USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 MET CE :methyl 150:sc= -1.93 (180deg=-5.31!) USER MOD Set 2.1: A 28 MET CE :methyl 172:sc= -1.13 (180deg=-0.261) USER MOD Set 2.2: A 45 CYS SG : rot 78:sc= -1.62 USER MOD Set 3.1: A 25 ASN : amide:sc=-0.00266 X(o=-0.17,f=-0.17) USER MOD Set 3.2: A 26 ASN : amide:sc= -0.172! K(o=-0.17!,f=-0.74) USER MOD Set 4.1: A 4 THR OG1 : rot 180:sc= -2.14! USER MOD Set 4.2: A 7 MET CE :methyl 174:sc= -0.694 (180deg=-0.791) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.154) USER MOD Single : A 2 LYS NZ :NH3+ 147:sc= -0.51 (180deg=-0.747) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 1.02 (180deg=1.02) USER MOD Single : A 14 GLN : amide:sc= -0.0804 K(o=-0.08,f=-0.69) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -82:sc= -1.27! USER MOD Single : A 29 HIS : no HD1:sc=-0.00686 X(o=-0.0069,f=-0.0069) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0392 USER MOD Single : A 33 CYS SG : rot 1:sc= 0.281 USER MOD Single : A 35 SER OG : rot 32:sc= 0.25 USER MOD Single : A 40 SER OG : rot 180:sc= -0.188 USER MOD Single : A 48 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.02) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= 1.05 (180deg=0.474) USER MOD Single : A 60 ASN : amide:sc= 0.485! C(o=0.48!,f=-6.9!) USER MOD Single : A 62 TYR OH : rot 176:sc= 0.426 USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= -0.0217 (180deg=-0.18) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.339 0.269 6.455 1.00 65.10 N ATOM 2 CA MET A 1 13.906 -0.136 6.414 1.00 21.42 C ATOM 3 C MET A 1 13.328 -0.027 4.994 1.00 73.34 C ATOM 4 O MET A 1 13.398 1.026 4.361 1.00 24.11 O ATOM 5 CB MET A 1 13.076 0.729 7.380 1.00 64.43 C ATOM 6 CG MET A 1 13.476 0.579 8.844 1.00 63.22 C ATOM 7 SD MET A 1 12.484 1.604 9.953 1.00 23.30 S ATOM 8 CE MET A 1 13.239 1.214 11.536 1.00 23.11 C ATOM 0 H1 MET A 1 15.751 -0.006 7.369 1.00 65.10 H new ATOM 0 H2 MET A 1 15.856 -0.204 5.686 1.00 65.10 H new ATOM 0 H3 MET A 1 15.412 1.300 6.338 1.00 65.10 H new ATOM 0 HA MET A 1 13.852 -1.180 6.724 1.00 21.42 H new ATOM 0 HB2 MET A 1 13.176 1.775 7.092 1.00 64.43 H new ATOM 0 HB3 MET A 1 12.023 0.468 7.273 1.00 64.43 H new ATOM 0 HG2 MET A 1 13.376 -0.466 9.137 1.00 63.22 H new ATOM 0 HG3 MET A 1 14.528 0.843 8.957 1.00 63.22 H new ATOM 0 HE1 MET A 1 12.735 1.771 12.326 1.00 23.11 H new ATOM 0 HE2 MET A 1 13.147 0.145 11.730 1.00 23.11 H new ATOM 0 HE3 MET A 1 14.294 1.489 11.514 1.00 23.11 H new ATOM 20 N LYS A 2 12.773 -1.132 4.499 1.00 71.42 N ATOM 21 CA LYS A 2 12.094 -1.167 3.194 1.00 60.14 C ATOM 22 C LYS A 2 10.722 -1.848 3.319 1.00 32.15 C ATOM 23 O LYS A 2 10.573 -2.833 4.046 1.00 22.35 O ATOM 24 CB LYS A 2 12.944 -1.921 2.152 1.00 64.51 C ATOM 25 CG LYS A 2 14.162 -1.153 1.640 1.00 43.13 C ATOM 26 CD LYS A 2 13.760 0.076 0.824 1.00 53.14 C ATOM 27 CE LYS A 2 14.965 0.760 0.184 1.00 51.12 C ATOM 28 NZ LYS A 2 14.571 1.964 -0.595 1.00 13.23 N ATOM 0 H LYS A 2 12.778 -2.029 4.985 1.00 71.42 H new ATOM 0 HA LYS A 2 11.958 -0.138 2.863 1.00 60.14 H new ATOM 0 HB2 LYS A 2 13.282 -2.860 2.591 1.00 64.51 H new ATOM 0 HB3 LYS A 2 12.310 -2.176 1.303 1.00 64.51 H new ATOM 0 HG2 LYS A 2 14.777 -0.843 2.485 1.00 43.13 H new ATOM 0 HG3 LYS A 2 14.775 -1.812 1.025 1.00 43.13 H new ATOM 0 HD2 LYS A 2 13.056 -0.220 0.046 1.00 53.14 H new ATOM 0 HD3 LYS A 2 13.242 0.785 1.469 1.00 53.14 H new ATOM 0 HE2 LYS A 2 15.675 1.046 0.960 1.00 51.12 H new ATOM 0 HE3 LYS A 2 15.477 0.055 -0.471 1.00 51.12 H new ATOM 0 HZ1 LYS A 2 15.327 2.676 -0.539 1.00 13.23 H new ATOM 0 HZ2 LYS A 2 14.418 1.699 -1.589 1.00 13.23 H new ATOM 0 HZ3 LYS A 2 13.693 2.359 -0.203 1.00 13.23 H new ATOM 42 N ILE A 3 9.725 -1.320 2.616 1.00 70.03 N ATOM 43 CA ILE A 3 8.387 -1.920 2.603 1.00 5.03 C ATOM 44 C ILE A 3 8.417 -3.293 1.915 1.00 55.12 C ATOM 45 O ILE A 3 9.005 -3.443 0.841 1.00 73.41 O ATOM 46 CB ILE A 3 7.364 -1.008 1.873 1.00 63.15 C ATOM 47 CG1 ILE A 3 7.347 0.399 2.498 1.00 34.25 C ATOM 48 CG2 ILE A 3 5.964 -1.629 1.898 1.00 71.24 C ATOM 49 CD1 ILE A 3 6.940 0.425 3.960 1.00 31.14 C ATOM 0 H ILE A 3 9.814 -0.478 2.047 1.00 70.03 H new ATOM 0 HA ILE A 3 8.075 -2.037 3.641 1.00 5.03 H new ATOM 0 HB ILE A 3 7.674 -0.916 0.832 1.00 63.15 H new ATOM 0 HG12 ILE A 3 8.339 0.840 2.401 1.00 34.25 H new ATOM 0 HG13 ILE A 3 6.662 1.028 1.930 1.00 34.25 H new ATOM 0 HG21 ILE A 3 5.265 -0.972 1.381 1.00 71.24 H new ATOM 0 HG22 ILE A 3 5.987 -2.598 1.400 1.00 71.24 H new ATOM 0 HG23 ILE A 3 5.642 -1.759 2.931 1.00 71.24 H new ATOM 0 HD11 ILE A 3 6.954 1.453 4.323 1.00 31.14 H new ATOM 0 HD12 ILE A 3 5.935 0.016 4.065 1.00 31.14 H new ATOM 0 HD13 ILE A 3 7.639 -0.175 4.543 1.00 31.14 H new ATOM 61 N THR A 4 7.793 -4.292 2.533 1.00 45.32 N ATOM 62 CA THR A 4 7.762 -5.651 1.971 1.00 2.21 C ATOM 63 C THR A 4 6.330 -6.077 1.635 1.00 70.31 C ATOM 64 O THR A 4 5.368 -5.577 2.214 1.00 62.22 O ATOM 65 CB THR A 4 8.369 -6.698 2.938 1.00 65.53 C ATOM 66 OG1 THR A 4 7.497 -6.902 4.058 1.00 22.14 O ATOM 67 CG2 THR A 4 9.745 -6.261 3.434 1.00 21.44 C ATOM 0 H THR A 4 7.301 -4.193 3.421 1.00 45.32 H new ATOM 0 HA THR A 4 8.364 -5.616 1.063 1.00 2.21 H new ATOM 0 HB THR A 4 8.481 -7.633 2.389 1.00 65.53 H new ATOM 0 HG1 THR A 4 7.890 -7.567 4.662 1.00 22.14 H new ATOM 0 HG21 THR A 4 10.145 -7.016 4.111 1.00 21.44 H new ATOM 0 HG22 THR A 4 10.417 -6.143 2.584 1.00 21.44 H new ATOM 0 HG23 THR A 4 9.657 -5.311 3.962 1.00 21.44 H new ATOM 75 N LYS A 5 6.191 -7.018 0.704 1.00 11.22 N ATOM 76 CA LYS A 5 4.870 -7.519 0.298 1.00 43.01 C ATOM 77 C LYS A 5 4.199 -8.345 1.411 1.00 72.43 C ATOM 78 O LYS A 5 3.011 -8.665 1.332 1.00 25.11 O ATOM 79 CB LYS A 5 4.995 -8.328 -1.006 1.00 42.03 C ATOM 80 CG LYS A 5 6.067 -9.419 -0.977 1.00 24.03 C ATOM 81 CD LYS A 5 6.385 -9.946 -2.380 1.00 74.01 C ATOM 82 CE LYS A 5 7.029 -8.875 -3.264 1.00 30.11 C ATOM 83 NZ LYS A 5 7.344 -9.383 -4.631 1.00 12.24 N ATOM 0 H LYS A 5 6.973 -7.452 0.214 1.00 11.22 H new ATOM 0 HA LYS A 5 4.223 -6.661 0.117 1.00 43.01 H new ATOM 0 HB2 LYS A 5 4.032 -8.789 -1.226 1.00 42.03 H new ATOM 0 HB3 LYS A 5 5.215 -7.642 -1.824 1.00 42.03 H new ATOM 0 HG2 LYS A 5 6.976 -9.023 -0.524 1.00 24.03 H new ATOM 0 HG3 LYS A 5 5.730 -10.243 -0.348 1.00 24.03 H new ATOM 0 HD2 LYS A 5 7.055 -10.802 -2.302 1.00 74.01 H new ATOM 0 HD3 LYS A 5 5.468 -10.301 -2.850 1.00 74.01 H new ATOM 0 HE2 LYS A 5 6.358 -8.020 -3.342 1.00 30.11 H new ATOM 0 HE3 LYS A 5 7.944 -8.519 -2.791 1.00 30.11 H new ATOM 0 HZ1 LYS A 5 7.778 -8.623 -5.192 1.00 12.24 H new ATOM 0 HZ2 LYS A 5 8.006 -10.182 -4.560 1.00 12.24 H new ATOM 0 HZ3 LYS A 5 6.468 -9.699 -5.094 1.00 12.24 H new ATOM 97 N ASP A 6 4.968 -8.665 2.453 1.00 11.33 N ATOM 98 CA ASP A 6 4.457 -9.392 3.622 1.00 50.54 C ATOM 99 C ASP A 6 3.820 -8.429 4.649 1.00 4.32 C ATOM 100 O ASP A 6 3.094 -8.851 5.553 1.00 22.32 O ATOM 101 CB ASP A 6 5.608 -10.184 4.259 1.00 63.04 C ATOM 102 CG ASP A 6 5.182 -10.992 5.473 1.00 71.30 C ATOM 103 OD1 ASP A 6 4.539 -12.048 5.296 1.00 32.24 O ATOM 104 OD2 ASP A 6 5.502 -10.582 6.611 1.00 64.40 O ATOM 0 H ASP A 6 5.959 -8.430 2.513 1.00 11.33 H new ATOM 0 HA ASP A 6 3.675 -10.079 3.299 1.00 50.54 H new ATOM 0 HB2 ASP A 6 6.033 -10.857 3.514 1.00 63.04 H new ATOM 0 HB3 ASP A 6 6.398 -9.492 4.551 1.00 63.04 H new ATOM 109 N MET A 7 4.093 -7.132 4.497 1.00 34.22 N ATOM 110 CA MET A 7 3.565 -6.110 5.410 1.00 11.30 C ATOM 111 C MET A 7 2.043 -5.921 5.264 1.00 42.35 C ATOM 112 O MET A 7 1.458 -6.240 4.228 1.00 34.01 O ATOM 113 CB MET A 7 4.285 -4.772 5.179 1.00 41.12 C ATOM 114 CG MET A 7 5.748 -4.787 5.591 1.00 73.53 C ATOM 115 SD MET A 7 