM 630 CB LEU B 6 16.342 -1.152 1.054 1.00 0.00 C ATOM 631 CG LEU B 6 16.431 0.159 1.845 1.00 0.00 C ATOM 632 CD1 LEU B 6 15.040 0.682 2.169 1.00 0.00 C ATOM 633 CD2 LEU B 6 17.241 -0.026 3.121 1.00 0.00 C ATOM 0 H LEU B 6 17.652 -2.893 2.223 1.00 0.00 H new ATOM 0 HA LEU B 6 15.022 -1.932 2.556 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.350 -1.449 0.763 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.788 -0.963 0.135 1.00 0.00 H new ATOM 0 HG LEU B 6 16.943 0.894 1.223 1.00 0.00 H new ATOM 0 HD11 LEU B 6 15.123 1.613 2.730 1.00 0.00 H new ATOM 0 HD12 LEU B 6 14.495 0.864 1.243 1.00 0.00 H new ATOM 0 HD13 LEU B 6 14.504 -0.056 2.766 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.288 0.919 3.662 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.765 -0.780 3.748 1.00 0.00 H new ATOM 0 HD23 LEU B 6 18.251 -0.350 2.867 1.00 0.00 H new ATOM 645 N GLU B 7 15.413 -4.239 0.302 1.00 0.00 N ATOM 646 CA GLU B 7 14.669 -5.154 -0.555 1.00 0.00 C ATOM 647 C GLU B 7 13.489 -5.740 0.213 1.00 0.00 C ATOM 648 O GLU B 7 12.424 -5.977 -0.349 1.00 0.00 O ATOM 649 CB GLU B 7 15.564 -6.285 -1.073 1.00 0.00 C ATOM 650 CG GLU B 7 16.732 -5.815 -1.928 1.00 0.00 C ATOM 651 CD GLU B 7 16.293 -5.046 -3.158 1.00 0.00 C ATOM 652 OE1 GLU B 7 15.761 -5.676 -4.094 1.00 0.00 O ATOM 653 OE2 GLU B 7 16.487 -3.814 -3.188 1.00 0.00 O ATOM 0 H GLU B 7 16.382 -4.510 0.471 1.00 0.00 H new ATOM 0 HA GLU B 7 14.304 -4.590 -1.414 1.00 0.00 H new ATOM 0 HB2 GLU B 7 15.953 -6.844 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU B 7 14.956 -6.976 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.385 -5.184 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.320 -6.679 -2.237 1.00 0.00 H new ATOM 660 N ASP B 8 13.684 -5.952 1.508 1.00 0.00 N ATOM 661 CA ASP B 8 12.625 -6.473 2.363 1.00 0.00 C ATOM 662 C ASP B 8 11.579 -5.397 2.616 1.00 0.00 C ATOM 663 O ASP B 8 10.388 -5.683 2.667 1.00 0.00 O ATOM 664 CB ASP B 8 13.186 -6.974 3.695 1.00 0.00 C ATOM 665 CG ASP B 8 14.035 -8.218 3.538 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.251 -8.078 3.297 1.00 0.00 O ATOM 667 OD2 ASP B 8 13.484 -9.333 3.659 1.00 0.00 O ATOM 0 H ASP B 8 14.565 -5.771 1.989 1.00 0.00 H new ATOM 0 HA ASP B 8 12.161 -7.315 1.849 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.784 -6.186 4.153 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.361 -7.185 4.376 1.00 0.00 H new ATOM 672 N LYS B 9 12.040 -4.159 2.763 1.00 0.00 N ATOM 673 CA LYS B 9 11.148 -3.022 2.980 1.00 0.00 C ATOM 674 C LYS B 9 10.202 -2.842 1.799 1.00 0.00 C ATOM 675 O LYS B 9 8.983 -2.831 1.967 1.00 0.00 O ATOM 676 CB LYS B 9 11.943 -1.725 3.189 1.00 0.00 C ATOM 677 CG LYS B 9 12.435 -1.491 4.614 1.00 0.00 C ATOM 678 CD LYS B 9 13.428 -2.547 5.065 1.00 0.00 C ATOM 679 CE LYS B 9 14.120 -2.150 6.358 1.00 0.00 C ATOM 680 NZ LYS B 9 13.158 -1.945 7.471 1.00 0.00 N ATOM 0 H LYS B 9 13.030 -3.916 2.736 1.00 0.00 H new ATOM 0 HA LYS B 9 10.569 -3.233 3.879 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.804 -1.733 2.520 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.318 -0.882 2.894 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.901 -0.508 4.678 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.582 -1.484 5.293 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.911 -3.496 5.205 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.174 -2.702 4.285 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.836 -2.923 6.637 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.687 -1.233 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.680 -1.776 8.