USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 563 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -5.62! C(o=-6.8!,f=-5.6!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.00071) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0596 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 168:sc= -0.103 (180deg=-0.305) USER MOD Single : A 56 LYS NZ :NH3+ 140:sc= -1.26 (180deg=-3.62!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc=-0.00154 (180deg=-0.438) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -12.320 2.924 -9.201 1.00 0.00 N ATOM 14 CA LEU A 2 -11.370 1.984 -8.618 1.00 0.00 C ATOM 15 C LEU A 2 -9.968 2.582 -8.576 1.00 0.00 C ATOM 16 O LEU A 2 -9.712 3.635 -9.159 1.00 0.00 O ATOM 17 CB LEU A 2 -11.355 0.678 -9.418 1.00 0.00 C ATOM 18 CG LEU A 2 -12.582 -0.214 -9.226 1.00 0.00 C ATOM 19 CD1 LEU A 2 -13.317 -0.399 -10.544 1.00 0.00 C ATOM 20 CD2 LEU A 2 -12.177 -1.561 -8.646 1.00 0.00 C ATOM 0 HA LEU A 2 -11.687 1.774 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.263 0.920 -10.477 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.466 0.111 -9.142 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.256 0.274 -8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -14.187 -1.036 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.640 0.572 -10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.651 -0.865 -11.270 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.063 -2.182 -8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.483 -2.056 -9.325 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.694 -1.411 -7.680 1.00 0.00 H new ATOM 32 N VAL A 3 -9.063 1.900 -7.881 1.00 0.00 N ATOM 33 CA VAL A 3 -7.685 2.360 -7.760 1.00 0.00 C ATOM 34 C VAL A 3 -6.733 1.182 -7.566 1.00 0.00 C ATOM 35 O VAL A 3 -7.139 0.101 -7.143 1.00 0.00 O ATOM 36 CB VAL A 3 -7.530 3.357 -6.583 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.066 3.550 -6.200 1.00 0.00 C ATOM 38 CG2 VAL A 3 -8.172 4.691 -6.935 1.00 0.00 C ATOM 0 H VAL A 3 -9.260 1.026 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.429 2.872 -8.687 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.042 2.936 -5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.997 4.255 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.640 2.593 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.514 3.940 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.056 5.382 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.688 5.106 -7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.232 4.542 -7.138 1.00 0.00 H new ATOM 48 N GLU A 4 -5.461 1.414 -7.869 1.00 0.00 N ATOM 49 CA GLU A 4 -4.433 0.388 -7.727 1.00 0.00 C ATOM 50 C GLU A 4 -3.189 0.972 -7.068 1.00 0.00 C ATOM 51 O GLU A 4 -2.373 1.619 -7.726 1.00 0.00 O ATOM 52 CB GLU A 4 -4.067 -0.220 -9.088 1.00 0.00 C ATOM 53 CG GLU A 4 -4.490 0.623 -10.285 1.00 0.00 C ATOM 54 CD GLU A 4 -3.976 0.069 -11.599 1.00 0.00 C ATOM 55 OE1 GLU A 4 -4.613 -0.857 -12.143 1.00 0.00 O ATOM 56 OE2 GLU A 4 -2.935 0.561 -12.083 1.00 0.00 O ATOM 0 H GLU A 4 -5.115 2.308 -8.216 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.835 -0.404 -7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.988 -0.370 -9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.529 -1.204 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.578 0.679 -10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.123 1.641 -10.156 1.00 0.00 H new ATOM 63 N LEU A 5 -3.047 0.745 -5.766 1.00 0.00 N ATOM 64 CA LEU A 5 -1.898 1.256 -5.027 1.00 0.00 C ATOM 65 C LEU A 5 -0.604 0.655 -5.565 1.00 0.00 C ATOM 66 O LEU A 5 -0.508 -0.555 -5.766 1.00 0.00 O ATOM 67 CB LEU A 5 -2.041 0.951 -3.535 1.00 0.00 C ATOM 68 CG LEU A 5 -2.927 1.925 -2.756 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.145 1.431 -1.335 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.315 3.318 -2.747 1.00 0.00 C ATOM 0 H LEU A 5 -3.710 0.213 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.861 2.337 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.447 -0.054 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.049 0.946 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.895 1.978 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.777 2.137 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.630 0.455 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.184 1.346 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.961 3.995 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.333 3.281 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.212 3.677 -3.771 1.00 0.00 H new ATOM 82 N LYS A 6 0.386 1.509 -5.806 1.00 0.00 N ATOM 83 CA LYS A 6 1.669 1.057 -6.331 1.00 0.00 C ATOM 84 C LYS A 6 2.828 1.570 -5.480 1.00 0.00 C ATOM 85 O LYS A 6 3.568 2.462 -5.895 1.00 0.00 O ATOM 86 CB LYS A 6 1.838 1.513 -7.783 1.00 0.00 C ATOM 87 CG LYS A 6 0.535 1.579 -8.563 1.00 0.00 C ATOM 88 CD LYS A 6 0.633 0.821 -9.876 1.00 0.00 C ATOM 89 CE LYS A 6 1.613 1.484 -10.831 1.00 0.00 C ATOM 90 NZ LYS A 6 0.918 2.318 -11.849 1.00 0.00 N ATOM 0 H LYS A 6 0.325 2.515 -5.647 1.00 0.00 H new ATOM 0 HA LYS A 6 1.681 -0.032 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.306 2.497 -7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.520 0.831 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.272 1.162 -7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.281 2.620 -8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.949 -0.204 -9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.351 0.769 -10.341 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.307 2.105 -10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.206 0.719 -11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.621 2.752 -12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.274 1.721 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.373 3.064 -11.373 1.00 0.00 H new ATOM 104 N VAL A 7 2.985 0.987 -4.297 1.00 0.00 N ATOM 105 CA VAL A 7 4.056 1.361 -3.384 1.00 0.00 C ATOM 106 C VAL A 7 3.988 2.845 -3.012 1.00 0.00 C ATOM 107 O VAL A 7 3.543 3.672 -3.808 1.00 0.00 O ATOM 108 CB VAL A 7 5.427 1.041 -4.006 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.565 1.562 -3.136 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.569 -0.456 -4.233 1.00 0.00 C ATOM 0 H VAL A 7 2.377 0.247 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 7 3.928 0.778 -2.472 1.00 0.00 H new ATOM 0 HB VAL A 7 5.486 1.548 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.520 1.320 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.476 2.643 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.514 1.096 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.544 -0.666 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.481 -0.978 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.784 -0.798 -4.908 1.00 0.00 H new ATOM 120 N PRO A 8 4.433 3.205 -1.790 1.00 0.00 N ATOM 121 CA PRO A 8 4.425 4.585 -1.320 1.00 0.00 C ATOM 122 C PRO A 8 5.641 5.365 -1.803 1.00 0.00 C ATOM 123 O PRO A 8 6.270 5.006 -2.799 1.00 0.00 O ATOM 124 CB PRO A 8 4.464 4.456 0.213 1.00 0.00 C ATOM 125 CG PRO A 8 4.581 2.989 0.511 1.00 0.00 C ATOM 126 CD PRO A 8 4.983 2.311 -0.769 1.00 0.00 C ATOM 0 HA PRO A 8 3.557 5.128 -1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.309 5.005 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.562 4.873 0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.322 2.812 1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.633 2.593 0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.065 2.215 -0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.567 1.306 -0.843 1.00 0.00 H new ATOM 134 N ASP A 9 5.965 6.432 -1.085 1.00 0.00 N ATOM 135 CA ASP A 9 7.103 7.272 -1.425 1.00 0.00 C ATOM 136 C ASP A 9 8.279 6.999 -0.491 1.00 0.00 C ATOM 137 O ASP A 9 8.323 7.507 0.629 1.00 0.00 O ATOM 138 CB ASP A 9 6.700 8.740 -1.336 1.00 0.00 C ATOM 139 CG ASP A 9 7.529 9.627 -2.243 1.00 0.00 C ATOM 140 OD1 ASP A 9 8.488 9.115 -2.858 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.220 10.834 -2.339 1.00 0.00 O ATOM 0 H ASP A 9 5.451 6.737 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 9 7.414 7.039 -2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.647 