USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 LYS NZ :NH3+ -148:sc= 0.413 (180deg=-0.448) USER MOD Set 1.2: B 17 ASN : amide:sc= -2.21! C(o=-1.8!,f=-7.1!) USER MOD Set 2.1: A 17 ASN : amide:sc= -2.24! C(o=-1.8!,f=-7.5!) USER MOD Set 2.2: B 16 LYS NZ :NH3+ -147:sc= 0.482 (180deg=-0.429) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.053 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= 0.184 USER MOD Single : A 3 MET CE :methyl -177:sc= 0 (180deg=-0.0279) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -0.0393 (180deg=-0.299) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -10:sc= 1.21 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= 0.968 F(o=0,f=0.97) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.0433 (180deg=-0.298) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0336) USER MOD Single : B 1 GLY N :NH3+ -140:sc= 0.0543 (180deg=0) USER MOD Single : B 2 SER OG : rot 170:sc= 0.188 USER MOD Single : B 3 MET CE :methyl -176:sc= 0 (180deg=-0.0318) USER MOD Single : B 4 LYS NZ :NH3+ -165:sc= -0.0414 (180deg=-0.296) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot -8:sc= 1.21 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN :FLIP amide:sc= 0.998 F(o=0,f=1) USER MOD Single : B 28 LYS NZ :NH3+ 164:sc= -0.0413 (180deg=-0.292) USER MOD Single : B 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.695 -4.014 -4.987 1.00 0.00 N ATOM 2 CA GLY A 1 21.553 -3.024 -4.297 1.00 0.00 C ATOM 3 C GLY A 1 21.066 -1.611 -4.517 1.00 0.00 C ATOM 4 O GLY A 1 19.871 -1.395 -4.710 1.00 0.00 O ATOM 0 H1 GLY A 1 20.594 -4.861 -4.392 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.757 -3.599 -5.161 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.130 -4.278 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.571 -3.240 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.577 -3.116 -4.658 1.00 0.00 H new ATOM 10 N SER A 2 21.998 -0.657 -4.498 1.00 0.00 N ATOM 11 CA SER A 2 21.685 0.759 -4.669 1.00 0.00 C ATOM 12 C SER A 2 20.774 1.265 -3.552 1.00 0.00 C ATOM 13 O SER A 2 19.552 1.099 -3.594 1.00 0.00 O ATOM 14 CB SER A 2 21.051 1.015 -6.039 1.00 0.00 C ATOM 15 OG SER A 2 20.770 2.393 -6.226 1.00 0.00 O ATOM 0 H SER A 2 22.991 -0.846 -4.363 1.00 0.00 H new ATOM 0 HA SER A 2 22.622 1.314 -4.614 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.723 0.669 -6.824 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.131 0.438 -6.130 1.00 0.00 H new ATOM 0 HG SER A 2 20.518 2.552 -7.160 1.00 0.00 H new ATOM 21 N MET A 3 21.381 1.890 -2.549 1.00 0.00 N ATOM 22 CA MET A 3 20.631 2.431 -1.424 1.00 0.00 C ATOM 23 C MET A 3 19.682 3.527 -1.887 1.00 0.00 C ATOM 24 O MET A 3 18.619 3.716 -1.307 1.00 0.00 O ATOM 25 CB MET A 3 21.574 2.985 -0.352 1.00 0.00 C ATOM 26 CG MET A 3 22.404 1.919 0.341 1.00 0.00 C ATOM 27 SD MET A 3 23.435 2.595 1.653 1.00 0.00 S ATOM 28 CE MET A 3 24.260 1.117 2.232 1.00 0.00 C ATOM 0 H MET A 3 22.389 2.034 -2.493 1.00 0.00 H new ATOM 0 HA MET A 3 20.049 1.617 -0.992 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.243 3.713 -0.811 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.987 3.518 0.395 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.741 1.161 0.758 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.036 1.420 -0.394 1.00 0.00 H new ATOM 0 HE1 MET A 3 24.895 1.364 3.083 1.00 0.00 H new ATOM 0 HE2 MET A 3 23.516 0.381 2.536 1.00 0.00 H new ATOM 0 HE3 MET A 3 24.872 0.704 1.430 1.00 0.00 H new ATOM 38 N LYS A 4 20.076 4.241 -2.935 1.00 0.00 N ATOM 39 CA LYS A 4 19.244 5.298 -3.498 1.00 0.00 C ATOM 40 C LYS A 4 17.992 4.709 -4.142 1.00 0.00 C ATOM 41 O LYS A 4 16.876 5.156 -3.873 1.00 0.00 O ATOM 42 CB LYS A 4 20.039 6.111 -4.523 1.00 0.00 C ATOM 43 CG LYS A 4 19.251 7.260 -5.136 1.00 0.00 C ATOM 44 CD LYS A 4 20.110 8.101 -6.069 1.00 0.00 C ATOM 45 CE LYS A 4 21.203 8.851 -5.316 1.00 0.00 C ATOM 46 NZ LYS A 4 20.644 9.789 -4.307 1.00 0.00 N ATOM 0 H LYS A 4 20.967 4.107 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 4 18.935 5.962 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.933 6.510 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.375 5.447 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.398 6.863 -5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.852 7.891 -4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.565 7.457 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.479 8.815 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.858 8.135 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.816 9.406 -6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.385 10.452 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.855 10.320 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.301 9.251 -3.485 1.00 0.00 H new ATOM 60 N GLN A 5 18.184 3.692 -4.981 1.00 0.00 N ATOM 61 CA GLN A 5 17.073 3.017 -5.642 1.00 0.00 C ATOM 62 C GLN A 5 16.097 2.460 -4.614 1.00 0.00 C ATOM 63 O GLN A 5 14.879 2.615 -4.746 1.00 0.00 O ATOM 64 CB GLN A 5 17.593 1.883 -6.527 1.00 0.00 C ATOM 65 CG GLN A 5 16.495 1.098 -7.225 1.00 0.00 C ATOM 66 CD GLN A 5 17.033 -0.080 -8.008 1.00 0.00 C ATOM 67 OE1 GLN A 5 17.351 0.037 -9.191 1.00 0.00 O ATOM 68 NE2 GLN A 5 17.136 -1.225 -7.355 1.00 0.00 N ATOM 0 H GLN A 5 19.103 3.318 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 5 16.552 3.745 -6.263 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.263 2.299 -7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.184 1.200 -5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 5 15.780 0.741 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 5 15.951 1.760 -7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.861 -1.279 -6.374 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.490 -2.054 -7.832 1.00 0.00 H new ATOM 77 N LEU A 6 16.640 1.830 -3.584 1.00 0.00 N ATOM 78 CA LEU A 6 15.822 1.220 -2.543 1.00 0.00 C ATOM 79 C LEU A 6 15.150 2.289 -1.685 1.00 0.00 C ATOM 80 O LEU A 6 14.047 2.086 -1.187 1.00 0.00 O ATOM 81 CB LEU A 6 16.657 0.279 -1.664 1.00 0.00 C ATOM 82 CG LEU A 6 17.246 -0.943 -2.382 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.122 -1.745 -1.436 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.138 -1.822 -2.946 1.00 0.00 C ATOM 0 H LEU A 6 17.645 1.727 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 6 15.047 0.631 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.475 0.850 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.034 -0.070 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 6 17.860 -0.588 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.531 -2.608 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.938 -1.118 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.526 -2.086 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.577 -2.682 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.497 -2.166 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.545 -1.248 -3.658 1.00 0.00 H new ATOM 96 N GLU A 7 15.808 3.433 -1.536 1.00 0.00 N ATOM 97 CA GLU A 7 15.261 4.537 -0.769 1.00 0.00 C ATOM 98 C GLU A 7 14.010 5.081 -1.452 1.00 0.00 C ATOM 99 O GLU A 7 12.972 5.271 -0.816 1.00 0.00 O ATOM 100 CB GLU A 7 16.308 5.641 -0.629 1.00 0.00 C ATOM 101 CG GLU A 7 15.895 6.749 0.313 1.00 0.00 C ATOM 102 CD GLU A 7 15.858 6.299 1.758 1.00 0.00 C ATOM 103 OE1 GLU A 7 16.937 6.212 2.385 1.00 0.00 O ATOM 104 OE2 GLU A 7 14.754 6.042 2.280 1.00 0.00 O ATOM 0 H GLU A 7 16.726 3.617 -1.940 1.00 0.00 H new ATOM 0 HA GLU A 7 14.989 4.179 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.241 5.203 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.509 6.067 -1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.589 7.583 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.910 7.118 0.025 1.00 0.00 H new ATOM 111 N ASP A 8 14.113 5.321 -2.758 1.00 0.00 N ATOM 112 CA ASP A 8 12.970 5.775 -3.547 1.00 0.00 C ATOM 113 C ASP A 8 11.890 4.701 -3.585 1.00 0.00 C ATOM 114 O ASP A 8 10.698 5.001 -3.639 1.00 0.00 O ATOM 115 CB ASP A 8 13.394 6.139 -4.973 1.00 0.00 C ATOM 116 CG ASP A 8 14.125 7.464 -5.051 1.00 0.00 C ATOM 117 OD1 ASP A 8 13.455 8.513 -5.134 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.373 7.467 -5.050 1.00 0.00 O ATOM 0 H ASP A 8 14.975 5.209 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 8 12.568 6.668 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.036 5.352 -5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.511 6.179 -5.610 1.00 0.00 H new ATOM 123 N LYS A 9 12.328 3.449 -3.565 1.00 0.00 N ATOM 124 CA LYS A 9 11.409 2.299 -3.500 1.00 0.00 C ATOM 125 C LYS A 9 10.564 2.347 -2.233 1.00 0.00 C ATOM 126 O LYS A 9 9.334 2.294 -2.291 1.00 0.00 O ATOM 127 CB LYS A 9 12.169 0.973 -3.504 1.00 0.00 C ATOM 128 CG LYS A 9 11.367 -0.178 -4.081 1.00 0.00 C ATOM 129 CD LYS A 9 11.071 0.030 -5.553 1.00 0.00 C ATOM 130 CE LYS A 9 10.303 -1.140 -6.136 1.00 0.00 C ATOM 131 NZ LYS A 9 9.971 -0.921 -7.566 1.00 0.00 N ATOM 0 H LYS A 9 13.315 3.194 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 9 10.772 2.362 -4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.087 1.091 -4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.461 0.727 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.918 -1.109 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.431 -0.281 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.495 0.946 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.006 0.161 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.894 -2.050 -6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.385 -1.292 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.446 -1.742 -7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.386 -0.066 -7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.848 -0.801 -8.112 1.00 0.00 H new ATOM 145 N VAL A 10 11.248 2.441 -1.096 1.00 0.00 N ATOM 146 CA VAL A 10 10.601 2.511 0.210 1.00 0.00 C ATOM 147 C VAL A 10 9.662 3.700 0.225 1.00 0.00 C ATOM 148 O VAL A 10 8.557 3.647 0.758 1.00 0.00 O ATOM 149 CB VAL A 10 11.639 2.662 1.347 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.951 2.886 2.685 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.537 1.438 1.411 1.00 0.00 C ATOM 0 H VAL A 10 12.267 2.471 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 10 10.052 1.584 0.377 1.00 0.00 H new ATOM 0 HB VAL A 10 12.254 3.536 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.702 2.989 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.350 3.794 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.307 2.036 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.262 1.560 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.931 0.552 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.063 1.323 0.463 1.00 0.00 H new ATOM 161 N GLU A 11 10.122 4.757 -0.421 1.00 0.00 N ATOM 162 CA GLU A 11 9.369 5.998 -0.537 1.00 0.00 C ATOM 163 C GLU A 11 8.059 5.784 -1.298 1.00 0.00 C ATOM 164 O GLU A 11 6.986 6.166 -0.822 1.00 0.00 O ATOM 165 CB GLU A 11 10.224 7.049 -1.246 1.00 0.00 C ATOM 166 CG GLU A 11 9.539 8.390 -1.427 1.00 0.00 C ATOM 167 CD GLU A 11 10.392 9.369 -2.200 1.00 0.00 C ATOM 168 OE1 GLU A 11 11.241 10.042 -1.582 1.00 0.00 O ATOM 169 OE2 GLU A 11 10.218 9.472 -3.430 1.00 0.00 O ATOM 0 H GLU A 11 11.031 4.781 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 11 9.119 6.345 0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.143 7.197 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.512 6.666 -2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.593 8.245 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.303 8.810 -0.449 1.00 0.00 H new ATOM 176 N GLU A 12 8.153 5.164 -2.473 1.00 0.00 N ATOM 177 CA GLU A 12 6.986 4.943 -3.328 1.00 0.00 C ATOM 178 C GLU A 12 5.929 4.095 -2.612 1.00 0.00 C ATOM 179 O GLU A 12 4.839 4.575 -2.292 1.00 0.00 O ATOM 180 CB GLU A 12 7.430 4.266 -4.631 1.00 0.00 C ATOM 181 CG GLU A 12 6.300 3.967 -5.604 1.00 0.00 C ATOM 182 CD GLU A 12 5.548 5.207 -6.038 1.00 0.00 C ATOM 183 OE1 GLU A 12 6.149 6.071 -6.711 1.00 0.00 O ATOM 184 OE2 GLU A 12 4.343 5.309 -5.731 1.00 0.00 O ATOM 0 H GLU A 12 9.027 4.805 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 12 6.532 5.907 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.160 4.906 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.938 3.333 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.708 3.470 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.603 3.270 -5.139 1.00 0.00 H new ATOM 191 N LEU A 13 6.269 2.841 -2.362 1.00 0.00 N ATOM 192 CA LEU A 13 5.385 1.889 -1.686 1.00 0.00 C ATOM 193 C LEU A 13 4.773 2.446 -0.393 1.00 0.00 C ATOM 194 O LEU A 13 3.615 2.175 -0.096 1.00 0.00 O ATOM 195 CB LEU A 13 6.152 0.603 -1.379 1.00 0.00 C ATOM 196 CG LEU A 13 6.664 -0.156 -2.606 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.544 -1.317 -2.180 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.499 -0.653 -3.450 1.00 0.00 C ATOM 0 H LEU A 13 7.173 2.446 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 13 4.558 1.688 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.002 0.848 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.504 -0.060 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 13 7.260 0.527 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.900 -1.847 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.396 -0.939 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.968 -2.000 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.882 -1.190 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.877 -1.322 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.903 0.196 -3.783 1.00 0.00 H new ATOM 210 N LEU A 14 5.544 3.208 0.373 1.00 0.00 N ATOM 211 CA LEU A 14 5.058 3.777 1.626 1.00 0.00 C ATOM 212 C LEU A 14 3.918 4.767 1.380 1.00 0.00 C ATOM 213 O LEU A 14 2.912 4.742 2.090 1.00 0.00 O ATOM 214 CB LEU A 14 6.198 4.454 2.397 1.00 0.00 C ATOM 215 CG LEU A 14 5.818 5.042 3.758 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.411 3.944 4.731 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.972 5.855 4.322 1.00 0.00 C ATOM 0 H LEU A 14 6.510 3.447 0.149 1.00 0.00 H new ATOM 0 HA LEU A 14 4.670 2.958 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.995 3.725 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.607 5.252 1.778 1.00 0.00 H new ATOM 0 HG LEU A 14 4.962 5.702 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.146 4.388 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.553 3.404 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.243 3.253 4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.688 6.267 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.844 5.213 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.212 6.669 3.638 1.00 0.00 H new ATOM 229 N SER A 15 4.057 5.628 0.368 1.00 0.00 N ATOM 230 CA SER A 15 2.989 6.565 0.043 1.00 0.00 C ATOM 231 C SER A 15 1.771 5.801 -0.475 1.00 0.00 C ATOM 232 O SER A 15 0.628 6.202 -0.254 1.00 0.00 O ATOM 233 CB SER A 15 3.458 7.609 -0.977 1.00 0.00 C ATOM 234 OG SER A 15 3.878 7.013 -2.194 1.00 0.00 O ATOM 0 H SER A 15 4.883 5.693 -0.227 1.00 0.00 H new ATOM 0 HA SER A 15 2.708 7.101 0.950 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.647 8.309 -1.177 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.280 8.186 -0.553 1.00 0.00 H new ATOM 0 HG SER A 15 3.930 6.041 -2.081 1.00 0.00 H new ATOM 240 N LYS A 16 2.032 4.683 -1.146 1.00 0.00 N ATOM 241 CA LYS A 16 0.974 3.787 -1.589 1.00 0.00 C ATOM 242 C LYS A 16 0.276 3.167 -0.386 1.00 0.00 C ATOM 243 O LYS A 16 -0.948 3.194 -0.289 1.00 0.00 O ATOM 244 CB LYS A 16 1.545 2.685 -2.483 1.00 0.00 C ATOM 245 CG LYS A 16 2.012 3.179 -3.842 1.00 0.00 C ATOM 246 CD LYS A 16 0.839 3.472 -4.770 1.00 0.00 C ATOM 247 CE LYS A 16 0.171 2.192 -5.255 1.00 0.00 C ATOM 248 NZ LYS A 16 1.105 1.349 -6.045 1.00 0.00 N ATOM 0 H LYS A 16 2.973 4.377 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 16 0.250 4.364 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.383 2.212 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.785 1.917 -2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.610 4.082 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.659 2.430 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.108 4.089 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.188 4.048 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.195 1.625 -4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.697 2.443 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.573 0.830 -6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.817 1.954 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.579 0.672 -5.414 1.00 0.00 H new ATOM 262 N ASN A 17 1.076 2.627 0.532 1.00 0.00 N ATOM 263 