6.571 -3.212 5.284 1.00 44.33 S ATOM 116 CE MET A 7 8.189 -3.526 5.981 1.00 12.11 C ATOM 0 H MET A 7 4.678 -6.761 3.749 1.00 34.22 H new ATOM 0 HA MET A 7 3.752 -6.458 6.426 1.00 11.30 H new ATOM 0 HB2 MET A 7 4.217 -4.510 4.123 1.00 41.12 H new ATOM 0 HB3 MET A 7 3.768 -3.990 5.735 1.00 41.12 H new ATOM 0 HG2 MET A 7 5.821 -5.030 6.651 1.00 73.53 H new ATOM 0 HG3 MET A 7 6.267 -5.576 5.047 1.00 73.53 H new ATOM 0 HE1 MET A 7 8.845 -2.681 5.772 1.00 12.11 H new ATOM 0 HE2 MET A 7 8.101 -3.659 7.059 1.00 12.11 H new ATOM 0 HE3 MET A 7 8.607 -4.429 5.537 1.00 12.11 H new ATOM 126 N ILE A 8 1.415 -5.398 6.316 1.00 62.13 N ATOM 127 CA ILE A 8 -0.036 -5.158 6.330 1.00 54.04 C ATOM 128 C ILE A 8 -0.391 -3.794 5.702 1.00 32.13 C ATOM 129 O ILE A 8 0.317 -2.805 5.907 1.00 22.24 O ATOM 130 CB ILE A 8 -0.592 -5.210 7.782 1.00 11.35 C ATOM 131 CG1 ILE A 8 -0.260 -6.561 8.444 1.00 61.02 C ATOM 132 CG2 ILE A 8 -2.101 -4.958 7.809 1.00 43.04 C ATOM 133 CD1 ILE A 8 -0.885 -7.759 7.757 1.00 34.51 C ATOM 0 H ILE A 8 1.889 -5.129 7.178 1.00 62.13 H new ATOM 0 HA ILE A 8 -0.495 -5.948 5.736 1.00 54.04 H new ATOM 0 HB ILE A 8 -0.108 -4.416 8.351 1.00 11.35 H new ATOM 0 HG12 ILE A 8 0.822 -6.689 8.460 1.00 61.02 H new ATOM 0 HG13 ILE A 8 -0.593 -6.536 9.482 1.00 61.02 H new ATOM 0 HG21 ILE A 8 -2.459 -5.001 8.838 1.00 43.04 H new ATOM 0 HG22 ILE A 8 -2.313 -3.974 7.392 1.00 43.04 H new ATOM 0 HG23 ILE A 8 -2.608 -5.720 7.217 1.00 43.04 H new ATOM 0 HD11 ILE A 8 -0.602 -8.670 8.285 1.00 34.51 H new ATOM 0 HD12 ILE A 8 -1.970 -7.657 7.764 1.00 34.51 H new ATOM 0 HD13 ILE A 8 -0.533 -7.813 6.727 1.00 34.51 H new ATOM 145 N ILE A 9 -1.495 -3.742 4.950 1.00 65.42 N ATOM 146 CA ILE A 9 -1.935 -2.496 4.297 1.00 42.13 C ATOM 147 C ILE A 9 -2.103 -1.349 5.309 1.00 20.02 C ATOM 148 O ILE A 9 -1.545 -0.262 5.130 1.00 31.53 O ATOM 149 CB ILE A 9 -3.268 -2.700 3.530 1.00 31.05 C ATOM 150 CG1 ILE A 9 -3.095 -3.771 2.438 1.00 21.11 C ATOM 151 CG2 ILE A 9 -3.754 -1.382 2.923 1.00 23.11 C ATOM 152 CD1 ILE A 9 -4.343 -4.019 1.618 1.00 71.34 C ATOM 0 H ILE A 9 -2.102 -4.543 4.776 1.00 65.42 H new ATOM 0 HA ILE A 9 -1.152 -2.225 3.588 1.00 42.13 H new ATOM 0 HB ILE A 9 -4.024 -3.043 4.237 1.00 31.05 H new ATOM 0 HG12 ILE A 9 -2.288 -3.468 1.771 1.00 21.11 H new ATOM 0 HG13 ILE A 9 -2.788 -4.706 2.906 1.00 21.11 H new ATOM 0 HG21 ILE A 9 -4.690 -1.550 2.390 1.00 23.11 H new ATOM 0 HG22 ILE A 9 -3.914 -0.653 3.717 1.00 23.11 H new ATOM 0 HG23 ILE A 9 -3.004 -1.003 2.229 1.00 23.11 H new ATOM 0 HD11 ILE A 9 -4.141 -4.786 0.870 1.00 71.34 H new ATOM 0 HD12 ILE A 9 -5.148 -4.354 2.272 1.00 71.34 H new ATOM 0 HD13 ILE A 9 -4.640 -3.096 1.120 1.00 71.34 H new ATOM 164 N ALA A 10 -2.868 -1.594 6.375 1.00 40.02 N ATOM 165 CA ALA A 10 -3.074 -0.587 7.425 1.00 15.42 C ATOM 166 C ALA A 10 -1.741 -0.125 8.036 1.00 62.44 C ATOM 167 O ALA A 10 -1.563 1.052 8.352 1.00 12.22 O ATOM 168 CB ALA A 10 -3.985 -1.132 8.517 1.00 43.02 C ATOM 0 H ALA A 10 -3.354 -2.476 6.536 1.00 40.02 H new ATOM 0 HA ALA A 10 -3.550 0.277 6.960 1.00 15.42 H new ATOM 0 HB1 ALA A 10 -4.126 -0.372 9.286 1.00 43.02 H new ATOM 0 HB2 ALA A 10 -4.951 -1.396 8.087 1.00 43.02 H new ATOM 0 HB3 ALA A 10 -3.531 -2.018 8.961 1.00 43.02 H new ATOM 174 N ASP A 11 -0.803 -1.061 8.184 1.00 41.30 N ATOM 175 CA ASP A 11 0.514 -0.760 8.752 1.00 23.22 C ATOM 176 C ASP A 11 1.269 0.262 7.885 1.00 64.15 C ATOM 177 O ASP A 11 1.899 1.188 8.404 1.00 61.01 O ATOM 178 CB ASP A 11 1.332 -2.049 8.893 1.00 61.43 C ATOM 179 CG ASP A 11 2.617 -1.842 9.677 1.00 32.01 C ATOM 180 OD1 ASP A 11 2.551 -1.758 10.921 1.00 55.24 O ATOM 181 OD2 ASP A 11 3.700 -1.792 9.063 1.00 44.44 O ATOM 0 H ASP A 11 -0.930 -2.037 7.918 1.00 41.30 H new ATOM 0 HA ASP A 11 0.370 -0.321 9.739 1.00 23.22 H new ATOM 0 HB2 ASP A 11 0.726 -2.807 9.389 1.00 61.43 H new ATOM 0 HB3 ASP A 11 1.573 -2.432 7.902 1.00 61.43 H new ATOM 186 N VAL A 12 1.194 0.090 6.566 1.00 14.52 N ATOM 187 CA VAL A 12 1.780 1.051 5.625 1.00 43.32 C ATOM 188 C VAL A 12 1.085 2.422 5.734 1.00 51.32 C ATOM 189 O VAL A 12 1.737 3.470 5.708 1.00 30.32 O ATOM 190 CB VAL A 12 1.688 0.535 4.166 1.00 65.14 C ATOM 191 CG1 VAL A 12 2.335 1.520 3.192 1.00 4.22 C ATOM 192 CG2 VAL A 12 2.324 -0.850 4.042 1.00 72.44 C ATOM 0 H VAL A 12 0.734 -0.705 6.122 1.00 14.52 H new ATOM 0 HA VAL A 12 2.831 1.164 5.890 1.00 43.32 H new ATOM 0 HB VAL A 12 0.633 0.451 3.904 1.00 65.14 H new ATOM 0 HG11 VAL A 12 2.256 1.132 2.176 1.00 4.22 H new ATOM 0 HG12 VAL A 12 1.825 2.481 3.254 1.00 4.22 H new ATOM 0 HG13 VAL A 12 3.386 1.649 3.450 1.00 4.22 H new ATOM 0 HG21 VAL A 12 2.249 -1.194 3.010 1.00 72.44 H new ATOM 0 HG22 VAL A 12 3.374 -0.796 4.331 1.00 72.44 H new ATOM 0 HG23 VAL A 12 1.803 -1.549 4.696 1.00 72.44 H new ATOM 202 N LEU A 13 -0.243 2.406 5.875 1.00 51.42 N ATOM 203 CA LEU A 13 -1.022 3.637 6.073 1.00 64.24 C ATOM 204 C LEU A 13 -0.605 4.362 7.364 1.00 64.44 C ATOM 205 O LEU A 13 -0.666 5.590 7.448 1.00 64.23 O ATOM 206 CB LEU A 13 -2.522 3.318 6.127 1.00 70.12 C ATOM 207 CG LEU A 13 -3.116 2.693 4.855 1.00 73.22 C ATOM 208 CD1 LEU A 13 -4.596 2.374 5.053 1.00 63.53 C ATOM 209 CD2 LEU A 13 -2.921 3.615 3.652 1.00 73.44 C ATOM 0 H LEU A 13 -0.804 1.555 5.856 1.00 51.42 H new ATOM 0 HA LEU A 13 -0.820 4.294 5.227 1.00 64.24 H new ATOM 0 HB2 LEU A 13 -2.701 2.639 6.961 1.00 70.12 H new ATOM 0 HB3 LEU A 13 -3.063 4.239 6.344 1.00 70.12 H new ATOM 0 HG LEU A 13 -2.587 1.761 4.657 1.00 73.22 H new ATOM 0 HD11 LEU A 13 -4.998 1.932 4.141 1.00 63.53 H new ATOM 0 HD12 LEU A 13 -4.709 1.670 5.878 1.00 63.53 H new ATOM 0 HD13 LEU A 13 -5.139 3.291 5.282 1.00 63.53 H new ATOM 0 HD21 LEU A 13 -3.350 3.150 2.764 1.00 73.44 H new ATOM 0 HD22 LEU A 13 -3.418 4.567 3.839 1.00 73.44 H new ATOM 0 HD23 LEU A 13 -1.856 3.786 3.494 1.00 73.44 H new ATOM 221 N GLN A 14 -0.190 3.592 8.370 1.00 14.24 N ATOM 222 CA GLN A 14 0.282 4.153 9.643 1.00 42.35 C ATOM 223 C GLN A 14 1.639 4.865 9.489 1.00 61.44 C ATOM 224 O GLN A 14 2.061 5.609 10.377 1.00 63.13 O ATOM 225 CB GLN A 14 0.376 3.052 10.710 1.00 2.33 C ATOM 226 CG GLN A 14 -0.980 2.498 11.141 1.00 44.21 C ATOM 227 CD GLN A 14 -1.837 3.525 11.866 1.00 43.31 C ATOM 228 OE1 GLN A 14 -1.329 4.412 12.543 1.00 24.14 O ATOM 229 NE2 GLN A 14 -3.143 3.419 11.731 1.00 14.33 N ATOM 0 H GLN A 14 -0.170 2.573 8.331 1.00 14.24 H new ATOM 0 HA GLN A 14 -0.446 4.899 9.962 1.00 42.35 H new ATOM 0 HB2 GLN A 14 0.986 2.235 10.324 1.00 2.33 H new ATOM 0 HB3 GLN A 14 0.891 3.449 11.585 1.00 2.33 H new ATOM 0 HG2 GLN A 14 -1.516 2.140 10.262 1.00 44.21 H new ATOM 0 HG3 GLN A 14 -0.825 1.638 11.792 1.00 44.21 H new ATOM 0 HE21 GLN A 14 -3.538 2.671 11.161 1.00 14.33 H new ATOM 0 HE22 GLN A 14 -3.760 4.085 12.196 1.00 14.33 H new ATOM 238 N MET A 15 2.324 4.616 8.373 1.00 22.34 N ATOM 239 CA MET A 15 3.566 5.328 8.049 1.00 41.12 C ATOM 240 C MET A 15 3.246 6.635 7.313 1.00 52.41 C ATOM 241 O MET A 15 3.835 7.682 7.586 1.00 52.13 O ATOM 242 CB MET A 15 4.471 4.453 7.176 1.00 12.42 C ATOM 243 CG MET A 15 4.530 3.008 7.630 1.00 63.34 C ATOM 244 SD MET A 15 5.737 2.037 6.709 1.00 22.25 S ATOM 245 CE MET A 15 5.516 0.427 7.460 1.00 32.13 C ATOM 0 H MET A 15 2.042 3.927 7.676 1.00 22.34 H new ATOM 0 HA MET A 15 4.087 5.557 8.979 1.00 41.12 H new ATOM 0 HB2 MET A 15 4.115 4.488 6.146 1.00 12.42 H new ATOM 0 HB3 MET A 15 5.479 4.869 7.179 1.00 12.42 H new ATOM 0 HG2 MET A 15 4.777 2.975 8.691 1.00 63.34 H new ATOM 0 HG3 MET A 15 3.545 2.556 7.518 1.00 63.34 H new ATOM 0 HE1 MET A 15 6.196 -0.287 6.996 1.00 32.13 H new ATOM 0 HE2 MET A 15 5.730 0.491 8.527 1.00 32.13 H new ATOM 0 HE3 MET A 15 