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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -156:sc= 0 (180deg=-0.404) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -0.0303 (180deg=-0.238) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -106:sc= 0.132 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -2.63! C(o=-2.6!,f=-3.8!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0827 X(o=-0.083,f=-0.55) USER MOD Single : A 22 ASN : amide:sc= 1.15 K(o=1.1,f=-0.0046) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.0463 (180deg=-0.256) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -154:sc= 0 (180deg=-0.483) USER MOD Single : B 4 LYS NZ :NH3+ 165:sc= -0.0319 (180deg=-0.247) USER MOD Single : B 5 GLN :FLIP amide:sc=-0.000482 F(o=-0.97,f=-0.00048) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ -107:sc= 0.209 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -2.74! C(o=-2.7!,f=-3.6!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.58) USER MOD Single : B 22 ASN : amide:sc= 1.23 K(o=1.2,f=-0.0051) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 164:sc= -0.0422 (180deg=-0.259) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.169 -4.058 -5.166 1.00 0.00 N ATOM 2 CA GLY A 1 19.778 -2.640 -5.355 1.00 0.00 C ATOM 3 C GLY A 1 20.576 -1.710 -4.467 1.00 0.00 C ATOM 4 O GLY A 1 20.796 -2.010 -3.293 1.00 0.00 O ATOM 0 H1 GLY A 1 19.599 -4.662 -5.792 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.177 -4.174 -5.396 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.006 -4.334 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.924 -2.359 -6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.716 -2.525 -5.139 1.00 0.00 H new ATOM 10 N SER A 2 21.022 -0.593 -5.027 1.00 0.00 N ATOM 11 CA SER A 2 21.801 0.385 -4.280 1.00 0.00 C ATOM 12 C SER A 2 20.941 1.098 -3.235 1.00 0.00 C ATOM 13 O SER A 2 19.711 1.075 -3.321 1.00 0.00 O ATOM 14 CB SER A 2 22.423 1.394 -5.241 1.00 0.00 C ATOM 15 OG SER A 2 23.226 0.738 -6.208 1.00 0.00 O ATOM 0 H SER A 2 20.856 -0.341 -6.001 1.00 0.00 H new ATOM 0 HA SER A 2 22.596 -0.140 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.637 1.962 -5.739 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.028 2.109 -4.684 1.00 0.00 H new ATOM 0 HG SER A 2 23.614 1.402 -6.816 1.00 0.00 H new ATOM 21 N MET A 3 21.589 1.728 -2.261 1.00 0.00 N ATOM 22 CA MET A 3 20.889 2.342 -1.133 1.00 0.00 C ATOM 23 C MET A 3 19.854 3.364 -1.593 1.00 0.00 C ATOM 24 O MET A 3 18.673 3.244 -1.271 1.00 0.00 O ATOM 25 CB MET A 3 21.881 3.007 -0.177 1.00 0.00 C ATOM 26 CG MET A 3 22.800 2.024 0.531 1.00 0.00 C ATOM 27 SD MET A 3 23.935 2.838 1.671 1.00 0.00 S ATOM 28 CE MET A 3 24.832 1.428 2.313 1.00 0.00 C ATOM 0 H MET A 3 22.604 1.828 -2.228 1.00 0.00 H new ATOM 0 HA MET A 3 20.365 1.542 -0.610 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.487 3.720 -0.735 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.327 3.575 0.570 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.198 1.299 1.079 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.372 1.468 -0.211 1.00 0.00 H new ATOM 0 HE1 MET A 3 25.246 1.674 3.291 1.00 0.00 H new ATOM 0 HE2 MET A 3 24.155 0.579 2.409 1.00 0.00 H new ATOM 0 HE3 MET A 3 25.642 1.171 1.631 1.00 0.00 H new ATOM 38 N LYS A 4 20.299 4.361 -2.350 1.00 0.00 N ATOM 39 CA LYS A 4 19.414 5.427 -2.812 1.00 0.00 C ATOM 40 C LYS A 4 18.300 4.869 -3.697 1.00 0.00 C ATOM 41 O LYS A 4 17.148 5.289 -3.595 1.00 0.00 O ATOM 42 CB LYS A 4 20.211 6.492 -3.573 1.00 0.00 C ATOM 43 CG LYS A 4 19.363 7.654 -4.077 1.00 0.00 C ATOM 44 CD LYS A 4 18.702 8.412 -2.934 1.00 0.00 C ATOM 45 CE LYS A 4 19.715 9.170 -2.091 1.00 0.00 C ATOM 46 NZ LYS A 4 20.386 10.253 -2.861 1.00 0.00 N ATOM 0 H LYS A 4 21.267 4.454 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 4 18.956 5.888 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.993 6.881 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.708 6.022 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.988 8.337 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.596 7.277 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 4 17.971 9.112 -3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.157 7.711 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.215 9.599 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.466 8.475 -1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.883 10.889 -2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.070 9.835 -3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.674 10.793 -3.393 1.00 0.00 H new ATOM 60 N GLN A 5 18.652 3.916 -4.553 1.00 0.00 N ATOM 61 CA GLN A 5 17.680 3.266 -5.422 1.00 0.00 C ATOM 62 C GLN A 5 16.565 2.624 -4.600 1.00 0.00 C ATOM 63 O GLN A 5 15.383 2.785 -4.904 1.00 0.00 O ATOM 64 CB GLN A 5 18.369 2.211 -6.290 1.00 0.00 C ATOM 65 CG GLN A 5 17.411 1.420 -7.166 1.00 0.00 C ATOM 66 CD GLN A 5 18.111 0.369 -8.003 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.338 0.648 -8.412 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 17.545 -0.686 -8.291 1.00 0.00 N flip ATOM 0 H GLN A 5 19.607 3.576 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 5 17.238 4.023 -6.070 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.107 2.701 -6.925 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.912 1.520 -5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.664 0.937 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 5 16.878 2.106 -7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.598 -0.865 -7.956 1.00 0.00 H new ATOM 0 HE22 GLN A 5 18.023 -1.381 -8.864 1.00 0.00 H new ATOM 77 N LEU A 6 16.948 1.913 -3.548 1.00 0.00 N ATOM 78 CA LEU A 6 15.974 1.255 -2.682 1.00 0.00 C ATOM 79 C LEU A 6 15.209 2.286 -1.862 1.00 0.00 C ATOM 80 O LEU A 6 14.037 2.088 -1.539 1.00 0.00 O ATOM 81 CB LEU A 6 16.651 0.244 -1.746 1.00 0.00 C ATOM 82 CG LEU A 6 17.324 -0.950 -2.431 1.00 0.00 C ATOM 83 CD1 LEU A 6 17.987 -1.846 -1.400 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.315 -1.740 -3.248 1.00 0.00 C ATOM 0 H LEU A 6 17.921 1.776 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 6 15.276 0.715 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.401 0.770 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.904 -0.135 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 6 18.090 -0.570 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.461 -2.690 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.741 -1.278 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.236 -2.215 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.814 -2.583 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.526 -2.109 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.881 -1.095 -4.012 1.00 0.00 H new ATOM 96 N GLU A 7 15.877 3.392 -1.550 1.00 0.00 N ATOM 97 CA GLU A 7 15.285 4.462 -0.762 1.00 0.00 C ATOM 98 C GLU A 7 14.143 5.135 -1.524 1.00 0.00 C ATOM 99 O GLU A 7 13.169 5.592 -0.925 1.00 0.00 O ATOM 100 CB GLU A 7 16.370 5.481 -0.381 1.00 0.00 C ATOM 101 CG GLU A 7 15.855 6.721 0.333 1.00 0.00 C ATOM 102 CD GLU A 7 16.977 7.653 0.739 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.701 7.331 1.707 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.141 8.718 0.107 1.00 0.00 O ATOM 0 H GLU A 7 16.840 3.569 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 7 14.864 4.039 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.103 4.989 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.893 5.790 -1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.161 7.252 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.294 6.422 1.219 1.00 0.00 H new ATOM 111 N ASP A 8 14.259 5.185 -2.845 1.00 0.00 N ATOM 112 CA ASP A 8 13.186 5.717 -3.678 1.00 0.00 C ATOM 113 C ASP A 8 11.969 4.805 -3.622 1.00 0.00 C ATOM 114 O ASP A 8 10.848 5.256 -3.389 1.00 0.00 O ATOM 115 CB ASP A 8 13.636 5.878 -5.133 1.00 0.00 C ATOM 116 CG ASP A 8 14.536 7.075 -5.351 1.00 0.00 C ATOM 117 OD1 ASP A 8 14.135 8.201 -4.991 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.631 6.905 -5.923 1.00 0.00 O ATOM 0 H ASP A 8 15.079 4.866 -3.361 1.00 0.00 H new ATOM 0 HA ASP A 8 12.923 6.700 -3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.161 4.975 -5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.757 5.972 -5.770 1.00 0.00 H new ATOM 123 N LYS A 9 12.201 3.516 -3.832 1.00 0.00 N ATOM 