USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 530 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 NoAdj : A 6 ASNHD21 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD NoAdj : A 6 ASNHD22 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD Set 1.1: A 68 THR OG1 : rot 4:sc= 0.828 USER MOD Set 1.2: A 70 THR OG1 : rot 71:sc= -0.164 USER MOD Set 2.1: A 35 THR OG1 : rot 81:sc= -0.605! USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 7 ASN : amide:sc= -0.673 X(o=-0.67,f=-0.47) USER MOD Single : A 11 TYR OH : rot -67:sc= 1.01 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -100:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -140:sc= -0.651 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.27) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00138) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= -2.28! (180deg=-2.45!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.9!) USER MOD Single : A 54 ASN : amide:sc= -0.0523 K(o=-0.052,f=-1.2) USER MOD Single : A 56 ASN :FLIP amide:sc= -13.6! C(o=-14!,f=-14!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 168:sc= -1.73 USER MOD Single : A 69 LYS NZ :NH3+ 145:sc= -0.192 (180deg=-1.48!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0443 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.444 0.645 -0.718 1.00 54.50 N ATOM 2 CA CYS A 1 2.238 0.445 -1.918 1.00 73.22 C ATOM 3 C CYS A 1 1.776 -0.851 -2.588 1.00 42.25 C ATOM 4 O CYS A 1 2.368 -1.908 -2.377 1.00 61.21 O ATOM 5 CB CYS A 1 3.736 0.425 -1.608 1.00 71.23 C ATOM 6 SG CYS A 1 4.755 -0.513 -2.805 1.00 54.41 S ATOM 0 H1 CYS A 1 1.743 1.522 -0.246 1.00 54.50 H new ATOM 0 H2 CYS A 1 0.439 0.715 -0.975 1.00 54.50 H new ATOM 0 H3 CYS A 1 1.582 -0.159 -0.073 1.00 54.50 H new ATOM 0 HA CYS A 1 2.087 1.281 -2.601 1.00 73.22 H new ATOM 0 HB2 CYS A 1 4.099 1.452 -1.570 1.00 71.23 H new ATOM 0 HB3 CYS A 1 3.882 -0.001 -0.616 1.00 71.23 H new ATOM 11 N TYR A 2 0.723 -0.726 -3.383 1.00 44.11 N ATOM 12 CA TYR A 2 0.176 -1.874 -4.086 1.00 12.13 C ATOM 13 C TYR A 2 1.204 -2.468 -5.050 1.00 62.41 C ATOM 14 O TYR A 2 2.221 -1.841 -5.343 1.00 30.22 O ATOM 15 CB TYR A 2 -1.015 -1.348 -4.890 1.00 1.45 C ATOM 16 CG TYR A 2 -2.326 -1.304 -4.103 1.00 34.31 C ATOM 17 CD1 TYR A 2 -2.740 -2.411 -3.389 1.00 71.04 C ATOM 18 CD2 TYR A 2 -3.096 -0.159 -4.107 1.00 2.45 C ATOM 19 CE1 TYR A 2 -3.974 -2.370 -2.649 1.00 75.20 C ATOM 20 CE2 TYR A 2 -4.330 -0.118 -3.366 1.00 51.21 C ATOM 21 CZ TYR A 2 -4.709 -1.226 -2.674 1.00 4.41 C ATOM 22 OH TYR A 2 -5.874 -1.187 -1.975 1.00 34.14 O ATOM 0 H TYR A 2 0.234 0.153 -3.556 1.00 44.11 H new ATOM 0 HA TYR A 2 -0.107 -2.656 -3.381 1.00 12.13 H new ATOM 0 HB2 TYR A 2 -0.784 -0.345 -5.248 1.00 1.45 H new ATOM 0 HB3 TYR A 2 -1.152 -1.976 -5.770 1.00 1.45 H new ATOM 0 HD1 TYR A 2 -2.138 -3.308 -3.386 1.00 71.04 H new ATOM 0 HD2 TYR A 2 -2.773 0.707 -4.666 1.00 2.45 H new ATOM 0 HE1 TYR A 2 -4.309 -3.229 -2.086 1.00 75.20 H new ATOM 0 HE2 TYR A 2 -4.941 0.773 -3.360 1.00 51.21 H new ATOM 0 HH TYR A 2 -6.291 -0.307 -2.084 1.00 34.14 H new ATOM 32 N VAL A 3 0.904 -3.671 -5.517 1.00 71.31 N ATOM 33 CA VAL A 3 1.790 -4.357 -6.442 1.00 75.54 C ATOM 34 C VAL A 3 0.972 -4.899 -7.617 1.00 23.52 C ATOM 35 O VAL A 3 -0.089 -5.476 -7.488 1.00 74.54 O ATOM 36 CB VAL A 3 2.573 -5.446 -5.707 1.00 24.14 C ATOM 37 CG1 VAL A 3 2.897 -6.614 -6.640 1.00 31.52 C ATOM 38 CG2 VAL A 3 3.847 -4.876 -5.080 1.00 3.22 C ATOM 0 H VAL A 3 0.060 -4.188 -5.272 1.00 71.31 H new ATOM 0 HA VAL A 3 2.527 -3.665 -6.849 1.00 75.54 H new ATOM 0 HB VAL A 3 1.943 -5.825 -4.902 1.00 24.14 H new ATOM 0 HG11 VAL A 3 3.454 -7.374 -6.092 1.00 31.52 H new ATOM 0 HG12 VAL A 3 1.970 -7.046 -7.018 1.00 31.52 H new ATOM 0 HG13 VAL A 3 3.498 -6.256 -7.476 1.00 31.52 H new ATOM 0 HG21 VAL A 3 4.385 -5.671 -4.563 1.00 3.22 H new ATOM 0 HG22 VAL A 3 4.481 -4.457 -5.861 1.00 3.22 H new ATOM 0 HG23 VAL A 3 3.584 -4.094 -4.368 1.00 3.22 H new ATOM 48 N ASP A 4 1.498 -4.699 -8.793 1.00 64.25 N ATOM 49 CA ASP A 4 0.802 -5.185 -10.018 1.00 32.44 C ATOM 50 C ASP A 4 1.417 -6.511 -10.479 1.00 0.23 C ATOM 51 O ASP A 4 2.627 -6.669 -10.323 1.00 12.04 O ATOM 52 CB ASP A 4 1.032 -4.094 -11.064 1.00 33.04 C ATOM 53 CG ASP A 4 0.395 -4.514 -12.389 1.00 51.34 C ATOM 54 OD1 ASP A 4 -0.266 -5.539 -12.409 1.00 35.23 O ATOM 55 OD2 ASP A 4 0.580 -3.804 -13.365 1.00 34.30 O ATOM 0 H ASP A 4 2.382 -4.219 -8.959 1.00 64.25 H new ATOM 0 HA ASP A 4 -0.259 -5.367 -9.848 1.00 32.44 H new ATOM 0 HB2 ASP A 4 0.601 -3.153 -10.724 1.00 33.04 H new ATOM 0 HB3 ASP A 4 2.100 -3.925 -11.199 1.00 33.04 H new ATOM 60 N THR A 5 0.606 -7.410 -11.015 1.00 34.41 N ATOM 61 CA THR A 5 1.109 -8.694 -11.472 1.00 64.34 C ATOM 62 C THR A 5 1.182 -8.725 -13.000 1.00 44.43 C ATOM 63 O THR A 5 1.341 -9.789 -13.597 1.00 0.42 O ATOM 64 CB THR A 5 0.217 -9.789 -10.885 1.00 34.12 C ATOM 65 OG1 THR A 5 -1.102 -9.260 -10.998 1.00 64.11 O ATOM 66 CG2 THR A 5 0.420 -9.964 -9.378 1.00 74.45 C ATOM 0 H THR A 5 -0.397 -7.275 -11.143 1.00 34.41 H new ATOM 0 HA THR A 5 2.128 -8.865 -11.125 1.00 64.34 H new ATOM 0 HB THR A 5 0.420 -10.733 -11.391 1.00 34.12 H new ATOM 0 HG1 THR A 5 -1.746 -9.907 -10.642 1.00 64.11 H new ATOM 0 HG21 THR A 5 -0.237 -10.753 -9.012 1.00 74.45 H new ATOM 0 HG22 THR A 5 1.457 -10.234 -9.179 1.00 74.45 H new ATOM 0 HG23 THR A 5 0.184 -9.030 -8.868 1.00 74.45 H new ATOM 74 N ASN A 6 1.063 -7.544 -13.590 1.00 61.31 N ATOM 75 CA ASN A 6 1.114 -7.422 -15.037 1.00 75.11 C ATOM 76 C ASN A 6 2.404 -6.706 -15.439 1.00 41.44 C ATOM 77 O ASN A 6 2.850 -6.816 -16.581 1.00 13.25 O ATOM 78 CB ASN A 6 -0.066 -6.601 -15.562 1.00 71.50 C ATOM 79 CG ASN A 6 -1.359 -6.972 -14.833 1.00 74.23 C ATOM 80 OD1 ASN A 6 -2.222 -6.146 -14.587 1.00 13.33 O ATOM 81 ND2 ASN A 6 -1.445 -8.258 -14.504 1.00 11.23 N ATOM 0 H ASN A 6 0.931 -6.664 -13.092 1.00 61.31 H new ATOM 0 HA ASN A 6 1.073 -8.425 -15.462 1.00 75.11 H new ATOM 0 HB2 ASN A 6 0.138 -5.538 -15.430 1.00 71.50 H new ATOM 0 HB3 ASN A 6 -0.185 -6.772 -16.632 1.00 71.50 H new ATOM 0 HD21 ASN A 6 -2.270 -8.605 -14.016 1.00 11.23 H new ATOM 0 HD22 ASN A 6 -0.686 -8.897 -14.740 1.00 11.23 H new ATOM 88 N ASN A 7 2.968 -5.987 -14.480 1.00 22.24 N ATOM 89 CA ASN A 7 4.199 -5.253 -14.720 1.00 12.35 C ATOM 90 C ASN A 7 3.904 -4.055 -15.625 1.00 5.23 C ATOM 91 O ASN A 7 4.793 -3.563 -16.318 1.00 63.24 O ATOM 92 CB ASN A 7 5.237 -6.131 -15.421 1.00 32.25 C ATOM 93 CG ASN A 7 5.329 -7.507 -14.757 1.00 55.04 C ATOM 94 OD1 ASN A 7 5.276 -8.541 -15.403 1.00 53.21 O ATOM 95 ND2 ASN A 7 5.468 -7.462 -13.436 1.00 25.14 N ATOM 0 H ASN A 7 2.595 -5.897 -13.535 1.00 22.24 H new ATOM 0 HA ASN A 7 4.593 -4.930 -13.756 1.00 12.35 H new ATOM 0 HB2 ASN A 7 4.971 -6.247 -16.472 1.00 32.25 H new ATOM 0 HB3 ASN A 7 6.211 -5.643 -15.391 1.00 32.25 H new ATOM 0 HD21 ASN A 7 5.537 -8.327 -12.901 1.00 25.14 H new ATOM 0 HD22 ASN A 7 5.505 -6.562 -12.957 1.00 25.14 H new ATOM 102 N ASP A 8 2.654 -3.620 -15.588 1.00 54.44 N ATOM 103 CA ASP A 8 2.231 -2.489 -16.397 1.00 10.42 C ATOM 104 C ASP A 8 2.410 -1.198 -15.594 1.00 64.34 C ATOM 105 O ASP A 8 2.542 -0.119 -16.169 1.00 55.22 O ATOM 106 CB ASP A 8 0.754 -2.606 -16.779 1.00 62.11 C ATOM 107 CG ASP A 8 -0.230 -2.111 -15.717 1.00 41.03 C ATOM 108 OD1 ASP A 8 -0.165 -0.903 -15.403 1.00 20.04 O ATOM 109 OD2 ASP A 8 -1.025 -2.952 -15.244 1.00 40.45 O ATOM 0 H ASP A 8 1.920 -4.030 -15.011 1.00 54.44 H new ATOM 0 HA ASP A 8 2.838 -2.477 -17.302 1.00 10.42 H new ATOM 0 HB2 ASP A 8 0.586 -2.044 -17.698 1.00 62.11 H new ATOM 0 HB3 ASP A 8 0.533 -3.650 -16.999 1.00 62.11 H new ATOM 114 N GLY A 9 2.411 -1.353 -14.279 1.00 15.25 N ATOM 115 CA GLY A 9 2.572 -0.213 -13.391 1.00 73.43 C ATOM 116 C GLY A 9 1.215 0.388 -13.019 1.00 50.11 C ATOM 117 O GLY A 9 1.097 1.599 -12.841 1.00 12.41 O ATOM 0 H GLY A 9 2.303 -2.250 -13.806 1.00 15.25 H new ATOM 0 HA2 GLY A 9 3.097 -0.523 -12.487 1.00 73.43 H new ATOM 0 HA3 GLY A 9 3.189 0.545 -13.874 1.00 73.43 H new ATOM 121 N ALA A 10 0.225 -0.486 -12.913 1.00 21.22 N ATOM 122 CA ALA A 10 -1.119 -0.057 -12.565 1.00 43.41 C ATOM 123 C ALA A 10 -1.781 -1.125 -11.693 1.00 54.01 C ATOM 124 O ALA A 10 -1.624 -2.319 -11.942 1.00 34.42 O ATOM 125 CB ALA A 10 -1.911 0.227 -13.843 1.00 21.21 C ATOM 0 H ALA A 10 0.327 -1.490 -13.062 1.00 21.22 H new ATOM 0 HA ALA A 10 -1.090 0.867 -11.988 1.00 43.41 H new ATOM 0 HB1 ALA A 10 -2.919 0.549 -13.582 1.00 21.21 H new ATOM 0 HB2 ALA A 10 -1.415 1.014 -14.411 1.00 21.21 H new ATOM 0 HB3 ALA A 10 -1.964 -0.679 -14.447 1.00 21.21 H new ATOM 131 N TYR A 11 -2.508 -0.657 -10.689 1.00 52.32 N ATOM 132 CA TYR A 11 -3.195 -1.557 -9.779 1.00 74.10 C ATOM 133 C TYR A 11 -4.678 -1.673 -10.138 1.00 13.23 C ATOM 134 O TYR A 11 -5.421 -0.697 -10.046 1.00 2.53 O ATOM 135 CB TYR A 11 -3.066 -0.931 -8.389 1.00 55.21 C ATOM 136 CG TYR A 11 -1.623 -0.662 -7.959 1.00 70.11 C ATOM 137 CD1 TYR A 11 -0.678 -1.663 -8.052 1.00 25.41 C ATOM 138 CD2 TYR A 11 -1.266 0.581 -7.478 1.00 52.34 C ATOM 139 CE1 TYR A 11 0.681 -1.410 -7.647 1.00 61.52 C ATOM 140 CE2 TYR A 11 0.092 0.834 -7.074 1.00 4.23 C ATOM 141 CZ TYR A 11 0.999 -0.174 -7.178 1.00 60.21 C ATOM 142 OH TYR A 11 2.282 0.065 -6.796 1.00 22.41 O ATOM 0 H TYR A 11 -2.636 0.334 -10.486 1.00 52.32 H new ATOM 0 HA TYR A 11 -2.763 -2.557 -9.829 1.00 74.10 H new ATOM 0 HB2 TYR A 11 -3.620 0.007 -8.372 1.00 55.21 H new ATOM 0 HB3 TYR A 11 -3.534 -1.592 -7.659 1.00 55.21 H new ATOM 0 HD1 TYR A 11 -0.957 -2.636 -8.428 1.00 25.41 H new ATOM 0 HD2 TYR A 11 -2.006 1.364 -7.405 1.00 52.34 H new ATOM 0 HE1 TYR A 11 1.431 -2.185 -7.714 1.00 61.52 H new ATOM 0 HE2 TYR A 11 0.384 1.803 -6.697 1.00 4.23 H new ATOM 0 HH TYR A 11 2.488 -0.461 -5.996 1.00 22.41 H new ATOM 152 N GLU A 12 -5.065 -2.875 -10.539 1.00 51.30 N ATOM 153 CA GLU A 12 -6.446 -3.131 -10.912 1.00 0.31 C ATOM 154 C GLU A 12 -6.760 -4.623 -10.792 1.00 34.24 C ATOM 155 O GLU A 12 -6.193 -5.441 -11.514 1.00 42.02 O ATOM 156 CB GLU A 12 -6.736 -2.622 -12.325 1.00 44.33 C ATOM 157 CG GLU A 12 -6.096 -3.531 -13.377 1.00 54.42 C ATOM 158 CD GLU A 12 -4.627 -3.800 -13.049 1.00 24.14 C ATOM 159 OE1 GLU A 12 -3.919 -2.811 -12.758 1.00 75.21 O ATOM 160 OE2 GLU A 12 -4.243 -4.989 -13.095 1.00 74.13 O ATOM 0 H GLU A 12 -4.446 -3.682 -10.614 1.00 51.30 H new ATOM 0 HA GLU A 12 -7.094 -2.587 -10.225 1.00 0.31 H new ATOM 0 HB2 GLU A 12 -7.813 -2.577 -12.485 1.00 44.33 H new ATOM 0 HB3 GLU A 12 -6.354 -1.607 -12.435 1.00 44.33 H new ATOM 0 HG2 GLU A 12 -6.640 -4.474 -13.427 1.00 54.42 H new ATOM 0 HG3 GLU A 12 -6.174 -3.066 -14.360 1.00 54.42 H new ATOM 167 N GLY A 13 -7.664 -4.933 -9.873 1.00 43.12 N ATOM 168 CA GLY A 13 -8.060 -6.313 -9.649 1.00 14.30 C ATOM 169 C GLY A 13 -7.500 -6.836 -8.325 1.00 15.24 C ATOM 170 O GLY A 13 -7.792 -6.287 -7.263 1.00 42.33 O ATOM 0 H GLY A 13 -8.133 -4.252 -9.276 1.00 43.12 H new ATOM 0 HA2 GLY A 13 -9.147 -6.386 -9.642 1.00 14.30 H new ATOM 0 HA3 GLY A 13 -7.703 -6.935 -10.470 1.00 14.30 H new ATOM 174 N ASP A 14 -6.707 -7.891 -8.430 1.00 63.33 N ATOM 175 CA ASP A 14 -6.103 -8.495 -7.254 1.00 54.22 C ATOM 176 C ASP A 14 -4.909 -7.649 -6.808 1.00 12.21 C ATOM 177 O ASP A 14 -4.436 -7.782 -5.680 1.00 71.24 O ATOM 178 CB ASP A 14 -5.596 -9.906 -7.558 1.00 1.21 C ATOM 179 CG ASP A 14 -6.689 -10.959 -7.749 1.00 12.01 C ATOM 180 OD1 ASP A 14 -7.824 -10.639 -8.133 1.00 31.12 O ATOM 181 OD2 ASP A 14 -6.332 -12.170 -7.482 1.00 54.43 O ATOM 0 H ASP A 14 -6.468 -8.344 -9.312 1.00 63.33 H new ATOM 0 HA ASP A 14 -6.862 -8.545 -6.473 1.00 54.22 H new ATOM 0 HB2 ASP A 14 -4.986 -9.870 -8.460 1.00 1.21 