4.488 0.096 7.315 1.00 32.13 H new ATOM 255 N ASP A 16 2.313 6.548 6.366 1.00 34.43 N ATOM 256 CA ASP A 16 1.829 7.723 5.634 1.00 44.50 C ATOM 257 C ASP A 16 0.482 7.423 4.945 1.00 71.10 C ATOM 258 O ASP A 16 0.322 6.388 4.293 1.00 1.32 O ATOM 259 CB ASP A 16 2.867 8.173 4.597 1.00 71.54 C ATOM 260 CG ASP A 16 2.582 9.566 4.062 1.00 64.43 C ATOM 261 OD1 ASP A 16 1.775 9.698 3.125 1.00 44.21 O ATOM 262 OD2 ASP A 16 3.168 10.537 4.579 1.00 54.15 O ATOM 0 H ASP A 16 1.874 5.672 6.085 1.00 34.43 H new ATOM 0 HA ASP A 16 1.676 8.530 6.350 1.00 44.50 H new ATOM 0 HB2 ASP A 16 3.859 8.156 5.048 1.00 71.54 H new ATOM 0 HB3 ASP A 16 2.881 7.464 3.769 1.00 71.54 H new ATOM 267 N ARG A 17 -0.478 8.342 5.081 1.00 74.21 N ATOM 268 CA ARG A 17 -1.821 8.156 4.508 1.00 74.13 C ATOM 269 C ARG A 17 -1.806 8.230 2.973 1.00 34.52 C ATOM 270 O ARG A 17 -2.665 7.654 2.304 1.00 32.02 O ATOM 271 CB ARG A 17 -2.792 9.211 5.059 1.00 12.25 C ATOM 272 CG ARG A 17 -2.930 9.215 6.580 1.00 24.22 C ATOM 273 CD ARG A 17 -3.373 7.862 7.130 1.00 3.32 C ATOM 274 NE ARG A 17 -3.744 7.947 8.543 1.00 34.31 N ATOM 275 CZ ARG A 17 -2.979 7.579 9.537 1.00 43.10 C ATOM 276 NH1 ARG A 17 -1.804 7.074 9.327 1.00 15.32 N ATOM 277 NH2 ARG A 17 -3.395 7.718 10.749 1.00 73.01 N ATOM 0 H ARG A 17 -0.354 9.222 5.581 1.00 74.21 H new ATOM 0 HA ARG A 17 -2.156 7.160 4.798 1.00 74.13 H new ATOM 0 HB2 ARG A 17 -2.459 10.197 4.735 1.00 12.25 H new ATOM 0 HB3 ARG A 17 -3.775 9.046 4.618 1.00 12.25 H new ATOM 0 HG2 ARG A 17 -1.975 9.491 7.028 1.00 24.22 H new ATOM 0 HG3 ARG A 17 -3.652 9.977 6.874 1.00 24.22 H new ATOM 0 HD2 ARG A 17 -4.221 7.495 6.553 1.00 3.32 H new ATOM 0 HD3 ARG A 17 -2.567 7.138 7.008 1.00 3.32 H new ATOM 0 HE ARG A 17 -4.666 8.320 8.769 1.00 34.31 H new ATOM 0 HH11 ARG A 17 -1.462 6.958 8.373 1.00 15.32 H new ATOM 0 HH12 ARG A 17 -1.221 6.793 10.116 1.00 15.32 H new ATOM 0 HH21 ARG A 17 -4.318 8.114 10.929 1.00 73.01 H new ATOM 0 HH22 ARG A 17 -2.802 7.432 11.528 1.00 73.01 H new ATOM 291 N GLY A 18 -0.813 8.923 2.421 1.00 72.53 N ATOM 292 CA GLY A 18 -0.714 9.099 0.974 1.00 73.02 C ATOM 293 C GLY A 18 -0.436 7.800 0.213 1.00 33.34 C ATOM 294 O GLY A 18 -0.351 7.799 -1.014 1.00 51.45 O ATOM 0 H GLY A 18 -0.067 9.371 2.952 1.00 72.53 H new ATOM 0 HA2 GLY A 18 -1.643 9.534 0.605 1.00 73.02 H new ATOM 0 HA3 GLY A 18 0.080 9.814 0.757 1.00 73.02 H new ATOM 298 N THR A 19 -0.291 6.695 0.940 1.00 74.52 N ATOM 299 CA THR A 19 -0.088 5.378 0.321 1.00 1.40 C ATOM 300 C THR A 19 -1.418 4.741 -0.108 1.00 73.12 C ATOM 301 O THR A 19 -1.446 3.874 -0.983 1.00 61.04 O ATOM 302 CB THR A 19 0.645 4.411 1.279 1.00 45.15 C ATOM 303 OG1 THR A 19 -0.119 4.229 2.477 1.00 23.34 O ATOM 304 CG2 THR A 19 2.031 4.938 1.634 1.00 21.32 C ATOM 0 H THR A 19 -0.310 6.680 1.960 1.00 74.52 H new ATOM 0 HA THR A 19 0.527 5.545 -0.563 1.00 1.40 H new ATOM 0 HB THR A 19 0.757 3.454 0.769 1.00 45.15 H new ATOM 0 HG1 THR A 19 0.046 4.978 3.087 1.00 23.34 H new ATOM 0 HG21 THR A 19 2.524 4.239 2.309 1.00 21.32 H new ATOM 0 HG22 THR A 19 2.623 5.045 0.725 1.00 21.32 H new ATOM 0 HG23 THR A 19 1.937 5.908 2.122 1.00 21.32 H new ATOM 312 N ALA A 20 -2.523 5.191 0.496 1.00 12.35 N ATOM 313 CA ALA A 20 -3.858 4.657 0.178 1.00 34.54 C ATOM 314 C ALA A 20 -4.181 4.739 -1.332 1.00 25.01 C ATOM 315 O ALA A 20 -4.570 3.735 -1.937 1.00 32.20 O ATOM 316 CB ALA A 20 -4.931 5.364 1.007 1.00 32.21 C ATOM 0 H ALA A 20 -2.523 5.922 1.207 1.00 12.35 H new ATOM 0 HA ALA A 20 -3.853 3.599 0.441 1.00 34.54 H new ATOM 0 HB1 ALA A 20 -5.911 4.956 0.758 1.00 32.21 H new ATOM 0 HB2 ALA A 20 -4.732 5.209 2.067 1.00 32.21 H new ATOM 0 HB3 ALA A 20 -4.916 6.431 0.787 1.00 32.21 H new ATOM 322 N PRO A 21 -4.018 5.920 -1.981 1.00 1.43 N ATOM 323 CA PRO A 21 -4.232 6.046 -3.434 1.00 51.01 C ATOM 324 C PRO A 21 -3.283 5.151 -4.252 1.00 53.03 C ATOM 325 O PRO A 21 -3.598 4.764 -5.376 1.00 14.32 O ATOM 326 CB PRO A 21 -3.970 7.536 -3.721 1.00 61.54 C ATOM 327 CG PRO A 21 -3.173 8.022 -2.556 1.00 34.32 C ATOM 328 CD PRO A 21 -3.637 7.215 -1.375 1.00 4.43 C ATOM 0 HA PRO A 21 -5.232 5.723 -3.722 1.00 51.01 H new ATOM 0 HB2 PRO A 21 -3.424 7.667 -4.655 1.00 61.54 H new ATOM 0 HB3 PRO A 21 -4.904 8.089 -3.818 1.00 61.54 H new ATOM 0 HG2 PRO A 21 -2.106 7.884 -2.728 1.00 34.32 H new ATOM 0 HG3 PRO A 21 -3.334 9.087 -2.389 1.00 34.32 H new ATOM 0 HD2 PRO A 21 -2.847 7.096 -0.633 1.00 4.43 H new ATOM 0 HD3 PRO A 21 -4.480 7.687 -0.870 1.00 4.43 H new ATOM 336 N ILE A 22 -2.125 4.814 -3.678 1.00 71.53 N ATOM 337 CA ILE A 22 -1.168 3.916 -4.341 1.00 24.11 C ATOM 338 C ILE A 22 -1.702 2.474 -4.369 1.00 50.50 C ATOM 339 O ILE A 22 -1.606 1.780 -5.387 1.00 42.24 O ATOM 340 CB ILE A 22 0.218 3.945 -3.648 1.00 64.33 C ATOM 341 CG1 ILE A 22 0.757 5.386 -3.590 1.00 34.35 C ATOM 342 CG2 ILE A 22 1.204 3.025 -4.372 1.00 63.52 C ATOM 343 CD1 ILE A 22 2.093 5.517 -2.887 1.00 23.12 C ATOM 0 H ILE A 22 -1.826 5.146 -2.761 1.00 71.53 H new ATOM 0 HA ILE A 22 -1.047 4.274 -5.363 1.00 24.11 H new ATOM 0 HB ILE A 22 0.102 3.579 -2.628 1.00 64.33 H new ATOM 0 HG12 ILE A 22 0.854 5.768 -4.606 1.00 34.35 H new ATOM 0 HG13 ILE A 22 0.027 6.016 -3.081 1.00 34.35 H new ATOM 0 HG21 ILE A 22 2.171 3.060 -3.869 1.00 63.52 H new ATOM 0 HG22 ILE A 22 0.825 2.003 -4.359 1.00 63.52 H new ATOM 0 HG23 ILE A 22 1.320 3.356 -5.404 1.00 63.52 H new ATOM 0 HD11 ILE A 22 2.404 6.562 -2.888 1.00 23.12 H new ATOM 0 HD12 ILE A 22 1.999 5.168 -1.859 1.00 23.12 H new ATOM 0 HD13 ILE A 22 2.839 4.916 -3.408 1.00 23.12 H new ATOM 355 N PHE A 23 -2.271 2.025 -3.247 1.00 25.51 N ATOM 356 CA PHE A 23 -2.952 0.727 -3.196 1.00 12.04 C ATOM 357 C PHE A 23 -4.096 0.686 -4.221 1.00 11.44 C ATOM 358 O PHE A 23 -4.214 -0.259 -5.010 1.00 22.42 O ATOM 359 CB PHE A 23 -3.501 0.447 -1.786 1.00 21.13 C ATOM 360 CG PHE A 23 -2.436 0.198 -0.747 1.00 72.21 C ATOM 361 CD1 PHE A 23 -1.721 -0.991 -0.744 1.00 14.02 C ATOM 362 CD2 PHE A 23 -2.153 1.146 0.228 1.00 0.31 C ATOM 363 CE1 PHE A 23 -0.745 -1.229 0.206 1.00 51.15 C ATOM 364 CE2 PHE A 23 -1.179 0.912 1.182 1.00 60.43 C ATOM 365 CZ PHE A 23 -0.474 -0.277 1.169 1.00 15.53 C ATOM 0 H PHE A 23 -2.274 2.538 -2.365 1.00 25.51 H new ATOM 0 HA PHE A 23 -2.224 -0.046 -3.441 1.00 12.04 H new ATOM 0 HB2 PHE A 23 -4.110 1.294 -1.470 1.00 21.13 H new ATOM 0 HB3 PHE A 23 -4.160 -0.420 -1.830 1.00 21.13 H new ATOM 0 HD1 PHE A 23 -1.929 -1.740 -1.493 1.00 14.02 H new ATOM 0 HD2 PHE A 23 -2.700 2.077 0.241 1.00 0.31 H new ATOM 0 HE1 PHE A 23 -0.195 -2.158 0.195 1.00 51.15 H new ATOM 0 HE2 PHE A 23 -0.970 1.657 1.936 1.00 60.43 H new ATOM 0 HZ PHE A 23 0.288 -0.461 1.912 1.00 15.53 H new ATOM 375 N ILE A 24 -4.924 1.730 -4.214 1.00 3.04 N ATOM 376 CA ILE A 24 -6.021 1.858 -5.181 1.00 62.33 C ATOM 377 C ILE A 24 -5.488 1.906 -6.626 1.00 55.33 C ATOM 378 O ILE A 24 -6.082 1.331 -7.539 1.00 40.43 O ATOM 379 CB ILE A 24 -6.879 3.123 -4.902 1.00 11.13 C ATOM 380 CG1 ILE A 24 -7.454 3.075 -3.475 1.00 0.05 C ATOM 381 CG2 ILE A 24 -8.004 3.255 -5.931 1.00 61.13 C ATOM 382 CD1 ILE A 24 -8.265 4.299 -3.096 1.00 14.22 C ATOM 0 H ILE A 24 -4.858 2.502 -3.550 1.00 3.04 H new ATOM 0 HA ILE A 24 -6.651 0.976 -5.065 1.00 62.33 H new ATOM 0 HB ILE A 24 -6.237 3.999 -4.989 1.00 11.13 H new ATOM 0 HG12 ILE A 24 -8.083 2.190 -3.377 1.00 0.05 H new ATOM 0 HG13 ILE A 24 -6.633 2.962 -2.767 1.00 0.05 H new ATOM 0 HG21 ILE A 24 -8.591 4.148 -5.716 1.00 61.13 H new ATOM 0 HG22 ILE A 24 -7.576 3.335 -6.930 1.00 61.13 H new ATOM 0 HG23 ILE A 24 -8.647 2.377 -5.881 1.00 61.13 H new ATOM 0 HD11 ILE A 24 -8.635 4.189 -2.077 1.00 14.22 H new ATOM 0 HD12 ILE A 24 -7.635 5.187 -3.159 