124 CA LYS A 9 11.106 2.531 -3.854 1.00 0.00 C ATOM 125 C LYS A 9 10.440 2.398 -2.491 1.00 0.00 C ATOM 126 O LYS A 9 9.215 2.403 -2.399 1.00 0.00 O ATOM 127 CB LYS A 9 11.578 1.142 -4.282 1.00 0.00 C ATOM 128 CG LYS A 9 12.701 1.157 -5.309 1.00 0.00 C ATOM 129 CD LYS A 9 12.772 -0.145 -6.096 1.00 0.00 C ATOM 130 CE LYS A 9 12.945 -1.354 -5.190 1.00 0.00 C ATOM 131 NZ LYS A 9 13.000 -2.621 -5.964 1.00 0.00 N ATOM 0 H LYS A 9 13.128 3.121 -3.990 1.00 0.00 H new ATOM 0 HA LYS A 9 10.392 2.911 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.914 0.596 -3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.731 0.593 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.552 1.989 -5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.652 1.328 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.862 -0.262 -6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.604 -0.098 -6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.860 -1.244 -4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.119 -1.397 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.118 -3.422 -5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.117 -2.739 -6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.804 -2.590 -6.624 1.00 0.00 H new ATOM 145 N VAL A 10 11.254 2.285 -1.439 1.00 0.00 N ATOM 146 CA VAL A 10 10.744 2.088 -0.079 1.00 0.00 C ATOM 147 C VAL A 10 9.821 3.246 0.268 1.00 0.00 C ATOM 148 O VAL A 10 8.828 3.096 0.982 1.00 0.00 O ATOM 149 CB VAL A 10 11.891 1.982 0.962 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.640 3.293 1.107 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.360 1.526 2.311 1.00 0.00 C ATOM 0 H VAL A 10 12.271 2.327 -1.503 1.00 0.00 H new ATOM 0 HA VAL A 10 10.197 1.146 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 10 12.593 1.235 0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.435 3.178 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.073 3.573 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.951 4.071 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.183 1.460 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.624 2.243 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.892 0.547 2.206 1.00 0.00 H new ATOM 161 N GLU A 11 10.148 4.392 -0.305 1.00 0.00 N ATOM 162 CA GLU A 11 9.363 5.604 -0.114 1.00 0.00 C ATOM 163 C GLU A 11 8.109 5.608 -0.997 1.00 0.00 C ATOM 164 O GLU A 11 7.004 5.816 -0.498 1.00 0.00 O ATOM 165 CB GLU A 11 10.213 6.842 -0.400 1.00 0.00 C ATOM 166 CG GLU A 11 9.507 8.149 -0.084 1.00 0.00 C ATOM 167 CD GLU A 11 10.380 9.357 -0.335 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.292 9.939 -1.435 1.00 0.00 O ATOM 169 OE2 GLU A 11 11.164 9.731 0.561 1.00 0.00 O ATOM 0 H GLU A 11 10.959 4.510 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 11 9.040 5.627 0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.132 6.785 0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.502 6.839 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.604 8.226 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.191 8.144 0.959 1.00 0.00 H new ATOM 176 N GLU A 12 8.278 5.376 -2.305 1.00 0.00 N ATOM 177 CA GLU A 12 7.153 5.403 -3.243 1.00 0.00 C ATOM 178 C GLU A 12 6.068 4.406 -2.836 1.00 0.00 C ATOM 179 O GLU A 12 4.890 4.757 -2.726 1.00 0.00 O ATOM 180 CB GLU A 12 7.640 5.086 -4.658 1.00 0.00 C ATOM 181 CG GLU A 12 6.525 5.053 -5.690 1.00 0.00 C ATOM 182 CD GLU A 12 7.016 4.681 -7.071 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.349 5.591 -7.856 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.059 3.474 -7.386 1.00 0.00 O ATOM 0 H GLU A 12 9.180 5.169 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 12 6.723 6.405 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.377 5.832 -4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.147 4.121 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.765 4.338 -5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.045 6.031 -5.731 1.00 0.00 H new ATOM 191 N LEU A 13 6.483 3.166 -2.635 1.00 0.00 N ATOM 192 CA LEU A 13 5.595 2.099 -2.187 1.00 0.00 C ATOM 193 C LEU A 13 4.839 2.493 -0.921 1.00 0.00 C ATOM 194 O LEU A 13 3.635 2.287 -0.831 1.00 0.00 O ATOM 195 CB LEU A 13 6.391 0.817 -1.929 1.00 0.00 C ATOM 196 CG LEU A 13 7.172 0.274 -3.129 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.956 -0.963 -2.734 1.00 0.00 C ATOM 198 CD2 LEU A 13 6.236 -0.038 -4.284 1.00 0.00 C ATOM 0 H LEU A 13 7.448 2.867 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 13 4.868 1.924 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.092 1.003 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.702 0.045 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 13 7.874 1.041 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.506 -1.337 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.658 -0.711 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.269 -1.732 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.812 -0.422 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.508 -0.786 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.715 0.871 -4.586 1.00 0.00 H new ATOM 210 N LEU A 14 5.550 3.054 0.053 1.00 0.00 N ATOM 211 CA LEU A 14 4.940 3.481 1.308 1.00 0.00 C ATOM 212 C LEU A 14 3.937 4.604 1.069 1.00 0.00 C ATOM 213 O LEU A 14 2.859 4.616 1.666 1.00 0.00 O ATOM 214 CB LEU A 14 6.016 3.924 2.310 1.00 0.00 C ATOM 215 CG LEU A 14 5.497 4.419 3.664 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.757 3.312 4.401 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.646 4.942 4.509 1.00 0.00 C ATOM 0 H LEU A 14 6.554 3.224 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 14 4.405 2.631 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.691 3.086 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.606 4.719 1.854 1.00 0.00 H new ATOM 0 HG LEU A 14 4.795 5.233 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.399 3.689 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.909 2.980 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.432 2.473 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.263 5.290 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.368 4.143 4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.132 5.768 3.991 1.00 0.00 H new ATOM 229 N SER A 15 4.288 5.539 0.189 1.00 0.00 N ATOM 230 CA SER A 15 3.391 6.627 -0.166 1.00 0.00 C ATOM 231 C SER A 15 2.076 6.075 -0.719 1.00 0.00 C ATOM 232 O SER A 15 0.989 6.507 -0.322 1.00 0.00 O ATOM 233 CB SER A 15 4.065 7.545 -1.193 1.00 0.00 C ATOM 234 OG SER A 15 3.295 8.711 -1.437 1.00 0.00 O ATOM 0 H SER A 15 5.189 5.562 -0.290 1.00 0.00 H new ATOM 0 HA SER A 15 3.167 7.208 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.054 7.830 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.210 7.002 -2.127 1.00 0.00 H new ATOM 0 HG SER A 15 3.754 9.274 -2.095 1.00 0.00 H new ATOM 240 N LYS A 16 2.167 5.101 -1.622 1.00 0.00 N ATOM 241 CA LYS A 16 0.967 4.507 -2.189 1.00 0.00 C ATOM 242 C LYS A 16 0.279 3.624 -1.153 1.00 0.00 C ATOM 243 O LYS A 16 -0.940 3.637 -1.043 1.00 0.00 O ATOM 244 CB LYS A 16 1.273 3.689 -3.451 1.00 0.00 C ATOM 245 CG LYS A 16 0.066 3.530 -4.370 1.00 0.00 C ATOM 246 CD LYS A 16 0.297 2.498 -5.464 1.00 0.00 C ATOM 247 CE LYS A 16 0.109 1.080 -4.949 1.00 0.00 C ATOM 248 NZ LYS A 16 0.211 0.077 -6.038 1.00 0.00 N ATOM 0 H LYS A 16 3.045 4.714 -1.970 1.00 0.00 H new ATOM 0 HA LYS A 16 0.302 5.322 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.080 4.171 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.632 2.702 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.801 3.239 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.168 4.492 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.393 2.680 -6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.305 2.610 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.860 0.868 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.865 0.995 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.736 -0.287 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.622 0.523 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.819 -0.708 -5.731 1.00 0.00 H new ATOM 262 N ASN A 17 1.068 2.872 -0.388 1.00 0.00 N ATOM 263 CA ASN A 17 0.536 2.019 0.677 1.00 0.00 C ATOM 264 C ASN A 17 -0.361 2.836 1.604 1.00 0.00 C ATOM 265 O ASN A 17 -1.469 2.419 1.945 1.00 0.00 O ATOM 266 CB