USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 39 GLN : amide:sc= -0.295 K(o=-0.29,f=-2.4!) USER MOD Single : A 40 THR OG1 : rot 51:sc= 0.0984 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -10:sc= 0.476 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 62 THR OG1 : rot -4:sc= 0.591 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -144:sc= -3.45! (180deg=-4.46!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 31 -3.817 16.233 2.007 1.00 0.00 N ATOM 30 CA ASP A 31 -4.700 15.835 3.139 1.00 0.00 C ATOM 31 C ASP A 31 -4.516 14.344 3.431 1.00 0.00 C ATOM 32 O ASP A 31 -4.525 13.919 4.569 1.00 0.00 O ATOM 33 CB ASP A 31 -6.160 16.106 2.767 1.00 0.00 C ATOM 34 CG ASP A 31 -6.980 16.321 4.041 1.00 0.00 C ATOM 35 OD1 ASP A 31 -6.745 17.312 4.712 1.00 0.00 O ATOM 36 OD2 ASP A 31 -7.829 15.491 4.322 1.00 0.00 O ATOM 0 HA ASP A 31 -4.437 16.413 4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.226 16.986 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.563 15.267 2.199 1.00 0.00 H new ATOM 41 N GLY A 32 -4.350 13.547 2.411 1.00 0.00 N ATOM 42 CA GLY A 32 -4.166 12.085 2.631 1.00 0.00 C ATOM 43 C GLY A 32 -2.816 11.647 2.062 1.00 0.00 C ATOM 44 O GLY A 32 -2.302 12.239 1.134 1.00 0.00 O ATOM 0 H GLY A 32 -4.334 13.845 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.214 11.858 3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.972 11.530 2.150 1.00 0.00 H new ATOM 48 N VAL A 33 -2.237 10.614 2.610 1.00 0.00 N ATOM 49 CA VAL A 33 -0.920 10.139 2.099 1.00 0.00 C ATOM 50 C VAL A 33 -0.740 8.661 2.449 1.00 0.00 C ATOM 51 O VAL A 33 -0.504 8.307 3.587 1.00 0.00 O ATOM 52 CB VAL A 33 0.201 10.956 2.743 1.00 0.00 C ATOM 53 CG1 VAL A 33 0.258 12.343 2.099 1.00 0.00 C ATOM 54 CG2 VAL A 33 -0.072 11.102 4.242 1.00 0.00 C ATOM 0 H VAL A 33 -2.619 10.078 3.389 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.884 10.263 1.017 1.00 0.00 H new ATOM 0 HB VAL A 33 1.153 10.447 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.057 12.925 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.451 12.241 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.694 12.853 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.726 11.684 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.024 11.611 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.113 10.115 4.702 1.00 0.00 H new ATOM 64 N VAL A 34 -0.850 7.794 1.480 1.00 0.00 N ATOM 65 CA VAL A 34 -0.685 6.340 1.759 1.00 0.00 C ATOM 66 C VAL A 34 0.787 5.954 1.601 1.00 0.00 C ATOM 67 O VAL A 34 1.469 6.420 0.710 1.00 0.00 O ATOM 68 CB VAL A 34 -1.533 5.532 0.774 1.00 0.00 C ATOM 69 CG1 VAL A 34 -1.733 4.115 1.314 1.00 0.00 C ATOM 70 CG2 VAL A 34 -2.895 6.208 0.602 1.00 0.00 C ATOM 0 H VAL A 34 -1.047 8.030 0.507 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.009 6.127 2.778 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.025 5.485 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.337 3.540 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.763 3.633 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.241 4.161 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.500 5.634 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.402 6.255 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.754 7.218 0.217 1.00 0.00 H new ATOM 80 N ARG A 35 1.282 5.104 2.459 1.00 0.00 N ATOM 81 CA ARG A 35 2.710 4.690 2.357 1.00 0.00 C ATOM 82 C ARG A 35 2.788 3.257 1.826 1.00 0.00 C ATOM 83 O ARG A 35 2.466 2.310 2.515 1.00 0.00 O ATOM 84 CB ARG A 35 3.360 4.756 3.741 1.00 0.00 C ATOM 85 CG ARG A 35 4.879 4.642 3.597 1.00 0.00 C ATOM 86 CD ARG A 35 5.473 4.076 4.889 1.00 0.00 C ATOM 87 NE ARG A 35 5.471 5.131 5.940 1.00 0.00 N ATOM 88 CZ ARG A 35 5.945 4.870 7.128 1.00 0.00 C ATOM 89 NH1 ARG A 35 6.927 4.022 7.266 1.00 0.00 N ATOM 90 NH2 ARG A 35 5.436 5.456 8.177 1.00 0.00 N ATOM 0 H ARG A 35 0.760 4.679 3.225 1.00 0.00 H new ATOM 0 HA ARG A 35 3.235 5.360 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.100 5.694 4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.982 3.951 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.128 3.995 2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.309 5.621 3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.893 3.215 5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.490 3.726 4.712 1.00 0.00 H new ATOM 0 HE ARG A 35 5.099 6.058 5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.324 3.563 6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.298 3.818 8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.668 6.118 8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.806 5.252 9.105 1.00 0.00 H new ATOM 104 N ILE A 36 3.214 3.090 0.603 1.00 0.00 N ATOM 105 CA ILE A 36 3.312 1.719 0.029 1.00 0.00 C ATOM 106 C ILE A 36 4.769 1.254 0.065 1.00 0.00 C ATOM 107 O ILE A 36 5.657 1.924 -0.425 1.00 0.00 O ATOM 108 CB ILE A 36 2.818 1.736 -1.418 1.00 0.00 C ATOM 109 CG1 ILE A 36 1.373 2.238 -1.457 1.00 0.00 C ATOM 110 CG2 ILE A 36 2.880 0.321 -1.996 1.00 0.00 C ATOM 111 CD1 ILE A 36 1.097 2.900 -2.808 1.00 0.00 C ATOM 0 H ILE A 36 3.498 3.844 -0.023 1.00 0.00 H new ATOM 0 HA ILE A 36 2.698 1.035 0.615 1.00 0.00 H new ATOM 0 HB ILE A 36 3.450 2.398 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.684 1.408 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.203 2.950 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.528 0.334 -3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.909 -0.039 -1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.248 -0.342 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.068 3.257 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.777 3.741 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.250 2.174 -3.607 1.00 0.00 H new ATOM 123 N GLN A 37 5.023 0.112 0.642 1.00 0.00 N ATOM 124 CA GLN A 37 6.423 -0.394 0.709 1.00 0.00 C ATOM 125 C GLN A 37 6.418 -1.922 0.622 1.00 0.00 C ATOM 126 O GLN A 37 5.382 -2.542 0.487 1.00 0.00 O ATOM 127 CB GLN A 37 7.060 0.039 2.031 1.00 0.00 C ATOM 128 CG GLN A 37 6.262 -0.546 3.199 1.00 0.00 C ATOM 129 CD GLN A 37 6.828 -0.020 4.519 1.00 0.00 C ATOM 130 OE1 GLN A 37 6.916 1.175 4.722 1.00 0.00 O ATOM 131 NE2 GLN A 37 7.217 -0.867 5.432 1.00 0.00 N ATOM 0 H GLN A 37 4.322 -0.493 1.070 1.00 0.00 H new ATOM 0 HA GLN A 37 6.997 0.016 -0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.094 -0.301 2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.079 1.127 2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.211 -0.273 3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.312 -1.635 3.178 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.143 -1.870 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.595 -0.526 6.316 1.00 0.00 H new ATOM 140 N ARG A 38 7.568 -2.534 0.699 1.00 0.00 N ATOM 141 CA ARG A 38 7.628 -4.021 0.620 1.00 0.00 C ATOM 142 C ARG A 38 8.562 -4.552 1.709 1.00 0.00 C ATOM 143 O ARG A 38 9.752 -4.308 1.693 1.00 0.00 O ATOM 144 CB ARG A 38 8.157 -4.438 -0.754 1.00 0.00 C ATOM 145 CG ARG A 38 8.047 -5.957 -0.904 1.00 0.00 C ATOM 146 CD ARG A 38 9.376 -6.517 -1.413 1.00 0.00 C ATOM 147 NE ARG A 38 9.626 -6.023 -2.796 1.00 0.00 N ATOM 148 CZ ARG A 38 10.850 -5.873 -3.224 1.00 0.00 C ATOM 149 NH1 ARG A 38 11.712 -5.199 -2.513 1.00 0.00 N ATOM 150 NH2 ARG A 38 11.212 -6.396 -4.363 1.00 0.00 N ATOM 0 H ARG A 38 8.468 -2.069 0.813 1.00 0.00 H new ATOM 0 HA ARG A 38 6.629 -4.433 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.588 -3.942 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.195 -4.125 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.792 -6.410 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.245 -6.207 -1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.188 -6.211 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.351 -7.607 -1.404 1.00 0.00 H new ATOM 0 HE ARG A 38 8.841 -5.802 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.429 -4.789 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.668 -5.082 -2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.538 -6.922 -4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.169 -6.279 -4.697 1.00 0.00 H new ATOM 164 N GLN A 39 8.032 -5.276 2.657 1.00 0.00 N ATOM 165 CA GLN A 39 8.891 -5.822 3.746 1.00 0.00 C ATOM 166 C GLN A 39 9.461 -7.175 3.315 1.00 0.00 