CA ASN A 17 0.563 2.008 1.753 1.00 0.00 C ATOM 264 C ASN A 17 -0.333 2.988 2.505 1.00 0.00 C ATOM 265 O ASN A 17 -1.419 2.626 2.952 1.00 0.00 O ATOM 266 CB ASN A 17 1.743 1.549 2.638 1.00 0.00 C ATOM 267 CG ASN A 17 1.360 0.812 3.936 1.00 0.00 C ATOM 268 OD1 ASN A 17 2.034 -0.144 4.319 1.00 0.00 O ATOM 269 ND2 ASN A 17 0.324 1.249 4.655 1.00 0.00 N ATOM 0 H ASN A 17 2.093 2.606 0.451 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.036 1.136 1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.383 0.895 2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.337 2.424 2.901 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.083 0.790 5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.226 2.042 4.326 1.00 0.00 H new ATOM 276 N TYR A 18 0.121 4.228 2.628 1.00 0.00 N ATOM 277 CA TYR A 18 -0.647 5.249 3.337 1.00 0.00 C ATOM 278 C TYR A 18 -1.973 5.521 2.635 1.00 0.00 C ATOM 279 O TYR A 18 -3.028 5.519 3.267 1.00 0.00 O ATOM 280 CB TYR A 18 0.142 6.558 3.476 1.00 0.00 C ATOM 281 CG TYR A 18 1.233 6.531 4.532 1.00 0.00 C ATOM 282 CD1 TYR A 18 2.469 7.130 4.302 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.027 5.912 5.762 1.00 0.00 C ATOM 284 CE1 TYR A 18 3.462 7.109 5.262 1.00 0.00 C ATOM 285 CE2 TYR A 18 2.017 5.889 6.725 1.00 0.00 C ATOM 286 CZ TYR A 18 3.231 6.487 6.470 1.00 0.00 C ATOM 287 OH TYR A 18 4.221 6.463 7.430 1.00 0.00 O ATOM 0 H TYR A 18 1.011 4.552 2.250 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.846 4.861 4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.593 6.799 2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.554 7.363 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.654 7.619 3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.077 5.442 5.967 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.415 7.578 5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.840 5.404 7.674 1.00 0.00 H new ATOM 0 HH TYR A 18 3.896 5.987 8.223 1.00 0.00 H new ATOM 297 N HIS A 19 -1.916 5.732 1.324 1.00 0.00 N ATOM 298 CA HIS A 19 -3.116 6.043 0.549 1.00 0.00 C ATOM 299 C HIS A 19 -4.103 4.884 0.583 1.00 0.00 C ATOM 300 O HIS A 19 -5.273 5.068 0.914 1.00 0.00 O ATOM 301 CB HIS A 19 -2.766 6.374 -0.904 1.00 0.00 C ATOM 302 CG HIS A 19 -1.990 7.643 -1.074 1.00 0.00 C ATOM 303 ND1 HIS A 19 -1.334 7.971 -2.241 1.00 0.00 N ATOM 304 CD2 HIS A 19 -1.764 8.667 -0.218 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.736 9.137 -2.092 1.00 0.00 C ATOM 306 NE2 HIS A 19 -0.981 9.581 -0.875 1.00 0.00 N ATOM 0 H HIS A 19 -1.056 5.694 0.776 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.579 6.917 1.007 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.190 5.550 -1.324 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.688 6.445 -1.481 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.132 8.749 0.794 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.145 9.643 -2.841 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.643 10.461 -0.486 1.00 0.00 H new ATOM 315 N LEU A 20 -3.618 3.688 0.263 1.00 0.00 N ATOM 316 CA LEU A 20 -4.468 2.504 0.192 1.00 0.00 C ATOM 317 C LEU A 20 -5.122 2.213 1.539 1.00 0.00 C ATOM 318 O LEU A 20 -6.293 1.845 1.595 1.00 0.00 O ATOM 319 CB LEU A 20 -3.666 1.288 -0.272 1.00 0.00 C ATOM 320 CG LEU A 20 -3.039 1.396 -1.663 1.00 0.00 C ATOM 321 CD1 LEU A 20 -2.061 0.255 -1.891 1.00 0.00 C ATOM 322 CD2 LEU A 20 -4.120 1.394 -2.732 1.00 0.00 C ATOM 0 H LEU A 20 -2.636 3.513 0.048 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.254 2.706 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.871 1.103 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.321 0.417 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.493 2.337 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.623 0.345 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.271 0.297 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.587 -0.696 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.658 1.471 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.691 0.467 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.787 2.242 -2.576 1.00 0.00 H new ATOM 334 N GLU A 21 -4.369 2.392 2.620 1.00 0.00 N ATOM 335 CA GLU A 21 -4.887 2.144 3.964 1.00 0.00 C ATOM 336 C GLU A 21 -6.102 3.027 4.254 1.00 0.00 C ATOM 337 O GLU A 21 -7.088 2.571 4.837 1.00 0.00 O ATOM 338 CB GLU A 21 -3.795 2.394 5.012 1.00 0.00 C ATOM 339 CG GLU A 21 -3.438 1.175 5.857 1.00 0.00 C ATOM 340 CD GLU A 21 -4.615 0.639 6.647 1.00 0.00 C ATOM 341 OE1 GLU A 21 -5.056 1.313 7.602 1.00 0.00 O ATOM 342 OE2 GLU A 21 -5.096 -0.471 6.334 1.00 0.00 O ATOM 0 H GLU A 21 -3.399 2.707 2.593 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.199 1.101 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.896 2.745 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.121 3.196 5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.055 0.388 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.635 1.439 6.545 1.00 0.00 H new ATOM 349 N ASN A 22 -6.035 4.291 3.842 1.00 0.00 N ATOM 350 CA ASN A 22 -7.153 5.211 4.043 1.00 0.00 C ATOM 351 C ASN A 22 -8.291 4.890 3.082 1.00 0.00 C ATOM 352 O ASN A 22 -9.461 5.059 3.419 1.00 0.00 O ATOM 353 CB ASN A 22 -6.721 6.671 3.875 1.00 0.00 C ATOM 354 CG ASN A 22 -5.856 7.165 5.020 1.00 0.00 C ATOM 355 OD1 ASN A 22 -6.487 7.684 6.063 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 -4.632 7.084 4.965 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.227 4.699 3.372 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.503 5.079 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.172 6.777 2.939 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.607 7.301 3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.184 6.677 4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.063 7.423 5.741 1.00 0.00 H new ATOM 363 N GLU A 23 -7.941 4.423 1.887 1.00 0.00 N ATOM 364 CA GLU A 23 -8.939 4.001 0.910 1.00 0.00 C ATOM 365 C GLU A 23 -9.754 2.836 1.456 1.00 0.00 C ATOM 366 O GLU A 23 -10.985 2.843 1.392 1.00 0.00 O ATOM 367 CB GLU A 23 -8.272 3.591 -0.404 1.00 0.00 C ATOM 368 CG GLU A 23 -7.606 4.741 -1.138 1.00 0.00 C ATOM 369 CD GLU A 23 -8.592 5.811 -1.551 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.804 6.767 -0.775 1.00 0.00 O ATOM 371 OE2 GLU A 23 -9.158 5.704 -2.657 1.00 0.00 O ATOM 0 H GLU A 23 -6.975 4.327 1.572 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.602 4.844 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.526 2.823 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.021 3.141 -1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.842 5.183 -0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.098 4.358 -2.023 1.00 0.00 H new ATOM 378 N VAL A 24 -9.055 1.844 2.001 1.00 0.00 N ATOM 379 CA VAL A 24 -9.706 0.690 2.605 1.00 0.00 C ATOM 380 C VAL A 24 -10.655 1.143 3.714 1.00 0.00 C ATOM 381 O VAL A 24 -11.835 0.796 3.723 1.00 0.00 O ATOM 382 CB VAL A 24 -8.680 -0.306 3.196 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.385 -1.489 3.845 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.718 -0.791 2.123 1.00 0.00 C ATOM 0 H VAL A 24 -8.036 1.818 2.036 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.263 0.183 1.817 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.108 0.218 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.643 -2.175 4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.030 -1.132 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.987 -2.008 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.006 -1.490 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.277 -1.291 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.180 0.060 1.705 1.00 0.00 H new ATOM 394 N ALA A 25 -10.122 1.939 4.637 1.00 0.00 N ATOM 395 CA ALA A 25 -10.894 2.450 5.767 1.00 0.00 C ATOM 396 C ALA A 25 -12.128 3.230 5.312 1.00 0.00 C ATOM 397 O ALA A 25 -13.215 3.061 5.867 1.00 0.00 O ATOM 398 CB ALA A 25 -10.017 3.328 6.640 1.00 0.00 C ATOM 0 H ALA A 25 -9.150 2.247 4.624 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.242 1.592 6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.601 3.705 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.176 2.744 7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.643 4.167 6.053 1.00 0.00 H new ATOM 404 N ARG A 26 -11.953 4.082 4.307 1.00 0.00 N ATOM 405 CA ARG A 26 -13.053 4.870 3.761 