USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 16:sc= 0.671! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 17 THR OG1 : rot -22:sc= 0.163 USER MOD Single : A 19 MET CE :methyl -173:sc= -1.72 (180deg=-1.82) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -110:sc= -0.0307 USER MOD Single : A 28 GLN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 31 MET CE :methyl -154:sc= 0 (180deg=-0.91) USER MOD Single : A 33 ASN : amide:sc= -3.64! C(o=-3.6!,f=-8.9!) USER MOD Single : A 35 ASN : amide:sc= -3.83 K(o=-3.8,f=-4.9!) USER MOD Single : A 36 ASN : amide:sc= -4.07! C(o=-4.1!,f=-4.1!) USER MOD Single : A 42 ASN : amide:sc= -6.99! K(o=-7!,f=-2.4) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.421 K(o=-0.42,f=-3.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -155:sc= -0.66 (180deg=-1.93!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.945 7.293 27.148 1.00 0.00 N ATOM 2 CA GLY A 1 7.390 8.402 26.394 1.00 0.00 C ATOM 3 C GLY A 1 7.168 8.058 24.935 1.00 0.00 C ATOM 4 O GLY A 1 6.287 7.264 24.604 1.00 0.00 O ATOM 0 H1 GLY A 1 8.078 7.579 28.139 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.293 6.484 27.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.862 7.021 26.740 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.443 8.703 26.841 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.062 9.257 26.464 1.00 0.00 H new ATOM 8 N SER A 2 7.967 8.657 24.058 1.00 0.00 N ATOM 9 CA SER A 2 7.850 8.414 22.625 1.00 0.00 C ATOM 10 C SER A 2 9.211 8.513 21.944 1.00 0.00 C ATOM 11 O SER A 2 10.111 9.199 22.427 1.00 0.00 O ATOM 12 CB SER A 2 6.878 9.413 21.995 1.00 0.00 C ATOM 13 OG SER A 2 7.479 10.688 21.850 1.00 0.00 O ATOM 0 H SER A 2 8.703 9.315 24.315 1.00 0.00 H new ATOM 0 HA SER A 2 7.465 7.404 22.483 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.556 9.046 21.020 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.985 9.497 22.615 1.00 0.00 H new ATOM 0 HG SER A 2 6.838 11.308 21.444 1.00 0.00 H new ATOM 19 N SER A 3 9.354 7.821 20.818 1.00 0.00 N ATOM 20 CA SER A 3 10.606 7.827 20.071 1.00 0.00 C ATOM 21 C SER A 3 10.346 7.990 18.576 1.00 0.00 C ATOM 22 O SER A 3 9.199 8.036 18.135 1.00 0.00 O ATOM 23 CB SER A 3 11.383 6.535 20.327 1.00 0.00 C ATOM 24 OG SER A 3 11.806 6.453 21.677 1.00 0.00 O ATOM 0 H SER A 3 8.618 7.249 20.403 1.00 0.00 H new ATOM 0 HA SER A 3 11.201 8.674 20.413 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.756 5.676 20.086 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.250 6.492 19.668 1.00 0.00 H new ATOM 0 HG SER A 3 12.299 5.617 21.815 1.00 0.00 H new ATOM 30 N GLY A 4 11.423 8.076 17.800 1.00 0.00 N ATOM 31 CA GLY A 4 11.291 8.233 16.364 1.00 0.00 C ATOM 32 C GLY A 4 12.241 7.338 15.593 1.00 0.00 C ATOM 33 O GLY A 4 13.436 7.292 15.885 1.00 0.00 O ATOM 0 H GLY A 4 12.384 8.040 18.141 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.266 8.008 16.070 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.479 9.273 16.097 1.00 0.00 H new ATOM 37 N SER A 5 11.709 6.622 14.608 1.00 0.00 N ATOM 38 CA SER A 5 12.517 5.719 13.796 1.00 0.00 C ATOM 39 C SER A 5 12.013 5.684 12.357 1.00 0.00 C ATOM 40 O SER A 5 10.819 5.515 12.110 1.00 0.00 O ATOM 41 CB SER A 5 12.497 4.310 14.390 1.00 0.00 C ATOM 42 OG SER A 5 13.685 3.605 14.074 1.00 0.00 O ATOM 0 H SER A 5 10.722 6.649 14.353 1.00 0.00 H new ATOM 0 HA SER A 5 13.542 6.090 13.794 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.383 4.370 15.472 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.634 3.764 14.009 1.00 0.00 H new ATOM 0 HG SER A 5 13.647 2.708 14.467 1.00 0.00 H new ATOM 48 N SER A 6 12.932 5.845 11.410 1.00 0.00 N ATOM 49 CA SER A 6 12.582 5.836 9.995 1.00 0.00 C ATOM 50 C SER A 6 13.168 4.612 9.298 1.00 0.00 C ATOM 51 O SER A 6 14.383 4.424 9.267 1.00 0.00 O ATOM 52 CB SER A 6 13.082 7.112 9.315 1.00 0.00 C ATOM 53 OG SER A 6 14.492 7.095 9.175 1.00 0.00 O ATOM 0 H SER A 6 13.925 5.983 11.598 1.00 0.00 H new ATOM 0 HA SER A 6 11.496 5.793 9.916 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.617 7.212 8.334 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.782 7.981 9.900 1.00 0.00 H new ATOM 0 HG SER A 6 14.822 6.181 9.301 1.00 0.00 H new ATOM 59 N GLY A 7 12.293 3.780 8.740 1.00 0.00 N ATOM 60 CA GLY A 7 12.741 2.584 8.051 1.00 0.00 C ATOM 61 C GLY A 7 11.914 2.281 6.817 1.00 0.00 C ATOM 62 O GLY A 7 11.323 1.208 6.706 1.00 0.00 O ATOM 0 H GLY A 7 11.282 3.913 8.753 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.786 2.704 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.693 1.736 8.734 1.00 0.00 H new ATOM 66 N VAL A 8 11.871 3.231 5.888 1.00 0.00 N ATOM 67 CA VAL A 8 11.110 3.060 4.656 1.00 0.00 C ATOM 68 C VAL A 8 11.913 3.521 3.445 1.00 0.00 C ATOM 69 O VAL A 8 12.736 4.432 3.543 1.00 0.00 O ATOM 70 CB VAL A 8 9.782 3.840 4.704 1.00 0.00 C ATOM 71 CG1 VAL A 8 10.040 5.318 4.954 1.00 0.00 C ATOM 72 CG2 VAL A 8 8.999 3.638 3.416 1.00 0.00 C ATOM 0 H VAL A 8 12.354 4.126 5.965 1.00 0.00 H new ATOM 0 HA VAL A 8 10.895 1.996 4.562 1.00 0.00 H new ATOM 0 HB VAL A 8 9.184 3.455 5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.091 5.853 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.557 5.441 5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.657 5.720 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.064 4.196 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.589 3.995 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.782 2.578 3.284 1.00 0.00 H new ATOM 82 N ASP A 9 11.669 2.887 2.304 1.00 0.00 N ATOM 83 CA ASP A 9 12.369 3.233 1.072 1.00 0.00 C ATOM 84 C ASP A 9 11.552 4.218 0.241 1.00 0.00 C ATOM 85 O ASP A 9 10.663 3.822 -0.511 1.00 0.00 O ATOM 86 CB ASP A 9 12.658 1.973 0.253 1.00 0.00 C ATOM 87 CG ASP A 9 13.448 2.270 -1.006 1.00 0.00 C ATOM 88 OD1 ASP A 9 13.546 3.457 -1.379 1.00 0.00 O ATOM 89 OD2 ASP A 9 13.968 1.314 -1.619 1.00 0.00 O ATOM 0 H ASP A 9 10.992 2.131 2.206 1.00 0.00 H new ATOM 0 HA ASP A 9 13.313 3.707 1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.212 1.263 0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.717 1.494 -0.017 1.00 0.00 H new ATOM 94 N GLU A 10 11.861 5.503 0.385 1.00 0.00 N ATOM 95 CA GLU A 10 11.154 6.544 -0.351 1.00 0.00 C ATOM 96 C GLU A 10 10.877 6.104 -1.786 1.00 0.00 C ATOM 97 O GLU A 10 9.731 6.104 -2.237 1.00 0.00 O ATOM 98 CB GLU A 10 11.967 7.841 -0.353 1.00 0.00 C ATOM 99 CG GLU A 10 11.629 8.772 0.799 1.00 0.00 C ATOM 100 CD GLU A 10 12.144 10.181 0.581 1.00 0.00 C ATOM 101 OE1 GLU A 10 11.819 10.775 -0.469 1.00 0.00 O ATOM 102 OE2 GLU A 10 12.873 