H new ATOM 0 HB3 ASP A 14 -4.944 -10.224 -6.745 1.00 1.21 H new ATOM 187 N GLU A 15 -4.456 -6.797 -7.716 1.00 11.22 N ATOM 188 CA GLU A 15 -3.326 -5.929 -7.430 1.00 32.21 C ATOM 189 C GLU A 15 -3.707 -4.893 -6.370 1.00 71.42 C ATOM 190 O GLU A 15 -2.850 -4.164 -5.874 1.00 11.11 O ATOM 191 CB GLU A 15 -2.821 -5.250 -8.704 1.00 4.50 C ATOM 192 CG GLU A 15 -2.566 -6.276 -9.809 1.00 60.42 C ATOM 193 CD GLU A 15 -2.595 -5.616 -11.189 1.00 2.41 C ATOM 194 OE1 GLU A 15 -2.708 -4.371 -11.220 1.00 22.03 O ATOM 195 OE2 GLU A 15 -2.503 -6.370 -12.181 1.00 53.14 O ATOM 0 H GLU A 15 -4.851 -6.689 -8.650 1.00 11.22 H new ATOM 0 HA GLU A 15 -2.514 -6.540 -7.037 1.00 32.21 H new ATOM 0 HB2 GLU A 15 -3.553 -4.518 -9.045 1.00 4.50 H new ATOM 0 HB3 GLU A 15 -1.902 -4.705 -8.490 1.00 4.50 H new ATOM 0 HG2 GLU A 15 -1.599 -6.753 -9.651 1.00 60.42 H new ATOM 0 HG3 GLU A 15 -3.320 -7.061 -9.762 1.00 60.42 H new ATOM 202 N LEU A 16 -4.993 -4.862 -6.055 1.00 35.13 N ATOM 203 CA LEU A 16 -5.498 -3.928 -5.063 1.00 13.11 C ATOM 204 C LEU A 16 -5.948 -4.702 -3.822 1.00 51.30 C ATOM 205 O LEU A 16 -6.897 -4.304 -3.148 1.00 1.31 O ATOM 206 CB LEU A 16 -6.592 -3.044 -5.667 1.00 21.53 C ATOM 207 CG LEU A 16 -6.167 -2.157 -6.839 1.00 23.44 C ATOM 208 CD1 LEU A 16 -7.356 -1.843 -7.748 1.00 12.21 C ATOM 209 CD2 LEU A 16 -5.474 -0.887 -6.341 1.00 64.24 C ATOM 0 H LEU A 16 -5.701 -5.469 -6.469 1.00 35.13 H new ATOM 0 HA LEU A 16 -4.709 -3.247 -4.745 1.00 13.11 H new ATOM 0 HB2 LEU A 16 -7.407 -3.686 -6.000 1.00 21.53 H new ATOM 0 HB3 LEU A 16 -6.991 -2.405 -4.879 1.00 21.53 H new ATOM 0 HG LEU A 16 -5.441 -2.706 -7.438 1.00 23.44 H new ATOM 0 HD11 LEU A 16 -7.027 -1.211 -8.573 1.00 12.21 H new ATOM 0 HD12 LEU A 16 -7.767 -2.772 -8.144 1.00 12.21 H new ATOM 0 HD13 LEU A 16 -8.124 -1.322 -7.176 1.00 12.21 H new ATOM 0 HD21 LEU A 16 -5.182 -0.274 -7.193 1.00 64.24 H new ATOM 0 HD22 LEU A 16 -6.159 -0.324 -5.707 1.00 64.24 H new ATOM 0 HD23 LEU A 16 -4.587 -1.157 -5.768 1.00 64.24 H new ATOM 221 N SER A 17 -5.246 -5.794 -3.558 1.00 3.40 N ATOM 222 CA SER A 17 -5.561 -6.627 -2.410 1.00 41.20 C ATOM 223 C SER A 17 -4.794 -6.136 -1.181 1.00 10.54 C ATOM 224 O SER A 17 -5.190 -6.407 -0.048 1.00 52.31 O ATOM 225 CB SER A 17 -5.233 -8.095 -2.689 1.00 3.05 C ATOM 226 OG SER A 17 -5.864 -8.969 -1.757 1.00 33.21 O ATOM 0 H SER A 17 -4.460 -6.121 -4.120 1.00 3.40 H new ATOM 0 HA SER A 17 -6.631 -6.552 -2.216 1.00 41.20 H new ATOM 0 HB2 SER A 17 -5.551 -8.352 -3.699 1.00 3.05 H new ATOM 0 HB3 SER A 17 -4.153 -8.239 -2.648 1.00 3.05 H new ATOM 0 HG SER A 17 -5.631 -9.897 -1.970 1.00 33.21 H new ATOM 232 N GLY A 18 -3.710 -5.421 -1.445 1.00 61.44 N ATOM 233 CA GLY A 18 -2.884 -4.890 -0.375 1.00 0.33 C ATOM 234 C GLY A 18 -1.523 -5.587 -0.334 1.00 62.23 C ATOM 235 O GLY A 18 -1.451 -6.814 -0.281 1.00 52.00 O ATOM 0 H GLY A 18 -3.385 -5.197 -2.386 1.00 61.44 H new ATOM 0 HA2 GLY A 18 -2.743 -3.818 -0.517 1.00 0.33 H new ATOM 0 HA3 GLY A 18 -3.392 -5.021 0.580 1.00 0.33 H new ATOM 239 N THR A 19 -0.476 -4.775 -0.361 1.00 54.11 N ATOM 240 CA THR A 19 0.879 -5.299 -0.328 1.00 54.32 C ATOM 241 C THR A 19 1.621 -4.779 0.905 1.00 62.45 C ATOM 242 O THR A 19 1.157 -3.855 1.570 1.00 73.01 O ATOM 243 CB THR A 19 1.560 -4.931 -1.648 1.00 11.42 C ATOM 244 OG1 THR A 19 0.533 -5.086 -2.624 1.00 3.03 O ATOM 245 CG2 THR A 19 2.624 -5.949 -2.061 1.00 62.03 C ATOM 0 H THR A 19 -0.539 -3.758 -0.405 1.00 54.11 H new ATOM 0 HA THR A 19 0.882 -6.385 -0.236 1.00 54.32 H new ATOM 0 HB THR A 19 2.016 -3.945 -1.558 1.00 11.42 H new ATOM 0 HG1 THR A 19 0.643 -5.946 -3.081 1.00 3.03 H new ATOM 0 HG21 THR A 19 3.076 -5.641 -3.004 1.00 62.03 H new ATOM 0 HG22 THR A 19 3.393 -6.004 -1.291 1.00 62.03 H new ATOM 0 HG23 THR A 19 2.162 -6.929 -2.183 1.00 62.03 H new ATOM 253 N MET A 20 2.763 -5.397 1.172 1.00 54.22 N ATOM 254 CA MET A 20 3.574 -5.009 2.313 1.00 41.41 C ATOM 255 C MET A 20 4.949 -4.510 1.864 1.00 50.44 C ATOM 256 O MET A 20 5.653 -5.198 1.126 1.00 14.01 O ATOM 257 CB MET A 20 3.746 -6.207 3.248 1.00 4.13 C ATOM 258 CG MET A 20 2.389 -6.752 3.697 1.00 52.11 C ATOM 259 SD MET A 20 2.619 -8.035 4.916 1.00 72.53 S ATOM 260 CE MET A 20 1.276 -9.126 4.474 1.00 23.04 C ATOM 0 H MET A 20 3.145 -6.163 0.618 1.00 54.22 H new ATOM 0 HA MET A 20 3.067 -4.198 2.836 1.00 41.41 H new ATOM 0 HB2 MET A 20 4.307 -6.992 2.740 1.00 4.13 H new ATOM 0 HB3 MET A 20 4.330 -5.911 4.120 1.00 4.13 H new ATOM 0 HG2 MET A 20 1.785 -5.947 4.114 1.00 52.11 H new ATOM 0 HG3 MET A 20 1.845 -7.147 2.839 1.00 52.11 H new ATOM 0 HE1 MET A 20 1.273 -9.988 5.141 1.00 23.04 H new ATOM 0 HE2 MET A 20 0.329 -8.593 4.565 1.00 23.04 H new ATOM 0 HE3 MET A 20 1.405 -9.464 3.446 1.00 23.04 H new ATOM 270 N GLU A 21 5.290 -3.316 2.327 1.00 24.32 N ATOM 271 CA GLU A 21 6.569 -2.717 1.982 1.00 35.13 C ATOM 272 C GLU A 21 7.589 -2.966 3.095 1.00 52.20 C ATOM 273 O GLU A 21 7.345 -2.628 4.252 1.00 2.33 O ATOM 274 CB GLU A 21 6.415 -1.221 1.704 1.00 41.44 C ATOM 275 CG GLU A 21 7.767 -0.508 1.777 1.00 11.32 C ATOM 276 CD GLU A 21 7.652 0.938 1.290 1.00 74.15 C ATOM 277 OE1 GLU A 21 7.773 1.197 0.083 1.00 63.20 O ATOM 278 OE2 GLU A 21 7.426 1.809 2.214 1.00 31.21 O ATOM 0 H GLU A 21 4.703 -2.747 2.938 1.00 24.32 H new ATOM 0 HA GLU A 21 6.935 -3.187 1.069 1.00 35.13 H new ATOM 0 HB2 GLU A 21 5.975 -1.074 0.718 1.00 41.44 H new ATOM 0 HB3 GLU A 21 5.729 -0.782 2.428 1.00 41.44 H new ATOM 0 HG2 GLU A 21 8.134 -0.522 2.803 1.00 11.32 H new ATOM 0 HG3 GLU A 21 8.497 -1.043 1.170 1.00 11.32 H new ATOM 286 N TYR A 22 8.710 -3.555 2.705 1.00 12.24 N ATOM 287 CA TYR A 22 9.768 -3.853 3.656 1.00 40.34 C ATOM 288 C TYR A 22 11.033 -3.054 3.336 1.00 40.43 C ATOM 289 O TYR A 22 11.302 -2.749 2.175 1.00 63.22 O ATOM 290 CB TYR A 22 10.068 -5.345 3.498 1.00 3.43 C ATOM 