ASN A 17 1.694 1.391 1.466 1.00 0.00 C ATOM 267 CG ASN A 17 1.258 0.306 2.445 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.135 0.301 2.939 1.00 0.00 O ATOM 269 ND2 ASN A 17 2.162 -0.619 2.751 1.00 0.00 N ATOM 0 H ASN A 17 2.083 2.835 -0.485 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.060 1.222 0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.411 0.966 0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.214 2.176 2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.930 -1.359 3.413 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.088 -0.588 2.324 1.00 0.00 H new ATOM 276 N TYR A 18 0.126 4.015 1.987 1.00 0.00 N ATOM 277 CA TYR A 18 -0.625 4.945 2.803 1.00 0.00 C ATOM 278 C TYR A 18 -1.978 5.269 2.171 1.00 0.00 C ATOM 279 O TYR A 18 -2.983 5.404 2.872 1.00 0.00 O ATOM 280 CB TYR A 18 0.195 6.220 2.965 1.00 0.00 C ATOM 281 CG TYR A 18 -0.309 7.110 4.058 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.042 8.249 3.772 1.00 0.00 C ATOM 283 CD2 TYR A 18 -0.053 6.802 5.379 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.509 9.059 4.782 1.00 0.00 C ATOM 285 CE2 TYR A 18 -0.513 7.602 6.394 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.241 8.735 6.095 1.00 0.00 C ATOM 287 OH TYR A 18 -1.707 9.541 7.109 1.00 0.00 O ATOM 0 H TYR A 18 1.057 4.346 1.735 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.816 4.492 3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.232 5.954 3.171 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.188 6.771 2.024 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.250 8.505 2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.519 5.917 5.617 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.082 9.944 4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.306 7.346 7.423 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.432 9.171 7.974 1.00 0.00 H new ATOM 297 N HIS A 19 -1.994 5.389 0.847 1.00 0.00 N ATOM 298 CA HIS A 19 -3.225 5.691 0.120 1.00 0.00 C ATOM 299 C HIS A 19 -4.245 4.577 0.289 1.00 0.00 C ATOM 300 O HIS A 19 -5.338 4.801 0.807 1.00 0.00 O ATOM 301 CB HIS A 19 -2.951 5.904 -1.375 1.00 0.00 C ATOM 302 CG HIS A 19 -2.108 7.104 -1.670 1.00 0.00 C ATOM 303 ND1 HIS A 19 -1.426 7.272 -2.855 1.00 0.00 N ATOM 304 CD2 HIS A 19 -1.844 8.205 -0.928 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.775 8.421 -2.826 1.00 0.00 C ATOM 306 NE2 HIS A 19 -1.014 9.006 -1.668 1.00 0.00 N ATOM 0 H HIS A 19 -1.170 5.282 0.255 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.628 6.613 0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.457 5.018 -1.774 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.902 6.002 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.218 8.414 0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.153 8.815 -3.616 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.641 9.908 -1.372 1.00 0.00 H new ATOM 315 N LEU A 20 -3.865 3.370 -0.115 1.00 0.00 N ATOM 316 CA LEU A 20 -4.790 2.239 -0.115 1.00 0.00 C ATOM 317 C LEU A 20 -5.268 1.932 1.296 1.00 0.00 C ATOM 318 O LEU A 20 -6.440 1.626 1.501 1.00 0.00 O ATOM 319 CB LEU A 20 -4.171 0.978 -0.747 1.00 0.00 C ATOM 320 CG LEU A 20 -3.896 1.034 -2.261 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.163 1.358 -3.027 1.00 0.00 C ATOM 322 CD2 LEU A 20 -2.810 2.036 -2.604 1.00 0.00 C ATOM 0 H LEU A 20 -2.926 3.148 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.643 2.531 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.231 0.767 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.836 0.137 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.544 0.046 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.944 1.392 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.911 0.589 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.546 2.326 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.648 2.043 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.115 3.030 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.885 1.756 -2.100 1.00 0.00 H new ATOM 334 N GLU A 21 -4.367 2.042 2.265 1.00 0.00 N ATOM 335 CA GLU A 21 -4.703 1.780 3.661 1.00 0.00 C ATOM 336 C GLU A 21 -5.854 2.677 4.125 1.00 0.00 C ATOM 337 O GLU A 21 -6.793 2.218 4.779 1.00 0.00 O ATOM 338 CB GLU A 21 -3.472 1.992 4.546 1.00 0.00 C ATOM 339 CG GLU A 21 -3.687 1.630 6.009 1.00 0.00 C ATOM 340 CD GLU A 21 -3.742 0.138 6.261 1.00 0.00 C ATOM 341 OE1 GLU A 21 -2.681 -0.519 6.209 1.00 0.00 O ATOM 342 OE2 GLU A 21 -4.841 -0.380 6.554 1.00 0.00 O ATOM 0 H GLU A 21 -3.396 2.311 2.110 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.027 0.743 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.648 1.396 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.168 3.037 4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.882 2.061 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.616 2.083 6.354 1.00 0.00 H new ATOM 349 N ASN A 22 -5.792 3.950 3.759 1.00 0.00 N ATOM 350 CA ASN A 22 -6.815 4.906 4.170 1.00 0.00 C ATOM 351 C ASN A 22 -8.070 4.783 3.313 1.00 0.00 C ATOM 352 O ASN A 22 -9.177 5.054 3.781 1.00 0.00 O ATOM 353 CB ASN A 22 -6.277 6.338 4.121 1.00 0.00 C ATOM 354 CG ASN A 22 -5.402 6.665 5.317 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.895 7.091 6.360 1.00 0.00 O ATOM 356 ND2 ASN A 22 -4.098 6.467 5.182 1.00 0.00 N ATOM 0 H ASN A 22 -5.049 4.345 3.182 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.085 4.671 5.200 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.703 6.477 3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.113 7.037 4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.468 6.669 5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.724 6.112 4.302 1.00 0.00 H new ATOM 363 N GLU A 23 -7.899 4.364 2.066 1.00 0.00 N ATOM 364 CA GLU A 23 -9.030 4.187 1.165 1.00 0.00 C ATOM 365 C GLU A 23 -9.858 2.970 1.565 1.00 0.00 C ATOM 366 O GLU A 23 -11.085 2.981 1.440 1.00 0.00 O ATOM 367 CB GLU A 23 -8.561 4.075 -0.285 1.00 0.00 C ATOM 368 CG GLU A 23 -7.982 5.373 -0.824 1.00 0.00 C ATOM 369 CD GLU A 23 -7.617 5.300 -2.292 1.00 0.00 C ATOM 370 OE1 GLU A 23 -6.412 5.256 -2.609 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.537 5.311 -3.139 1.00 0.00 O ATOM 0 H GLU A 23 -6.992 4.141 1.657 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.666 5.069 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.808 3.290 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.401 3.771 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.705 6.175 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.094 5.634 -0.248 1.00 0.00 H new ATOM 378 N VAL A 24 -9.186 1.930 2.058 1.00 0.00 N ATOM 379 CA VAL A 24 -9.874 0.765 2.604 1.00 0.00 C ATOM 380 C VAL A 24 -10.808 1.196 3.729 1.00 0.00 C ATOM 381 O VAL A 24 -11.995 0.878 3.720 1.00 0.00 O ATOM 382 CB VAL A 24 -8.884 -0.298 3.143 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.618 -1.396 3.899 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.079 -0.905 2.008 1.00 0.00 C ATOM 0 H VAL A 24 -8.168 1.872 2.090 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.443 0.314 1.791 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.204 0.203 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.899 -2.128 4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.155 -0.961 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.326 -1.886 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.390 -1.649 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.754 -1.381 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.514 -0.121 1.503 1.00 0.00 H new ATOM 394 N ALA A 25 -10.259 1.953 4.677 1.00 0.00 N ATOM 395 CA ALA A 25 -11.019 2.437 5.828 1.00 0.00 C ATOM 396 C ALA A 25 -12.273 3.201 5.402 1.00 0.00 C ATOM 397 O ALA A 25 -13.347 3.008 5.968 1.00 0.00 O ATOM 398 CB ALA A 25 -10.139 3.315 6.705 1.00 0.00 C ATOM 0 H ALA A 25 -9.282 2.246 4.670 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.344 1.567 6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.715 3.670 7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.285 2.737 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.785 4.168 6.127 1.00 0.00 H new ATOM 404 N ARG A 26 -12.132 4.056 4.397 1.00 0.00 N ATOM 405 CA ARG A 26 -13.253 4.837 3.889 1.00 0.00 C ATOM 406 C ARG A 26 -14.353 3.919 3.375 1.00 0.00 C ATOM 407 O ARG A 26 -15.509 4.028 3.782 1.00 0.00 