USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 801 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 78 MET CE :methyl 170:sc= 0 (180deg=-0.036) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -178:sc= 0.671 (180deg=0.079) USER MOD Set 1.3: A 88 THR OG1 : rot 144:sc= 0.543 USER MOD Single : A 7 ASN : amide:sc= -0.672 K(o=-0.67,f=-4.3!) USER MOD Single : A 10 THR OG1 : rot -0:sc= 1.48 USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= 0.52 (180deg=0.431) USER MOD Single : A 13 ASN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 18 SER OG : rot -103:sc= 1.15 USER MOD Single : A 19 SER OG : rot 180:sc= 0.2 USER MOD Single : A 48 TYR OH : rot 161:sc= 1.19 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0873) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.211) USER MOD Single : A 54 CYS SG : rot 160:sc= -1.37 USER MOD Single : A 56 LYS NZ :NH3+ 153:sc=-0.00433 (180deg=-0.758) USER MOD Single : A 58 ASN : amide:sc= 0.477 K(o=0.48,f=-8.6!) USER MOD Single : A 59 THR OG1 : rot 85:sc= 1 USER MOD Single : A 62 SER OG : rot -60:sc= 0.423 USER MOD Single : A 64 ASN : amide:sc= 1.23 K(o=1.2,f=-4.1!) USER MOD Single : A 67 SER OG : rot 71:sc= 1.1 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.11 USER MOD Single : A 76 THR OG1 : rot 24:sc= 1.01 USER MOD Single : A 81 LYS NZ :NH3+ 179:sc= 0.96 (180deg=0.958) USER MOD Single : A 84 LYS NZ :NH3+ -170:sc= 0.612 (180deg=0.49) USER MOD Single : A 86 CYS SG : rot -129:sc= -0.158 USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 1.85 (180deg=1.85) USER MOD Single : A 97 THR OG1 : rot -160:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.699 K(o=0.7,f=0) USER MOD Single : A 101 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 104 LYS NZ :NH3+ 151:sc= -0.215 (180deg=-0.837) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N ALA A 3 -3.558 -0.058 -9.550 1.00 0.00 N ATOM 36 CA ALA A 3 -2.274 -0.323 -8.917 1.00 0.00 C ATOM 37 C ALA A 3 -1.128 0.438 -9.585 1.00 0.00 C ATOM 38 O ALA A 3 -1.106 0.572 -10.806 1.00 0.00 O ATOM 39 CB ALA A 3 -1.961 -1.816 -9.000 1.00 0.00 C ATOM 0 HA ALA A 3 -2.355 0.010 -7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.000 -2.013 -8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.741 -2.380 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.919 -2.121 -10.045 1.00 0.00 H new ATOM 45 N GLY A 4 -0.165 0.901 -8.782 1.00 0.00 N ATOM 46 CA GLY A 4 1.080 1.510 -9.226 1.00 0.00 C ATOM 47 C GLY A 4 2.257 0.851 -8.496 1.00 0.00 C ATOM 48 O GLY A 4 2.063 -0.012 -7.639 1.00 0.00 O ATOM 0 H GLY A 4 -0.240 0.857 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.193 1.390 -10.303 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.066 2.581 -9.024 1.00 0.00 H new ATOM 52 N ALA A 5 3.485 1.259 -8.820 1.00 0.00 N ATOM 53 CA ALA A 5 4.710 0.789 -8.183 1.00 0.00 C ATOM 54 C ALA A 5 5.505 2.035 -7.816 1.00 0.00 C ATOM 55 O ALA A 5 5.467 3.000 -8.579 1.00 0.00 O ATOM 56 CB ALA A 5 5.491 -0.114 -9.140 1.00 0.00 C ATOM 0 H ALA A 5 3.657 1.946 -9.555 1.00 0.00 H new ATOM 0 HA ALA A 5 4.502 0.193 -7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.403 -0.458 -8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.878 -0.974 -9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.749 0.446 -10.039 1.00 0.00 H new ATOM 62 N VAL A 6 6.176 2.047 -6.659 1.00 0.00 N ATOM 63 CA VAL A 6 6.891 3.229 -6.194 1.00 0.00 C ATOM 64 C VAL A 6 8.214 2.885 -5.503 1.00 0.00 C ATOM 65 O VAL A 6 8.549 1.732 -5.225 1.00 0.00 O ATOM 66 CB VAL A 6 5.990 4.061 -5.247 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.872 4.791 -5.990 1.00 0.00 C ATOM 68 CG2 VAL A 6 5.376 3.230 -4.117 1.00 0.00 C ATOM 0 H VAL A 6 6.236 1.247 -6.030 1.00 0.00 H new ATOM 0 HA VAL A 6 7.138 3.820 -7.076 1.00 0.00 H new ATOM 0 HB VAL A 6 6.664 4.797 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.272 5.358 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.306 5.472 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.240 4.065 -6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.756 3.871 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.763 2.435 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.171 2.792 -3.514 1.00 0.00 H new ATOM 78 N ASN A 7 8.950 3.961 -5.235 1.00 0.00 N ATOM 79 CA ASN A 7 10.204 4.077 -4.513 1.00 0.00 C ATOM 80 C ASN A 7 10.143 5.440 -3.829 1.00 0.00 C ATOM 81 O ASN A 7 9.287 6.257 -4.164 1.00 0.00 O ATOM 82 CB ASN A 7 11.391 4.013 -5.493 1.00 0.00 C ATOM 83 CG ASN A 7 12.678 4.716 -5.047 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.802 5.931 -5.184 1.00 0.00 O ATOM 85 ND2 ASN A 7 13.638 3.982 -4.494 1.00 0.00 N ATOM 0 H ASN A 7 8.640 4.877 -5.559 1.00 0.00 H new ATOM 0 HA ASN A 7 10.344 3.269 -3.795 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.622 2.965 -5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.075 4.447 -6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.499 4.426 -4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.514 2.975 -4.390 1.00 0.00 H new ATOM 92 N ASP A 8 11.089 5.686 -2.932 1.00 0.00 N ATOM 93 CA ASP A 8 11.254 6.883 -2.115 1.00 0.00 C ATOM 94 C ASP A 8 10.923 8.162 -2.871 1.00 0.00 C ATOM 95 O ASP A 8 10.148 8.985 -2.397 1.00 0.00 O ATOM 96 CB ASP A 8 12.717 6.935 -1.656 1.00 0.00 C ATOM 97 CG ASP A 8 12.993 8.001 -0.601 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.023 8.481 0.023 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.195 8.301 -0.424 1.00 0.00 O ATOM 0 H ASP A 8 11.819 5.000 -2.741 1.00 0.00 H new ATOM 0 HA ASP A 8 10.563 6.824 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.998 5.960 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.353 7.120 -2.521 1.00 0.00 H new ATOM 104 N ASP A 9 11.507 8.315 -4.057 1.00 0.00 N ATOM 105 CA ASP A 9 11.263 9.480 -4.898 1.00 0.00 C ATOM 106 C ASP A 9 9.769 9.609 -5.220 1.00 0.00 C ATOM 107 O ASP A 9 9.077 10.502 -4.733 1.00 0.00 O ATOM 108 CB ASP A 9 12.084 9.350 -6.186 1.00 0.00 C ATOM 109 CG ASP A 9 11.718 10.449 -7.177 1.00 0.00 C ATOM 110 OD1 ASP A 9 12.108 11.605 -6.911 1.00 0.00 O ATOM 111 OD2 ASP A 9 11.044 10.108 -8.173 1.00 0.00 O ATOM 0 H ASP A 9 12.158 7.640 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 9 11.568 10.381 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.147 9.405 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.908 8.374 -6.638 1.00 0.00 H new ATOM 116 N THR A 10 9.277 8.684 -6.042 1.00 0.00 N ATOM 117 CA THR A 10 7.904 8.654 -6.526 1.00 0.00 C ATOM 118 C THR A 10 6.881 8.712 -5.386 1.00 0.00 C ATOM 119 O THR A 10 5.856 9.372 -5.522 1.00 0.00 O ATOM 120 CB THR A 10 7.720 7.386 -7.370 1.00 0.00 C ATOM 121 OG1 THR A 10 8.218 6.266 -6.665 1.00 0.00 O ATOM 122 CG2 THR A 10 8.480 7.494 -8.695 1.00 0.00 C ATOM 0 H THR A 10 9.842 7.913 -6.398 1.00 0.00 H new ATOM 0 HA THR A 10 7.724 9.541 -7.134 1.00 0.00 H new ATOM 0 HB THR A 10 6.655 7.271 -7.572 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.574 6.556 -5.799 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.333 6.582 -9.274 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.106 8.347 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.543 7.629 -8.495 1.00 0.00 H new ATOM 130 N PHE A 11 7.165 8.028 -4.272 1.00 0.00 N ATOM 131 CA PHE A 11 6.340 7.925 -3.075 1.00 0.00 C ATOM 132 C PHE A 11 5.745 9.272 -2.690 1.00 0.00 C ATOM 133 O PHE A 11 4.562 9.400 -2.391 1.00 0.00 O ATOM 134 CB PHE A 11 7.222 7.425 -1.928 1.00 0.00 C ATOM 135 CG PHE A 11 6.494 7.111 -0.640 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.817 5.888 -0.491 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.556 8.014 0.437 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.188 5.580 0.727 1.00 0.00 C ATOM 139 CE2 PHE A 11 5.971 7.681 1.668 1.00 0.00 C ATOM 140 CZ PHE A 11 5.268 6.474 1.808 1.00 0.00 C ATOM 0 H PHE A 11 8.033 7.500 -4.182 1.00 0.00 H new ATOM 0 HA PHE A 11 5.518 7.237 -3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.744 6.527 -2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.982 8.178 -1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.780 5.186 -1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.054 8.964 0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.642 4.654 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.062 8.354 2.508 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.789 6.233 2.746 1.00 0.00 H new ATOM 150 N LYS A 12 6.592 10.289 -2.693 1.00 0.00 N ATOM 151 CA LYS A 12 6.196 11.643 -2.340 1.00 0.00 C ATOM 152 C LYS A 12 5.002 12.090 -3.195 1.00 0.00 C ATOM 153 O LYS A 12 3.947 12.450 -2.677 1.00 0.00 O ATOM 154 CB LYS A 12 7.404 12.582 -2.489 1.00 0.00 C ATOM 155 CG LYS A 12 8.671 12.082 -1.768 1.00 0.00 C ATOM 156 CD LYS A 12 8.525 11.922 -0.246 1.00 0.00 C ATOM 157 CE LYS A 12 9.494 10.877 0.321 1.00 0.00 C ATOM 158 NZ LYS A 12 10.890 11.123 -0.078 1.00 0.00 N ATOM 0 H LYS A 12 7.577 10.198 -2.941 1.00 0.00 H new ATOM 0 HA LYS A 12 5.871 11.677 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.626 12.708 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.139 13.565 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.960 11.121 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.485 12.778 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.705 12.882 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.501 11.632 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.426 10.876 1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.193 9.886 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.466 10.285 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.930 11.316 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.261 11.942 0.444 1.00 0.00 H new ATOM 172 N ASN A 13 5.155 12.021 -4.514 1.00 0.00 N ATOM 173 CA ASN A 13 4.135 12.437 -5.462 1.00 0.00 C ATOM 174 C ASN A 13 2.926 11.502 -5.431 1.00 0.00 C ATOM 175 O ASN A 13 1.789 11.938 -5.273 1.00 0.00 O ATOM 176 CB ASN A 13 4.734 12.451 -6.875 1.00 0.00 C ATOM 177 CG ASN A 13 5.959 13.349 -7.063 1.00 0.00 C ATOM 178 OD1 ASN A 13 6.742 13.124 -7.979 1.00 0.00 O ATOM 179 ND2 ASN A 13 6.164 14.363 -6.225 1.00 0.00 N ATOM 0 H ASN A 13 6.004 11.669 -4.957 1.00 0.00 H new ATOM 0 HA ASN A 13 3.797 13.435 -5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.008 11.431 -7.145 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.961 12.769 -7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.980 14.964 -6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.505 14.539 -5.467 1.00 0.00 H new ATOM 186 N VAL A 14 3.187 10.209 -5.608 1.00 0.00 N ATOM 187 CA VAL A 14 2.188 9.165 -5.763 1.00 0.00 C ATOM 188 C VAL A 14 1.404 8.897 -4.473 1.00 0.00 C ATOM 189 O VAL A 14 0.242 8.506 -4.551 1.00 0.00 O ATOM 190 CB VAL A 14 2.908 7.902 -6.277 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.970 6.695 -6.390 1.00 0.00 C ATOM 192 CG2 VAL A 14 3.514 8.158 -7.666 1.00 0.00 C ATOM 0 H VAL A 14 4.141 9.850 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 14 1.435 9.487 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 14 3.685 7.677 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.528 5.833 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.552 6.466 -5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.162 6.926 -7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.019 7.257 -8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.721 8.424 -8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.233 8.975 -7.604 1.00 0.00 H new ATOM 202 N VAL A 15 2.021 9.077 -3.302 1.00 0.00 N ATOM 203 CA VAL A 15 1.412 8.766 -2.014 1.00 0.00 C ATOM 204 C VAL A 15 1.192 10.036 -1.190 1.00 0.00 C ATOM 205 O VAL A 15 0.054 10.481 -1.054 1.00 0.00 O ATOM 206 CB VAL A 15 2.275 7.736 -1.254 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.507 7.195 -0.045 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.701 6.578 -2.165 1.00 0.00 C ATOM 0 H VAL A 15 2.968 9.447 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 15 0.431 8.323 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 15 3.177 8.244 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.125 6.469 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.259 8.017 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.590 