10.690 1.458 1.00 0.00 O ATOM 0 H GLU A 10 12.595 5.847 1.004 1.00 0.00 H new ATOM 0 HA GLU A 10 10.201 6.721 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.028 7.595 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.798 8.365 -1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.548 8.801 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.053 8.373 1.720 1.00 0.00 H new ATOM 109 N LYS A 11 11.934 5.730 -2.498 1.00 0.00 N ATOM 110 CA LYS A 11 11.806 5.286 -3.882 1.00 0.00 C ATOM 111 C LYS A 11 10.662 4.289 -4.030 1.00 0.00 C ATOM 112 O LYS A 11 9.866 4.378 -4.964 1.00 0.00 O ATOM 113 CB LYS A 11 13.115 4.651 -4.357 1.00 0.00 C ATOM 114 CG LYS A 11 14.156 5.663 -4.802 1.00 0.00 C ATOM 115 CD LYS A 11 14.580 6.567 -3.657 1.00 0.00 C ATOM 116 CE LYS A 11 15.353 5.798 -2.597 1.00 0.00 C ATOM 117 NZ LYS A 11 16.164 6.702 -1.736 1.00 0.00 N ATOM 0 H LYS A 11 12.889 5.725 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 11 11.586 6.157 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.530 4.047 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.901 3.974 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.028 5.140 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.753 6.268 -5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.197 7.378 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.699 7.023 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.656 5.235 -1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.008 5.073 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.676 6.139 -1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.847 7.221 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.537 7.378 -1.255 1.00 0.00 H new ATOM 131 N ALA A 12 10.585 3.341 -3.102 1.00 0.00 N ATOM 132 CA ALA A 12 9.535 2.330 -3.128 1.00 0.00 C ATOM 133 C ALA A 12 8.194 2.919 -2.705 1.00 0.00 C ATOM 134 O ALA A 12 7.146 2.550 -3.236 1.00 0.00 O ATOM 135 CB ALA A 12 9.907 1.160 -2.229 1.00 0.00 C ATOM 0 H ALA A 12 11.237 3.252 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 12 9.437 1.971 -4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.114 0.413 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.839 0.715 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.035 1.514 -1.206 1.00 0.00 H new ATOM 141 N LEU A 13 8.233 3.837 -1.745 1.00 0.00 N ATOM 142 CA LEU A 13 7.020 4.478 -1.249 1.00 0.00 C ATOM 143 C LEU A 13 6.300 5.222 -2.369 1.00 0.00 C ATOM 144 O LEU A 13 5.126 4.972 -2.642 1.00 0.00 O ATOM 145 CB LEU A 13 7.358 5.445 -0.114 1.00 0.00 C ATOM 146 CG LEU A 13 6.275 6.463 0.246 1.00 0.00 C ATOM 147 CD1 LEU A 13 5.329 5.888 1.289 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.902 7.755 0.747 1.00 0.00 C ATOM 0 H LEU A 13 9.092 4.154 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 13 6.357 3.700 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.590 4.861 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.264 5.988 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 13 5.700 6.687 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.565 6.626 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.853 4.990 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.890 5.635 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.116 8.467 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.502 7.549 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.538 8.176 -0.031 1.00 0.00 H new ATOM 160 N LYS A 14 7.013 6.137 -3.018 1.00 0.00 N ATOM 161 CA LYS A 14 6.445 6.916 -4.112 1.00 0.00 C ATOM 162 C LYS A 14 5.675 6.019 -5.076 1.00 0.00 C ATOM 163 O LYS A 14 4.481 6.216 -5.303 1.00 0.00 O ATOM 164 CB LYS A 14 7.552 7.660 -4.863 1.00 0.00 C ATOM 165 CG LYS A 14 7.069 8.352 -6.126 1.00 0.00 C ATOM 166 CD LYS A 14 7.122 7.423 -7.327 1.00 0.00 C ATOM 167 CE LYS A 14 7.209 8.201 -8.631 1.00 0.00 C ATOM 168 NZ LYS A 14 8.611 8.583 -8.956 1.00 0.00 N ATOM 0 H LYS A 14 7.986 6.357 -2.805 1.00 0.00 H new ATOM 0 HA LYS A 14 5.751 7.642 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.995 8.402 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.341 6.954 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.047 8.703 -5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.684 9.231 -6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.984 6.762 -7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.234 6.790 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.800 7.598 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.595 9.099 -8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.628 9.111 -9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.994 9.179 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.192 7.725 -9.049 1.00 0.00 H new ATOM 182 N HIS A 15 6.366 5.033 -5.639 1.00 0.00 N ATOM 183 CA HIS A 15 5.745 4.104 -6.577 1.00 0.00 C ATOM 184 C HIS A 15 4.333 3.741 -6.129 1.00 0.00 C ATOM 185 O HIS A 15 3.414 3.663 -6.944 1.00 0.00 O ATOM 186 CB HIS A 15 6.593 2.838 -6.710 1.00 0.00 C ATOM 187 CG HIS A 15 6.053 1.858 -7.705 1.00 0.00 C ATOM 188 ND1 HIS A 15 6.347 1.912 -9.051 1.00 0.00 N ATOM 189 CD2 HIS A 15 5.234 0.792 -7.543 1.00 0.00 C ATOM 190 CE1 HIS A 15 5.731 0.923 -9.675 1.00 0.00 C ATOM 191 NE2 HIS A 15 5.049 0.229 -8.782 1.00 0.00 N ATOM 0 H HIS A 15 7.355 4.857 -5.462 1.00 0.00 H new ATOM 0 HA HIS A 15 5.683 4.594 -7.548 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.606 3.118 -7.000 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.663 2.353 -5.736 1.00 0.00 H new ATOM 0 HD2 HIS A 15 4.806 0.448 -6.613 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.777 0.717 -10.734 1.00 0.00 H new ATOM 0 HE2 HIS A 15 4.477 -0.592 -8.980 1.00 0.00 H new ATOM 200 N ILE A 16 4.169 3.518 -4.829 1.00 0.00 N ATOM 201 CA ILE A 16 2.870 3.164 -4.273 1.00 0.00 C ATOM 202 C ILE A 16 1.942 4.373 -4.228 1.00 0.00 C ATOM 203 O ILE A 16 0.894 4.392 -4.874 1.00 0.00 O ATOM 204 CB ILE A 16 3.004 2.581 -2.854 1.00 0.00 C ATOM 205 CG1 ILE A 16 3.925 1.359 -2.866 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.636 2.214 -2.300 1.00 0.00 C ATOM 207 CD1 ILE A 16 4.659 1.143 -1.561 1.00 0.00 C ATOM 0 H ILE A 16 4.920 3.576 -4.142 1.00 0.00 H new ATOM 0 HA ILE A 16 2.443 2.406 -4.930 1.00 0.00 H new ATOM 0 HB ILE A 16 3.445 3.339 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.335 0.471 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.653 1.471 -3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.748 1.803 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.009 3.105 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.169 1.471 