O ATOM 408 CB ARG A 26 -12.788 5.776 2.772 1.00 0.00 C ATOM 409 CG ARG A 26 -13.915 6.596 2.158 1.00 0.00 C ATOM 410 CD ARG A 26 -13.403 7.530 1.072 1.00 0.00 C ATOM 411 NE ARG A 26 -14.489 8.266 0.422 1.00 0.00 N ATOM 412 CZ ARG A 26 -14.320 9.084 -0.617 1.00 0.00 C ATOM 413 NH1 ARG A 26 -13.105 9.306 -1.103 1.00 0.00 N ATOM 414 NH2 ARG A 26 -15.366 9.692 -1.160 1.00 0.00 N ATOM 0 H ARG A 26 -11.249 4.227 3.916 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.652 5.436 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.032 6.453 3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.310 5.187 1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.665 5.926 1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.407 7.178 2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.696 8.237 1.506 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.859 6.953 0.325 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.434 8.145 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.296 8.850 -0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.980 9.933 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.300 9.534 -0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.236 10.318 -1.955 1.00 0.00 H new ATOM 428 N LEU A 27 -13.978 2.998 2.496 1.00 0.00 N ATOM 429 CA LEU A 27 -14.932 2.070 1.905 1.00 0.00 C ATOM 430 C LEU A 27 -15.542 1.138 2.958 1.00 0.00 C ATOM 431 O LEU A 27 -16.642 0.622 2.768 1.00 0.00 O ATOM 432 CB LEU A 27 -14.260 1.261 0.793 1.00 0.00 C ATOM 433 CG LEU A 27 -13.670 2.092 -0.344 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.886 1.209 -1.293 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.767 2.833 -1.093 1.00 0.00 C ATOM 0 H LEU A 27 -13.017 2.874 2.176 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.746 2.654 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.465 0.658 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.991 0.569 0.375 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.991 2.828 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.472 1.817 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.075 0.723 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.546 0.451 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.325 3.419 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.472 2.114 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.291 3.498 -0.406 1.00 0.00 H new ATOM 447 N LYS A 28 -14.842 0.947 4.077 1.00 0.00 N ATOM 448 CA LYS A 28 -15.343 0.109 5.157 1.00 0.00 C ATOM 449 C LYS A 28 -16.593 0.726 5.764 1.00 0.00 C ATOM 450 O LYS A 28 -17.622 0.061 5.895 1.00 0.00 O ATOM 451 CB LYS A 28 -14.291 -0.068 6.257 1.00 0.00 C ATOM 452 CG LYS A 28 -13.129 -0.973 5.886 1.00 0.00 C ATOM 453 CD LYS A 28 -13.555 -2.426 5.780 1.00 0.00 C ATOM 454 CE LYS A 28 -12.350 -3.333 5.604 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.731 -4.767 5.549 1.00 0.00 N ATOM 0 H LYS A 28 -13.928 1.363 4.255 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.578 -0.868 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.898 0.913 6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.778 -0.471 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.705 -0.649 4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.342 -0.879 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.104 -2.714 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.234 -2.549 4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.825 -3.063 4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.655 -3.175 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.877 -5.349 5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.209 -5.033 6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.374 -4.925 4.747 1.00 0.00 H new ATOM 469 N LYS A 29 -16.499 2.005 6.128 1.00 0.00 N ATOM 470 CA LYS A 29 -17.633 2.717 6.717 1.00 0.00 C ATOM 471 C LYS A 29 -18.785 2.823 5.721 1.00 0.00 C ATOM 472 O LYS A 29 -19.947 2.932 6.114 1.00 0.00 O ATOM 473 CB LYS A 29 -17.221 4.129 7.186 1.00 0.00 C ATOM 474 CG LYS A 29 -16.402 4.197 8.482 1.00 0.00 C ATOM 475 CD LYS A 29 -15.130 3.367 8.413 1.00 0.00 C ATOM 476 CE LYS A 29 -14.380 3.374 9.735 1.00 0.00 C ATOM 477 NZ LYS A 29 -15.179 2.765 10.832 1.00 0.00 N ATOM 0 H LYS A 29 -15.654 2.567 6.026 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.964 2.144 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.644 4.600 6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.125 4.724 7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.143 5.235 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.015 3.848 9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.379 2.341 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.484 3.756 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.443 2.829 9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.122 4.399 10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.558 2.557 11.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.923 3.428 11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.616 1.883 10.495 1.00 0.00 H new ATOM 491 N LEU A 30 -18.462 2.790 4.435 1.00 0.00 N ATOM 492 CA LEU A 30 -19.477 2.864 3.386 1.00 0.00 C ATOM 493 C LEU A 30 -20.247 1.547 3.279 1.00 0.00 C ATOM 494 O LEU A 30 -21.479 1.537 3.314 1.00 0.00 O ATOM 495 CB LEU A 30 -18.831 3.215 2.033 1.00 0.00 C ATOM 496 CG LEU A 30 -18.607 4.711 1.725 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.225 5.497 2.970 1.00 0.00 C ATOM 498 CD2 LEU A 30 -17.525 4.862 0.670 1.00 0.00 C ATOM 0 H LEU A 30 -17.505 2.712 4.090 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.181 3.652 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -17.866 2.711 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.454 2.797 1.243 1.00 0.00 H new ATOM 0 HG LEU A 30 -19.548 5.117 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -18.077 6.545 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -19.022 5.417 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.302 5.093 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -17.371 5.920 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.596 4.427 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.831 4.348 -0.241 1.00 0.00 H new ATOM 510 N VAL A 31 -19.523 0.439 3.147 1.00 0.00 N ATOM 511 CA VAL A 31 -20.151 -0.882 3.108 1.00 0.00 C ATOM 512 C VAL A 31 -20.825 -1.226 4.441 1.00 0.00 C ATOM 513 O VAL A 31 -21.832 -1.934 4.474 1.00 0.00 O ATOM 514 CB VAL A 31 -19.122 -1.992 2.783 1.00 0.00 C ATOM 515 CG1 VAL A 31 -19.798 -3.351 2.674 1.00 0.00 C ATOM 516 CG2 VAL A 31 -18.364 -1.675 1.509 1.00 0.00 C ATOM 0 H VAL A 31 -18.506 0.427 3.065 1.00 0.00 H new ATOM 0 HA VAL A 31 -20.902 -0.838 2.320 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.408 -2.031 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.051 -4.111 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.284 -3.593 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.544 -3.324 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.648 -2.471 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.065 -1.595 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.833 -0.731 1.627 1.00 0.00 H new ATOM 526 N GLY A 32 -20.277 -0.708 5.535 1.00 0.00 N ATOM 527 CA GLY A 32 -20.769 -1.061 6.849 1.00 0.00 C ATOM 528 C GLY A 32 -20.014 -2.249 7.395 1.00 0.00 C ATOM 529 O GLY A 32 -20.582 -3.117 8.056 1.00 0.00 O ATOM 0 H GLY A 32 -19.499 -0.048 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -20.661 -0.212 7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.833 -1.292 6.795 1.00 0.00 H new ATOM 533 N GLU A 33 -18.728 -2.292 7.095 1.00 0.00 N ATOM 534 CA GLU A 33 -17.892 -3.416 7.463 1.00 0.00 C ATOM 535 C GLU A 33 -16.982 -3.035 8.625 1.00 0.00 C ATOM 536 O GLU A 33 -16.000 -2.302 8.400 1.00 0.00 O ATOM 537 CB GLU A 33 -17.069 -3.866 6.251 1.00 0.00 C ATOM 538 CG GLU A 33 -16.342 -5.184 6.456 1.00 0.00 C ATOM 539 CD GLU A 33 -17.276 -6.297 6.883 1.00 0.00 C ATOM 540 OE1 GLU A 33 -18.158 -6.679 6.089 1.00 0.00 O ATOM 541 OE2 GLU A 33 -17.135 -6.791 8.019 1.00 0.00 O ATOM 542 OXT GLU A 33 -17.260 -3.469 9.762 1.00 0.00 O ATOM 0 H GLU A 33 -18.238 -1.552 6.592 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.523 -4.245 7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.730 -3.957 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.339 -3.093 