8.841 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.805 9.080 -0.306 1.00 0.00 H new ATOM 146 N ILE A 10 9.232 6.199 -0.957 1.00 0.00 N ATOM 147 CA ILE A 10 10.408 5.867 -0.159 1.00 0.00 C ATOM 148 C ILE A 10 11.663 6.503 -0.743 1.00 0.00 C ATOM 149 O ILE A 10 12.541 5.812 -1.257 1.00 0.00 O ATOM 150 CB ILE A 10 10.626 4.339 -0.040 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.034 3.606 -1.244 1.00 0.00 C ATOM 152 CG2 ILE A 10 10.019 3.817 1.254 1.00 0.00 C ATOM 153 CD1 ILE A 10 10.801 3.841 -2.524 1.00 0.00 C ATOM 0 H ILE A 10 9.214 5.769 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 10 10.222 6.267 0.838 1.00 0.00 H new ATOM 0 HB ILE A 10 11.699 4.149 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.011 2.537 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.001 3.926 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.180 2.741 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.492 4.310 2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.949 4.025 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.327 3.292 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.803 4.906 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.827 3.495 -2.402 1.00 0.00 H new ATOM 197 N GLU A 14 13.795 3.029 -6.100 1.00 0.00 N ATOM 198 CA GLU A 14 13.251 1.676 -6.096 1.00 0.00 C ATOM 199 C GLU A 14 14.023 0.775 -5.138 1.00 0.00 C ATOM 200 O GLU A 14 14.874 1.240 -4.381 1.00 0.00 O ATOM 201 CB GLU A 14 13.289 1.095 -7.513 1.00 0.00 C ATOM 202 CG GLU A 14 14.676 1.089 -8.133 1.00 0.00 C ATOM 203 CD GLU A 14 14.699 1.710 -9.516 1.00 0.00 C ATOM 204 OE1 GLU A 14 14.368 2.909 -9.633 1.00 0.00 O ATOM 205 OE2 GLU A 14 15.047 0.999 -10.482 1.00 0.00 O ATOM 0 HA GLU A 14 12.217 1.724 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.907 0.074 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.618 1.671 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.363 1.632 -7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.039 0.063 -8.193 1.00 0.00 H new ATOM 212 N ASN A 15 13.708 -0.513 -5.178 1.00 0.00 N ATOM 213 CA ASN A 15 14.356 -1.502 -4.320 1.00 0.00 C ATOM 214 C ASN A 15 14.403 -1.040 -2.865 1.00 0.00 C ATOM 215 O ASN A 15 15.389 -0.456 -2.415 1.00 0.00 O ATOM 216 CB ASN A 15 15.768 -1.819 -4.829 1.00 0.00 C ATOM 217 CG ASN A 15 16.719 -0.642 -4.714 1.00 0.00 C ATOM 218 OD1 ASN A 15 16.735 0.208 -5.735 1.00 0.00 O flip ATOM 219 ND2 ASN A 15 17.431 -0.500 -3.721 1.00 0.00 N flip ATOM 0 H ASN A 15 13.001 -0.902 -5.801 1.00 0.00 H new ATOM 0 HA ASN A 15 13.758 -2.412 -4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 15 16.171 -2.661 -4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.711 -2.132 -5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.386 -1.178 -2.960 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.066 0.295 -3.659 1.00 0.00 H new ATOM 226 N VAL A 16 13.330 -1.320 -2.133 1.00 0.00 N ATOM 227 CA VAL A 16 13.239 -0.953 -0.724 1.00 0.00 C ATOM 228 C VAL A 16 12.621 -2.098 0.079 1.00 0.00 C ATOM 229 O VAL A 16 12.695 -3.255 -0.335 1.00 0.00 O ATOM 230 CB VAL A 16 12.419 0.342 -0.526 1.00 0.00 C ATOM 231 CG1 VAL A 16 12.946 1.448 -1.426 1.00 0.00 C ATOM 232 CG2 VAL A 16 10.939 0.096 -0.787 1.00 0.00 C ATOM 0 H VAL A 16 12.507 -1.802 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 16 14.250 -0.765 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 16 12.529 0.658 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.357 2.353 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 16 13.989 1.649 -1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.870 1.137 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.385 1.023 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.803 -0.250 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.569 -0.661 -0.096 1.00 0.00 H new ATOM 242 N ASP A 17 12.013 -1.787 1.221 1.00 0.00 N ATOM 243 CA ASP A 17 11.398 -2.820 2.048 1.00 0.00 C ATOM 244 C ASP A 17 10.205 -2.273 2.826 1.00 0.00 C ATOM 245 O ASP A 17 10.255 -1.168 3.370 1.00 0.00 O ATOM 246 CB ASP A 17 12.427 -3.401 3.019 1.00 0.00 C ATOM 247 CG ASP A 17 12.493 -4.914 2.955 1.00 0.00 C ATOM 248 OD1 ASP A 17 11.646 -5.573 3.594 1.00 0.00 O ATOM 249 OD2 ASP A 17 13.392 -5.440 2.266 1.00 0.00 O ATOM 0 H ASP A 17 11.934 -0.840 1.591 1.00 0.00 H new ATOM 0 HA ASP A 17 11.040 -3.608 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.410 -2.987 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.178 -3.094 4.035 1.00 0.00 H new ATOM 254 N ILE A 18 9.135 -3.064 2.885 1.00 0.00 N ATOM 255 CA ILE A 18 7.936 -2.675 3.607 1.00 0.00 C ATOM 256 C ILE A 18 8.153 -2.853 5.103 1.00 0.00 C ATOM 257 O ILE A 18 9.077 -3.548 5.525 1.00 0.00 O ATOM 258 CB ILE A 18 6.716 -3.508 3.148 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.343 -3.137 1.716 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.524 -3.297 4.074 1.00 0.00 C ATOM 261 CD1 ILE A 18 5.914 -4.320 0.874 1.00 0.00 C ATOM 0 H ILE A 18 9.079 -3.979 2.439 1.00 0.00 H new ATOM 0 HA ILE A 18 7.732 -1.626 3.392 1.00 0.00 H new ATOM 0 HB ILE A 18 6.989 -4.563 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.535 -2.406 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.197 -2.654 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.682 -3.895 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.791 -3.601 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.245 -2.243 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.664 -3.980 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.728 -5.043 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.040 -4.790 1.325 1.00 0.00 H new ATOM 273 N ILE A 19 7.311 -2.216 5.901 1.00 0.00 N ATOM 274 CA ILE A 19 7.441 -2.310 7.349 1.00 0.00 C ATOM 275 C ILE A 19 6.090 -2.585 8.029 1.00 0.00 C ATOM 276 O ILE A 19 6.046 -2.860 9.228 1.00 0.00 O ATOM 277 CB ILE A 19 8.136 -1.033 7.961 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.565 -0.675 9.343 1.00 0.00 C ATOM 279 CG2 ILE A 19 8.036 0.180 7.034 1.00 0.00 C ATOM 280 CD1 ILE A 19 8.104 0.614 9.916 1.00 0.00 C ATOM 0 H ILE A 19 6.538 -1.634 5.577 1.00 0.00 H new ATOM 0 HA ILE A 19 8.089 -3.163 7.550 1.00 0.00 H new ATOM 0 HB ILE A 19 9.189 -1.292 8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.480 -0.602 9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.783 -1.488 10.036 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.529 1.034 7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.521 -0.047 6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.987 0.418 6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.653 0.795 10.891 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.186 0.539 10.025 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.863 1.439 9.246 1.00 0.00 H new ATOM 292 N ALA A 20 4.999 -2.504 7.280 1.00 0.00 N ATOM 293 CA ALA A 20 3.684 -2.741 7.854 1.00 0.00 C ATOM 294 C ALA A 20 2.724 -3.325 6.826 1.00 0.00 C ATOM 295 O ALA A 20 2.831 -3.047 5.632 1.00 0.00 O ATOM 296 CB ALA A 20 3.134 -1.445 8.426 1.00 0.00 C ATOM 0 H ALA A 20 4.998 -2.279 6.285 1.00 0.00 H new ATOM 0 HA ALA A 20 3.786 -3.472 8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.149 -1.626 8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.805 -1.076 9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.053 -0.702 7.632 1.00 0.00 H new ATOM 302 N VAL A 21 1.788 -4.140 7.299 1.00 0.00 N ATOM 303 CA VAL A 21 0.806 -4.768 6.424 1.00 0.00 C ATOM 304 C VAL A 21 -0.570 -4.803 7.081 1.00 0.00 C ATOM 305 O VAL A 21 -0.739 -5.370 8.161 1.00 0.00 O ATOM 306 CB VAL A 21 1.227 -6.201 6.049 1.00 0.00 C ATOM 307 CG1 VAL A 21 0.180 -6.856 5.159 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.584 -6.192 5.364 1.00 0.00 C ATOM 0 H VAL A 21 1.689 -4.381 8.285 1.00 0.00 H new ATOM 0 HA VAL A 21 0.754 -4.166 5.517 1.00 0.00 H new ATOM 0 HB VAL A 21 1.306 -6.787 6.965 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.498 -7.867 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.773 -6.897 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.064 -6.274 4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.868 -7.212 5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.530 -5.589 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.329 -5.768 6.038 1.00 0.00 H new ATOM 318 N GLU A 22 -1.551 -4.195 6.421 1.00 0.00 N ATOM 319 CA GLU A 22 -2.913 -4.157 6.942 1.00 0.00 C ATOM 320 C GLU A 22 -3.929 -4.297 5.814 1.00 0.00 C ATOM 321 O GLU A 22 -5.050 -3.796 5.910 1.00 0.00 O ATOM 322 CB GLU A 22 -3.155 -2.853 7.703 1.00 0.00 C ATOM 323 CG GLU A 22 -2.264 -2.685 8.925 1.00 0.00 C ATOM 324 CD GLU A 22 -1.495 -1.379 8.910 1.00 0.00 C ATOM 325 OE1 GLU A 22 -0.385 -1.349 8.340 1.00 0.00 O ATOM 326 OE2 GLU A 22 -2.004 -0.385 9.470 1.00 0.00 O ATOM 0 H GLU A 22 -1.428 -3.722 5.525 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.037 -4.996 7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.993 -2.013 7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.198 -2.814 8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.876 -2.732 9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.561 -3.516 8.974 1.00 0.00 H new ATOM 333 N VAL A 23 -3.531 -4.980 4.746 1.00 0.00 N ATOM 334 CA VAL A 23 -4.407 -5.185 3.600 1.00 0.00 C ATOM 335 C VAL A 23 -4.690 -6.668 3.382 1.00 0.00 C ATOM 336 O VAL A 23 -3.768 -7.474 3.260 1.00 0.00 O ATOM 337 CB VAL A 23 -3.799 -4.596 2.315 1.00 0.00 C ATOM 338 CG1 VAL A 23 -3.949 -3.083 2.297 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.336 -4.995 2.185 1.00 0.00 C ATOM 0 H VAL A 23 -2.607 -5.401 4.651 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.341 -4.668 3.820 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.340 -5.002 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.513 -2.685 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.006 -2.822 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.435 -2.656 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.923 -4.570 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.779 -4.620 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.257 -6.081 2.148 1.00 0.00 H new ATOM 349 N ASN A 24 -5.970 -7.018 3.333 1.00 0.00 N ATOM 350 CA ASN A 24 -6.379 -8.403 3.129 1.00 0.00 C ATOM 351 C ASN A 24 -7.540 -8.503 2.142 1.00 0.00 C ATOM 352 O ASN A 24 -8.158 -9.558 2.004 1.00 0.00 O ATOM 353 CB ASN A 24 -6.783 -9.031 4.461 1.00 0.00 C ATOM 354 CG ASN A 24 -5.593 -9.564 5.235 1.00 0.00 C ATOM 355 OD1 ASN A 24 -4.922 -10.499 4.798 1.00 0.00 O ATOM 356 ND2 ASN A 24 -5.326 -8.969 6.391 1.00 0.00 N ATOM 0 H ASN A 24 -6.744 -6.361 3.432 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.529 -8.943 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.303 -8.289 5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.487 -9.843 4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.537 -9.283 6.956 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.909 -8.197 6.714 1.00 0.00 H new ATOM 363 N VAL A 25 -7.835 -7.402 1.456 1.00 0.00 N ATOM 364 CA VAL A 25 -8.921 -7.375 0.487 1.00 0.00 C ATOM 365 C VAL A 25 -10.263 -7.649 1.161 1.00 0.00 C ATOM 366 O VAL A 25 -10.418 -8.638 1.877 1.00 0.00 O ATOM 367 CB VAL A 25 -8.691 -8.409 -0.631 1.00 0.00 C ATOM 368 CG1 VAL A 25 -9.862 -8.429 -1.605 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.388 -8.121 -1.362 1.00 0.00 C ATOM 0 H VAL A 25 -7.336 -6.518 1.555 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.940 -6.377 0.049 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.619 -9.395 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.674 -9.167 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.775 -8.690 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.975 -7.444 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.241 -8.861 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.431 -7.125 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.557 -8.170 -0.658 1.00 0.00 H new ATOM 379 N GLY A 26 -11.229 -6.769 0.924 1.00 0.00 N ATOM 380 CA GLY A 26 -12.544 -6.935 1.514 1.00 0.00 C ATOM 381 C GLY A 26 -12.844 -5.890 2.572 1.00 0.00 C ATOM 382 O GLY A 26 -14.006 -5.627 2.880 1.00 0.00 O ATOM 0 H GLY A 26 -11.125 -5.944 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.299 -6.881 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.616 -7.928 1.958 1.00 0.00 H new ATOM 386 N ASP A 27 -11.794 -5.295 3.129 1.00 0.00 N ATOM 387 CA ASP A 27 -11.954 -4.275 4.158 1.00 0.00 C ATOM 388 C ASP A 27 -12.353 -2.939 3.542 1.00 0.00 C ATOM 389 O ASP A 27 -12.028 -2.652 2.390 1.00 0.00 O ATOM 390 CB ASP A 27 -10.656 -4.116 4.954 1.00 0.00 C ATOM 391 CG ASP A 27 -10.371 -5.312 5.840 1.00 0.00 C ATOM 392 OD1 ASP A 27 -11.171 -6.271 5.818 1.00 0.00 O ATOM 393 OD2 ASP A 27 -9.349 -5.290 6.557 1.00 0.00 O ATOM 0 H ASP A 27 -10.825 -5.501 2.885 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.749 -4.595 4.832 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.825 -3.973 4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.718 -3.218 5.569 1.00 0.00 H new ATOM 398 N THR A 28 -13.061 -2.123 4.318 1.00 0.00 N ATOM 399 CA THR A 28 -13.505 -0.817 3.848 1.00 0.00 C ATOM 400 C THR A 28 -12.407 0.227 4.025 1.00 0.00 C ATOM 401 O THR A 28 -11.936 0.463 5.138 1.00 0.00 O ATOM 402 CB THR A 28 -14.764 -0.383 4.601 1.00 0.00 C ATOM 403 OG1 THR A 28 -15.754 -1.394 4.547 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.376 0.891 4.059 1.00 0.00 C ATOM 0 H THR A 28 -13.339 -2.344 5.274 1.00 0.00 H new ATOM 0 HA THR A 28 -13.735 -0.899 2.786 1.00 0.00 H new ATOM 0 HB THR A 28 -14.440 -0.203 5.626 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.550 -1.098 5.036 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.265 1.142 4.638 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.653 1.703 4.134 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.652 0.746 3.014 1.00 0.00 H new ATOM 412 N ILE A 29 -12.002 0.847 2.921 1.00 0.00 N ATOM 413 CA ILE A 29 -10.958 1.864 2.956 1.00 0.00 C ATOM 414 C ILE A 29 -11.536 3.255 2.716 1.00 0.00 C ATOM 415 O ILE A 29 -12.573 3.406 2.072 1.00 0.00 O ATOM 416 CB ILE A 29 -9.868 1.587 1.904 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.492 1.454 0.514 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.090 0.330 2.265 1.00 0.00 C ATOM 419 CD1 ILE A 29 -9.964 2.460 -0.486 1.00 0.00 C ATOM 0 H ILE A 29 -12.381 0.663 1.992 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.513 1.824 3.950 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.175 2.428 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.307 0.448 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.573 1.570 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.323 0.148 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.618 0.461 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.770 -0.521 2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.451 2.306 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.172 3.469 -0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.888 2.330 -0.599 1.00 0.00 H new ATOM 431 N ALA A 30 -10.855 4.270 3.240 1.00 0.00 N ATOM 432 CA ALA A 30 -11.296 5.651 3.084 1.00 0.00 C ATOM 433 C ALA A 30 -10.133 6.550 2.683 1.00 0.00 C ATOM 434 O ALA A 30 -9.019 6.078 2.459 1.00 0.00 O ATOM 435 CB ALA A 30 -11.935 6.149 4.371 1.00 0.00 C ATOM 0 H ALA A 30 -9.995 4.161 3.777 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.040 5.685 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.260 7.181 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.796 5.526 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.208 6.097 5.182 1.00 0.00 H new ATOM 441 N VAL A 31 -10.397 7.849 2.589 1.00 0.00 N ATOM 442 CA VAL A 31 -9.368 8.810 2.211 1.00 0.00 C ATOM 443 C VAL A 31 -8.575 9.285 3.426 1.00 0.00 C ATOM 444 O VAL A 31 -8.364 10.485 3.609 1.00 0.00 O ATOM 445 CB VAL A 31 -9.977 10.033 1.502 1.00 0.00 C ATOM 446 CG1 VAL A 31 -8.897 10.834 0.790 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.060 9.599 0.525 1.00 0.00 C ATOM 0 H VAL A 31 -11.313 8.260 2.769 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.696 8.295 1.525 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.434 10.675 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.348 11.694 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.161 11.178 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.407 10.204 