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.555 -1.124 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.564 -2.792 7.577 1.00 0.00 H new ATOM 694 N VAL B 10 10.772 -2.717 0.604 1.00 0.00 N ATOM 695 CA VAL B 10 9.982 -2.456 -0.590 1.00 0.00 C ATOM 696 C VAL B 10 9.014 -3.606 -0.881 1.00 0.00 C ATOM 697 O VAL B 10 7.881 -3.373 -1.293 1.00 0.00 O ATOM 698 CB VAL B 10 10.876 -2.173 -1.827 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.739 -3.374 -2.185 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.030 -1.744 -3.017 1.00 0.00 C ATOM 0 H VAL B 10 11.776 -2.792 0.439 1.00 0.00 H new ATOM 0 HA VAL B 10 9.398 -1.558 -0.390 1.00 0.00 H new ATOM 0 HB VAL B 10 11.546 -1.354 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.350 -3.136 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.387 -3.621 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.099 -4.227 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL B 10 10.677 -1.551 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.325 -2.537 -3.267 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.481 -0.837 -2.765 1.00 0.00 H new ATOM 710 N GLU B 11 9.445 -4.841 -0.636 1.00 0.00 N ATOM 711 CA GLU B 11 8.589 -6.001 -0.863 1.00 0.00 C ATOM 712 C GLU B 11 7.519 -6.108 0.215 1.00 0.00 C ATOM 713 O GLU B 11 6.396 -6.541 -0.056 1.00 0.00 O ATOM 714 CB GLU B 11 9.414 -7.283 -0.911 1.00 0.00 C ATOM 715 CG GLU B 11 10.325 -7.364 -2.120 1.00 0.00 C ATOM 716 CD GLU B 11 11.128 -8.646 -2.161 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.631 -9.639 -2.732 1.00 0.00 O ATOM 718 OE2 GLU B 11 12.250 -8.659 -1.617 1.00 0.00 O ATOM 0 H GLU B 11 10.376 -5.063 -0.283 1.00 0.00 H new ATOM 0 HA GLU B 11 8.097 -5.867 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.016 -7.353 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU B 11 8.741 -8.140 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.726 -7.286 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU B 11 11.006 -6.513 -2.114 1.00 0.00 H new ATOM 725 N GLU B 12 7.872 -5.723 1.435 1.00 0.00 N ATOM 726 CA GLU B 12 6.914 -5.705 2.534 1.00 0.00 C ATOM 727 C GLU B 12 5.742 -4.782 2.215 1.00 0.00 C ATOM 728 O GLU B 12 4.590 -5.209 2.225 1.00 0.00 O ATOM 729 CB GLU B 12 7.585 -5.270 3.840 1.00 0.00 C ATOM 730 CG GLU B 12 6.648 -5.291 5.038 1.00 0.00 C ATOM 731 CD GLU B 12 7.336 -4.891 6.325 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.402 -3.676 6.611 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.811 -5.792 7.046 1.00 0.00 O ATOM 0 H GLU B 12 8.812 -5.420 1.688 1.00 0.00 H new ATOM 0 HA GLU B 12 6.536 -6.719 2.661 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.433 -5.925 4.040 1.00 0.00 H new ATOM 0 HB3 GLU B 12 7.983 -4.263 3.717 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.813 -4.616 4.852 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.230 -6.292 5.150 1.00 0.00 H new ATOM 740 N LEU B 13 6.031 -3.518 1.926 1.00 0.00 N ATOM 741 CA LEU B 13 4.971 -2.571 1.584 1.00 0.00 C ATOM 742 C LEU B 13 4.351 -2.864 0.220 1.00 0.00 C ATOM 743 O LEU B 13 3.199 -2.510 -0.016 1.00 0.00 O ATOM 744 CB LEU B 13 5.438 -1.115 1.669 1.00 0.00 C ATOM 745 CG LEU B 13 5.632 -0.601 3.096 1.00 0.00 C ATOM 746 CD1 LEU B 13 6.959 -1.065 3.678 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.525 0.911 3.138 1.00 0.00 C ATOM 0 H LEU B 13 6.973 -3.128 1.921 1.00 0.00 H new ATOM 0 HA LEU B 13 4.194 -2.709 2.336 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.379 -1.015 1.128 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.710 -0.482 1.163 1.00 0.00 H new ATOM 0 HG LEU B 13 4.837 -1.021 3.712 