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.842 -5.468 5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.566 -5.055 7.211 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 20.143 3.853 5.496 1.00 0.00 N ATOM 551 CA GLY B 1 19.792 2.429 5.702 1.00 0.00 C ATOM 552 C GLY B 1 20.595 1.511 4.805 1.00 0.00 C ATOM 553 O GLY B 1 20.794 1.810 3.627 1.00 0.00 O ATOM 0 H1 GLY B 1 19.570 4.447 6.129 1.00 0.00 H new ATOM 0 H2 GLY B 1 21.152 3.996 5.705 1.00 0.00 H new ATOM 0 H3 GLY B 1 19.954 4.118 4.508 1.00 0.00 H new ATOM 0 HA2 GLY B 1 19.965 2.160 6.744 1.00 0.00 H new ATOM 0 HA3 GLY B 1 18.729 2.286 5.508 1.00 0.00 H new ATOM 559 N SER B 2 21.066 0.402 5.362 1.00 0.00 N ATOM 560 CA SER B 2 21.844 -0.567 4.605 1.00 0.00 C ATOM 561 C SER B 2 20.977 -1.292 3.573 1.00 0.00 C ATOM 562 O SER B 2 19.749 -1.287 3.679 1.00 0.00 O ATOM 563 CB SER B 2 22.490 -1.571 5.559 1.00 0.00 C ATOM 564 OG SER B 2 23.305 -0.910 6.514 1.00 0.00 O ATOM 0 H SER B 2 20.921 0.152 6.340 1.00 0.00 H new ATOM 0 HA SER B 2 22.625 -0.032 4.064 1.00 0.00 H new ATOM 0 HB2 SER B 2 21.716 -2.143 6.070 1.00 0.00 H new ATOM 0 HB3 SER B 2 23.091 -2.282 4.992 1.00 0.00 H new ATOM 0 HG SER B 2 23.707 -1.572 7.115 1.00 0.00 H new ATOM 570 N MET B 3 21.618 -1.917 2.589 1.00 0.00 N ATOM 571 CA MET B 3 20.908 -2.544 1.473 1.00 0.00 C ATOM 572 C MET B 3 19.892 -3.576 1.954 1.00 0.00 C ATOM 573 O MET B 3 18.701 -3.462 1.666 1.00 0.00 O ATOM 574 CB MET B 3 21.895 -3.201 0.505 1.00 0.00 C ATOM 575 CG MET B 3 22.792 -2.212 -0.221 1.00 0.00 C ATOM 576 SD MET B 3 23.919 -3.016 -1.376 1.00 0.00 S ATOM 577 CE MET B 3 24.796 -1.595 -2.025 1.00 0.00 C ATOM 0 H MET B 3 22.633 -2.004 2.540 1.00 0.00 H new ATOM 0 HA MET B 3 20.366 -1.754 0.953 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.518 -3.904 1.058 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.337 -3.780 -0.231 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.174 -1.496 -0.762 1.00 0.00 H new ATOM 0 HG3 MET B 3 23.370 -1.646 0.510 1.00 0.00 H new ATOM 0 HE1 MET B 3 25.170 -1.823 -3.023 1.00 0.00 H new ATOM 0 HE2 MET B 3 24.119 -0.742 -2.077 1.00 0.00 H new ATOM 0 HE3 MET B 3 25.634 -1.354 -1.370 1.00 0.00 H new ATOM 587 N LYS B 4 20.364 -4.569 2.699 1.00 0.00 N ATOM 588 CA LYS B 4 19.501 -5.645 3.180 1.00 0.00 C ATOM 589 C LYS B 4 18.396 -5.099 4.081 1.00 0.00 C ATOM 590 O LYS B 4 17.249 -5.540 4.006 1.00 0.00 O ATOM 591 CB LYS B 4 20.324 -6.697 3.930 1.00 0.00 C ATOM 592 CG LYS B 4 19.498 -7.867 4.448 1.00 0.00 C ATOM 593 CD LYS B 4 18.828 -8.642 3.322 1.00 0.00 C ATOM 594 CE LYS B 4 19.838 -9.389 2.463 1.00 0.00 C ATOM 595 NZ LYS B 4 20.537 -10.454 3.228 1.00 0.00 N ATOM 0 H LYS B 4 21.340 -4.653 2.984 1.00 0.00 H new ATOM 0 HA LYS B 4 19.035 -6.115 2.314 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.101 -7.078 3.267 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.828 -6.220 4.770 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.140 -8.539 5.017 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.737 -7.496 5.134 1.00 0.00 H new ATOM 0 HD2 LYS B 4 18.116 -9.351 3.744 1.00 0.00 H new ATOM 0 HD3 LYS B 4 18.259 -7.954 2.697 1.00 0.00 H new ATOM 0 HE2 LYS B 4 19.329 -9.832 1.607 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.571 -8.685 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 21.019 -11.097 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 21.238 -10.022 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 19.844 -10.990 3.789 1.00 0.00 H new ATOM 609 N GLN B 5 18.747 -4.134 4.924 1.00 0.00 N ATOM 610 CA GLN B 5 17.779 -3.496 5.809 1.00 0.00 C ATOM 611 C GLN B 5 16.643 -2.870 5.005 1.00 0.00 C ATOM 612 O GLN B 5 15.468 -3.045 5.329 1.00 0.00 O ATOM 613 CB GLN B 5 18.466 -2.431 6.665 1.00 0.00 C ATOM 614 CG GLN B 5 17.507 -1.655 7.552 1.00 0.00 C ATOM 615 CD GLN B 5 18.202 -0.595 8.382 1.00 0.00 C ATOM 616 OE1 GLN B 5 19.441 -0.854 8.773 1.00 0.00 O flip ATOM 617 NE2 GLN B 5 17.622 0.447 8.683 1.00 0.00 N flip ATOM 0 H GLN B 5 19.698 -3.776 5.013 1.00 0.00 H new ATOM 0 HA GLN B 5 17.359 -4.259 6.464 1.00 0.00 H new ATOM 0 HB2 GLN B 5 19.220 -2.909 7.290 1.00 0.00 H new ATOM 0 HB3 GLN B 5 18.990 -1.733 6.012 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.746 -1.182 6.931 1.00 0.00 H new ATOM 0 HG3 GLN B 5 16.991 -2.349 8.215 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.667 0.610 8.363 1.00 0.00 H new ATOM 0 HE22 GLN B 5 18.096 1.148 9.253 1.00 0.00 H new ATOM 626 N LEU B 6 17.001 -2.158 3.945 1.00 0.00 N ATOM 627 CA LEU B 6 16.007 -1.517 3.091 1.00 0.00 C ATOM 628 C LEU B 6 15.245 -2.562 2.285 1.00 0.00 C ATOM 629 O LEU B 6 14.066 -2.382 1.981 1.00 0.00 O ATOM 630 CB LEU B 6 16.657 -0.499 2.144 1.00 0.00 C ATOM 631 CG LEU B 6 17.323 0.706 2.819 1.00 0.00 C ATOM 632 CD1 LEU B 6 17.960 1.611 1.776 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.314 1.484 3.650 1.00 0.00 C ATOM 0 H LEU B 6 17.968 -2.009 3.656 1.00 0.00 H new ATOM 0 HA LEU B 6 15.309 -0.984 3.737 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.406 -1.016 1.544 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.895 -0.132 1.457 1.00 0.00 H new ATOM 0 HG LEU B 6 18.103 0.337 3.485 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.429 2.462 2.270 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.714 1.053 1.222 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.194 1.968 1.088 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.808 2.334 4.120 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.511 1.842 3.006 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.899 0.834 4.421 1.00 0.00 H new ATOM 645 N GLU B 7 15.923 -3.660 1.965 1.00 0.00 N ATOM 646 CA GLU B 7 15.334 -4.740 1.189 1.00 0.00 C ATOM 647 C GLU B 7 14.213 -5.426 1.971 1.00 0.00 C ATOM 648 O GLU B 7 13.237 -5.904 1.391 1.00 0.00 O ATOM 649 CB GLU B 7 16.426 -5.745 0.793 1.00 0.00 C ATOM 650 CG GLU B 7 15.916 -6.994 0.090 1.00 0.00 C ATOM 651 CD GLU B 7 17.040 -7.923 -0.314 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.733 -7.624 -1.308 1.00 0.00 O ATOM 653 OE2 GLU B 7 17.236 -8.963 0.345 1.00 0.00 O ATOM 0 H GLU B 7 16.893 -3.824 2.236 1.00 0.00 H new ATOM 0 HA GLU B 7 14.893 -4.325 0.283 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.142 -5.245 0.141 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.967 -6.045 1.690 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.228 -7.524 0.749 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.350 -6.705 -0.796 1.00 0.00 H new ATOM 660 N ASP B 8 14.348 -5.471 3.290 1.00 0.00 N ATOM 661 CA ASP B 8 13.294 -6.017 4.139 1.00 0.00 C ATOM 662 C ASP B 8 12.064 -5.121 4.097 1.00 0.00 C ATOM 663 O ASP B 8 10.947 -5.587 3.878 1.00 0.00 O ATOM 664 CB ASP B 8 13.766 -6.175 5.589 1.00 0.00 C ATOM 665 CG ASP B 8 14.691 -7.359 5.794 1.00 0.00 C ATOM 666 OD1 ASP B 8 14.309 -8.493 5.425 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.791 -7.171 6.356 1.00 0.00 O ATOM 0 H ASP B 8 15.170 -5.139 3.794 1.00 0.00 H new ATOM 0 HA ASP B 8 13.039 -7.004 3.753 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.279 -5.264 5.898 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.896 -6.286 6.237 1.00 0.00 H new ATOM 672 N LYS B 9 12.284 -3.828 4.300 1.00 0.00 N ATOM 673 CA LYS B 9 11.176 -2.856 4.333 1.00 0.00 C ATOM 674 C LYS B 9 10.488 -2.735 2.980 1.00 0.00 C ATOM 675 O LYS B 9 9.262 -2.757 2.906 1.00 0.00 O ATOM 676 CB LYS B 9 11.634 -1.461 4.752 1.00 0.00 C ATOM 677 CG LYS B 9 12.772 -1.459 5.762 1.00 0.00 C ATOM 678 CD LYS B 9 12.835 -0.154 6.548 1.00 0.00 C ATOM 679 CE LYS B 9 12.973 1.056 5.638 1.00 0.00 C ATOM 680 NZ LYS B 9 13.011 2.326 6.410 1.00 0.00 N ATOM 0 H LYS B 9 13.208 -3.421 4.444 1.00 0.00 H new ATOM 0 HA LYS B 9 10.478 -3.245 5.074 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.949 -0.912 3.865 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.786 -0.923 5.175 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.645 -2.293 6.453 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.718 -1.616 5.243 1.00 0.00 H new ATOM 0 HD2 LYS B 9 11.934 -0.052 7.152 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.679 -0.187 7.237 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.883 0.963 5.046 1.00 0.00 H new ATOM 0 HE3 LYS B 9 12.138 1.081 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.106 3.128 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.132 2.427 6.