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.293 0.260 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.277 2.014 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.937 0.999 -0.757 1.00 0.00 H new ATOM 219 N THR A 17 2.336 5.386 -3.461 1.00 0.00 N ATOM 220 CA THR A 17 1.541 6.600 -3.331 1.00 0.00 C ATOM 221 C THR A 17 0.947 7.015 -4.673 1.00 0.00 C ATOM 222 O THR A 17 -0.202 7.447 -4.746 1.00 0.00 O ATOM 223 CB THR A 17 2.381 7.764 -2.773 1.00 0.00 C ATOM 224 OG1 THR A 17 3.524 7.987 -3.606 1.00 0.00 O ATOM 225 CG2 THR A 17 2.833 7.472 -1.350 1.00 0.00 C ATOM 0 H THR A 17 3.201 5.389 -2.921 1.00 0.00 H new ATOM 0 HA THR A 17 0.734 6.376 -2.633 1.00 0.00 H new ATOM 0 HB THR A 17 1.759 8.659 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.721 7.173 -4.116 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.425 8.308 -0.977 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.960 7.332 -0.712 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.439 6.566 -1.339 1.00 0.00 H new ATOM 233 N GLU A 18 1.739 6.879 -5.732 1.00 0.00 N ATOM 234 CA GLU A 18 1.290 7.240 -7.072 1.00 0.00 C ATOM 235 C GLU A 18 -0.067 6.613 -7.378 1.00 0.00 C ATOM 236 O GLU A 18 -0.955 7.267 -7.925 1.00 0.00 O ATOM 237 CB GLU A 18 2.317 6.795 -8.115 1.00 0.00 C ATOM 238 CG GLU A 18 3.608 7.595 -8.078 1.00 0.00 C ATOM 239 CD GLU A 18 3.492 8.925 -8.798 1.00 0.00 C ATOM 240 OE1 GLU A 18 3.723 8.959 -10.024 1.00 0.00 O ATOM 241 OE2 GLU A 18 3.169 9.932 -8.133 1.00 0.00 O ATOM 0 H GLU A 18 2.693 6.522 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 18 1.187 8.324 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.548 5.741 -7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.875 6.881 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.892 7.771 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.407 7.009 -8.532 1.00 0.00 H new ATOM 248 N MET A 19 -0.219 5.342 -7.022 1.00 0.00 N ATOM 249 CA MET A 19 -1.467 4.627 -7.258 1.00 0.00 C ATOM 250 C MET A 19 -2.639 5.345 -6.596 1.00 0.00 C ATOM 251 O MET A 19 -3.768 5.288 -7.081 1.00 0.00 O ATOM 252 CB MET A 19 -1.367 3.195 -6.730 1.00 0.00 C ATOM 253 CG MET A 19 -0.515 2.284 -7.599 1.00 0.00 C ATOM 254 SD MET A 19 -0.581 0.561 -7.073 1.00 0.00 S ATOM 255 CE MET A 19 0.992 -0.040 -7.683 1.00 0.00 C ATOM 0 H MET A 19 0.507 4.786 -6.569 1.00 0.00 H new ATOM 0 HA MET A 19 -1.642 4.598 -8.333 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.950 3.216 -5.723 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.370 2.775 -6.651 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.851 2.357 -8.633 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.519 2.628 -7.574 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.047 -1.120 -7.546 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.085 0.196 -8.743 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.802 0.437 -7.132 1.00 0.00 H new ATOM 265 N GLY A 20 -2.362 6.020 -5.485 1.00 0.00 N ATOM 266 CA GLY A 20 -3.404 6.739 -4.775 1.00 0.00 C ATOM 267 C GLY A 20 -3.553 6.275 -3.340 1.00 0.00 C ATOM 268 O GLY A 20 -4.665 6.027 -2.872 1.00 0.00 O ATOM 0 H GLY A 20 -1.435 6.082 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.179 7.805 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.352 6.608 -5.297 1.00 0.00 H new ATOM 272 N PHE A 21 -2.431 6.156 -2.638 1.00 0.00 N ATOM 273 CA PHE A 21 -2.441 5.716 -1.248 1.00 0.00 C ATOM 274 C PHE A 21 -1.880 6.798 -0.330 1.00 0.00 C ATOM 275 O PHE A 21 -0.910 7.474 -0.671 1.00 0.00 O ATOM 276 CB PHE A 21 -1.629 4.428 -1.092 1.00 0.00 C ATOM 277 CG PHE A 21 -2.359 3.200 -1.554 1.00 0.00 C ATOM 278 CD1 PHE A 21 -3.330 2.614 -0.758 1.00 0.00 C ATOM 279 CD2 PHE A 21 -2.073 2.629 -2.784 1.00 0.00 C ATOM 280 CE1 PHE A 21 -4.004 1.484 -1.179 1.00 0.00 C ATOM 281 CE2 PHE A 21 -2.744 1.499 -3.211 1.00 0.00 C ATOM 282 CZ PHE A 21 -3.710 0.925 -2.408 1.00 0.00 C ATOM 0 H PHE A 21 -1.503 6.358 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.475 5.522 -0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.701 4.523 -1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.355 4.305 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.563 3.046 0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.317 3.072 -3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.759 1.038 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.513 1.065 -4.173 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.234 0.041 -2.740 1.00 0.00 H new ATOM 292 N SER A 22 -2.500 6.957 0.835 1.00 0.00 N ATOM 293 CA SER A 22 -2.067 7.960 1.801 1.00 0.00 C ATOM 294 C SER A 22 -0.595 7.770 2.158 1.00 0.00 C ATOM 295 O SER A 22 -0.196 6.719 2.659 1.00 0.00 O ATOM 296 CB SER A 22 -2.924 7.885 3.066 1.00 0.00 C ATOM 297 OG SER A 22 -4.265 8.253 2.795 1.00 0.00 O ATOM 0 H SER A 22 -3.304 6.404 1.133 1.00 0.00 H new ATOM 0 HA SER A 22 -2.189 8.943 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.896 6.873 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.510 8.544 3.829 1.00 0.00 H new ATOM 0 HG SER A 22 -4.793 8.195 3.619 1.00 0.00 H new ATOM 303 N LYS A 23 0.207 8.796 1.896 1.00 0.00 N ATOM 304 CA LYS A 23 1.635 8.746 2.190 1.00 0.00 C ATOM 305 C LYS A 23 1.893 8.039 3.517 1.00 0.00 C ATOM 306 O LYS A 23 2.771 7.183 3.613 1.00 0.00 O ATOM 307 CB LYS A 23 2.218 10.160 2.231 1.00 0.00 C ATOM 308 CG LYS A 23 3.685 10.225 1.841 1.00 0.00 C ATOM 309 CD LYS A 23 4.119 11.648 1.536 1.00 0.00 C ATOM 310 CE LYS A 23 3.810 12.029 0.096 1.00 0.00 C ATOM 311 NZ LYS A 23 4.009 13.485 -0.147 1.00 0.00 N ATOM 0 H LYS A 23 -0.107 9.673 1.480 1.00 0.00 H new ATOM 0 HA LYS A 23 2.124 8.181 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.644 10.800 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.100 10.564 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.295 9.823 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.858 9.596 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.613 12.337 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.189 11.750 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.450 11.458 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.780 11.759 -0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.788 13.705 -1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.380 14.030 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.998 13.738 0.052 1.00 0.00 H new ATOM 325 N GLU A 24 1.120 8.404 4.536 1.00 0.00 N ATOM 326 CA GLU A 24 1.266 7.803 5.856 1.00 0.00 C ATOM 327 C GLU A 24 0.925 6.316 5.819 1.00 0.00 C ATOM 328 O GLU A 24 1.639 5.491 6.388 1.00 0.00 O ATOM 329 CB GLU