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.065 -0.682 4.693 1.00 0.00 H new ATOM 0 HD12 LEU B 13 6.987 -2.154 3.696 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.777 -0.691 3.062 1.00 0.00 H new ATOM 0 HD21 LEU B 13 5.666 1.257 4.162 1.00 0.00 H new ATOM 0 HD22 LEU B 13 6.292 1.348 2.498 1.00 0.00 H new ATOM 0 HD23 LEU B 13 4.540 1.216 2.784 1.00 0.00 H new ATOM 759 N LEU B 14 5.100 -3.513 -0.672 1.00 0.00 N ATOM 760 CA LEU B 14 4.528 -4.009 -1.919 1.00 0.00 C ATOM 761 C LEU B 14 3.402 -4.986 -1.594 1.00 0.00 C ATOM 762 O LEU B 14 2.339 -4.969 -2.213 1.00 0.00 O ATOM 763 CB LEU B 14 5.629 -4.666 -2.780 1.00 0.00 C ATOM 764 CG LEU B 14 5.213 -5.268 -4.133 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.529 -6.614 -3.958 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.320 -4.311 -4.911 1.00 0.00 C ATOM 0 H LEU B 14 6.095 -3.705 -0.554 1.00 0.00 H new ATOM 0 HA LEU B 14 4.111 -3.185 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.399 -3.918 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.090 -5.457 -2.189 1.00 0.00 H new ATOM 0 HG LEU B 14 6.125 -5.428 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.249 -7.009 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.212 -7.308 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU B 14 3.635 -6.491 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.043 -4.765 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.420 -4.102 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU B 14 4.857 -3.381 -5.095 1.00 0.00 H new ATOM 778 N SER B 15 3.644 -5.824 -0.600 1.00 0.00 N ATOM 779 CA SER B 15 2.637 -6.748 -0.119 1.00 0.00 C ATOM 780 C SER B 15 1.527 -5.980 0.599 1.00 0.00 C ATOM 781 O SER B 15 0.353 -6.345 0.524 1.00 0.00 O ATOM 782 CB SER B 15 3.278 -7.775 0.814 1.00 0.00 C ATOM 783 OG SER B 15 4.410 -8.375 0.197 1.00 0.00 O ATOM 0 H SER B 15 4.536 -5.881 -0.109 1.00 0.00 H new ATOM 0 HA SER B 15 2.198 -7.277 -0.965 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.578 -7.292 1.744 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.549 -8.543 1.074 1.00 0.00 H new ATOM 0 HG SER B 15 5.174 -7.763 0.249 1.00 0.00 H new ATOM 789 N LYS B 16 1.909 -4.901 1.278 1.00 0.00 N ATOM 790 CA LYS B 16 0.955 -4.056 1.982 1.00 0.00 C ATOM 791 C LYS B 16 -0.043 -3.424 1.012 1.00 0.00 C ATOM 792 O LYS B 16 -1.254 -3.562 1.194 1.00 0.00 O ATOM 793 CB LYS B 16 1.695 -2.979 2.777 1.00 0.00 C ATOM 794 CG LYS B 16 0.798 -2.132 3.662 1.00 0.00 C ATOM 795 CD LYS B 16 1.617 -1.255 4.596 1.00 0.00 C ATOM 796 CE LYS B 16 0.728 -0.362 5.444 1.00 0.00 C ATOM 797 NZ LYS B 16 1.505 0.392 6.463 1.00 0.00 N ATOM 0 H LYS B 16 2.878 -4.592 1.354 1.00 0.00 H new ATOM 0 HA LYS B 16 0.391 -4.679 2.676 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.452 -3.458 3.398 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.221 -2.326 2.080 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.156 -1.507 3.041 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.144 -2.779 4.247 1.00 0.00 H new ATOM 0 HD2 LYS B 16 2.228 -1.883 5.244 1.00 0.00 H new ATOM 0 HD3 LYS B 16 2.301 -0.640 4.012 1.00 0.00 H new ATOM 0 HE2 LYS B 16 0.199 0.340 4.799 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.028 -0.970 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.860 0.989 7.020 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 1.990 -0.277 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 2.209 0.992 5.988 1.00 0.00 H new ATOM 811 N ASN B 17 0.451 -2.752 -0.032 1.00 0.00 N ATOM 812 CA ASN B 17 -0.435 -2.129 -1.013 1.00 0.00 C ATOM 813 C ASN B 17 -1.178 -3.195 -1.812 