USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 THR OG1 : rot -150:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.0358 USER MOD Set 2.2: A 25 MET CE :methyl -176:sc= -0.0506 (180deg=-0.121) USER MOD Single : A 8 SER OG : rot -163:sc= 0.791 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0.812 (180deg=0.809) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.0127 X(o=0.013,f=-0.051) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00645 USER MOD Single : A 60 MET CE :methyl 166:sc= -0.0246 (180deg=-0.283) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.857 -4.543 -1.397 1.00 0.00 N ATOM 60 CA GLY A 7 -13.236 -3.248 -1.592 1.00 0.00 C ATOM 61 C GLY A 7 -11.732 -3.426 -1.769 1.00 0.00 C ATOM 62 O GLY A 7 -11.240 -4.556 -1.870 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.660 -2.758 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.438 -2.603 -0.737 1.00 0.00 H new ATOM 66 N SER A 8 -11.006 -2.312 -1.804 1.00 0.00 N ATOM 67 CA SER A 8 -9.559 -2.264 -1.976 1.00 0.00 C ATOM 68 C SER A 8 -8.980 -1.121 -1.144 1.00 0.00 C ATOM 69 O SER A 8 -9.729 -0.270 -0.647 1.00 0.00 O ATOM 70 CB SER A 8 -9.285 -2.043 -3.462 1.00 0.00 C ATOM 71 OG SER A 8 -7.919 -2.129 -3.770 1.00 0.00 O ATOM 0 H SER A 8 -11.424 -1.387 -1.710 1.00 0.00 H new ATOM 0 HA SER A 8 -9.092 -3.190 -1.642 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.834 -2.783 -4.044 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.661 -1.063 -3.757 1.00 0.00 H new ATOM 0 HG SER A 8 -7.755 -1.722 -4.646 1.00 0.00 H new ATOM 77 N VAL A 9 -7.662 -1.123 -0.941 1.00 0.00 N ATOM 78 CA VAL A 9 -6.999 -0.074 -0.181 1.00 0.00 C ATOM 79 C VAL A 9 -6.780 1.129 -1.095 1.00 0.00 C ATOM 80 O VAL A 9 -6.303 0.996 -2.225 1.00 0.00 O ATOM 81 CB VAL A 9 -5.651 -0.537 0.408 1.00 0.00 C ATOM 82 CG1 VAL A 9 -5.049 0.562 1.302 1.00 0.00 C ATOM 83 CG2 VAL A 9 -5.810 -1.788 1.278 1.00 0.00 C ATOM 0 H VAL A 9 -7.034 -1.844 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.639 0.191 0.661 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.002 -0.756 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.098 0.219 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.887 1.463 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.736 0.783 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.838 -2.082 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.488 -1.573 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.217 -2.600 0.676 1.00 0.00 H new ATOM 93 N VAL A 10 -7.103 2.308 -0.580 1.00 0.00 N ATOM 94 CA VAL A 10 -6.932 3.568 -1.270 1.00 0.00 C ATOM 95 C VAL A 10 -6.276 4.540 -0.297 1.00 0.00 C ATOM 96 O VAL A 10 -6.295 4.356 0.928 1.00 0.00 O ATOM 97 CB VAL A 10 -8.254 4.116 -1.846 1.00 0.00 C ATOM 98 CG1 VAL A 10 -8.895 3.136 -2.834 1.00 0.00 C ATOM 99 CG2 VAL A 10 -9.268 4.489 -0.762 1.00 0.00 C ATOM 0 H VAL A 10 -7.501 2.411 0.353 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.293 3.425 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.982 5.028 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.824 3.560 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.210 2.955 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.108 2.195 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.177 4.868 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.506 3.607 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.844 5.258 -0.116 1.00 0.00 H new ATOM 109 N ALA A 11 -5.671 5.567 -0.867 1.00 0.00 N ATOM 110 CA ALA A 11 -5.003 6.626 -0.155 1.00 0.00 C ATOM 111 C ALA A 11 -6.094 7.468 0.498 1.00 0.00 C ATOM 112 O ALA A 11 -6.996 7.979 -0.174 1.00 0.00 O ATOM 113 CB ALA A 11 -4.190 7.440 -1.154 1.00 0.00 C ATOM 0 H ALA A 11 -5.634 5.685 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.320 6.254 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.676 8.248 -0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.456 6.795 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.855 7.860 -1.908 1.00 0.00 H new ATOM 119 N LYS A 12 -6.063 7.572 1.821 1.00 0.00 N ATOM 120 CA LYS A 12 -7.044 8.364 2.553 1.00 0.00 C ATOM 121 C LYS A 12 -6.827 9.849 2.266 1.00 0.00 C ATOM 122 O LYS A 12 -7.774 10.637 2.330 1.00 0.00 O ATOM 123 CB LYS A 12 -6.914 8.043 4.039 1.00 0.00 C ATOM 124 CG LYS A 12 -8.118 8.528 4.838 1.00 0.00 C ATOM 125 CD LYS A 12 -8.071 7.890 6.222 1.00 0.00 C ATOM 126 CE LYS A 12 -9.384 8.158 6.943 1.00 0.00 C ATOM 127 NZ LYS A 12 -9.398 7.478 8.245 1.00 0.00 N ATOM 0 H LYS A 12 -5.367 7.116 2.411 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.057 8.118 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.803 6.966 4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.009 8.506 4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.104 9.615 4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.043 8.259 4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.903 6.817 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.238 8.298 6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.517 9.231 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.219 7.810 6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.300 7.669 8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.292 6.453 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.612 7.830 8.829 1.00 0.00 H new ATOM 141 N VAL A 13 -5.577 10.214 1.988 1.00 0.00 N ATOM 142 CA VAL A 13 -5.085 11.535 1.657 1.00 0.00 C ATOM 143 C VAL A 13 -3.864 11.360 0.758 1.00 0.00 C ATOM 144 O VAL A 13 -3.294 10.271 0.726 1.00 0.00 O ATOM 145 CB VAL A 13 -4.704 12.339 2.915 1.00 0.00 C ATOM 146 CG1 VAL A 13 -5.933 12.712 3.743 1.00 0.00 C ATOM 147 CG2 VAL A 13 -3.679 11.642 3.825 1.00 0.00 C ATOM 0 H VAL A 13 -4.823 9.527 1.991 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.871 12.096 1.151 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.230 13.239 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.622 13.278 4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.607 13.320 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.447 11.805 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.467 12.276 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.084 10.689 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.758 11.466 3.268 1.00 0.00 H new ATOM 157 N LYS A 14 -3.456 12.419 0.057 1.00 0.00 N ATOM 158 CA LYS A 14 -2.288 12.435 -0.824 1.00 0.00 C ATOM 159 C LYS A 14 -1.057 12.013 -0.016 1.00 0.00 C ATOM 160 O LYS A 14 -0.924 12.421 1.143 1.00 0.00 O ATOM 161 CB LYS A 14 -2.200 13.855 -1.399 1.00 0.00 C ATOM 162 CG LYS A 14 -0.906 14.201 -2.137 1.00 0.00 C ATOM 163 CD LYS A 14 -1.091 15.546 -2.839 1.00 0.00 C ATOM 164 CE LYS A 14 0.190 15.967 -3.552 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.022 17.168 -4.384 1.00 0.00 N ATOM 0 H LYS A 14 -3.943 13.315 0.088 