A 24 0.368 8.518 6.868 1.00 0.00 C ATOM 330 CG GLU A 24 -1.108 8.476 6.509 1.00 0.00 C ATOM 331 CD GLU A 24 -1.868 9.683 7.021 1.00 0.00 C ATOM 332 OE1 GLU A 24 -2.171 9.722 8.232 1.00 0.00 O ATOM 333 OE2 GLU A 24 -2.160 10.588 6.212 1.00 0.00 O ATOM 0 H GLU A 24 0.388 9.111 4.472 1.00 0.00 H new ATOM 0 HA GLU A 24 2.306 7.911 6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.508 8.064 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.684 9.558 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.213 8.418 5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.552 7.570 6.921 1.00 0.00 H new ATOM 340 N ALA A 25 -0.171 5.984 5.145 1.00 0.00 N ATOM 341 CA ALA A 25 -0.606 4.597 5.031 1.00 0.00 C ATOM 342 C ALA A 25 0.476 3.732 4.393 1.00 0.00 C ATOM 343 O ALA A 25 0.801 2.657 4.897 1.00 0.00 O ATOM 344 CB ALA A 25 -1.894 4.513 4.226 1.00 0.00 C ATOM 0 H ALA A 25 -0.774 6.656 4.670 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.792 4.217 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.207 3.472 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.673 5.090 4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.726 4.916 3.227 1.00 0.00 H new ATOM 350 N SER A 26 1.029 4.208 3.283 1.00 0.00 N ATOM 351 CA SER A 26 2.072 3.476 2.573 1.00 0.00 C ATOM 352 C SER A 26 3.362 3.444 3.387 1.00 0.00 C ATOM 353 O SER A 26 3.859 2.375 3.740 1.00 0.00 O ATOM 354 CB SER A 26 2.333 4.113 1.207 1.00 0.00 C ATOM 355 OG SER A 26 2.305 5.528 1.290 1.00 0.00 O ATOM 0 H SER A 26 0.773 5.098 2.855 1.00 0.00 H new ATOM 0 HA SER A 26 1.728 2.452 2.428 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.302 3.787 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.582 3.772 0.494 1.00 0.00 H new ATOM 0 HG SER A 26 1.508 5.867 0.832 1.00 0.00 H new ATOM 361 N ARG A 27 3.899 4.624 3.680 1.00 0.00 N ATOM 362 CA ARG A 27 5.132 4.732 4.450 1.00 0.00 C ATOM 363 C ARG A 27 5.153 3.716 5.588 1.00 0.00 C ATOM 364 O ARG A 27 6.046 2.872 5.663 1.00 0.00 O ATOM 365 CB ARG A 27 5.285 6.146 5.012 1.00 0.00 C ATOM 366 CG ARG A 27 6.475 6.306 5.944 1.00 0.00 C ATOM 367 CD ARG A 27 6.652 7.753 6.380 1.00 0.00 C ATOM 368 NE ARG A 27 7.102 8.604 5.282 1.00 0.00 N ATOM 369 CZ ARG A 27 7.355 9.901 5.414 1.00 0.00 C ATOM 370 NH1 ARG A 27 7.203 10.493 6.591 1.00 0.00 N ATOM 371 NH2 ARG A 27 7.761 10.609 4.368 1.00 0.00 N ATOM 0 H ARG A 27 3.499 5.518 3.396 1.00 0.00 H new ATOM 0 HA ARG A 27 5.967 4.521 3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.386 6.848 4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.375 6.415 5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.338 5.675 6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.380 5.963 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.707 8.133 6.769 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.374 7.800 7.195 1.00 0.00 H new ATOM 0 HE ARG A 27 7.229 8.179 4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.891 9.952 7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.398 11.489 6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.879 10.157 3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.955 11.605 4.471 1.00 0.00 H new ATOM 385 N GLN A 28 4.164 3.805 6.472 1.00 0.00 N ATOM 386 CA GLN A 28 4.071 2.894 7.607 1.00 0.00 C ATOM 387 C GLN A 28 4.082 1.441 7.141 1.00 0.00 C ATOM 388 O GLN A 28 4.795 0.607 7.699 1.00 0.00 O ATOM 389 CB GLN A 28 2.799 3.174 8.409 1.00 0.00 C ATOM 390 CG GLN A 28 2.818 2.578 9.808 1.00 0.00 C ATOM 391 CD GLN A 28 3.495 3.483 10.818 1.00 0.00 C ATOM 392 OE1 GLN A 28 2.833 4.207 11.562 1.00 0.00 O ATOM 393 NE2 GLN A 28 4.822 3.446 10.851 1.00 0.00 N ATOM 0 H GLN A 28 3.417 4.498 6.424 1.00 0.00 H new ATOM 0 HA GLN A 28 4.939 3.059 8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.657 4.252 8.484 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.942 2.777 7.865 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.795 2.382 10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.334 1.618 9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.331 2.831 10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.332 4.033 11.511 1.00 0.00 H new ATOM 402 N ALA A 29 3.289 1.147 6.117 1.00 0.00 N ATOM 403 CA ALA A 29 3.209 -0.204 5.576 1.00 0.00 C ATOM 404 C ALA A 29 4.597 -0.748 5.252 1.00 0.00 C ATOM 405 O ALA A 29 5.057 -1.710 5.869 1.00 0.00 O ATOM 406 CB ALA A 29 2.330 -0.225 4.335 1.00 0.00 C ATOM 0 H ALA A 29 2.692 1.826 5.645 1.00 0.00 H new ATOM 0 HA ALA A 29 2.762 -0.847 6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.280 -1.240 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.327 0.114 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.753 0.436 3.579 1.00 0.00 H new ATOM 412 N LEU A 30 5.259 -0.128 4.282 1.00 0.00 N ATOM 413 CA LEU A 30 6.594 -0.551 3.876 1.00 0.00 C ATOM 414 C LEU A 30 7.453 -0.887 5.091 1.00 0.00 C ATOM 415 O LEU A 30 8.041 -1.965 5.169 1.00 0.00 O ATOM 416 CB LEU A 30 7.268 0.546 3.049 1.00 0.00 C ATOM 417 CG LEU A 30 6.885 0.603 1.570 1.00 0.00 C ATOM 418 CD1 LEU A 30 7.057 2.013 1.028 1.00 0.00 C ATOM 419 CD2 LEU A 30 7.716 -0.385 0.765 1.00 0.00 C ATOM 0 H LEU A 30 4.893 0.669 3.762 1.00 0.00 H new ATOM 0 HA LEU A 30 6.494 -1.449 3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.034 1.510 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.348 0.414 3.119 1.00 0.00 H new ATOM 0 HG LEU A 30 5.835 0.325 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.780 2.034 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.417 2.698 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.097 2.320 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.430 -0.330 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.773 -0.139 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.542 -1.395 1.137 1.00 0.00 H new ATOM 431 N MET A 31 7.517 0.043 6.039 1.00 0.00 N ATOM 432 CA MET A 31 8.300 -0.157 7.252 1.00 0.00 C ATOM 433 C MET A 31 7.977 -1.503 7.893 1.00 0.00 C ATOM 434 O MET A 31 8.874 -2.226 8.328 1.00 0.00 O ATOM 435 CB MET A 31 8.033 0.972 8.249 1.00 0.00 C ATOM 436 CG MET A 31 8.296 2.358 7.683 1.00 0.00 C ATOM 437 SD MET A 31 7.470 3.660 8.618 1.00 0.00 S ATOM 438 CE MET A 31 8.716 4.035 9.849 1.00 0.00 C ATOM 0 H MET A 31 7.036 0.941 5.990 1.00 0.00 H new ATOM 0 HA MET A 31 9.355 -0.149 6.978 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.996 0.915 8.581 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.658 0.823 9.129 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.370 2.546 7.677 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.961 2.392 6.646 