291 CG TYR A 22 8.825 -6.236 3.526 1.00 50.22 C ATOM 292 CD1 TYR A 22 8.061 -6.389 2.387 1.00 35.10 C ATOM 293 CD2 TYR A 22 8.468 -6.886 4.689 1.00 32.54 C ATOM 294 CE1 TYR A 22 6.890 -7.228 2.413 1.00 43.22 C ATOM 295 CE2 TYR A 22 7.298 -7.725 4.715 1.00 34.22 C ATOM 296 CZ TYR A 22 6.567 -7.854 3.576 1.00 74.53 C ATOM 297 OH TYR A 22 5.461 -8.647 3.600 1.00 4.41 O ATOM 0 H TYR A 22 8.909 -3.834 1.744 1.00 12.24 H new ATOM 0 HA TYR A 22 9.459 -3.593 4.669 1.00 40.34 H new ATOM 0 HB2 TYR A 22 10.594 -5.502 2.556 1.00 3.43 H new ATOM 0 HB3 TYR A 22 10.743 -5.656 4.295 1.00 3.43 H new ATOM 0 HD1 TYR A 22 8.341 -5.880 1.476 1.00 35.10 H new ATOM 0 HD2 TYR A 22 9.066 -6.766 5.580 1.00 32.54 H new ATOM 0 HE1 TYR A 22 6.283 -7.357 1.529 1.00 43.22 H new ATOM 0 HE2 TYR A 22 7.008 -8.240 5.619 1.00 34.22 H new ATOM 0 HH TYR A 22 4.985 -8.519 4.447 1.00 4.41 H new ATOM 307 N LYS A 23 11.776 -2.737 4.386 1.00 13.32 N ATOM 308 CA LYS A 23 13.006 -1.979 4.232 1.00 52.12 C ATOM 309 C LYS A 23 14.201 -2.927 4.347 1.00 44.42 C ATOM 310 O LYS A 23 14.436 -3.510 5.404 1.00 5.40 O ATOM 311 CB LYS A 23 13.046 -0.815 5.224 1.00 1.10 C ATOM 312 CG LYS A 23 13.810 0.376 4.641 1.00 13.13 C ATOM 313 CD LYS A 23 14.512 1.170 5.745 1.00 63.24 C ATOM 314 CE LYS A 23 13.623 2.305 6.254 1.00 13.44 C ATOM 315 NZ LYS A 23 13.722 3.482 5.362 1.00 2.12 N ATOM 0 H LYS A 23 11.550 -2.991 5.347 1.00 13.32 H new ATOM 0 HA LYS A 23 13.053 -1.525 3.242 1.00 52.12 H new ATOM 0 HB2 LYS A 23 12.030 -0.512 5.476 1.00 1.10 H new ATOM 0 HB3 LYS A 23 13.521 -1.138 6.150 1.00 1.10 H new ATOM 0 HG2 LYS A 23 14.545 0.022 3.918 1.00 13.13 H new ATOM 0 HG3 LYS A 23 13.121 1.026 4.102 1.00 13.13 H new ATOM 0 HD2 LYS A 23 14.767 0.505 6.570 1.00 63.24 H new ATOM 0 HD3 LYS A 23 15.448 1.579 5.365 1.00 63.24 H new ATOM 0 HE2 LYS A 23 12.588 1.968 6.307 1.00 13.44 H new ATOM 0 HE3 LYS A 23 13.920 2.582 7.265 1.00 13.44 H new ATOM 0 HZ1 LYS A 23 13.112 4.243 5.723 1.00 2.12 H new ATOM 0 HZ2 LYS A 23 14.707 3.813 5.332 1.00 2.12 H new ATOM 0 HZ3 LYS A 23 13.416 3.218 4.404 1.00 2.12 H new ATOM 328 N LEU A 24 14.925 -3.051 3.244 1.00 23.11 N ATOM 329 CA LEU A 24 16.091 -3.918 3.208 1.00 72.12 C ATOM 330 C LEU A 24 17.353 -3.078 3.412 1.00 12.42 C ATOM 331 O LEU A 24 17.694 -2.248 2.570 1.00 32.32 O ATOM 332 CB LEU A 24 16.104 -4.744 1.920 1.00 30.32 C ATOM 333 CG LEU A 24 17.341 -5.616 1.696 1.00 71.45 C ATOM 334 CD1 LEU A 24 18.441 -4.833 0.977 1.00 52.05 C ATOM 335 CD2 LEU A 24 17.834 -6.219 3.013 1.00 52.32 C ATOM 0 H LEU A 24 14.727 -2.566 2.369 1.00 23.11 H new ATOM 0 HA LEU A 24 16.054 -4.641 4.023 1.00 72.12 H new ATOM 0 HB2 LEU A 24 15.224 -5.388 1.916 1.00 30.32 H new ATOM 0 HB3 LEU A 24 16.005 -4.064 1.074 1.00 30.32 H new ATOM 0 HG LEU A 24 17.060 -6.446 1.048 1.00 71.45 H new ATOM 0 HD11 LEU A 24 19.309 -5.476 0.830 1.00 52.05 H new ATOM 0 HD12 LEU A 24 18.073 -4.494 0.009 1.00 52.05 H new ATOM 0 HD13 LEU A 24 18.726 -3.970 1.579 1.00 52.05 H new ATOM 0 HD21 LEU A 24 18.714 -6.834 2.825 1.00 52.32 H new ATOM 0 HD22 LEU A 24 18.093 -5.418 3.706 1.00 52.32 H new ATOM 0 HD23 LEU A 24 17.047 -6.835 3.448 1.00 52.32 H new ATOM 347 N ILE A 25 18.012 -3.321 4.536 1.00 72.15 N ATOM 348 CA ILE A 25 19.229 -2.597 4.861 1.00 32.13 C ATOM 349 C ILE A 25 20.411 -3.568 4.858 1.00 62.02 C ATOM 350 O ILE A 25 20.392 -4.578 5.560 1.00 0.41 O ATOM 351 CB ILE A 25 19.063 -1.835 6.178 1.00 53.15 C ATOM 352 CG1 ILE A 25 17.943 -0.798 6.073 1.00 13.20 C ATOM 353 CG2 ILE A 25 20.386 -1.207 6.618 1.00 44.40 C ATOM 354 CD1 ILE A 25 17.257 -0.594 7.425 1.00 15.32 C ATOM 0 H ILE A 25 17.726 -4.009 5.233 1.00 72.15 H new ATOM 0 HA ILE A 25 19.436 -1.840 4.104 1.00 32.13 H new ATOM 0 HB ILE A 25 18.772 -2.547 6.951 1.00 53.15 H new ATOM 0 HG12 ILE A 25 18.351 0.150 5.722 1.00 13.20 H new ATOM 0 HG13 ILE A 25 17.210 -1.123 5.334 1.00 13.20 H new ATOM 0 HG21 ILE A 25 20.240 -0.672 7.556 1.00 44.40 H new ATOM 0 HG22 ILE A 25 21.131 -1.990 6.759 1.00 44.40 H new ATOM 0 HG23 ILE A 25 20.731 -0.511 5.853 1.00 44.40 H new ATOM 0 HD11 ILE A 25 16.465 0.148 7.323 1.00 15.32 H new ATOM 0 HD12 ILE A 25 16.829 -1.538 7.762 1.00 15.32 H new ATOM 0 HD13 ILE A 25 17.988 -0.246 8.155 1.00 15.32 H new ATOM 366 N LEU A 26 21.412 -3.228 4.059 1.00 23.32 N ATOM 367 CA LEU A 26 22.601 -4.057 3.955 1.00 70.50 C ATOM 368 C LEU A 26 23.794 -3.308 4.552 1.00 31.43 C ATOM 369 O LEU A 26 24.254 -2.316 3.989 1.00 72.41 O ATOM 370 CB LEU A 26 22.817 -4.504 2.508 1.00 64.32 C ATOM 371 CG LEU A 26 21.555 -4.860 1.720 1.00 40.34 C ATOM 372 CD1 LEU A 26 21.075 -3.669 0.887 1.00 64.32 C ATOM 373 CD2 LEU A 26 21.777 -6.107 0.862 1.00 41.01 C ATOM 0 H LEU A 26 21.424 -2.390 3.478 1.00 23.32 H new ATOM 0 HA LEU A 26 22.478 -4.973 4.533 1.00 70.50 H new ATOM 0 HB2 LEU A 26 23.340 -3.709 1.977 1.00 64.32 H new ATOM 0 HB3 LEU A 26 23.476 -5.372 2.511 1.00 64.32 H new ATOM 0 HG LEU A 26 20.764 -5.096 2.431 1.00 40.34 H new ATOM 0 HD11 LEU A 26 20.177 -3.948 0.337 1.00 64.32 H new ATOM 0 HD12 LEU A 26 20.850 -2.831 1.546 1.00 64.32 H new ATOM 0 HD13 LEU A 26 21.856 -3.379 0.184 1.00 64.32 H new ATOM 0 HD21 LEU A 26 20.864 -6.338 0.312 1.00 41.01 H new ATOM 0 HD22 LEU A 26 22.588 -5.924 0.157 1.00 41.01 H new ATOM 0 HD23 LEU A 26 22.037 -6.949 1.504 1.00 41.01 H new ATOM 385 N ASN A 27 24.261 -3.812 5.685 1.00 10.02 N ATOM 386 CA ASN A 27 25.392 -3.203 6.365 1.00 14.11 C ATOM 387 C ASN A 27 26.641 -4.055 6.132 1.00 52.12 C ATOM 388 O ASN A 27 26.828 -5.081 6.784 1.00 13.44 O ATOM 389 CB ASN A 27 25.149 -3.123 7.873 1.00 1.55 C ATOM 390 CG ASN A 27 24.627 -1.741 8.272 1.00 14.20 C ATOM 391 OD1 ASN A 27 25.171 -0.713 7.905 1.00 44.14 O ATOM 392 ND2 ASN A 27 23.543 -1.774 9.042 1.00 11.32 N ATOM 0 H ASN A 27 23.877 -4.635 6.149 1.00 10.02 H new ATOM 