6.713 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.307 5.872 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.815 6.071 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.284 6.967 -3.000 1.00 0.00 H new ATOM 218 N LEU A 16 2.266 10.634 -0.658 1.00 0.00 N ATOM 219 CA LEU A 16 2.156 11.754 0.276 1.00 0.00 C ATOM 220 C LEU A 16 1.310 12.908 -0.259 1.00 0.00 C ATOM 221 O LEU A 16 0.560 13.520 0.497 1.00 0.00 O ATOM 222 CB LEU A 16 3.535 12.297 0.660 1.00 0.00 C ATOM 223 CG LEU A 16 4.468 11.294 1.356 1.00 0.00 C ATOM 224 CD1 LEU A 16 5.639 12.077 1.957 1.00 0.00 C ATOM 225 CD2 LEU A 16 3.783 10.509 2.479 1.00 0.00 C ATOM 0 H LEU A 16 3.226 10.356 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 16 1.654 11.345 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.028 12.660 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.398 13.156 1.317 1.00 0.00 H new ATOM 0 HG LEU A 16 4.790 10.569 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.318 11.388 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.173 12.600 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.260 12.802 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.497 9.819 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.421 11.202 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.943 9.947 2.070 1.00 0.00 H new ATOM 237 N GLU A 17 1.466 13.238 -1.539 1.00 0.00 N ATOM 238 CA GLU A 17 0.741 14.315 -2.196 1.00 0.00 C ATOM 239 C GLU A 17 -0.544 13.824 -2.889 1.00 0.00 C ATOM 240 O GLU A 17 -1.120 14.566 -3.682 1.00 0.00 O ATOM 241 CB GLU A 17 1.693 14.957 -3.214 1.00 0.00 C ATOM 242 CG GLU A 17 2.932 15.583 -2.554 1.00 0.00 C ATOM 243 CD GLU A 17 3.916 16.092 -3.602 1.00 0.00 C ATOM 244 OE1 GLU A 17 3.718 17.239 -4.057 1.00 0.00 O ATOM 245 OE2 GLU A 17 4.843 15.323 -3.942 1.00 0.00 O ATOM 0 H GLU A 17 2.114 12.752 -2.159 1.00 0.00 H new ATOM 0 HA GLU A 17 0.419 15.039 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.012 14.203 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.157 15.724 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.627 16.406 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.422 14.844 -1.920 1.00 0.00 H new ATOM 252 N SER A 18 -1.012 12.600 -2.619 1.00 0.00 N ATOM 253 CA SER A 18 -2.193 12.067 -3.292 1.00 0.00 C ATOM 254 C SER A 18 -3.483 12.717 -2.782 1.00 0.00 C ATOM 255 O SER A 18 -3.638 12.973 -1.588 1.00 0.00 O ATOM 256 CB SER A 18 -2.264 10.551 -3.095 1.00 0.00 C ATOM 257 OG SER A 18 -3.283 9.999 -3.910 1.00 0.00 O ATOM 0 H SER A 18 -0.590 11.965 -1.941 1.00 0.00 H new ATOM 0 HA SER A 18 -2.101 12.298 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.304 10.099 -3.345 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.462 10.322 -2.048 1.00 0.00 H new ATOM 0 HG SER A 18 -4.067 9.793 -3.359 1.00 0.00 H new ATOM 263 N SER A 19 -4.430 12.938 -3.695 1.00 0.00 N ATOM 264 CA SER A 19 -5.740 13.495 -3.418 1.00 0.00 C ATOM 265 C SER A 19 -6.633 12.388 -2.858 1.00 0.00 C ATOM 266 O SER A 19 -7.089 12.448 -1.716 1.00 0.00 O ATOM 267 CB SER A 19 -6.293 14.037 -4.739 1.00 0.00 C ATOM 268 OG SER A 19 -6.039 13.087 -5.765 1.00 0.00 O ATOM 0 H SER A 19 -4.293 12.723 -4.683 1.00 0.00 H new ATOM 0 HA SER A 19 -5.695 14.300 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.364 14.222 -4.652 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.823 14.990 -4.982 1.00 0.00 H new ATOM 0 HG SER A 19 -6.391 13.423 -6.616 1.00 0.00 H new ATOM 274 N VAL A 20 -6.845 11.350 -3.669 1.00 0.00 N ATOM 275 CA VAL A 20 -7.646 10.194 -3.283 1.00 0.00 C ATOM 276 C VAL A 20 -6.792 9.308 -2.373 1.00 0.00 C ATOM 277 O VAL A 20 -5.561 9.383 -2.433 1.00 0.00 O ATOM 278 CB VAL A 20 -8.081 9.371 -4.514 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.280 10.002 -5.225 1.00 0.00 C ATOM 280 CG2 VAL A 20 -6.947 9.115 -5.518 1.00 0.00 C ATOM 0 H VAL A 20 -6.464 11.290 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.545 10.542 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.376 8.401 -4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.555 9.392 -6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.123 10.058 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.018 11.005 -5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.328 8.531 -6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.563 10.067 -5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.144 8.565 -5.027 1.00 0.00 H new ATOM 290 N PRO A 21 -7.412 8.493 -1.504 1.00 0.00 N ATOM 291 CA PRO A 21 -6.673 7.587 -0.655 1.00 0.00 C ATOM 292 C PRO A 21 -5.793 6.636 -1.445 1.00 0.00 C ATOM 293 O PRO A 21 -6.003 6.388 -2.632 1.00 0.00 O ATOM 294 CB PRO A 21 -7.690 6.794 0.149 1.00 0.00 C ATOM 295 CG PRO A 21 -8.893 7.728 0.187 1.00 0.00 C ATOM 296 CD PRO A 21 -8.821 8.481 -1.145 1.00 0.00 C ATOM 0 HA PRO A 21 -6.008 8.165 -0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.931 5.844 -0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.324 6.565 1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.826 7.173 0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.841 8.411 1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.418 7.984 -1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.210 9.494 -1.045 1.00 0.00 H new ATOM 304 N VAL A 22 -4.827 6.069 -0.735 1.00 0.00 N ATOM 305 CA VAL A 22 -3.801 5.219 -1.274 1.00 0.00 C ATOM 306 C VAL A 22 -3.527 4.073 -0.300 1.00 0.00 C ATOM 307 O VAL A 22 -3.547 4.274 0.914 1.00 0.00 O ATOM 308 CB VAL A 22 -2.544 6.078 -1.477 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.534 5.304 -2.298 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.816 7.420 -2.167 1.00 0.00 C ATOM 0 H VAL A 22 -4.743 6.201 0.273 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.108 4.785 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.163 6.304 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.641 5.912 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.267 4.386 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.966 5.057 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.881 7.970 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.248 7.242 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.513 8.004 -1.565 1.00 0.00 H new ATOM 320 N LEU A 23 -3.259 2.885 -0.842 1.00 0.00 N ATOM 321 CA LEU A 23 -2.901 1.670 -0.125 1.00 0.00 C ATOM 322 C LEU A 23 -1.522 1.257 -0.625 1.00 0.00 C ATOM 323 O LEU A 23 -1.423 0.718 -1.722 1.00 0.00 O ATOM 324 CB LEU A 23 -3.946 0.584 -0.422 1.00 0.00 C ATOM 325 CG LEU A 23 -3.807 -0.668 0.464 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.130 -1.440 0.456 1.00 0.00 C ATOM 327 CD2 LEU A 23 -2.695 -1.603 -0.030 1.00 0.00 C ATOM 0 H LEU A 23 -3.289 2.741 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.878 1.822 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.942 1.005 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.863 0.289 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.552 -0.333 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.037 -2.328 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.925 -0.804 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.371 -1.739 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.633 -2.472 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.918 -1.929 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.743 -1.073 -0.020 1.00 0.00 H new ATOM 339 N VAL A 24 -0.460 1.514 0.140 1.00 0.00 N ATOM 340 CA VAL A 24 0.889 1.144 -0.266 1.00 0.00 C ATOM 341 C VAL A 24 1.258 -0.173 0.404 1.00 0.00 C ATOM 342 O VAL A 24 1.148 -0.266 1.626 1.00 0.00 O ATOM 343 CB VAL A 24 1.902 2.224 0.148 1.00 0.00 C ATOM 344 CG1 VAL A 24 3.305 1.861 -0.363 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.520 3.601 -0.401 1.00 0.00 C ATOM 0 H VAL A 24 -0.513 1.979 1.046 1.00 0.00 H new ATOM 0 HA VAL A 24 0.916 1.043 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 24 1.897 2.268 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.013 2.634 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.611 0.905 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.288 1.787 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.261 4.336 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.487 3.562 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.540 3.886 -0.018 1.00 0.00 H new ATOM 355 N ASP A 25 1.704 -1.171 -0.368 1.00 0.00 N ATOM 356 CA ASP A 25 2.256 -2.399 0.181 1.00 0.00 C ATOM 357 C ASP A 25 3.774 -2.315 0.044 1.00 0.00 C ATOM 358 O ASP A 25 4.285 -2.076 -1.050 1.00 0.00 O ATOM 359 CB ASP A 25 1.732 -3.649 -0.534 1.00 0.00 C ATOM 360 CG ASP A 25 2.401 -4.908 0.031 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.515 -4.994 1.275 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.799 -5.760 -0.793 1.00 0.00 O ATOM 0 H ASP A 25 1.689 -1.143 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 25 1.951 -2.493 1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.651 -3.719 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.929 -3.574 -1.603 1.00 0.00 H new ATOM 367 N PHE A 26 4.506 -2.473 1.142 1.00 0.00 N ATOM 368 CA PHE A 26 5.957 -2.505 1.114 1.00 0.00 C ATOM 369 C PHE A 26 6.299 -3.913 0.663 1.00 0.00 C ATOM 370 O PHE A 26 6.099 -4.853 1.435 1.00 0.00 O ATOM 371 CB PHE A 26 6.535 -2.197 2.503 1.00 0.00 C ATOM 372 CG PHE A 26 6.466 -0.746 2.952 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.244 -0.043 2.973 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.639 -0.103 3.395 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.208 1.302 3.371 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.588 1.223 3.854 1.00 0.00 C ATOM 377 CZ PHE A 26 6.374 1.931 3.834 1.00 0.00 C ATOM 0 H PHE A 26 4.107 -2.582 2.074 1.00 0.00 H new ATOM 0 HA PHE A 26 6.381 -1.754 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.009 -2.808 3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.579 -2.511 2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.332 -0.542 2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.581 -0.632 3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.281 1.854 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.484 1.700 4.223 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.339 2.956 4.174 1.00 0.00 H new ATOM 387 N TRP A 27 6.755 -4.055 -0.584 1.00 0.00 N ATOM 388 CA TRP A 27 7.035 -5.369 -1.155 1.00 0.00 C ATOM 389 C TRP A 27 8.499 -5.515 -1.535 1.00 0.00 C ATOM 390 O TRP A 27 9.332 -4.637 -1.328 1.00 0.00 O ATOM 391 CB TRP A 27 6.152 -5.629 -2.393 1.00 0.00 C ATOM 392 CG TRP A 27 6.580 -4.921 -3.635 1.00 0.00 C ATOM 393 CD1 TRP A 27 6.478 -3.595 -3.814 1.00 0.00 C ATOM 394 CD2 TRP A 27 7.259 -5.433 -4.820 1.00 0.00 C ATOM 395 NE1 TRP A 27 7.083 -3.218 -4.993 1.00 0.00 N ATOM 396 CE2 TRP A 27 7.620 -4.317 -5.636 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.623 -6.716 -5.293 1.00 0.00 C ATOM 398 CZ2 TRP A 27 8.360 -4.461 -6.818 1.00 0.00 C ATOM 399 CZ3 TRP A 27 8.338 -6.860 -6.490 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.747 -5.745 -7.232 1.00 0.00 C ATOM 0 H TRP A 27 6.937 -3.275 -1.215 1.00 0.00 H new ATOM 0 HA TRP A 27 6.804 -6.107 -0.387 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.137 -6.701 -2.591 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.129 -5.334 -2.159 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.990 -2.918 -3.129 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.128 -2.261 -5.343 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.347 -7.593 -4.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.629 -3.594 -7.