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.237 4.443 10.739 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.254 3.124 10.112 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.417 4.766 9.446 1.00 0.00 H new ATOM 448 N ASP A 32 6.692 -1.834 7.948 1.00 0.00 N ATOM 449 CA ASP A 32 6.250 -3.094 8.534 1.00 0.00 C ATOM 450 C ASP A 32 6.681 -4.275 7.671 1.00 0.00 C ATOM 451 O ASP A 32 7.055 -5.329 8.185 1.00 0.00 O ATOM 452 CB ASP A 32 4.730 -3.097 8.704 1.00 0.00 C ATOM 453 CG ASP A 32 4.279 -3.970 9.859 1.00 0.00 C ATOM 454 OD1 ASP A 32 5.091 -4.204 10.778 1.00 0.00 O ATOM 455 OD2 ASP A 32 3.114 -4.420 9.843 1.00 0.00 O ATOM 0 H ASP A 32 5.937 -1.247 7.594 1.00 0.00 H new ATOM 0 HA ASP A 32 6.717 -3.194 9.514 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.383 -2.076 8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.265 -3.449 7.783 1.00 0.00 H new ATOM 460 N ASN A 33 6.625 -4.092 6.356 1.00 0.00 N ATOM 461 CA ASN A 33 7.007 -5.144 5.421 1.00 0.00 C ATOM 462 C ASN A 33 8.482 -5.030 5.047 1.00 0.00 C ATOM 463 O ASN A 33 8.882 -5.390 3.941 1.00 0.00 O ATOM 464 CB ASN A 33 6.143 -5.074 4.160 1.00 0.00 C ATOM 465 CG ASN A 33 4.661 -5.016 4.478 1.00 0.00 C ATOM 466 OD1 ASN A 33 4.012 -6.047 4.652 1.00 0.00 O ATOM 467 ND2 ASN A 33 4.119 -3.806 4.553 1.00 0.00 N ATOM 0 H ASN A 33 6.319 -3.225 5.914 1.00 0.00 H new ATOM 0 HA ASN A 33 6.847 -6.105 5.910 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.422 -4.195 3.580 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.344 -5.945 3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.126 -3.704 4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.696 -2.979 4.401 1.00 0.00 H new ATOM 474 N GLY A 34 9.286 -4.525 5.978 1.00 0.00 N ATOM 475 CA GLY A 34 10.707 -4.372 5.728 1.00 0.00 C ATOM 476 C GLY A 34 10.993 -3.705 4.397 1.00 0.00 C ATOM 477 O GLY A 34 11.729 -4.243 3.571 1.00 0.00 O ATOM 0 H GLY A 34 8.978 -4.219 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.152 -3.783 6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.184 -5.352 5.750 1.00 0.00 H new ATOM 481 N ASN A 35 10.407 -2.530 4.187 1.00 0.00 N ATOM 482 CA ASN A 35 10.601 -1.790 2.946 1.00 0.00 C ATOM 483 C ASN A 35 10.313 -2.673 1.735 1.00 0.00 C ATOM 484 O ASN A 35 11.096 -2.719 0.787 1.00 0.00 O ATOM 485 CB ASN A 35 12.030 -1.249 2.868 1.00 0.00 C ATOM 486 CG ASN A 35 12.470 -0.590 4.161 1.00 0.00 C ATOM 487 OD1 ASN A 35 12.491 -1.223 5.217 1.00 0.00 O ATOM 488 ND2 ASN A 35 12.824 0.687 4.084 1.00 0.00 N ATOM 0 H ASN A 35 9.794 -2.071 4.861 1.00 0.00 H new ATOM 0 HA ASN A 35 9.902 -0.954 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.712 -2.065 2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.098 -0.527 2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.129 1.183 4.921 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.791 1.172 3.187 1.00 0.00 H new ATOM 495 N ASN A 36 9.184 -3.373 1.775 1.00 0.00 N ATOM 496 CA ASN A 36 8.792 -4.255 0.682 1.00 0.00 C ATOM 497 C ASN A 36 7.937 -3.509 -0.338 1.00 0.00 C ATOM 498 O ASN A 36 6.751 -3.265 -0.110 1.00 0.00 O ATOM 499 CB ASN A 36 8.024 -5.462 1.223 1.00 0.00 C ATOM 500 CG ASN A 36 8.945 -6.582 1.666 1.00 0.00 C ATOM 501 OD1 ASN A 36 10.162 -6.409 1.735 1.00 0.00 O ATOM 502 ND2 ASN A 36 8.367 -7.739 1.968 1.00 0.00 N ATOM 0 H ASN A 36 8.524 -3.347 2.553 1.00 0.00 H new ATOM 0 HA ASN A 36 9.698 -4.603 0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.406 -5.149 2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.348 -5.834 0.453 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.936 -8.529 2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.354 -7.837 1.896 1.00 0.00 H new ATOM 509 N LEU A 37 8.545 -3.151 -1.464 1.00 0.00 N ATOM 510 CA LEU A 37 7.840 -2.434 -2.520 1.00 0.00 C ATOM 511 C LEU A 37 6.480 -3.069 -2.795 1.00 0.00 C ATOM 512 O LEU A 37 5.447 -2.408 -2.702 1.00 0.00 O ATOM 513 CB LEU A 37 8.677 -2.420 -3.801 1.00 0.00 C ATOM 514 CG LEU A 37 7.980 -1.885 -5.052 1.00 0.00 C ATOM 515 CD1 LEU A 37 7.664 -0.406 -4.896 1.00 0.00 C ATOM 516 CD2 LEU A 37 8.841 -2.121 -6.284 1.00 0.00 C ATOM 0 H LEU A 37 9.525 -3.346 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 37 7.681 -1.409 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.569 -1.820 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.012 -3.437 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 37 7.041 -2.424 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.168 -0.043 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.008 -0.263 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.589 0.149 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.329 -1.734 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.796 -1.609 -6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.016 -3.190 -6.406 1.00 0.00 H new ATOM 528 N GLU A 38 6.490 -4.355 -3.131 1.00 0.00 N ATOM 529 CA GLU A 38 5.256 -5.078 -3.418 1.00 0.00 C ATOM 530 C GLU A 38 4.463 -5.328 -2.139 1.00 0.00 C ATOM 531 O GLU A 38 3.383 -4.768 -1.946 1.00 0.00 O ATOM 532 CB GLU A 38 5.567 -6.409 -4.106 1.00 0.00 C ATOM 533 CG GLU A 38 5.622 -6.312 -5.621 1.00 0.00 C ATOM 534 CD GLU A 38 6.563 -7.329 -6.237 1.00 0.00 C ATOM 535 OE1 GLU A 38 7.566 -7.683 -5.583 1.00 0.00 O ATOM 536 OE2 GLU A 38 6.295 -7.773 -7.374 1.00 0.00 O ATOM 0 H GLU A 38 7.337 -4.917 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 38 4.652 -4.464 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.523 -6.783 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.809 -7.140 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.621 -6.456 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.940 -5.309 -5.906 1.00 0.00 H new ATOM 543 N ALA A 39 5.005 -6.172 -1.268 1.00 0.00 N ATOM 544 CA ALA A 39 4.349 -6.495 -0.007 1.00 0.00 C ATOM 545 C ALA A 39 3.647 -5.274 0.575 1.00 0.00 C ATOM 546 O ALA A 39 2.557 -5.382 1.137 1.00 0.00 O ATOM 547 CB ALA A 39 5.360 -7.049 0.987 1.00 0.00 C ATOM 0 H ALA A 39 5.897 -6.645 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 39 3.594 -7.256 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.856 -7.286 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.813 -7.953 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.136 -6.305 1.170 1.00 0.00 H new ATOM 553 N ALA A 40 4.278 -4.112 0.438 1.00 0.00 N ATOM 554 CA ALA A 40 3.712 -2.870 0.949 1.00 0.00 C ATOM 555 C ALA A 40 2.240 -2.742 0.573 1.00 0.00 C ATOM 556 O ALA A 40 1.361 -2.792 1.435 1.00 0.00 O ATOM 557 CB ALA A 40 4.499 -1.677 0.426 1.00 0.00 C ATOM 0 H ALA A 40 5.182 -4.005 -0.023 1.00 0.00 