0 HA ASN A 27 25.523 -2.197 5.967 1.00 14.11 H new ATOM 0 HB2 ASN A 27 24.430 -3.887 8.170 1.00 1.55 H new ATOM 0 HB3 ASN A 27 26.076 -3.333 8.406 1.00 1.55 H new ATOM 0 HD21 ASN A 27 23.117 -0.904 9.361 1.00 11.32 H new ATOM 0 HD22 ASN A 27 23.137 -2.670 9.313 1.00 11.32 H new ATOM 399 N GLY A 28 27.464 -3.598 5.199 1.00 34.51 N ATOM 400 CA GLY A 28 28.690 -4.306 4.872 1.00 72.05 C ATOM 401 C GLY A 28 29.868 -3.337 4.757 1.00 3.11 C ATOM 402 O GLY A 28 29.679 -2.154 4.476 1.00 21.43 O ATOM 0 H GLY A 28 27.306 -2.747 4.660 1.00 34.51 H new ATOM 0 HA2 GLY A 28 28.900 -5.050 5.640 1.00 72.05 H new ATOM 0 HA3 GLY A 28 28.564 -4.844 3.933 1.00 72.05 H new ATOM 406 N LYS A 29 31.059 -3.874 4.981 1.00 74.14 N ATOM 407 CA LYS A 29 32.268 -3.072 4.906 1.00 13.41 C ATOM 408 C LYS A 29 32.516 -2.665 3.452 1.00 11.22 C ATOM 409 O LYS A 29 32.974 -1.555 3.184 1.00 61.32 O ATOM 410 CB LYS A 29 33.443 -3.813 5.546 1.00 0.25 C ATOM 411 CG LYS A 29 33.045 -4.407 6.899 1.00 1.22 C ATOM 412 CD LYS A 29 32.425 -3.341 7.805 1.00 50.10 C ATOM 413 CE LYS A 29 30.904 -3.303 7.645 1.00 32.10 C ATOM 414 NZ LYS A 29 30.255 -2.987 8.937 1.00 54.10 N ATOM 0 H LYS A 29 31.212 -4.855 5.215 1.00 74.14 H new ATOM 0 HA LYS A 29 32.151 -2.152 5.479 1.00 13.41 H new ATOM 0 HB2 LYS A 29 33.782 -4.608 4.881 1.00 0.25 H new ATOM 0 HB3 LYS A 29 34.281 -3.129 5.678 1.00 0.25 H new ATOM 0 HG2 LYS A 29 32.334 -5.220 6.748 1.00 1.22 H new ATOM 0 HG3 LYS A 29 33.922 -4.836 7.384 1.00 1.22 H new ATOM 0 HD2 LYS A 29 32.680 -3.549 8.844 1.00 50.10 H new ATOM 0 HD3 LYS A 29 32.844 -2.364 7.563 1.00 50.10 H new ATOM 0 HE2 LYS A 29 30.629 -2.556 6.901 1.00 32.10 H new ATOM 0 HE3 LYS A 29 30.547 -4.265 7.277 1.00 32.10 H new ATOM 0 HZ1 LYS A 29 29.223 -2.965 8.811 1.00 54.10 H new ATOM 0 HZ2 LYS A 29 30.503 -3.715 9.637 1.00 54.10 H new ATOM 0 HZ3 LYS A 29 30.583 -2.059 9.272 1.00 54.10 H new ATOM 427 N THR A 30 32.202 -3.585 2.552 1.00 42.10 N ATOM 428 CA THR A 30 32.385 -3.336 1.132 1.00 25.02 C ATOM 429 C THR A 30 31.047 -2.997 0.473 1.00 0.12 C ATOM 430 O THR A 30 31.012 -2.347 -0.571 1.00 31.23 O ATOM 431 CB THR A 30 33.070 -4.561 0.522 1.00 2.40 C ATOM 432 OG1 THR A 30 32.024 -5.521 0.404 1.00 10.24 O ATOM 433 CG2 THR A 30 34.068 -5.212 1.482 1.00 60.35 C ATOM 0 H THR A 30 31.822 -4.504 2.778 1.00 42.10 H new ATOM 0 HA THR A 30 33.024 -2.469 0.961 1.00 25.02 H new ATOM 0 HB THR A 30 33.584 -4.271 -0.394 1.00 2.40 H new ATOM 0 HG1 THR A 30 32.380 -6.347 0.015 1.00 10.24 H new ATOM 0 HG21 THR A 30 34.526 -6.076 1.000 1.00 60.35 H new ATOM 0 HG22 THR A 30 34.842 -4.491 1.746 1.00 60.35 H new ATOM 0 HG23 THR A 30 33.548 -5.533 2.385 1.00 60.35 H new ATOM 441 N LEU A 31 29.978 -3.452 1.110 1.00 22.21 N ATOM 442 CA LEU A 31 28.641 -3.205 0.599 1.00 73.22 C ATOM 443 C LEU A 31 27.758 -2.669 1.728 1.00 24.52 C ATOM 444 O LEU A 31 27.330 -3.426 2.598 1.00 31.21 O ATOM 445 CB LEU A 31 28.084 -4.462 -0.074 1.00 14.45 C ATOM 446 CG LEU A 31 27.299 -4.238 -1.368 1.00 14.13 C ATOM 447 CD1 LEU A 31 26.068 -3.364 -1.118 1.00 50.13 C ATOM 448 CD2 LEU A 31 28.199 -3.661 -2.462 1.00 72.32 C ATOM 0 H LEU A 31 30.011 -3.990 1.976 1.00 22.21 H new ATOM 0 HA LEU A 31 28.665 -2.440 -0.177 1.00 73.22 H new ATOM 0 HB2 LEU A 31 28.915 -5.134 -0.288 1.00 14.45 H new ATOM 0 HB3 LEU A 31 27.435 -4.974 0.637 1.00 14.45 H new ATOM 0 HG LEU A 31 26.941 -5.205 -1.722 1.00 14.13 H new ATOM 0 HD11 LEU A 31 25.528 -3.220 -2.054 1.00 50.13 H new ATOM 0 HD12 LEU A 31 25.416 -3.852 -0.394 1.00 50.13 H new ATOM 0 HD13 LEU A 31 26.382 -2.396 -0.728 1.00 50.13 H new ATOM 0 HD21 LEU A 31 27.616 -3.511 -3.371 1.00 72.32 H new ATOM 0 HD22 LEU A 31 28.607 -2.706 -2.131 1.00 72.32 H new ATOM 0 HD23 LEU A 31 29.016 -4.354 -2.664 1.00 72.32 H new ATOM 460 N LYS A 32 27.513 -1.368 1.678 1.00 22.41 N ATOM 461 CA LYS A 32 26.690 -0.723 2.686 1.00 12.32 C ATOM 462 C LYS A 32 25.677 0.196 1.999 1.00 32.44 C ATOM 463 O LYS A 32 26.056 1.084 1.237 1.00 34.25 O ATOM 464 CB LYS A 32 27.566 -0.009 3.717 1.00 24.13 C ATOM 465 CG LYS A 32 28.860 0.501 3.078 1.00 31.25 C ATOM 466 CD LYS A 32 29.808 1.068 4.137 1.00 33.01 C ATOM 467 CE LYS A 32 30.624 2.234 3.574 1.00 34.44 C ATOM 468 NZ LYS A 32 31.589 1.750 2.562 1.00 32.32 N ATOM 0 H LYS A 32 27.870 -0.743 0.955 1.00 22.41 H new ATOM 0 HA LYS A 32 26.121 -1.466 3.245 1.00 12.32 H new ATOM 0 HB2 LYS A 32 27.016 0.827 4.150 1.00 24.13 H new ATOM 0 HB3 LYS A 32 27.804 -0.692 4.533 1.00 24.13 H new ATOM 0 HG2 LYS A 32 29.351 -0.312 2.543 1.00 31.25 H new ATOM 0 HG3 LYS A 32 28.628 1.271 2.343 1.00 31.25 H new ATOM 0 HD2 LYS A 32 29.235 1.404 5.001 1.00 33.01 H new ATOM 0 HD3 LYS A 32 30.480 0.284 4.486 1.00 33.01 H new ATOM 0 HE2 LYS A 32 29.956 2.970 3.126 1.00 34.44 H new ATOM 0 HE3 LYS A 32 31.156 2.737 4.382 1.00 34.44 H new ATOM 0 HZ1 LYS A 32 32.146 2.551 2.203 1.00 32.32 H new ATOM 0 HZ2 LYS A 32 32.226 1.052 2.996 1.00 32.32 H new ATOM 0 HZ3 LYS A 32 31.074 1.306 1.775 1.00 32.32 H new ATOM 481 N GLY A 33 24.409 -0.050 2.294 1.00 73.20 N ATOM 482 CA GLY A 33 23.338 0.743 1.714 1.00 4.44 C ATOM 483 C GLY A 33 21.975 0.296 2.245 1.00 72.10 C ATOM 484 O GLY A 33 21.894 -0.606 3.077 1.00 22.32 O ATOM 0 H GLY A 33 24.099 -0.787 2.927 1.00 73.20 H new ATOM 0 HA2 GLY A 33 23.495 1.797 1.945 1.00 4.44 H new ATOM 0 HA3 GLY A 33 23.358 0.649 0.628 1.00 4.44 H new ATOM 488 N GLU A 34 20.937 0.947 1.742 1.00 52.45 N ATOM 489 CA GLU A 34 19.581 0.628 2.154 1.00 32.23 C ATOM 490 C GLU A 34 18.655 0.570 0.937 1.00 22.25 C ATOM 491 O GLU A 34 19.039 0.974 -0.159 1.00 25.40 O ATOM 492 CB GLU A 34 19.069 1.637 3.185 1.00 62.44 C ATOM 493 CG GLU A 34 18.592 2.921 2.504 1.00 1.22 C ATOM 494 CD GLU A 34 18.888 4.145 3.374 1.00 33.30 C ATOM 495 OE1 GLU A 34 19.537 5.093 2.909 1.00 3.35 O ATOM 496 OE2 