C ATOM 167 O GLN A 39 8.738 -8.064 2.912 1.00 0.00 O ATOM 168 CB GLN A 39 8.053 -6.001 5.014 1.00 0.00 C ATOM 169 CG GLN A 39 8.932 -6.570 6.130 1.00 0.00 C ATOM 170 CD GLN A 39 9.327 -5.448 7.092 1.00 0.00 C ATOM 171 OE1 GLN A 39 8.602 -4.486 7.251 1.00 0.00 O ATOM 172 NE2 GLN A 39 10.454 -5.530 7.744 1.00 0.00 N ATOM 0 H GLN A 39 7.042 -5.513 2.724 1.00 0.00 H new ATOM 0 HA GLN A 39 9.709 -5.130 3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.630 -5.045 5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.216 -6.671 4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.395 -7.352 6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.824 -7.030 5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.063 -6.338 7.611 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.726 -4.787 8.387 1.00 0.00 H new ATOM 181 N THR A 40 10.753 -7.338 3.398 1.00 0.00 N ATOM 182 CA THR A 40 11.368 -8.633 2.994 1.00 0.00 C ATOM 183 C THR A 40 11.377 -9.589 4.188 1.00 0.00 C ATOM 184 O THR A 40 11.282 -9.176 5.327 1.00 0.00 O ATOM 185 CB THR A 40 12.804 -8.392 2.523 1.00 0.00 C ATOM 186 OG1 THR A 40 13.326 -7.241 3.173 1.00 0.00 O ATOM 187 CG2 THR A 40 12.817 -8.175 1.009 1.00 0.00 C ATOM 0 H THR A 40 11.409 -6.630 3.728 1.00 0.00 H new ATOM 0 HA THR A 40 10.788 -9.072 2.182 1.00 0.00 H new ATOM 0 HB THR A 40 13.418 -9.259 2.768 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.186 -7.320 4.140 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.840 -8.003 0.675 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.416 -9.058 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.204 -7.309 0.760 1.00 0.00 H new ATOM 266 N LYS A 46 8.291 -14.892 -0.809 1.00 0.00 N ATOM 267 CA LYS A 46 7.472 -14.390 0.330 1.00 0.00 C ATOM 268 C LYS A 46 7.486 -12.860 0.332 1.00 0.00 C ATOM 269 O LYS A 46 8.140 -12.237 1.144 1.00 0.00 O ATOM 270 CB LYS A 46 8.056 -14.907 1.646 1.00 0.00 C ATOM 271 CG LYS A 46 7.092 -15.916 2.272 1.00 0.00 C ATOM 272 CD LYS A 46 5.938 -15.171 2.945 1.00 0.00 C ATOM 273 CE LYS A 46 4.607 -15.772 2.488 1.00 0.00 C ATOM 274 NZ LYS A 46 4.405 -17.092 3.149 1.00 0.00 N ATOM 0 HA LYS A 46 6.447 -14.744 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.024 -15.376 1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.226 -14.077 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.707 -16.590 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.617 -16.531 3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.028 -15.242 4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.977 -14.112 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.787 -15.099 2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.603 -15.891 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.500 -17.501 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.182 -17.733 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.391 -16.965 4.181 1.00 0.00 H new ATOM 288 N GLY A 47 6.769 -12.249 -0.571 1.00 0.00 N ATOM 289 CA GLY A 47 6.742 -10.760 -0.620 1.00 0.00 C ATOM 290 C GLY A 47 5.375 -10.256 -0.156 1.00 0.00 C ATOM 291 O GLY A 47 4.357 -10.868 -0.412 1.00 0.00 O ATOM 0 H GLY A 47 6.201 -12.717 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.527 -10.351 0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.942 -10.416 -1.635 1.00 0.00 H new ATOM 295 N VAL A 48 5.343 -9.143 0.525 1.00 0.00 N ATOM 296 CA VAL A 48 4.041 -8.600 1.005 1.00 0.00 C ATOM 297 C VAL A 48 4.073 -7.072 0.945 1.00 0.00 C ATOM 298 O VAL A 48 5.117 -6.459 1.050 1.00 0.00 O ATOM 299 CB VAL A 48 3.802 -9.048 2.448 1.00 0.00 C ATOM 300 CG1 VAL A 48 3.799 -10.576 2.515 1.00 0.00 C ATOM 301 CG2 VAL A 48 4.917 -8.502 3.342 1.00 0.00 C ATOM 0 H VAL A 48 6.162 -8.587 0.770 1.00 0.00 H new ATOM 0 HA VAL A 48 3.236 -8.972 0.371 1.00 0.00 H new ATOM 0 HB VAL A 48 2.840 -8.667 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.629 -10.895 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.006 -10.967 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.761 -10.957 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.748 -8.821 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.879 -8.883 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.920 -7.413 3.295 1.00 0.00 H new ATOM 311 N CYS A 49 2.938 -6.451 0.777 1.00 0.00 N ATOM 312 CA CYS A 49 2.906 -4.963 0.711 1.00 0.00 C ATOM 313 C CYS A 49 2.248 -4.410 1.977 1.00 0.00 C ATOM 314 O CYS A 49 1.087 -4.654 2.242 1.00 0.00 O ATOM 315 CB CYS A 49 2.102 -4.524 -0.515 1.00 0.00 C ATOM 316 SG CYS A 49 3.042 -3.284 -1.440 1.00 0.00 S ATOM 0 H CYS A 49 2.032 -6.910 0.683 1.00 0.00 H new ATOM 0 HA CYS A 49 3.924 -4.581 0.634 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.889 -5.384 -1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.142 -4.111 -0.205 1.00 0.00 H new ATOM 0 HG CYS A 49 4.069 -2.905 -0.738 1.00 0.00 H new ATOM 322 N LEU A 50 2.980 -3.668 2.762 1.00 0.00 N ATOM 323 CA LEU A 50 2.396 -3.101 4.010 1.00 0.00 C ATOM 324 C LEU A 50 1.940 -1.663 3.754 1.00 0.00 C ATOM 325 O LEU A 50 2.526 -0.947 2.966 1.00 0.00 O ATOM 326 CB LEU A 50 3.451 -3.111 5.117 1.00 0.00 C ATOM 327 CG LEU A 50 3.877 -4.551 5.405 1.00 0.00 C ATOM 328 CD1 LEU A 50 5.348 -4.734 5.031 1.00 0.00 C ATOM 329 CD2 LEU A 50 3.690 -4.849 6.895 1.00 0.00 C ATOM 0 H LEU A 50 3.957 -3.430 2.593 1.00 0.00 H new ATOM 0 HA LEU A 50 1.541 -3.704 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.315 -2.519 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.049 -2.652 6.020 1.00 0.00 H new ATOM 0 HG LEU A 50 3.265 -5.235 4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.651 -5.761 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.483 -4.521 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.961 -4.050 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.993 -5.875 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.302 -4.164 7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.641 -4.720 7.163 1.00 0.00 H new ATOM 341 N ILE A 51 0.899 -1.235 4.414 1.00 0.00 N ATOM 342 CA ILE A 51 0.407 0.157 4.210 1.00 0.00 C ATOM 343 C ILE A 51 0.078 0.783 5.566 1.00 0.00 C ATOM 344 O ILE A 51 -0.679 0.238 6.345 1.00 0.00 O ATOM 345 CB ILE A 51 -0.852 0.131 3.341 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.717 -0.965 2.280 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.027 1.486 2.654 1.00 0.00 C ATOM 348 CD1 ILE A 51 0.310 -0.535 1.230 1.00 0.00 C ATOM 0 H ILE A 51 0.368 -1.789 5.086 1.00 0.00 H new ATOM 0 HA ILE A 51 1.178 0.747 3.714 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.721 -0.073 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.407 -1.901 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.682 -1.149 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.924 1.467 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.123 2.267 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.159 1.691 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.406 -1.315 0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.019 0.390 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.275 -0.373 1.710 1.00 0.00 H new ATOM 360 N THR A 52 0.641 1.924 5.857 1.00 0.00 N ATOM 361 CA THR A 52 0.360 2.581 7.164 1.00 0.00 C ATOM 362 C THR A 52 0.662 4.078 7.059 1.00 0.00 C ATOM 363 O THR A 52 1.257 4.535 6.104 1.00 0.00 O ATOM 364 CB THR A 52 1.242 1.958 8.249 1.00 0.00 C ATOM 365 OG1 THR A 52 1.197 2.768 9.416 1.00 0.00 O ATOM 366 CG2 THR A 52 2.683 1.864 7.745 1.00 0.00 C ATOM 0 H THR A 52 1.283 2.429 5.246 1.00 0.00 H new ATOM 0 HA THR A 52 -0.689 2.439 7.423 1.00 0.00 H new ATOM 0 HB THR A 52 0.877 0.959 8.486 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.760 2.370 10.112 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.311 1.420 8.518 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.716 1.243 6.850 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.051 2.862 7.507 1.00 0.00 H new ATOM 374 N GLY A 53 0.256 4.844 8.035 1.00 0.00 N ATOM 375 CA GLY A 53 0.520 6.310 7.990 1.00 0.00 C ATOM 376 C GLY A 53 -0.689 7.030 7.391 1.00 0.00 C ATOM 377 O GLY A 53 -0.916 8.197 7.642 1.00 0.00 O ATOM 0 H GLY A 53 -0.247 4.518 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.719 6.685 8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.409 6.512 7.392 1.00 0.00 