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.578 -7.851 -6.847 1.00 0.00 H new ATOM 0 HH2 TRP A 27 9.355 -5.872 -8.115 1.00 0.00 H new ATOM 411 N ALA A 28 8.798 -6.658 -2.133 1.00 0.00 N ATOM 412 CA ALA A 28 10.055 -7.021 -2.747 1.00 0.00 C ATOM 413 C ALA A 28 9.704 -8.287 -3.521 1.00 0.00 C ATOM 414 O ALA A 28 8.778 -8.992 -3.121 1.00 0.00 O ATOM 415 CB ALA A 28 11.134 -7.297 -1.705 1.00 0.00 C ATOM 0 H ALA A 28 8.112 -7.410 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 28 10.464 -6.228 -3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.064 -7.567 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.293 -6.404 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.817 -8.118 -1.062 1.00 0.00 H new ATOM 421 N PRO A 29 10.377 -8.625 -4.617 1.00 0.00 N ATOM 422 CA PRO A 29 9.961 -9.767 -5.409 1.00 0.00 C ATOM 423 C PRO A 29 10.117 -11.063 -4.645 1.00 0.00 C ATOM 424 O PRO A 29 9.241 -11.922 -4.639 1.00 0.00 O ATOM 425 CB PRO A 29 10.848 -9.683 -6.621 1.00 0.00 C ATOM 426 CG PRO A 29 12.137 -8.998 -6.171 1.00 0.00 C ATOM 427 CD PRO A 29 11.585 -8.008 -5.140 1.00 0.00 C ATOM 0 HA PRO A 29 8.904 -9.752 -5.674 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.056 -10.676 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.365 -9.116 -7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.847 -9.699 -5.733 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.649 -8.498 -6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.308 -7.825 -4.345 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.366 -7.044 -5.600 1.00 0.00 H new ATOM 435 N TRP A 30 11.245 -11.159 -3.958 1.00 0.00 N ATOM 436 CA TRP A 30 11.526 -12.272 -3.067 1.00 0.00 C ATOM 437 C TRP A 30 10.449 -12.383 -1.976 1.00 0.00 C ATOM 438 O TRP A 30 10.303 -13.454 -1.388 1.00 0.00 O ATOM 439 CB TRP A 30 12.928 -12.131 -2.459 1.00 0.00 C ATOM 440 CG TRP A 30 13.234 -10.872 -1.701 1.00 0.00 C ATOM 441 CD1 TRP A 30 14.044 -9.884 -2.140 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.810 -10.469 -0.360 1.00 0.00 C ATOM 443 NE1 TRP A 30 14.147 -8.899 -1.183 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.391 -9.199 -0.069 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.008 -11.047 0.649 1.00 0.00 C ATOM 446 CZ2 TRP A 30 13.158 -8.523 1.139 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.741 -10.365 1.851 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.303 -9.100 2.092 1.00 0.00 C ATOM 0 H TRP A 30 11.992 -10.466 -4.003 1.00 0.00 H new ATOM 0 HA TRP A 30 11.503 -13.195 -3.646 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.089 -12.975 -1.788 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.655 -12.222 -3.266 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.538 -9.869 -3.100 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.711 -8.055 -1.285 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.592 -12.032 0.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.630 -7.571 1.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.100 -10.817 2.593 1.00 0.00 H new ATOM 0 HH2 TRP A 30 12.078 -8.573 3.007 1.00 0.00 H new ATOM 459 N CYS A 31 9.662 -11.331 -1.710 1.00 0.00 N ATOM 460 CA CYS A 31 8.633 -11.423 -0.675 1.00 0.00 C ATOM 461 C CYS A 31 7.422 -12.190 -1.215 1.00 0.00 C ATOM 462 O CYS A 31 6.484 -11.598 -1.745 1.00 0.00 O ATOM 463 CB CYS A 31 8.231 -10.042 -0.153 1.00 0.00 C ATOM 464 SG CYS A 31 6.819 -10.092 0.974 1.00 0.00 S ATOM 0 H CYS A 31 9.717 -10.430 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 31 9.045 -11.971 0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.081 -9.593 0.360 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.991 -9.397 -0.998 1.00 0.00 H new ATOM 469 N GLY A 32 7.448 -13.517 -1.061 1.00 0.00 N ATOM 470 CA GLY A 32 6.385 -14.434 -1.471 1.00 0.00 C ATOM 471 C GLY A 32 4.972 -13.883 -1.228 1.00 0.00 C ATOM 472 O GLY A 32 4.230 -13.696 -2.192 1.00 0.00 O ATOM 0 H GLY A 32 8.239 -13.998 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.501 -14.661 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.498 -15.373 -0.930 1.00 0.00 H new ATOM 476 N PRO A 33 4.571 -13.625 0.031 1.00 0.00 N ATOM 477 CA PRO A 33 3.272 -13.055 0.357 1.00 0.00 C ATOM 478 C PRO A 33 2.958 -11.819 -0.472 1.00 0.00 C ATOM 479 O PRO A 33 1.873 -11.691 -1.025 1.00 0.00 O ATOM 480 CB PRO A 33 3.336 -12.699 1.842 1.00 0.00 C ATOM 481 CG PRO A 33 4.273 -13.767 2.388 1.00 0.00 C ATOM 482 CD PRO A 33 5.294 -13.935 1.255 1.00 0.00 C ATOM 0 HA PRO A 33 2.478 -13.768 0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.726 -11.694 2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.354 -12.739 2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.748 -13.452 3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.746 -14.698 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.143 -13.265 1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.690 -14.950 1.231 1.00 0.00 H new ATOM 490 N CYS A 34 3.920 -10.906 -0.562 1.00 0.00 N ATOM 491 CA CYS A 34 3.749 -9.666 -1.296 1.00 0.00 C ATOM 492 C CYS A 34 3.417 -10.007 -2.745 1.00 0.00 C ATOM 493 O CYS A 34 2.398 -9.578 -3.279 1.00 0.00 O ATOM 494 CB CYS A 34 4.996 -8.785 -1.208 1.00 0.00 C ATOM 495 SG CYS A 34 5.703 -8.419 0.424 1.00 0.00 S ATOM 0 H CYS A 34 4.837 -11.009 -0.127 1.00 0.00 H new ATOM 0 HA CYS A 34 2.933 -9.093 -0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.775 -9.258 -1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.761 -7.834 -1.685 1.00 0.00 H new ATOM 500 N ARG A 35 4.267 -10.829 -3.361 1.00 0.00 N ATOM 501 CA ARG A 35 4.141 -11.274 -4.739 1.00 0.00 C ATOM 502 C ARG A 35 2.765 -11.884 -5.013 1.00 0.00 C ATOM 503 O ARG A 35 2.082 -11.477 -5.949 1.00 0.00 O ATOM 504 CB ARG A 35 5.239 -12.312 -5.007 1.00 0.00 C ATOM 505 CG ARG A 35 5.481 -12.569 -6.501 1.00 0.00 C ATOM 506 CD ARG A 35 6.280 -13.866 -6.678 1.00 0.00 C ATOM 507 NE ARG A 35 7.486 -13.858 -5.837 1.00 0.00 N ATOM 508 CZ ARG A 35 8.027 -14.913 -5.213 1.00 0.00 C ATOM 509 NH1 ARG A 35 7.609 -16.158 -5.461 1.00 0.00 N ATOM 510 NH2 ARG A 35 8.999 -14.687 -4.326 1.00 0.00 N ATOM 0 H ARG A 35 5.088 -11.213 -2.894 1.00 0.00 H new ATOM 0 HA ARG A 35 4.249 -10.416 -5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.168 -11.974 -4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.968 -13.250 -4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.529 -12.642 -7.026 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.024 -11.733 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.656 -14.721 -6.418 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.562 -13.984 -7.724 1.00 0.00 H new ATOM 0 HE ARG A 35 7.957 -12.961 -5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.863 -16.320 -6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.036 -16.946 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.309 -13.733 -4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.432 -15.468 -3.834 1.00 0.00 H new ATOM 524 N ILE A 36 2.370 -12.880 -4.217 1.00 0.00 N ATOM 525 CA ILE A 36 1.125 -13.606 -4.460 1.00 0.00 C ATOM 526 C ILE A 36 -0.116 -12.804 -4.050 1.00 0.00 C ATOM 527 O ILE A 36 -1.178 -13.030 -4.624 1.00 0.00 O ATOM 528 CB ILE A 36 1.165 -15.011 -3.822 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.205 -14.988 -2.285 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.380 -15.783 -4.359 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.177 -15.258 -1.683 1.00 0.00 C ATOM 0 H ILE A 36 2.893 -13.200 -3.402 1.00 0.00 H new ATOM 0 HA ILE A 36 1.038 -13.745 -5.538 1.00 0.00 H new ATOM 0 HB ILE A 36 0.236 -15.508 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.911 -15.737 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.568 -14.019 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.409 -16.775 -3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.301 -15.878 -5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.294 -15.244 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.111 -15.234 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.877 -14.494 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.528 -16.239 -2.004 1.00 0.00 H new ATOM 543 N ILE A 37 -0.023 -11.885 -3.080 1.00 0.00 N ATOM 544 CA ILE A 37 -1.164 -11.065 -2.670 1.00 0.00 C ATOM 545 C ILE A 37 -1.297 -9.851 -3.607 1.00 0.00 C ATOM 546 O ILE A 37 -2.403 -9.366 -3.815 1.00 0.00 O ATOM 547 CB ILE A 37 -1.040 -10.676 -1.179 1.00 0.00 C ATOM 548 CG1 ILE A 37 -1.046 -11.915 -0.256 1.00 0.00 C ATOM 549 CG2 ILE A 37 -2.180 -9.751 -0.729 1.00 0.00 C ATOM 550 CD1 ILE A 37 -2.395 -12.634 -0.121 1.00 0.00 C ATOM 0 H ILE A 37 0.836 -11.692 -2.564 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.087 -11.638 -2.760 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.086 -10.155 -1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.310 -12.628 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.717 -11.608 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.053 -9.503 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.162 -8.836 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.136 -10.256 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.287 -13.488 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.135 -11.945 0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.722 -12.981 -1.101 1.00 0.00 H new ATOM 562 N ALA A 38 -0.213 -9.373 -4.230 1.00 0.00 N ATOM 563 CA ALA A 38 -0.196 -8.236 -5.152 1.00 0.00 C ATOM 564 C ALA A 38 -1.397 -8.159 -6.118 1.00 0.00 C ATOM 565 O ALA A 38 -1.951 -7.070 -6.261 1.00 0.00 O ATOM 566 CB ALA A 38 1.118 -8.234 -5.942 1.00 0.00 C ATOM 0 H ALA A 38 0.711 -9.785 -4.099 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.278 -7.348 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.129 -7.387 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.958 -8.153 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.203 -9.161 -6.509 1.00 0.00 H new ATOM 572 N PRO A 39 -1.832 -9.241 -6.795 1.00 0.00 N ATOM 573 CA PRO A 39 -2.980 -9.198 -7.696 1.00 0.00 C ATOM 574 C PRO A 39 -4.254 -8.853 -6.920 1.00 0.00 C ATOM 575 O PRO A 39 -5.140 -8.157 -7.410 1.00 0.00 O ATOM 576 CB PRO A 39 -3.089 -10.595 -8.326 1.00 0.00 C ATOM 577 CG PRO A 39 -1.744 -11.253 -8.017 1.00 0.00 C ATOM 578 CD PRO A 39 -1.376 -10.612 -6.684 1.00 0.00 C ATOM 0 HA PRO A 39 -2.855 -8.433 -8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.917 -11.161 -7.898 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.265 -10.535 -9.400 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.829 -12.337 -7.939 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.002 -11.046 -8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.860 -11.124 -5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.302 -10.659 -6.506 1.00 0.00 H new ATOM 586 N VAL A 40 -4.335 -9.352 -5.688 1.00 0.00 N ATOM 587 CA VAL A 40 -5.438 -9.098 -4.789 1.00 0.00 C ATOM 588 C VAL A 40 -5.375 -7.621 -4.386 1.00 0.00 C ATOM 589 O VAL A 40 -6.389 -6.927 -4.397 1.00 0.00 O ATOM 590 CB VAL A 40 -5.362 -10.058 -3.588 1.00 0.00 C ATOM 591 CG1 VAL A 40 -6.690 -10.041 -2.843 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.077 -11.507 -4.012 1.00 0.00 C ATOM 0 H VAL A 40 -3.617 -9.955 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.401 -9.284 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.542 -9.715 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.639 -10.720 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.896 -9.031 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.488 -10.360 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.033 -12.143 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.872 -11.856 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.123 -11.551 -4.538 1.00 0.00 H new ATOM 602 N VAL A 41 -4.182 -7.111 -4.060 1.00 0.00 N ATOM 603 CA VAL A 41 -4.031 -5.692 -3.744 1.00 0.00 C ATOM 604 C VAL A 41 -4.513 -4.865 -4.952 1.00 0.00 C ATOM 605 O VAL A 41 -5.242 -3.886 -4.791 1.00 0.00 O ATOM 606 CB VAL A 41 -2.578 -5.348 -3.354 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.544 -3.953 -2.721 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.999 -6.299 -2.304 1.00 0.00 C ATOM 0 H VAL A 41 -3.320 -7.653 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.642 -5.446 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.992 -5.420 -4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.520 -3.704 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.914 -3.219 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.174 -3.942 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.975 -6.005 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.604 -6.253 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.005 -7.317 -2.693 1.00 0.00 H new ATOM 618 N ASP A 42 -4.118 -5.264 -6.168 1.00 0.00 N ATOM 619 CA ASP A 42 -4.541 -4.598 -7.395 1.00 0.00 C ATOM 620 C ASP A 42 -6.055 -4.583 -7.513 1.00 0.00 C ATOM 621 O ASP A 42 -6.651 -3.514 -7.579 1.00 0.00 O ATOM 622 CB ASP A 42 -3.958 -5.289 -8.629 1.00 0.00 C ATOM 623 CG ASP A 42 -4.517 -4.696 -9.922 1.00 0.00 C ATOM 624 OD1 ASP A 42 -4.261 -3.497 -10.161 1.00 0.00 O ATOM 625 OD2 ASP A 42 -5.210 -5.452 -10.635 1.00 0.00 O ATOM 0 H ASP A 42 -3.496 -6.058 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.170 -3.574 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.872 -5.191 -8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.182 -6.355 -8.590 1.00 0.00 H new ATOM 630 N GLU A 43 -6.687 -5.754 -7.559 1.00 0.00 N ATOM 631 CA GLU A 43 -8.132 -5.790 -7.729 1.00 0.00 C ATOM 632 C GLU A 43 -8.839 -5.060 -6.608 1.00 0.00 C ATOM 633 O GLU A 43 -9.880 -4.481 -6.867 1.00 0.00 O ATOM 634 CB GLU A 43 -8.666 -7.208 -7.851 1.00 0.00 C ATOM 635 CG GLU A 43 -8.901 -7.924 -6.510 1.00 0.00 C ATOM 636 CD GLU A 43 -9.012 -9.436 -6.665 1.00 0.00 C ATOM 637 OE1 GLU A 43 -8.060 -10.026 -7.221 1.00 0.00 O ATOM 638 OE2 GLU A 43 -10.044 -9.982 -6.214 1.00 0.00 O ATOM 0 H GLU A 43 -6.234 -6.665 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.342 -5.276 -8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.606 -7.182 -8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.965 -7.796 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.082 -7.691 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.814 -7.541 -6.053 1.00 0.00 H new ATOM 645 N ILE A 44 -8.328 -5.079 -5.376 1.00 0.00 N ATOM 646 CA ILE A 44 -8.969 -4.305 -4.327 1.00 0.00 C ATOM 647 C ILE A 44 -9.017 -2.853 -4.794 1.00 0.00 C ATOM 648 O ILE A 44 -10.059 -2.212 -4.698 1.00 0.00 O ATOM 649 CB ILE A 44 -8.260 -4.529 -2.988 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.665 -5.920 -2.477 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.680 -3.475 -1.963 1.00 0.00 C ATOM 652 CD1 ILE A 44 -7.727 -6.408 -1.377 1.00 0.00 C ATOM 0 H ILE A 44 -7.501 -5.604 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.995 -4.625 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.181 -4.454 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.686 -5.886 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.657 -6.629 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.162 -3.657 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.421 -2.483 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.757 -3.533 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.044 -7.395 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.710 -6.467 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.756 -5.712 -0.539 1.00 0.00 H new ATOM 664 N ALA A 45 -7.932 -2.330 -5.366 1.00 0.00 N ATOM 665 CA ALA A 45 -8.006 -0.998 -5.934 1.00 0.00 C ATOM 666 C ALA A 45 -8.973 -0.987 -7.123 1.00 0.00 C ATOM 667 O ALA A 45 -9.812 -0.097 -7.176 1.00 0.00 O ATOM 668 CB ALA A 45 -6.624 -0.496 -6.322 1.00 0.00 C ATOM 0 H ALA A 45 -7.027 -2.793 -5.444 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.394 -0.313 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.706 0.505 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.987 -0.465 -5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.187 -1.168 -7.061 1.00 0.00 H new ATOM 674 N GLY A 46 -8.888 -1.930 -8.068 1.00 0.00 N ATOM 675 CA GLY A 46 -9.795 -1.979 -9.215 1.00 0.00 C ATOM 676 C GLY A 46 -11.251 -1.839 -8.760 1.00 0.00 C ATOM 677 O GLY A 46 -11.944 -0.893 -9.131 1.00 0.00 O ATOM 0 H GLY A 46 -8.192 -2.676 -8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.549 -1.180 -9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.664 -2.921 -9.748 1.00 0.00 H new ATOM 681 N GLU A 47 -11.688 -2.787 -7.930 1.00 0.00 N ATOM 682 CA GLU A 47 -12.983 -2.802 -7.268 1.00 0.00 C ATOM 683 C GLU A 47 -13.274 -1.444 -6.613 1.00 0.00 C ATOM 684 O GLU A 47 -14.293 -0.817 -6.902 1.00 0.00 O ATOM 685 CB GLU A 47 -12.997 -3.929 -6.218 1.00 0.00 C ATOM 686 CG GLU A 47 -12.978 -5.341 -6.832 1.00 0.00 C ATOM 687 CD GLU A 47 -12.794 -6.439 -5.779 1.00 0.00 C ATOM 688 OE1 GLU A 47 -12.014 -6.207 -4.829 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.426 -7.506 -5.945 1.00 0.00 O ATOM 0 H GLU A 47 -11.119 -3.600 -7.693 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.764 -2.986 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.134 -3.815 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.886 -3.824 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.910 -5.512 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.172 -5.405 -7.563 1.00 0.00 H new ATOM 696 N TYR A 48 -12.382 -0.967 -5.738 1.00 0.00 N ATOM 697 CA TYR A 48 -12.542 0.293 -5.003 1.00 0.00 C ATOM 698 C TYR A 48 -12.082 1.481 -5.871 1.00 0.00 C ATOM 699 O TYR A 48 -11.171 2.259 -5.540 1.00 0.00 O ATOM 700 CB TYR A 48 -11.847 0.189 -3.633 1.00 0.00 C ATOM 701 CG TYR A 48 -12.564 -0.733 -2.647 1.00 0.00 C ATOM 702 CD1 TYR A 48 -12.709 -2.111 -2.909 1.00 0.00 C ATOM 703 CD2 TYR A 48 -13.240 -0.181 -1.542 1.00 0.00 C ATOM 704 CE1 TYR A 48 -13.631 -2.883 -2.186 1.00 0.00 C ATOM 705 CE2 TYR A 48 -14.164 -0.952 -0.814 1.00 0.00 C ATOM 706 CZ TYR A 48 -14.394 -2.292 -1.170 1.00 0.00 C ATOM 707 OH TYR A 48 -15.380 -3.015 -0.572 1.00 0.00 O ATOM 0 H TYR A 48 -11.514 -1.454 -5.517 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.594 0.483 -4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.829 -0.172 -3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.773 1.185 -3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.105 -2.577 -3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -13.048 0.841 -1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.753 -3.932 -2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -14.696 -0.515 0.018 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.612 -2.604 0.287 1.00 0.00 H new ATOM 717 N LYS A 49 -12.753 1.589 -7.021 1.00 0.00 N ATOM 718 CA LYS A 49 -12.587 2.632 -8.016 1.00 0.00 C ATOM 719 C LYS A 49 -12.601 4.010 -7.343 1.00 0.00 C ATOM 720 O LYS A 49 -13.381 4.241 -6.422 1.00 0.00 O ATOM 721 CB LYS A 49 -13.689 2.507 -9.080 1.00 0.00 C ATOM 722 CG LYS A 49 -15.114 2.548 -8.506 1.00 0.00 C ATOM 723 CD LYS A 49 -16.138 2.434 -9.642 1.00 0.00 C ATOM 724 CE LYS A 49 -17.574 2.393 -9.105 1.00 0.00 C ATOM 725 NZ LYS A 49 -17.933 3.632 -8.390 1.00 0.00 N ATOM 0 H LYS A 49 -13.464 0.909 -7.290 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.623 2.519 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.576 3.314 -9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.553 1.571 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.253 1.733 -7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.268 3.477 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.026 3.280 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.940 1.533 -10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.266 2.239 -9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.686 1.542 -8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.944 3.612 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.369 3.706 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.739 4.453 -8.999 1.00 0.00 H new ATOM 739 N ASP A 50 -11.703 4.900 -7.782 1.00 0.00 N ATOM 740 CA ASP A 50 -11.510 6.273 -7.320 1.00 0.00 C ATOM 741 C ASP A 50 -10.910 6.351 -5.921 1.00 0.00 C ATOM 742 O ASP A 50 -9.826 6.891 -5.728 1.00 0.00 O ATOM 743 CB ASP A 50 -12.829 7.054 -7.344 1.00 0.00 C ATOM 744 CG ASP A 50 -12.571 8.521 -7.028 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.240 9.255 -7.982 1.00 0.00 O ATOM 746 OD2 ASP A 50 -12.686 8.869 -5.833 1.00 0.00 O ATOM 0 H ASP A 50 -11.046 4.658 -8.524 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.800 6.722 -8.015 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.298 6.961 -8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.524 6.633 -6.617 1.00 0.00 H new ATOM 751 N LYS A 51 -11.574 5.716 -4.965 1.00 0.00 N ATOM 752 CA LYS A 51 -11.305 5.913 -3.551 1.00 0.00 C ATOM 753 C LYS A 51 -10.061 5.206 -3.035 1.00 0.00 C ATOM 754 O LYS A 51 -9.695 5.467 -1.896 1.00 0.00 O ATOM 755 CB LYS A 51 -12.510 5.409 -2.743 1.00 0.00 C ATOM 756 CG LYS A 51 -12.793 3.909 -2.911 1.00 0.00 C ATOM 757 CD LYS A 51 -14.142 3.495 -2.311 1.00 0.00 C ATOM 758 CE LYS A 51 -14.154 3.589 -0.780 1.00 0.00 C ATOM 759 NZ LYS A 51 -15.362 2.961 -0.219 1.00 0.00 N ATOM 0 H LYS A 51 -12.319 5.045 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.130 6.982 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.340 5.620 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.395 5.971 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.778 3.656 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.997 3.337 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.928 4.131 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.372 2.473 -2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.266 3.102 -0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.110 4.635 -0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.344 3.039 0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.207 3.442 -0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.389 1.957 -0.490 1.00 0.00 H new ATOM 773 N LEU A 52 -9.422 4.328 -3.812 1.00 0.00 N ATOM 774 CA LEU A 52 -8.275 3.587 -3.291 1.00 0.00 C ATOM 775 C LEU A 52 -7.176 3.414 -4.337 1.00 0.00 C ATOM 776 O LEU A 52 -7.360 2.643 -5.279 1.00 0.00 O ATOM 777 CB LEU A 52 -8.807 2.234 -2.789 1.00 0.00 C ATOM 778 CG LEU A 52 -8.136 1.798 -1.489 1.00 0.00 C ATOM 779 CD1 LEU A 52 -8.883 2.511 -0.359 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.249 0.281 -1.323 1.00 0.00 C ATOM 0 H LEU A 52 -9.672 4.117 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.807 4.140 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.884 2.303 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.643 1.475 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.076 2.052 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.443 2.234 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.806 3.590 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.933 2.217 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.767 -0.020 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.301 -0.005 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.760 -0.214 -2.162 1.00 0.00 H new ATOM 792 N LYS A 53 -6.033 4.094 -4.211 1.00 0.00 N ATOM 793 CA LYS A 53 -4.953 3.943 -5.175 1.00 0.00 C ATOM 794 C LYS A 53 -4.005 2.873 -4.630 1.00 0.00 C ATOM 795 O LYS A 53 -3.354 3.081 -3.614 1.00 0.00 O ATOM 796 CB LYS A 53 -4.285 5.311 -5.380 1.00 0.00 C ATOM 797 CG LYS A 53 -3.651 5.497 -6.769 1.00 0.00 C ATOM 798 CD LYS A 53 -2.568 4.458 -7.092 1.00 0.00 C ATOM 799 CE LYS A 53 -1.944 4.670 -8.476 1.00 0.00 C ATOM 800 NZ LYS A 53 -1.182 5.928 -8.554 1.00 0.00 N ATOM 0 H LYS A 53 -5.837 4.749 -3.454 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.299 3.616 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.028 6.093 -5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.515 5.445 -4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.433 5.443 -7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.216 6.495 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.786 4.505 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.001 3.459 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.286 3.833 -8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.730 4.676 -9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.414 5.826 -9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.815 6.699 -8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.779 6.148 -7.621 1.00 0.00 H new ATOM 814 N CYS A 54 -3.923 1.707 -5.265 1.00 0.00 N ATOM 815 CA CYS A 54 -3.022 0.661 -4.793 1.00 0.00 C ATOM 816 C CYS A 54 -1.618 1.008 -5.246 1.00 0.00 C ATOM 817 O CYS A 54 -1.408 1.485 -6.361 1.00 0.00 O ATOM 818 CB CYS A 54 -3.433 -0.721 -5.326 1.00 0.00 C ATOM 819 SG CYS A 54 -2.009 -1.838 -5.447 1.00 0.00 S ATOM 0 H CYS A 54 -4.462 1.465 -6.097 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.069 0.608 -3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.184 -1.157 -4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.895 -0.611 -6.307 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.425 -3.069 -5.481 1.00 0.00 H new ATOM 825 N VAL A 55 -0.650 0.808 -4.359 1.00 0.00 N ATOM 826 CA VAL A 55 0.736 0.985 -4.725 1.00 0.00 C ATOM 827 C VAL A 55 1.589 -0.071 -4.065 1.00 0.00 C ATOM 828 O VAL A 55 1.203 -0.687 -3.074 1.00 0.00 O ATOM 829 CB VAL A 55 1.272 2.389 -4.412 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.916 2.925 -5.683 1.00 0.00 C ATOM 831 CG2 VAL A 55 0.216 3.386 -3.952 1.00 0.00 C ATOM 0 H VAL A 55 -0.805 0.526 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 55 0.791 0.873 -5.808 1.00 0.00 H new ATOM 0 HB VAL A 55 1.970 2.285 -3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.309 3.925 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.729 2.265 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.171 2.970 -6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.687 4.349 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.537 3.503 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.258 3.020 -3.041 1.00 0.00 H new ATOM 841 N LYS A 56 2.762 -0.273 -4.653 1.00 0.00 N ATOM 842 CA LYS A 56 3.696 -1.287 -4.242 1.00 0.00 C ATOM 843 C LYS A 56 5.086 -0.661 -4.174 1.00 0.00 C ATOM 844 O LYS A 56 5.695 -0.373 -5.208 1.00 0.00 O ATOM 845 CB LYS A 56 3.607 -2.420 -5.259 1.00 0.00 C ATOM 846 CG LYS A 56 2.160 -2.883 -5.453 1.00 0.00 C ATOM 847 CD LYS A 56 2.157 -4.100 -6.371 1.00 0.00 C ATOM 848 CE LYS A 56 0.728 -4.366 -6.866 1.00 0.00 C ATOM 849 NZ LYS A 56 0.715 -5.163 -8.105 1.00 0.00 N ATOM 0 H LYS A 56 3.087 0.281 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 56 3.475 -1.692 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.015 -2.088 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.218 -3.259 -4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.711 -3.133 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.561 -2.081 -5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.821 -3.931 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.537 -4.972 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.167 -4.890 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.221 -3.417 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.175 -5.698 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.794 -4.530 -8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.517 -5.825 -8.100 1.00 0.00 H new ATOM 863 N LEU A 57 5.584 -0.434 -2.958 1.00 0.00 N ATOM 864 CA LEU A 57 6.909 0.137 -2.752 1.00 0.00 C ATOM 865 C LEU A 57 7.969 -0.945 -2.682 1.00 0.00 C ATOM 866 O LEU A 57 7.893 -1.847 -1.854 1.00 0.00 O ATOM 867 CB LEU A 57 6.918 1.162 -1.606 1.00 0.00 C ATOM 868 CG LEU A 57 7.538 0.964 -0.211 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.991 0.475 -0.191 1.00 0.00 C ATOM 870 CD2 LEU A 57 7.496 2.338 0.470 1.00 0.00 C ATOM 0 H LEU A 57 5.081 -0.640 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 57 7.184 0.727 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.394 2.053 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.872 1.412 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 57 6.964 0.182 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.326 0.370 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.057 -0.490 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.625 1.197 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.925 2.262 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.071 3.053 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.462 2.676 0.543 1.00 0.00 H new ATOM 882 N ASN A 58 8.942 -0.896 -3.596 1.00 0.00 N ATOM 883 CA ASN A 58 9.997 -1.896 -3.588 1.00 0.00 C ATOM 884 C ASN A 58 10.963 -1.560 -2.454 1.00 0.00 C ATOM 885 O ASN A 58 11.745 -0.622 -2.544 1.00 0.00 O ATOM 886 CB ASN A 58 10.702 -1.982 -4.939 1.00 0.00 C ATOM 887 CG ASN A 58 11.716 -3.125 -4.905 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.632 -3.133 -4.089 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.548 -4.132 -5.754 1.00 0.00 N ATOM 0 H ASN A 58 9.016 -0.192 -4.330 1.00 0.00 H new ATOM 0 HA ASN A 58 9.569 -2.884 -3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.974 -2.149 -5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.205 -1.041 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.186 -4.928 -5.734 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.781 -4.110 -6.426 1.00 0.00 H new ATOM 896 N THR A 59 10.904 -2.351 -1.391 1.00 0.00 N ATOM 897 CA THR A 59 11.626 -2.138 -0.144 1.00 0.00 C ATOM 898 C THR A 59 13.129 -2.336 -0.328 1.00 0.00 C ATOM 899 O THR A 59 13.933 -1.684 0.330 1.00 0.00 O ATOM 900 CB THR A 59 11.058 -3.108 0.903 1.00 0.00 C ATOM 901 OG1 THR A 59 9.645 -3.036 0.894 1.00 0.00 O ATOM 902 CG2 THR A 59 11.541 -2.770 2.312 1.00 0.00 C ATOM 0 H THR A 59 10.328 -3.193 -1.373 1.00 0.00 H new ATOM 0 HA THR A 59 11.491 -1.109 0.190 1.00 0.00 H new ATOM 0 HB THR A 59 11.404 -4.108 0.643 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.292 -3.624 0.194 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.116 -3.480 3.022 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.629 -2.828 2.347 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.223 -1.761 2.573 1.00 0.00 H new ATOM 910 N ASP A 60 13.502 -3.235 -1.236 1.00 0.00 N ATOM 911 CA ASP A 60 14.884 -3.581 -1.532 1.00 0.00 C ATOM 912 C ASP A 60 15.584 -2.373 -2.173 1.00 0.00 C ATOM 913 O ASP A 60 16.717 -2.029 -1.847 1.00 0.00 O ATOM 914 CB ASP A 60 14.840 -4.807 -2.457 1.00 0.00 C ATOM 915 CG ASP A 60 16.049 -5.715 -2.298 1.00 0.00 C ATOM 916 OD1 ASP A 60 17.144 -5.297 -2.727 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.833 -6.827 -1.760 1.00 0.00 O ATOM 0 H ASP A 60 12.830 -3.755 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 60 15.457 -3.829 -0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.934 -5.378 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.778 -4.472 -3.492 1.00 0.00 H new ATOM 922 N GLU A 61 14.846 -1.715 -3.071 1.00 0.00 N ATOM 923 CA GLU A 61 15.235 -0.536 -3.829 1.00 0.00 C ATOM 924 C GLU A 61 14.999 0.759 -3.039 1.00 0.00 C ATOM 925 O GLU A 61 15.674 1.758 -3.278 1.00 0.00 O ATOM 926 CB GLU A 61 14.388 -0.540 -5.108 1.00 0.00 C ATOM 927 CG GLU A 61 14.719 0.581 -6.098 1.00 0.00 C ATOM 928 CD GLU A 61 13.792 0.515 -7.306 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.596 0.822 -7.112 1.00 0.00 O ATOM 930 OE2 GLU A 61 14.289 0.148 -8.392 1.00 0.00 O ATOM 0 H GLU A 61 13.899 -2.017 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 61 16.302 -0.569 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.517 -1.499 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.336 -0.463 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.619 1.549 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.756 0.494 -6.422 1.00 0.00 H new ATOM 937 N SER A 62 14.016 0.768 -2.134 1.00 0.00 N ATOM 938 CA SER A 62 13.586 1.929 -1.367 1.00 0.00 C ATOM 939 C SER A 62 13.566 1.652 0.143 1.00 0.00 C ATOM 940 O SER A 62 12.559 1.931 0.799 1.00 0.00 O ATOM 941 CB SER A 62 12.194 2.307 -1.870 1.00 0.00 C ATOM 942 OG SER A 62 11.815 3.572 -1.382 1.00 0.00 O ATOM 0 H SER A 62 13.479 -0.070 -1.910 1.00 0.00 H new ATOM 0 HA SER A 62 14.291 2.748 -1.510 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.185 2.315 -2.960 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.470 1.557 -1.551 1.00 0.00 H new ATOM 0 HG SER A 62 11.805 3.555 -0.402 1.00 0.00 H new ATOM 948 N PRO A 63 14.679 1.166 0.711 1.00 0.00 N ATOM 949 CA PRO A 63 14.836 0.934 2.133 1.00 0.00 C ATOM 950 C PRO A 63 14.722 2.266 2.864 1.00 0.00 C ATOM 951 O PRO A 63 14.348 2.297 4.028 1.00 0.00 O ATOM 952 CB PRO A 63 16.232 0.332 2.302 1.00 0.00 C ATOM 953 CG PRO A 63 16.997 0.994 1.158 1.00 0.00 C ATOM 954 CD PRO A 63 15.953 1.006 0.045 1.00 0.00 C ATOM 0 HA PRO A 63 14.076 0.267 2.540 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.665 0.569 3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.223 -0.754 2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.329 1.999 1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.885 0.427 0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 63 16.135 1.822 -0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.982 0.080 -0.530 1.00 0.00 H new ATOM 962 N ASN A 64 15.067 3.358 2.174 1.00 0.00 N ATOM 963 CA ASN A 64 14.969 4.734 2.654 1.00 0.00 C ATOM 964 C ASN A 64 13.671 4.930 3.439 1.00 0.00 C ATOM 965 O ASN A 64 13.684 5.234 4.629 1.00 0.00 O ATOM 966 CB ASN A 64 14.977 5.720 1.471 1.00 0.00 C ATOM 967 CG ASN A 64 16.188 5.621 0.550 1.00 0.00 C ATOM 968 OD1 ASN A 64 16.920 4.635 0.562 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.379 6.626 -0.297 1.00 0.00 N ATOM 0 H ASN A 64 15.438 3.301 1.225 1.00 0.00 H new ATOM 0 HA ASN A 64 15.827 4.926 3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.076 5.559 0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.922 6.735 1.865 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.151 6.592 -0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.753 7.431 -0.282 1.00 0.00 H new ATOM 976 N VAL A 65 12.546 4.702 2.764 1.00 0.00 N ATOM 977 CA VAL A 65 11.214 4.885 3.313 1.00 0.00 C ATOM 978 C VAL A 65 11.020 3.989 4.532 1.00 0.00 C ATOM 979 O VAL A 65 10.598 4.441 5.597 1.00 0.00 O ATOM 980 CB VAL A 65 10.190 4.589 2.208 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.773 4.713 2.761 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.360 5.581 1.055 1.00 0.00 C ATOM 0 H VAL A 65 12.541 4.377 1.797 1.00 0.00 H new ATOM 0 HA VAL A 65 11.075 5.912 3.651 1.00 0.00 H new ATOM 0 HB VAL A 65 10.356 3.574 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.054 4.501 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.637 4.001 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.615 5.725 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.629 5.363 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.207 6.596 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.366 5.492 0.644 1.00 0.00 H new ATOM 992 N ALA A 66 11.332 2.705 4.364 1.00 0.00 N ATOM 993 CA ALA A 66 11.240 1.734 5.447 1.00 0.00 C ATOM 994 C ALA A 66 12.016 2.226 6.674 1.00 0.00 C ATOM 995 O ALA A 66 11.530 2.114 7.795 1.00 0.00 O ATOM 996 CB ALA A 66 11.750 0.371 4.971 1.00 0.00 C ATOM 0 H ALA A 66 11.653 2.313 3.479 1.00 0.00 H new ATOM 0 HA ALA A 66 10.196 1.622 5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.678 -0.349 5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.146 0.030 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.790 0.461 4.657 1.00 0.00 H new ATOM 1002 N SER A 67 13.196 2.810 6.461 1.00 0.00 N ATOM 1003 CA SER A 67 14.041 3.341 7.519 1.00 0.00 C ATOM 1004 C SER A 67 13.392 4.572 8.152 1.00 0.00 C ATOM 1005 O SER A 67 13.366 4.697 9.373 1.00 0.00 O ATOM 1006 CB SER A 67 15.431 3.673 6.964 1.00 0.00 C ATOM 1007 OG SER A 67 15.968 2.560 6.275 1.00 0.00 O ATOM 0 H SER A 67 13.594 2.927 5.529 1.00 0.00 H new ATOM 0 HA SER A 67 14.155 2.585 8.296 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.366 4.528 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.096 3.959 7.779 1.00 0.00 H new ATOM 0 HG SER A 67 15.477 2.426 5.437 1.00 0.00 H new ATOM 1013 N GLU A 68 12.868 5.478 7.321 1.00 0.00 N ATOM 1014 CA GLU A 68 12.181 6.686 7.770 1.00 0.00 C ATOM 1015 C GLU A 68 11.018 6.323 8.698 1.00 0.00 C ATOM 1016 O GLU A 68 10.818 6.978 9.718 1.00 0.00 O ATOM 1017 CB GLU A 68 11.671 7.482 6.561 1.00 0.00 C ATOM 1018 CG GLU A 68 12.815 8.148 5.784 1.00 0.00 C ATOM 1019 CD GLU A 68 12.368 8.562 4.385 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.428 9.382 4.310 1.00 0.00 O ATOM 1021 OE2 GLU A 68 12.966 8.044 3.416 1.00 0.00 O ATOM 0 H GLU A 68 12.911 5.389 6.306 1.00 0.00 H new ATOM 0 HA GLU A 68 12.886 7.305 8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.121 6.817 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.971 8.245 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.167 9.024 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.657 7.459 5.710 1.00 0.00 H new ATOM 1028 N TYR A 69 10.259 5.278 8.353 1.00 0.00 N ATOM 1029 CA TYR A 69 9.146 4.833 9.186 1.00 0.00 C ATOM 1030 C TYR A 69 9.666 4.020 10.376 1.00 0.00 C ATOM 1031 