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.479 10.477 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.629 8.934 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.848 9.075 1.065 1.00 0.00 H new ATOM 457 N ASP A 32 -8.135 8.338 4.256 1.00 0.00 N ATOM 458 CA ASP A 32 -7.363 8.661 5.455 1.00 0.00 C ATOM 459 C ASP A 32 -7.266 7.453 6.383 1.00 0.00 C ATOM 460 O ASP A 32 -7.935 7.400 7.416 1.00 0.00 O ATOM 461 CB ASP A 32 -7.996 9.836 6.206 1.00 0.00 C ATOM 462 CG ASP A 32 -9.512 9.782 6.189 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.068 8.678 6.368 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.143 10.844 5.999 1.00 0.00 O ATOM 0 H ASP A 32 -8.301 7.341 4.119 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.359 8.941 5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.646 9.835 7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.663 10.772 5.758 1.00 0.00 H new ATOM 469 N ASP A 33 -6.434 6.484 6.012 1.00 0.00 N ATOM 470 CA ASP A 33 -6.258 5.280 6.818 1.00 0.00 C ATOM 471 C ASP A 33 -4.955 4.574 6.466 1.00 0.00 C ATOM 472 O ASP A 33 -4.767 4.128 5.335 1.00 0.00 O ATOM 473 CB ASP A 33 -7.438 4.326 6.616 1.00 0.00 C ATOM 474 CG ASP A 33 -7.918 4.297 5.179 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.255 5.373 4.645 1.00 0.00 O ATOM 476 OD2 ASP A 33 -7.957 3.197 4.588 1.00 0.00 O ATOM 0 H ASP A 33 -5.873 6.509 5.161 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.217 5.580 7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.145 3.321 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.260 4.627 7.265 1.00 0.00 H new ATOM 481 N THR A 34 -4.055 4.473 7.437 1.00 0.00 N ATOM 482 CA THR A 34 -2.772 3.819 7.216 1.00 0.00 C ATOM 483 C THR A 34 -2.958 2.372 6.788 1.00 0.00 C ATOM 484 O THR A 34 -3.497 1.553 7.532 1.00 0.00 O ATOM 485 CB THR A 34 -1.907 3.880 8.463 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.700 4.026 9.628 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.904 5.012 8.436 1.00 0.00 C ATOM 0 H THR A 34 -4.190 4.834 8.381 1.00 0.00 H new ATOM 0 HA THR A 34 -2.268 4.357 6.413 1.00 0.00 H new ATOM 0 HB THR A 34 -1.364 2.935 8.482 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.119 4.061 10.417 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.318 5.001 9.355 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.240 4.890 7.580 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.431 5.963 8.354 1.00 0.00 H new ATOM 495 N LEU A 35 -2.494 2.065 5.585 1.00 0.00 N ATOM 496 CA LEU A 35 -2.589 0.717 5.047 1.00 0.00 C ATOM 497 C LEU A 35 -1.319 -0.059 5.360 1.00 0.00 C ATOM 498 O LEU A 35 -1.372 -1.209 5.793 1.00 0.00 O ATOM 499 CB LEU A 35 -2.824 0.757 3.536 1.00 0.00 C ATOM 500 CG LEU A 35 -4.029 1.587 3.095 1.00 0.00 C ATOM 501 CD1 LEU A 35 -4.196 1.525 1.585 1.00 0.00 C ATOM 502 CD2 LEU A 35 -5.292 1.104 3.794 1.00 0.00 C ATOM 0 H LEU A 35 -2.046 2.736 4.961 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.436 0.215 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.931 1.155 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.952 -0.264 3.176 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.855 2.625 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.059 2.122 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.301 1.918 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.348 0.490 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.141 1.706 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.470 0.059 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.171 1.201 4.873 1.00 0.00 H new ATOM 514 N ILE A 36 -0.175 0.589 5.150 1.00 0.00 N ATOM 515 CA ILE A 36 1.114 -0.035 5.425 1.00 0.00 C ATOM 516 C ILE A 36 2.182 0.998 5.750 1.00 0.00 C ATOM 517 O ILE A 36 1.925 2.202 5.751 1.00 0.00 O ATOM 518 CB ILE A 36 1.610 -0.911 4.248 1.00 0.00 C ATOM 519 CG1 ILE A 36 1.581 -0.174 2.897 1.00 0.00 C ATOM 520 CG2 ILE A 36 0.778 -2.173 4.159 1.00 0.00 C ATOM 521 CD1 ILE A 36 1.948 1.294 2.949 1.00 0.00 C ATOM 0 H ILE A 36 -0.116 1.542 4.792 1.00 0.00 H new ATOM 0 HA ILE A 36 0.950 -0.674 6.293 1.00 0.00 H new ATOM 0 HB ILE A 36 2.651 -1.158 4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.264 -0.678 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.581 -0.266 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.132 -2.785 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.869 -2.735 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.267 -1.909 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.896 1.718 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.251 1.820 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.961 1.402 3.337 1.00 0.00 H new ATOM 533 N THR A 37 3.387 0.511 5.996 1.00 0.00 N ATOM 534 CA THR A 37 4.519 1.367 6.288 1.00 0.00 C ATOM 535 C THR A 37 5.709 0.916 5.454 1.00 0.00 C ATOM 536 O THR A 37 5.871 -0.274 5.188 1.00 0.00 O ATOM 537 CB THR A 37 4.857 1.322 7.780 1.00 0.00 C ATOM 538 OG1 THR A 37 3.674 1.292 8.559 1.00 0.00 O ATOM 539 CG2 THR A 37 5.680 2.504 8.243 1.00 0.00 C ATOM 0 H THR A 37 3.605 -0.485 5.998 1.00 0.00 H new ATOM 0 HA THR A 37 4.270 2.397 6.035 1.00 0.00 H new ATOM 0 HB THR A 37 5.445 0.415 7.917 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.909 1.262 9.510 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.884 2.410 9.310 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.621 2.529 7.694 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.128 3.426 8.059 1.00 0.00 H new ATOM 547 N LEU A 38 6.533 1.861 5.030 1.00 0.00 N ATOM 548 CA LEU A 38 7.695 1.539 4.213 1.00 0.00 C ATOM 549 C LEU A 38 8.968 2.122 4.809 1.00 0.00 C ATOM 550 O LEU A 38 8.959 2.656 5.918 1.00 0.00 O ATOM 551 CB LEU A 38 7.497 2.063 2.793 1.00 0.00 C ATOM 552 CG LEU A 38 7.529 1.000 1.697 1.00 0.00 C ATOM 553 CD1 LEU A 38 6.146 0.400 1.499 1.00 0.00 C ATOM 554 CD2 LEU A 38 8.047 1.600 0.399 1.00 0.00 C ATOM 0 H LEU A 38 6.421 2.854 5.236 1.00 0.00 H new ATOM 0 HA LEU A 38 7.799 0.454 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.540 2.583 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.272 2.801 2.584 1.00 0.00 H new ATOM 0 HG LEU A 38 8.206 0.202 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.186 -0.356 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.812 -0.060 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.447 1.185 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.065 0.833 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.392 2.414 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.055 1.984 0.553 1.00 0.00 H new ATOM 566 N GLU A 39 10.062 2.018 4.063 1.00 0.00 N ATOM 567 CA GLU A 39 11.342 2.535 4.520 1.00 0.00 C ATOM 568 C GLU A 39 12.394 2.470 3.421 1.00 0.00 C ATOM 569 O GLU A 39 12.163 1.902 2.354 1.00 0.00 O ATOM 570 CB GLU A 39 11.818 1.742 5.731 1.00 0.00 C ATOM 571 CG GLU A 39 12.746 2.523 6.647 1.00 0.00 C ATOM 572 CD GLU A 39 12.680 2.048 8.085 1.00 0.00 C ATOM 573 OE1 GLU A 39 11.899 1.114 8.367 1.00 0.00 O ATOM 574 OE2 GLU A 39 13.410 2.608 8.930 1.00 0.00 O ATOM 0 H GLU A 39 10.086 1.581 3.142 1.00 0.00 H new ATOM 0 HA GLU A 39 11.202 3.581 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.950 1.413 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.332 0.844 5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.770 2.432 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.486 3.581 6.605 1.00 0.00 H new ATOM 581 N THR A 40 13.555 3.058 3.694 1.00 0.00 N ATOM 582 CA THR A 40 14.653 3.073 2.735 1.00 0.00 C ATOM 583 C THR A 40 15.990 2.909 3.450 1.00 0.00 C ATOM 584 O THR A 40 16.047 2.391 4.566 1.00 0.00 O ATOM 585 CB THR A 40 14.649 4.381 1.935 1.00 0.00 C ATOM 586 OG1 THR A 40 15.429 5.369 2.583 1.00 0.00 O ATOM 587 CG2 THR A 40 13.270 4.958 1.724 1.00 0.00 C ATOM 0 H THR A 40 13.759 3.531 4.574 1.00 0.00 H new ATOM 0 HA THR A 40 14.516 2.238 2.048 1.00 0.00 H new ATOM 0 HB THR A 40 15.066 4.118 0.963 1.00 0.00 H new ATOM 0 HG1 THR A 40 15.415 6.195 2.056 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.346 5.882 1.151 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.656 4.242 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.811 5.167 2.690 1.00 0.00 H new ATOM 595 N