H new ATOM 381 N VAL A 54 -1.467 6.344 6.599 1.00 0.00 N ATOM 382 CA VAL A 54 -2.661 6.990 5.984 1.00 0.00 C ATOM 383 C VAL A 54 -3.467 7.709 7.067 1.00 0.00 C ATOM 384 O VAL A 54 -4.126 7.089 7.879 1.00 0.00 O ATOM 385 CB VAL A 54 -3.534 5.923 5.322 1.00 0.00 C ATOM 386 CG1 VAL A 54 -3.978 4.903 6.371 1.00 0.00 C ATOM 387 CG2 VAL A 54 -4.766 6.587 4.703 1.00 0.00 C ATOM 0 H VAL A 54 -1.327 5.364 6.351 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.337 7.711 5.234 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.963 5.417 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.600 4.143 5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.101 4.431 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.550 5.407 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.390 5.828 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.337 7.092 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.450 7.314 3.955 1.00 0.00 H new ATOM 397 N ASP A 55 -3.421 9.013 7.088 1.00 0.00 N ATOM 398 CA ASP A 55 -4.186 9.770 8.119 1.00 0.00 C ATOM 399 C ASP A 55 -5.478 10.308 7.502 1.00 0.00 C ATOM 400 O ASP A 55 -5.576 11.469 7.156 1.00 0.00 O ATOM 401 CB ASP A 55 -3.338 10.937 8.628 1.00 0.00 C ATOM 402 CG ASP A 55 -2.511 10.482 9.831 1.00 0.00 C ATOM 403 OD1 ASP A 55 -1.664 9.622 9.652 1.00 0.00 O ATOM 404 OD2 ASP A 55 -2.738 11.001 10.912 1.00 0.00 O ATOM 0 H ASP A 55 -2.887 9.587 6.436 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.429 9.108 8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.680 11.295 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.981 11.771 8.910 1.00 0.00 H new ATOM 409 N LEU A 56 -6.472 9.474 7.362 1.00 0.00 N ATOM 410 CA LEU A 56 -7.757 9.939 6.767 1.00 0.00 C ATOM 411 C LEU A 56 -8.927 9.355 7.561 1.00 0.00 C ATOM 412 O LEU A 56 -8.743 8.727 8.585 1.00 0.00 O ATOM 413 CB LEU A 56 -7.844 9.472 5.313 1.00 0.00 C ATOM 414 CG LEU A 56 -7.104 10.463 4.413 1.00 0.00 C ATOM 415 CD1 LEU A 56 -7.172 9.985 2.961 1.00 0.00 C ATOM 416 CD2 LEU A 56 -7.760 11.840 4.526 1.00 0.00 C ATOM 0 H LEU A 56 -6.450 8.491 7.634 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.801 11.028 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.408 8.478 5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.887 9.395 5.007 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.062 10.528 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.645 10.692 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.706 9.003 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.214 9.919 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.234 12.547 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.802 11.773 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.712 12.182 5.560 1.00 0.00 H new ATOM 428 N ASP A 57 -10.130 9.557 7.098 1.00 0.00 N ATOM 429 CA ASP A 57 -11.310 9.013 7.827 1.00 0.00 C ATOM 430 C ASP A 57 -11.302 7.485 7.741 1.00 0.00 C ATOM 431 O ASP A 57 -11.020 6.913 6.707 1.00 0.00 O ATOM 432 CB ASP A 57 -12.594 9.552 7.193 1.00 0.00 C ATOM 433 CG ASP A 57 -13.551 10.016 8.293 1.00 0.00 C ATOM 434 OD1 ASP A 57 -13.519 9.431 9.363 1.00 0.00 O ATOM 435 OD2 ASP A 57 -14.298 10.948 8.047 1.00 0.00 O ATOM 0 H ASP A 57 -10.347 10.075 6.247 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.264 9.319 8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.362 10.381 6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.066 8.778 6.588 1.00 0.00 H new ATOM 440 N ASP A 58 -11.610 6.820 8.821 1.00 0.00 N ATOM 441 CA ASP A 58 -11.620 5.330 8.800 1.00 0.00 C ATOM 442 C ASP A 58 -12.440 4.842 7.605 1.00 0.00 C ATOM 443 O ASP A 58 -12.171 3.800 7.039 1.00 0.00 O ATOM 444 CB ASP A 58 -12.244 4.806 10.096 1.00 0.00 C ATOM 445 CG ASP A 58 -11.143 4.273 11.014 1.00 0.00 C ATOM 446 OD1 ASP A 58 -9.984 4.510 10.716 1.00 0.00 O ATOM 447 OD2 ASP A 58 -11.478 3.637 12.000 1.00 0.00 O ATOM 0 H ASP A 58 -11.855 7.244 9.716 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.598 4.961 8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.794 5.604 10.596 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.961 4.016 9.873 1.00 0.00 H new ATOM 452 N ALA A 59 -13.439 5.585 7.216 1.00 0.00 N ATOM 453 CA ALA A 59 -14.275 5.163 6.057 1.00 0.00 C ATOM 454 C ALA A 59 -13.422 5.158 4.787 1.00 0.00 C ATOM 455 O ALA A 59 -13.494 4.250 3.983 1.00 0.00 O ATOM 456 CB ALA A 59 -15.440 6.139 5.886 1.00 0.00 C ATOM 0 H ALA A 59 -13.713 6.466 7.651 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.665 4.161 6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.052 5.830 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.048 6.142 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -15.051 7.142 5.707 1.00 0.00 H new ATOM 462 N GLU A 60 -12.616 6.167 4.599 1.00 0.00 N ATOM 463 CA GLU A 60 -11.760 6.220 3.381 1.00 0.00 C ATOM 464 C GLU A 60 -10.733 5.087 3.428 1.00 0.00 C ATOM 465 O GLU A 60 -10.378 4.516 2.416 1.00 0.00 O ATOM 466 CB GLU A 60 -11.033 7.565 3.326 1.00 0.00 C ATOM 467 CG GLU A 60 -12.044 8.682 3.060 1.00 0.00 C ATOM 468 CD GLU A 60 -11.354 10.040 3.201 1.00 0.00 C ATOM 469 OE1 GLU A 60 -10.425 10.291 2.451 1.00 0.00 O ATOM 470 OE2 GLU A 60 -11.766 10.806 4.056 1.00 0.00 O ATOM 0 H GLU A 60 -12.514 6.957 5.236 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.384 6.108 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.513 7.748 4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.277 7.550 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.463 8.577 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.875 8.610 3.762 1.00 0.00 H new ATOM 477 N LEU A 61 -10.251 4.757 4.595 1.00 0.00 N ATOM 478 CA LEU A 61 -9.247 3.662 4.704 1.00 0.00 C ATOM 479 C LEU A 61 -9.849 2.363 4.164 1.00 0.00 C ATOM 480 O LEU A 61 -9.228 1.650 3.401 1.00 0.00 O ATOM 481 CB LEU A 61 -8.856 3.472 6.171 1.00 0.00 C ATOM 482 CG LEU A 61 -7.475 4.081 6.414 1.00 0.00 C ATOM 483 CD1 LEU A 61 -7.587 5.209 7.441 1.00 0.00 C ATOM 484 CD2 LEU A 61 -6.529 3.001 6.946 1.00 0.00 C ATOM 0 H LEU A 61 -10.509 5.199 5.477 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.362 3.921 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.593 3.946 6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.846 2.411 6.421 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.084 4.480 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.602 5.643 7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.261 5.978 7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.978 4.811 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.544 3.434 7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.921 2.603 7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.448 2.196 6.215 1.00 0.00 H new ATOM 496 N THR A 62 -11.055 2.050 4.554 1.00 0.00 N ATOM 497 CA THR A 62 -11.694 0.797 4.062 1.00 0.00 C ATOM 498 C THR A 62 -12.049 0.954 2.582 1.00 0.00 C ATOM 499 O THR A 62 -12.199 -0.015 1.864 1.00 0.00 O ATOM 500 CB THR A 62 -12.968 0.525 4.866 1.00 0.00 C ATOM 501 OG1 THR A 62 -13.803 1.674 4.830 1.00 0.00 O ATOM 502 CG2 THR A 62 -12.600 0.203 6.315 1.00 0.00 C ATOM 0 H THR A 62 -11.624 2.607 5.191 1.00 0.00 H new ATOM 0 HA THR A 62 -11.002 -0.037 4.184 1.00 0.00 H new ATOM 0 HB THR A 62 -13.498 -0.323 4.432 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.343 2.398 4.356 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.508 0.010 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.960 -0.679 6.340 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.069 1.049 6.752 1.00 0.00 H new ATOM 510 N LYS A 63 -12.182 2.167 2.120 1.00 0.00 N ATOM 511 CA LYS A 63 -12.526 2.383 0.687 1.00 0.00 C ATOM 512 C LYS A 63 -11.317 2.036 -0.184 1.00 0.00 C ATOM 513 O LYS A 63 -11.443 1.410 -1.217 1.00 0.00 O ATOM 514 CB LYS A 63 -12.908 3.849 0.470 1.00 0.00 C ATOM 515 CG LYS A 63 -14.310 4.098 1.030 1.00 0.00 C ATOM 516 CD LYS A 63 -15.282 4.357 -0.123 1.00 0.00 C ATOM 517 CE LYS A 63 -15.939 5.726 0.061 1.00 0.00 C ATOM 518 NZ LYS A 63 -14.987 6.793 -0.358 1.00 0.00 N ATOM 0 H LYS A 63 -12.067 3.017 2.672 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.366 1.745 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.187 4.501 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.881 4.090 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.639 