GLU A 34 18.415 4.088 4.573 1.00 1.30 O ATOM 0 H GLU A 34 21.008 1.695 1.052 1.00 52.45 H new ATOM 0 HA GLU A 34 19.588 -0.354 2.627 1.00 32.23 H new ATOM 0 HB2 GLU A 34 18.250 1.197 3.754 1.00 62.44 H new ATOM 0 HB3 GLU A 34 19.862 1.871 3.896 1.00 62.44 H new ATOM 0 HG2 GLU A 34 19.085 3.029 1.538 1.00 1.22 H new ATOM 0 HG3 GLU A 34 17.521 2.858 2.310 1.00 1.22 H new ATOM 504 N THR A 35 17.453 0.064 1.172 1.00 42.12 N ATOM 505 CA THR A 35 16.470 -0.052 0.108 1.00 32.04 C ATOM 506 C THR A 35 15.150 -0.594 0.660 1.00 74.12 C ATOM 507 O THR A 35 15.051 -0.912 1.844 1.00 42.11 O ATOM 508 CB THR A 35 17.070 -0.923 -0.997 1.00 53.23 C ATOM 509 OG1 THR A 35 15.956 -1.253 -1.822 1.00 53.44 O ATOM 510 CG2 THR A 35 17.561 -2.275 -0.476 1.00 52.03 C ATOM 0 H THR A 35 17.138 -0.270 2.083 1.00 42.12 H new ATOM 0 HA THR A 35 16.232 0.922 -0.320 1.00 32.04 H new ATOM 0 HB THR A 35 17.898 -0.393 -1.467 1.00 53.23 H new ATOM 0 HG1 THR A 35 15.765 -0.507 -2.428 1.00 53.44 H new ATOM 0 HG21 THR A 35 17.977 -2.853 -1.301 1.00 52.03 H new ATOM 0 HG22 THR A 35 18.330 -2.116 0.280 1.00 52.03 H new ATOM 0 HG23 THR A 35 16.726 -2.820 -0.036 1.00 52.03 H new ATOM 518 N THR A 36 14.168 -0.683 -0.225 1.00 53.02 N ATOM 519 CA THR A 36 12.858 -1.181 0.158 1.00 74.10 C ATOM 520 C THR A 36 12.213 -1.937 -1.006 1.00 23.24 C ATOM 521 O THR A 36 12.541 -1.694 -2.166 1.00 21.21 O ATOM 522 CB THR A 36 12.025 0.006 0.647 1.00 70.32 C ATOM 523 OG1 THR A 36 11.632 0.671 -0.551 1.00 31.34 O ATOM 524 CG2 THR A 36 12.867 1.045 1.391 1.00 75.41 C ATOM 0 H THR A 36 14.253 -0.419 -1.206 1.00 53.02 H new ATOM 0 HA THR A 36 12.932 -1.902 0.972 1.00 74.10 H new ATOM 0 HB THR A 36 11.230 -0.353 1.301 1.00 70.32 H new ATOM 0 HG1 THR A 36 11.086 1.453 -0.327 1.00 31.34 H new ATOM 0 HG21 THR A 36 12.228 1.866 1.716 1.00 75.41 H new ATOM 0 HG22 THR A 36 13.333 0.581 2.260 1.00 75.41 H new ATOM 0 HG23 THR A 36 13.641 1.429 0.727 1.00 75.41 H new ATOM 532 N THR A 37 11.308 -2.839 -0.655 1.00 2.14 N ATOM 533 CA THR A 37 10.615 -3.632 -1.655 1.00 71.23 C ATOM 534 C THR A 37 9.183 -3.927 -1.204 1.00 22.01 C ATOM 535 O THR A 37 8.907 -3.996 -0.007 1.00 45.01 O ATOM 536 CB THR A 37 11.442 -4.893 -1.915 1.00 51.12 C ATOM 537 OG1 THR A 37 10.817 -5.491 -3.048 1.00 10.51 O ATOM 538 CG2 THR A 37 11.282 -5.937 -0.808 1.00 4.52 C ATOM 0 H THR A 37 11.039 -3.038 0.309 1.00 2.14 H new ATOM 0 HA THR A 37 10.521 -3.088 -2.595 1.00 71.23 H new ATOM 0 HB THR A 37 12.494 -4.623 -2.011 1.00 51.12 H new ATOM 0 HG1 THR A 37 10.931 -6.464 -3.009 1.00 10.51 H new ATOM 0 HG21 THR A 37 11.890 -6.811 -1.042 1.00 4.52 H new ATOM 0 HG22 THR A 37 11.607 -5.513 0.142 1.00 4.52 H new ATOM 0 HG23 THR A 37 10.235 -6.232 -0.734 1.00 4.52 H new ATOM 546 N CYS A 38 8.310 -4.093 -2.186 1.00 35.10 N ATOM 547 CA CYS A 38 6.913 -4.379 -1.905 1.00 11.01 C ATOM 548 C CYS A 38 6.612 -5.806 -2.366 1.00 65.50 C ATOM 549 O CYS A 38 7.023 -6.211 -3.453 1.00 2.04 O ATOM 550 CB CYS A 38 5.983 -3.359 -2.564 1.00 51.42 C ATOM 551 SG CYS A 38 6.006 -1.695 -1.803 1.00 2.32 S ATOM 0 H CYS A 38 8.543 -4.035 -3.177 1.00 35.10 H new ATOM 0 HA CYS A 38 6.732 -4.299 -0.833 1.00 11.01 H new ATOM 0 HB2 CYS A 38 6.255 -3.266 -3.615 1.00 51.42 H new ATOM 0 HB3 CYS A 38 4.964 -3.744 -2.532 1.00 51.42 H new ATOM 556 N ALA A 39 5.898 -6.531 -1.517 1.00 3.41 N ATOM 557 CA ALA A 39 5.538 -7.905 -1.824 1.00 2.53 C ATOM 558 C ALA A 39 4.173 -8.219 -1.208 1.00 40.25 C ATOM 559 O ALA A 39 3.765 -7.585 -0.237 1.00 4.35 O ATOM 560 CB ALA A 39 6.635 -8.845 -1.320 1.00 41.40 C ATOM 0 H ALA A 39 5.559 -6.193 -0.616 1.00 3.41 H new ATOM 0 HA ALA A 39 5.455 -8.049 -2.901 1.00 2.53 H new ATOM 0 HB1 ALA A 39 6.365 -9.876 -1.550 1.00 41.40 H new ATOM 0 HB2 ALA A 39 7.578 -8.599 -1.809 1.00 41.40 H new ATOM 0 HB3 ALA A 39 6.745 -8.731 -0.242 1.00 41.40 H new ATOM 566 N VAL A 40 3.504 -9.198 -1.800 1.00 43.31 N ATOM 567 CA VAL A 40 2.193 -9.604 -1.322 1.00 45.13 C ATOM 568 C VAL A 40 2.342 -10.300 0.032 1.00 63.42 C ATOM 569 O VAL A 40 1.525 -10.102 0.929 1.00 34.20 O ATOM 570 CB VAL A 40 1.502 -10.477 -2.371 1.00 72.21 C ATOM 571 CG1 VAL A 40 1.841 -11.955 -2.164 1.00 42.44 C ATOM 572 CG2 VAL A 40 -0.012 -10.255 -2.357 1.00 60.14 C ATOM 0 H VAL A 40 3.845 -9.722 -2.606 1.00 43.31 H new ATOM 0 HA VAL A 40 1.554 -8.734 -1.171 1.00 45.13 H new ATOM 0 HB VAL A 40 1.875 -10.182 -3.352 1.00 72.21 H new ATOM 0 HG11 VAL A 40 1.337 -12.554 -2.923 1.00 42.44 H new ATOM 0 HG12 VAL A 40 2.919 -12.096 -2.247 1.00 42.44 H new ATOM 0 HG13 VAL A 40 1.509 -12.269 -1.174 1.00 42.44 H new ATOM 0 HG21 VAL A 40 -0.479 -10.887 -3.112 1.00 60.14 H new ATOM 0 HG22 VAL A 40 -0.408 -10.510 -1.374 1.00 60.14 H new ATOM 0 HG23 VAL A 40 -0.228 -9.209 -2.575 1.00 60.14 H new ATOM 582 N ASP A 41 3.392 -11.102 0.137 1.00 40.13 N ATOM 583 CA ASP A 41 3.659 -11.829 1.366 1.00 35.02 C ATOM 584 C ASP A 41 5.130 -11.656 1.747 1.00 22.01 C ATOM 585 O ASP A 41 5.998 -11.602 0.877 1.00 21.21 O ATOM 586 CB ASP A 41 3.388 -13.325 1.191 1.00 1.43 C ATOM 587 CG ASP A 41 1.932 -13.688 0.896 1.00 74.23 C ATOM 588 OD1 ASP A 41 1.648 -14.674 0.199 1.00 42.13 O ATOM 589 OD2 ASP A 41 1.056 -12.900 1.421 1.00 33.42 O ATOM 0 H ASP A 41 4.068 -11.264 -0.610 1.00 40.13 H new ATOM 0 HA ASP A 41 3.004 -11.432 2.141 1.00 35.02 H new ATOM 0 HB2 ASP A 41 4.012 -13.699 0.379 1.00 1.43 H new ATOM 0 HB3 ASP A 41 3.700 -13.844 2.098 1.00 1.43 H new ATOM 595 N ALA A 42 5.366 -11.574 3.048 1.00 11.33 N ATOM 596 CA ALA A 42 6.718 -11.408 3.555 1.00 14.01 C ATOM 597 C ALA A 42 7.594 -12.553 3.042 1.00 12.43 C ATOM 598 O ALA A 42 8.818 -12.438 3.015 1.00 2.23 O ATOM 599 CB ALA A 42 6.685 -11.338 5.083 1.00 21.01 C ATOM 0 H ALA A 42 4.644 -11.619 3.767 1.00 11.33 H new ATOM 0 HA ALA A 42 7.151 -10.475 3.195 1.00 14.01 H new ATOM 0 HB1 