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.357 11.732 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.035 14.001 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.330 14.565 -0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.073 14.251 -1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.665 13.425 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.907 15.476 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.373 16.306 -2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.969 16.166 -2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.545 15.148 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.869 17.426 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.747 16.969 -5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.337 17.956 -3.783 1.00 0.00 H new ATOM 179 N ILE A 15 -0.150 11.228 -0.605 1.00 0.00 N ATOM 180 CA ILE A 15 1.056 10.739 0.067 1.00 0.00 C ATOM 181 C ILE A 15 2.262 11.034 -0.829 1.00 0.00 C ATOM 182 O ILE A 15 2.435 10.348 -1.836 1.00 0.00 O ATOM 183 CB ILE A 15 0.950 9.232 0.428 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.444 8.871 0.991 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.077 8.884 1.415 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.637 7.409 1.388 1.00 0.00 C ATOM 0 H ILE A 15 -0.234 10.911 -1.571 1.00 0.00 H new ATOM 0 HA ILE A 15 1.178 11.259 1.017 1.00 0.00 H new ATOM 0 HB ILE A 15 1.068 8.635 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.636 9.494 1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.195 9.128 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.016 7.828 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.042 9.087 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.972 9.489 2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.648 7.266 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.484 6.772 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.084 7.144 2.162 1.00 0.00 H new ATOM 198 N PRO A 16 3.102 12.033 -0.510 1.00 0.00 N ATOM 199 CA PRO A 16 4.258 12.348 -1.338 1.00 0.00 C ATOM 200 C PRO A 16 5.278 11.205 -1.326 1.00 0.00 C ATOM 201 O PRO A 16 5.454 10.536 -0.301 1.00 0.00 O ATOM 202 CB PRO A 16 4.809 13.665 -0.795 1.00 0.00 C ATOM 203 CG PRO A 16 4.316 13.728 0.648 1.00 0.00 C ATOM 204 CD PRO A 16 3.021 12.917 0.644 1.00 0.00 C ATOM 0 HA PRO A 16 3.995 12.461 -2.390 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.898 13.688 -0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.447 14.514 -1.374 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.047 13.305 1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.140 14.756 0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.916 12.345 1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.152 13.571 0.574 1.00 0.00 H new ATOM 212 N GLU A 17 5.969 10.989 -2.449 1.00 0.00 N ATOM 213 CA GLU A 17 6.960 9.925 -2.577 1.00 0.00 C ATOM 214 C GLU A 17 8.046 10.053 -1.504 1.00 0.00 C ATOM 215 O GLU A 17 8.495 11.154 -1.166 1.00 0.00 O ATOM 216 CB GLU A 17 7.565 9.918 -3.991 1.00 0.00 C ATOM 217 CG GLU A 17 8.659 8.850 -4.139 1.00 0.00 C ATOM 218 CD GLU A 17 9.417 8.906 -5.458 1.00 0.00 C ATOM 219 OE1 GLU A 17 8.878 9.415 -6.466 1.00 0.00 O ATOM 220 OE2 GLU A 17 10.605 8.509 -5.425 1.00 0.00 O ATOM 0 H GLU A 17 5.855 11.549 -3.294 1.00 0.00 H new ATOM 0 HA GLU A 17 6.459 8.969 -2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.778 9.735 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.984 10.900 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.370 8.960 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.204 7.865 -4.037 1.00 0.00 H new ATOM 227 N GLY A 18 8.498 8.913 -0.978 1.00 0.00 N ATOM 228 CA GLY A 18 9.537 8.868 0.038 1.00 0.00 C ATOM 229 C GLY A 18 8.993 8.902 1.461 1.00 0.00 C ATOM 230 O GLY A 18 9.783 8.924 2.404 1.00 0.00 O ATOM 0 H GLY A 18 8.148 7.994 -1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.127 7.961 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.212 9.712 -0.105 1.00 0.00 H new ATOM 234 N THR A 19 7.674 8.910 1.623 1.00 0.00 N ATOM 235 CA THR A 19 6.976 8.947 2.903 1.00 0.00 C ATOM 236 C THR A 19 6.570 7.528 3.293 1.00 0.00 C ATOM 237 O THR A 19 6.355 6.679 2.423 1.00 0.00 O ATOM 238 CB THR A 19 5.744 9.850 2.739 1.00 0.00 C ATOM 239 OG1 THR A 19 6.140 11.097 2.209 1.00 0.00 O ATOM 240 CG2 THR A 19 4.986 10.124 4.034 1.00 0.00 C ATOM 0 H THR A 19 7.034 8.890 0.829 1.00 0.00 H new ATOM 0 HA THR A 19 7.614 9.344 3.692 1.00 0.00 H new ATOM 0 HB THR A 19 5.073 9.306 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.014 11.094 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.132 10.769 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.635 9.182 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.648 10.617 4.746 1.00 0.00 H new ATOM 248 N ILE A 20 6.473 7.256 4.594 1.00 0.00 N ATOM 249 CA ILE A 20 6.080 5.952 5.096 1.00 0.00 C ATOM 250 C ILE A 20 4.561 5.964 5.287 1.00 0.00 C ATOM 251 O ILE A 20 3.973 6.968 5.709 1.00 0.00 O ATOM 252 CB ILE A 20 6.831 5.616 6.398 1.00 0.00 C ATOM 253 CG1 ILE A 20 8.336 5.971 6.363 1.00 0.00 C ATOM 254 CG2 ILE A 20 6.642 4.128 6.742 1.00 0.00 C ATOM 255 CD1 ILE A 20 9.164 5.257 5.288 1.00 0.00 C ATOM 0 H ILE A 20 6.666 7.939 5.326 1.00 0.00 H new ATOM 0 HA ILE A 20 6.346 5.169 4.386 1.00 0.00 H new ATOM 0 HB ILE A 20 6.394 6.242 7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.433 7.047 6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.767 5.743 7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.176 3.897 7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.581 3.917 6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.035 3.514 5.932 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.203 5.580 5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.109 4.179 5.442 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.770 5.503 4.302 1.00 0.00 H new ATOM 267 N LEU A 21 3.926 4.842 4.956 1.00 0.00 N ATOM 268 CA LEU A 21 2.492 4.642 5.064 1.00 0.00 C ATOM 269 C LEU A 21 2.079 4.477 6.524 1.00 0.00 C ATOM 270 O LEU A 21 2.811 3.912 7.347 1.00 0.00 O ATOM 271 CB LEU A 21 2.078 3.405 4.254 1.00 0.00 C ATOM 272 CG LEU A 21 2.070 3.581 2.723 1.00 0.00 C ATOM 273 CD1 LEU A 21 1.599 2.287 2.054 1.00 0.00 C ATOM 274 CD2 LEU A 21 1.144 4.714 2.279 1.00 0.00 C ATOM 0 H LEU A 21 4.416 4.024 4.594 1.00 0.00 H new ATOM 0 HA LEU A 21 1.986 5.520 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.754 2.587 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.080 3.103 4.572 1.00 0.00 H new ATOM 0 HG LEU A 21 3.089 3.826 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.595 2.417 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.274 1.474 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.591 2.047 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.171 