1.00 0.00 C ATOM 406 C ARG A 26 -14.178 3.965 3.272 1.00 0.00 C ATOM 407 O ARG A 26 -15.331 4.115 3.675 1.00 0.00 O ATOM 408 CB ARG A 26 -12.553 5.749 2.610 1.00 0.00 C ATOM 409 CG ARG A 26 -13.662 6.480 1.871 1.00 0.00 C ATOM 410 CD ARG A 26 -13.121 7.273 0.693 1.00 0.00 C ATOM 411 NE ARG A 26 -14.192 7.849 -0.116 1.00 0.00 N ATOM 412 CZ ARG A 26 -13.994 8.664 -1.151 1.00 0.00 C ATOM 413 NH1 ARG A 26 -12.765 9.029 -1.491 1.00 0.00 N ATOM 414 NH2 ARG A 26 -15.027 9.114 -1.845 1.00 0.00 N ATOM 0 H ARG A 26 -11.055 4.245 3.852 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.442 5.507 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.848 6.481 3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.005 5.127 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.400 5.760 1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.176 7.153 2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.474 8.070 1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.506 6.623 0.071 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.154 7.612 0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.965 8.685 -0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.619 9.653 -2.284 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.974 8.837 -1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.876 9.738 -2.638 1.00 0.00 H new ATOM 428 N LEU A 27 -13.831 3.012 2.418 1.00 0.00 N ATOM 429 CA LEU A 27 -14.818 2.118 1.827 1.00 0.00 C ATOM 430 C LEU A 27 -15.491 1.237 2.879 1.00 0.00 C ATOM 431 O LEU A 27 -16.631 0.810 2.691 1.00 0.00 O ATOM 432 CB LEU A 27 -14.169 1.268 0.736 1.00 0.00 C ATOM 433 CG LEU A 27 -13.599 2.063 -0.434 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.825 1.152 -1.363 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.712 2.774 -1.191 1.00 0.00 C ATOM 0 H LEU A 27 -12.872 2.838 2.118 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.600 2.731 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.368 0.678 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.909 0.564 0.354 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.917 2.816 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.424 1.734 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.004 0.687 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.488 0.378 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.286 3.336 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.418 2.038 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.230 3.458 -0.519 1.00 0.00 H new ATOM 447 N LYS A 28 -14.801 0.979 3.992 1.00 0.00 N ATOM 448 CA LYS A 28 -15.395 0.232 5.093 1.00 0.00 C ATOM 449 C LYS A 28 -16.584 1.001 5.658 1.00 0.00 C ATOM 450 O LYS A 28 -17.657 0.435 5.881 1.00 0.00 O ATOM 451 CB LYS A 28 -14.372 -0.022 6.208 1.00 0.00 C ATOM 452 CG LYS A 28 -13.314 -1.061 5.869 1.00 0.00 C ATOM 453 CD LYS A 28 -13.918 -2.452 5.718 1.00 0.00 C ATOM 454 CE LYS A 28 -12.844 -3.521 5.564 1.00 0.00 C ATOM 455 NZ LYS A 28 -11.990 -3.636 6.776 1.00 0.00 N ATOM 0 H LYS A 28 -13.838 1.275 4.151 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.728 -0.731 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.876 0.918 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.903 -0.342 7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.811 -0.780 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.555 -1.077 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.533 -2.678 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.576 -2.470 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.317 -4.482 5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.220 -3.285 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.463 -4.532 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.320 -2.841 6.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.589 -3.616 7.626 1.00 0.00 H new ATOM 469 N LYS A 29 -16.380 2.300 5.884 1.00 0.00 N ATOM 470 CA LYS A 29 -17.448 3.179 6.341 1.00 0.00 C ATOM 471 C LYS A 29 -18.611 3.171 5.348 1.00 0.00 C ATOM 472 O LYS A 29 -19.774 3.127 5.745 1.00 0.00 O ATOM 473 CB LYS A 29 -16.929 4.612 6.508 1.00 0.00 C ATOM 474 CG LYS A 29 -15.631 4.723 7.300 1.00 0.00 C ATOM 475 CD LYS A 29 -15.106 6.149 7.302 1.00 0.00 C ATOM 476 CE LYS A 29 -13.732 6.245 7.950 1.00 0.00 C ATOM 477 NZ LYS A 29 -13.749 5.829 9.378 1.00 0.00 N ATOM 0 H LYS A 29 -15.481 2.764 5.756 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.799 2.811 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.776 5.048 5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.695 5.208 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.799 4.393 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.882 4.058 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.051 6.518 6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.805 6.793 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.029 5.619 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.370 7.270 7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.812 5.992 9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.461 6.386 9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.987 4.819 9.442 1.00 0.00 H new ATOM 491 N LEU A 30 -18.287 3.195 4.059 1.00 0.00 N ATOM 492 CA LEU A 30 -19.302 3.221 3.005 1.00 0.00 C ATOM 493 C LEU A 30 -20.182 1.972 3.037 1.00 0.00 C ATOM 494 O LEU A 30 -21.406 2.074 3.034 1.00 0.00 O ATOM 495 CB LEU A 30 -18.653 3.371 1.625 1.00 0.00 C ATOM 496 CG LEU A 30 -18.458 4.813 1.132 1.00 0.00 C ATOM 497 CD1 LEU A 30 -19.802 5.504 0.952 1.00 0.00 C ATOM 498 CD2 LEU A 30 -17.580 5.603 2.091 1.00 0.00 C ATOM 0 H LEU A 30 -17.327 3.197 3.716 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.938 4.087 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -17.680 2.879 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.264 2.837 0.897 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.956 4.773 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -19.643 6.524 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.397 4.958 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -20.331 5.525 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -17.458 6.620 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -18.049 5.631 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -16.603 5.125 2.168 1.00 0.00 H new ATOM 510 N VAL A 31 -19.560 0.799 3.073 1.00 0.00 N ATOM 511 CA VAL A 31 -20.306 -0.456 3.167 1.00 0.00 C ATOM 512 C VAL A 31 -21.069 -0.543 4.496 1.00 0.00 C ATOM 513 O VAL A 31 -22.098 -1.214 4.589 1.00 0.00 O ATOM 514 CB VAL A 31 -19.367 -1.680 3.034 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.160 -2.978 3.009 1.00 0.00 C ATOM 516 CG2 VAL A 31 -18.502 -1.565 1.789 1.00 0.00 C ATOM 0 H VAL A 31 -18.547 0.688 3.039 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.019 -0.468 2.343 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.716 -1.695 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.475 -3.821 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.729 -3.074 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.844 -2.970 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.851 -2.436 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.140 -1.514 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.895 -0.662 1.850 1.00 0.00 H new ATOM 526 N GLY A 32 -20.582 0.162 5.515 1.00 0.00 N ATOM 527 CA GLY A 32 -21.252 0.170 6.803 1.00 0.00 C ATOM 528 C GLY A 32 -22.494 1.044 6.810 1.00 0.00 C ATOM 529 O GLY A 32 -23.276 1.012 7.759 1.00 0.00 O ATOM 0 H GLY A 32 -19.735 0.728 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.528 -0.850 7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.559 0.524 7.567 1.00 0.00 H new ATOM 533 N GLU A 33 -22.672 1.830 5.758 1.00 0.00 N ATOM 534 CA GLU A 33 -23.843 2.683 5.636 1.00 0.00 C ATOM 535 C GLU A 33 -24.926 1.966 4.838 1.00 0.00 C ATOM 536 O GLU A 33 -24.940 2.092 3.597 1.00 0.00 O ATOM 537 CB GLU A 33 -23.478 4.016 4.965 1.00 0.00 C ATOM 538 CG GLU A 33 -22.549 4.888 5.796 1.00 0.00 C ATOM 539 CD GLU A 33 -23.114 5.215 7.164 1.00 0.00 C ATOM 540 OE1 GLU A 33 -22.607 4.670 8.170 1.00 0.00 O ATOM 541 OE2 GLU A 33 -24.065 6.021 7.243 1.00 0.00 O ATOM 542 OXT GLU A 33 -25.743 1.253 5.456 1.00 0.00 O ATOM 0 H GLU A 33 -22.019 1.894 4.977 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.222 2.899 