ALA A 42 7.699 -11.214 5.464 1.00 21.01 H new ATOM 0 HB2 ALA A 42 6.074 -10.491 5.395 1.00 21.01 H new ATOM 0 HB3 ALA A 42 6.259 -12.259 5.480 1.00 21.01 H new ATOM 605 N ALA A 43 6.932 -13.631 2.648 1.00 3.21 N ATOM 606 CA ALA A 43 7.636 -14.795 2.138 1.00 73.34 C ATOM 607 C ALA A 43 8.301 -14.441 0.806 1.00 11.12 C ATOM 608 O ALA A 43 9.467 -14.765 0.585 1.00 75.32 O ATOM 609 CB ALA A 43 6.659 -15.966 2.008 1.00 52.40 C ATOM 0 H ALA A 43 5.916 -13.723 2.672 1.00 3.21 H new ATOM 0 HA ALA A 43 8.422 -15.101 2.828 1.00 73.34 H new ATOM 0 HB1 ALA A 43 7.187 -16.840 1.625 1.00 52.40 H new ATOM 0 HB2 ALA A 43 6.236 -16.197 2.986 1.00 52.40 H new ATOM 0 HB3 ALA A 43 5.857 -15.696 1.320 1.00 52.40 H new ATOM 615 N THR A 44 7.531 -13.780 -0.046 1.00 2.32 N ATOM 616 CA THR A 44 8.031 -13.378 -1.349 1.00 44.35 C ATOM 617 C THR A 44 9.063 -12.258 -1.203 1.00 3.34 C ATOM 618 O THR A 44 10.103 -12.276 -1.860 1.00 75.13 O ATOM 619 CB THR A 44 6.832 -12.989 -2.217 1.00 23.24 C ATOM 620 OG1 THR A 44 6.308 -14.237 -2.662 1.00 55.25 O ATOM 621 CG2 THR A 44 7.248 -12.278 -3.506 1.00 11.32 C ATOM 0 H THR A 44 6.565 -13.513 0.141 1.00 2.32 H new ATOM 0 HA THR A 44 8.555 -14.198 -1.841 1.00 44.35 H new ATOM 0 HB THR A 44 6.165 -12.343 -1.646 1.00 23.24 H new ATOM 0 HG1 THR A 44 5.526 -14.079 -3.231 1.00 55.25 H new ATOM 0 HG21 THR A 44 6.360 -12.024 -4.084 1.00 11.32 H new ATOM 0 HG22 THR A 44 7.793 -11.367 -3.259 1.00 11.32 H new ATOM 0 HG23 THR A 44 7.888 -12.936 -4.094 1.00 11.32 H new ATOM 629 N ALA A 45 8.740 -11.309 -0.336 1.00 25.33 N ATOM 630 CA ALA A 45 9.627 -10.183 -0.094 1.00 35.20 C ATOM 631 C ALA A 45 10.930 -10.690 0.527 1.00 50.41 C ATOM 632 O ALA A 45 12.006 -10.178 0.223 1.00 44.22 O ATOM 633 CB ALA A 45 8.918 -9.157 0.793 1.00 62.31 C ATOM 0 H ALA A 45 7.877 -11.297 0.207 1.00 25.33 H new ATOM 0 HA ALA A 45 9.880 -9.685 -1.030 1.00 35.20 H new ATOM 0 HB1 ALA A 45 9.583 -8.312 0.975 1.00 62.31 H new ATOM 0 HB2 ALA A 45 8.015 -8.807 0.294 1.00 62.31 H new ATOM 0 HB3 ALA A 45 8.651 -9.620 1.743 1.00 62.31 H new ATOM 639 N GLU A 46 10.790 -11.689 1.386 1.00 40.34 N ATOM 640 CA GLU A 46 11.943 -12.270 2.052 1.00 41.01 C ATOM 641 C GLU A 46 12.946 -12.791 1.020 1.00 13.22 C ATOM 642 O GLU A 46 14.146 -12.547 1.137 1.00 15.32 O ATOM 643 CB GLU A 46 11.518 -13.382 3.013 1.00 1.32 C ATOM 644 CG GLU A 46 12.734 -14.006 3.702 1.00 53.42 C ATOM 645 CD GLU A 46 13.098 -13.236 4.973 1.00 25.41 C ATOM 646 OE1 GLU A 46 13.147 -11.997 4.956 1.00 72.44 O ATOM 647 OE2 GLU A 46 13.336 -13.972 6.006 1.00 13.41 O ATOM 0 H GLU A 46 9.896 -12.111 1.636 1.00 40.34 H new ATOM 0 HA GLU A 46 12.428 -11.492 2.641 1.00 41.01 H new ATOM 0 HB2 GLU A 46 10.838 -12.979 3.763 1.00 1.32 H new ATOM 0 HB3 GLU A 46 10.971 -14.150 2.467 1.00 1.32 H new ATOM 0 HG2 GLU A 46 12.522 -15.046 3.950 1.00 53.42 H new ATOM 0 HG3 GLU A 46 13.583 -14.008 3.018 1.00 53.42 H new ATOM 655 N LYS A 47 12.417 -13.499 0.033 1.00 14.21 N ATOM 656 CA LYS A 47 13.250 -14.056 -1.018 1.00 62.14 C ATOM 657 C LYS A 47 13.990 -12.923 -1.732 1.00 1.45 C ATOM 658 O LYS A 47 15.150 -13.076 -2.111 1.00 1.31 O ATOM 659 CB LYS A 47 12.416 -14.932 -1.956 1.00 2.41 C ATOM 660 CG LYS A 47 11.671 -16.016 -1.175 1.00 63.32 C ATOM 661 CD LYS A 47 10.478 -16.545 -1.974 1.00 11.25 C ATOM 662 CE LYS A 47 9.721 -17.615 -1.184 1.00 52.32 C ATOM 663 NZ LYS A 47 8.699 -16.991 -0.315 1.00 15.24 N ATOM 0 H LYS A 47 11.421 -13.700 -0.061 1.00 14.21 H new ATOM 0 HA LYS A 47 14.008 -14.715 -0.593 1.00 62.14 H new ATOM 0 HB2 LYS A 47 11.701 -14.313 -2.498 1.00 2.41 H new ATOM 0 HB3 LYS A 47 13.065 -15.395 -2.700 1.00 2.41 H new ATOM 0 HG2 LYS A 47 12.351 -16.836 -0.945 1.00 63.32 H new ATOM 0 HG3 LYS A 47 11.326 -15.611 -0.224 1.00 63.32 H new ATOM 0 HD2 LYS A 47 9.805 -15.723 -2.217 1.00 11.25 H new ATOM 0 HD3 LYS A 47 10.825 -16.963 -2.919 1.00 11.25 H new ATOM 0 HE2 LYS A 47 9.245 -18.314 -1.871 1.00 52.32 H new ATOM 0 HE3 LYS A 47 10.420 -18.191 -0.578 1.00 52.32 H new ATOM 0 HZ1 LYS A 47 8.160 -17.733 0.176 1.00 15.24 H new ATOM 0 HZ2 LYS A 47 9.165 -16.381 0.386 1.00 15.24 H new ATOM 0 HZ3 LYS A 47 8.052 -16.420 -0.895 1.00 15.24 H new ATOM 676 N VAL A 48 13.289 -11.810 -1.892 1.00 74.23 N ATOM 677 CA VAL A 48 13.864 -10.651 -2.553 1.00 64.22 C ATOM 678 C VAL A 48 15.025 -10.115 -1.713 1.00 0.31 C ATOM 679 O VAL A 48 16.075 -9.764 -2.250 1.00 33.12 O ATOM 680 CB VAL A 48 12.780 -9.604 -2.812 1.00 54.21 C ATOM 681 CG1 VAL A 48 13.342 -8.414 -3.592 1.00 13.41 C ATOM 682 CG2 VAL A 48 11.584 -10.221 -3.540 1.00 70.32 C ATOM 0 H VAL A 48 12.327 -11.686 -1.575 1.00 74.23 H new ATOM 0 HA VAL A 48 14.268 -10.928 -3.527 1.00 64.22 H new ATOM 0 HB VAL A 48 12.432 -9.237 -1.846 1.00 54.21 H new ATOM 0 HG11 VAL A 48 12.550 -7.684 -3.763 1.00 13.41 H new ATOM 0 HG12 VAL A 48 14.145 -7.950 -3.020 1.00 13.41 H new ATOM 0 HG13 VAL A 48 13.731 -8.758 -4.550 1.00 13.41 H new ATOM 0 HG21 VAL A 48 10.828 -9.455 -3.712 1.00 70.32 H new ATOM 0 HG22 VAL A 48 11.911 -10.629 -4.496 1.00 70.32 H new ATOM 0 HG23 VAL A 48 11.160 -11.019 -2.931 1.00 70.32 H new ATOM 692 N PHE A 49 14.797 -10.068 -0.409 1.00 0.44 N ATOM 693 CA PHE A 49 15.811 -9.580 0.511 1.00 13.31 C ATOM 694 C PHE A 49 17.019 -10.518 0.544 1.00 73.11 C ATOM 695 O PHE A 49 18.162 -10.064 0.560 1.00 73.11 O ATOM 696 CB PHE A 49 15.172 -9.541 1.901 1.00 41.01 C ATOM 697 CG PHE A 49 16.182 -9.564 3.050 1.00 34.34 C ATOM 698 CD1 PHE A 49 17.392 -8.962 2.905 1.00 42.24 C ATOM 699 CD2 PHE A 49 15.868 -10.188 4.218 1.00 45.51 C ATOM 700 CE1 PHE A 49 18.329 -8.984 3.971 1.00 1.43 C ATOM 701 CE2 PHE A 49 16.805 -10.209 5.285 1.00 64.33 C ATOM 702 CZ PHE A 49 18.016 -9.607 5.139 1.00 40.21 C ATOM 0 H PHE A 49 13.925 -10.360 0.033 1.00 0.44 H new ATOM 0 HA PHE A 49 16.158 -8.596 0.195 1.00 