4.801 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.125 4.499 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.475 5.651 2.726 1.00 0.00 H new ATOM 286 N THR A 22 0.859 4.905 6.826 1.00 0.00 N ATOM 287 CA THR A 22 0.212 4.871 8.131 1.00 0.00 C ATOM 288 C THR A 22 -1.277 4.595 7.916 1.00 0.00 C ATOM 289 O THR A 22 -1.790 4.840 6.819 1.00 0.00 O ATOM 290 CB THR A 22 0.383 6.246 8.813 1.00 0.00 C ATOM 291 OG1 THR A 22 0.051 7.291 7.919 1.00 0.00 O ATOM 292 CG2 THR A 22 1.809 6.473 9.310 1.00 0.00 C ATOM 0 H THR A 22 0.253 5.314 6.114 1.00 0.00 H new ATOM 0 HA THR A 22 0.654 4.097 8.759 1.00 0.00 H new ATOM 0 HB THR A 22 -0.291 6.249 9.670 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.164 8.154 8.369 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.878 7.453 9.782 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.068 5.702 10.036 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.500 6.426 8.468 1.00 0.00 H new ATOM 300 N MET A 23 -1.984 4.086 8.933 1.00 0.00 N ATOM 301 CA MET A 23 -3.422 3.840 8.814 1.00 0.00 C ATOM 302 C MET A 23 -4.107 5.198 8.606 1.00 0.00 C ATOM 303 O MET A 23 -5.089 5.306 7.884 1.00 0.00 O ATOM 304 CB MET A 23 -4.016 3.212 10.082 1.00 0.00 C ATOM 305 CG MET A 23 -3.916 1.692 10.163 1.00 0.00 C ATOM 306 SD MET A 23 -4.725 0.798 8.805 1.00 0.00 S ATOM 307 CE MET A 23 -4.998 -0.799 9.614 1.00 0.00 C ATOM 0 H MET A 23 -1.586 3.839 9.839 1.00 0.00 H new ATOM 0 HA MET A 23 -3.582 3.150 7.986 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.513 3.640 10.950 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.066 3.495 10.150 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.863 1.413 10.186 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.353 1.364 11.106 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.491 -1.479 8.919 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.040 -1.222 9.918 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.628 -0.659 10.493 1.00 0.00 H new ATOM 317 N ASP A 24 -3.538 6.260 9.187 1.00 0.00 N ATOM 318 CA ASP A 24 -4.038 7.630 9.101 1.00 0.00 C ATOM 319 C ASP A 24 -4.104 8.126 7.649 1.00 0.00 C ATOM 320 O ASP A 24 -4.791 9.111 7.376 1.00 0.00 O ATOM 321 CB ASP A 24 -3.139 8.581 9.910 1.00 0.00 C ATOM 322 CG ASP A 24 -3.031 8.250 11.400 1.00 0.00 C ATOM 323 OD1 ASP A 24 -4.038 7.852 12.022 1.00 0.00 O ATOM 324 OD2 ASP A 24 -1.908 8.383 11.951 1.00 0.00 O ATOM 0 H ASP A 24 -2.689 6.183 9.748 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.047 7.626 9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.139 8.570 9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.521 9.597 9.805 1.00 0.00 H new ATOM 329 N MET A 25 -3.407 7.466 6.715 1.00 0.00 N ATOM 330 CA MET A 25 -3.370 7.808 5.298 1.00 0.00 C ATOM 331 C MET A 25 -3.886 6.662 4.421 1.00 0.00 C ATOM 332 O MET A 25 -3.733 6.721 3.203 1.00 0.00 O ATOM 333 CB MET A 25 -1.956 8.230 4.883 1.00 0.00 C ATOM 334 CG MET A 25 -1.458 9.425 5.699 1.00 0.00 C ATOM 335 SD MET A 25 0.044 10.213 5.052 1.00 0.00 S ATOM 336 CE MET A 25 1.178 8.801 4.980 1.00 0.00 C ATOM 0 H MET A 25 -2.835 6.652 6.939 1.00 0.00 H new ATOM 0 HA MET A 25 -4.040 8.654 5.144 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.273 7.391 5.013 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.949 8.485 3.823 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.251 10.171 5.747 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.268 9.096 6.721 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.165 9.143 4.668 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.248 8.340 5.965 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.804 8.070 4.263 1.00 0.00 H new ATOM 346 N LEU A 26 -4.499 5.624 4.994 1.00 0.00 N ATOM 347 CA LEU A 26 -5.024 4.476 4.253 1.00 0.00 C ATOM 348 C LEU A 26 -6.461 4.190 4.672 1.00 0.00 C ATOM 349 O LEU A 26 -6.838 4.381 5.827 1.00 0.00 O ATOM 350 CB LEU A 26 -4.169 3.226 4.519 1.00 0.00 C ATOM 351 CG LEU A 26 -2.718 3.276 4.005 1.00 0.00 C ATOM 352 CD1 LEU A 26 -1.981 2.024 4.488 1.00 0.00 C ATOM 353 CD2 LEU A 26 -2.650 3.329 2.479 1.00 0.00 C ATOM 0 H LEU A 26 -4.647 5.557 6.001 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.993 4.717 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.146 3.048 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.665 2.368 4.065 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.255 4.183 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.952 2.047 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.986 1.996 5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.480 1.136 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.608 3.363 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.127 2.442 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.167 4.220 2.122 1.00 0.00 H new ATOM 365 N THR A 27 -7.283 3.714 3.745 1.00 0.00 N ATOM 366 CA THR A 27 -8.673 3.378 4.010 1.00 0.00 C ATOM 367 C THR A 27 -9.093 2.291 3.016 1.00 0.00 C ATOM 368 O THR A 27 -8.389 2.049 2.032 1.00 0.00 O ATOM 369 CB THR A 27 -9.521 4.668 3.994 1.00 0.00 C ATOM 370 OG1 THR A 27 -10.847 4.411 4.392 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.565 5.387 2.646 1.00 0.00 C ATOM 0 H THR A 27 -6.999 3.549 2.779 1.00 0.00 H new ATOM 0 HA THR A 27 -8.829 2.957 5.003 1.00 0.00 H new ATOM 0 HB THR A 27 -9.015 5.326 4.701 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.361 5.245 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.183 6.281 2.730 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.555 5.671 2.352 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.989 4.723 1.893 1.00 0.00 H new ATOM 379 N VAL A 28 -10.206 1.604 3.282 1.00 0.00 N ATOM 380 CA VAL A 28 -10.724 0.540 2.433 1.00 0.00 C ATOM 381 C VAL A 28 -11.964 1.083 1.742 1.00 0.00 C ATOM 382 O VAL A 28 -13.017 1.237 2.377 1.00 0.00 O ATOM 383 CB VAL A 28 -10.989 -0.756 3.228 1.00 0.00 C ATOM 384 CG1 VAL A 28 -11.485 -1.862 2.285 1.00 0.00 C ATOM 385 CG2 VAL A 28 -9.730 -1.195 3.997 1.00 0.00 C ATOM 0 H VAL A 28 -10.779 1.778 4.108 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.988 0.251 1.683 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.769 -0.562 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.669 -2.772 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.409 -1.543 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.729 -2.058 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.942 -2.110 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.918 -1.376 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.437 -0.410 4.694 1.00 0.00 H new ATOM 395 N LYS A 29 -11.818 1.471 0.478 1.00 0.00 N ATOM 396 CA LYS A 29 -12.924 1.996 -0.305 1.00 0.00 C ATOM 397 C LYS A 29 -13.846 0.839 -0.646 1.00 0.00 C ATOM 398 O LYS A 29 -13.388 -0.213 -1.099 1.00 0.00 O ATOM 