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.822 2.313 7.060 1.00 0.00 H new ATOM 694 N VAL B 10 11.284 -2.614 1.917 1.00 0.00 N ATOM 695 CA VAL B 10 10.752 -2.427 0.565 1.00 0.00 C ATOM 696 C VAL B 10 9.838 -3.596 0.234 1.00 0.00 C ATOM 697 O VAL B 10 8.835 -3.463 -0.468 1.00 0.00 O ATOM 698 CB VAL B 10 11.882 -2.311 -0.495 1.00 0.00 C ATOM 699 CG1 VAL B 10 12.647 -3.614 -0.650 1.00 0.00 C ATOM 700 CG2 VAL B 10 11.324 -1.865 -1.837 1.00 0.00 C ATOM 0 H VAL B 10 12.302 -2.642 1.966 1.00 0.00 H new ATOM 0 HA VAL B 10 10.195 -1.491 0.539 1.00 0.00 H new ATOM 0 HB VAL B 10 12.581 -1.555 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL B 10 13.428 -3.490 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL B 10 13.100 -3.886 0.304 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.963 -4.402 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL B 10 12.135 -1.791 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL B 10 10.590 -2.592 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL B 10 10.846 -0.891 -1.727 1.00 0.00 H new ATOM 710 N GLU B 11 10.191 -4.736 0.803 1.00 0.00 N ATOM 711 CA GLU B 11 9.418 -5.958 0.628 1.00 0.00 C ATOM 712 C GLU B 11 8.177 -5.978 1.527 1.00 0.00 C ATOM 713 O GLU B 11 7.068 -6.206 1.043 1.00 0.00 O ATOM 714 CB GLU B 11 10.289 -7.183 0.906 1.00 0.00 C ATOM 715 CG GLU B 11 9.591 -8.499 0.606 1.00 0.00 C ATOM 716 CD GLU B 11 10.483 -9.696 0.838 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.451 -10.260 1.950 1.00 0.00 O ATOM 718 OE2 GLU B 11 11.216 -10.085 -0.095 1.00 0.00 O ATOM 0 H GLU B 11 11.015 -4.843 1.395 1.00 0.00 H new ATOM 0 HA GLU B 11 9.079 -5.987 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.198 -7.117 0.307 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.595 -7.172 1.952 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.703 -8.586 1.232 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.252 -8.498 -0.430 1.00 0.00 H new ATOM 725 N GLU B 12 8.360 -5.741 2.832 1.00 0.00 N ATOM 726 CA GLU B 12 7.247 -5.780 3.785 1.00 0.00 C ATOM 727 C GLU B 12 6.144 -4.802 3.386 1.00 0.00 C ATOM 728 O GLU B 12 4.970 -5.170 3.280 1.00 0.00 O ATOM 729 CB GLU B 12 7.746 -5.450 5.194 1.00 0.00 C ATOM 730 CG GLU B 12 6.642 -5.423 6.239 1.00 0.00 C ATOM 731 CD GLU B 12 7.144 -5.038 7.614 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.419 -5.947 8.422 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.262 -3.826 7.895 1.00 0.00 O ATOM 0 H GLU B 12 9.264 -5.521 3.249 1.00 0.00 H new ATOM 0 HA GLU B 12 6.832 -6.788 3.775 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.495 -6.186 5.487 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.243 -4.480 5.177 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.871 -4.718 5.928 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.173 -6.406 6.291 1.00 0.00 H new ATOM 740 N LEU B 13 6.540 -3.555 3.183 1.00 0.00 N ATOM 741 CA LEU B 13 5.633 -2.501 2.742 1.00 0.00 C ATOM 742 C LEU B 13 4.864 -2.909 1.489 1.00 0.00 C ATOM 743 O LEU B 13 3.656 -2.721 1.416 1.00 0.00 O ATOM 744 CB LEU B 13 6.408 -1.210 2.468 1.00 0.00 C ATOM 745 CG LEU B 13 7.197 -0.656 3.656 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.960 0.591 3.248 1.00 0.00 C ATOM 747 CD2 LEU B 13 6.272 -0.353 4.822 1.00 0.00 C ATOM 0 H LEU B 13 7.501 -3.242 3.319 1.00 0.00 H new ATOM 0 HA LEU B 13 4.915 -2.333 3.545 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.100 -1.389 1.645 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.705 -0.448 2.133 1.00 0.00 H new ATOM 0 HG LEU B 13 7.912 -1.414 3.975 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.516 0.973 4.104 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.654 0.346 2.444 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.258 1.350 2.903 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.854 0.040 5.656 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.531 0.386 4.516 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.766 -1.267 5.132 1.00 0.00 H new ATOM 759 N LEU B 14 5.570 -3.461 0.507 1.00 0.00 N ATOM 760 CA LEU B 14 4.948 -3.897 -0.738 1.00 0.00 C ATOM 761 C LEU B 14 3.964 -5.035 -0.484 1.00 0.00 C ATOM 762 O LEU B 14 2.883 -5.067 -1.071 1.00 0.00 O ATOM 763 CB LEU B 14 6.015 -4.329 -1.754 1.00 0.00 C ATOM 764 CG LEU B 14 5.482 -4.834 -3.098 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.718 -3.740 -3.829 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.626 -5.348 -3.958 1.00 0.00 C ATOM 0 H LEU B 14 6.577 -3.617 0.550 1.00 0.00 H new ATOM 0 HA LEU B 14 4.396 -3.054 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.677 -3.483 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.621 -5.116 -1.305 1.00 0.00 H new ATOM 0 HG LEU B 14 4.791 -5.655 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.351 -4.126 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.875 -3.415 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.380 -2.894 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.234 -5.704 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.337 -4.542 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.128 -6.167 -3.444 1.00 0.00 H new ATOM 778 N SER B 15 4.339 -5.962 0.395 1.00 0.00 N ATOM 779 CA SER B 15 3.461 -7.060 0.761 1.00 0.00 C ATOM 780 C SER B 15 2.145 -6.524 1.331 1.00 0.00 C ATOM 781 O SER B 15 1.059 -6.967 0.941 1.00 0.00 O ATOM 782 CB SER B 15 4.159 -7.972 1.777 1.00 0.00 C ATOM 783 OG SER B 15 3.401 -9.144 2.028 1.00 0.00 O ATOM 0 H SER B 15 5.245 -5.971 0.864 1.00 0.00 H new ATOM 0 HA SER B 15 3.233 -7.643 -0.132 1.00 0.00 H new ATOM 0 HB2 SER B 15 5.145 -8.248 1.403 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.312 -7.429 2.710 1.00 0.00 H new ATOM 0 HG SER B 15 3.873 -9.706 2.678 1.00 0.00 H new ATOM 789 N LYS B 16 2.236 -5.551 2.234 1.00 0.00 N ATOM 790 CA LYS B 16 1.037 -4.971 2.818 1.00 0.00 C ATOM 791 C LYS B 16 0.323 -4.099 1.791 1.00 0.00 C ATOM 792 O LYS B 16 -0.897 -4.128 1.699 1.00 0.00 O ATOM 793 CB LYS B 16 1.354 -4.149 4.074 1.00 0.00 C ATOM 794 CG LYS B 16 0.158 -3.999 5.011 1.00 0.00 C ATOM 795 CD LYS B 16 0.394 -2.959 6.097 1.00 0.00 C ATOM 796 CE LYS B 16 0.184 -1.545 5.578 1.00 0.00 C ATOM 797 NZ LYS B 16 0.278 -0.535 6.664 1.00 0.00 N ATOM 0 H LYS B 16 3.114 -5.155 2.571 1.00 0.00 H new ATOM 0 HA LYS B 16 0.385 -5.792 3.115 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.173 -4.624 4.614 1.00 0.00 H new ATOM 0 HB3 LYS B 16 1.700 -3.159 3.775 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -0.721 -3.720 4.430 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.059 -4.961 5.475 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.282 -3.144 6.931 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.409 -3.058 6.481 1.00 0.00 H new ATOM 0 HE2 LYS B 16 0.928 -1.325 4.813 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.794 -1.475 5.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.671 -0.170 6.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.683 -0.976 7.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 0.888 0.249 6.357 1.00 0.00 H new ATOM 811 N ASN B 17 1.091 -3.340 1.012 1.00 0.00 N ATOM 812 CA ASN B 17 0.533 -2.497 -0.048 1.00 0.00 C ATOM 813 C ASN B 17 -0.366 -3.329 -0.960 1.00 0.00 C ATOM 814 O ASN B 17 -1.485 -2.930 -1.286 1.00 0.00 O ATOM 815 CB ASN B 17 1.671 -1.854 -0.854 1.00 0.00 C ATOM 816 CG ASN B 17 1.206 -0.772 -1.823 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.072 -0.775 -2.293 1.00 0.00 O ATOM 818 ND2 ASN B 17 2.096 0.158 -2.148 1.00 0.00 N ATOM 0 H ASN B 17 2.106 -3.290 1.094 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.068 -1.706 0.401 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.394 -1.422 -0.162 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.191 -2.631 -1.414 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.845 0.897 -2.805 1.00 0.00 H new ATOM 0 HD22 ASN B 17 3.031 0.134 -1.741 1.00 0.00 H new ATOM 825 N TYR B 18 0.132 -4.501 -1.350 1.00 0.00 N ATOM 826 CA TYR B 18 -0.618 -5.442 -2.150 1.00 0.00 C ATOM 827 C TYR B 18 -1.959 -5.782 -1.497 1.00 0.00 C ATOM 828 O TYR B 18 -2.973 -5.935 -2.183 1.00 0.00 O ATOM 829 CB TYR B 18 0.215 -6.706 -2.320 1.00 0.00 C ATOM 830 CG TYR B 18 -0.293 -7.604 -3.402 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.008 -8.753 -3.105 1.00 0.00 C ATOM 832 CD2 TYR B 18 -0.064 -7.293 -4.726 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.480 -9.568 -4.109 1.00 0.00 C ATOM 834 CE2 TYR B 18 -0.527 -8.097 -5.733 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.237 -9.238 -5.426 1.00 0.00 C ATOM 836 OH TYR B 18 -1.709 -10.045 -6.438 1.00 0.00 O ATOM 0 H TYR B 18 1.073 -4.817 -1.114 1.00 0.00 H new ATOM 0 HA TYR B 18 -0.830 -4.994 -3.121 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.245 -6.428 -2.541 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.228 -7.254 -1.378 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.197 -9.012 -2.074 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.490 -6.400 -4.973 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.037 -10.461 -3.867 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.337 -7.838 -6.764 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.451 -9.667 -7.305 1.00 0.00 H new ATOM 846 N HIS B 19 -1.955 -5.896 -0.173 1.00 0.00 N ATOM 847 CA HIS B 19 -3.170 -6.214 0.572 1.00 0.00 C ATOM 848 C HIS B 19 -4.208 -5.114 0.416 1.00 0.00 C ATOM 849 O HIS B 19 -5.307 -5.359 -0.081 1.00 0.00 O ATOM 850 CB HIS B 19 -2.874 -6.420 2.061 1.00 0.00 C ATOM 851 CG HIS B 19 -2.010 -7.609 2.346 1.00 0.00 C ATOM 852 ND1 HIS B 19 -1.304 -7.763 3.518 1.00 0.00 N ATOM 853 CD2 HIS B 19 -1.744 -8.707 1.602 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.639 -8.903 3.478 1.00 0.00 C ATOM 855 NE2 HIS B 19 -0.890 -9.494 2.329 1.00 0.00 N ATOM 0 H HIS B 19 -1.125 -5.773 0.407 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.564 -7.142 0.159 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.387 -5.527 2.452 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.816 -6.530 2.597 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -2.133 -8.923 0.618 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.003 -9.286 4.257 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.510 -10.392 2.029 1.00 0.00 H new ATOM 864 N LEU B 20 -3.838 -3.901 0.808 1.00 0.00 N ATOM 865 CA LEU B 20 -4.778 -2.783 0.820 1.00 0.00 C ATOM 866 C LEU B 20 -5.280 -2.483 -0.585 1.00 0.00 C ATOM 867 O LEU B 20 -6.459 -2.196 -0.776 1.00 0.00 O ATOM 868 CB LEU B 20 -4.167 -1.514 1.445 1.00 0.00 C ATOM 869 CG LEU B 20 -3.872 -1.565 2.957 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.125 -1.904 3.744 1.00 0.00 C ATOM 871 CD2 LEU B 20 -2.770 -2.549 3.286 1.00 0.00 C ATOM 0 H LEU B 20 -2.896 -3.665 1.121 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.620 -3.086 1.443 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.236 -1.291 0.923 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.845 -0.681 1.258 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.531 -0.571 3.247 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -4.890 -1.934 4.808 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.886 -1.145 3.562 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -5.501 -2.877 3.428 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.595 -2.553 4.362 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -3.065 -3.547 2.963 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -1.855 -2.257 2.770 1.00 0.00 H new ATOM 883 N GLU B 21 -4.391 -2.586 -1.568 1.00 0.00 N ATOM 884 CA GLU B 21 -4.748 -2.327 -2.958 1.00 0.00 C ATOM 885 C GLU B 21 -5.893 -3.240 -3.406 1.00 0.00 C ATOM 886 O GLU B 21 -6.846 -2.794 -4.048 1.00 0.00 O ATOM 887 CB GLU B 21 -3.525 -2.525 -3.859 1.00 0.00 C ATOM 888 CG GLU B 21 -3.762 -2.169 -5.318 1.00 0.00 C ATOM 889 CD GLU B 21 -3.851 -0.680 -5.576 1.00 0.00 C ATOM 890 OE1 GLU B 21 -2.805 -0.001 -5.553 1.00 0.00 O ATOM 891 OE2 GLU B 21 -4.966 -0.186 -5.842 1.00 0.00 O ATOM 0 H GLU B 21 -3.415 -2.848 -1.427 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.086 -1.294 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.704 -1.918 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.207 -3.566 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -2.954 -2.585 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.685 -2.642 -5.653 1.00 0.00 H new ATOM 898 N ASN B 22 -5.810 -4.512 -3.037 1.00 0.00 N ATOM 899 CA ASN B 22 -6.825 -5.483 -3.432 1.00 0.00 C ATOM 900 C ASN B 22 -8.068 -5.378 -2.557 1.00 0.00 C ATOM 901 O ASN B 22 -9.178 -5.678 -3.003 1.00 0.00 O ATOM 902 CB ASN B 22 -6.267 -6.908 -3.388 1.00 0.00 C ATOM 903 CG ASN B 22 -5.404 -7.230 -4.593 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.904 -7.681 -5.622 1.00 0.00 O ATOM 905 ND2 ASN B 22 -4.105 -7.013 -4.478 1.00 0.00 N ATOM 0 H ASN B 22 -5.055 -4.895 -2.468 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.112 -5.252 -4.458 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -5.679 -7.037 -2.479 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.093 -7.617 -3.337 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -3.482 -7.221 -5.259 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -3.726 -6.638 -3.609 1.00 0.00 H new ATOM 912 N GLU B 23 -7.886 -4.948 -1.315 1.00 0.00 N ATOM 913 CA GLU B 23 -9.009 -4.790 -0.399 1.00 0.00 C ATOM 914 C GLU B 23 -9.857 -3.585 -0.787 1.00 0.00 C ATOM 915 O GLU B 23 -11.080 -3.607 -0.634 1.00 0.00 O ATOM 916 CB GLU B 23 -8.522 -4.671 1.048 1.00 0.00 C ATOM 917 CG GLU B 23 -7.915 -5.960 1.577 1.00 0.00 C ATOM 918 CD GLU B 23 -7.524 -5.874 3.036 1.00 0.00 C ATOM 919 OE1 GLU B 23 -6.314 -5.785 3.328 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.425 -5.912 3.899 1.00 0.00 O ATOM 0 H GLU B 23 -6.978 -4.704 -0.920 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.632 -5.681 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.781 -3.874 1.112 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.358 -4.381 1.685 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.630 -6.772 1.445 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.035 -6.211 0.985 1.00 0.00 H new ATOM 927 N VAL B 24 -9.205 -2.540 -1.297 1.00 0.00 N ATOM 928 CA VAL B 24 -9.915 -1.385 -1.832 1.00 0.00 C ATOM 929 C VAL B 24 -10.861 -1.831 -2.943 1.00 0.00 C ATOM 930 O VAL B 24 -12.053 -1.532 -2.915 1.00 0.00 O ATOM 931 CB VAL B 24 -8.949 -0.308 -2.388 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.711 0.780 -3.131 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.133 0.313 -1.268 1.00 0.00 C ATOM 0 H VAL B 24 -8.189 -2.472 -1.350 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.475 -0.940 -1.010 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.274 -0.801 -3.088 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -9.008 1.522 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.257 0.338 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.414 1.261 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.462 1.066 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.803 0.781 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.548 -0.461 -0.772 1.00 0.00 H new ATOM 943 N ALA B 25 -10.316 -2.580 -3.900 1.00 0.00 N ATOM 944 CA ALA B 25 -11.085 -3.076 -5.038 1.00 0.00 C ATOM 945 C ALA B 25 -12.323 -3.854 -4.592 1.00 0.00 C ATOM 946 O ALA B 25 -13.408 -3.678 -5.146 1.00 0.00 O ATOM 947 CB ALA B 25 -10.208 -3.946 -5.925 1.00 0.00 C ATOM 0 H ALA B 25 -9.335 -2.858 -3.908 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.427 -2.211 -5.607 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.793 -4.310 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.366 -3.359 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.836 -4.794 -5.350 1.00 0.00 H new ATOM 953 N ARG B 26 -12.158 -4.703 -3.585 1.00 0.00 N ATOM 954 CA ARG B 26 -13.263 -5.498 -3.059 1.00 0.00 C ATOM 955 C ARG B 26 -14.366 -4.593 -2.530 1.00 0.00 C ATOM 956 O ARG B 26 -15.527 -4.719 -2.917 1.00 0.00 O ATOM 957 CB ARG B 26 -12.773 -6.430 -1.946 1.00 0.00 C ATOM 958 CG ARG B 26 -13.879 -7.263 -1.316 1.00 0.00 C ATOM 959 CD ARG B 26 -13.338 -8.185 -0.237 1.00 0.00 C ATOM 960 NE ARG B 26 -14.404 -8.935 0.428 1.00 0.00 N ATOM 961 CZ ARG B 26 -14.210 -9.745 1.469 1.00 0.00 C ATOM 962 NH1 ARG B 26 -12.989 -9.945 1.944 1.00 0.00 N ATOM 963 NH2 ARG B 26 -15.239 -10.367 2.025 1.00 0.00 N ATOM 0 H ARG B 26 -11.267 -4.860 -3.114 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.664 -6.103 -3.872 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.013 -7.098 -2.352 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.292 -5.834 -1.170 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -14.633 -6.603 -0.887 