1.00 14.22 H new ATOM 0 HD13 ILE A 24 -9.108 4.403 -3.779 1.00 14.22 H new ATOM 394 N ASN A 25 -4.352 2.578 -6.814 1.00 61.41 N ATOM 395 CA ASN A 25 -3.697 2.678 -8.129 1.00 14.22 C ATOM 396 C ASN A 25 -3.400 1.297 -8.733 1.00 60.54 C ATOM 397 O ASN A 25 -3.441 1.116 -9.950 1.00 12.23 O ATOM 398 CB ASN A 25 -2.399 3.494 -7.997 1.00 24.32 C ATOM 399 CG ASN A 25 -1.561 3.499 -9.256 1.00 0.21 C ATOM 400 OD1 ASN A 25 -1.824 4.236 -10.201 1.00 44.44 O ATOM 401 ND2 ASN A 25 -0.514 2.717 -9.247 1.00 45.42 N ATOM 0 H ASN A 25 -3.858 3.067 -6.067 1.00 61.41 H new ATOM 0 HA ASN A 25 -4.383 3.184 -8.808 1.00 14.22 H new ATOM 0 HB2 ASN A 25 -2.650 4.521 -7.733 1.00 24.32 H new ATOM 0 HB3 ASN A 25 -1.806 3.089 -7.177 1.00 24.32 H new ATOM 0 HD21 ASN A 25 0.120 2.705 -10.046 1.00 45.42 H new ATOM 0 HD22 ASN A 25 -0.331 2.119 -8.441 1.00 45.42 H new ATOM 408 N ASN A 26 -3.107 0.324 -7.879 1.00 22.33 N ATOM 409 CA ASN A 26 -2.791 -1.029 -8.340 1.00 33.45 C ATOM 410 C ASN A 26 -4.040 -1.928 -8.427 1.00 12.45 C ATOM 411 O ASN A 26 -3.968 -3.042 -8.944 1.00 62.21 O ATOM 412 CB ASN A 26 -1.724 -1.653 -7.439 1.00 33.11 C ATOM 413 CG ASN A 26 -0.349 -1.057 -7.693 1.00 20.34 C ATOM 414 OD1 ASN A 26 0.418 -1.570 -8.503 1.00 71.22 O ATOM 415 ND2 ASN A 26 -0.028 0.033 -7.020 1.00 55.50 N ATOM 0 H ASN A 26 -3.081 0.442 -6.866 1.00 22.33 H new ATOM 0 HA ASN A 26 -2.398 -0.949 -9.354 1.00 33.45 H new ATOM 0 HB2 ASN A 26 -1.998 -1.503 -6.395 1.00 33.11 H new ATOM 0 HB3 ASN A 26 -1.690 -2.729 -7.608 1.00 33.11 H new ATOM 0 HD21 ASN A 26 0.880 0.474 -7.166 1.00 55.50 H new ATOM 0 HD22 ASN A 26 -0.688 0.434 -6.354 1.00 55.50 H new ATOM 422 N GLY A 27 -5.183 -1.436 -7.941 1.00 31.54 N ATOM 423 CA GLY A 27 -6.430 -2.202 -8.044 1.00 61.40 C ATOM 424 C GLY A 27 -7.199 -2.349 -6.727 1.00 0.43 C ATOM 425 O GLY A 27 -8.316 -2.867 -6.719 1.00 31.43 O ATOM 0 H GLY A 27 -5.272 -0.530 -7.481 1.00 31.54 H new ATOM 0 HA2 GLY A 27 -7.078 -1.720 -8.776 1.00 61.40 H new ATOM 0 HA3 GLY A 27 -6.200 -3.196 -8.428 1.00 61.40 H new ATOM 429 N MET A 28 -6.611 -1.918 -5.610 1.00 74.24 N ATOM 430 CA MET A 28 -7.310 -1.976 -4.315 1.00 1.12 C ATOM 431 C MET A 28 -8.370 -0.863 -4.207 1.00 22.43 C ATOM 432 O MET A 28 -8.503 -0.031 -5.106 1.00 23.15 O ATOM 433 CB MET A 28 -6.316 -1.875 -3.149 1.00 61.12 C ATOM 434 CG MET A 28 -5.269 -2.981 -3.136 1.00 23.34 C ATOM 435 SD MET A 28 -4.308 -3.010 -1.612 1.00 1.51 S ATOM 436 CE MET A 28 -3.299 -4.465 -1.877 1.00 33.23 C ATOM 0 H MET A 28 -5.668 -1.530 -5.569 1.00 74.24 H new ATOM 0 HA MET A 28 -7.816 -2.940 -4.257 1.00 1.12 H new ATOM 0 HB2 MET A 28 -5.811 -0.910 -3.197 1.00 61.12 H new ATOM 0 HB3 MET A 28 -6.868 -1.899 -2.210 1.00 61.12 H new ATOM 0 HG2 MET A 28 -5.762 -3.944 -3.268 1.00 23.34 H new ATOM 0 HG3 MET A 28 -4.596 -2.848 -3.983 1.00 23.34 H new ATOM 0 HE1 MET A 28 -2.551 -4.538 -1.087 1.00 33.23 H new ATOM 0 HE2 MET A 28 -3.930 -5.353 -1.862 1.00 33.23 H new ATOM 0 HE3 MET A 28 -2.800 -4.391 -2.843 1.00 33.23 H new ATOM 446 N HIS A 29 -9.127 -0.850 -3.110 1.00 51.34 N ATOM 447 CA HIS A 29 -10.182 0.158 -2.908 1.00 64.33 C ATOM 448 C HIS A 29 -10.161 0.723 -1.478 1.00 2.22 C ATOM 449 O HIS A 29 -9.407 0.258 -0.624 1.00 23.15 O ATOM 450 CB HIS A 29 -11.564 -0.442 -3.215 1.00 33.43 C ATOM 451 CG HIS A 29 -11.716 -0.918 -4.631 1.00 53.55 C ATOM 452 ND1 HIS A 29 -12.107 -2.198 -4.960 1.00 24.13 N ATOM 453 CD2 HIS A 29 -11.530 -0.275 -5.810 1.00 22.34 C ATOM 454 CE1 HIS A 29 -12.148 -2.323 -6.270 1.00 51.42 C ATOM 455 NE2 HIS A 29 -11.802 -1.174 -6.811 1.00 3.24 N ATOM 0 H HIS A 29 -9.034 -1.521 -2.347 1.00 51.34 H new ATOM 0 HA HIS A 29 -9.986 0.979 -3.597 1.00 64.33 H new ATOM 0 HB2 HIS A 29 -11.745 -1.278 -2.539 1.00 33.43 H new ATOM 0 HB3 HIS A 29 -12.329 0.307 -3.009 1.00 33.43 H new ATOM 0 HD2 HIS A 29 -11.225 0.753 -5.938 1.00 22.34 H new ATOM 0 HE1 HIS A 29 -12.420 -3.218 -6.810 1.00 51.42 H new ATOM 0 HE2 HIS A 29 -11.745 -0.983 -7.811 1.00 3.24 H new ATOM 464 N CYS A 30 -11.002 1.728 -1.234 1.00 21.42 N ATOM 465 CA CYS A 30 -11.113 2.368 0.088 1.00 33.34 C ATOM 466 C CYS A 30 -11.838 1.462 1.103 1.00 73.34 C ATOM 467 O CYS A 30 -11.988 0.256 0.886 1.00 22.01 O ATOM 468 CB CYS A 30 -11.858 3.704 -0.048 1.00 63.45 C ATOM 469 SG CYS A 30 -13.523 3.555 -0.737 1.00 73.21 S ATOM 0 H CYS A 30 -11.624 2.124 -1.939 1.00 21.42 H new ATOM 0 HA CYS A 30 -10.105 2.542 0.463 1.00 33.34 H new ATOM 0 HB2 CYS A 30 -11.924 4.173 0.934 1.00 63.45 H new ATOM 0 HB3 CYS A 30 -11.273 4.371 -0.681 1.00 63.45 H new ATOM 0 HG CYS A 30 -14.069 4.732 -0.810 1.00 73.21 H new ATOM 475 N LEU A 31 -12.280 2.044 2.220 1.00 15.12 N ATOM 476 CA LEU A 31 -12.959 1.282 3.274 1.00 12.13 C ATOM 477 C LEU A 31 -14.380 0.869 2.838 1.00 55.53 C ATOM 478 O LEU A 31 -15.376 1.463 3.251 1.00 53.20 O ATOM 479 CB LEU A 31 -12.991 2.095 4.589 1.00 54.05 C ATOM 480 CG LEU A 31 -13.141 1.287 5.903 1.00 23.30 C ATOM 481 CD1 LEU A 31 -14.522 0.643 6.029 1.00 14.12 C ATOM 482 CD2 LEU A 31 -12.045 0.228 6.009 1.00 34.34 C ATOM 0 H LEU A 31 -12.181 3.039 2.419 1.00 15.12 H new ATOM 0 HA LEU A 31 -12.395 0.366 3.451 1.00 12.13 H new ATOM 0 HB2 LEU A 31 -12.072 2.678 4.651 1.00 54.05 H new ATOM 0 HB3 LEU A 31 -13.816 2.805 4.530 1.00 54.05 H new ATOM 0 HG LEU A 31 -13.035 1.991 6.729 1.00 23.30 H new ATOM 0 HD11 LEU A 31 -14.580 0.087 6.965 1.00 14.12 H new ATOM 0 HD12 LEU A 31 -15.288 1.419 6.019 1.00 14.12 H new ATOM 0 HD13 LEU A 31 -14.684 -0.037 5.193 1.00 14.12 H new ATOM 0 HD21 LEU A 31 -12.166 -0.329 6.938 1.00 34.34 H new ATOM 0 HD22 LEU A 31 -12.117 -0.456 5.163 1.00 34.34 H new ATOM 0 HD23 LEU A 31 -11.069 0.713 6.002 1.00 34.34 H new ATOM 494 N GLY A 32 -14.453 -0.126 1.956 1.00 2.01 N ATOM 495 CA GLY A 32 -15.732 -0.745 1.618 1.00 42.43 C ATOM 496 C GLY A 32 -16.017 -1.945 2.512 1.00 41.32 C ATOM 497 O GLY A 32 -17.166 -2.348 2.701 1.00 13.04 O ATOM 0 H GLY A 32 -13.649 -0.518 1.466 1.00 2.01 H new ATOM 0 HA2 GLY A 32 -16.532 -0.012 1.722 1.00 42.43 H new ATOM 0 HA3 GLY A 32 -15.722 -1.060 0.575 1.00 42.43 H new ATOM 501 N CYS A 33 -14.945 -2.515 3.055 1.00 52.41 N ATOM 502 CA CYS A 33 -15.025 -3.623 4.010 1.00 14.13 C ATOM 503 C CYS A 33 -13.880 -3.517 5.030 1.00 3.33 C ATOM 504 O CYS A 33 -12.732 -3.290 4.647 1.00 53.51 O ATOM 505 CB CYS A 33 -14.948 -4.972 3.279 1.00 13.22 C ATOM 506 SG CYS A 33 -16.279 -5.245 2.083 1.00 43.12 S ATOM 0 H CYS A 33 -13.991 -2.222 2.846 1.00 52.41 H new ATOM 0 HA CYS A 33 -15.980 -3.564 4.532 1.00 14.13 H new ATOM 0 HB2 CYS A 33 -13.991 -5.038 2.762 1.00 13.22 H new ATOM 0 HB3 CYS A 33 -14.968 -5.774 4.017 1.00 13.22 H new ATOM 0 HG CYS A 33 -17.057 -4.204 2.055 1.00 43.12 H new ATOM 512 N PRO A 34 -14.165 -3.691 6.337 1.00 71.35 N ATOM 513 CA PRO A 34 -13.151 -3.533 7.403 1.00 42.22 C ATOM 514 C PRO A 34 -11.907 -4.416 7.188 1.00 63.14 C ATOM 515 O PRO A 34 -10.791 -4.036 7.544 1.00 75.14 O ATOM 516 CB PRO A 34 -13.904 -3.942 8.684 1.00 3.41 C ATOM 517 CG PRO A 34 -15.116 -4.682 8.211 1.00 50.41 C ATOM 518 CD PRO A 34 -15.480 -4.066 6.888 1.00 40.35 C ATOM 0 HA PRO A 34 -12.757 -2.517 7.434 1.00 42.22 H new ATOM 0 HB2 PRO A 34 -13.283 -4.571 9.321 1.00 3.41 H new ATOM 0 HB3 PRO A 34 -14.182 -3.068 9.273 1.00 3.41 H new ATOM 0 HG2 PRO A 34 -14.907 -5.746 8.103 1.00 50.41 H new ATOM 0 HG3 PRO A 34 -15.935 -4.589 8.925 1.00 50.41 H new ATOM 0 HD2 PRO A 34 -16.004 -4.771 6.243 1.00 40.35 H new ATOM 0 HD3 PRO A 34 -16.131 -3.200 7.009 1.00 40.35 H new ATOM 526 N SER A 35 -12.112 -5.587 6.587 1.00 54.24 N ATOM 527 CA SER A 35 -11.018 -6.532 6.304 1.00 64.40 C ATOM 528 C SER A 35 -9.892 -5.896 5.477 1.00 75.30 C ATOM 529 O