O TYR A 69 9.085 4.075 11.457 1.00 0.00 O ATOM 1032 CB TYR A 69 8.162 4.011 8.344 1.00 0.00 C ATOM 1033 CG TYR A 69 7.190 4.863 7.550 1.00 0.00 C ATOM 1034 CD1 TYR A 69 6.206 5.615 8.220 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.301 4.954 6.151 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.366 6.482 7.501 1.00 0.00 C ATOM 1037 CE2 TYR A 69 6.452 5.812 5.430 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.493 6.582 6.105 1.00 0.00 C ATOM 1039 OH TYR A 69 4.704 7.443 5.405 1.00 0.00 O ATOM 0 H TYR A 69 10.397 4.728 7.505 1.00 0.00 H new ATOM 0 HA TYR A 69 8.620 5.703 9.578 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.724 3.378 7.657 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.599 3.348 9.001 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.097 5.525 9.291 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.040 4.364 5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.624 7.071 8.020 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.538 5.878 4.355 1.00 0.00 H new ATOM 0 HH TYR A 69 4.924 7.386 4.452 1.00 0.00 H new ATOM 1049 N GLY A 70 10.746 3.263 10.180 1.00 0.00 N ATOM 1050 CA GLY A 70 11.405 2.485 11.219 1.00 0.00 C ATOM 1051 C GLY A 70 10.957 1.028 11.198 1.00 0.00 C ATOM 1052 O GLY A 70 10.658 0.451 12.241 1.00 0.00 O ATOM 0 H GLY A 70 11.195 3.174 9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.485 2.536 11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.186 2.920 12.194 1.00 0.00 H new ATOM 1056 N ILE A 71 10.915 0.431 10.006 1.00 0.00 N ATOM 1057 CA ILE A 71 10.548 -0.944 9.759 1.00 0.00 C ATOM 1058 C ILE A 71 11.562 -1.545 8.780 1.00 0.00 C ATOM 1059 O ILE A 71 12.495 -0.863 8.355 1.00 0.00 O ATOM 1060 CB ILE A 71 9.115 -0.976 9.208 1.00 0.00 C ATOM 1061 CG1 ILE A 71 8.940 -0.015 8.020 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.118 -0.646 10.329 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.637 -0.276 7.266 1.00 0.00 C ATOM 0 H ILE A 71 11.151 0.930 9.148 1.00 0.00 H new ATOM 0 HA ILE A 71 10.567 -1.539 10.672 1.00 0.00 H new ATOM 0 HB ILE A 71 8.916 -1.982 8.838 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.952 1.014 8.380 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.783 -0.124 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.103 -0.670 9.932 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.213 -1.381 11.128 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.330 0.348 10.723 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.551 0.424 6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.636 -1.297 6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.792 -0.141 7.942 1.00 0.00 H new ATOM 1075 N ARG A 72 11.380 -2.817 8.412 1.00 0.00 N ATOM 1076 CA ARG A 72 12.267 -3.526 7.501 1.00 0.00 C ATOM 1077 C ARG A 72 11.529 -4.712 6.888 1.00 0.00 C ATOM 1078 O ARG A 72 11.374 -4.777 5.671 1.00 0.00 O ATOM 1079 CB ARG A 72 13.519 -3.978 8.272 1.00 0.00 C ATOM 1080 CG ARG A 72 14.385 -4.959 7.464 1.00 0.00 C ATOM 1081 CD ARG A 72 15.604 -5.455 8.260 1.00 0.00 C ATOM 1082 NE ARG A 72 15.261 -5.912 9.617 1.00 0.00 N ATOM 1083 CZ ARG A 72 14.356 -6.853 9.922 1.00 0.00 C ATOM 1084 NH1 ARG A 72 13.816 -7.614 8.966 1.00 0.00 N ATOM 1085 NH2 ARG A 72 13.971 -7.011 11.192 1.00 0.00 N ATOM 0 H ARG A 72 10.601 -3.385 8.746 1.00 0.00 H new ATOM 0 HA ARG A 72 12.580 -2.871 6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.115 -3.104 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.216 -4.450 9.206 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.778 -5.813 7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.725 -4.472 6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.077 -6.273 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.337 -4.651 8.328 1.00 0.00 H new ATOM 0 HE ARG A 72 15.756 -5.474 10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.091 -7.482 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.128 -8.327 9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.365 -6.418 11.922 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.283 -7.725 11.431 1.00 0.00 H new ATOM 1099 N SER A 73 11.132 -5.678 7.725 1.00 0.00 N ATOM 1100 CA SER A 73 10.423 -6.858 7.264 1.00 0.00 C ATOM 1101 C SER A 73 9.177 -6.452 6.477 1.00 0.00 C ATOM 1102 O SER A 73 8.609 -5.384 6.700 1.00 0.00 O ATOM 1103 CB SER A 73 10.014 -7.711 8.462 1.00 0.00 C ATOM 1104 OG SER A 73 11.099 -7.927 9.346 1.00 0.00 O ATOM 0 H SER A 73 11.296 -5.656 8.732 1.00 0.00 H new ATOM 0 HA SER A 73 11.082 -7.433 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.201 -7.221 8.997 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.633 -8.670 8.112 1.00 0.00 H new ATOM 0 HG SER A 73 10.801 -8.475 10.102 1.00 0.00 H new ATOM 1110 N ILE A 74 8.746 -7.340 5.587 1.00 0.00 N ATOM 1111 CA ILE A 74 7.611 -7.153 4.701 1.00 0.00 C ATOM 1112 C ILE A 74 6.907 -8.505 4.572 1.00 0.00 C ATOM 1113 O ILE A 74 7.553 -9.523 4.826 1.00 0.00 O ATOM 1114 CB ILE A 74 8.100 -6.613 3.346 1.00 0.00 C ATOM 1115 CG1 ILE A 74 9.342 -7.351 2.828 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.389 -5.113 3.486 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.611 -6.988 1.368 1.00 0.00 C ATOM 0 H ILE A 74 9.199 -8.245 5.461 1.00 0.00 H new ATOM 0 HA ILE A 74 6.904 -6.422 5.093 1.00 0.00 H new ATOM 0 HB ILE A 74 7.313 -6.782 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.207 -7.092 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.197 -8.427 2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.737 -4.719 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.478 -4.593 3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.158 -4.960 4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.495 -7.520 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.752 -7.270 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.778 -5.914 1.285 1.00 0.00 H new ATOM 1129 N PRO A 75 5.617 -8.576 4.199 1.00 0.00 N ATOM 1130 CA PRO A 75 4.733 -7.478 3.829 1.00 0.00 C ATOM 1131 C PRO A 75 4.411 -6.553 4.999 1.00 0.00 C ATOM 1132 O PRO A 75 4.536 -6.921 6.164 1.00 0.00 O ATOM 1133 CB PRO A 75 3.447 -8.134 3.321 1.00 0.00 C ATOM 1134 CG PRO A 75 3.411 -9.456 4.089 1.00 0.00 C ATOM 1135 CD PRO A 75 4.887 -9.833 4.189 1.00 0.00 C ATOM 0 HA PRO A 75 5.217 -6.852 3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.571 -7.521 3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.474 -8.294 2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.956 -9.339 5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.835 -10.215 3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.084 -10.407 5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.190 -10.454 3.346 1.00 0.00 H new ATOM 1143 N THR A 76 4.050 -5.322 4.657 1.00 0.00 N ATOM 1144 CA THR A 76 3.629 -4.274 5.567 1.00 0.00 C ATOM 1145 C THR A 76 2.878 -3.290 4.680 1.00 0.00 C ATOM 1146 O THR A 76 3.449 -2.750 3.734 1.00 0.00 O ATOM 1147 CB THR A 76 4.825 -3.648 6.305 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.281 -4.536 7.305 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.430 -2.348 7.010 1.00 0.00 C ATOM 0 H THR A 76 4.044 -5.016 3.684 1.00 0.00 H new ATOM 0 HA THR A 76 2.994 -4.639 6.374 1.00 0.00 H new ATOM 0 HB THR A 76 5.595 -3.447 5.561 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.025 -5.452 7.070 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.299 -1.933 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.065 -1.631 6.274 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.645 -2.553 7.737 1.00 0.00 H new ATOM 1157 N ILE A 77 1.583 -3.133 4.929 1.00 0.00 N ATOM 1158 CA ILE A 77 0.708 -2.266 4.165 1.00 0.00 C ATOM 1159 C ILE A 77 0.567 -0.961 4.941 1.00 0.00 C ATOM 1160 O ILE A 77 0.635 -0.981 6.165 1.00 0.00 O ATOM 1161 CB ILE A 77 -0.644 -2.975 3.956 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.441 -4.225 3.076 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -1.660 -2.022 3.308 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -1.670 -5.141 3.036 1.00 0.00 C ATOM 0 H ILE A 77 1.105 -3.619 5.688 1.00 0.00 H new ATOM 0 HA ILE A 77 1.110 -2.044 3.177 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.038 -3.280 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.196 -3.911 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.413 -4.790 3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.608 -2.541 3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.811 -1.157 3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.282 -1.690 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.462 -6.002 2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.902 -5.483 4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.521 -4.591 2.635 1.00 0.00 H new ATOM 1176 N MET A 78 0.391 0.167 4.255 1.00 0.00 N ATOM 1177 CA MET A 78 0.133 1.458 4.871 1.00 0.00 C ATOM 1178 C MET A 78 -0.975 2.143 4.088 1.00 0.00 C ATOM 1179 O MET A 78 -0.945 2.162 2.856 1.00 0.00 O ATOM 1180 CB MET A 78 1.385 2.331 4.881 1.00 0.00 C ATOM 1181 CG MET A 78 2.438 1.809 5.856 1.00 0.00 C ATOM 1182 SD MET A 78 3.837 2.932 6.091 1.00 0.00 S ATOM 1183 CE MET A 78 4.919 1.834 7.025 1.00 0.00 C ATOM 0 H MET A 78 0.425 0.205 3.236 1.00 0.00 H new ATOM 0 HA MET A 78 -0.166 1.308 5.908 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.808 2.370 3.877 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.114 3.351 5.152 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.966 1.625 6.821 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.810 0.850 5.495 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.907 2.285 7.113 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.504 1.674 8.020 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.001 0.878 6.508 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.956 2.680 4.810 1.00 0.00 N ATOM 1194 CA VAL A 79 -3.077 3.400 4.231 1.00 0.00 C ATOM 1195 C VAL A 79 -2.792 4.889 4.354 1.00 0.00 C ATOM 1196 O VAL A 79 -2.298 5.325 5.392 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.377 3.034 4.969 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.554 3.943 4.559 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.717 1.564 4.698 1.00 0.00 C ATOM 0 H VAL A 79 -1.991 2.624 5.828 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.202 3.131 3.182 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.215 3.187 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.450 3.647 5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.312 4.980 4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.733 3.845 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.637 1.301 5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.851 1.413 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.905 0.931 5.055 1.00 0.00 H new ATOM 1209 N PHE A 80 -3.126 5.658 3.315 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.992 7.104 3.282 1.00 0.00 C ATOM 1211 C PHE A 80 -4.295 7.675 2.746 1.00 0.00 C ATOM 1212 O PHE A 80 -4.922 7.059 1.886 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.826 7.541 2.389 1.00 0.00 C ATOM 1214 CG PHE A 80 -0.481 6.932 2.729 1.00 0.00 C ATOM 1215 CD1 PHE A 80 -0.221 5.587 2.414 1.00 0.00 C ATOM 1216 CD2 PHE A 80 0.538 7.723 3.290 1.00 0.00 C ATOM 1217 CE1 PHE A 80 1.000 5.004 2.781 1.00 0.00 C ATOM 1218 CE2 PHE A 80 1.762 7.138 3.656 1.00 0.00 C ATOM 1219 CZ PHE A 80 1.975 5.765 3.446 1.00 0.00 C ATOM 0 H PHE A 80 -3.508 5.274 2.451 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.785 7.472 4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.068 7.290 1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.738 8.626 2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.962 5.003 1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.379 8.781 3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.191 3.966 2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.539 7.744 4.099 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.884 5.297 3.794 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.697 8.837 3.257 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.916 9.530 2.884 1.00 0.00 C ATOM 1231 C LYS A 81 -5.678 11.010 3.154 1.00 0.00 C ATOM 1232 O LYS A 81 -5.060 