3.236 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.296 4.952 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.752 4.321 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.043 3.578 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.852 5.786 -0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.225 5.867 1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.433 7.724 -0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.127 6.740 0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.736 6.661 -1.358 1.00 0.00 H new ATOM 532 N LEU A 64 -10.144 2.435 0.226 1.00 0.00 N ATOM 533 CA LEU A 64 -8.929 2.125 -0.577 1.00 0.00 C ATOM 534 C LEU A 64 -8.571 0.648 -0.402 1.00 0.00 C ATOM 535 O LEU A 64 -8.097 0.002 -1.315 1.00 0.00 O ATOM 536 CB LEU A 64 -7.763 2.993 -0.099 1.00 0.00 C ATOM 537 CG LEU A 64 -7.106 3.672 -1.301 1.00 0.00 C ATOM 538 CD1 LEU A 64 -6.125 4.739 -0.813 1.00 0.00 C ATOM 539 CD2 LEU A 64 -6.351 2.626 -2.125 1.00 0.00 C ATOM 0 H LEU A 64 -9.975 2.962 1.083 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.125 2.332 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.120 3.744 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.033 2.381 0.430 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.873 4.140 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.657 5.223 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.661 5.484 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.357 4.272 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.882 3.108 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.584 2.160 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.049 1.865 -2.474 1.00 0.00 H new ATOM 551 N ALA A 65 -8.796 0.108 0.765 1.00 0.00 N ATOM 552 CA ALA A 65 -8.471 -1.327 0.997 1.00 0.00 C ATOM 553 C ALA A 65 -9.307 -2.193 0.053 1.00 0.00 C ATOM 554 O ALA A 65 -8.785 -3.000 -0.690 1.00 0.00 O ATOM 555 CB ALA A 65 -8.793 -1.695 2.447 1.00 0.00 C ATOM 0 H ALA A 65 -9.191 0.599 1.567 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.411 -1.497 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.555 -2.745 2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.200 -1.075 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.853 -1.527 2.638 1.00 0.00 H new ATOM 561 N ALA A 66 -10.601 -2.030 0.074 1.00 0.00 N ATOM 562 CA ALA A 66 -11.468 -2.842 -0.825 1.00 0.00 C ATOM 563 C ALA A 66 -11.161 -2.483 -2.279 1.00 0.00 C ATOM 564 O ALA A 66 -11.125 -3.334 -3.145 1.00 0.00 O ATOM 565 CB ALA A 66 -12.938 -2.543 -0.525 1.00 0.00 C ATOM 0 H ALA A 66 -11.095 -1.370 0.674 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.274 -3.902 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.572 -3.137 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.156 -2.794 0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.135 -1.484 -0.691 1.00 0.00 H new ATOM 571 N GLU A 67 -10.936 -1.227 -2.553 1.00 0.00 N ATOM 572 CA GLU A 67 -10.627 -0.812 -3.950 1.00 0.00 C ATOM 573 C GLU A 67 -9.436 -1.621 -4.468 1.00 0.00 C ATOM 574 O GLU A 67 -9.392 -2.015 -5.616 1.00 0.00 O ATOM 575 CB GLU A 67 -10.280 0.678 -3.975 1.00 0.00 C ATOM 576 CG GLU A 67 -11.537 1.492 -4.293 1.00 0.00 C ATOM 577 CD GLU A 67 -11.132 2.861 -4.842 1.00 0.00 C ATOM 578 OE1 GLU A 67 -9.945 3.078 -5.023 1.00 0.00 O ATOM 579 OE2 GLU A 67 -12.016 3.670 -5.072 1.00 0.00 O ATOM 0 H GLU A 67 -10.953 -0.470 -1.869 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.495 -0.993 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.871 0.983 -3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.511 0.870 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.151 0.963 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.142 1.613 -3.394 1.00 0.00 H new ATOM 586 N LEU A 68 -8.470 -1.873 -3.627 1.00 0.00 N ATOM 587 CA LEU A 68 -7.282 -2.656 -4.069 1.00 0.00 C ATOM 588 C LEU A 68 -7.607 -4.150 -4.012 1.00 0.00 C ATOM 589 O LEU A 68 -6.996 -4.955 -4.688 1.00 0.00 O ATOM 590 CB LEU A 68 -6.100 -2.354 -3.146 1.00 0.00 C ATOM 591 CG LEU A 68 -5.419 -1.060 -3.595 1.00 0.00 C ATOM 592 CD1 LEU A 68 -4.642 -0.458 -2.423 1.00 0.00 C ATOM 593 CD2 LEU A 68 -4.454 -1.364 -4.743 1.00 0.00 C ATOM 0 H LEU A 68 -8.453 -1.570 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.023 -2.380 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.444 -2.258 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.388 -3.179 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.175 -0.351 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.157 0.464 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.328 -0.241 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.886 -1.167 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.968 -0.442 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.699 -2.074 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.007 -1.793 -5.579 1.00 0.00 H new ATOM 605 N LYS A 69 -8.567 -4.528 -3.213 1.00 0.00 N ATOM 606 CA LYS A 69 -8.931 -5.970 -3.115 1.00 0.00 C ATOM 607 C LYS A 69 -9.613 -6.408 -4.413 1.00 0.00 C ATOM 608 O LYS A 69 -9.632 -7.575 -4.752 1.00 0.00 O ATOM 609 CB LYS A 69 -9.890 -6.175 -1.940 1.00 0.00 C ATOM 610 CG LYS A 69 -10.027 -7.671 -1.647 1.00 0.00 C ATOM 611 CD LYS A 69 -11.285 -7.915 -0.810 1.00 0.00 C ATOM 612 CE LYS A 69 -11.604 -9.411 -0.792 1.00 0.00 C ATOM 613 NZ LYS A 69 -12.443 -9.726 0.399 1.00 0.00 N ATOM 0 H LYS A 69 -9.115 -3.901 -2.624 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.031 -6.565 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.518 -5.654 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.865 -5.749 -2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.084 -8.231 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.147 -8.030 -1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.134 -7.552 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.125 -7.358 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.129 -9.693 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.681 -9.990 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.660 -10.743 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.926 -9.472 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.329 -9.183 0.353 1.00 0.00 H new ATOM 627 N LYS A 70 -10.173 -5.482 -5.142 1.00 0.00 N ATOM 628 CA LYS A 70 -10.852 -5.845 -6.417 1.00 0.00 C ATOM 629 C LYS A 70 -9.803 -6.100 -7.502 1.00 0.00 C ATOM 630 O LYS A 70 -10.129 -6.391 -8.636 1.00 0.00 O ATOM 631 CB LYS A 70 -11.765 -4.697 -6.851 1.00 0.00 C ATOM 632 CG LYS A 70 -13.225 -5.141 -6.748 1.00 0.00 C ATOM 633 CD LYS A 70 -13.661 -5.775 -8.071 1.00 0.00 C ATOM 634 CE LYS A 70 -15.110 -6.250 -7.956 1.00 0.00 C ATOM 635 NZ LYS A 70 -15.436 -7.134 -9.111 1.00 0.00 N ATOM 0 H LYS A 70 -10.189 -4.489 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.445 -6.747 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.594 -3.824 -6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.535 -4.402 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.342 -5.856 -5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.860 -4.286 -6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.567 -5.052 -8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.010 -6.614 -8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.254 -6.789 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.784 -5.394 -7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.421 -7.457 -9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.314 -6.605 -9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.800 -7.957 -9.108 1.00 0.00 H new ATOM 649 N LYS A 71 -8.547 -5.992 -7.166 1.00 0.00 N ATOM 650 CA LYS A 71 -7.481 -6.228 -8.180 1.00 0.00 C ATOM 651 C LYS A 71 -6.620 -7.416 -7.748 1.00 0.00 C ATOM 652 O LYS A 71 -5.528 -7.616 -8.242 1.00 0.00 O ATOM 653 CB LYS A 71 -6.606 -4.979 -8.297 1.00 0.00 C ATOM 654 CG LYS A 71 -5.911 -4.967 -9.660 1.00 0.00 C ATOM 655 CD LYS A 71 -5.934 -3.548 -10.231 1.00 0.00 C ATOM 656 CE LYS A 71 -5.726 -3.601 -11.746 1.00 0.00 C ATOM 657 NZ LYS A 71 -5.936 -2.243 -12.324 1.00 0.00 N ATOM 0 H LYS A 71 -8.213 -5.751 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.938 -6.444 -9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.216 -4.083 -8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.864 -4.966 -7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.882 -5.313 -9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.413 -5.653 -10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.885 -3.068 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.153 -2.946 -9.767 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.720 -3.953 -11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.421 -4.310 -12.