399 CB LYS A 29 -12.415 2.631 -1.610 1.00 0.00 C ATOM 400 CG LYS A 29 -12.611 4.151 -1.678 1.00 0.00 C ATOM 401 CD LYS A 29 -14.079 4.575 -1.840 1.00 0.00 C ATOM 402 CE LYS A 29 -14.253 5.656 -2.917 1.00 0.00 C ATOM 403 NZ LYS A 29 -13.511 6.897 -2.614 1.00 0.00 N ATOM 0 H LYS A 29 -10.933 1.429 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.446 2.761 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.355 2.406 -1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.930 2.170 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.209 4.602 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.033 4.547 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.681 3.704 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.455 4.949 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.916 5.263 -3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.313 5.889 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.680 7.595 -3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.836 7.283 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.494 6.688 -2.557 1.00 0.00 H new ATOM 417 N VAL A 30 -15.132 1.021 -0.383 1.00 0.00 N ATOM 418 CA VAL A 30 -16.159 0.043 -0.685 1.00 0.00 C ATOM 419 C VAL A 30 -16.322 0.097 -2.204 1.00 0.00 C ATOM 420 O VAL A 30 -16.536 1.188 -2.737 1.00 0.00 O ATOM 421 CB VAL A 30 -17.462 0.394 0.073 1.00 0.00 C ATOM 422 CG1 VAL A 30 -17.333 -0.097 1.516 1.00 0.00 C ATOM 423 CG2 VAL A 30 -17.823 1.896 0.099 1.00 0.00 C ATOM 0 H VAL A 30 -15.494 1.869 0.054 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.900 -0.967 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 30 -18.266 -0.099 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -18.244 0.143 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.180 -1.176 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -16.483 0.392 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -18.751 2.038 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -17.022 2.454 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -17.951 2.257 -0.921 1.00 0.00 H new ATOM 433 N GLY A 31 -16.156 -1.013 -2.926 1.00 0.00 N ATOM 434 CA GLY A 31 -16.314 -0.969 -4.367 1.00 0.00 C ATOM 435 C GLY A 31 -15.823 -2.225 -5.054 1.00 0.00 C ATOM 436 O GLY A 31 -16.578 -3.190 -5.205 1.00 0.00 O ATOM 0 H GLY A 31 -15.918 -1.928 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.366 -0.818 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.771 -0.110 -4.761 1.00 0.00 H new ATOM 440 N GLU A 32 -14.571 -2.230 -5.502 1.00 0.00 N ATOM 441 CA GLU A 32 -13.992 -3.370 -6.195 1.00 0.00 C ATOM 442 C GLU A 32 -12.560 -3.640 -5.734 1.00 0.00 C ATOM 443 O GLU A 32 -11.871 -2.706 -5.326 1.00 0.00 O ATOM 444 CB GLU A 32 -14.123 -3.203 -7.725 1.00 0.00 C ATOM 445 CG GLU A 32 -13.730 -1.838 -8.317 1.00 0.00 C ATOM 446 CD GLU A 32 -14.841 -0.780 -8.237 1.00 0.00 C ATOM 447 OE1 GLU A 32 -15.962 -1.009 -8.753 1.00 0.00 O ATOM 448 OE2 GLU A 32 -14.600 0.318 -7.692 1.00 0.00 O ATOM 0 H GLU A 32 -13.932 -1.443 -5.393 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.559 -4.263 -5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.511 -3.968 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.158 -3.406 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.850 -1.466 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.446 -1.974 -9.361 1.00 0.00 H new ATOM 455 N PRO A 33 -12.082 -4.896 -5.841 1.00 0.00 N ATOM 456 CA PRO A 33 -10.744 -5.313 -5.425 1.00 0.00 C ATOM 457 C PRO A 33 -9.595 -4.787 -6.302 1.00 0.00 C ATOM 458 O PRO A 33 -8.504 -5.361 -6.275 1.00 0.00 O ATOM 459 CB PRO A 33 -10.812 -6.847 -5.387 1.00 0.00 C ATOM 460 CG PRO A 33 -11.812 -7.186 -6.480 1.00 0.00 C ATOM 461 CD PRO A 33 -12.829 -6.062 -6.315 1.00 0.00 C ATOM 0 HA PRO A 33 -10.496 -4.879 -4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.838 -7.297 -5.581 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.143 -7.210 -4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.355 -7.185 -7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.260 -8.169 -6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.327 -5.846 -7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.605 -6.342 -5.603 1.00 0.00 H new ATOM 469 N LYS A 34 -9.815 -3.785 -7.166 1.00 0.00 N ATOM 470 CA LYS A 34 -8.741 -3.242 -7.996 1.00 0.00 C ATOM 471 C LYS A 34 -7.800 -2.534 -7.025 1.00 0.00 C ATOM 472 O LYS A 34 -8.201 -1.558 -6.384 1.00 0.00 O ATOM 473 CB LYS A 34 -9.266 -2.388 -9.175 1.00 0.00 C ATOM 474 CG LYS A 34 -9.941 -1.046 -8.837 1.00 0.00 C ATOM 475 CD LYS A 34 -8.970 0.154 -8.864 1.00 0.00 C ATOM 476 CE LYS A 34 -8.783 0.691 -10.282 1.00 0.00 C ATOM 477 NZ LYS A 34 -7.665 1.647 -10.396 1.00 0.00 N ATOM 0 H LYS A 34 -10.722 -3.340 -7.304 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.190 -4.018 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.428 -2.184 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.980 -2.992 -9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.749 -0.866 -9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.394 -1.115 -7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.352 0.947 -8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.005 -0.148 -8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.610 -0.144 -10.960 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.704 1.178 -10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.588 1.976 -11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.839 2.460 -9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.779 1.180 -10.117 1.00 0.00 H new ATOM 491 N GLY A 35 -6.577 -3.028 -6.872 1.00 0.00 N ATOM 492 CA GLY A 35 -5.582 -2.478 -5.965 1.00 0.00 C ATOM 493 C GLY A 35 -5.175 -3.522 -4.934 1.00 0.00 C ATOM 494 O GLY A 35 -5.410 -4.722 -5.119 1.00 0.00 O ATOM 0 H GLY A 35 -6.244 -3.842 -7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.707 -2.152 -6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.984 -1.598 -5.463 1.00 0.00 H new ATOM 498 N TYR A 36 -4.492 -3.074 -3.886 1.00 0.00 N ATOM 499 CA TYR A 36 -4.010 -3.943 -2.829 1.00 0.00 C ATOM 500 C TYR A 36 -5.156 -4.500 -1.966 1.00 0.00 C ATOM 501 O TYR A 36 -6.064 -3.738 -1.614 1.00 0.00 O ATOM 502 CB TYR A 36 -3.002 -3.161 -1.977 1.00 0.00 C ATOM 503 CG TYR A 36 -1.954 -4.050 -1.356 1.00 0.00 C ATOM 504 CD1 TYR A 36 -1.010 -4.670 -2.192 1.00 0.00 C ATOM 505 CD2 TYR A 36 -1.929 -4.283 0.030 1.00 0.00 C ATOM 506 CE1 TYR A 36 -0.062 -5.548 -1.652 1.00 0.00 C ATOM 507 CE2 TYR A 36 -0.939 -5.111 0.582 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.033 -5.787 -0.263 1.00 0.00 C ATOM 509 OH TYR A 36 0.905 -6.625 0.259 1.00 0.00 O ATOM 0 H TYR A 36 -4.258 -2.091 -3.749 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.523 -4.809 -3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.514 -2.409 -2.597 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.534 -2.628 -1.189 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.016 -4.469 -3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.670 -3.826 0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.647 -6.042 -2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.871 -5.231 1.653 1.00 0.00 H new ATOM 0 HH TYR A 36 0.789 -6.681 1.231 1.00 0.00 H new ATOM 519 N PRO A 37 -5.124 -5.793 -1.577 1.00 0.00 N ATOM 520 CA PRO A 37 -6.164 -6.391 -0.746 1.00 0.00 C ATOM 521 C PRO A 37 -6.244 -5.665 0.607 1.00 0.00 C ATOM 522 O PRO A 37 -5.209 -5.448 1.245 1.00 0.00 O ATOM 523 CB PRO A 37 -5.794 -7.868 -0.563 1.00 0.00 C ATOM 524 CG PRO A 37 -4.327 -7.959 -0.979 1.00 0.00 C ATOM 525 CD PRO A 37 -4.120 -6.787 -1.930 1.00 0.00 C ATOM 0 HA PRO A 37 -7.145 -6.303 -1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.932 -8.185 0.471 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.421 -8.512 -1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.666 -7.889 -0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.113 -8.909 -1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.115 -6.377 -1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.233 -7.103 -2.967 1.00 0.00 H new ATOM 533 N PRO A 38 -7.451 -5.338 1.102 1.00 0.00 N ATOM 534 CA PRO A 38 -7.600 -4.637 2.368 1.00 0.00 C ATOM 535 C PRO A 38 -7.238 -5.445 3.605 1.00 0.00 C ATOM 536 O PRO A 38 -7.099 -4.858 4.672 1.00 0.00 O ATOM 537 CB PRO A 38 -9.041 -4.154 2.395 1.00 0.00 C ATOM 538 CG PRO A 38 -9.793 -5.130 1.502 1.00 0.00 C ATOM 539 CD PRO A 38 -8.746 -5.537 0.467 1.00 0.00 C ATOM 0 HA PRO A 38 -6.883 -3.817 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.441 -4.157 3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.123 -3.133 2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.159 -5.990 2.064 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.660 -4.662 1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.878 -6.577 0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.835 -4.932 -0.435 1.00 0.00 H new ATOM 547 N GLU A 39 -7.090 -6.763 3.506 1.00 0.00 N ATOM 548 CA GLU A 39 -6.723 -7.557 4.670 1.00 0.00 C ATOM 549 C GLU A 39 -5.225 -7.406 4.920 1.00 0.00 C ATOM 550 O GLU A 39 -4.774 -7.411 6.067 1.00 0.00 O ATOM 551 CB GLU A 39 -7.118 -9.019 4.464 1.00 0.00 C ATOM 552 CG GLU A 39 -8.644 -9.096 4.390 1.00 0.00 C ATOM 553 CD GLU A 39 -9.128 -10.531 4.281 1.00 0.00 C ATOM 554 OE1 GLU A 39 -9.315 -10.992 3.131 1.00 0.00 O ATOM 555 OE2 GLU A 39 -9.435 -11.141 5.324 1.00 0.00 O ATOM 0 H GLU A 39 -7.217 -7.295 2.645 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.260 -7.201 5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.673 -9.408 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.746 -9.633 5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.075 -8.633 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.996 -8.527 3.530 1.00 0.00 H new ATOM 562 N ASP A 40 -4.444 -7.209 3.861 1.00 0.00 N ATOM 563 CA ASP A 40 -3.001 -7.049 3.924 1.00 0.00 C ATOM 564 C ASP A 40 -2.607 -5.617 4.301 1.00 0.00 C ATOM 565 O ASP A 40 -1.414 -5.315 4.346 1.00 0.00 O ATOM 566 CB ASP A 40 -2.365 -7.447 2.588 1.00 0.00 C ATOM 567 CG ASP A 40 -2.377 -8.951 2.359 1.00 0.00 C ATOM 568 OD1 ASP A 40 -3.427 -9.494 1.952 1.00 0.00 O ATOM 569 OD2 ASP A 40 -1.313 -9.580 2.552 1.00 0.00 O ATOM 0 H ASP A 40 -4.811 -7.155 2.911 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.626 -7.709 4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.899 -6.955 1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.337 -7.087 2.558 1.00 0.00 H new ATOM 574 N ILE A 41 -3.567 -4.735 4.599 1.00 0.00 N ATOM 575 CA ILE A 41 -3.329 -3.342 4.974 1.00 0.00 C ATOM 576 C ILE A 41 -2.336 -3.215 6.138 1.00 0.00 C ATOM 577 O ILE A 41 -1.571 -2.254 6.174 1.00 0.00 O ATOM 578 CB ILE A 41 -4.682 -2.653 5.252 1.00 0.00 C ATOM 579 CG1 ILE A 41 -4.527 -1.119 5.331 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.347 -3.221 6.519 1.00 0.00 C ATOM 581 CD1 ILE A 41 -5.868 -0.375 5.348 1.00 0.00 C ATOM 0 H ILE A 41 -4.557 -4.980 4.585 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.850 -2.825 4.142 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.342 -2.869 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.966 -0.863 6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.939 -0.776 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.298 -2.716 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.521 -4.289 6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.693 -3.061 7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.688 0.699 5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.422 -0.603 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.449 -0.691 6.214 1.00 0.00 H new ATOM 593 N PHE A 42 -2.310 -4.181 7.064 1.00 0.00 N ATOM 594 CA PHE A 42 -1.397 -4.173 8.203 1.00 0.00 C ATOM 595 C PHE A 42 0.046 -4.100 7.697 1.00 0.00 C ATOM 596 O PHE A 42 0.851 -3.315 8.190 1.00 0.00 O ATOM 597 CB PHE A 42 -1.614 -5.434 9.055 1.00 0.00 C ATOM 598 CG PHE A 42 -3.024 -5.686 9.575 1.00 0.00 C ATOM 599 CD1 PHE A 42 -3.873 -4.622 9.944 1.00 0.00 C ATOM 600 CD2 PHE A 42 -3.467 -7.013 9.755 1.00 0.00 C ATOM 601 CE1 PHE A 42 -5.137 -4.881 10.504 1.00 0.00 C ATOM 602 CE2 PHE A 42 -4.729 -7.270 10.317 1.00 0.00 C ATOM 603 CZ PHE A 42 -5.560 -6.205 10.707 1.00 0.00 C ATOM 0 H PHE A 42 -2.927 -4.993 7.040 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.594 -3.301 8.827 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.312 -6.298 8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.942 -5.384 9.911 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.551 -3.602 9.796 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.833 -7.836 9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.783 -4.060 10.778 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.062 -8.289 10.450 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.520 -6.404 11.161 1.00 0.00 H new ATOM 613 N ASN A 43 0.355 -4.889 6.664 1.00 0.00 N ATOM 614 CA ASN A 43 1.674 -4.952 6.048 1.00 0.00 C ATOM 615 C ASN A 43 2.026 -3.622 5.397 1.00 0.00 C ATOM 616 O ASN A 43 3.193 -3.242 5.388 1.00 0.00 O ATOM 617 CB ASN A 43 1.756 -6.040 4.963 1.00 0.00 C ATOM 618 CG ASN A 43 1.249 -7.390 5.438 1.00 0.00 C ATOM 619 OD1 ASN A 43 1.982 -8.189 6.003 1.00 0.00 O ATOM 620 ND2 ASN A 43 -0.030 -7.650 5.255 1.00 0.00 N ATOM 0 H ASN A 43 -0.323 -5.513 6.227 1.00 0.00 H new ATOM 0 HA ASN A 43 2.374 -5.189 6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.176 -5.725 4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.791 -6.141 4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.424 -8.530 5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.626 -6.971 4.781 1.00 0.00 H new ATOM 