11.364 4.155 1.00 0.00 O ATOM 1233 CB LYS A 81 -7.138 8.941 3.612 1.00 0.00 C ATOM 1234 CG LYS A 81 -6.924 8.382 5.030 1.00 0.00 C ATOM 1235 CD LYS A 81 -6.667 9.462 6.092 1.00 0.00 C ATOM 1236 CE LYS A 81 -5.237 9.469 6.654 1.00 0.00 C ATOM 1237 NZ LYS A 81 -4.731 10.826 6.909 1.00 0.00 N ATOM 0 H LYS A 81 -4.160 9.335 3.967 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.152 9.400 1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.901 9.717 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.543 8.140 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.802 7.804 5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.080 7.693 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.879 10.439 5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.368 9.320 6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.213 8.897 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.573 8.965 5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.770 10.770 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.709 11.362 6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.355 11.308 7.587 1.00 0.00 H new ATOM 1251 N GLY A 82 -6.098 11.880 2.232 1.00 0.00 N ATOM 1252 CA GLY A 82 -5.749 13.289 2.329 1.00 0.00 C ATOM 1253 C GLY A 82 -4.222 13.393 2.299 1.00 0.00 C ATOM 1254 O GLY A 82 -3.609 14.063 3.130 1.00 0.00 O ATOM 0 H GLY A 82 -6.671 11.634 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.187 13.849 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.144 13.718 3.250 1.00 0.00 H new ATOM 1258 N GLY A 83 -3.600 12.671 1.362 1.00 0.00 N ATOM 1259 CA GLY A 83 -2.160 12.638 1.189 1.00 0.00 C ATOM 1260 C GLY A 83 -1.425 11.812 2.246 1.00 0.00 C ATOM 1261 O GLY A 83 -0.728 10.851 1.926 1.00 0.00 O ATOM 0 H GLY A 83 -4.101 12.085 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.932 12.233 0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.778 13.659 1.210 1.00 0.00 H new ATOM 1265 N LYS A 84 -1.567 12.188 3.514 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.817 11.594 4.615 1.00 0.00 C ATOM 1267 C LYS A 84 -1.406 10.270 5.110 1.00 0.00 C ATOM 1268 O LYS A 84 -2.497 9.860 4.720 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.662 12.640 5.728 1.00 0.00 C ATOM 1270 CG LYS A 84 -0.091 13.969 5.196 1.00 0.00 C ATOM 1271 CD LYS A 84 1.275 13.810 4.500 1.00 0.00 C ATOM 1272 CE LYS A 84 1.737 15.124 3.860 1.00 0.00 C ATOM 1273 NZ LYS A 84 0.900 15.489 2.700 1.00 0.00 N ATOM 0 H LYS A 84 -2.213 12.921 3.808 1.00 0.00 H new ATOM 0 HA LYS A 84 0.172 11.316 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.631 12.822 6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.005 12.248 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.800 14.406 4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.010 14.670 6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.017 13.477 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.207 13.036 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.700 15.923 4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.776 15.030 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.338 16.284 2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.818 14.673 2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.046 15.768 3.029 1.00 0.00 H new ATOM 1287 N LYS A 85 -0.615 9.583 5.941 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.867 8.246 6.461 1.00 0.00 C ATOM 1289 C LYS A 85 -2.058 8.194 7.426 1.00 0.00 C ATOM 1290 O LYS A 85 -2.411 9.191 8.054 1.00 0.00 O ATOM 1291 CB LYS A 85 0.422 7.762 7.146 1.00 0.00 C ATOM 1292 CG LYS A 85 0.362 6.290 7.573 1.00 0.00 C ATOM 1293 CD LYS A 85 1.718 5.830 8.113 1.00 0.00 C ATOM 1294 CE LYS A 85 1.576 4.424 8.700 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.845 3.950 9.277 1.00 0.00 N ATOM 0 H LYS A 85 0.264 9.971 6.284 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.138 7.590 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.262 7.903 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.614 8.381 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.404 6.159 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.074 5.671 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.460 5.830 7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.072 6.522 8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.804 4.426 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.249 3.735 7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.723 2.981 9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.584 3.958 8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.126 4.576 10.059 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.656 7.003 7.532 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.738 6.644 8.438 1.00 0.00 C ATOM 1311 C CYS A 86 -3.255 5.571 9.417 1.00 0.00 C ATOM 1312 O CYS A 86 -3.037 5.858 10.591 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.934 6.105 7.646 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.227 5.637 8.816 1.00 0.00 S ATOM 0 H CYS A 86 -2.374 6.217 6.946 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.045 7.533 8.989 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.304 6.862 6.955 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.636 5.245 7.046 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.627 4.427 8.560 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.075 4.340 8.923 1.00 0.00 N ATOM 1321 CA GLU A 87 -2.695 3.169 9.700 1.00 0.00 C ATOM 1322 C GLU A 87 -1.808 2.245 8.865 1.00 0.00 C ATOM 1323 O GLU A 87 -1.637 2.460 7.663 1.00 0.00 O ATOM 1324 CB GLU A 87 -3.968 2.421 10.137 1.00 0.00 C ATOM 1325 CG GLU A 87 -4.717 3.125 11.277 1.00 0.00 C ATOM 1326 CD GLU A 87 -3.928 3.167 12.586 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -2.980 2.360 12.714 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -4.305 3.991 13.446 1.00 0.00 O ATOM 0 H GLU A 87 -3.196 4.131 7.932 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.134 3.485 10.580 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.635 2.319 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.700 1.413 10.454 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.954 4.144 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.665 2.615 11.449 1.00 0.00 H new ATOM 1335 N THR A 88 -1.263 1.221 9.530 1.00 0.00 N ATOM 1336 CA THR A 88 -0.393 0.190 8.978 1.00 0.00 C ATOM 1337 C THR A 88 -1.105 -1.162 9.104 1.00 0.00 C ATOM 1338 O THR A 88 -1.842 -1.359 10.067 1.00 0.00 O ATOM 1339 CB THR A 88 0.928 0.188 9.767 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.431 1.507 9.845 1.00 0.00 O ATOM 1341 CG2 THR A 88 2.002 -0.692 9.123 1.00 0.00 C ATOM 0 H THR A 88 -1.431 1.086 10.527 1.00 0.00 H new ATOM 0 HA THR A 88 -0.174 0.380 7.927 1.00 0.00 H new ATOM 0 HB THR A 88 0.704 -0.216 10.754 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.857 1.644 10.717 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.911 -0.654 9.723 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.645 -1.721 9.069 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.215 -0.329 8.118 1.00 0.00 H new ATOM 1349 N ILE A 89 -0.907 -2.085 8.163 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.476 -3.430 8.173 1.00 0.00 C ATOM 1351 C ILE A 89 -0.374 -4.385 7.698 1.00 0.00 C ATOM 1352 O ILE A 89 0.756 -3.951 7.475 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.752 -3.534 7.295 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.360 -2.168 6.910 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.790 -4.370 8.060 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.539 -2.299 5.940 1.00 0.00 C ATOM 0 H ILE A 89 -0.325 -1.909 7.344 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.802 -3.694 9.179 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.466 -4.005 6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.692 -1.655 7.813 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.588 -1.546 6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.698 -4.458 7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.386 -5.363 8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.024 -3.882 9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.927 -1.308 5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.204 -2.786 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.325 -2.896 6.402 1.00 0.00 H new ATOM 1368 N ILE A 90 -0.680 -5.674 7.532 1.00 0.00 N ATOM 1369 CA ILE A 90 0.261 -6.702 7.102 1.00 0.00 C ATOM 1370 C ILE A 90 -0.432 -7.521 6.011 1.00 0.00 C ATOM 1371 O ILE A 90 -1.661 -7.559 5.962 1.00 0.00 O ATOM 1372 CB ILE A 90 0.683 -7.559 8.320 1.00 0.00 C ATOM 1373 CG1 ILE A 90 1.346 -6.657 9.383 1.00 0.00 C ATOM 1374 CG2 ILE A 90 1.656 -8.675 7.907 1.00 0.00 C ATOM 1375 CD1 ILE A 90 1.824 -7.410 10.629 1.00 0.00 C ATOM 0 H ILE A 90 -1.618 -6.038 7.699 1.00 0.00 H new ATOM 0 HA ILE A 90 1.177 -6.276 6.693 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.211 -8.025 8.735 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.196 -6.146 8.932 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.636 -5.888 9.686 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.933 -9.259 8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.175 -9.325 7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.550 -8.234 7.467 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.278 -6.707 11.327 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.975 -7.899 11.107 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.560 -8.161 10.341 1.00 0.00 H new ATOM 1387 N GLY A 91 0.356 -8.119 5.111 1.00 0.00 N ATOM 1388 CA GLY A 91 -0.138 -8.976 4.042 1.00 0.00 C ATOM 1389 C GLY A 91 -0.501 -10.361 4.584 1.00 0.00 C ATOM 1390 O GLY A 91 -0.803 -10.505 5.765 1.00 0.00 O ATOM 0 H GLY A 91 1.371 -8.016 5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.013 -8.520 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.621 -9.071 3.265 1.00 0.00 H new ATOM 1394 N ALA A 92 -0.445 -11.393 3.731 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.807 -12.764 4.084 1.00 0.00 C ATOM 1396 C ALA A 92 -2.198 -12.838 4.740 1.00 0.00 C ATOM 1397 O ALA A 92 -2.395 -13.575 5.703 1.00 0.00 O ATOM 1398 CB ALA A 92 0.281 -13.368 4.984 1.00 0.00 C ATOM 0 H ALA A 92 -0.142 -11.292 2.762 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.870 -13.354 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.010 -14.391 5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.233 -13.370 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.374 -12.773 5.892 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.169 -12.094 4.197 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.556 -12.065 4.650 1.00 0.00 C ATOM 1406 C VAL A 93 -5.445 -11.975 3.405 1.00 0.00 C ATOM 1407 O VAL A 93 -4.982 -11.473 2.380 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.808 -10.873 5.594 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -4.128 -11.067 6.953 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -4.383 -9.533 4.979 1.00 0.00 C ATOM 0 H VAL A 93 -3.000 -11.476 3.403 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.786 -12.967 5.217 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.887 -10.840 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.331 -10.204 7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.517 -11.967 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.052 -11.168 6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.583 -8.728 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.318 -9.559 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.946 -9.358 4.062 1.00 0.00 H new ATOM 1420 N PRO A 94 -6.696 -12.462 3.454 1.00 0.00 N ATOM 1421 CA PRO A 94 -7.581 -12.432 2.304 1.00 0.00 C ATOM 1422 C PRO A 94 -8.171 -11.040 2.082 1.00 0.00 C ATOM 1423 O PRO A 94 -8.239 -10.210 2.991 1.00 0.00 O ATOM 1424 CB PRO A 94 -8.675 -13.457 2.597 1.00 0.00 C ATOM 1425 CG PRO A 94 -8.760 -13.446 4.124 1.00 0.00 C ATOM 1426 CD PRO A 94 -7.328 -13.141 4.574 1.00 0.00 C ATOM 0 HA PRO A 94 -7.043 -12.672 1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.623 -13.177 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.415 -14.444 