H new ATOM 0 HA ALA A 40 3.781 -2.888 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.065 -0.756 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.537 -1.755 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.459 -1.664 -0.663 1.00 0.00 H new ATOM 563 N LEU A 41 1.977 -2.575 -0.718 1.00 0.00 N ATOM 564 CA LEU A 41 0.610 -2.439 -1.209 1.00 0.00 C ATOM 565 C LEU A 41 -0.284 -3.539 -0.646 1.00 0.00 C ATOM 566 O LEU A 41 -1.297 -3.263 -0.007 1.00 0.00 O ATOM 567 CB LEU A 41 0.589 -2.481 -2.738 1.00 0.00 C ATOM 568 CG LEU A 41 0.861 -1.156 -3.450 1.00 0.00 C ATOM 569 CD1 LEU A 41 1.491 -1.402 -4.813 1.00 0.00 C ATOM 570 CD2 LEU A 41 -0.424 -0.353 -3.592 1.00 0.00 C ATOM 0 H LEU A 41 2.692 -2.530 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 41 0.225 -1.476 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.329 -3.208 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.386 -2.849 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 41 1.562 -0.579 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.678 -0.448 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.433 -1.936 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.814 -1.999 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.211 0.587 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.148 -0.925 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.835 -0.146 -2.604 1.00 0.00 H new ATOM 582 N ASN A 42 0.102 -4.788 -0.887 1.00 0.00 N ATOM 583 CA ASN A 42 -0.663 -5.931 -0.403 1.00 0.00 C ATOM 584 C ASN A 42 -1.298 -5.627 0.951 1.00 0.00 C ATOM 585 O ASN A 42 -2.517 -5.699 1.107 1.00 0.00 O ATOM 586 CB ASN A 42 0.237 -7.164 -0.291 1.00 0.00 C ATOM 587 CG ASN A 42 0.935 -7.490 -1.597 1.00 0.00 C ATOM 588 OD1 ASN A 42 0.471 -8.329 -2.369 1.00 0.00 O ATOM 589 ND2 ASN A 42 2.058 -6.827 -1.849 1.00 0.00 N ATOM 0 H ASN A 42 0.940 -5.034 -1.414 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.458 -6.134 -1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.984 -6.996 0.485 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.361 -8.020 0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.573 -7.005 -2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.406 -6.140 -1.180 1.00 0.00 H new ATOM 596 N VAL A 43 -0.463 -5.285 1.927 1.00 0.00 N ATOM 597 CA VAL A 43 -0.941 -4.967 3.267 1.00 0.00 C ATOM 598 C VAL A 43 -2.016 -3.886 3.225 1.00 0.00 C ATOM 599 O VAL A 43 -3.023 -3.969 3.929 1.00 0.00 O ATOM 600 CB VAL A 43 0.209 -4.497 4.177 1.00 0.00 C ATOM 601 CG1 VAL A 43 -0.322 -4.095 5.544 1.00 0.00 C ATOM 602 CG2 VAL A 43 1.265 -5.585 4.305 1.00 0.00 C ATOM 0 H VAL A 43 0.549 -5.221 1.814 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.367 -5.883 3.677 1.00 0.00 H new ATOM 0 HB VAL A 43 0.674 -3.622 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.505 -3.766 6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.038 -3.281 5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.814 -4.949 6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.070 -5.236 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.815 -6.480 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.667 -5.820 3.319 1.00 0.00 H new ATOM 612 N LEU A 44 -1.795 -2.873 2.395 1.00 0.00 N ATOM 613 CA LEU A 44 -2.745 -1.774 2.259 1.00 0.00 C ATOM 614 C LEU A 44 -4.040 -2.251 1.609 1.00 0.00 C ATOM 615 O LEU A 44 -5.127 -1.786 1.952 1.00 0.00 O ATOM 616 CB LEU A 44 -2.132 -0.643 1.432 1.00 0.00 C ATOM 617 CG LEU A 44 -0.821 -0.059 1.962 1.00 0.00 C ATOM 618 CD1 LEU A 44 0.026 0.475 0.817 1.00 0.00 C ATOM 619 CD2 LEU A 44 -1.099 1.038 2.979 1.00 0.00 C ATOM 0 H LEU A 44 -0.966 -2.789 1.806 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.977 -1.401 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.960 -1.011 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.862 0.163 1.358 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.265 -0.854 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.955 0.887 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.254 -0.335 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.523 1.257 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.155 1.442 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.676 1.834 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.665 0.625 3.814 1.00 0.00 H new ATOM 631 N LEU A 45 -3.916 -3.181 0.669 1.00 0.00 N ATOM 632 CA LEU A 45 -5.077 -3.723 -0.028 1.00 0.00 C ATOM 633 C LEU A 45 -5.891 -4.628 0.891 1.00 0.00 C ATOM 634 O LEU A 45 -7.068 -4.371 1.150 1.00 0.00 O ATOM 635 CB LEU A 45 -4.634 -4.503 -1.267 1.00 0.00 C ATOM 636 CG LEU A 45 -3.701 -3.764 -2.228 1.00 0.00 C ATOM 637 CD1 LEU A 45 -3.215 -4.698 -3.325 1.00 0.00 C ATOM 638 CD2 LEU A 45 -4.403 -2.554 -2.827 1.00 0.00 C ATOM 0 H LEU A 45 -3.024 -3.575 0.372 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.707 -2.888 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.136 -5.415 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.524 -4.807 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.834 -3.415 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.553 -4.154 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.674 -5.532 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.070 -5.078 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.725 -2.040 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.288 -2.880 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.700 -1.874 -2.029 1.00 0.00 H new ATOM 650 N THR A 46 -5.258 -5.687 1.384 1.00 0.00 N ATOM 651 CA THR A 46 -5.923 -6.629 2.275 1.00 0.00 C ATOM 652 C THR A 46 -6.606 -5.905 3.430 1.00 0.00 C ATOM 653 O THR A 46 -7.709 -6.270 3.838 1.00 0.00 O ATOM 654 CB THR A 46 -4.930 -7.659 2.846 1.00 0.00 C ATOM 655 OG1 THR A 46 -5.627 -8.621 3.645 1.00 0.00 O ATOM 656 CG2 THR A 46 -3.862 -6.974 3.686 1.00 0.00 C ATOM 0 H THR A 46 -4.285 -5.914 1.181 1.00 0.00 H new ATOM 0 HA THR A 46 -6.674 -7.150 1.681 1.00 0.00 H new ATOM 0 HB THR A 46 -4.445 -8.164 2.011 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.989 -9.273 4.003 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.173 -7.722 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.313 -6.263 3.068 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.334 -6.446 4.514 1.00 0.00 H new ATOM 664 N SER A 47 -5.945 -4.877 3.952 1.00 0.00 N ATOM 665 CA SER A 47 -6.488 -4.103 5.062 1.00 0.00 C ATOM 666 C SER A 47 -6.390 -2.607 4.780 1.00 0.00 C ATOM 667 O SER A 47 -5.450 -1.942 5.214 1.00 0.00 O ATOM 668 CB SER A 47 -5.745 -4.439 6.357 1.00 0.00 C ATOM 669 OG SER A 47 -6.075 -5.741 6.810 