SER A 35 -8.719 -6.171 5.710 1.00 32.11 O ATOM 530 CB SER A 35 -11.563 -7.764 5.567 1.00 22.11 C ATOM 531 OG SER A 35 -10.519 -8.632 5.152 1.00 63.23 O ATOM 0 H SER A 35 -13.030 -5.911 6.283 1.00 54.24 H new ATOM 0 HA SER A 35 -10.595 -6.827 7.264 1.00 64.40 H new ATOM 0 HB2 SER A 35 -12.248 -8.305 6.220 1.00 22.11 H new ATOM 0 HB3 SER A 35 -12.137 -7.444 4.698 1.00 22.11 H new ATOM 0 HG SER A 35 -9.782 -8.588 5.796 1.00 63.23 H new ATOM 537 N SER A 36 -10.261 -5.010 4.549 1.00 31.40 N ATOM 538 CA SER A 36 -9.308 -4.412 3.589 1.00 61.33 C ATOM 539 C SER A 36 -8.023 -3.877 4.252 1.00 45.21 C ATOM 540 O SER A 36 -6.950 -3.901 3.654 1.00 3.02 O ATOM 541 CB SER A 36 -9.988 -3.270 2.819 1.00 61.14 C ATOM 542 OG SER A 36 -9.098 -2.656 1.901 1.00 45.33 O ATOM 0 H SER A 36 -11.221 -4.683 4.436 1.00 31.40 H new ATOM 0 HA SER A 36 -9.011 -5.214 2.913 1.00 61.33 H new ATOM 0 HB2 SER A 36 -10.854 -3.657 2.283 1.00 61.14 H new ATOM 0 HB3 SER A 36 -10.356 -2.524 3.524 1.00 61.14 H new ATOM 0 HG SER A 36 -9.563 -1.935 1.427 1.00 45.33 H new ATOM 548 N MET A 37 -8.131 -3.407 5.493 1.00 23.04 N ATOM 549 CA MET A 37 -6.993 -2.779 6.179 1.00 32.12 C ATOM 550 C MET A 37 -6.080 -3.812 6.862 1.00 4.23 C ATOM 551 O MET A 37 -4.865 -3.620 6.937 1.00 72.52 O ATOM 552 CB MET A 37 -7.502 -1.758 7.207 1.00 22.45 C ATOM 553 CG MET A 37 -8.440 -0.692 6.636 1.00 13.24 C ATOM 554 SD MET A 37 -7.592 0.661 5.776 1.00 1.44 S ATOM 555 CE MET A 37 -6.934 -0.140 4.310 1.00 75.23 C ATOM 0 H MET A 37 -8.988 -3.446 6.045 1.00 23.04 H new ATOM 0 HA MET A 37 -6.394 -2.272 5.423 1.00 32.12 H new ATOM 0 HB2 MET A 37 -8.022 -2.292 8.003 1.00 22.45 H new ATOM 0 HB3 MET A 37 -6.645 -1.262 7.662 1.00 22.45 H new ATOM 0 HG2 MET A 37 -9.135 -1.168 5.944 1.00 13.24 H new ATOM 0 HG3 MET A 37 -9.035 -0.275 7.448 1.00 13.24 H new ATOM 0 HE1 MET A 37 -6.882 0.581 3.494 1.00 75.23 H new ATOM 0 HE2 MET A 37 -5.935 -0.522 4.521 1.00 75.23 H new ATOM 0 HE3 MET A 37 -7.585 -0.966 4.024 1.00 75.23 H new ATOM 565 N GLY A 38 -6.665 -4.905 7.343 1.00 15.04 N ATOM 566 CA GLY A 38 -5.902 -5.905 8.088 1.00 12.34 C ATOM 567 C GLY A 38 -5.157 -6.906 7.207 1.00 70.44 C ATOM 568 O GLY A 38 -4.313 -7.659 7.696 1.00 3.52 O ATOM 0 H GLY A 38 -7.656 -5.121 7.233 1.00 15.04 H new ATOM 0 HA2 GLY A 38 -5.182 -5.394 8.728 1.00 12.34 H new ATOM 0 HA3 GLY A 38 -6.581 -6.450 8.744 1.00 12.34 H new ATOM 572 N GLU A 39 -5.463 -6.925 5.913 1.00 62.15 N ATOM 573 CA GLU A 39 -4.836 -7.870 4.983 1.00 22.32 C ATOM 574 C GLU A 39 -3.390 -7.464 4.632 1.00 3.42 C ATOM 575 O GLU A 39 -3.067 -6.277 4.536 1.00 22.42 O ATOM 576 CB GLU A 39 -5.669 -7.958 3.696 1.00 20.22 C ATOM 577 CG GLU A 39 -7.173 -8.101 3.928 1.00 63.23 C ATOM 578 CD GLU A 39 -7.556 -9.369 4.681 1.00 14.42 C ATOM 579 OE1 GLU A 39 -7.630 -10.442 4.049 1.00 33.13 O ATOM 580 OE2 GLU A 39 -7.802 -9.299 5.905 1.00 4.11 O ATOM 0 H GLU A 39 -6.141 -6.298 5.481 1.00 62.15 H new ATOM 0 HA GLU A 39 -4.799 -8.841 5.476 1.00 22.32 H new ATOM 0 HB2 GLU A 39 -5.489 -7.064 3.099 1.00 20.22 H new ATOM 0 HB3 GLU A 39 -5.321 -8.809 3.110 1.00 20.22 H new ATOM 0 HG2 GLU A 39 -7.530 -7.235 4.486 1.00 63.23 H new ATOM 0 HG3 GLU A 39 -7.683 -8.092 2.965 1.00 63.23 H new ATOM 587 N SER A 40 -2.519 -8.456 4.454 1.00 45.54 N ATOM 588 CA SER A 40 -1.152 -8.211 3.966 1.00 75.12 C ATOM 589 C SER A 40 -1.173 -7.795 2.491 1.00 40.33 C ATOM 590 O SER A 40 -2.043 -8.227 1.737 1.00 73.11 O ATOM 591 CB SER A 40 -0.282 -9.469 4.125 1.00 53.44 C ATOM 592 OG SER A 40 -0.188 -9.867 5.482 1.00 2.44 O ATOM 0 H SER A 40 -2.730 -9.437 4.638 1.00 45.54 H new ATOM 0 HA SER A 40 -0.726 -7.404 4.563 1.00 75.12 H new ATOM 0 HB2 SER A 40 -0.705 -10.282 3.535 1.00 53.44 H new ATOM 0 HB3 SER A 40 0.716 -9.275 3.732 1.00 53.44 H new ATOM 0 HG SER A 40 0.370 -10.670 5.550 1.00 2.44 H new ATOM 598 N ILE A 41 -0.209 -6.975 2.078 1.00 14.31 N ATOM 599 CA ILE A 41 -0.156 -6.462 0.704 1.00 14.12 C ATOM 600 C ILE A 41 -0.256 -7.581 -0.352 1.00 0.11 C ATOM 601 O ILE A 41 -1.136 -7.546 -1.214 1.00 13.04 O ATOM 602 CB ILE A 41 1.145 -5.657 0.492 1.00 51.40 C ATOM 603 CG1 ILE A 41 1.188 -4.472 1.473 1.00 45.53 C ATOM 604 CG2 ILE A 41 1.261 -5.171 -0.954 1.00 61.20 C ATOM 605 CD1 ILE A 41 2.588 -4.035 1.830 1.00 73.33 C ATOM 0 H ILE A 41 0.551 -6.648 2.675 1.00 14.31 H new ATOM 0 HA ILE A 41 -1.023 -5.814 0.571 1.00 14.12 H new ATOM 0 HB ILE A 41 1.996 -6.310 0.688 1.00 51.40 H new ATOM 0 HG12 ILE A 41 0.653 -3.629 1.035 1.00 45.53 H new ATOM 0 HG13 ILE A 41 0.658 -4.747 2.385 1.00 45.53 H new ATOM 0 HG21 ILE A 41 2.186 -4.607 -1.075 1.00 61.20 H new ATOM 0 HG22 ILE A 41 1.268 -6.029 -1.627 1.00 61.20 H new ATOM 0 HG23 ILE A 41 0.412 -4.530 -1.192 1.00 61.20 H new ATOM 0 HD11 ILE A 41 2.541 -3.196 2.525 1.00 73.33 H new ATOM 0 HD12 ILE A 41 3.120 -4.864 2.297 1.00 73.33 H new ATOM 0 HD13 ILE A 41 3.115 -3.729 0.926 1.00 73.33 H new ATOM 617 N GLU A 42 0.634 -8.574 -0.281 1.00 0.35 N ATOM 618 CA GLU A 42 0.636 -9.678 -1.258 1.00 51.51 C ATOM 619 C GLU A 42 -0.675 -10.482 -1.210 1.00 44.05 C ATOM 620 O GLU A 42 -1.185 -10.930 -2.241 1.00 63.30 O ATOM 621 CB GLU A 42 1.830 -10.620 -1.012 1.00 34.21 C ATOM 622 CG GLU A 42 1.779 -11.366 0.322 1.00 74.14 C ATOM 623 CD GLU A 42 2.930 -12.347 0.495 1.00 73.14 C ATOM 624 OE1 GLU A 42 2.856 -13.460 -0.069 1.00 40.20 O ATOM 625 OE2 GLU A 42 3.909 -12.014 1.196 1.00 44.20 O ATOM 0 H GLU A 42 1.358 -8.641 0.434 1.00 0.35 H new ATOM 0 HA GLU A 42 0.727 -9.231 -2.248 1.00 51.51 H new ATOM 0 HB2 GLU A 42 1.875 -11.349 -1.821 1.00 34.21 H new ATOM 0 HB3 GLU A 42 2.751 -10.039 -1.055 1.00 34.21 H new ATOM 0 HG2 GLU A 42 1.798 -10.643 1.138 1.00 74.14 H new ATOM 0 HG3 GLU A 42 0.834 -11.905 0.396 1.00 74.14 H new ATOM 632 N ASP A 43 -1.220 -10.641 -0.006 1.00 71.14 N ATOM 633 CA ASP A 43 -2.438 -11.424 0.211 1.00 61.31 C ATOM 634 C ASP A 43 -3.671 -10.710 -0.382 1.00 25.43 C ATOM 635 O ASP A 43 -4.417 -11.286 -1.176 1.00 61.44 O ATOM 636 CB ASP A 43 -2.606 -11.668 1.717 1.00 70.22 C ATOM 637 CG ASP A 43 -3.714 -12.651 2.051 1.00 10.44 C ATOM 638 OD1 ASP A 43 -3.743 -13.752 1.461 1.00 21.12 O ATOM 639 OD2 ASP A 43 -4.554 -12.338 2.919 1.00 64.55 O ATOM 0 H ASP A 43 -0.833 -10.233 0.845 1.00 71.14 H new ATOM 0 HA ASP A 43 -2.351 -12.382 -0.302 1.00 61.31 H new ATOM 0 HB2 ASP A 43 -1.666 -12.040 2.124 1.00 70.22 H new ATOM 0 HB3 ASP A 43 -2.813 -10.718 2.210 1.00 70.22 H new ATOM 644 N ALA A 44 -3.860 -9.445 -0.004 1.00 12.52 N ATOM 645 CA ALA A 44 -4.948 -8.619 -0.542 1.00 34.50 C ATOM 646 C ALA A 44 -4.844 -8.475 -2.069 1.00 73.10 C ATOM 647 O ALA A 44 -5.850 -8.539 -2.783 1.00 11.51 O ATOM 648 CB ALA A 44 -4.938 -7.246 0.119 1.00 55.32 C ATOM 0 H ALA A 44 -3.271 -8.965 0.677 1.00 12.52 H new ATOM 0 HA ALA A 44 -5.891 -9.119 -0.319 1.00 34.50 H new ATOM 0 HB1 ALA A 44 -5.749 -6.641 -0.287 1.00 55.32 H new ATOM 0 HB2 ALA A 44 -5.073 -7.359 1.195 1.00 55.32 H new ATOM 0 HB3 ALA A 44 -3.985 -6.755 -0.077 1.00 55.32 H new ATOM 654 N CYS A 45 -3.622 -8.272 -2.567 1.00 44.44 N ATOM 655 CA CYS A 45 -3.377 -8.218 -4.013 1.00 34.41 C ATOM 656 C CYS A 45 -3.841 -9.510 -4.696 1.00 54.43 C ATOM 657 O CYS A 45 -4.513 -9.468 -5.726 1.00 60.01 O ATOM 658 CB CYS A 45 -1.889 -7.976 -4.313 1.00 2.14 C ATOM 659 SG CYS A 45 -1.291 -6.337 -3.833 1.00 21.12 S ATOM 0 H CYS A 45 -2.788 -8.143 -1.994 1.00 44.44 H new ATOM 0 HA CYS A 45 -3.953 -7.383 -4.412 1.00 34.41 H new ATOM 0 HB2 CYS A 45 -1.298 -8.732 -3.795 1.00 2.14 H new ATOM 0 HB3 CYS A 45 -1.718 -8.114 -5.381 1.00 2.14 H new ATOM 0 HG CYS A 45 -1.095 -6.306 -2.548 1.00 21.12 H new ATOM 665 N ALA A 46 -3.495 -10.654 -4.103 1.00 32.45 