ASP A 41 17.061 3.357 2.806 1.00 0.00 N ATOM 596 CA ASP A 41 18.393 3.265 3.388 1.00 0.00 C ATOM 597 C ASP A 41 18.506 4.147 4.631 1.00 0.00 C ATOM 598 O ASP A 41 19.391 3.950 5.463 1.00 0.00 O ATOM 599 CB ASP A 41 19.451 3.670 2.362 1.00 0.00 C ATOM 600 CG ASP A 41 20.279 2.492 1.888 1.00 0.00 C ATOM 601 OD1 ASP A 41 19.692 1.421 1.628 1.00 0.00 O ATOM 602 OD2 ASP A 41 21.514 2.640 1.778 1.00 0.00 O ATOM 0 H ASP A 41 17.033 3.787 1.882 1.00 0.00 H new ATOM 0 HA ASP A 41 18.563 2.229 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.963 4.135 1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.109 4.420 2.800 1.00 0.00 H new ATOM 607 N LYS A 42 17.603 5.119 4.751 1.00 0.00 N ATOM 608 CA LYS A 42 17.607 6.025 5.894 1.00 0.00 C ATOM 609 C LYS A 42 16.374 6.926 5.883 1.00 0.00 C ATOM 610 O LYS A 42 16.488 8.150 5.960 1.00 0.00 O ATOM 611 CB LYS A 42 18.876 6.879 5.889 1.00 0.00 C ATOM 612 CG LYS A 42 18.980 7.822 7.077 1.00 0.00 C ATOM 613 CD LYS A 42 20.033 7.357 8.068 1.00 0.00 C ATOM 614 CE LYS A 42 20.366 8.442 9.079 1.00 0.00 C ATOM 615 NZ LYS A 42 20.095 8.002 10.475 1.00 0.00 N ATOM 0 H LYS A 42 16.863 5.297 4.072 1.00 0.00 H new ATOM 0 HA LYS A 42 17.585 5.422 6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.746 6.222 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.908 7.462 4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 42 19.227 8.824 6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.013 7.888 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.676 6.469 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 42 20.937 7.069 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 42 21.416 8.718 8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.780 9.335 8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 20.335 8.770 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.088 7.763 10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 20.673 7.165 10.694 1.00 0.00 H new ATOM 629 N ALA A 43 15.198 6.314 5.789 1.00 0.00 N ATOM 630 CA ALA A 43 13.946 7.063 5.770 1.00 0.00 C ATOM 631 C ALA A 43 12.742 6.128 5.818 1.00 0.00 C ATOM 632 O ALA A 43 12.693 5.127 5.104 1.00 0.00 O ATOM 633 CB ALA A 43 13.879 7.948 4.534 1.00 0.00 C ATOM 0 H ALA A 43 15.085 5.302 5.725 1.00 0.00 H new ATOM 0 HA ALA A 43 13.917 7.694 6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.940 8.501 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.713 8.650 4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.936 7.328 3.639 1.00 0.00 H new ATOM 639 N THR A 44 11.772 6.462 6.666 1.00 0.00 N ATOM 640 CA THR A 44 10.565 5.652 6.810 1.00 0.00 C ATOM 641 C THR A 44 9.359 6.349 6.187 1.00 0.00 C ATOM 642 O THR A 44 9.320 7.576 6.089 1.00 0.00 O ATOM 643 CB THR A 44 10.292 5.369 8.288 1.00 0.00 C ATOM 644 OG1 THR A 44 10.160 6.578 9.014 1.00 0.00 O ATOM 645 CG2 THR A 44 11.376 4.549 8.953 1.00 0.00 C ATOM 0 H THR A 44 11.798 7.288 7.264 1.00 0.00 H new ATOM 0 HA THR A 44 10.728 4.710 6.286 1.00 0.00 H new ATOM 0 HB THR A 44 9.366 4.795 8.305 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.984 6.376 9.957 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.118 4.386 9.999 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.467 3.588 8.447 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.325 5.082 8.892 1.00 0.00 H new ATOM 653 N MET A 45 8.374 5.558 5.769 1.00 0.00 N ATOM 654 CA MET A 45 7.164 6.102 5.158 1.00 0.00 C ATOM 655 C MET A 45 5.969 5.180 5.391 1.00 0.00 C ATOM 656 O MET A 45 6.058 4.210 6.143 1.00 0.00 O ATOM 657 CB MET A 45 7.376 6.313 3.658 1.00 0.00 C ATOM 658 CG MET A 45 7.005 7.710 3.186 1.00 0.00 C ATOM 659 SD MET A 45 5.583 7.713 2.080 1.00 0.00 S ATOM 660 CE MET A 45 5.253 9.468 1.956 1.00 0.00 C ATOM 0 H MET A 45 8.390 4.541 5.842 1.00 0.00 H new ATOM 0 HA MET A 45 6.952 7.063 5.628 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.421 6.121 3.416 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.783 5.582 3.108 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.789 8.336 4.051 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.859 8.156 2.675 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.545 9.649 1.147 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.831 9.826 2.895 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.182 9.999 1.750 1.00 0.00 H new ATOM 670 N ASP A 46 4.851 5.493 4.741 1.00 0.00 N ATOM 671 CA ASP A 46 3.634 4.696 4.876 1.00 0.00 C ATOM 672 C ASP A 46 2.541 5.223 3.953 1.00 0.00 C ATOM 673 O ASP A 46 2.708 6.257 3.308 1.00 0.00 O ATOM 674 CB ASP A 46 3.144 4.713 6.324 1.00 0.00 C ATOM 675 CG ASP A 46 3.206 6.098 6.939 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.491 6.996 6.448 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.969 6.283 7.910 1.00 0.00 O ATOM 0 H ASP A 46 4.762 6.293 4.115 1.00 0.00 H new ATOM 0 HA ASP A 46 3.867 3.670 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.118 4.347 6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.749 4.027 6.918 1.00 0.00 H new ATOM 682 N VAL A 47 1.420 4.509 3.892 1.00 0.00 N ATOM 683 CA VAL A 47 0.307 4.921 3.042 1.00 0.00 C ATOM 684 C VAL A 47 -0.993 5.014 3.838 1.00 0.00 C ATOM 685 O VAL A 47 -1.418 4.036 4.453 1.00 0.00 O ATOM 686 CB VAL A 47 0.102 3.947 1.863 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.121 4.339 1.042 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.346 3.900 0.990 1.00 0.00 C ATOM 0 H VAL A 47 1.259 3.649 4.416 1.00 0.00 H new ATOM 0 HA VAL A 47 0.563 5.905 2.650 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.071 2.950 2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.245 3.638 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.008 4.314 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.986 5.345 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.184 3.208 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.552 4.895 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.195 3.563 1.584 1.00 0.00 H new ATOM 698 N PRO A 48 -1.649 6.191 3.825 1.00 0.00 N ATOM 699 CA PRO A 48 -2.904 6.410 4.530 1.00 0.00 C ATOM 700 C PRO A 48 -4.118 6.103 3.657 1.00 0.00 C ATOM 701 O PRO A 48 -5.179 6.705 3.820 1.00 0.00 O ATOM 702 CB PRO A 48 -2.836 7.898 4.846 1.00 0.00 C ATOM 703 CG PRO A 48 -2.106 8.496 3.687 1.00 0.00 C ATOM 704 CD PRO A 48 -1.222 7.409 3.113 1.00 0.00 C ATOM 0 HA PRO A 48 -3.018 5.767 5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.833 8.327 4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.310 8.081 5.783 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.807 8.860 2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.509 9.350 4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.358 7.311 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.166 7.621 3.283 1.00 0.00 H new ATOM 712 N ALA A 49 -3.953 5.167 2.726 1.00 0.00 N ATOM 713 CA ALA A 49 -5.031 4.781 1.822 1.00 0.00 C ATOM 714 C ALA A 49 -5.727 6.001 1.231 1.00 0.00 C ATOM 715 O ALA A 49 -6.661 6.542 1.822 1.00 0.00 O ATOM 716 CB ALA A 49 -6.042 3.901 2.539 1.00 0.00 C ATOM 0 H ALA A 49 -3.080 4.661 2.578 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.586 4.215 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.838 3.624 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.547 3.000 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.467 4.447 3.381 1.00 0.00 H new ATOM 722 N GLU A 50 -5.272 6.421 0.057 1.00 0.00 N ATOM 723 CA GLU A 50 -5.858 7.573 -0.618 1.00 0.00 C ATOM 724 C GLU A 50 -6.954 7.122 -1.570 1.00 0.00 C ATOM 725 O GLU A 50 -6.860 7.313 -2.783 1.00 0.00 O ATOM 726 CB GLU A 50 -4.785 8.355 -1.379 1.00 0.00 C ATOM 727 CG GLU A 50 -3.967 9.281 -0.495 1.00 0.00 C ATOM 728 CD GLU A 50 -2.475 9.140 -0.725 1.00 0.00 C ATOM 729 OE1 GLU A 50 -1.945 9.833 -1.620 1.00 0.00 O ATOM 730 OE2 GLU A 50 -1.837 8.338 -0.012 1.00 0.00 O ATOM 0 H GLU A 50 -4.501 5.983 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.294 8.229 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.115 7.651 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.263 8.943 -2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.264 10.313 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.191 9.071 0.551 