1.00 0.00 C ATOM 814 O ASN B 17 -2.264 -2.944 -2.329 1.00 0.00 O ATOM 815 CB ASN B 17 0.316 -1.184 -1.969 1.00 0.00 C ATOM 816 CG ASN B 17 1.271 -1.895 -2.913 1.00 0.00 C ATOM 817 OD1 ASN B 17 2.455 -2.018 -2.636 1.00 0.00 O ATOM 818 ND2 ASN B 17 0.765 -2.354 -4.048 1.00 0.00 N ATOM 0 H ASN B 17 1.446 -2.628 -0.216 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.151 -1.526 -0.455 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -0.412 -0.625 -2.557 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.876 -0.457 -1.380 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.368 -2.826 -4.721 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.228 -2.235 -4.249 1.00 0.00 H new ATOM 825 N TYR B 18 -0.585 -4.379 -1.914 1.00 0.00 N ATOM 826 CA TYR B 18 -1.229 -5.504 -2.577 1.00 0.00 C ATOM 827 C TYR B 18 -2.483 -5.911 -1.813 1.00 0.00 C ATOM 828 O TYR B 18 -3.570 -6.008 -2.383 1.00 0.00 O ATOM 829 CB TYR B 18 -0.256 -6.685 -2.675 1.00 0.00 C ATOM 830 CG TYR B 18 -0.822 -7.906 -3.366 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.916 -7.962 -4.750 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.253 -9.007 -2.633 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.421 -9.078 -5.386 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.760 -10.127 -3.264 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.842 -10.158 -4.639 1.00 0.00 C ATOM 836 OH TYR B 18 -2.347 -11.275 -5.269 1.00 0.00 O ATOM 0 H TYR B 18 0.343 -4.584 -1.544 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.516 -5.205 -3.585 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.637 -6.361 -3.210 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.059 -6.965 -1.670 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.588 -7.118 -5.339 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.190 -8.986 -1.555 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.486 -9.105 -6.464 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.091 -10.974 -2.682 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.596 -11.944 -4.598 1.00 0.00 H new ATOM 846 N HIS B 19 -2.328 -6.121 -0.510 1.00 0.00 N ATOM 847 CA HIS B 19 -3.448 -6.502 0.344 1.00 0.00 C ATOM 848 C HIS B 19 -4.442 -5.356 0.465 1.00 0.00 C ATOM 849 O HIS B 19 -5.646 -5.580 0.588 1.00 0.00 O ATOM 850 CB HIS B 19 -2.960 -6.924 1.733 1.00 0.00 C ATOM 851 CG HIS B 19 -2.172 -8.199 1.728 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.872 -8.285 2.173 1.00 0.00 N ATOM 853 CD2 HIS B 19 -2.512 -9.447 1.329 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.446 -9.527 2.049 1.00 0.00 C ATOM 855 NE2 HIS B 19 -1.422 -10.252 1.538 1.00 0.00 N ATOM 0 H HIS B 19 -1.437 -6.034 -0.022 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.947 -7.353 -0.118 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.344 -6.127 2.151 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.821 -7.041 2.392 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -3.465 -9.752 0.922 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.535 -9.889 2.320 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -1.374 -11.250 1.332 1.00 0.00 H new ATOM 864 N LEU B 20 -3.932 -4.133 0.427 1.00 0.00 N ATOM 865 CA LEU B 20 -4.777 -2.945 0.446 1.00 0.00 C ATOM 866 C LEU B 20 -5.595 -2.847 -0.839 1.00 0.00 C ATOM 867 O LEU B 20 -6.760 -2.456 -0.814 1.00 0.00 O ATOM 868 CB LEU B 20 -3.921 -1.691 0.628 1.00 0.00 C ATOM 869 CG LEU B 20 -3.997 -1.026 2.008 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.387 -0.471 2.260 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.622 -2.007 3.109 1.00 0.00 C ATOM 0 H LEU B 20 -2.932 -3.936 0.383 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.466 -3.024 1.287 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.882 -1.951 0.428 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.217 -0.959 -0.124 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.282 -0.204 2.020 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.419 -0.004 3.244 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.626 0.271 1.498 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -6.115 -1.281 2.219 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.684 -1.509 4.077 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.309 -2.853 3.091 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.604 -2.362 2.949 1.00 0.00 H new ATOM 883 N GLU B 21 -4.982 -3.213 -1.958 1.00 0.00 N ATOM 884 CA GLU B 21 -5.676 -3.235 -3.241 1.00 0.00 C ATOM 885 C GLU B 21 -6.806 -4.254 -3.186 1.00 0.00 C ATOM 886 O GLU B 21 -7.919 -3.994 -3.644 1.00 0.00 O ATOM 887 CB GLU B 21 -4.687 -3.575 -4.365 1.00 0.00 C ATOM 888 CG GLU B 21 -5.213 -3.325 -5.774 1.00 0.00 C ATOM 889 CD GLU B 21 -6.134 -4.420 -6.286 1.00 0.00 C ATOM 890 OE1 GLU B 21 -5.641 -5.542 -6.526 1.00 0.00 O ATOM 891 OE2 GLU B 21 -7.341 -4.151 -6.455 1.00 0.00 O ATOM 0 H GLU B 21 -4.004 -3.499 -2.004 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.100 -2.252 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.779 -2.989 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.406 -4.624 -4.278 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.748 -2.376 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.368 -3.225 -6.455 1.00 0.00 H new ATOM 898 N ASN B 22 -6.510 -5.408 -2.604 1.00 0.00 N ATOM 899 CA ASN B 22 -7.511 -6.452 -2.408 1.00 0.00 C ATOM 900 C ASN B 22 -8.622 -5.952 -1.491 1.00 0.00 C ATOM 901 O ASN B 22 -9.769 -6.386 -1.582 1.00 0.00 O ATOM 902 CB ASN B 22 -6.875 -7.707 -1.797 1.00 0.00 C ATOM 903 CG ASN B 22 -5.778 -8.311 -2.658 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.898 -8.180 -3.972 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 -4.834 -8.906 -2.139 1.00 0.00 N flip ATOM 0 H ASN B 22 -5.581 -5.647 -2.257 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.930 -6.705 -3.382 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.462 -7.457 -0.820 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.651 -8.455 -1.633 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.777 -8.985 -1.124 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.108 -9.320 -2.724 1.00 0.00 H new ATOM 912 N GLU B 23 -8.265 -5.015 -0.622 1.00 0.00 N ATOM 913 CA GLU B 23 -9.181 -4.484 0.372 1.00 0.00 C ATOM 914 C GLU B 23 -10.165 -3.505 -0.273 1.00 0.00 C ATOM 915 O GLU B 23 -11.336 -3.458 0.098 1.00 0.00 O ATOM 916 CB GLU B 23 -8.389 -3.797 1.490 1.00 0.00 C ATOM 917 CG GLU B 23 -9.207 -3.466 2.727 1.00 0.00 C ATOM 918 CD GLU B 23 -9.696 -4.700 3.459 1.00 0.00 C ATOM 919 OE1 GLU B 23 -10.927 -4.902 3.519 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.851 -5.468 3.963 1.00 0.00 O ATOM 0 H GLU B 23 -7.332 -4.604 -0.589 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.755 -5.306 0.800 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.559 -4.442 1.780 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -7.956 -2.876 1.099 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.603 -2.863 3.405 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -10.064 -2.858 2.438 1.00 0.00 H new ATOM 927 N VAL B 24 -9.690 -2.733 -1.242 1.00 0.00 N ATOM 928 CA VAL B 24 -10.561 -1.813 -1.965 1.00 0.00 C ATOM 929 C VAL B 24 -11.509 -2.589 -2.875 1.00 0.00 C ATOM 