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.795 -2.278 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.904 -1.924 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.256 -1.578 -11.904 1.00 0.00 H new ATOM 671 N CYS A 72 -7.101 -8.207 -6.827 1.00 0.00 N ATOM 672 CA CYS A 72 -6.308 -9.380 -6.364 1.00 0.00 C ATOM 673 C CYS A 72 -7.021 -10.672 -6.769 1.00 0.00 C ATOM 674 O CYS A 72 -6.396 -11.674 -7.055 1.00 0.00 O ATOM 675 CB CYS A 72 -6.165 -9.331 -4.841 1.00 0.00 C ATOM 676 SG CYS A 72 -4.452 -8.942 -4.408 1.00 0.00 S ATOM 0 H CYS A 72 -8.008 -8.091 -6.376 1.00 0.00 H new ATOM 0 HA CYS A 72 -5.319 -9.353 -6.822 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -6.836 -8.579 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -6.452 -10.289 -4.407 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.331 -8.898 -3.114 1.00 0.00 H new ATOM 682 N GLY A 73 -8.326 -10.658 -6.793 1.00 0.00 N ATOM 683 CA GLY A 73 -9.077 -11.886 -7.178 1.00 0.00 C ATOM 684 C GLY A 73 -9.314 -12.748 -5.937 1.00 0.00 C ATOM 685 O GLY A 73 -10.391 -13.272 -5.729 1.00 0.00 O ATOM 0 H GLY A 73 -8.904 -9.850 -6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.030 -11.615 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.516 -12.449 -7.924 1.00 0.00 H new ATOM 689 N CYS A 74 -8.316 -12.901 -5.109 1.00 0.00 N ATOM 690 CA CYS A 74 -8.485 -13.729 -3.882 1.00 0.00 C ATOM 691 C CYS A 74 -7.450 -13.311 -2.836 1.00 0.00 C ATOM 692 O CYS A 74 -6.263 -13.501 -3.013 1.00 0.00 O ATOM 693 CB CYS A 74 -8.286 -15.205 -4.233 1.00 0.00 C ATOM 694 SG CYS A 74 -9.013 -16.237 -2.936 1.00 0.00 S ATOM 0 H CYS A 74 -7.391 -12.488 -5.230 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.487 -13.581 -3.480 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -8.751 -15.427 -5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.223 -15.425 -4.335 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.846 -17.491 -3.235 1.00 0.00 H new ATOM 700 N GLY A 75 -7.889 -12.745 -1.745 1.00 0.00 N ATOM 701 CA GLY A 75 -6.928 -12.319 -0.688 1.00 0.00 C ATOM 702 C GLY A 75 -7.149 -10.841 -0.359 1.00 0.00 C ATOM 703 O GLY A 75 -7.976 -10.179 -0.954 1.00 0.00 O ATOM 0 H GLY A 75 -8.871 -12.559 -1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.064 -12.926 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.904 -12.477 -1.028 1.00 0.00 H new ATOM 707 N GLY A 76 -6.417 -10.319 0.588 1.00 0.00 N ATOM 708 CA GLY A 76 -6.586 -8.885 0.957 1.00 0.00 C ATOM 709 C GLY A 76 -7.100 -8.785 2.394 1.00 0.00 C ATOM 710 O GLY A 76 -8.221 -9.149 2.688 1.00 0.00 O ATOM 0 H GLY A 76 -5.709 -10.824 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.636 -8.360 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.286 -8.403 0.275 1.00 0.00 H new ATOM 714 N ALA A 77 -6.290 -8.296 3.293 1.00 0.00 N ATOM 715 CA ALA A 77 -6.737 -8.180 4.710 1.00 0.00 C ATOM 716 C ALA A 77 -6.613 -6.726 5.173 1.00 0.00 C ATOM 717 O ALA A 77 -5.544 -6.148 5.161 1.00 0.00 O ATOM 718 CB ALA A 77 -5.863 -9.073 5.594 1.00 0.00 C ATOM 0 H ALA A 77 -5.340 -7.973 3.108 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.778 -8.495 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.189 -8.989 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.954 -10.109 5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.823 -8.758 5.514 1.00 0.00 H new ATOM 724 N VAL A 78 -7.700 -6.132 5.586 1.00 0.00 N ATOM 725 CA VAL A 78 -7.650 -4.719 6.056 1.00 0.00 C ATOM 726 C VAL A 78 -7.860 -4.685 7.571 1.00 0.00 C ATOM 727 O VAL A 78 -8.676 -5.407 8.109 1.00 0.00 O ATOM 728 CB VAL A 78 -8.755 -3.914 5.369 1.00 0.00 C ATOM 729 CG1 VAL A 78 -10.095 -4.630 5.552 1.00 0.00 C ATOM 730 CG2 VAL A 78 -8.834 -2.519 5.994 1.00 0.00 C ATOM 0 H VAL A 78 -8.622 -6.566 5.618 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.681 -4.285 5.811 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.532 -3.824 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.883 -4.058 5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.040 -5.624 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.318 -4.719 6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.621 -1.945 5.505 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.058 -2.609 7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.880 -2.008 5.866 1.00 0.00 H new ATOM 740 N LYS A 79 -7.130 -3.855 8.266 1.00 0.00 N ATOM 741 CA LYS A 79 -7.293 -3.784 9.746 1.00 0.00 C ATOM 742 C LYS A 79 -7.465 -2.326 10.177 1.00 0.00 C ATOM 743 O LYS A 79 -6.767 -1.445 9.715 1.00 0.00 O ATOM 744 CB LYS A 79 -6.053 -4.373 10.425 1.00 0.00 C ATOM 745 CG LYS A 79 -6.204 -5.892 10.537 1.00 0.00 C ATOM 746 CD LYS A 79 -5.319 -6.410 11.673 1.00 0.00 C ATOM 747 CE LYS A 79 -5.745 -7.831 12.045 1.00 0.00 C ATOM 748 NZ LYS A 79 -4.806 -8.380 13.064 1.00 0.00 N ATOM 0 H LYS A 79 -6.430 -3.225 7.874 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.175 -4.353 10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.160 -4.127 9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.926 -3.936 11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.246 -6.152 10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.922 -6.367 9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.273 -6.401 11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.402 -5.755 12.540 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.762 -7.826 12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.748 -8.465 11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.095 -9.346 13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.842 -8.398 12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.825 -7.779 13.913 1.00 0.00 H new ATOM 762 N ASP A 80 -8.390 -2.065 11.061 1.00 0.00 N ATOM 763 CA ASP A 80 -8.607 -0.665 11.523 1.00 0.00 C ATOM 764 C ASP A 80 -7.291 -0.095 12.056 1.00 0.00 C ATOM 765 O ASP A 80 -6.985 -0.202 13.227 1.00 0.00 O ATOM 766 CB ASP A 80 -9.656 -0.652 12.638 1.00 0.00 C ATOM 767 CG ASP A 80 -10.982 -0.124 12.088 1.00 0.00 C ATOM 768 OD1 ASP A 80 -10.975 0.418 10.995 1.00 0.00 O ATOM 769 OD2 ASP A 80 -11.984 -0.270 12.770 1.00 0.00 O ATOM 0 H ASP A 80 -9.005 -2.761 11.483 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.956 -0.057 10.688 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.790 -1.658 13.036 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.317 -0.025 13.463 1.00 0.00 H new ATOM 774 N GLY A 81 -6.508 0.511 11.205 1.00 0.00 N ATOM 775 CA GLY A 81 -5.213 1.087 11.663 1.00 0.00 C ATOM 776 C GLY A 81 -4.122 0.771 10.639 1.00 0.00 C ATOM 777 O GLY A 81 -3.331 1.619 10.277 1.00 0.00 O ATOM 0 H GLY A 81 -6.710 0.632 10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.307 2.166 11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.944 0.675 12.636 1.00 0.00 H new ATOM 781 N VAL A 82 -4.073 -0.445 10.166 1.00 0.00 N ATOM 782 CA VAL A 82 -3.034 -0.814 9.164 1.00 0.00 C ATOM 783 C VAL A 82 -3.666 -1.669 8.065 1.00 0.00 C ATOM 784 O VAL A 82 -4.634 -2.368 8.288 1.00 0.00 O ATOM 785 CB VAL A 82 -1.920 -1.607 9.850 1.00 0.00 C ATOM 786 CG1 VAL A 82 -0.640 -1.516 9.018 1.00 0.00 C ATOM 787 CG2 VAL A 82 -1.664 -1.026 11.243 1.00 0.00 C ATOM 0 H VAL A 82 -4.708 -1.198 10.431 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.616 0.092 8.725 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.221 -2.651 9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.153 -2.081 9.508 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.821 -1.929 8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.339 -0.472 8.927 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.870 -1.591 11.732 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.364 0.018 11.152 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.575 -1.091 11.838 1.00 0.00 H new ATOM 797 N ILE A 83 -3.126 -1.620 6.877 1.00 0.00 N ATOM 798 CA ILE A 