1.00 0.00 H new ATOM 737 N VAL A 51 -7.986 6.505 -1.008 1.00 0.00 N ATOM 738 CA VAL A 51 -9.100 6.002 -1.801 1.00 0.00 C ATOM 739 C VAL A 51 -10.336 5.783 -0.936 1.00 0.00 C ATOM 740 O VAL A 51 -10.228 5.490 0.253 1.00 0.00 O ATOM 741 CB VAL A 51 -8.736 4.678 -2.515 1.00 0.00 C ATOM 742 CG1 VAL A 51 -8.442 4.938 -3.983 1.00 0.00 C ATOM 743 CG2 VAL A 51 -7.547 3.994 -1.843 1.00 0.00 C ATOM 0 H VAL A 51 -8.074 6.341 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.319 6.759 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.591 4.006 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.187 3.999 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.322 5.370 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.606 5.632 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.316 3.067 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.681 4.655 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.794 3.771 -0.805 1.00 0.00 H new ATOM 753 N ALA A 52 -11.510 5.940 -1.538 1.00 0.00 N ATOM 754 CA ALA A 52 -12.770 5.774 -0.820 1.00 0.00 C ATOM 755 C ALA A 52 -13.587 4.616 -1.369 1.00 0.00 C ATOM 756 O ALA A 52 -14.578 4.826 -2.057 1.00 0.00 O ATOM 757 CB ALA A 52 -13.587 7.045 -0.908 1.00 0.00 C ATOM 0 H ALA A 52 -11.616 6.182 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.526 5.555 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.525 6.912 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.028 7.869 -0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.797 7.271 -1.953 1.00 0.00 H new ATOM 763 N GLY A 53 -13.186 3.399 -1.063 1.00 0.00 N ATOM 764 CA GLY A 53 -13.929 2.258 -1.559 1.00 0.00 C ATOM 765 C GLY A 53 -13.613 0.964 -0.838 1.00 0.00 C ATOM 766 O GLY A 53 -13.606 0.909 0.392 1.00 0.00 O ATOM 0 H GLY A 53 -12.373 3.177 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.996 2.463 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.718 2.132 -2.621 1.00 0.00 H new ATOM 770 N VAL A 54 -13.371 -0.085 -1.615 1.00 0.00 N ATOM 771 CA VAL A 54 -13.069 -1.401 -1.070 1.00 0.00 C ATOM 772 C VAL A 54 -11.925 -2.059 -1.835 1.00 0.00 C ATOM 773 O VAL A 54 -11.864 -1.976 -3.061 1.00 0.00 O ATOM 774 CB VAL A 54 -14.307 -2.316 -1.140 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.984 -3.710 -0.625 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.463 -1.708 -0.361 1.00 0.00 C ATOM 0 H VAL A 54 -13.379 -0.047 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.774 -1.264 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.605 -2.406 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.875 -4.336 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.191 -4.148 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.654 -3.647 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.329 -2.367 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.173 -1.584 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.717 -0.736 -0.785 1.00 0.00 H new ATOM 786 N VAL A 55 -11.021 -2.715 -1.111 1.00 0.00 N ATOM 787 CA VAL A 55 -9.888 -3.381 -1.744 1.00 0.00 C ATOM 788 C VAL A 55 -10.318 -4.661 -2.444 1.00 0.00 C ATOM 789 O VAL A 55 -11.219 -5.365 -1.986 1.00 0.00 O ATOM 790 CB VAL A 55 -8.771 -3.725 -0.736 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.600 -4.402 -1.445 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.306 -2.475 -0.005 1.00 0.00 C ATOM 0 H VAL A 55 -11.051 -2.799 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.497 -2.673 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.174 -4.420 0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.822 -4.637 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.944 -5.321 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.197 -3.731 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.518 -2.738 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.921 -1.754 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.145 -2.036 0.535 1.00 0.00 H new ATOM 802 N LYS A 56 -9.648 -4.961 -3.545 1.00 0.00 N ATOM 803 CA LYS A 56 -9.928 -6.165 -4.314 1.00 0.00 C ATOM 804 C LYS A 56 -8.724 -7.080 -4.279 1.00 0.00 C ATOM 805 O LYS A 56 -8.845 -8.287 -4.074 1.00 0.00 O ATOM 806 CB LYS A 56 -10.256 -5.845 -5.779 1.00 0.00 C ATOM 807 CG LYS A 56 -10.325 -4.360 -6.106 1.00 0.00 C ATOM 808 CD LYS A 56 -11.646 -3.752 -5.662 1.00 0.00 C ATOM 809 CE LYS A 56 -12.785 -4.164 -6.580 1.00 0.00 C ATOM 810 NZ LYS A 56 -14.079 -3.553 -6.169 1.00 0.00 N ATOM 0 H LYS A 56 -8.901 -4.383 -3.929 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.795 -6.647 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.502 -6.309 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.212 -6.303 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.501 -3.840 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.200 -4.217 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.868 -4.066 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.562 -2.665 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.552 -3.867 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.879 -5.250 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.607 -3.257 -7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.639 -4.250 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.896 -2.725 -5.567 1.00 0.00 H new ATOM 824 N GLU A 57 -7.558 -6.491 -4.503 1.00 0.00 N ATOM 825 CA GLU A 57 -6.330 -7.250 -4.518 1.00 0.00 C ATOM 826 C GLU A 57 -5.414 -6.863 -3.362 1.00 0.00 C ATOM 827 O GLU A 57 -5.693 -5.925 -2.616 1.00 0.00 O ATOM 828 CB GLU A 57 -5.605 -7.060 -5.851 1.00 0.00 C ATOM 829 CG GLU A 57 -5.977 -8.095 -6.899 1.00 0.00 C ATOM 830 CD GLU A 57 -5.589 -7.670 -8.302 1.00 0.00 C ATOM 831 OE1 GLU A 57 -5.676 -6.461 -8.601 1.00 0.00 O ATOM 832 OE2 GLU A 57 -5.197 -8.546 -9.101 1.00 0.00 O ATOM 0 H GLU A 57 -7.443 -5.492 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.591 -8.301 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.829 -6.066 -6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.529 -7.100 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.488 -9.040 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.051 -8.274 -6.862 1.00 0.00 H new ATOM 839 N VAL A 58 -4.317 -7.600 -3.227 1.00 0.00 N ATOM 840 CA VAL A 58 -3.343 -7.355 -2.171 1.00 0.00 C ATOM 841 C VAL A 58 -2.007 -7.998 -2.522 1.00 0.00 C ATOM 842 O VAL A 58 -1.908 -9.219 -2.651 1.00 0.00 O ATOM 843 CB VAL A 58 -3.834 -7.903 -0.820 1.00 0.00 C ATOM 844 CG1 VAL A 58 -4.149 -9.386 -0.930 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.804 -7.645 0.268 1.00 0.00 C ATOM 0 H VAL A 58 -4.079 -8.378 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.217 -6.276 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.751 -7.381 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.495 -9.757 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.928 -9.538 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.251 -9.928 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.169 -8.040 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.867 -8.138 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.636 -6.572 0.363 1.00 0.00 H new ATOM 855 N LYS A 59 -0.986 -7.169 -2.692 1.00 0.00 N ATOM 856 CA LYS A 59 0.341 -7.654 -3.048 1.00 0.00 C ATOM 857 C LYS A 59 1.408 -6.989 -2.190 1.00 0.00 C ATOM 858 O LYS A 59 2.068 -6.046 -2.626 1.00 0.00 O ATOM 859 CB LYS A 59 0.616 -7.374 -4.523 1.00 0.00 C ATOM 860 CG LYS A 59 -0.618 -7.500 -5.402 1.00 0.00 C ATOM 861 CD LYS A 59 -0.297 -8.170 -6.726 1.00 0.00 C ATOM 862 CE LYS A 59 -1.110 -7.572 -7.863 1.00 0.00 C ATOM 863 NZ LYS A 59 -1.533 -8.605 -8.848 1.00 0.00 N ATOM 0 H LYS A 59 -1.051 -6.156 -2.589 1.00 0.00 H new ATOM 0 HA LYS A 59 0.374 -8.729 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.024 -6.368 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.379 -8.065 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.381 -8.076 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.036 -6.510 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.766 -8.062 -6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.501 -9.238 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.991 -7.076 -7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.519 -6.809 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.085 -8.156 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.692 -9.062 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.118 -9.320 -8.371 1.00 0.00 H new ATOM 877 N VAL A 60 1.565 -7.474 -0.965 1.00 0.00 N ATOM 878 CA VAL A 60 2.548 -6.910 -0.051 1.00 0.00 C ATOM 879 C VAL A 60 2.626 -7.723 1.240 1.00 0.00 C ATOM 880 O VAL A 60 1.657 -8.365 1.650 1.00 0.00 O ATOM 881 CB VAL A 60 2.224 -5.419 0.256 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.720 -5.182 0.265 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.849 -4.948 1.570 1.00 0.00 C ATOM 0 H VAL A 60 1.027 -8.252 -0.584 1.00 0.00 H new ATOM 0 HA VAL A 60 3.523 -6.955 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 60 2.668 -4.827 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.518 -4.133 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.306 -5.437 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.258 -5.806 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.594 -3.902 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.466 -5.553 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.933 -5.053 1.516 1.00 0.00 H new ATOM 893 N LYS A 61 3.792 -7.681 1.873 1.00 0.00 N ATOM 894 CA LYS A 61 4.021 -8.401 3.118 1.00 0.00 C ATOM 895 C LYS A 61 4.821 -7.542 4.092 1.00 0.00 C ATOM 896 O LYS A 61 5.283 -6.456 3.742 1.00 0.00 O ATOM 897 CB LYS A 61 4.762 -9.711 2.848 1.00 0.00 C ATOM 898 CG LYS A 61 4.007 -10.945 3.312 1.00 0.00 C ATOM 899 CD LYS A 61 3.262 -11.606 2.165 1.00 0.00 C ATOM 900 CE LYS A 61 3.216 -13.117 2.328 1.00 0.00 C ATOM 901 NZ LYS A 61 2.946 -13.807 1.038 1.00 0.00 N ATOM 0 H LYS A 61 4.598 -7.152 1.541 1.00 0.00 H new ATOM 0 HA LYS A 61 3.053 -8.629 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.956 -9.795 1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.731 -9.680 3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.706 -11.657 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.300 -10.668 4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.246 -11.213 2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.748 -11.355 1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.165 -13.467 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.443 -13.381 3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.923 -14.835 1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.029 -13.493 0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.697 -13.576 0.357 1.00 0.00 H new ATOM 915 N VAL A 62 4.979 -8.032 5.316 1.00 0.00 N ATOM 916 CA VAL A 62 5.721 -7.302 6.336 1.00 0.00 C ATOM 917 C VAL A 62 7.189 -7.714 6.346 1.00 0.00 C ATOM 918 O VAL A 62 7.736 -8.085 7.385 1.00 0.00 O ATOM 919 CB VAL A 62 5.119 -7.527 7.737 1.00 0.00 C ATOM 920 CG1 VAL A 62 5.289 -8.975 8.170 1.00 0.00 C ATOM 921 CG2 VAL A 62 5.748 -6.580 8.747 1.00 0.00 C ATOM 0 H VAL A 62 4.604 -8.929 5.625 1.00 0.00 H new ATOM 0 HA VAL A 62 5.648 -6.243 6.087 1.00 0.00 H new ATOM 0 HB VAL A 62 4.051 -7.313 7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.857 -9.111 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.782 -9.629 7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.350 -9.224 8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.310 -6.754 9.730 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.823 -6.757 8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.562 -5.549 8.444 1.00 0.00 H new ATOM 931 N GLY A 63 7.821 -7.647 5.177 1.00 0.00 N ATOM 932 CA GLY A 63 9.221 -8.015 5.066 1.00 0.00 C ATOM 933 C GLY A 63 9.596 -8.448 3.662 1.00 0.00 C ATOM 934 O GLY A 63 10.167 -9.521 3.468 1.00 0.00 O ATOM 0 H GLY A 63 7.388 -7.344 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.841 -7.168 5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.437 -8.825 5.763 1.00 0.00 H new ATOM 938 N ASP A 64 9.273 -7.611 2.681 1.00 0.00 N ATOM 939 CA ASP A 64 9.579 -7.913 1.286 1.00 0.00 C ATOM 940 C ASP A 64 10.281 -6.737 0.614 1.00 0.00 C ATOM 941 O ASP A 64 10.591 -5.736 1.260 1.00 0.00 O ATOM 942 CB ASP A 64 8.296 -8.259 0.525 1.00 0.00 C ATOM 943 CG ASP A 64 7.161 -7.306 0.842 1.00 0.00 C ATOM 944 OD1 ASP A 64 6.883 -7.089 2.039 1.00 0.00 O ATOM 945 OD2 ASP A 64 6.548 -6.777 -0.109 1.00 0.00 O ATOM 0 H ASP A 64 8.800 -6.719 2.826 1.00 0.00 H new ATOM 0 HA ASP A 64 10.250 -8.772 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.496 -8.238 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.993 -9.276 0.773 1.00 0.00 H new ATOM 950 N LYS A 65 10.529 -6.864 -0.685 1.00 0.00 N ATOM 951 CA LYS A 65 11.193 -5.812 -1.445 1.00 0.00 C ATOM 952 C LYS A 65 10.201 -5.078 -2.339 1.00 0.00 C ATOM 953 O LYS A 65 9.215 -5.659 -2.795 1.00 0.00 O ATOM 954 CB LYS A 65 12.323 -6.401 -2.292 1.00 0.00 C ATOM 955 CG LYS A 65 13.640 -6.530 -1.543 1.00 0.00 C ATOM 956 CD LYS A 65 14.545 -5.336 -1.796 1.00 0.00 C ATOM 957 CE LYS A 65 15.534 -5.614 -2.916 1.00 0.00 C ATOM 958 NZ LYS A 65 16.787 -4.825 -2.758 1.00 0.00 N ATOM 0 H LYS A 65 10.280 -7.687 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 65 11.614 -5.098 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.021 -7.385 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.474 -5.773 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.445 -6.619 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.147 -7.444 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.939 -4.467 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.087 -5.089 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.774 -6.677 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.073 -5.376 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.314 -4.826 -3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.550 -3.846 -2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.373 -5.250 -2.012 1.00 0.00 H new ATOM 972 N ILE A 66 10.465 -3.799 -2.586 1.00 0.00 N ATOM 973 CA ILE A 66 9.590 -2.985 -3.422 1.00 0.00 C ATOM 974 C ILE A 66 10.413 -2.092 -4.359 1.00 0.00 C ATOM 975 O ILE A 66 11.632 -1.994 -4.227 1.00 0.00 O ATOM 976 CB ILE A 66 8.608 -2.152 -2.535 1.00 0.00 C ATOM 977 CG1 ILE A 66 7.183 -2.672 -2.716 1.00 0.00 C ATOM 978 CG2 ILE A 66 8.661 -0.650 -2.821 1.00 0.00 C ATOM 979 CD1 ILE A 66 7.039 -4.149 -2.421 1.00 0.00 C ATOM 0 H ILE A 66 11.278 -3.304 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 66 8.989 -3.644 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 66 8.928 -2.281 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.514 -2.112 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.862 -2.481 -3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.956 -0.131 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.668 -0.279 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.397 -0.468 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.002 -4.450 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.682 -4.718 -3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.329 -4.344 -1.388 1.00 0.00 H new ATOM 991 N SER A 67 9.733 -1.442 -5.301 1.00 0.00 N ATOM 992 CA SER A 67 10.400 -0.560 -6.254 1.00 0.00 C ATOM 993 C SER A 67 9.437 0.501 -6.781 1.00 0.00 C ATOM 994 O SER A 67 9.331 0.713 -7.989 1.00 0.00 O ATOM 995 CB SER A 67 10.969 -1.372 -7.418 1.00 0.00 C ATOM 996 OG SER A 67 10.146 -2.488 -7.714 1.00 0.00 O ATOM 0 H SER A 67 8.723 -1.510 -5.424 1.00 0.00 H new ATOM 0 HA SER A 67 11.217 -0.057 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.056 -0.737 -8.300 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.974 -1.713 -7.170 1.00 0.00 H new ATOM 0 HG SER A 67 10.531 -2.989 -8.463 1.00 0.00 H new ATOM 1002 N GLU A 68 8.739 1.166 -5.862 1.00 0.00 N ATOM 1003 CA GLU A 68 7.778 2.214 -6.216 1.00 0.00 C ATOM 1004 C GLU A 68 6.971 1.842 -7.458 1.00 0.00 C ATOM 1005 O GLU A 68 7.059 2.509 -8.489 1.00 0.00 O ATOM 1006 CB GLU A 68 8.501 3.542 -6.451 1.00 0.00 C ATOM 1007 CG GLU A 68 9.142 4.117 -5.199 1.00 0.00 C ATOM 1008 CD GLU A 68 9.792 5.465 -5.445 1.00 0.00 C ATOM 1009 OE1 GLU A 68 10.277 5.694 -6.572 1.00 0.00 O ATOM 1010 OE2 GLU A 68 9.816 6.293 -4.508 1.00 0.00 O ATOM 0 H GLU A 68 8.821 0.997 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 68 7.087 2.319 