627 N LEU A 44 1.048 -2.933 4.797 1.00 0.00 N ATOM 628 CA LEU A 44 1.294 -1.645 4.154 1.00 0.00 C ATOM 629 C LEU A 44 1.723 -0.608 5.184 1.00 0.00 C ATOM 630 O LEU A 44 2.511 0.270 4.847 1.00 0.00 O ATOM 631 CB LEU A 44 0.045 -1.106 3.431 1.00 0.00 C ATOM 632 CG LEU A 44 -0.344 -1.806 2.118 1.00 0.00 C ATOM 633 CD1 LEU A 44 -1.695 -1.237 1.668 1.00 0.00 C ATOM 634 CD2 LEU A 44 0.690 -1.576 1.010 1.00 0.00 C ATOM 0 H LEU A 44 0.080 -3.250 4.746 1.00 0.00 H new ATOM 0 HA LEU A 44 2.083 -1.813 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.800 -1.172 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.203 -0.048 3.220 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.395 -2.880 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.999 -1.715 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.445 -1.429 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.603 -0.162 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.372 -2.090 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.778 -0.508 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.657 -1.967 1.328 1.00 0.00 H new ATOM 646 N VAL A 45 1.203 -0.673 6.411 1.00 0.00 N ATOM 647 CA VAL A 45 1.512 0.262 7.489 1.00 0.00 C ATOM 648 C VAL A 45 2.942 0.003 7.990 1.00 0.00 C ATOM 649 O VAL A 45 3.191 -0.655 9.006 1.00 0.00 O ATOM 650 CB VAL A 45 0.382 0.240 8.546 1.00 0.00 C ATOM 651 CG1 VAL A 45 0.678 1.130 9.764 1.00 0.00 C ATOM 652 CG2 VAL A 45 -0.920 0.737 7.901 1.00 0.00 C ATOM 0 H VAL A 45 0.539 -1.396 6.687 1.00 0.00 H new ATOM 0 HA VAL A 45 1.527 1.297 7.149 1.00 0.00 H new ATOM 0 HB VAL A 45 0.298 -0.789 8.895 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.152 1.071 10.468 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.592 0.789 10.251 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.805 2.162 9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.721 0.724 8.641 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.780 1.754 7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.185 0.086 7.068 1.00 0.00 H new ATOM 662 N GLY A 46 3.890 0.576 7.251 1.00 0.00 N ATOM 663 CA GLY A 46 5.324 0.508 7.463 1.00 0.00 C ATOM 664 C GLY A 46 6.114 0.538 6.156 1.00 0.00 C ATOM 665 O GLY A 46 7.344 0.551 6.202 1.00 0.00 O ATOM 0 H GLY A 46 3.654 1.138 6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.635 1.344 8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.564 -0.405 8.007 1.00 0.00 H new ATOM 669 N LYS A 47 5.456 0.519 4.988 1.00 0.00 N ATOM 670 CA LYS A 47 6.154 0.551 3.702 1.00 0.00 C ATOM 671 C LYS A 47 6.296 1.996 3.248 1.00 0.00 C ATOM 672 O LYS A 47 5.550 2.865 3.703 1.00 0.00 O ATOM 673 CB LYS A 47 5.433 -0.314 2.650 1.00 0.00 C ATOM 674 CG LYS A 47 5.278 -1.760 3.143 1.00 0.00 C ATOM 675 CD LYS A 47 5.016 -2.779 2.027 1.00 0.00 C ATOM 676 CE LYS A 47 4.811 -4.167 2.655 1.00 0.00 C ATOM 677 NZ LYS A 47 4.690 -5.232 1.639 1.00 0.00 N ATOM 0 H LYS A 47 4.440 0.482 4.911 1.00 0.00 H new ATOM 0 HA LYS A 47 7.149 0.122 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.451 0.109 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.995 -0.302 1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.183 -2.049 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.457 -1.802 3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.135 -2.491 1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.855 -2.800 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.649 -4.392 3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.913 -4.154 3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.553 -6.148 2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.875 -5.034 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.557 -5.264 1.065 1.00 0.00 H new ATOM 691 N LYS A 48 7.281 2.275 2.397 1.00 0.00 N ATOM 692 CA LYS A 48 7.531 3.614 1.866 1.00 0.00 C ATOM 693 C LYS A 48 6.919 3.676 0.473 1.00 0.00 C ATOM 694 O LYS A 48 7.015 2.688 -0.257 1.00 0.00 O ATOM 695 CB LYS A 48 9.044 3.879 1.826 1.00 0.00 C ATOM 696 CG LYS A 48 9.397 5.274 1.287 1.00 0.00 C ATOM 697 CD LYS A 48 10.908 5.530 1.232 1.00 0.00 C ATOM 698 CE LYS A 48 11.483 6.077 2.543 1.00 0.00 C ATOM 699 NZ LYS A 48 12.923 6.384 2.407 1.00 0.00 N ATOM 0 H LYS A 48 7.935 1.571 2.053 1.00 0.00 H new ATOM 0 HA LYS A 48 7.081 4.381 2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.453 3.770 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.523 3.123 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.978 5.388 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.929 6.030 1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.417 4.600 0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.120 6.236 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.942 6.978 2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.337 5.347 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.286 6.753 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.440 5.518 2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.057 7.098 1.663 1.00 0.00 H new ATOM 713 N VAL A 49 6.267 4.785 0.124 1.00 0.00 N ATOM 714 CA VAL A 49 5.678 4.930 -1.202 1.00 0.00 C ATOM 715 C VAL A 49 6.794 5.200 -2.213 1.00 0.00 C ATOM 716 O VAL A 49 7.716 5.975 -1.933 1.00 0.00 O ATOM 717 CB VAL A 49 4.607 6.035 -1.251 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.329 5.565 -0.561 1.00 0.00 C ATOM 719 CG2 VAL A 49 5.017 7.360 -0.605 1.00 0.00 C ATOM 0 H VAL A 49 6.135 5.589 0.738 1.00 0.00 H new ATOM 0 HA VAL A 49 5.166 4.001 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 49 4.459 6.222 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.581 6.356 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.948 4.678 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.545 5.325 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.198 8.075 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.248 7.195 0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.897 7.755 -1.112 1.00 0.00 H new ATOM 729 N LEU A 50 6.708 4.546 -3.372 1.00 0.00 N ATOM 730 CA LEU A 50 7.667 4.670 -4.467 1.00 0.00 C ATOM 731 C LEU A 50 7.291 5.803 -5.417 1.00 0.00 C ATOM 732 O LEU A 50 8.120 6.176 -6.244 1.00 0.00 O ATOM 733 CB LEU A 50 7.725 3.362 -5.275 1.00 0.00 C ATOM 734 CG LEU A 50 8.268 2.162 -4.489 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.173 0.910 -5.362 1.00 0.00 C ATOM 736 CD2 LEU A 50 9.714 2.359 -4.011 1.00 0.00 C ATOM 0 H LEU A 50 5.948 3.898 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 50 8.638 4.886 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.723 3.124 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.349 3.519 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 50 7.658 2.055 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.557 0.052 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.132 0.732 