83 -3.697 -2.430 5.765 1.00 0.00 C ATOM 799 C ILE A 83 -2.604 -3.316 5.163 1.00 0.00 C ATOM 800 O ILE A 83 -1.472 -2.904 5.011 1.00 0.00 O ATOM 801 CB ILE A 83 -4.249 -1.498 4.685 1.00 0.00 C ATOM 802 CG1 ILE A 83 -5.201 -0.484 5.325 1.00 0.00 C ATOM 803 CG2 ILE A 83 -5.008 -2.319 3.641 1.00 0.00 C ATOM 804 CD1 ILE A 83 -4.679 0.933 5.081 1.00 0.00 C ATOM 0 H ILE A 83 -2.314 -1.054 6.629 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.501 -3.057 6.150 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.425 -0.971 4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.201 -0.592 4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.284 -0.673 6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.401 -1.655 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.332 -3.042 3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.832 -2.846 4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.357 1.654 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.688 1.037 5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.619 1.119 4.009 1.00 0.00 H new ATOM 816 N GLU A 84 -2.936 -4.530 4.818 1.00 0.00 N ATOM 817 CA GLU A 84 -1.918 -5.441 4.223 1.00 0.00 C ATOM 818 C GLU A 84 -2.468 -6.039 2.927 1.00 0.00 C ATOM 819 O GLU A 84 -3.624 -6.403 2.843 1.00 0.00 O ATOM 820 CB GLU A 84 -1.600 -6.567 5.210 1.00 0.00 C ATOM 821 CG GLU A 84 -0.219 -6.334 5.824 1.00 0.00 C ATOM 822 CD GLU A 84 0.132 -7.500 6.751 1.00 0.00 C ATOM 823 OE1 GLU A 84 -0.493 -8.540 6.625 1.00 0.00 O ATOM 824 OE2 GLU A 84 1.020 -7.333 7.571 1.00 0.00 O ATOM 0 H GLU A 84 -3.868 -4.930 4.923 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.008 -4.880 4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.357 -6.602 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.625 -7.530 4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.530 -6.243 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.211 -5.397 6.381 1.00 0.00 H new ATOM 831 N ILE A 85 -1.652 -6.140 1.914 1.00 0.00 N ATOM 832 CA ILE A 85 -2.135 -6.712 0.625 1.00 0.00 C ATOM 833 C ILE A 85 -0.952 -7.292 -0.153 1.00 0.00 C ATOM 834 O ILE A 85 0.094 -6.683 -0.256 1.00 0.00 O ATOM 835 CB ILE A 85 -2.800 -5.610 -0.201 1.00 0.00 C ATOM 836 CG1 ILE A 85 -4.101 -5.179 0.480 1.00 0.00 C ATOM 837 CG2 ILE A 85 -3.111 -6.138 -1.603 1.00 0.00 C ATOM 838 CD1 ILE A 85 -4.874 -4.237 -0.445 1.00 0.00 C ATOM 0 H ILE A 85 -0.674 -5.852 1.923 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.858 -7.503 0.826 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.126 -4.756 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.708 -6.053 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.882 -4.680 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.585 -5.352 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.186 -6.447 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.784 -6.992 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.801 -3.930 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.267 -3.357 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.106 -4.752 -1.377 1.00 0.00 H new ATOM 850 N GLN A 86 -1.110 -8.466 -0.701 1.00 0.00 N ATOM 851 CA GLN A 86 0.004 -9.085 -1.473 1.00 0.00 C ATOM 852 C GLN A 86 0.016 -8.522 -2.895 1.00 0.00 C ATOM 853 O GLN A 86 -0.878 -8.769 -3.679 1.00 0.00 O ATOM 854 CB GLN A 86 -0.195 -10.602 -1.527 1.00 0.00 C ATOM 855 CG GLN A 86 1.135 -11.303 -1.243 1.00 0.00 C ATOM 856 CD GLN A 86 0.950 -12.816 -1.364 1.00 0.00 C ATOM 857 OE1 GLN A 86 -0.120 -13.285 -1.698 1.00 0.00 O ATOM 858 NE2 GLN A 86 1.956 -13.607 -1.106 1.00 0.00 N ATOM 0 H GLN A 86 -1.963 -9.023 -0.647 1.00 0.00 H new ATOM 0 HA GLN A 86 0.952 -8.859 -0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -0.943 -10.907 -0.795 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -0.571 -10.895 -2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.895 -10.962 -1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.487 -11.048 -0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.855 -13.214 -0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.843 -14.618 -1.185 1.00 0.00 H new ATOM 867 N GLY A 87 1.024 -7.765 -3.235 1.00 0.00 N ATOM 868 CA GLY A 87 1.093 -7.186 -4.607 1.00 0.00 C ATOM 869 C GLY A 87 2.516 -7.328 -5.149 1.00 0.00 C ATOM 870 O GLY A 87 2.722 -7.625 -6.310 1.00 0.00 O ATOM 0 H GLY A 87 1.802 -7.523 -2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.389 -7.696 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.804 -6.135 -4.585 1.00 0.00 H new ATOM 874 N ASP A 88 3.501 -7.120 -4.319 1.00 0.00 N ATOM 875 CA ASP A 88 4.910 -7.244 -4.786 1.00 0.00 C ATOM 876 C ASP A 88 5.074 -6.508 -6.118 1.00 0.00 C ATOM 877 O ASP A 88 5.801 -6.939 -6.991 1.00 0.00 O ATOM 878 CB ASP A 88 5.256 -8.722 -4.976 1.00 0.00 C ATOM 879 CG ASP A 88 4.869 -9.503 -3.718 1.00 0.00 C ATOM 880 OD1 ASP A 88 4.975 -8.941 -2.640 1.00 0.00 O ATOM 881 OD2 ASP A 88 4.474 -10.649 -3.855 1.00 0.00 O ATOM 0 H ASP A 88 3.390 -6.869 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 88 5.578 -6.806 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.728 -9.122 -5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.322 -8.834 -5.173 1.00 0.00 H new ATOM 886 N LYS A 89 4.405 -5.400 -6.280 1.00 0.00 N ATOM 887 CA LYS A 89 4.524 -4.638 -7.555 1.00 0.00 C ATOM 888 C LYS A 89 4.622 -3.142 -7.248 1.00 0.00 C ATOM 889 O LYS A 89 3.867 -2.342 -7.764 1.00 0.00 O ATOM 890 CB LYS A 89 3.293 -4.902 -8.425 1.00 0.00 C ATOM 891 CG LYS A 89 3.694 -5.753 -9.632 1.00 0.00 C ATOM 892 CD LYS A 89 2.471 -5.989 -10.520 1.00 0.00 C ATOM 893 CE LYS A 89 2.894 -6.742 -11.783 1.00 0.00 C ATOM 894 NZ LYS A 89 2.495 -8.173 -11.666 1.00 0.00 N ATOM 0 H LYS A 89 3.781 -4.989 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 89 5.419 -4.959 -8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.527 -5.415 -7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.861 -3.958 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.477 -5.251 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.103 -6.706 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.719 -6.562 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.014 -5.036 -10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.427 -6.294 -12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.972 -6.664 -11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.782 -8.685 -12.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.960 -8.597 -10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.463 -8.238 -11.554 1.00 0.00 H new ATOM 908 N ARG A 90 5.547 -2.758 -6.412 1.00 0.00 N ATOM 909 CA ARG A 90 5.692 -1.315 -6.072 1.00 0.00 C ATOM 910 C ARG A 90 5.732 -0.490 -7.360 1.00 0.00 C ATOM 911 O ARG A 90 5.388 0.675 -7.373 1.00 0.00 O ATOM 912 CB ARG A 90 6.990 -1.103 -5.290 1.00 0.00 C ATOM 913 CG ARG A 90 6.824 -1.642 -3.868 1.00 0.00 C ATOM 914 CD ARG A 90 7.638 -0.785 -2.898 1.00 0.00 C ATOM 915 NE ARG A 90 8.784 -1.580 -2.373 1.00 0.00 N ATOM 916 CZ ARG A 90 9.977 -1.416 -2.876 1.00 0.00 C ATOM 917 NH1 ARG A 90 10.439 -0.213 -3.080 1.00 0.00 N ATOM 918 NH2 ARG A 90 10.708 -2.455 -3.175 1.00 0.00 N ATOM 0 H ARG A 90 6.209 -3.381 -5.950 1.00 0.00 H new ATOM 0 HA ARG A 90 4.845 -0.998 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.815 -1.612 -5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.240 -0.043 -5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.772 -1.631 -3.584 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.156 -2.679 -3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.003 0.109 -3.404 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.007 -0.450 -2.075 1.00 0.00 H new ATOM 0 HE ARG A 90 8.636 -2.252 -1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.868 0.599 -2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.371 -0.085 -3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.347 -3.396 -3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.640 -2.326 -3.568 1.00 0.00 H new ATOM 932 N ASP A 91 6.149 -1.085 -8.444 1.00 0.00 N ATOM 933 CA ASP A 91 6.210 -0.334 -9.729 1.00 0.00 C ATOM 934 C ASP A 91 4.823 0.221 -10.061 1.00 0.00 C ATOM 935 O ASP A 91 4.657 1.400 -10.301 1.00 0.00 O ATOM 936 CB ASP A 91 6.665 -1.273 -10.848 1.00 0.00 C ATOM 937 CG ASP A 91 8.128 -0.989 -11.191 1.00 0.00 C