1.00 0.00 O ATOM 0 H SER A 47 -5.032 -4.561 3.624 1.00 0.00 H new ATOM 0 HA SER A 47 -7.540 -4.366 5.176 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.670 -4.369 6.192 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.997 -3.708 7.125 1.00 0.00 H new ATOM 0 HG SER A 47 -5.587 -5.933 7.638 1.00 0.00 H new ATOM 675 N ASN A 48 -7.369 -2.084 4.049 1.00 0.00 N ATOM 676 CA ASN A 48 -7.394 -0.666 3.708 1.00 0.00 C ATOM 677 C ASN A 48 -8.330 0.101 4.638 1.00 0.00 C ATOM 678 O ASN A 48 -9.277 -0.462 5.186 1.00 0.00 O ATOM 679 CB ASN A 48 -7.835 -0.478 2.255 1.00 0.00 C ATOM 680 CG ASN A 48 -9.275 -0.895 2.029 1.00 0.00 C ATOM 681 OD1 ASN A 48 -9.885 -1.546 2.877 1.00 0.00 O ATOM 682 ND2 ASN A 48 -9.826 -0.520 0.880 1.00 0.00 N ATOM 0 H ASN A 48 -8.155 -2.620 3.682 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.386 -0.271 3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.714 0.568 1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.184 -1.060 1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.792 -0.771 0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.283 0.019 0.206 1.00 0.00 H new ATOM 689 N LYS A 49 -8.057 1.390 4.812 1.00 0.00 N ATOM 690 CA LYS A 49 -8.873 2.236 5.673 1.00 0.00 C ATOM 691 C LYS A 49 -8.790 3.696 5.239 1.00 0.00 C ATOM 692 O LYS A 49 -7.699 4.245 5.085 1.00 0.00 O ATOM 693 CB LYS A 49 -8.424 2.100 7.130 1.00 0.00 C ATOM 694 CG LYS A 49 -8.868 0.803 7.784 1.00 0.00 C ATOM 695 CD LYS A 49 -9.042 0.966 9.285 1.00 0.00 C ATOM 696 CE LYS A 49 -10.358 1.650 9.623 1.00 0.00 C ATOM 697 NZ LYS A 49 -10.392 2.119 11.036 1.00 0.00 N ATOM 0 H LYS A 49 -7.276 1.871 4.367 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.909 1.908 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.337 2.166 7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.818 2.940 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.808 0.475 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.133 0.024 7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.005 -0.012 9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.214 1.549 9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.509 2.498 8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.182 0.958 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.305 2.579 11.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.274 1.307 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.621 2.799 11.195 1.00 0.00 H new ATOM 711 N GLN A 50 -9.948 4.318 5.045 1.00 0.00 N ATOM 712 CA GLN A 50 -10.004 5.715 4.630 1.00 0.00 C ATOM 713 C GLN A 50 -9.476 6.631 5.728 1.00 0.00 C ATOM 714 O GLN A 50 -9.949 6.593 6.865 1.00 0.00 O ATOM 715 CB GLN A 50 -11.439 6.104 4.271 1.00 0.00 C ATOM 716 CG GLN A 50 -11.902 5.555 2.931 1.00 0.00 C ATOM 717 CD GLN A 50 -11.339 6.331 1.756 1.00 0.00 C ATOM 718 OE1 GLN A 50 -11.717 7.479 1.517 1.00 0.00 O ATOM 719 NE2 GLN A 50 -10.430 5.708 1.015 1.00 0.00 N ATOM 0 H GLN A 50 -10.860 3.877 5.168 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.372 5.832 3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.110 5.746 5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -11.519 7.191 4.256 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.603 4.510 2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.991 5.579 2.889 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.146 4.757 1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.016 6.181 0.212 1.00 0.00 H new ATOM 728 N LYS A 51 -8.492 7.455 5.383 1.00 0.00 N ATOM 729 CA LYS A 51 -7.899 8.383 6.338 1.00 0.00 C ATOM 730 C LYS A 51 -8.166 9.828 5.931 1.00 0.00 C ATOM 731 O LYS A 51 -8.267 10.156 4.749 1.00 0.00 O ATOM 732 CB LYS A 51 -6.391 8.142 6.445 1.00 0.00 C ATOM 733 CG LYS A 51 -6.032 6.773 6.995 1.00 0.00 C ATOM 734 CD LYS A 51 -4.589 6.724 7.469 1.00 0.00 C ATOM 735 CE LYS A 51 -4.326 5.496 8.328 1.00 0.00 C ATOM 736 NZ LYS A 51 -2.976 5.537 8.956 1.00 0.00 N ATOM 0 H LYS A 51 -8.088 7.499 4.447 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.359 8.208 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.942 8.257 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.954 8.908 7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.697 6.527 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.189 6.018 6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.922 6.716 6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.362 7.624 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.086 5.427 9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.415 4.599 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.835 4.683 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.249 5.577 8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.900 6.380 9.561 1.00 0.00 H new ATOM 750 N PRO A 52 -8.282 10.714 6.931 1.00 0.00 N ATOM 751 CA PRO A 52 -8.537 12.139 6.701 1.00 0.00 C ATOM 752 C PRO A 52 -7.339 12.849 6.080 1.00 0.00 C ATOM 753 O PRO A 52 -6.273 12.939 6.690 1.00 0.00 O ATOM 754 CB PRO A 52 -8.811 12.682 8.106 1.00 0.00 C ATOM 755 CG PRO A 52 -8.100 11.744 9.020 1.00 0.00 C ATOM 756 CD PRO A 52 -8.172 10.393 8.364 1.00 0.00 C ATOM 0 HA PRO A 52 -9.357 12.298 6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.439 13.701 8.216 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.880 12.708 8.319 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.065 12.052 9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.570 11.726 10.003 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.285 9.796 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.031 9.821 8.715 1.00 0.00 H new ATOM 764 N VAL A 53 -7.520 13.353 4.863 1.00 0.00 N ATOM 765 CA VAL A 53 -6.454 14.056 4.160 1.00 0.00 C ATOM 766 C VAL A 53 -6.268 15.465 4.713 1.00 0.00 C ATOM 767 O VAL A 53 -7.197 16.273 4.706 1.00 0.00 O ATOM 768 CB VAL A 53 -6.740 14.143 2.649 1.00 0.00 C ATOM 769 CG1 VAL A 53 -5.638 14.915 1.940 1.00 0.00 C ATOM 770 CG2 VAL A 53 -6.894 12.751 2.056 1.00 0.00 C ATOM 0 H VAL A 53 -8.395 13.287 4.344 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.540 13.483 4.316 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.677 14.681 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.858 14.966 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.581 15.924 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.684 14.409 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.096 12.831 0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.975 12.186 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.722 12.237 2.544 1.00 0.00 H new ATOM 780 N MET A 54 -5.062 