930 O VAL B 24 -12.697 -2.278 -2.966 1.00 0.00 O ATOM 931 CB VAL B 24 -9.760 -0.794 -2.813 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.690 0.216 -3.472 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.729 -0.080 -1.963 1.00 0.00 C ATOM 0 H VAL B 24 -8.716 -2.724 -1.544 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.129 -1.258 -1.218 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.241 -1.347 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -10.103 0.920 -4.062 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.391 -0.306 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -11.242 0.758 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -8.178 0.631 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -9.230 0.453 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -8.036 -0.809 -1.543 1.00 0.00 H new ATOM 943 N ALA B 25 -10.980 -3.627 -3.514 1.00 0.00 N ATOM 944 CA ALA B 25 -11.747 -4.405 -4.483 1.00 0.00 C ATOM 945 C ALA B 25 -12.944 -5.100 -3.841 1.00 0.00 C ATOM 946 O ALA B 25 -14.018 -5.181 -4.443 1.00 0.00 O ATOM 947 CB ALA B 25 -10.857 -5.423 -5.172 1.00 0.00 C ATOM 0 H ALA B 25 -10.022 -3.950 -3.379 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.132 -3.706 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.445 -5.994 -5.891 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.050 -4.908 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.436 -6.100 -4.429 1.00 0.00 H new ATOM 953 N ARG B 26 -12.766 -5.601 -2.620 1.00 0.00 N ATOM 954 CA ARG B 26 -13.847 -6.272 -1.918 1.00 0.00 C ATOM 955 C ARG B 26 -14.953 -5.292 -1.544 1.00 0.00 C ATOM 956 O ARG B 26 -16.138 -5.607 -1.667 1.00 0.00 O ATOM 957 CB ARG B 26 -13.335 -7.005 -0.675 1.00 0.00 C ATOM 958 CG ARG B 26 -12.327 -6.230 0.155 1.00 0.00 C ATOM 959 CD ARG B 26 -11.846 -7.046 1.341 1.00 0.00 C ATOM 960 NE ARG B 26 -12.893 -7.254 2.338 1.00 0.00 N ATOM 961 CZ ARG B 26 -12.697 -7.871 3.504 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.511 -8.394 3.792 1.00 0.00 N ATOM 963 NH2 ARG B 26 -13.693 -7.974 4.375 1.00 0.00 N ATOM 0 H ARG B 26 -11.888 -5.553 -2.103 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.265 -7.014 -2.598 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.187 -7.257 -0.043 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.880 -7.945 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.476 -5.953 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -12.779 -5.303 0.508 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.485 -8.013 0.990 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -11.000 -6.540 1.807 1.00 0.00 H new ATOM 0 HE ARG B 26 -13.829 -6.907 2.130 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -10.746 -8.325 3.121 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.365 -8.865 4.685 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -14.608 -7.581 4.152 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -13.544 -8.446 5.267 1.00 0.00 H new ATOM 977 N LEU B 27 -14.570 -4.102 -1.095 1.00 0.00 N ATOM 978 CA LEU B 27 -15.549 -3.067 -0.780 1.00 0.00 C ATOM 979 C LEU B 27 -16.305 -2.631 -2.026 1.00 0.00 C ATOM 980 O LEU B 27 -17.479 -2.283 -1.948 1.00 0.00 O ATOM 981 CB LEU B 27 -14.899 -1.853 -0.119 1.00 0.00 C ATOM 982 CG LEU B 27 -14.723 -1.943 1.399 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.897 -3.155 1.790 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.090 -0.673 1.927 1.00 0.00 C ATOM 0 H LEU B 27 -13.599 -3.831 -0.942 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.253 -3.504 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.920 -1.696 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.500 -0.973 -0.346 1.00 0.00 H new ATOM 0 HG LEU B 27 -15.710 -2.058 1.848 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.791 -3.189 2.874 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -14.395 -4.061 1.446 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -12.911 -3.086 1.331 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.970 -0.748 3.008 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -13.114 -0.532 1.462 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -14.730 0.178 1.692 1.00 0.00 H new ATOM 996 N LYS B 28 -15.630 -2.650 -3.172 1.00 0.00 N ATOM 997 CA LYS B 28 -16.278 -2.340 -4.446 1.00 0.00 C ATOM 998 C LYS B 28 -17.509 -3.218 -4.660 1.00 0.00 C ATOM 999 O LYS B 28 -18.532 -2.755 -5.160 1.00 0.00 O ATOM 1000 CB LYS B 28 -15.305 -2.521 -5.616 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.206 -1.472 -5.686 1.00 0.00 C ATOM 1002 CD LYS B 28 -14.773 -0.084 -5.945 1.00 0.00 C ATOM 1003 CE LYS B 28 -13.672 0.946 -6.145 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.848 0.652 -7.345 1.00 0.00 N ATOM 0 H LYS B 28 -14.638 -2.876 -3.246 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.591 -1.297 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.846 -3.507 -5.542 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -15.869 -2.502 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.646 -1.468 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.503 -1.732 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.411 -0.111 -6.828 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.402 0.214 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.116 1.937 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.032 0.969 -5.263 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.298 1.496 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.200 -0.134 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.469 0.388 -8.136 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.409 -4.480 -4.256 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.519 -5.411 -4.392 1.00 0.00 C ATOM 1020 C LYS B 29 -19.620 -5.096 -3.386 1.00 0.00 C ATOM 1021 O LYS B 29 -20.798 -5.330 -3.646 1.00 0.00 O ATOM 1022 CB LYS B 29 -18.027 -6.851 -4.237 1.00 0.00 C ATOM 1023 CG LYS B 29 -19.132 -7.892 -4.121 1.00 0.00 C ATOM 1024 CD LYS B 29 -18.561 -9.296 -4.009 1.00 0.00 C ATOM 1025 CE LYS B 29 -19.663 -10.338 -3.900 1.00 0.00 C ATOM 1026 NZ LYS B 29 -19.117 -11.720 -3.846 1.00 0.00 N ATOM 0 H LYS B 29 -16.571 -4.879 -3.833 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.942 -5.300 -5.390 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.400 -7.100 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.395 -6.911 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -19.747 -7.677 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -19.784 -7.831 -4.992 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.942 -9.509 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.913 -9.358 -3.135 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -20.256 -10.147 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -20.335 -10.246 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.900 -12.400 -3.772 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -18.572 -11.912 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.496 -11.816 -3.017 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.243 -4.545 -2.248 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.223 -4.128 -1.264 1.00 0.00 C ATOM 1042 C LEU B 30 -20.926 -2.859 -1.732 1.00 0.00 C