ATOM 938 OD1 ASP A 91 8.747 -0.224 -10.470 1.00 0.00 O ATOM 939 OD2 ASP A 91 8.605 -1.540 -12.169 1.00 0.00 O ATOM 0 H ASP A 91 6.450 -2.058 -8.495 1.00 0.00 H new ATOM 0 HA ASP A 91 6.918 0.489 -9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.549 -2.311 -10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.040 -1.134 -11.730 1.00 0.00 H new ATOM 944 N LEU A 92 3.826 -0.620 -10.077 1.00 0.00 N ATOM 945 CA LEU A 92 2.451 -0.140 -10.392 1.00 0.00 C ATOM 946 C LEU A 92 1.908 0.664 -9.209 1.00 0.00 C ATOM 947 O LEU A 92 1.163 1.609 -9.377 1.00 0.00 O ATOM 948 CB LEU A 92 1.539 -1.340 -10.656 1.00 0.00 C ATOM 949 CG LEU A 92 0.095 -0.860 -10.809 1.00 0.00 C ATOM 950 CD1 LEU A 92 -0.521 -1.483 -12.063 1.00 0.00 C ATOM 951 CD2 LEU A 92 -0.715 -1.283 -9.581 1.00 0.00 C ATOM 0 H LEU A 92 3.904 -1.619 -9.886 1.00 0.00 H new ATOM 0 HA LEU A 92 2.482 0.494 -11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.858 -1.861 -11.559 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.611 -2.053 -9.835 1.00 0.00 H new ATOM 0 HG LEU A 92 0.082 0.226 -10.899 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.550 -1.141 -12.171 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.055 -1.184 -12.939 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.508 -2.569 -11.974 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.744 -0.941 -9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.701 -2.369 -9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.278 -0.840 -8.686 1.00 0.00 H new ATOM 963 N LEU A 93 2.276 0.296 -8.012 1.00 0.00 N ATOM 964 CA LEU A 93 1.781 1.039 -6.819 1.00 0.00 C ATOM 965 C LEU A 93 2.232 2.499 -6.906 1.00 0.00 C ATOM 966 O LEU A 93 1.596 3.388 -6.375 1.00 0.00 O ATOM 967 CB LEU A 93 2.351 0.404 -5.549 1.00 0.00 C ATOM 968 CG LEU A 93 1.688 -0.955 -5.316 1.00 0.00 C ATOM 969 CD1 LEU A 93 2.531 -1.773 -4.335 1.00 0.00 C ATOM 970 CD2 LEU A 93 0.289 -0.745 -4.732 1.00 0.00 C ATOM 0 H LEU A 93 2.898 -0.487 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 93 0.692 0.995 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.430 0.283 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.177 1.057 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 93 1.612 -1.489 -6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.059 -2.741 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.528 -1.922 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.607 -1.239 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.185 -1.712 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.366 -0.211 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.313 -0.162 -5.429 1.00 0.00 H new ATOM 982 N LYS A 94 3.326 2.753 -7.571 1.00 0.00 N ATOM 983 CA LYS A 94 3.816 4.154 -7.691 1.00 0.00 C ATOM 984 C LYS A 94 2.806 4.982 -8.488 1.00 0.00 C ATOM 985 O LYS A 94 2.196 5.898 -7.974 1.00 0.00 O ATOM 986 CB LYS A 94 5.165 4.162 -8.414 1.00 0.00 C ATOM 987 CG LYS A 94 5.721 5.587 -8.444 1.00 0.00 C ATOM 988 CD LYS A 94 6.828 5.681 -9.496 1.00 0.00 C ATOM 989 CE LYS A 94 7.344 7.119 -9.568 1.00 0.00 C ATOM 990 NZ LYS A 94 8.290 7.251 -10.712 1.00 0.00 N ATOM 0 H LYS A 94 3.901 2.050 -8.036 1.00 0.00 H new ATOM 0 HA LYS A 94 3.934 4.584 -6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.865 3.498 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.047 3.785 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.925 6.295 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.113 5.857 -7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.643 5.003 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.447 5.371 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.510 7.810 -9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.844 7.384 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.641 8.229 -10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.091 6.602 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.799 7.015 -11.598 1.00 0.00 H new ATOM 1004 N SER A 95 2.623 4.666 -9.741 1.00 0.00 N ATOM 1005 CA SER A 95 1.652 5.435 -10.569 1.00 0.00 C ATOM 1006 C SER A 95 0.244 5.262 -9.996 1.00 0.00 C ATOM 1007 O SER A 95 -0.663 6.002 -10.320 1.00 0.00 O ATOM 1008 CB SER A 95 1.684 4.914 -12.007 1.00 0.00 C ATOM 1009 OG SER A 95 2.398 5.833 -12.823 1.00 0.00 O ATOM 0 H SER A 95 3.104 3.909 -10.227 1.00 0.00 H new ATOM 0 HA SER A 95 1.922 6.491 -10.558 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.160 3.934 -12.041 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.669 4.788 -12.383 1.00 0.00 H new ATOM 0 HG SER A 95 2.422 5.502 -13.745 1.00 0.00 H new ATOM 1015 N LEU A 96 0.055 4.292 -9.144 1.00 0.00 N ATOM 1016 CA LEU A 96 -1.294 4.073 -8.551 1.00 0.00 C ATOM 1017 C LEU A 96 -1.605 5.200 -7.563 1.00 0.00 C ATOM 1018 O LEU A 96 -2.588 5.901 -7.696 1.00 0.00 O ATOM 1019 CB LEU A 96 -1.317 2.731 -7.816 1.00 0.00 C ATOM 1020 CG LEU A 96 -2.603 2.619 -6.997 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -3.010 1.149 -6.883 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -2.367 3.192 -5.598 1.00 0.00 C ATOM 0 H LEU A 96 0.777 3.642 -8.833 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.042 4.066 -9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.257 1.911 -8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.449 2.648 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.398 3.178 -7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.927 1.070 -6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.178 0.740 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.216 0.589 -6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.283 3.113 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.572 2.632 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.077 4.240 -5.678 1.00 0.00 H new ATOM 1034 N LEU A 97 -0.774 5.380 -6.573 1.00 0.00 N ATOM 1035 CA LEU A 97 -1.023 6.461 -5.579 1.00 0.00 C ATOM 1036 C LEU A 97 -0.916 7.823 -6.269 1.00 0.00 C ATOM 1037 O LEU A 97 -1.593 8.766 -5.910 1.00 0.00 O ATOM 1038 CB LEU A 97 0.016 6.374 -4.459 1.00 0.00 C ATOM 1039 CG LEU A 97 -0.678 6.527 -3.105 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -1.420 7.864 -3.059 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -1.678 5.384 -2.914 1.00 0.00 C ATOM 0 H LEU A 97 0.066 4.825 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.022 6.344 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.538 5.418 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.767 7.154 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 97 0.067 6.497 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.915 7.973 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.710 8.679 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.165 7.894 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.174 5.492 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.422 5.415 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.151 4.430 -2.947 1.00 0.00 H new ATOM 1053 N GLU A 98 -0.071 7.933 -7.257 1.00 0.00 N ATOM 1054 CA GLU A 98 0.078 9.234 -7.968 1.00 0.00 C ATOM 1055 C GLU A 98 -1.205 9.541 -8.744 1.00 0.00 C ATOM 1056 O GLU A 98 -1.543 10.685 -8.974 1.00 0.00 O ATOM 1057 CB GLU A 98 1.255 9.151 -8.942 1.00 0.00 C ATOM 1058 CG GLU A 98 2.568 9.145 -8.157 1.00 0.00 C ATOM 1059 CD GLU A 98 2.800 10.525 -7.539 1.00 0.00 C ATOM 1060 OE1 GLU A 98 2.000 11.409 -7.797 1.00 0.00 O ATOM 1061 OE2 GLU A 98 3.773 10.674 -6.818 1.00 0.00 O ATOM 0 H GLU A 98 0.522 7.179 -7.602 1.00 0.00 H new ATOM 0 HA GLU A 98 0.262 10.026 -7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.177 8.248 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.233 9.998 -9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.533 8.386 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.397 8.886 -8.816 1.00 0.00 H new ATOM 1068 N ALA A 99 -1.921 8.529 -9.148 1.00 0.00 N ATOM 1069 CA ALA A 99 -3.181 8.764 -9.909 1.00 0.00 C ATOM 1070 C ALA A 99 -4.189 9.488 -9.014 1.00 0.00 C ATOM 1071 O ALA A 99 -4.991 10.275 -9.476 1.00 0.00 O ATOM 1072 CB ALA A 99 -3.766 7.423 -10.354 1.00 0.00 C ATOM 0 H ALA A 99 -1.689 7.549 -8.984 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.967 9.376 -10.786 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.687 7.595 -10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.048 