6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.006 3.811 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -24.393 4.571 4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -21.592 4.380 5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -22.352 5.816 5.259 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 20.717 3.802 5.320 1.00 0.00 N ATOM 551 CA GLY B 1 21.584 2.821 4.628 1.00 0.00 C ATOM 552 C GLY B 1 21.117 1.404 4.853 1.00 0.00 C ATOM 553 O GLY B 1 19.927 1.176 5.064 1.00 0.00 O ATOM 0 H1 GLY B 1 20.575 4.631 4.709 1.00 0.00 H new ATOM 0 H2 GLY B 1 19.797 3.365 5.530 1.00 0.00 H new ATOM 0 H3 GLY B 1 21.169 4.100 6.208 1.00 0.00 H new ATOM 0 HA2 GLY B 1 21.594 3.035 3.559 1.00 0.00 H new ATOM 0 HA3 GLY B 1 22.609 2.927 4.984 1.00 0.00 H new ATOM 559 N SER B 2 22.059 0.461 4.821 1.00 0.00 N ATOM 560 CA SER B 2 21.768 -0.959 5.000 1.00 0.00 C ATOM 561 C SER B 2 20.850 -1.479 3.896 1.00 0.00 C ATOM 562 O SER B 2 19.626 -1.333 3.958 1.00 0.00 O ATOM 563 CB SER B 2 21.154 -1.214 6.382 1.00 0.00 C ATOM 564 OG SER B 2 20.883 -2.594 6.582 1.00 0.00 O ATOM 0 H SER B 2 23.047 0.662 4.670 1.00 0.00 H new ATOM 0 HA SER B 2 22.709 -1.505 4.935 1.00 0.00 H new ATOM 0 HB2 SER B 2 21.835 -0.860 7.156 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.232 -0.642 6.483 1.00 0.00 H new ATOM 0 HG SER B 2 20.646 -2.748 7.520 1.00 0.00 H new ATOM 570 N MET B 3 21.451 -2.096 2.885 1.00 0.00 N ATOM 571 CA MET B 3 20.692 -2.649 1.769 1.00 0.00 C ATOM 572 C MET B 3 19.761 -3.754 2.247 1.00 0.00 C ATOM 573 O MET B 3 18.686 -3.950 1.686 1.00 0.00 O ATOM 574 CB MET B 3 21.628 -3.192 0.686 1.00 0.00 C ATOM 575 CG MET B 3 22.436 -2.119 -0.020 1.00 0.00 C ATOM 576 SD MET B 3 23.469 -2.787 -1.336 1.00 0.00 S ATOM 577 CE MET B 3 24.257 -1.298 -1.939 1.00 0.00 C ATOM 0 H MET B 3 22.460 -2.226 2.815 1.00 0.00 H new ATOM 0 HA MET B 3 20.095 -1.843 1.342 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.312 -3.911 1.137 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.038 -3.734 -0.053 1.00 0.00 H new ATOM 0 HG2 MET B 3 21.758 -1.374 -0.437 1.00 0.00 H new ATOM 0 HG3 MET B 3 23.066 -1.606 0.707 1.00 0.00 H new ATOM 0 HE1 MET B 3 24.875 -1.538 -2.804 1.00 0.00 H new ATOM 0 HE2 MET B 3 23.495 -0.574 -2.227 1.00 0.00 H new ATOM 0 HE3 MET B 3 24.882 -0.873 -1.153 1.00 0.00 H new ATOM 587 N LYS B 4 20.177 -4.463 3.289 1.00 0.00 N ATOM 588 CA LYS B 4 19.368 -5.529 3.866 1.00 0.00 C ATOM 589 C LYS B 4 18.118 -4.953 4.528 1.00 0.00 C ATOM 590 O LYS B 4 17.003 -5.412 4.273 1.00 0.00 O ATOM 591 CB LYS B 4 20.188 -6.331 4.880 1.00 0.00 C ATOM 592 CG LYS B 4 19.424 -7.487 5.508 1.00 0.00 C ATOM 593 CD LYS B 4 20.310 -8.314 6.428 1.00 0.00 C ATOM 594 CE LYS B 4 21.397 -9.054 5.658 1.00 0.00 C ATOM 595 NZ LYS B 4 20.832 -10.000 4.657 1.00 0.00 N ATOM 0 H LYS B 4 21.074 -4.318 3.753 1.00 0.00 H new ATOM 0 HA LYS B 4 19.056 -6.199 3.065 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.078 -6.721 4.387 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.529 -5.661 5.669 1.00 0.00 H new ATOM 0 HG2 LYS B 4 18.576 -7.099 6.072 1.00 0.00 H new ATOM 0 HG3 LYS B 4 19.019 -8.125 4.722 1.00 0.00 H new ATOM 0 HD2 LYS B 4 20.771 -7.662 7.170 1.00 0.00 H new ATOM 0 HD3 LYS B 4 19.697 -9.033 6.972 1.00 0.00 H new ATOM 0 HE2 LYS B 4 22.037 -8.332 5.152 1.00 0.00 H new ATOM 0 HE3 LYS B 4 22.027 -9.602 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 21.575 -10.656 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 20.055 -10.539 5.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 20.471 -9.467 3.840 1.00 0.00 H new ATOM 609 N GLN B 5 18.310 -3.931 5.359 1.00 0.00 N ATOM 610 CA GLN B 5 17.199 -3.269 6.035 1.00 0.00 C ATOM 611 C GLN B 5 16.204 -2.724 5.022 1.00 0.00 C ATOM 612 O GLN B 5 14.992 -2.888 5.171 1.00 0.00 O ATOM 613 CB GLN B 5 17.717 -2.127 6.912 1.00 0.00 C ATOM 614 CG GLN B 5 16.621 -1.354 7.626 1.00 0.00 C ATOM 615 CD GLN B 5 17.161 -0.165 8.394 1.00 0.00 C ATOM 616 OE1 GLN B 5 17.521 -0.277 9.563 1.00 0.00 O ATOM 617 NE2 GLN B 5 17.225 0.982 7.739 1.00 0.00 N ATOM 0 H GLN B 5 19.227 -3.543 5.580 1.00 0.00 H new ATOM 0 HA GLN B 5 16.696 -4.004 6.663 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.403 -2.534 7.654 1.00 0.00 H new ATOM 0 HB3 GLN B 5 18.290 -1.437 6.292 1.00 0.00 H new ATOM 0 HG2 GLN B 5 15.888 -1.010 6.896 1.00 0.00 H new ATOM 0 HG3 GLN B 5 16.098 -2.020 8.313 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.916 1.033 6.768 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.584 1.816 8.204 1.00 0.00 H new ATOM 626 N LEU B 6 16.728 -2.091 3.982 1.00 0.00 N ATOM 627 CA LEU B 6 15.887 -1.495 2.952 1.00 0.00 C ATOM 628 C LEU B 6 15.218 -2.574 2.106 1.00 0.00 C ATOM 629 O LEU B 6 14.105 -2.385 1.621 1.00 0.00 O ATOM 630 CB LEU B 6 16.697 -0.543 2.061 1.00 0.00 C ATOM 631 CG LEU B 6 17.279 0.687 2.769 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.131 1.501 1.810 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.165 1.551 3.347 1.00 0.00 C ATOM 0 H LEU B 6 17.730 -1.977 3.829 1.00 0.00 H new ATOM 0 HA LEU B 6 15.110 -0.916 3.451 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.516 -1.103 1.611 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.058 -0.203 1.246 1.00 0.00 H new ATOM 0 HG LEU B 6 17.910 0.342 3.588 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.535 2.369 2.330 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.951 0.886 1.440 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.519 1.833 0.971 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.598 2.418 3.845 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.509 1.885 2.543 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.590 0.969 4.067 1.00 0.00 H new ATOM 645 N GLU B 7 15.886 -3.711 1.950 1.00 0.00 N ATOM 646 CA GLU B 7 15.339 -4.824 1.196 1.00 0.00 C ATOM 647 C GLU B 7 14.103 -5.379 1.899 1.00 0.00 C ATOM 648 O GLU B 7 13.058 -5.579 1.279 1.00 0.00 O ATOM 649 CB GLU B 7 16.395 -5.918 1.046 1.00 0.00 C ATOM 650 CG GLU B 7 15.981 -7.036 0.116 1.00 0.00 C ATOM 651 CD GLU B 7 15.917 -6.592 -1.331 1.00 0.00 C ATOM 652 OE1 GLU B 7 16.988 -6.474 -1.963 1.00 0.00 O ATOM 653 OE2 GLU B 7 14.801 -6.370 -1.846 1.00 0.00 O ATOM 0 H GLU B 7 16.813 -3.883 2.340 1.00 0.00 H new ATOM 0 HA GLU B 7 15.049 -4.473 0.206 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.318 -5.472 0.676 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.615 -6.336 2.028 1.00 0.00 H new ATOM 0 HG2 GLU B 7 16.687 -7.862 0.209 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.005 -7.415 0.420 1.00 0.00 H new ATOM 660 N ASP B 8 14.229 -5.615 3.204 1.00 0.00 N ATOM 661 CA ASP B 8 13.104 -6.083 4.010 1.00 0.00 C ATOM 662 C ASP B 8 12.012 -5.023 4.063 1.00 0.00 C ATOM 663 O ASP B 8 10.824 -5.340 4.144 1.00 0.00 O ATOM 664 CB ASP B 8 13.553 -6.441 5.429 1.00 0.00 C ATOM 665 CG ASP B 8 14.308 -7.754 5.494 1.00 0.00 C ATOM 666 OD1 ASP B 8 13.655 -8.820 5.543 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.553 -7.733 5.504 1.00 0.00 O ATOM 0 H ASP B 8 15.097 -5.490 3.724 1.00 0.00 H new ATOM 0 HA ASP B 8 12.706 -6.982 3.539 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.187 -5.643 5.816 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.679 -6.497 6.078 1.00 0.00 H new ATOM 672 N LYS B 9 12.434 -3.765 4.031 1.00 0.00 N ATOM 673 CA LYS B 9 11.498 -2.628 3.976 1.00 0.00 C ATOM 674 C LYS B 9 10.637 -2.692 2.721 1.00 0.00 C ATOM 675 O LYS B 9 9.407 -2.662 2.795 1.00 0.00 O ATOM 676 CB LYS B 9 12.240 -1.290 3.966 1.00 0.00 C ATOM 677 CG LYS B 9 11.430 -0.149 4.552 1.00 0.00 C ATOM 678 CD LYS B 9 11.157 -0.358 6.030 1.00 0.00 C ATOM 679 CE LYS B 9 10.384 0.806 6.621 1.00 0.00 C ATOM 680 NZ LYS B 9 10.070 0.587 8.057 1.00 0.00 N ATOM 0 H LYS B 9 13.418 -3.497 4.042 1.00 0.00 H new ATOM 0 HA LYS B 9 10.874 -2.697 4.867 1.00 0.00 H new ATOM 0 HB2 LYS B 9 13.168 -1.393 4.528 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.514 -1.042 2.941 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.966 0.789 4.410 1.00 0.00 H new ATOM 0 HG3 LYS B 9 10.485 -0.060 4.016 1.00 0.00 H new ATOM 0 HD2 LYS B 9 10.593 -1.280 6.170 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.101 -0.478 6.562 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.965 1.722 6.511 1.00 0.00 H new ATOM 0 HE3 LYS B 9 9.458 0.948 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.542 1.404 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 9.494 -0.273 8.