ATOM 1043 O LEU B 30 -22.110 -2.656 -1.466 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.563 -3.887 0.090 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.897 -5.107 0.729 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.257 -4.724 2.053 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.907 -6.225 0.931 1.00 0.00 C ATOM 0 H LEU B 30 -18.272 -4.377 -1.983 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.958 -4.926 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.812 -3.105 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.317 -3.505 0.778 1.00 0.00 H new ATOM 0 HG LEU B 30 -18.119 -5.467 0.056 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.787 -5.601 2.497 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.503 -3.955 1.884 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -19.021 -4.341 2.729 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -19.413 -7.083 1.387 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -20.708 -5.878 1.584 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -20.325 -6.516 -0.033 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.188 -2.013 -2.438 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.735 -0.766 -2.950 1.00 0.00 C ATOM 1061 C VAL B 31 -21.608 -1.015 -4.184 1.00 0.00 C ATOM 1062 O VAL B 31 -22.592 -0.307 -4.403 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.620 0.260 -3.281 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.211 1.561 -3.802 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -18.762 0.527 -2.054 1.00 0.00 C ATOM 0 H VAL B 31 -19.207 -2.169 -2.669 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.356 -0.342 -2.161 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.993 -0.167 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.407 2.262 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -20.783 1.363 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -20.867 1.991 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -17.985 1.249 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.385 0.927 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.300 -0.403 -1.723 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.274 -2.033 -4.975 1.00 0.00 N ATOM 1076 CA GLY B 32 -22.069 -2.309 -6.157 1.00 0.00 C ATOM 1077 C GLY B 32 -21.626 -3.533 -6.936 1.00 0.00 C ATOM 1078 O GLY B 32 -21.790 -3.567 -8.157 1.00 0.00 O ATOM 0 H GLY B 32 -20.483 -2.659 -4.822 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -23.109 -2.440 -5.858 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -22.033 -1.441 -6.815 1.00 0.00 H new ATOM 1082 N GLU B 33 -21.073 -4.535 -6.246 1.00 0.00 N ATOM 1083 CA GLU B 33 -20.711 -5.807 -6.869 1.00 0.00 C ATOM 1084 C GLU B 33 -19.764 -5.606 -8.047 1.00 0.00 C ATOM 1085 O GLU B 33 -18.576 -5.315 -7.805 1.00 0.00 O ATOM 1086 CB GLU B 33 -21.968 -6.561 -7.308 1.00 0.00 C ATOM 1087 CG GLU B 33 -22.881 -6.932 -6.149 1.00 0.00 C ATOM 1088 CD GLU B 33 -24.160 -7.604 -6.603 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -24.153 -8.841 -6.773 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -25.170 -6.893 -6.785 1.00 0.00 O ATOM 1091 OXT GLU B 33 -20.203 -5.759 -9.206 1.00 0.00 O ATOM 0 H GLU B 33 -20.866 -4.486 -5.248 1.00 0.00 H new ATOM 0 HA GLU B 33 -20.185 -6.405 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -22.523 -5.947 -8.017 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -21.674 -7.469 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -22.347 -7.597 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -23.129 -6.033 -5.585 1.00 0.00 H new TER 1098 GLU B 33