N ATOM 666 CA ALA A 46 -3.889 -11.962 -4.641 1.00 51.42 C ATOM 667 C ALA A 46 -5.415 -12.088 -4.791 1.00 61.43 C ATOM 668 O ALA A 46 -5.902 -12.633 -5.783 1.00 54.23 O ATOM 669 CB ALA A 46 -3.347 -13.079 -3.756 1.00 60.44 C ATOM 0 H ALA A 46 -2.941 -10.703 -3.248 1.00 32.45 H new ATOM 0 HA ALA A 46 -3.457 -12.052 -5.638 1.00 51.42 H new ATOM 0 HB1 ALA A 46 -3.645 -14.044 -4.165 1.00 60.44 H new ATOM 0 HB2 ALA A 46 -2.259 -13.020 -3.721 1.00 60.44 H new ATOM 0 HB3 ALA A 46 -3.748 -12.972 -2.748 1.00 60.44 H new ATOM 675 N VAL A 47 -6.157 -11.566 -3.813 1.00 73.10 N ATOM 676 CA VAL A 47 -7.629 -11.598 -3.836 1.00 2.42 C ATOM 677 C VAL A 47 -8.202 -10.959 -5.117 1.00 63.42 C ATOM 678 O VAL A 47 -9.159 -11.468 -5.706 1.00 61.11 O ATOM 679 CB VAL A 47 -8.221 -10.871 -2.598 1.00 12.10 C ATOM 680 CG1 VAL A 47 -9.749 -10.903 -2.616 1.00 13.45 C ATOM 681 CG2 VAL A 47 -7.681 -11.483 -1.306 1.00 64.31 C ATOM 0 H VAL A 47 -5.764 -11.112 -2.988 1.00 73.10 H new ATOM 0 HA VAL A 47 -7.916 -12.649 -3.815 1.00 2.42 H new ATOM 0 HB VAL A 47 -7.910 -9.827 -2.641 1.00 12.10 H new ATOM 0 HG11 VAL A 47 -10.134 -10.386 -1.737 1.00 13.45 H new ATOM 0 HG12 VAL A 47 -10.113 -10.408 -3.516 1.00 13.45 H new ATOM 0 HG13 VAL A 47 -10.091 -11.938 -2.608 1.00 13.45 H new ATOM 0 HG21 VAL A 47 -8.107 -10.960 -0.450 1.00 64.31 H new ATOM 0 HG22 VAL A 47 -7.955 -12.537 -1.261 1.00 64.31 H new ATOM 0 HG23 VAL A 47 -6.595 -11.389 -1.285 1.00 64.31 H new ATOM 691 N HIS A 48 -7.611 -9.841 -5.538 1.00 60.13 N ATOM 692 CA HIS A 48 -8.060 -9.124 -6.744 1.00 40.44 C ATOM 693 C HIS A 48 -7.302 -9.608 -7.999 1.00 12.25 C ATOM 694 O HIS A 48 -7.789 -9.473 -9.122 1.00 52.43 O ATOM 695 CB HIS A 48 -7.854 -7.609 -6.542 1.00 55.03 C ATOM 696 CG HIS A 48 -8.424 -6.733 -7.625 1.00 52.32 C ATOM 697 ND1 HIS A 48 -9.481 -5.873 -7.413 1.00 33.44 N ATOM 698 CD2 HIS A 48 -8.062 -6.560 -8.920 1.00 73.25 C ATOM 699 CE1 HIS A 48 -9.739 -5.211 -8.524 1.00 54.51 C ATOM 700 NE2 HIS A 48 -8.895 -5.610 -9.453 1.00 41.15 N ATOM 0 H HIS A 48 -6.818 -9.407 -5.065 1.00 60.13 H new ATOM 0 HA HIS A 48 -9.119 -9.332 -6.900 1.00 40.44 H new ATOM 0 HB2 HIS A 48 -8.303 -7.322 -5.591 1.00 55.03 H new ATOM 0 HB3 HIS A 48 -6.785 -7.412 -6.463 1.00 55.03 H new ATOM 0 HD2 HIS A 48 -7.265 -7.075 -9.436 1.00 73.25 H new ATOM 0 HE1 HIS A 48 -10.512 -4.467 -8.651 1.00 54.51 H new ATOM 0 HE2 HIS A 48 -8.866 -5.268 -10.413 1.00 41.15 H new ATOM 709 N GLY A 49 -6.115 -10.178 -7.795 1.00 54.43 N ATOM 710 CA GLY A 49 -5.261 -10.590 -8.911 1.00 44.44 C ATOM 711 C GLY A 49 -4.230 -9.523 -9.282 1.00 73.22 C ATOM 712 O GLY A 49 -3.741 -9.478 -10.412 1.00 43.32 O ATOM 0 H GLY A 49 -5.723 -10.365 -6.872 1.00 54.43 H new ATOM 0 HA2 GLY A 49 -4.745 -11.514 -8.648 1.00 44.44 H new ATOM 0 HA3 GLY A 49 -5.883 -10.808 -9.779 1.00 44.44 H new ATOM 716 N ILE A 50 -3.899 -8.671 -8.312 1.00 72.45 N ATOM 717 CA ILE A 50 -2.970 -7.553 -8.515 1.00 73.11 C ATOM 718 C ILE A 50 -1.503 -8.008 -8.479 1.00 2.34 C ATOM 719 O ILE A 50 -1.169 -9.029 -7.871 1.00 14.24 O ATOM 720 CB ILE A 50 -3.178 -6.473 -7.417 1.00 44.30 C ATOM 721 CG1 ILE A 50 -4.642 -6.017 -7.382 1.00 2.23 C ATOM 722 CG2 ILE A 50 -2.245 -5.277 -7.622 1.00 4.14 C ATOM 723 CD1 ILE A 50 -4.961 -5.066 -6.248 1.00 15.22 C ATOM 0 H ILE A 50 -4.266 -8.734 -7.362 1.00 72.45 H new ATOM 0 HA ILE A 50 -3.184 -7.141 -9.501 1.00 73.11 H new ATOM 0 HB ILE A 50 -2.930 -6.924 -6.456 1.00 44.30 H new ATOM 0 HG12 ILE A 50 -4.884 -5.533 -8.328 1.00 2.23 H new ATOM 0 HG13 ILE A 50 -5.284 -6.894 -7.299 1.00 2.23 H new ATOM 0 HG21 ILE A 50 -2.418 -4.542 -6.836 1.00 4.14 H new ATOM 0 HG22 ILE A 50 -1.209 -5.613 -7.583 1.00 4.14 H new ATOM 0 HG23 ILE A 50 -2.443 -4.823 -8.593 1.00 4.14 H new ATOM 0 HD11 ILE A 50 -6.014 -4.789 -6.291 1.00 15.22 H new ATOM 0 HD12 ILE A 50 -4.752 -5.553 -5.295 1.00 15.22 H new ATOM 0 HD13 ILE A 50 -4.347 -4.170 -6.340 1.00 15.22 H new ATOM 735 N ASP A 51 -0.634 -7.240 -9.131 1.00 21.20 N ATOM 736 CA ASP A 51 0.808 -7.463 -9.068 1.00 22.45 C ATOM 737 C ASP A 51 1.398 -6.774 -7.823 1.00 23.00 C ATOM 738 O ASP A 51 1.588 -5.553 -7.800 1.00 41.10 O ATOM 739 CB ASP A 51 1.467 -6.921 -10.337 1.00 14.30 C ATOM 740 CG ASP A 51 2.888 -7.419 -10.519 1.00 4.13 C ATOM 741 OD1 ASP A 51 3.780 -7.005 -9.749 1.00 60.15 O ATOM 742 OD2 ASP A 51 3.118 -8.227 -11.441 1.00 73.34 O ATOM 0 H ASP A 51 -0.907 -6.450 -9.715 1.00 21.20 H new ATOM 0 HA ASP A 51 1.002 -8.533 -8.995 1.00 22.45 H new ATOM 0 HB2 ASP A 51 0.871 -7.211 -11.203 1.00 14.30 H new ATOM 0 HB3 ASP A 51 1.470 -5.832 -10.303 1.00 14.30 H new ATOM 747 N ALA A 52 1.669 -7.555 -6.784 1.00 41.42 N ATOM 748 CA ALA A 52 2.145 -7.006 -5.512 1.00 14.02 C ATOM 749 C ALA A 52 3.587 -6.492 -5.599 1.00 73.03 C ATOM 750 O ALA A 52 4.001 -5.657 -4.794 1.00 22.54 O ATOM 751 CB ALA A 52 2.023 -8.053 -4.410 1.00 43.11 C ATOM 0 H ALA A 52 1.569 -8.570 -6.793 1.00 41.42 H new ATOM 0 HA ALA A 52 1.514 -6.150 -5.273 1.00 14.02 H new ATOM 0 HB1 ALA A 52 2.380 -7.634 -3.469 1.00 43.11 H new ATOM 0 HB2 ALA A 52 0.979 -8.349 -4.303 1.00 43.11 H new ATOM 0 HB3 ALA A 52 2.623 -8.926 -4.669 1.00 43.11 H new ATOM 757 N ASP A 53 4.346 -6.981 -6.575 1.00 60.34 N ATOM 758 CA ASP A 53 5.744 -6.584 -6.723 1.00 13.12 C ATOM 759 C ASP A 53 5.842 -5.111 -7.150 1.00 12.23 C ATOM 760 O ASP A 53 6.653 -4.350 -6.616 1.00 24.32 O ATOM 761 CB ASP A 53 6.449 -7.495 -7.736 1.00 51.30 C ATOM 762 CG ASP A 53 7.960 -7.374 -7.660 1.00 33.51 C ATOM 763 OD1 ASP A 53 8.554 -7.940 -6.715 1.00 5.33 O ATOM 764 OD2 ASP A 53 8.562 -6.719 -8.537 1.00 11.34 O ATOM 0 H ASP A 53 4.019 -7.650 -7.273 1.00 60.34 H new ATOM 0 HA ASP A 53 6.243 -6.691 -5.760 1.00 13.12 H new ATOM 0 HB2 ASP A 53 6.159 -8.530 -7.555 1.00 51.30 H new ATOM 0 HB3 ASP A 53 6.116 -7.243 -8.743 1.00 51.30 H new ATOM 769 N LYS A 54 4.991 -4.712 -8.094 1.00 0.45 N ATOM 770 CA LYS A 54 4.923 -3.314 -8.535 1.00 25.25 C ATOM 771 C LYS A 54 4.402 -2.406 -7.409 1.00 44.41 C ATOM 772 O LYS A 54 4.979 -1.353 -7.129 1.00 43.03 O ATOM 773 CB LYS A 54 4.015 -3.183 -9.766 1.00 63.42 C ATOM 774 CG LYS A 54 4.460 -4.020 -10.960 1.00 12.31 C ATOM 775 CD LYS A 54 3.504 -3.863 -12.138 1.00 61.23 C ATOM 776 CE LYS A 54 3.856 -4.802 -13.288 1.00 1.04 C ATOM 777 NZ LYS A 54 2.910 -4.661 -14.429 1.00 3.51 N ATOM 0 H LYS A 54 4.338 -5.335 -8.570 1.00 0.45 H new ATOM 0 HA LYS A 54 5.932 -2.998 -8.799 1.00 25.25 H new ATOM 0 HB2 LYS A 54 3.002 -3.474 -9.489 1.00 63.42 H new ATOM 0 HB3 LYS A 54 3.975 -2.136 -10.065 1.00 63.42 H new ATOM 0 HG2 LYS A 54 5.464 -3.721 -11.262 1.00 12.31 H new ATOM 0 HG3 LYS A 54 4.514 -5.070 -10.671 1.00 12.31 H new ATOM 0 HD2 LYS A 54 2.485 -4.061 -11.807 1.00 61.23 H new ATOM 0 HD3 LYS A 54 3.529 -2.832 -12.491 1.00 61.23 H new ATOM 0 HE2 LYS A 54 4.870 -4.594 -13.629 1.00 1.04 H new ATOM 0 HE3 LYS A 54 3.845 -5.832 -12.932 1.00 1.04 H new ATOM 0 HZ1 LYS A 54 3.183 -5.316 -15.190 1.00 3.51 H new ATOM 0 HZ2 LYS A 54 1.946 -4.884 -14.110 1.00 3.51 H new ATOM 0 HZ3 LYS A 54 2.939 -3.684 -14.786 1.00 3.51 H new ATOM 791 N LEU A 55 3.317 -2.836 -6.758 1.00 53.41 N ATOM 792 CA LEU A 55 2.689 -2.062 -5.678 1.00 50.41 C ATOM 793 C LEU A 55 3.680 -1.738 -4.549 1.00 33.24 C ATOM 794 O LEU A 55 3.866 -0.576 -4.184 1.00 44.45 O ATOM 795 CB LEU A 55 1.482 -2.836 -5.121 1.00 23.42 C ATOM 796 CG LEU A 55 0.832 -2.254 -3.850 1.00 62.15 C ATOM 797 CD1 LEU A 55 0.427 -0.795 -4.050 1.00 23.14 C ATOM 798 CD2 LEU A 55 -0.374 -3.095 -3.438 1.00 3.45 C ATOM 0 H LEU A 55 2.852 -3.721 -6.960 1.00 53.41 H new ATOM 0 HA LEU A 55 2.356 -1.113 -6.097 1.00 50.41 H new ATOM 0 HB2 LEU A 55 0.722 -2.893 -5.900 1.00 23.42 