6.906 -10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.980 6.811 -9.478 1.00 0.00 H new ATOM 1078 N LYS A 100 -4.155 9.230 -7.735 1.00 0.00 N ATOM 1079 CA LYS A 100 -5.111 9.904 -6.813 1.00 0.00 C ATOM 1080 C LYS A 100 -4.604 11.311 -6.492 1.00 0.00 C ATOM 1081 O LYS A 100 -5.330 12.141 -5.981 1.00 0.00 O ATOM 1082 CB LYS A 100 -5.227 9.096 -5.518 1.00 0.00 C ATOM 1083 CG LYS A 100 -6.256 7.979 -5.703 1.00 0.00 C ATOM 1084 CD LYS A 100 -6.851 7.603 -4.345 1.00 0.00 C ATOM 1085 CE LYS A 100 -7.898 6.504 -4.532 1.00 0.00 C ATOM 1086 NZ LYS A 100 -9.161 6.899 -3.847 1.00 0.00 N ATOM 0 H LYS A 100 -3.506 8.581 -7.289 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.089 9.970 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.258 8.672 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.525 9.747 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.045 8.306 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.785 7.108 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.064 7.259 -3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.306 8.478 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.083 6.340 -5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.530 5.563 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.873 6.152 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.978 7.034 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.515 7.787 -4.256 1.00 0.00 H new ATOM 1100 N GLY A 101 -3.363 11.587 -6.787 1.00 0.00 N ATOM 1101 CA GLY A 101 -2.812 12.941 -6.499 1.00 0.00 C ATOM 1102 C GLY A 101 -2.451 13.041 -5.016 1.00 0.00 C ATOM 1103 O GLY A 101 -2.183 14.110 -4.503 1.00 0.00 O ATOM 0 H GLY A 101 -2.707 10.933 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.929 13.124 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.544 13.706 -6.758 1.00 0.00 H new ATOM 1107 N MET A 102 -2.443 11.936 -4.321 1.00 0.00 N ATOM 1108 CA MET A 102 -2.099 11.970 -2.872 1.00 0.00 C ATOM 1109 C MET A 102 -0.582 11.871 -2.705 1.00 0.00 C ATOM 1110 O MET A 102 0.116 11.377 -3.568 1.00 0.00 O ATOM 1111 CB MET A 102 -2.768 10.791 -2.162 1.00 0.00 C ATOM 1112 CG MET A 102 -4.279 11.024 -2.095 1.00 0.00 C ATOM 1113 SD MET A 102 -4.883 10.597 -0.444 1.00 0.00 S ATOM 1114 CE MET A 102 -4.231 8.910 -0.393 1.00 0.00 C ATOM 0 H MET A 102 -2.660 11.012 -4.694 1.00 0.00 H new ATOM 0 HA MET A 102 -2.452 12.905 -2.437 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.556 9.864 -2.695 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.362 10.681 -1.157 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.507 12.066 -2.319 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.785 10.418 -2.847 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.931 8.265 0.138 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.097 8.541 -1.410 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.271 8.906 0.124 1.00 0.00 H new ATOM 1124 N LYS A 103 -0.065 12.338 -1.601 1.00 0.00 N ATOM 1125 CA LYS A 103 1.407 12.271 -1.380 1.00 0.00 C ATOM 1126 C LYS A 103 1.787 10.868 -0.902 1.00 0.00 C ATOM 1127 O LYS A 103 1.500 10.484 0.215 1.00 0.00 O ATOM 1128 CB LYS A 103 1.811 13.298 -0.321 1.00 0.00 C ATOM 1129 CG LYS A 103 2.742 14.338 -0.948 1.00 0.00 C ATOM 1130 CD LYS A 103 4.196 13.970 -0.647 1.00 0.00 C ATOM 1131 CE LYS A 103 5.114 15.109 -1.094 1.00 0.00 C ATOM 1132 NZ LYS A 103 6.536 14.707 -0.899 1.00 0.00 N ATOM 0 H LYS A 103 -0.599 12.763 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 103 1.925 12.490 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.925 13.786 0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.311 12.801 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 103 2.583 14.382 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 103 2.517 15.328 -0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 103 4.322 13.785 0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 103 4.464 13.049 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.933 15.346 -2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.898 16.011 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.160 15.481 -1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.704 14.501 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.737 13.858 -1.464 1.00 0.00 H new ATOM 1146 N VAL A 104 2.430 10.100 -1.738 1.00 0.00 N ATOM 1147 CA VAL A 104 2.828 8.723 -1.329 1.00 0.00 C ATOM 1148 C VAL A 104 4.318 8.704 -0.982 1.00 0.00 C ATOM 1149 O VAL A 104 5.096 9.480 -1.500 1.00 0.00 O ATOM 1150 CB VAL A 104 2.560 7.753 -2.481 1.00 0.00 C ATOM 1151 CG1 VAL A 104 3.423 8.137 -3.684 1.00 0.00 C ATOM 1152 CG2 VAL A 104 2.909 6.330 -2.039 1.00 0.00 C ATOM 0 H VAL A 104 2.697 10.366 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 104 2.249 8.421 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 104 1.507 7.802 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.232 7.446 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.177 9.151 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.476 8.088 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.719 5.637 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.962 6.283 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.295 6.055 -1.181 1.00 0.00 H new ATOM 1162 N LYS A 105 4.722 7.822 -0.109 1.00 0.00 N ATOM 1163 CA LYS A 105 6.161 7.754 0.270 1.00 0.00 C ATOM 1164 C LYS A 105 6.743 6.411 -0.176 1.00 0.00 C ATOM 1165 O LYS A 105 6.900 5.500 0.612 1.00 0.00 O ATOM 1166 CB LYS A 105 6.296 7.890 1.788 1.00 0.00 C ATOM 1167 CG LYS A 105 6.978 9.218 2.123 1.00 0.00 C ATOM 1168 CD LYS A 105 8.479 8.989 2.311 1.00 0.00 C ATOM 1169 CE LYS A 105 9.213 10.329 2.242 1.00 0.00 C ATOM 1170 NZ LYS A 105 10.618 10.104 1.800 1.00 0.00 N ATOM 0 H LYS A 105 4.118 7.146 0.358 1.00 0.00 H new ATOM 0 HA LYS A 105 6.704 8.565 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.313 7.846 2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.878 7.059 2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.807 9.939 1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.548 9.641 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 105 8.667 8.509 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.854 8.317 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.705 10.999 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.201 10.813 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 11.117 11.015 1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.100 9.480 2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.619 9.660 0.860 1.00 0.00 H new ATOM 1184 N LEU A 106 7.065 6.281 -1.434 1.00 0.00 N ATOM 1185 CA LEU A 106 7.636 4.997 -1.928 1.00 0.00 C ATOM 1186 C LEU A 106 8.737 4.528 -0.974 1.00 0.00 C ATOM 1187 O LEU A 106 9.854 5.004 -1.018 1.00 0.00 O ATOM 1188 CB LEU A 106 8.225 5.205 -3.325 1.00 0.00 C ATOM 1189 CG LEU A 106 8.321 3.859 -4.044 1.00 0.00 C ATOM 1190 CD1 LEU A 106 8.489 4.093 -5.546 1.00 0.00 C ATOM 1191 CD2 LEU A 106 9.527 3.082 -3.512 1.00 0.00 C ATOM 0 H LEU A 106 6.957 7.009 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 106 6.850 4.243 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.599 5.891 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.212 5.661 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 106 7.411 3.286 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.557 3.133 -6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.631 4.647 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.399 4.666 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.596 2.122 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.437 3.655 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.408 2.914 -2.442 1.00 0.00 H new ATOM 1203 N ALA A 107 8.431 3.598 -0.112 1.00 0.00 N ATOM 1204 CA ALA A 107 9.461 3.099 0.843 1.00 0.00 C ATOM 1205 C ALA A 107 10.055 1.792 0.316 1.00 0.00 C ATOM 1206 O ALA A 107 9.343 0.884 -0.065 1.00 0.00 O ATOM 1207 CB ALA A 107 8.813 2.852 2.207 1.00 0.00 C ATOM 0 H ALA A 107 7.513 3.162 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 107 10.252 3.842 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.565 2.487 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.390 3.784 2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.022 2.109 2.105 1.00 0.00 H new