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 10.954 0.477 8.593 1.00 0.00 H new ATOM 694 N VAL B 10 11.307 -2.778 1.574 1.00 0.00 N ATOM 695 CA VAL B 10 10.643 -2.858 0.276 1.00 0.00 C ATOM 696 C VAL B 10 9.717 -4.058 0.275 1.00 0.00 C ATOM 697 O VAL B 10 8.607 -4.020 -0.248 1.00 0.00 O ATOM 698 CB VAL B 10 11.666 -2.998 -0.875 1.00 0.00 C ATOM 699 CG1 VAL B 10 10.963 -3.232 -2.204 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.548 -1.761 -0.954 1.00 0.00 C ATOM 0 H VAL B 10 12.325 -2.794 1.519 1.00 0.00 H new ATOM 0 HA VAL B 10 10.081 -1.938 0.116 1.00 0.00 H new ATOM 0 HB VAL B 10 12.294 -3.864 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.705 -3.327 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.373 -4.147 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.306 -2.390 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.263 -1.875 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL B 10 11.928 -0.883 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.086 -1.637 -0.014 1.00 0.00 H new ATOM 710 N GLU B 11 10.196 -5.107 0.918 1.00 0.00 N ATOM 711 CA GLU B 11 9.458 -6.357 1.047 1.00 0.00 C ATOM 712 C GLU B 11 8.159 -6.155 1.829 1.00 0.00 C ATOM 713 O GLU B 11 7.083 -6.551 1.374 1.00 0.00 O ATOM 714 CB GLU B 11 10.334 -7.392 1.748 1.00 0.00 C ATOM 715 CG GLU B 11 9.674 -8.745 1.942 1.00 0.00 C ATOM 716 CD GLU B 11 10.565 -9.701 2.701 1.00 0.00 C ATOM 717 OE1 GLU B 11 11.436 -10.335 2.071 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.412 -9.806 3.936 1.00 0.00 O ATOM 0 H GLU B 11 11.111 -5.119 1.368 1.00 0.00 H new ATOM 0 HA GLU B 11 9.197 -6.710 0.049 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.248 -7.527 1.170 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.627 -7.002 2.722 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.735 -8.617 2.481 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.428 -9.172 0.970 1.00 0.00 H new ATOM 725 N GLU B 12 8.266 -5.535 3.001 1.00 0.00 N ATOM 726 CA GLU B 12 7.109 -5.326 3.871 1.00 0.00 C ATOM 727 C GLU B 12 6.029 -4.494 3.170 1.00 0.00 C ATOM 728 O GLU B 12 4.940 -4.991 2.875 1.00 0.00 O ATOM 729 CB GLU B 12 7.560 -4.643 5.167 1.00 0.00 C ATOM 730 CG GLU B 12 6.438 -4.368 6.154 1.00 0.00 C ATOM 731 CD GLU B 12 5.717 -5.623 6.596 1.00 0.00 C ATOM 732 OE1 GLU B 12 6.354 -6.489 7.236 1.00 0.00 O ATOM 733 OE2 GLU B 12 4.508 -5.746 6.322 1.00 0.00 O ATOM 0 H GLU B 12 9.142 -5.168 3.372 1.00 0.00 H new ATOM 0 HA GLU B 12 6.672 -6.296 4.108 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.309 -5.269 5.652 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.046 -3.700 4.916 1.00 0.00 H new ATOM 0 HG2 GLU B 12 6.847 -3.864 7.029 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.721 -3.685 5.699 1.00 0.00 H new ATOM 740 N LEU B 13 6.351 -3.236 2.911 1.00 0.00 N ATOM 741 CA LEU B 13 5.444 -2.297 2.246 1.00 0.00 C ATOM 742 C LEU B 13 4.821 -2.863 0.962 1.00 0.00 C ATOM 743 O LEU B 13 3.655 -2.606 0.680 1.00 0.00 O ATOM 744 CB LEU B 13 6.190 -1.002 1.925 1.00 0.00 C ATOM 745 CG LEU B 13 6.708 -0.235 3.142 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.569 0.938 2.704 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.549 0.248 4.002 1.00 0.00 C ATOM 0 H LEU B 13 7.254 -2.830 3.156 1.00 0.00 H new ATOM 0 HA LEU B 13 4.624 -2.107 2.939 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.034 -1.238 1.277 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.526 -0.349 1.359 1.00 0.00 H new ATOM 0 HG LEU B 13 7.321 -0.910 3.739 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.929 1.473 3.583 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.419 0.571 2.129 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.977 1.613 2.086 1.00 0.00 H new ATOM 0 HD21 LEU B 13 5.937 0.792 4.863 1.00 0.00 H new ATOM 0 HD22 LEU B 13 4.910 0.907 3.414 1.00 0.00 H new ATOM 0 HD23 LEU B 13 4.969 -0.609 4.345 1.00 0.00 H new ATOM 759 N LEU B 14 5.590 -3.620 0.188 1.00 0.00 N ATOM 760 CA LEU B 14 5.093 -4.197 -1.058 1.00 0.00 C ATOM 761 C LEU B 14 3.970 -5.201 -0.795 1.00 0.00 C ATOM 762 O LEU B 14 2.953 -5.186 -1.492 1.00 0.00 O ATOM 763 CB LEU B 14 6.232 -4.859 -1.846 1.00 0.00 C ATOM 764 CG LEU B 14 5.840 -5.453 -3.201 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.405 -4.361 -4.169 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.996 -6.251 -3.782 1.00 0.00 C ATOM 0 H LEU B 14 6.561 -3.849 0.400 1.00 0.00 H new ATOM 0 HA LEU B 14 4.685 -3.384 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU B 14 7.016 -4.119 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.662 -5.651 -1.233 1.00 0.00 H new ATOM 0 HG LEU B 14 4.995 -6.124 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.132 -4.809 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.546 -3.831 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.226 -3.660 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.703 -6.667 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.858 -5.598 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.257 -7.061 -3.101 1.00 0.00 H new ATOM 778 N SER B 15 4.135 -6.060 0.213 1.00 0.00 N ATOM 779 CA SER B 15 3.083 -7.008 0.555 1.00 0.00 C ATOM 780 C SER B 15 1.865 -6.259 1.091 1.00 0.00 C ATOM 781 O SER B 15 0.725 -6.674 0.888 1.00 0.00 O ATOM 782 CB SER B 15 3.582 -8.050 1.566 1.00 0.00 C ATOM 783 OG SER B 15 4.035 -7.449 2.770 1.00 0.00 O ATOM 0 H SER B 15 4.971 -6.116 0.794 1.00 0.00 H new ATOM 0 HA SER B 15 2.792 -7.546 -0.347 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.778 -8.751 1.791 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.393 -8.627 1.121 1.00 0.00 H new ATOM 0 HG SER B 15 4.057 -6.475 2.662 1.00 0.00 H new ATOM 789 N LYS B 16 2.121 -5.135 1.755 1.00 0.00 N ATOM 790 CA LYS B 16 1.058 -4.252 2.213 1.00 0.00 C ATOM 791 C LYS B 16 0.335 -3.644 1.020 1.00 0.00 C ATOM 792 O LYS B 16 -0.890 -3.685 0.943 1.00 0.00 O ATOM 793 CB LYS B 16 1.629 -3.141 3.097 1.00 0.00 C ATOM 794 CG LYS B 16 2.123 -3.624 4.450 1.00 0.00 C ATOM 795 CD LYS B 16 0.968 -3.931 5.391 1.00 0.00 C ATOM 796 CE LYS B 16 0.286 -2.659 5.883 1.00 0.00 C ATOM 797 NZ LYS B 16 1.218 -1.794 6.658 1.00 0.00 N ATOM 0 H LYS B 16 3.061 -4.815 1.988 1.00 0.00 H new ATOM 0 HA LYS B 16 0.350 -4.837 2.800 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.453 -2.659 2.571 1.00 0.00 H new ATOM 0 HB3 LYS B 16 0.862 -2.382 3.251 1.00 0.00 H new ATOM 0 HG2 LYS B 16 2.733 -4.518 4.317 1.00 0.00 H new ATOM 0 HG3 LYS B 16 2.764 -2.864 4.896 1.00 0.00 H new ATOM 0 HD2 LYS B 16 0.239 -4.560 4.879 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.336 -4.500 6.245 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -0.102 -2.102 5.030 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.568 -2.923 6.507 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.690 -1.295 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 1.958 -2.382 7.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.658 -1.100 6.021 1.00 0.00 H new ATOM 811 N ASN B 17 1.115 -3.097 0.089 1.00 0.00 N ATOM 812 CA ASN B 17 0.576 -2.487 -1.125 1.00 0.00 C ATOM 813 C ASN B 17 -0.320 -3.476 -1.863 1.00 0.00 C ATOM 814 O ASN B 17 -1.413 -3.126 -2.302 1.00 0.00 O ATOM 815 CB ASN B 17 1.737 -2.015 -2.027 1.00 0.00 C ATOM 816 CG ASN B 17 1.327 -1.289 -3.322 1.00 0.00 C ATOM 817 OD1 ASN B 17 1.989 -0.331 -3.719 1.00 0.00 O ATOM 818 ND2 ASN B 17 0.287 -1.740 -4.023 1.00 0.00 N ATOM 0 H ASN B 17 2.132 -3.064 0.154 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.030 -1.622 -0.855 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.376 -1.349 -1.446 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.340 -2.883 -2.295 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.030 -1.290 -4.902 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.252 -2.535 -3.681 1.00 0.00 H new ATOM 825 N TYR B 18 0.146 -4.711 -1.990 1.00 0.00 N ATOM 826 CA TYR B 18 -0.619 -5.742 -2.688 1.00 0.00 C ATOM 827 C TYR B 18 -1.931 -6.029 -1.964 1.00 0.00 C ATOM 828 O TYR B 18 -2.995 -6.040 -2.578 1.00 0.00 O ATOM 829 CB TYR B 18 0.186 -7.041 -2.837 1.00 0.00 C ATOM 830 CG TYR B 18 1.259 -7.004 -3.909 1.00 0.00 C ATOM 831 CD1 TYR B 18 2.507 -7.584 -3.694 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.027 -6.393 -5.140 1.00 0.00 C