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.374 -7.854 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.626 -8.882 -0.679 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.793 -7.598 0.502 1.00 0.00 H new ATOM 0 HE ARG B 26 -15.355 -8.832 0.073 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -12.191 -9.478 1.513 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -12.847 -10.566 2.741 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -16.180 -10.226 1.657 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -15.091 -10.987 2.821 1.00 0.00 H new ATOM 977 N LEU B 27 -13.989 -3.665 -1.660 1.00 0.00 N ATOM 978 CA LEU B 27 -14.948 -2.748 -1.056 1.00 0.00 C ATOM 979 C LEU B 27 -15.588 -1.830 -2.104 1.00 0.00 C ATOM 980 O LEU B 27 -16.696 -1.335 -1.901 1.00 0.00 O ATOM 981 CB LEU B 27 -14.266 -1.927 0.043 1.00 0.00 C ATOM 982 CG LEU B 27 -13.653 -2.750 1.175 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.867 -1.855 2.113 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.731 -3.506 1.939 1.00 0.00 C ATOM 0 H LEU B 27 -13.025 -3.527 -1.356 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.749 -3.339 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.482 -1.320 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.996 -1.239 0.468 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.971 -3.479 0.737 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.437 -2.456 2.914 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.068 -1.361 1.560 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.531 -1.103 2.540 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.271 -4.085 2.740 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.440 -2.797 2.365 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.254 -4.179 1.260 1.00 0.00 H new ATOM 996 N LYS B 28 -14.906 -1.629 -3.232 1.00 0.00 N ATOM 997 CA LYS B 28 -15.434 -0.803 -4.308 1.00 0.00 C ATOM 998 C LYS B 28 -16.682 -1.441 -4.893 1.00 0.00 C ATOM 999 O LYS B 28 -17.725 -0.795 -5.006 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.398 -0.617 -5.422 1.00 0.00 C ATOM 1001 CG LYS B 28 -13.242 0.304 -5.068 1.00 0.00 C ATOM 1002 CD LYS B 28 -13.686 1.751 -4.960 1.00 0.00 C ATOM 1003 CE LYS B 28 -12.491 2.675 -4.803 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.890 4.105 -4.740 1.00 0.00 N ATOM 0 H LYS B 28 -13.987 -2.029 -3.420 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.678 0.173 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.997 -1.594 -5.693 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.901 -0.223 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.802 -0.012 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.464 0.218 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.251 2.029 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.355 1.867 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.947 2.411 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.807 2.527 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.042 4.698 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.386 4.366 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.521 4.254 -3.927 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.573 -2.718 -5.257 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.706 -3.446 -5.828 1.00 0.00 C ATOM 1020 C LYS B 29 -18.844 -3.560 -4.815 1.00 0.00 C ATOM 1021 O LYS B 29 -20.011 -3.674 -5.192 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.285 -4.855 -6.297 1.00 0.00 C ATOM 1023 CG LYS B 29 -16.482 -4.915 -7.604 1.00 0.00 C ATOM 1024 CD LYS B 29 -15.221 -4.070 -7.555 1.00 0.00 C ATOM 1025 CE LYS B 29 -14.491 -4.067 -8.889 1.00 0.00 C ATOM 1026 NZ LYS B 29 -15.314 -3.464 -9.968 1.00 0.00 N ATOM 0 H LYS B 29 -15.718 -3.267 -5.168 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.055 -2.881 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.692 -5.317 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.183 -5.460 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.213 -5.950 -7.813 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.110 -4.576 -8.428 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.479 -3.047 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.558 -4.451 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.558 -3.513 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.228 -5.089 -9.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.706 -3.231 -10.779 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.045 -4.141 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.767 -2.597 -9.615 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.503 -3.523 -3.533 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.500 -3.610 -2.470 1.00 0.00 C ATOM 1042 C LEU B 30 -20.286 -2.304 -2.354 1.00 0.00 C ATOM 1043 O LEU B 30 -21.517 -2.312 -2.373 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.831 -3.951 -1.125 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.588 -5.444 -0.817 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.214 -6.226 -2.068 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -17.488 -5.582 0.222 1.00 0.00 C ATOM 0 H LEU B 30 -17.542 -3.433 -3.202 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.196 -4.409 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -17.871 -3.437 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.447 -3.537 -0.327 1.00 0.00 H new ATOM 0 HG LEU B 30 -19.519 -5.859 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -18.051 -7.272 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -19.021 -6.154 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -17.301 -5.812 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -17.320 -6.637 0.436 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -16.569 -5.139 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -17.785 -5.069 1.137 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.576 -1.184 -2.239 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.223 0.129 -2.195 1.00 0.00 C ATOM 1061 C VAL B 31 -20.925 0.460 -3.517 1.00 0.00 C ATOM 1062 O VAL B 31 -21.949 1.143 -3.533 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.206 1.255 -1.887 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -19.901 2.606 -1.770 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -18.424 0.950 -0.623 1.00 0.00 C ATOM 0 H VAL B 31 -18.558 -1.157 -2.175 1.00 0.00 H new ATOM 0 HA VAL B 31 -20.962 0.075 -1.395 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.505 1.304 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.162 3.378 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -20.404 2.839 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -20.634 2.569 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -17.717 1.756 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.112 0.861 0.218 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -17.881 0.013 -0.748 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.386 -0.050 -4.618 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.905 0.293 -5.923 1.00 0.00 C ATOM 1077 C GLY B 32 -20.176 1.487 -6.493 1.00 0.00 C ATOM 1078 O GLY B 32 -20.764 2.333 -7.166 1.00 0.00 O ATOM 0 H GLY B 32 -19.597 -0.696 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -20.801 -0.558 -6.596 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.970 0.512 -5.850 1.00 0.00 H new ATOM 1082 N GLU B 33 -18.884 1.549 -6.206 1.00 0.00 N ATOM 1083 CA GLU B 33 -18.065 2.683 -6.589 1.00 0.00 C ATOM 1084 C GLU B 33 -17.169 2.309 -7.762 1.00 0.00 C ATOM 1085 O GLU B 33 -16.176 1.585 -7.550 1.00 0.00 O ATOM 1086 CB GLU B 33 -17.231 3.147 -5.387 1.00 0.00 C ATOM 1087 CG GLU B 33 -16.513 4.469 -5.603 1.00 0.00 C ATOM 1088 CD GLU B 33 -17.452 5.576 -6.033 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -18.307 5.992 -5.225 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -17.333 6.040 -7.187 1.00 0.00 O ATOM 1091 OXT GLU B 33 -17.466 2.736 -8.898 1.00 0.00 O ATOM 0 H GLU B 33 -18.379 0.818 -5.704 1.00 0.00 H new ATOM 0 HA GLU B 33 -18.708 3.505 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -17.884 3.238 -4.519 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -16.494 2.379 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -16.011 4.761 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -15.739 4.339 -6.360 1.00 0.00 H new TER 1098 GLU B 33