2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.459 -12.689 4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.104 -14.405 4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.324 -12.513 5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.794 -14.057 4.827 1.00 0.00 H new ATOM 1434 N LYS A 95 -8.648 -10.821 0.854 1.00 0.00 N ATOM 1435 CA LYS A 95 -9.224 -9.561 0.421 1.00 0.00 C ATOM 1436 C LYS A 95 -10.286 -9.063 1.389 1.00 0.00 C ATOM 1437 O LYS A 95 -10.301 -7.886 1.719 1.00 0.00 O ATOM 1438 CB LYS A 95 -9.808 -9.678 -0.995 1.00 0.00 C ATOM 1439 CG LYS A 95 -10.840 -10.796 -1.215 1.00 0.00 C ATOM 1440 CD LYS A 95 -11.223 -10.921 -2.698 1.00 0.00 C ATOM 1441 CE LYS A 95 -11.918 -9.664 -3.239 1.00 0.00 C ATOM 1442 NZ LYS A 95 -12.409 -9.874 -4.612 1.00 0.00 N ATOM 0 H LYS A 95 -8.641 -11.533 0.124 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.416 -8.830 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.274 -8.727 -1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.985 -9.830 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.433 -11.743 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.732 -10.591 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.326 -11.116 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.882 -11.780 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.752 -9.398 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.222 -8.825 -3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.904 -9.019 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.605 -10.071 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.065 -10.681 -4.626 1.00 0.00 H new ATOM 1456 N ALA A 96 -11.161 -9.951 1.858 1.00 0.00 N ATOM 1457 CA ALA A 96 -12.210 -9.612 2.811 1.00 0.00 C ATOM 1458 C ALA A 96 -11.639 -8.850 4.013 1.00 0.00 C ATOM 1459 O ALA A 96 -12.221 -7.861 4.462 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.905 -10.896 3.273 1.00 0.00 C ATOM 0 H ALA A 96 -11.160 -10.933 1.583 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.934 -8.961 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.691 -10.648 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.342 -11.403 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.177 -11.553 3.749 1.00 0.00 H new ATOM 1466 N THR A 97 -10.512 -9.315 4.556 1.00 0.00 N ATOM 1467 CA THR A 97 -9.872 -8.689 5.699 1.00 0.00 C ATOM 1468 C THR A 97 -9.369 -7.301 5.303 1.00 0.00 C ATOM 1469 O THR A 97 -9.664 -6.319 5.983 1.00 0.00 O ATOM 1470 CB THR A 97 -8.732 -9.596 6.183 1.00 0.00 C ATOM 1471 OG1 THR A 97 -9.229 -10.910 6.330 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.160 -9.138 7.526 1.00 0.00 C ATOM 0 H THR A 97 -10.021 -10.139 4.209 1.00 0.00 H new ATOM 0 HA THR A 97 -10.579 -8.561 6.519 1.00 0.00 H new ATOM 0 HB THR A 97 -7.933 -9.552 5.443 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.636 -11.420 6.921 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.357 -9.810 7.828 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.769 -8.125 7.428 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.947 -9.152 8.280 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.623 -7.222 4.198 1.00 0.00 N ATOM 1481 CA ILE A 98 -8.057 -5.972 3.698 1.00 0.00 C ATOM 1482 C ILE A 98 -9.178 -4.945 3.502 1.00 0.00 C ATOM 1483 O ILE A 98 -9.109 -3.836 4.028 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.260 -6.246 2.404 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -6.096 -7.212 2.694 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.717 -4.919 1.844 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -5.311 -7.620 1.442 1.00 0.00 C ATOM 0 H ILE A 98 -8.394 -8.032 3.622 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.358 -5.551 4.421 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.919 -6.705 1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.414 -6.743 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.489 -8.108 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.154 -5.113 0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.549 -4.250 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.063 -4.454 2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.507 -8.301 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.979 -8.118 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.887 -6.732 0.973 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.217 -5.333 2.763 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.389 -4.529 2.472 1.00 0.00 C ATOM 1501 C VAL A 99 -11.994 -4.014 3.777 1.00 0.00 C ATOM 1502 O VAL A 99 -12.095 -2.805 3.959 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.383 -5.363 1.644 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.768 -4.711 1.588 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.863 -5.513 0.206 1.00 0.00 C ATOM 0 H VAL A 99 -10.260 -6.258 2.335 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.120 -3.656 1.877 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.472 -6.335 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.439 -5.332 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.165 -4.612 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.688 -3.724 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.570 -6.104 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.755 -4.527 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.895 -6.014 0.219 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.376 -4.900 4.700 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.969 -4.464 5.962 1.00 0.00 C ATOM 1517 C GLN A 100 -12.049 -3.478 6.689 1.00 0.00 C ATOM 1518 O GLN A 100 -12.491 -2.422 7.143 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.252 -5.686 6.839 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.489 -6.427 6.323 1.00 0.00 C ATOM 1521 CD GLN A 100 -14.650 -7.774 7.012 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -15.523 -7.963 7.851 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -13.795 -8.725 6.657 1.00 0.00 N ATOM 0 H GLN A 100 -12.286 -5.911 4.598 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.906 -3.947 5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.390 -6.354 6.835 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.409 -5.374 7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.378 -5.820 6.494 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.405 -6.574 5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.081 -8.532 5.955 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.852 -9.648 7.086 1.00 0.00 H new ATOM 1532 N THR A 101 -10.764 -3.819 6.788 1.00 0.00 N ATOM 1533 CA THR A 101 -9.794 -2.993 7.491 1.00 0.00 C ATOM 1534 C THR A 101 -9.675 -1.605 6.855 1.00 0.00 C ATOM 1535 O THR A 101 -9.632 -0.610 7.574 1.00 0.00 O ATOM 1536 CB THR A 101 -8.439 -3.712 7.555 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.609 -4.993 8.127 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.453 -2.944 8.436 1.00 0.00 C ATOM 0 H THR A 101 -10.372 -4.670 6.385 1.00 0.00 H new ATOM 0 HA THR A 101 -10.144 -2.839 8.512 1.00 0.00 H new ATOM 0 HB THR A 101 -8.052 -3.781 6.539 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.978 -5.605 7.456 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.501 -3.474 8.465 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.300 -1.946 8.026 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.854 -2.864 9.446 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.617 -1.506 5.524 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.479 -0.203 4.884 1.00 0.00 C ATOM 1548 C VAL A 102 -10.792 0.570 4.994 1.00 0.00 C ATOM 1549 O VAL A 102 -10.795 1.739 5.379 1.00 0.00 O ATOM 1550 CB VAL A 102 -8.946 -0.369 3.450 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.968 -0.678 2.355 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.147 0.872 3.042 1.00 0.00 C ATOM 0 H VAL A 102 -9.663 -2.298 4.883 1.00 0.00 H new ATOM 0 HA VAL A 102 -8.735 0.404 5.400 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.329 -1.265 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.458 -0.769 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.477 -1.614 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.699 0.129 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.773 0.746 2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.791 1.750 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.307 1.004 3.724 1.00 0.00 H new ATOM 1562 N GLU A 103 -11.908 -0.102 4.706 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.249 0.459 4.807 1.00 0.00 C ATOM 1564 C GLU A 103 -13.469 1.093 6.179 1.00 0.00 C ATOM 1565 O GLU A 103 -13.983 2.201 6.271 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.297 -0.628 4.566 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.472 -0.952 3.078 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.540 -2.019 2.856 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.693 -2.882 3.748 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -16.170 -1.975 1.776 1.00 0.00 O ATOM 0 H GLU A 103 -11.901 -1.072 4.390 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.352 1.232 4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.007 -1.533 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.253 -0.306 4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.745 -0.046 2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.523 -1.295 2.666 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.071 0.393 7.243 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.157 0.904 8.607 1.00 0.00 C ATOM 1579 C LYS A 104 -12.582 2.322 8.681 1.00 0.00 C ATOM 1580 O LYS A 104 -13.147 3.183 9.353 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.390 -0.040 9.547 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.200 0.498 10.976 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.055 -0.201 11.723 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.372 -1.638 12.162 1.00 0.00 C ATOM 1585 NZ LYS A 104 -11.204 -2.612 11.069 1.00 0.00 N ATOM 0 H LYS A 104 -12.679 -0.547 7.180 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.202 0.947 8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.920 -0.991 9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.410 -0.244 9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.001 1.569 10.934 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.126 0.368 11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.174 -0.215 11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.799 0.388 12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.721 -1.913 12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.397 -1.684 12.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.942 -3.537 11.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.097 -2.701 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.454 -2.286 10.426 1.00 0.00 H new ATOM 1599 N TYR A 105 -11.431 2.550 8.044 1.00 0.00 N ATOM 1600 CA TYR A 105 -10.778 3.846 8.081 1.00 0.00 C ATOM 1601 C TYR A 105 -11.452 4.818 7.106 1.00 0.00 C ATOM 1602 O TYR A 105 -11.605 5.995 7.422 1.00 0.00 O ATOM 1603 CB TYR A 105 -9.289 3.693 7.753 1.00 0.00 C ATOM 1604 CG TYR A 105 -8.549 2.523 8.374 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -8.674 2.242 9.748 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -7.593 1.831 7.609 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -7.874 1.248 10.340 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -6.793 0.839 8.200 1.00 0.00 C ATOM 1609 CZ TYR A 105 -6.944 0.538 9.562 1.00 0.00 C ATOM 1610 OH TYR A 105 -6.136 -0.397 10.135 1.00 0.00 O ATOM 0 H TYR A 105 -10.936 1.846 7.496 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.872 4.257 9.086 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.190 3.617 6.670 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -8.783 4.610 8.056 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.385 2.790 10.348 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -7.473 2.064 6.561 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.975 1.030 11.393 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.063 0.309 7.607 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.555 -0.791 9.451 1.00 0.00 H new