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.762 1.052 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.039 1.475 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.364 2.511 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.766 3.231 -3.359 1.00 0.00 H new ATOM 748 N VAL A 51 6.072 6.335 -5.309 1.00 0.00 N ATOM 749 CA VAL A 51 5.573 7.418 -6.141 1.00 0.00 C ATOM 750 C VAL A 51 4.692 8.324 -5.286 1.00 0.00 C ATOM 751 O VAL A 51 4.222 7.914 -4.222 1.00 0.00 O ATOM 752 CB VAL A 51 4.767 6.856 -7.340 1.00 0.00 C ATOM 753 CG1 VAL A 51 5.585 5.928 -8.248 1.00 0.00 C ATOM 754 CG2 VAL A 51 3.505 6.092 -6.904 1.00 0.00 C ATOM 0 H VAL A 51 5.391 6.012 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 51 6.411 7.989 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 51 4.486 7.747 -7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.957 5.573 -9.065 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.436 6.475 -8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.944 5.077 -7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.981 5.722 -7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.789 5.251 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.849 6.761 -6.347 1.00 0.00 H new ATOM 764 N THR A 52 4.476 9.558 -5.734 1.00 0.00 N ATOM 765 CA THR A 52 3.621 10.515 -5.050 1.00 0.00 C ATOM 766 C THR A 52 2.194 10.031 -5.328 1.00 0.00 C ATOM 767 O THR A 52 1.739 10.085 -6.468 1.00 0.00 O ATOM 768 CB THR A 52 3.894 11.931 -5.588 1.00 0.00 C ATOM 769 OG1 THR A 52 5.287 12.192 -5.491 1.00 0.00 O ATOM 770 CG2 THR A 52 3.134 13.043 -4.854 1.00 0.00 C ATOM 0 H THR A 52 4.895 9.922 -6.590 1.00 0.00 H new ATOM 0 HA THR A 52 3.799 10.573 -3.976 1.00 0.00 H new ATOM 0 HB THR A 52 3.540 11.944 -6.619 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.476 13.091 -5.832 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.384 14.007 -5.296 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.061 12.870 -4.942 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.416 13.043 -3.801 1.00 0.00 H new ATOM 778 N VAL A 53 1.536 9.439 -4.339 1.00 0.00 N ATOM 779 CA VAL A 53 0.175 8.936 -4.447 1.00 0.00 C ATOM 780 C VAL A 53 -0.772 10.137 -4.288 1.00 0.00 C ATOM 781 O VAL A 53 -0.447 11.077 -3.557 1.00 0.00 O ATOM 782 CB VAL A 53 -0.041 7.870 -3.350 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.412 7.219 -3.477 1.00 0.00 C ATOM 784 CG2 VAL A 53 0.993 6.730 -3.370 1.00 0.00 C ATOM 0 H VAL A 53 1.946 9.292 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.020 8.463 -5.409 1.00 0.00 H new ATOM 0 HB VAL A 53 0.062 8.423 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.535 6.473 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.186 7.980 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.497 6.737 -4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.772 6.024 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.949 6.216 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.992 7.142 -3.225 1.00 0.00 H new ATOM 794 N GLU A 54 -1.892 10.174 -5.013 1.00 0.00 N ATOM 795 CA GLU A 54 -2.866 11.266 -4.903 1.00 0.00 C ATOM 796 C GLU A 54 -3.902 10.906 -3.839 1.00 0.00 C ATOM 797 O GLU A 54 -3.940 9.789 -3.323 1.00 0.00 O ATOM 798 CB GLU A 54 -3.578 11.518 -6.248 1.00 0.00 C ATOM 799 CG GLU A 54 -2.849 12.565 -7.091 1.00 0.00 C ATOM 800 CD GLU A 54 -3.733 13.089 -8.221 1.00 0.00 C ATOM 801 OE1 GLU A 54 -4.071 12.308 -9.141 1.00 0.00 O ATOM 802 OE2 GLU A 54 -4.061 14.298 -8.236 1.00 0.00 O ATOM 0 H GLU A 54 -2.150 9.454 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.336 12.176 -4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.642 10.584 -6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.600 11.849 -6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.540 13.395 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.942 12.129 -7.510 1.00 0.00 H new ATOM 809 N GLU A 55 -4.733 11.871 -3.464 1.00 0.00 N ATOM 810 CA GLU A 55 -5.787 11.647 -2.494 1.00 0.00 C ATOM 811 C GLU A 55 -6.814 10.739 -3.176 1.00 0.00 C ATOM 812 O GLU A 55 -7.138 10.956 -4.344 1.00 0.00 O ATOM 813 CB GLU A 55 -6.350 13.014 -2.092 1.00 0.00 C ATOM 814 CG GLU A 55 -7.417 12.948 -0.998 1.00 0.00 C ATOM 815 CD GLU A 55 -7.327 14.184 -0.099 1.00 0.00 C ATOM 816 OE1 GLU A 55 -6.318 14.339 0.630 1.00 0.00 O ATOM 817 OE2 GLU A 55 -8.255 15.028 -0.132 1.00 0.00 O ATOM 0 H GLU A 55 -4.692 12.824 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.453 11.159 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.531 13.647 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.776 13.494 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.408 12.888 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.283 12.045 -0.402 1.00 0.00 H new ATOM 824 N ASP A 56 -7.331 9.729 -2.476 1.00 0.00 N ATOM 825 CA ASP A 56 -8.316 8.769 -2.992 1.00 0.00 C ATOM 826 C ASP A 56 -7.783 7.884 -4.128 1.00 0.00 C ATOM 827 O ASP A 56 -8.537 7.242 -4.860 1.00 0.00 O ATOM 828 CB ASP A 56 -9.644 9.473 -3.317 1.00 0.00 C ATOM 829 CG ASP A 56 -10.833 8.518 -3.300 1.00 0.00 C ATOM 830 OD1 ASP A 56 -10.904 7.652 -2.392 1.00 0.00 O ATOM 831 OD2 ASP A 56 -11.784 8.738 -4.086 1.00 0.00 O ATOM 0 H ASP A 56 -7.071 9.548 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.521 8.057 -2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.814 10.272 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.572 9.941 -4.299 1.00 0.00 H new ATOM 836 N ASP A 57 -6.462 7.877 -4.317 1.00 0.00 N ATOM 837 CA ASP A 57 -5.788 7.077 -5.332 1.00 0.00 C ATOM 838 C ASP A 57 -5.718 5.626 -4.858 1.00 0.00 C ATOM 839 O ASP A 57 -5.824 5.342 -3.663 1.00 0.00 O ATOM 840 CB ASP A 57 -4.390 7.649 -5.554 1.00 0.00 C ATOM 841 CG ASP A 57 -3.662 7.158 -6.798 1.00 0.00 C ATOM 842 OD1 ASP A 57 -4.252 6.398 -7.598 1.00 0.00 O ATOM 843 OD2 ASP A 57 -2.511 7.610 -7.010 1.00 0.00 O ATOM 0 H ASP A 57 -5.822 8.439 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.334 7.106 -6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.467 8.735 -5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.779 7.414 -4.682 1.00 0.00 H new ATOM 848 N THR A 58 -5.579 4.688 -5.783 1.00 0.00 N ATOM 849 CA THR A 58 -5.516 3.274 -5.460 1.00 0.00 C ATOM 850 C THR A 58 -4.122 2.928 -4.948 1.00 0.00 C ATOM 851 O THR A 58 -3.121 3.297 -5.563 1.00 0.00 O ATOM 852 CB THR A 58 -5.855 2.408 -6.682 1.00 0.00 C ATOM 853 OG1 THR A 58 -7.003 2.886 -7.359 1.00 0.00 O ATOM 854 CG2 THR A 58 -6.136 0.966 -6.260 1.00 0.00 C ATOM 0 H THR A 58 -5.507 4.888 -6.780 1.00 0.00 H new ATOM 0 HA THR A 58 -6.254 3.066 -4.685 1.00 0.00 H new ATOM 0 HB THR A 58 -4.991 2.455 -7.345 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.467 2.136 -7.786 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.374 0.369 -7.140 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.255 