15.753 5.190 1.00 0.00 N ATOM 781 CA MET A 54 -4.753 17.066 5.745 1.00 0.00 C ATOM 782 C MET A 54 -3.297 17.437 5.485 1.00 0.00 C ATOM 783 O MET A 54 -2.390 16.644 5.732 1.00 0.00 O ATOM 784 CB MET A 54 -5.037 17.087 7.248 1.00 0.00 C ATOM 785 CG MET A 54 -6.518 17.131 7.587 1.00 0.00 C ATOM 786 SD MET A 54 -6.823 17.231 9.361 1.00 0.00 S ATOM 787 CE MET A 54 -8.034 15.929 9.571 1.00 0.00 C ATOM 0 H MET A 54 -4.283 15.095 5.204 1.00 0.00 H new ATOM 0 HA MET A 54 -5.390 17.801 5.252 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.594 16.202 7.705 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.546 17.954 7.690 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.974 17.990 7.095 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.004 16.241 7.188 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.638 16.133 10.455 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.678 15.886 8.693 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.524 14.974 9.693 1.00 0.00 H new ATOM 797 N GLY A 55 -3.080 18.650 4.984 1.00 0.00 N ATOM 798 CA GLY A 55 -1.732 19.105 4.699 1.00 0.00 C ATOM 799 C GLY A 55 -1.596 20.611 4.794 1.00 0.00 C ATOM 800 O GLY A 55 -2.520 21.361 4.477 1.00 0.00 O ATOM 0 H GLY A 55 -3.814 19.325 4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.038 18.636 5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.446 18.780 3.699 1.00 0.00 H new ATOM 804 N PRO A 56 -0.420 21.076 5.240 1.00 0.00 N ATOM 805 CA PRO A 56 -0.139 22.508 5.387 1.00 0.00 C ATOM 806 C PRO A 56 -0.019 23.216 4.042 1.00 0.00 C ATOM 807 O PRO A 56 0.410 22.637 3.044 1.00 0.00 O ATOM 808 CB PRO A 56 1.202 22.532 6.125 1.00 0.00 C ATOM 809 CG PRO A 56 1.847 21.233 5.782 1.00 0.00 C ATOM 810 CD PRO A 56 0.727 20.241 5.635 1.00 0.00 C ATOM 0 HA PRO A 56 -0.940 23.029 5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.815 23.375 5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.060 22.631 7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.420 21.314 4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.542 20.924 6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.954 19.488 4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.535 19.710 6.568 1.00 0.00 H new ATOM 818 N PRO A 57 -0.407 24.500 4.012 1.00 0.00 N ATOM 819 CA PRO A 57 -0.352 25.315 2.795 1.00 0.00 C ATOM 820 C PRO A 57 1.079 25.636 2.377 1.00 0.00 C ATOM 821 O PRO A 57 1.923 25.959 3.213 1.00 0.00 O ATOM 822 CB PRO A 57 -1.093 26.594 3.191 1.00 0.00 C ATOM 823 CG PRO A 57 -0.945 26.675 4.671 1.00 0.00 C ATOM 824 CD PRO A 57 -0.929 25.254 5.164 1.00 0.00 C ATOM 0 HA PRO A 57 -0.789 24.800 1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.663 27.468 2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.142 26.550 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.025 27.193 4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.769 27.233 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.292 25.140 6.041 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.926 24.916 5.448 1.00 0.00 H new ATOM 832 N SER A 58 1.346 25.544 1.077 1.00 0.00 N ATOM 833 CA SER A 58 2.676 25.822 0.549 1.00 0.00 C ATOM 834 C SER A 58 2.759 27.245 0.006 1.00 0.00 C ATOM 835 O SER A 58 3.669 27.999 0.347 1.00 0.00 O ATOM 836 CB SER A 58 3.028 24.822 -0.554 1.00 0.00 C ATOM 837 OG SER A 58 3.329 23.548 -0.011 1.00 0.00 O ATOM 0 H SER A 58 0.659 25.279 0.371 1.00 0.00 H new ATOM 0 HA SER A 58 3.392 25.721 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.194 24.736 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.882 25.189 -1.123 1.00 0.00 H new ATOM 0 HG SER A 58 3.549 22.927 -0.736 1.00 0.00 H new ATOM 843 N GLY A 59 1.800 27.605 -0.842 1.00 0.00 N ATOM 844 CA GLY A 59 1.783 28.937 -1.419 1.00 0.00 C ATOM 845 C GLY A 59 1.244 28.947 -2.836 1.00 0.00 C ATOM 846 O GLY A 59 1.438 28.005 -3.604 1.00 0.00 O ATOM 0 H GLY A 59 1.035 26.999 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.173 29.592 -0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.794 29.345 -1.415 1.00 0.00 H new ATOM 850 N PRO A 60 0.548 30.034 -3.201 1.00 0.00 N ATOM 851 CA PRO A 60 -0.036 30.189 -4.536 1.00 0.00 C ATOM 852 C PRO A 60 1.025 30.388 -5.613 1.00 0.00 C ATOM 853 O PRO A 60 2.169 30.733 -5.315 1.00 0.00 O ATOM 854 CB PRO A 60 -0.902 31.444 -4.402 1.00 0.00 C ATOM 855 CG PRO A 60 -0.279 32.217 -3.291 1.00 0.00 C ATOM 856 CD PRO A 60 0.277 31.196 -2.337 1.00 0.00 C ATOM 0 HA PRO A 60 -0.591 29.302 -4.843 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -0.911 32.019 -5.328 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.937 31.188 -4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.508 32.872 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.014 32.853 -2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 60 1.183 31.554 -1.849 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.435 30.953 -1.548 1.00 0.00 H new ATOM 864 N SER A 61 0.639 30.168 -6.866 1.00 0.00 N ATOM 865 CA SER A 61 1.559 30.319 -7.987 1.00 0.00 C ATOM 866 C SER A 61 1.528 31.746 -8.526 1.00 0.00 C ATOM 867 O SER A 61 0.529 32.186 -9.095 1.00 0.00 O ATOM 868 CB SER A 61 1.204 29.334 -9.102 1.00 0.00 C ATOM 869 OG SER A 61 2.319 29.090 -9.942 1.00 0.00 O ATOM 0 H SER A 61 -0.305 29.885 -7.130 1.00 0.00 H new ATOM 0 HA SER A 61 2.566 30.105 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.861 28.396 -8.667 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.379 29.732 -9.694 1.00 0.00 H new ATOM 0 HG SER A 61 2.066 28.456 -10.645 1.00 0.00 H new ATOM 875 N SER A 62 2.631 32.465 -8.342 1.00 0.00 N ATOM 876 CA SER A 62 2.731 33.844 -8.805 1.00 0.00 C ATOM 877 C SER A 62 3.836 33.988 -9.847 1.00 0.00 C ATOM 878 O SER A 62 4.634 33.075 -10.052 1.00 0.00 O ATOM 879 CB SER A 62 3.001 34.782 -7.627 1.00 0.00 C ATOM 880 OG SER A 62 1.945 34.731 -6.682 1.00 0.00 O ATOM 0 H SER A 62 3.468 32.115 -7.875 1.00 0.00 H new ATOM 0 HA SER A 62 1.782 34.116 -9.266 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.938 34.505 -7.145 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.119 35.803 -7.990 1.00 0.00 H new ATOM 0 HG SER A 62 2.142 35.338 -5.938 1.00 0.00 H new ATOM 886 N GLY A 63 3.873 35.144 -10.505 1.00 0.00 N ATOM 887 CA GLY A 63 4.883 35.388 -11.518 1.00 0.00 C ATOM 888 C GLY A 63 6.262 34.933 -11.084 1.00 0.00 C ATOM 889 O GLY A 63 7.191 35.736 -11.004 1.00 0.00 O ATOM 0 H GLY A 63 3.222 35.915 -10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.605 34.870 -12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.911 36.453 -11.749 1.00 0.00 H new TER 893 GLY A 63