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.271 3.398 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.791 4.266 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.385 4.219 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.891 3.419 -4.825 1.00 0.00 H new ATOM 1017 N GLY A 69 6.187 0.776 -7.352 1.00 0.00 N ATOM 1018 CA GLY A 69 5.380 0.341 -8.475 1.00 0.00 C ATOM 1019 C GLY A 69 5.211 -1.165 -8.523 1.00 0.00 C ATOM 1020 O GLY A 69 5.737 -1.824 -9.420 1.00 0.00 O ATOM 0 H GLY A 69 6.096 0.207 -6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.398 0.811 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.841 0.681 -9.402 1.00 0.00 H new ATOM 1024 N GLY A 70 4.478 -1.713 -7.558 1.00 0.00 N ATOM 1025 CA GLY A 70 4.264 -3.147 -7.523 1.00 0.00 C ATOM 1026 C GLY A 70 2.796 -3.519 -7.433 1.00 0.00 C ATOM 1027 O GLY A 70 2.458 -4.645 -7.069 1.00 0.00 O ATOM 0 H GLY A 70 4.031 -1.192 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.694 -3.596 -8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.794 -3.568 -6.669 1.00 0.00 H new ATOM 1031 N LEU A 71 1.920 -2.570 -7.759 1.00 0.00 N ATOM 1032 CA LEU A 71 0.477 -2.805 -7.707 1.00 0.00 C ATOM 1033 C LEU A 71 0.093 -3.521 -6.417 1.00 0.00 C ATOM 1034 O LEU A 71 -0.602 -4.537 -6.437 1.00 0.00 O ATOM 1035 CB LEU A 71 0.023 -3.624 -8.917 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.485 -3.882 -9.002 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.268 -2.623 -8.659 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.860 -4.382 -10.389 1.00 0.00 C ATOM 0 H LEU A 71 2.183 -1.632 -8.062 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.025 -1.838 -7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.339 -3.108 -9.824 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.539 -4.584 -8.900 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.742 -4.652 -8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.336 -2.829 -8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.022 -2.307 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.007 -1.830 -9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.934 -4.561 -10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.586 -3.633 -11.132 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.329 -5.311 -10.597 1.00 0.00 H new ATOM 1050 N ILE A 72 0.560 -2.983 -5.297 1.00 0.00 N ATOM 1051 CA ILE A 72 0.284 -3.558 -3.988 1.00 0.00 C ATOM 1052 C ILE A 72 -1.192 -3.944 -3.845 1.00 0.00 C ATOM 1053 O ILE A 72 -1.559 -5.103 -4.032 1.00 0.00 O ATOM 1054 CB ILE A 72 0.716 -2.578 -2.864 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.215 -2.719 -2.618 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.052 -2.807 -1.562 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.905 -1.407 -2.346 1.00 0.00 C ATOM 0 H ILE A 72 1.137 -2.142 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 72 0.869 -4.472 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 72 0.482 -1.567 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.375 -3.387 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.675 -3.189 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.288 -2.096 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.118 -2.666 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.126 -3.823 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.968 -1.582 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.776 -0.744 -3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.471 -0.945 -1.459 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.031 -2.974 -3.498 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.453 -3.237 -3.317 1.00 0.00 C ATOM 1071 C VAL A 73 -4.313 -2.391 -4.249 1.00 0.00 C ATOM 1072 O VAL A 73 -3.996 -1.239 -4.537 1.00 0.00 O ATOM 1073 CB VAL A 73 -3.890 -2.977 -1.865 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -3.083 -3.832 -0.899 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -3.756 -1.502 -1.523 1.00 0.00 C ATOM 0 H VAL A 73 -1.753 -2.006 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.601 -4.289 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.939 -3.255 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.408 -3.633 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.238 -4.886 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.025 -3.591 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.070 -1.338 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.717 -1.194 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.385 -0.915 -2.192 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.414 -2.980 -4.699 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.353 -2.307 -5.585 1.00 0.00 C ATOM 1087 C VAL A 74 -7.683 -2.113 -4.868 1.00 0.00 C ATOM 1088 O VAL A 74 -8.134 -3.001 -4.147 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.578 -3.125 -6.873 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.579 -2.440 -7.790 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.257 -3.359 -7.592 1.00 0.00 C ATOM 0 H VAL A 74 -5.680 -3.935 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.934 -1.338 -5.858 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.994 -4.093 -6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.718 -3.039 -8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.533 -2.335 -7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.205 -1.454 -8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.434 -3.938 -8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.811 -2.400 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.579 -3.907 -6.938 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.302 -0.948 -5.043 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.565 -0.666 -4.375 1.00 0.00 C ATOM 1103 C VAL A 75 -10.618 -0.105 -5.325 1.00 0.00 C ATOM 1104 O VAL A 75 -10.343 0.172 -6.492 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.369 0.327 -3.216 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -8.938 -0.400 -1.953 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -8.359 1.401 -3.589 1.00 0.00 C ATOM 0 H VAL A 75 -7.953 -0.194 -5.635 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.920 -1.623 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.325 0.813 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.805 0.320 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.703 -1.124 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.997 -0.919 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.237 2.091 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.400 0.935 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.715 1.947 -4.463 1.00 0.00 H new ATOM 1117 N GLU A 76 -11.830 0.061 -4.795 1.00 0.00 N ATOM 1118 CA GLU A 76 -12.951 0.591 -5.564 1.00 0.00 C ATOM 1119 C GLU A 76 -12.935 2.119 -5.553 1.00 0.00 C ATOM 1120 O GLU A 76 -13.315 2.762 -6.531 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.273 0.076 -4.987 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.216 -0.489 -6.037 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.518 -0.990 -5.442 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -17.374 -0.149 -5.093 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -16.682 -2.223 -5.325 1.00 0.00 O ATOM 0 H GLU A 76 -12.059 -0.167 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.855 0.251 -6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.061 -0.697 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.773 0.890 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.432 0.281 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.722 -1.307 -6.561 1.00 0.00 H new ATOM 1132 N ALA A 77 -12.476 2.686 -4.441 1.00 0.00 N ATOM 1133 CA ALA A 77 -12.385 4.133 -4.286 1.00 0.00 C ATOM 1134 C ALA A 77 -13.713 4.839 -4.560 1.00 0.00 C ATOM 1135 O ALA A 77 -14.623 4.273 -5.167 1.00 0.00 O ATOM 1136 CB ALA A 77 -11.305 4.680 -5.195 1.00 0.00 C ATOM 0 H ALA A 77 -12.159 2.159 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.129 4.332 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.242 5.762 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.347 4.229 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.547 4.444 -6.231 1.00 0.00 H new