0.553 -5.769 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.979 0.947 -5.570 1.00 0.00 H new ATOM 862 N ILE A 59 -4.044 2.268 -3.793 1.00 0.00 N ATOM 863 CA ILE A 59 -2.767 1.850 -3.244 1.00 0.00 C ATOM 864 C ILE A 59 -2.545 0.483 -3.884 1.00 0.00 C ATOM 865 O ILE A 59 -3.444 -0.365 -3.891 1.00 0.00 O ATOM 866 CB ILE A 59 -2.800 1.825 -1.705 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.984 3.251 -1.131 1.00 0.00 C ATOM 868 CG2 ILE A 59 -1.540 1.154 -1.123 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.736 4.141 -1.130 1.00 0.00 C ATOM 0 H ILE A 59 -4.852 2.014 -3.225 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.944 2.530 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.660 1.226 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.764 3.754 -1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.345 3.165 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.598 1.154 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.475 0.127 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.655 1.706 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.984 5.114 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.955 3.672 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.380 4.270 -2.152 1.00 0.00 H new ATOM 881 N MET A 60 -1.375 0.281 -4.477 1.00 0.00 N ATOM 882 CA MET A 60 -1.001 -0.960 -5.133 1.00 0.00 C ATOM 883 C MET A 60 0.401 -1.313 -4.656 1.00 0.00 C ATOM 884 O MET A 60 1.127 -0.449 -4.159 1.00 0.00 O ATOM 885 CB MET A 60 -1.069 -0.823 -6.667 1.00 0.00 C ATOM 886 CG MET A 60 -2.355 -0.156 -7.176 1.00 0.00 C ATOM 887 SD MET A 60 -2.514 -0.069 -8.977 1.00 0.00 S ATOM 888 CE MET A 60 -2.616 -1.828 -9.404 1.00 0.00 C ATOM 0 H MET A 60 -0.645 0.993 -4.515 1.00 0.00 H new ATOM 0 HA MET A 60 -1.696 -1.759 -4.875 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.211 -0.244 -7.009 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.983 -1.813 -7.114 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.211 -0.701 -6.777 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.405 0.856 -6.773 1.00 0.00 H new ATOM 0 HE1 MET A 60 -2.962 -1.933 -10.432 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.631 -2.284 -9.304 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.316 -2.325 -8.733 1.00 0.00 H new ATOM 898 N GLU A 61 0.785 -2.577 -4.789 1.00 0.00 N ATOM 899 CA GLU A 61 2.095 -3.064 -4.378 1.00 0.00 C ATOM 900 C GLU A 61 3.186 -2.382 -5.203 1.00 0.00 C ATOM 901 O GLU A 61 4.249 -2.041 -4.697 1.00 0.00 O ATOM 902 CB GLU A 61 2.122 -4.586 -4.535 1.00 0.00 C ATOM 903 CG GLU A 61 3.212 -5.233 -3.673 1.00 0.00 C ATOM 904 CD GLU A 61 4.620 -5.153 -4.264 1.00 0.00 C ATOM 905 OE1 GLU A 61 4.776 -5.287 -5.494 1.00 0.00 O ATOM 906 OE2 GLU A 61 5.596 -5.163 -3.478 1.00 0.00 O ATOM 0 H GLU A 61 0.188 -3.300 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 61 2.285 -2.822 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.151 -4.996 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.289 -4.840 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.215 -4.754 -2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.957 -6.281 -3.514 1.00 0.00 H new ATOM 913 N GLU A 62 2.861 -2.105 -6.463 1.00 0.00 N ATOM 914 CA GLU A 62 3.707 -1.456 -7.458 1.00 0.00 C ATOM 915 C GLU A 62 4.104 -0.041 -6.997 1.00 0.00 C ATOM 916 O GLU A 62 5.079 0.526 -7.487 1.00 0.00 O ATOM 917 CB GLU A 62 2.962 -1.412 -8.826 1.00 0.00 C ATOM 918 CG GLU A 62 1.842 -2.467 -8.968 1.00 0.00 C ATOM 919 CD GLU A 62 1.320 -2.721 -10.382 1.00 0.00 C ATOM 920 OE1 GLU A 62 0.889 -1.777 -11.080 1.00 0.00 O ATOM 921 OE2 GLU A 62 1.249 -3.915 -10.762 1.00 0.00 O ATOM 0 H GLU A 62 1.943 -2.343 -6.839 1.00 0.00 H new ATOM 0 HA GLU A 62 4.625 -2.032 -7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.531 -0.420 -8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.687 -1.557 -9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.209 -3.411 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.003 -2.159 -8.344 1.00 0.00 H new ATOM 928 N LEU A 63 3.353 0.530 -6.044 1.00 0.00 N ATOM 929 CA LEU A 63 3.564 1.861 -5.497 1.00 0.00 C ATOM 930 C LEU A 63 4.274 1.832 -4.136 1.00 0.00 C ATOM 931 O LEU A 63 4.355 2.891 -3.505 1.00 0.00 O ATOM 932 CB LEU A 63 2.221 2.608 -5.349 1.00 0.00 C ATOM 933 CG LEU A 63 1.228 2.580 -6.529 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.151 3.647 -6.300 1.00 0.00 C ATOM 935 CD2 LEU A 63 1.846 2.759 -7.917 1.00 0.00 C ATOM 0 H LEU A 63 2.555 0.053 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 63 4.208 2.385 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.710 2.201 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.445 3.652 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 63 0.810 1.573 -6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.556 3.635 -7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.377 3.437 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.619 4.629 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.061 2.723 -8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.355 3.722 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.564 1.960 -8.102 1.00 0.00 H new ATOM 947 N VAL A 64 4.753 0.685 -3.638 1.00 0.00 N ATOM 948 CA VAL A 64 5.436 0.596 -2.344 1.00 0.00 C ATOM 949 C VAL A 64 6.734 -0.204 -2.441 1.00 0.00 C ATOM 950 O VAL A 64 6.856 -1.153 -3.214 1.00 0.00 O ATOM 951 CB VAL A 64 4.512 0.042 -1.239 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.464 1.072 -0.809 1.00 0.00 C ATOM 953 CG2 VAL A 64 3.778 -1.251 -1.613 1.00 0.00 C ATOM 0 H VAL A 64 4.677 -0.209 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 64 5.702 1.614 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 64 5.193 -0.185 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.833 0.645 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.964 1.961 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.848 1.344 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.152 -1.568 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.154 -1.075 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.506 -2.031 -1.837 1.00 0.00 H new ATOM 963 N ASP A 65 7.714 0.187 -1.626 1.00 0.00 N ATOM 964 CA ASP A 65 9.037 -0.425 -1.539 1.00 0.00 C ATOM 965 C ASP A 65 8.893 -1.914 -1.201 1.00 0.00 C ATOM 966 O ASP A 65 8.059 -2.274 -0.362 1.00 0.00 O ATOM 967 CB ASP A 65 9.839 0.266 -0.424 1.00 0.00 C ATOM 968 CG ASP A 65 11.066 1.064 -0.843 1.00 0.00 C ATOM 969 OD1 ASP A 65 11.929 0.524 -1.562 1.00 0.00 O ATOM 970 OD2 ASP A 65 11.280 2.167 -0.294 1.00 0.00 O ATOM 0 H ASP A 65 7.602 0.971 -0.983 1.00 0.00 H new ATOM 0 HA ASP A 65 9.552 -0.315 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.166 0.936 0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.158 -0.497 0.285 1.00 0.00 H new