H new ATOM 0 HB3 LEU A 55 1.798 -3.857 -4.908 1.00 23.42 H new ATOM 0 HG LEU A 55 1.571 -2.285 -3.050 1.00 62.15 H new ATOM 0 HD11 LEU A 55 -0.028 -0.415 -3.135 1.00 23.14 H new ATOM 0 HD12 LEU A 55 1.310 -0.202 -4.290 1.00 23.14 H new ATOM 0 HD13 LEU A 55 -0.290 -0.725 -4.868 1.00 23.14 H new ATOM 0 HD21 LEU A 55 -0.823 -2.672 -2.539 1.00 3.45 H new ATOM 0 HD22 LEU A 55 -1.108 -3.097 -4.244 1.00 3.45 H new ATOM 0 HD23 LEU A 55 -0.053 -4.117 -3.237 1.00 3.45 H new ATOM 810 N VAL A 56 4.314 -2.773 -4.002 1.00 63.04 N ATOM 811 CA VAL A 56 5.270 -2.604 -2.903 1.00 0.52 C ATOM 812 C VAL A 56 6.405 -1.637 -3.271 1.00 32.54 C ATOM 813 O VAL A 56 6.804 -0.792 -2.467 1.00 44.21 O ATOM 814 CB VAL A 56 5.866 -3.965 -2.475 1.00 24.53 C ATOM 815 CG1 VAL A 56 6.949 -3.784 -1.415 1.00 23.31 C ATOM 816 CG2 VAL A 56 4.765 -4.883 -1.961 1.00 33.31 C ATOM 0 H VAL A 56 4.185 -3.740 -4.300 1.00 63.04 H new ATOM 0 HA VAL A 56 4.716 -2.175 -2.068 1.00 0.52 H new ATOM 0 HB VAL A 56 6.328 -4.424 -3.349 1.00 24.53 H new ATOM 0 HG11 VAL A 56 7.349 -4.758 -1.134 1.00 23.31 H new ATOM 0 HG12 VAL A 56 7.751 -3.164 -1.816 1.00 23.31 H new ATOM 0 HG13 VAL A 56 6.521 -3.300 -0.537 1.00 23.31 H new ATOM 0 HG21 VAL A 56 5.197 -5.838 -1.663 1.00 33.31 H new ATOM 0 HG22 VAL A 56 4.278 -4.421 -1.102 1.00 33.31 H new ATOM 0 HG23 VAL A 56 4.031 -5.048 -2.750 1.00 33.31 H new ATOM 826 N LYS A 57 6.914 -1.753 -4.492 1.00 31.35 N ATOM 827 CA LYS A 57 7.998 -0.887 -4.953 1.00 31.53 C ATOM 828 C LYS A 57 7.533 0.568 -5.117 1.00 41.40 C ATOM 829 O LYS A 57 8.279 1.496 -4.800 1.00 51.43 O ATOM 830 CB LYS A 57 8.593 -1.441 -6.250 1.00 43.14 C ATOM 831 CG LYS A 57 9.309 -2.772 -6.032 1.00 72.45 C ATOM 832 CD LYS A 57 9.821 -3.388 -7.328 1.00 11.25 C ATOM 833 CE LYS A 57 10.558 -4.697 -7.058 1.00 55.21 C ATOM 834 NZ LYS A 57 10.998 -5.359 -8.310 1.00 72.20 N ATOM 0 H LYS A 57 6.596 -2.435 -5.180 1.00 31.35 H new ATOM 0 HA LYS A 57 8.779 -0.878 -4.192 1.00 31.53 H new ATOM 0 HB2 LYS A 57 7.799 -1.573 -6.985 1.00 43.14 H new ATOM 0 HB3 LYS A 57 9.294 -0.717 -6.665 1.00 43.14 H new ATOM 0 HG2 LYS A 57 10.147 -2.621 -5.351 1.00 72.45 H new ATOM 0 HG3 LYS A 57 8.627 -3.471 -5.548 1.00 72.45 H new ATOM 0 HD2 LYS A 57 8.985 -3.570 -8.003 1.00 11.25 H new ATOM 0 HD3 LYS A 57 10.489 -2.687 -7.829 1.00 11.25 H new ATOM 0 HE2 LYS A 57 11.426 -4.501 -6.428 1.00 55.21 H new ATOM 0 HE3 LYS A 57 9.907 -5.371 -6.502 1.00 55.21 H new ATOM 0 HZ1 LYS A 57 11.847 -5.930 -8.121 1.00 72.20 H new ATOM 0 HZ2 LYS A 57 10.238 -5.975 -8.663 1.00 72.20 H new ATOM 0 HZ3 LYS A 57 11.218 -4.637 -9.025 1.00 72.20 H new ATOM 848 N GLU A 58 6.297 0.767 -5.583 1.00 64.02 N ATOM 849 CA GLU A 58 5.703 2.113 -5.622 1.00 14.44 C ATOM 850 C GLU A 58 5.629 2.715 -4.210 1.00 5.40 C ATOM 851 O GLU A 58 5.927 3.894 -4.007 1.00 25.53 O ATOM 852 CB GLU A 58 4.298 2.087 -6.250 1.00 64.01 C ATOM 853 CG GLU A 58 4.288 1.826 -7.751 1.00 5.22 C ATOM 854 CD GLU A 58 2.986 2.260 -8.408 1.00 44.52 C ATOM 855 OE1 GLU A 58 1.990 1.516 -8.323 1.00 24.13 O ATOM 856 OE2 GLU A 58 2.955 3.355 -9.013 1.00 44.15 O ATOM 0 H GLU A 58 5.692 0.025 -5.935 1.00 64.02 H new ATOM 0 HA GLU A 58 6.347 2.736 -6.243 1.00 14.44 H new ATOM 0 HB2 GLU A 58 3.706 1.317 -5.755 1.00 64.01 H new ATOM 0 HB3 GLU A 58 3.808 3.041 -6.055 1.00 64.01 H new ATOM 0 HG2 GLU A 58 5.120 2.356 -8.215 1.00 5.22 H new ATOM 0 HG3 GLU A 58 4.447 0.763 -7.933 1.00 5.22 H new ATOM 863 N LEU A 59 5.228 1.892 -3.236 1.00 23.34 N ATOM 864 CA LEU A 59 5.177 2.309 -1.831 1.00 5.52 C ATOM 865 C LEU A 59 6.559 2.767 -1.331 1.00 51.13 C ATOM 866 O LEU A 59 6.699 3.865 -0.793 1.00 74.44 O ATOM 867 CB LEU A 59 4.643 1.157 -0.962 1.00 31.45 C ATOM 868 CG LEU A 59 3.207 0.704 -1.291 1.00 12.51 C ATOM 869 CD1 LEU A 59 2.835 -0.556 -0.510 1.00 60.11 C ATOM 870 CD2 LEU A 59 2.210 1.830 -1.015 1.00 72.14 C ATOM 0 H LEU A 59 4.933 0.929 -3.396 1.00 23.34 H new ATOM 0 HA LEU A 59 4.500 3.160 -1.752 1.00 5.52 H new ATOM 0 HB2 LEU A 59 5.311 0.302 -1.068 1.00 31.45 H new ATOM 0 HB3 LEU A 59 4.681 1.463 0.083 1.00 31.45 H new ATOM 0 HG LEU A 59 3.164 0.462 -2.353 1.00 12.51 H new ATOM 0 HD11 LEU A 59 1.817 -0.853 -0.762 1.00 60.11 H new ATOM 0 HD12 LEU A 59 3.522 -1.361 -0.770 1.00 60.11 H new ATOM 0 HD13 LEU A 59 2.900 -0.354 0.559 1.00 60.11 H new ATOM 0 HD21 LEU A 59 1.202 1.490 -1.254 1.00 72.14 H new ATOM 0 HD22 LEU A 59 2.259 2.110 0.037 1.00 72.14 H new ATOM 0 HD23 LEU A 59 2.457 2.694 -1.632 1.00 72.14 H new ATOM 882 N ASN A 60 7.579 1.924 -1.524 1.00 74.22 N ATOM 883 CA ASN A 60 8.959 2.268 -1.139 1.00 64.35 C ATOM 884 C ASN A 60 9.405 3.601 -1.763 1.00 22.12 C ATOM 885 O ASN A 60 9.781 4.536 -1.050 1.00 53.30 O ATOM 886 CB ASN A 60 9.939 1.160 -1.555 1.00 5.03 C ATOM 887 CG ASN A 60 9.878 -0.051 -0.645 1.00 23.13 C ATOM 888 OD1 ASN A 60 10.552 -0.103 0.374 1.00 51.23 O ATOM 889 ND2 ASN A 60 9.087 -1.040 -1.003 1.00 15.45 N ATOM 0 H ASN A 60 7.479 1.000 -1.943 1.00 74.22 H new ATOM 0 HA ASN A 60 8.969 2.370 -0.054 1.00 64.35 H new ATOM 0 HB2 ASN A 60 9.719 0.852 -2.577 1.00 5.03 H new ATOM 0 HB3 ASN A 60 10.953 1.559 -1.553 1.00 5.03 H new ATOM 0 HD21 ASN A 60 9.025 -1.878 -0.425 1.00 15.45 H new ATOM 0 HD22 ASN A 60 8.536 -0.969 -1.859 1.00 15.45 H new ATOM 896 N GLU A 61 9.348 3.677 -3.091 1.00 21.11 N ATOM 897 CA GLU A 61 9.748 4.883 -3.831 1.00 3.42 C ATOM 898 C GLU A 61 9.040 6.139 -3.300 1.00 33.54 C ATOM 899 O GLU A 61 9.651 7.200 -3.176 1.00 71.13 O ATOM 900 CB GLU A 61 9.456 4.700 -5.327 1.00 44.31 C ATOM 901 CG GLU A 61 10.311 3.624 -5.987 1.00 52.42 C ATOM 902 CD GLU A 61 9.910 3.347 -7.427 1.00 21.14 C ATOM 903 OE1 GLU A 61 10.000 4.269 -8.264 1.00 61.23 O ATOM 904 OE2 GLU A 61 9.512 2.202 -7.735 1.00 14.31 O ATOM 0 H GLU A 61 9.026 2.913 -3.685 1.00 21.11 H new ATOM 0 HA GLU A 61 10.819 5.024 -3.685 1.00 3.42 H new ATOM 0 HB2 GLU A 61 8.404 4.446 -5.455 1.00 44.31 H new ATOM 0 HB3 GLU A 61 9.620 5.648 -5.840 1.00 44.31 H new ATOM 0 HG2 GLU A 61 11.357 3.931 -5.959 1.00 52.42 H new ATOM 0 HG3 GLU A 61 10.234 2.702 -5.410 1.00 52.42 H new ATOM 911 N TYR A 62 7.752 6.009 -2.986 1.00 70.51 N ATOM 912 CA TYR A 62 6.975 7.109 -2.398 1.00 11.30 C ATOM 913 C TYR A 62 7.619 7.629 -1.098 1.00 32.21 C ATOM 914 O TYR A 62 7.799 8.837 -0.919 1.00 74.51 O ATOM 915 CB TYR A 62 5.538 6.641 -2.127 1.00 71.55 C ATOM 916 CG TYR A 62 4.665 7.669 -1.428 1.00 12.42 C ATOM 917 CD1 TYR A 62 4.142 8.756 -2.121 1.00 20.02 C ATOM 918 CD2 TYR A 62 4.361 7.548 -0.075 1.00 53.53 C ATOM 919 CE1 TYR A 62 3.344 9.688 -1.488 1.00 31.30 C ATOM 920 CE2 TYR A 62 3.561 8.476 0.563 1.00 42.24 C ATOM 921 CZ TYR A 62 3.056 9.542 -0.148 1.00 55.04 C ATOM 922 OH TYR A 62 2.257 10.471 0.485 1.00 34.33 O ATOM 0 H TYR A 62 7.219 5.151 -3.128 1.00 70.51 H new ATOM 0 HA TYR A 62 6.963 7.933 -3.111 1.00 11.30 H new ATOM 0 HB2 TYR A 62 5.072 6.371 -3.075 1.00 71.55 H new ATOM 0 HB3 TYR A 62 5.572 5.737 -1.519 1.00 71.55 H new ATOM 0 HD1 TYR A 62 4.364 8.873 -3.171 1.00 20.02 H new ATOM 0 HD2 TYR A 62 4.757 6.714 0.486 1.00 53.53 H new ATOM 0 HE1 TYR A 62 2.947 10.527 -2.040 1.00 31.30 H new ATOM 0 HE2 TYR A 62 3.333 8.366 1.613 1.00 42.24 H new ATOM 0 HH TYR A 62 2.098 10.189 1.410 1.00 34.33 H new ATOM 932 N PHE A 63 7.971 6.714 -0.198 1.00 25.42 N ATOM 933 CA PHE A 63 8.606 7.089 1.070 1.00 42.51 C ATOM 934 C PHE A 63 9.985 7.728 0.842 1.00 24.31 C ATOM 935 O PHE A 63 10.361 8.677 1.537 1.00 34.30 O ATOM 936 CB PHE A 63 8.731 5.873 1.998 1.00 64.40 C ATOM 937 CG PHE A 63 7.405 5.377 2.521 1.00 43.33 C ATOM 938 CD1 PHE A 63 6.661 6.151 3.401 1.00 31.45 C ATOM 939 CD2 PHE A 63 6.903 4.141 2.138 1.00 