ATOM 833 CE1 TYR B 18 3.486 -7.552 -4.668 1.00 0.00 C ATOM 834 CE2 TYR B 18 2.004 -6.360 -6.116 1.00 0.00 C ATOM 835 CZ TYR B 18 3.231 -6.939 -5.875 1.00 0.00 C ATOM 836 OH TYR B 18 4.207 -6.907 -6.846 1.00 0.00 O ATOM 0 H TYR B 18 1.044 -5.025 -1.622 1.00 0.00 H new ATOM 0 HA TYR B 18 -0.838 -5.359 -3.685 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.655 -7.273 -1.881 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.503 -7.856 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR B 18 2.713 -8.067 -2.750 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.067 -5.938 -5.334 1.00 0.00 H new ATOM 0 HE1 TYR B 18 4.448 -8.006 -4.484 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.807 -5.882 -7.064 1.00 0.00 H new ATOM 0 HH TYR B 18 3.866 -6.439 -7.637 1.00 0.00 H new ATOM 846 N HIS B 19 -1.849 -6.241 -0.655 1.00 0.00 N ATOM 847 CA HIS B 19 -3.033 -6.563 0.139 1.00 0.00 C ATOM 848 C HIS B 19 -4.034 -5.415 0.117 1.00 0.00 C ATOM 849 O HIS B 19 -5.208 -5.615 -0.191 1.00 0.00 O ATOM 850 CB HIS B 19 -2.658 -6.888 1.589 1.00 0.00 C ATOM 851 CG HIS B 19 -1.864 -8.149 1.749 1.00 0.00 C ATOM 852 ND1 HIS B 19 -1.190 -8.470 2.906 1.00 0.00 N ATOM 853 CD2 HIS B 19 -1.632 -9.169 0.891 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.581 -9.628 2.752 1.00 0.00 C ATOM 855 NE2 HIS B 19 -0.829 -10.076 1.538 1.00 0.00 N ATOM 0 H HIS B 19 -0.981 -6.196 -0.122 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.493 -7.444 -0.310 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.085 -6.056 2.000 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.571 -6.969 2.179 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -2.009 -9.254 -0.117 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.021 -10.127 3.497 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.482 -10.951 1.144 1.00 0.00 H new ATOM 864 N LEU B 20 -3.557 -4.213 0.423 1.00 0.00 N ATOM 865 CA LEU B 20 -4.423 -3.042 0.505 1.00 0.00 C ATOM 866 C LEU B 20 -5.102 -2.760 -0.831 1.00 0.00 C ATOM 867 O LEU B 20 -6.278 -2.412 -0.866 1.00 0.00 O ATOM 868 CB LEU B 20 -3.631 -1.813 0.955 1.00 0.00 C ATOM 869 CG LEU B 20 -2.984 -1.912 2.337 1.00 0.00 C ATOM 870 CD1 LEU B 20 -2.018 -0.759 2.551 1.00 0.00 C ATOM 871 CD2 LEU B 20 -4.050 -1.919 3.420 1.00 0.00 C ATOM 0 H LEU B 20 -2.574 -4.024 0.619 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.195 -3.257 1.244 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.849 -1.618 0.221 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.298 -0.951 0.947 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.426 -2.847 2.394 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.565 -0.842 3.539 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.238 -0.792 1.790 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.557 0.186 2.478 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.574 -1.990 4.398 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.631 -0.998 3.365 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.710 -2.774 3.275 1.00 0.00 H new ATOM 883 N GLU B 21 -4.363 -2.933 -1.924 1.00 0.00 N ATOM 884 CA GLU B 21 -4.902 -2.695 -3.261 1.00 0.00 C ATOM 885 C GLU B 21 -6.111 -3.592 -3.530 1.00 0.00 C ATOM 886 O GLU B 21 -7.116 -3.143 -4.087 1.00 0.00 O ATOM 887 CB GLU B 21 -3.821 -2.938 -4.319 1.00 0.00 C ATOM 888 CG GLU B 21 -3.488 -1.718 -5.171 1.00 0.00 C ATOM 889 CD GLU B 21 -4.684 -1.197 -5.938 1.00 0.00 C ATOM 890 OE1 GLU B 21 -5.121 -1.867 -6.900 1.00 0.00 O ATOM 891 OE2 GLU B 21 -5.185 -0.105 -5.601 1.00 0.00 O ATOM 0 H GLU B 21 -3.389 -3.237 -1.911 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.227 -1.656 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.913 -3.277 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.146 -3.746 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.100 -0.927 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.695 -1.976 -5.873 1.00 0.00 H new ATOM 898 N ASN B 22 -6.020 -4.855 -3.123 1.00 0.00 N ATOM 899 CA ASN B 22 -7.128 -5.787 -3.303 1.00 0.00 C ATOM 900 C ASN B 22 -8.253 -5.485 -2.323 1.00 0.00 C ATOM 901 O ASN B 22 -9.426 -5.695 -2.630 1.00 0.00 O ATOM 902 CB ASN B 22 -6.670 -7.240 -3.142 1.00 0.00 C ATOM 903 CG ASN B 22 -5.818 -7.718 -4.303 1.00 0.00 C ATOM 904 OD1 ASN B 22 -6.457 -8.253 -5.333 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 -4.594 -7.608 -4.275 1.00 0.00 N flip ATOM 0 H ASN B 22 -5.198 -5.254 -2.670 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.500 -5.657 -4.319 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.103 -7.337 -2.216 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.544 -7.884 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.138 -7.190 -3.464 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.034 -7.934 -5.063 1.00 0.00 H new ATOM 912 N GLU B 23 -7.892 -5.006 -1.138 1.00 0.00 N ATOM 913 CA GLU B 23 -8.880 -4.592 -0.146 1.00 0.00 C ATOM 914 C GLU B 23 -9.722 -3.441 -0.683 1.00 0.00 C ATOM 915 O GLU B 23 -10.951 -3.467 -0.599 1.00 0.00 O ATOM 916 CB GLU B 23 -8.201 -4.169 1.157 1.00 0.00 C ATOM 917 CG GLU B 23 -7.514 -5.307 1.885 1.00 0.00 C ATOM 918 CD GLU B 23 -8.487 -6.380 2.313 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.699 -7.337 1.541 1.00 0.00 O ATOM 920 OE2 GLU B 23 -9.048 -6.270 3.421 1.00 0.00 O ATOM 0 H GLU B 23 -6.923 -4.894 -0.840 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.527 -5.445 0.059 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.467 -3.394 0.938 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -8.946 -3.725 1.817 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -6.755 -5.745 1.237 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -6.998 -4.916 2.762 1.00 0.00 H new ATOM 927 N VAL B 24 -9.046 -2.440 -1.239 1.00 0.00 N ATOM 928 CA VAL B 24 -9.721 -1.298 -1.837 1.00 0.00 C ATOM 929 C VAL B 24 -10.677 -1.768 -2.933 1.00 0.00 C ATOM 930 O VAL B 24 -11.865 -1.443 -2.922 1.00 0.00 O ATOM 931 CB VAL B 24 -8.715 -0.290 -2.442 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.443 0.884 -3.083 1.00 0.00 C ATOM 933 CG2 VAL B 24 -7.745 0.208 -1.383 1.00 0.00 C ATOM 0 H VAL B 24 -8.028 -2.399 -1.287 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.276 -0.797 -1.044 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.147 -0.808 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.715 1.579 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.094 0.519 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.042 1.396 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.048 0.915 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.300 0.702 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.191 -0.636 -0.971 1.00 0.00 H new ATOM 943 N ALA B 25 -10.145 -2.558 -3.861 1.00 0.00 N ATOM 944 CA ALA B 25 -10.925 -3.080 -4.979 1.00 0.00 C ATOM 945 C ALA B 25 -12.143 -3.871 -4.503 1.00 0.00 C ATOM 946 O ALA B 25 -13.241 -3.712 -5.040 1.00 0.00 O ATOM 947 CB ALA B 25 -10.050 -3.948 -5.866 1.00 0.00 C ATOM 0 H ALA B 25 -9.169 -2.853 -3.860 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.290 -2.228 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.642 -4.332 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.223 -3.354 -6.254 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.657 -4.782 -5.285 1.00 0.00 H new ATOM 953 N ARG B 26 -11.943 -4.720 -3.500 1.00 0.00 N ATOM 954 CA ARG B 26 -13.026 -5.520 -2.938 1.00 0.00 C ATOM 955 C ARG B 26 -14.156 -4.629 -2.433 1.00 0.00 C ATOM 956 O ARG B 26 -15.313 -4.799 -2.816 1.00 0.00 O ATOM 957 CB ARG B 26 -12.499 -6.392 -1.793 1.00 0.00 C ATOM 958 CG ARG B 26 -13.590 -7.136 -1.038 1.00 0.00 C ATOM 959 CD ARG B 26 -13.024 -7.920 0.136 1.00 0.00 C ATOM 960 NE ARG B 26 -14.080 -8.511 0.956 1.00 0.00 N ATOM 961 CZ ARG B 26 -13.861 -9.320 1.991 1.00 0.00 C ATOM 962 NH1 ARG B 26 -12.625 -9.678 2.314 1.00 0.00 N ATOM 963 NH2 ARG B 26 -14.886 -9.782 2.696 1.00 0.00 N ATOM 0 H ARG B 26 -11.036 -4.872 -3.058 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.419 -6.162 -3.727 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -11.790 -7.116 -2.196 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -11.949 -5.763 -1.093 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -14.333 -6.425 -0.677 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.104 -7.817 -1.717 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.369 -8.708 -0.236 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.412 -7.261 0.752 1.00 0.00 H new ATOM 0 HE ARG B 26 -15.047 -8.289 0.720 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -11.835 -9.333 1.768 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -12.465 -10.298 3.108 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -15.838 -9.517 2.445 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -14.721 -10.402 3.489 1.00 0.00 H new ATOM 977 N LEU B 27 -13.810 -3.669 -1.588 1.00 0.00 N ATOM 978 CA LEU B 27 -14.801 -2.788 -0.985 1.00 0.00 C ATOM 979 C LEU B 27 -15.498 -1.917 -2.031 1.00 0.00 C ATOM 980 O LEU B 27 -16.641 -1.504 -1.831 1.00 0.00 O ATOM 981 CB LEU B 27 -14.148 -1.930 0.097 1.00 0.00 C ATOM 982 CG LEU B 27 -13.551 -2.715 1.260 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.775 -1.793 2.177 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.645 -3.439 2.033 1.00 0.00 C ATOM 0 H LEU B 27 -12.849 -3.480 -1.304 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.570 -3.409 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.361 -1.330 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.891 -1.236 0.489 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.864 -3.460 0.857 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.355 -2.369 3.002 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.968 -1.319 1.618 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.442 -1.027 2.572 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.200 -3.994 2.859 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.356 -2.712 2.425 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.163 -4.131 1.369 1.00 0.00 H new ATOM 996 N LYS B 28 -14.829 -1.658 -3.154 1.00 0.00 N ATOM 997 CA LYS B 28 -15.446 -0.919 -4.247 1.00 0.00 C ATOM 998 C LYS B 28 -16.633 -1.703 -4.797 1.00 0.00 C ATOM 999 O LYS B 28 -17.713 -1.147 -5.011 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.441 -0.653 -5.375 1.00 0.00 C ATOM 1001 CG LYS B 28 -13.394 0.403 -5.052 1.00 0.00 C ATOM 1002 CD LYS B 28 -14.015 1.784 -4.895 1.00 0.00 C ATOM 1003 CE LYS B 28 -12.954 2.868 -4.759 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.119 2.996 -5.983 1.00 0.00 N ATOM 0 H LYS B 28 -13.867 -1.948 -3.327 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.786 0.040 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.934 -1.586 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.988 -0.344 -6.266 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.875 0.131 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.646 0.428 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.646 1.999 -5.757 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.661 1.795 -4.017 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.437 3.822 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.313 2.642 -3.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.605 3.900 -5.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.438 2.211 -6.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.730 2.967 -6.824 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.418 -3.000 -5.022 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.484 -3.894 -5.461 1.00 0.00 C ATOM 1020 C LYS B 29 -18.633 -3.896 -4.453 1.00 0.00 C ATOM 1021 O LYS B 29 -19.801 -3.861 -4.836 1.00 0.00 O ATOM 1022 CB LYS B 29 -16.949 -5.321 -5.629 1.00 0.00 C ATOM 1023 CG LYS B 29 -15.663 -5.417 -6.439 1.00 0.00 C ATOM 1024 CD LYS B 29 -15.118 -6.836 -6.444 1.00 0.00 C ATOM 1025 CE LYS B 29 -13.753 -6.911 -7.110 1.00 0.00 C ATOM 1026 NZ LYS B 29 -13.796 -6.493 -8.534 1.00 0.00 N ATOM 0 H LYS B 29 -15.512 -3.453 -4.906 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.854 -3.534 -6.421 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.776 -5.750 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.714 -5.929 -6.111 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.851 -5.094 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.917 -4.740 -6.023 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.044 -7.201 -5.420 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.815 -7.492 -6.966 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.052 -6.276 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.375 -7.931 -7.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.867 -6.657 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.519 -7.047 -9.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.032 -5.482 -8.592 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.289 -3.917 -3.166 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.288 -3.952 -2.098 1.00 0.00 C ATOM 1042 C LEU B 30 -20.181 -2.715 -2.120 1.00 0.00 C ATOM 1043 O LEU B 30 -21.403 -2.832 -2.103 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.618 -4.091 -0.725 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.396 -5.527 -0.232 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -19.728 -6.235 -0.036 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -17.519 -6.307 -1.198 1.00 0.00 C ATOM 0 H LEU B 30 -17.324 -3.910 -2.837 1.00 0.00 H new ATOM 0 HA LEU B 30 -19.915 -4.826 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -17.653 -3.586 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.227 -3.565 0.010 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.882 -5.477 0.728 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -19.551 -7.252 0.314 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -20.322 -5.695 0.702 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -20.267 -6.265 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -17.378 -7.321 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -17.999 -6.344 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -16.550 -5.816 -1.288 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.576 -1.534 -2.166 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.338 -0.289 -2.250 1.00 0.00 C ATOM 1061 C VAL B 31 -21.122 -0.212 -3.568 1.00 0.00 C ATOM 1062 O VAL B 31 -22.160 0.450 -3.648 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.413 0.946 -2.131 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.220 2.234 -2.095 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -18.529 0.845 -0.898 1.00 0.00 C ATOM 0 H VAL B 31 -18.564 -1.410 -2.147 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.039 -0.285 -1.415 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.775 0.966 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.544 3.085 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -20.804 2.323 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -20.892 2.219 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -17.888 1.725 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.153 0.788 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -17.911 -0.050 -0.966 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.641 -0.912 -4.591 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.328 -0.930 -5.867 1.00 0.00 C ATOM 1077 C GLY B 32 -22.557 -1.821 -5.857 1.00 0.00 C ATOM 1078 O GLY B 32 -23.351 -1.801 -6.798 1.00 0.00 O ATOM 0 H GLY B 32 -19.786 -1.467 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -21.623 0.086 -6.131 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.641 -1.274 -6.640 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.711 -2.609 -4.802 1.00 0.00 N ATOM 1083 CA GLU B 33 -23.871 -3.474 -4.662 1.00 0.00 C ATOM 1084 C GLU B 33 -24.951 -2.772 -3.845 1.00 0.00 C ATOM 1085 O GLU B 33 -24.943 -2.903 -2.603 1.00 0.00 O ATOM 1086 CB GLU B 33 -23.479 -4.803 -3.994 1.00 0.00 C ATOM 1087 CG GLU B 33 -22.556 -5.667 -4.838 1.00 0.00 C ATOM 1088 CD GLU B 33 -23.140 -5.997 -6.195 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -22.646 -5.459 -7.206 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -24.103 -6.792 -6.260 1.00 0.00 O ATOM 1091 OXT GLU B 33 -25.785 -2.067 -4.447 1.00 0.00 O ATOM 0 H GLU B 33 -22.046 -2.666 -4.031 1.00 0.00 H new ATOM 0 HA GLU B 33 -24.263 -3.692 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -22.992 -4.590 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -24.385 -5.367 -3.770 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -21.605 -5.151 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -22.344 -6.593 -4.304 1.00 0.00 H new TER 1098 GLU B 33