2.22 C ATOM 940 CE1 PHE A 63 5.448 5.703 3.884 1.00 63.24 C ATOM 941 CE2 PHE A 63 5.687 3.692 2.620 1.00 44.35 C ATOM 942 CZ PHE A 63 4.961 4.474 3.493 1.00 11.41 C ATOM 0 H PHE A 63 7.830 5.711 -0.319 1.00 25.42 H new ATOM 0 HA PHE A 63 7.966 7.830 1.549 1.00 42.51 H new ATOM 0 HB2 PHE A 63 9.226 5.064 1.460 1.00 64.40 H new ATOM 0 HB3 PHE A 63 9.371 6.133 2.841 1.00 64.40 H new ATOM 0 HD1 PHE A 63 7.036 7.115 3.711 1.00 31.45 H new ATOM 0 HD2 PHE A 63 7.468 3.523 1.456 1.00 2.22 H new ATOM 0 HE1 PHE A 63 4.880 6.316 4.569 1.00 63.24 H new ATOM 0 HE2 PHE A 63 5.306 2.729 2.313 1.00 44.35 H new ATOM 0 HZ PHE A 63 4.011 4.124 3.870 1.00 11.41 H new ATOM 952 N GLU A 64 10.733 7.205 -0.128 1.00 55.40 N ATOM 953 CA GLU A 64 12.038 7.771 -0.482 1.00 61.05 C ATOM 954 C GLU A 64 11.893 9.206 -1.017 1.00 20.34 C ATOM 955 O GLU A 64 12.687 10.087 -0.684 1.00 31.15 O ATOM 956 CB GLU A 64 12.748 6.883 -1.515 1.00 3.54 C ATOM 957 CG GLU A 64 12.867 5.427 -1.074 1.00 41.14 C ATOM 958 CD GLU A 64 13.738 4.584 -1.994 1.00 35.22 C ATOM 959 OE1 GLU A 64 13.237 4.100 -3.029 1.00 70.02 O ATOM 960 OE2 GLU A 64 14.927 4.376 -1.669 1.00 52.12 O ATOM 0 H GLU A 64 10.461 6.393 -0.682 1.00 55.40 H new ATOM 0 HA GLU A 64 12.645 7.807 0.423 1.00 61.05 H new ATOM 0 HB2 GLU A 64 12.203 6.927 -2.458 1.00 3.54 H new ATOM 0 HB3 GLU A 64 13.745 7.282 -1.704 1.00 3.54 H new ATOM 0 HG2 GLU A 64 13.279 5.394 -0.065 1.00 41.14 H new ATOM 0 HG3 GLU A 64 11.871 4.987 -1.026 1.00 41.14 H new ATOM 967 N LYS A 65 10.863 9.437 -1.836 1.00 65.53 N ATOM 968 CA LYS A 65 10.557 10.784 -2.345 1.00 21.22 C ATOM 969 C LYS A 65 10.351 11.782 -1.193 1.00 73.03 C ATOM 970 O LYS A 65 10.817 12.920 -1.251 1.00 55.34 O ATOM 971 CB LYS A 65 9.310 10.750 -3.244 1.00 51.21 C ATOM 972 CG LYS A 65 9.498 9.953 -4.533 1.00 31.42 C ATOM 973 CD LYS A 65 10.524 10.597 -5.462 1.00 73.24 C ATOM 974 CE LYS A 65 10.778 9.742 -6.701 1.00 15.05 C ATOM 975 NZ LYS A 65 9.531 9.470 -7.463 1.00 30.00 N ATOM 0 H LYS A 65 10.225 8.711 -2.163 1.00 65.53 H new ATOM 0 HA LYS A 65 11.410 11.118 -2.936 1.00 21.22 H new ATOM 0 HB2 LYS A 65 8.480 10.322 -2.682 1.00 51.21 H new ATOM 0 HB3 LYS A 65 9.029 11.772 -3.498 1.00 51.21 H new ATOM 0 HG2 LYS A 65 9.816 8.940 -4.289 1.00 31.42 H new ATOM 0 HG3 LYS A 65 8.542 9.871 -5.051 1.00 31.42 H new ATOM 0 HD2 LYS A 65 10.172 11.583 -5.766 1.00 73.24 H new ATOM 0 HD3 LYS A 65 11.460 10.745 -4.924 1.00 73.24 H new ATOM 0 HE2 LYS A 65 11.494 10.248 -7.349 1.00 15.05 H new ATOM 0 HE3 LYS A 65 11.232 8.797 -6.401 1.00 15.05 H new ATOM 0 HZ1 LYS A 65 9.769 9.020 -8.370 1.00 30.00 H new ATOM 0 HZ2 LYS A 65 8.919 8.835 -6.912 1.00 30.00 H new ATOM 0 HZ3 LYS A 65 9.031 10.364 -7.641 1.00 30.00 H new ATOM 989 N LYS A 66 9.653 11.339 -0.144 1.00 30.22 N ATOM 990 CA LYS A 66 9.461 12.155 1.063 1.00 34.00 C ATOM 991 C LYS A 66 10.808 12.581 1.667 1.00 74.35 C ATOM 992 O LYS A 66 11.033 13.758 1.943 1.00 51.04 O ATOM 993 CB LYS A 66 8.660 11.381 2.122 1.00 73.41 C ATOM 994 CG LYS A 66 7.218 11.067 1.726 1.00 33.00 C ATOM 995 CD LYS A 66 6.486 10.305 2.833 1.00 34.24 C ATOM 996 CE LYS A 66 6.505 11.066 4.158 1.00 22.23 C ATOM 997 NZ LYS A 66 5.811 10.323 5.245 1.00 64.43 N ATOM 0 H LYS A 66 9.211 10.421 -0.104 1.00 30.22 H new ATOM 0 HA LYS A 66 8.907 13.046 0.766 1.00 34.00 H new ATOM 0 HB2 LYS A 66 9.176 10.445 2.336 1.00 73.41 H new ATOM 0 HB3 LYS A 66 8.651 11.959 3.046 1.00 73.41 H new ATOM 0 HG2 LYS A 66 6.689 11.995 1.510 1.00 33.00 H new ATOM 0 HG3 LYS A 66 7.211 10.476 0.810 1.00 33.00 H new ATOM 0 HD2 LYS A 66 5.454 10.129 2.531 1.00 34.24 H new ATOM 0 HD3 LYS A 66 6.950 9.328 2.969 1.00 34.24 H new ATOM 0 HE2 LYS A 66 7.538 11.255 4.452 1.00 22.23 H new ATOM 0 HE3 LYS A 66 6.029 12.037 4.024 1.00 22.23 H new ATOM 0 HZ1 LYS A 66 6.007 10.781 6.158 1.00 64.43 H new ATOM 0 HZ2 LYS A 66 4.786 10.327 5.069 1.00 64.43 H new ATOM 0 HZ3 LYS A 66 6.155 9.342 5.269 1.00 64.43 H new ATOM 1011 N GLU A 67 11.703 11.607 1.858 1.00 54.24 N ATOM 1012 CA GLU A 67 13.024 11.862 2.453 1.00 24.22 C ATOM 1013 C GLU A 67 13.843 12.860 1.617 1.00 73.22 C ATOM 1014 O GLU A 67 14.693 13.580 2.147 1.00 11.42 O ATOM 1015 CB GLU A 67 13.807 10.550 2.592 1.00 14.21 C ATOM 1016 CG GLU A 67 13.102 9.490 3.431 1.00 60.31 C ATOM 1017 CD GLU A 67 13.902 8.199 3.530 1.00 44.11 C ATOM 1018 OE1 GLU A 67 13.895 7.414 2.558 1.00 74.43 O ATOM 1019 OE2 GLU A 67 14.552 7.970 4.573 1.00 63.31 O ATOM 0 H GLU A 67 11.539 10.632 1.609 1.00 54.24 H new ATOM 0 HA GLU A 67 12.858 12.298 3.438 1.00 24.22 H new ATOM 0 HB2 GLU A 67 13.995 10.145 1.598 1.00 14.21 H new ATOM 0 HB3 GLU A 67 14.778 10.764 3.038 1.00 14.21 H new ATOM 0 HG2 GLU A 67 12.925 9.882 4.433 1.00 60.31 H new ATOM 0 HG3 GLU A 67 12.126 9.276 2.996 1.00 60.31 H new ATOM 1026 N VAL A 68 13.597 12.881 0.309 1.00 20.41 N ATOM 1027 CA VAL A 68 14.273 13.817 -0.595 1.00 20.12 C ATOM 1028 C VAL A 68 13.730 15.246 -0.435 1.00 25.43 C ATOM 1029 O VAL A 68 14.487 16.189 -0.198 1.00 61.14 O ATOM 1030 CB VAL A 68 14.114 13.379 -2.074 1.00 22.14 C ATOM 1031 CG1 VAL A 68 14.814 14.360 -3.012 1.00 40.44 C ATOM 1032 CG2 VAL A 68 14.641 11.960 -2.280 1.00 0.35 C ATOM 0 H VAL A 68 12.933 12.260 -0.153 1.00 20.41 H new ATOM 0 HA VAL A 68 15.329 13.807 -0.326 1.00 20.12 H new ATOM 0 HB VAL A 68 13.051 13.384 -2.314 1.00 22.14 H new ATOM 0 HG11 VAL A 68 14.688 14.030 -4.043 1.00 40.44 H new ATOM 0 HG12 VAL A 68 14.378 15.352 -2.892 1.00 40.44 H new ATOM 0 HG13 VAL A 68 15.876 14.399 -2.771 1.00 40.44 H new ATOM 0 HG21 VAL A 68 14.519 11.675 -3.325 1.00 0.35 H new ATOM 0 HG22 VAL A 68 15.698 11.922 -2.015 1.00 0.35 H new ATOM 0 HG23 VAL A 68 14.083 11.269 -1.648 1.00 0.35 H new ATOM 1042 N LEU A 69 12.416 15.395 -0.566 1.00 32.41 N ATOM 1043 CA LEU A 69 11.760 16.707 -0.501 1.00 40.41 C ATOM 1044 C LEU A 69 11.757 17.295 0.924 1.00 0.11 C ATOM 1045 O LEU A 69 12.237 18.408 1.153 1.00 72.44 O ATOM 1046 CB LEU A 69 10.320 16.570 -1.004 1.00 71.01 C ATOM 1047 CG LEU A 69 10.178 15.996 -2.422 1.00 34.12 C ATOM 1048 CD1 LEU A 69 8.713 15.746 -2.758 1.00 34.00 C ATOM 1049 CD2 LEU A 69 10.823 16.928 -3.446 1.00 3.53 C ATOM 0 H LEU A 69 11.774 14.617 -0.720 1.00 32.41 H new ATOM 0 HA LEU A 69 12.326 17.394 -1.131 1.00 40.41 H new ATOM 0 HB2 LEU A 69 9.769 15.931 -0.313 1.00 71.01 H new ATOM 0 HB3 LEU A 69 9.847 17.552 -0.977 1.00 71.01 H new ATOM 0 HG LEU A 69 10.699 15.040 -2.459 1.00 34.12 H new ATOM 0 HD11 LEU A 69 8.635 15.340 -3.766 1.00 34.00 H new ATOM 0 HD12 LEU A 69 8.293 15.035 -2.047 1.00 34.00 H new ATOM 0 HD13 LEU A 69 8.161 16.684 -2.701 1.00 34.00 H new ATOM 0 HD21 LEU A 69 10.712 16.504 -4.444 1.00 3.53 H new ATOM 0 HD22 LEU A 69 10.336 17.902 -3.409 1.00 3.53 H new ATOM 0 HD23 LEU A 69 11.882 17.043 -3.216 1.00 3.53 H new ATOM 1061 N GLU A 70 11.195 16.544 1.868 1.00 14.50 N ATOM 1062 CA GLU A 70 11.042 16.998 3.258 1.00 23.32 C ATOM 1063 C GLU A 70 12.368 16.946 4.047 1.00 11.20 C ATOM 1064 O GLU A 70 13.134 17.937 4.008 1.00 38.96 O ATOM 1065 CB GLU A 70 9.976 16.136 3.946 1.00 23.54 C ATOM 1066 CG GLU A 70 8.712 15.968 3.114 1.00 73.43 C ATOM 1067 CD GLU A 70 7.625 15.186 3.833 1.00 52.43 C ATOM 1068 OE1 GLU A 70 7.304 15.530 4.990 1.00 24.15 O ATOM 1069 OE2 GLU A 70 7.071 14.241 3.235 1.00 64.14 O ATOM 0 H GLU A 70 10.832 15.606 1.697 1.00 14.50 H new ATOM 0 HA GLU A 70 10.732 18.043 3.242 1.00 23.32 H new ATOM 0 HB2 GLU A 70 10.396 15.153 4.160 1.00 23.54 H new ATOM 0 HB3 GLU A 70 9.716 16.587 4.904 1.00 23.54 H new ATOM 0 HG2 GLU A 70 8.327 16.952 2.846 1.00 73.43 H new ATOM 0 HG3 GLU A 70 8.962 15.459 2.183 1.00 73.43 H new TER 1076 GLU A 70