13.31 H new ATOM 0 HB2 PHE A 49 14.562 -8.641 1.984 1.00 41.01 H new ATOM 0 HB3 PHE A 49 14.499 -10.392 2.005 1.00 41.01 H new ATOM 0 HD1 PHE A 49 17.641 -8.467 1.978 1.00 42.24 H new ATOM 0 HD2 PHE A 49 14.907 -10.667 4.333 1.00 45.51 H new ATOM 0 HE1 PHE A 49 19.290 -8.506 3.855 1.00 1.43 H new ATOM 0 HE2 PHE A 49 16.556 -10.703 6.213 1.00 64.33 H new ATOM 0 HZ PHE A 49 18.729 -9.624 5.950 1.00 40.21 H new ATOM 712 N LYS A 50 16.724 -11.810 0.553 1.00 41.11 N ATOM 713 CA LYS A 50 17.772 -12.816 0.583 1.00 31.25 C ATOM 714 C LYS A 50 18.576 -12.749 -0.716 1.00 41.54 C ATOM 715 O LYS A 50 19.787 -12.962 -0.713 1.00 23.50 O ATOM 716 CB LYS A 50 17.180 -14.198 0.869 1.00 13.31 C ATOM 717 CG LYS A 50 16.552 -14.248 2.264 1.00 43.33 C ATOM 718 CD LYS A 50 16.239 -15.688 2.673 1.00 61.43 C ATOM 719 CE LYS A 50 14.794 -16.054 2.328 1.00 30.24 C ATOM 720 NZ LYS A 50 14.710 -17.459 1.871 1.00 30.43 N ATOM 0 H LYS A 50 15.775 -12.183 0.540 1.00 41.11 H new ATOM 0 HA LYS A 50 18.467 -12.617 1.399 1.00 31.25 H new ATOM 0 HB2 LYS A 50 16.427 -14.437 0.118 1.00 13.31 H new ATOM 0 HB3 LYS A 50 17.960 -14.955 0.790 1.00 13.31 H new ATOM 0 HG2 LYS A 50 17.232 -13.800 2.989 1.00 43.33 H new ATOM 0 HG3 LYS A 50 15.637 -13.656 2.276 1.00 43.33 H new ATOM 0 HD2 LYS A 50 16.922 -16.370 2.166 1.00 61.43 H new ATOM 0 HD3 LYS A 50 16.403 -15.810 3.744 1.00 61.43 H new ATOM 0 HE2 LYS A 50 14.158 -15.911 3.202 1.00 30.24 H new ATOM 0 HE3 LYS A 50 14.420 -15.389 1.549 1.00 30.24 H new ATOM 0 HZ1 LYS A 50 13.723 -17.691 1.641 1.00 30.43 H new ATOM 0 HZ2 LYS A 50 15.301 -17.585 1.025 1.00 30.43 H new ATOM 0 HZ3 LYS A 50 15.047 -18.090 2.626 1.00 30.43 H new ATOM 733 N GLN A 51 17.870 -12.450 -1.797 1.00 32.11 N ATOM 734 CA GLN A 51 18.503 -12.352 -3.101 1.00 53.41 C ATOM 735 C GLN A 51 19.323 -11.064 -3.197 1.00 3.20 C ATOM 736 O GLN A 51 20.309 -11.005 -3.931 1.00 14.41 O ATOM 737 CB GLN A 51 17.464 -12.424 -4.222 1.00 33.33 C ATOM 738 CG GLN A 51 18.093 -12.933 -5.521 1.00 14.44 C ATOM 739 CD GLN A 51 18.064 -14.461 -5.582 1.00 22.11 C ATOM 740 OE1 GLN A 51 17.253 -15.119 -4.951 1.00 52.51 O ATOM 741 NE2 GLN A 51 18.993 -14.988 -6.375 1.00 31.11 N ATOM 0 H GLN A 51 16.866 -12.272 -1.796 1.00 32.11 H new ATOM 0 HA GLN A 51 19.178 -13.200 -3.220 1.00 53.41 H new ATOM 0 HB2 GLN A 51 16.649 -13.084 -3.925 1.00 33.33 H new ATOM 0 HB3 GLN A 51 17.031 -11.437 -4.386 1.00 33.33 H new ATOM 0 HG2 GLN A 51 17.556 -12.521 -6.375 1.00 14.44 H new ATOM 0 HG3 GLN A 51 19.122 -12.582 -5.593 1.00 14.44 H new ATOM 0 HE21 GLN A 51 19.641 -14.380 -6.875 1.00 31.11 H new ATOM 0 HE22 GLN A 51 19.057 -16.000 -6.483 1.00 31.11 H new ATOM 750 N TYR A 52 18.887 -10.064 -2.445 1.00 32.42 N ATOM 751 CA TYR A 52 19.569 -8.781 -2.436 1.00 34.32 C ATOM 752 C TYR A 52 20.917 -8.882 -1.720 1.00 1.13 C ATOM 753 O TYR A 52 21.945 -8.486 -2.266 1.00 42.43 O ATOM 754 CB TYR A 52 18.661 -7.827 -1.657 1.00 1.00 C ATOM 755 CG TYR A 52 18.590 -6.417 -2.246 1.00 2.55 C ATOM 756 CD1 TYR A 52 17.646 -6.117 -3.207 1.00 5.42 C ATOM 757 CD2 TYR A 52 19.470 -5.444 -1.815 1.00 60.11 C ATOM 758 CE1 TYR A 52 17.580 -4.789 -3.761 1.00 33.13 C ATOM 759 CE2 TYR A 52 19.403 -4.117 -2.369 1.00 43.41 C ATOM 760 CZ TYR A 52 18.461 -3.855 -3.315 1.00 4.44 C ATOM 761 OH TYR A 52 18.398 -2.601 -3.838 1.00 4.23 O ATOM 0 H TYR A 52 18.069 -10.116 -1.837 1.00 32.42 H new ATOM 0 HA TYR A 52 19.759 -8.440 -3.454 1.00 34.32 H new ATOM 0 HB2 TYR A 52 17.655 -8.246 -1.622 1.00 1.00 H new ATOM 0 HB3 TYR A 52 19.016 -7.763 -0.628 1.00 1.00 H new ATOM 0 HD1 TYR A 52 16.957 -6.878 -3.544 1.00 5.42 H new ATOM 0 HD2 TYR A 52 20.208 -5.679 -1.062 1.00 60.11 H new ATOM 0 HE1 TYR A 52 16.847 -4.541 -4.514 1.00 33.13 H new ATOM 0 HE2 TYR A 52 20.085 -3.347 -2.041 1.00 43.41 H new ATOM 0 HH TYR A 52 19.087 -2.039 -3.425 1.00 4.23 H new ATOM 771 N ALA A 53 20.869 -9.414 -0.507 1.00 71.35 N ATOM 772 CA ALA A 53 22.074 -9.572 0.289 1.00 70.10 C ATOM 773 C ALA A 53 23.069 -10.453 -0.469 1.00 22.23 C ATOM 774 O ALA A 53 24.278 -10.236 -0.394 1.00 74.51 O ATOM 775 CB ALA A 53 21.709 -10.149 1.658 1.00 22.12 C ATOM 0 H ALA A 53 20.014 -9.741 -0.056 1.00 71.35 H new ATOM 0 HA ALA A 53 22.551 -8.607 0.459 1.00 70.10 H new ATOM 0 HB1 ALA A 53 22.613 -10.268 2.256 1.00 22.12 H new ATOM 0 HB2 ALA A 53 21.024 -9.472 2.167 1.00 22.12 H new ATOM 0 HB3 ALA A 53 21.230 -11.119 1.528 1.00 22.12 H new ATOM 781 N ASN A 54 22.524 -11.429 -1.181 1.00 2.42 N ATOM 782 CA ASN A 54 23.349 -12.343 -1.951 1.00 62.45 C ATOM 783 C ASN A 54 24.008 -11.582 -3.103 1.00 42.03 C ATOM 784 O ASN A 54 25.182 -11.797 -3.403 1.00 13.40 O ATOM 785 CB ASN A 54 22.508 -13.472 -2.551 1.00 12.11 C ATOM 786 CG ASN A 54 22.434 -14.667 -1.598 1.00 45.31 C ATOM 787 OD1 ASN A 54 22.794 -14.589 -0.435 1.00 23.21 O ATOM 788 ND2 ASN A 54 21.950 -15.773 -2.154 1.00 73.24 N ATOM 0 H ASN A 54 21.521 -11.606 -1.240 1.00 2.42 H new ATOM 0 HA ASN A 54 24.097 -12.767 -1.281 1.00 62.45 H new ATOM 0 HB2 ASN A 54 21.502 -13.108 -2.763 1.00 12.11 H new ATOM 0 HB3 ASN A 54 22.940 -13.786 -3.501 1.00 12.11 H new ATOM 0 HD21 ASN A 54 21.862 -16.625 -1.601 1.00 73.24 H new ATOM 0 HD22 ASN A 54 21.667 -15.769 -3.134 1.00 73.24 H new ATOM 795 N ASP A 55 23.225 -10.708 -3.718 1.00 35.22 N ATOM 796 CA ASP A 55 23.717 -9.914 -4.830 1.00 43.31 C ATOM 797 C ASP A 55 24.860 -9.019 -4.345 1.00 52.24 C ATOM 798 O ASP A 55 25.679 -8.566 -5.143 1.00 4.21 O ATOM 799 CB ASP A 55 22.617 -9.012 -5.393 1.00 70.12 C ATOM 800 CG ASP A 55 23.064 -8.068 -6.511 1.00 13.52 C ATOM 801 OD1 ASP A 55 23.581 -6.971 -6.251 1.00 51.24 O ATOM 802 OD2 ASP A 55 22.859 -8.504 -7.707 1.00 51.45 O ATOM 0 H ASP A 55 22.252 -10.532 -3.467 1.00 35.22 H new ATOM 0 HA ASP A 55 24.056 -10.598 -5.608 1.00 43.31 H new ATOM 0 HB2 ASP A 55 21.810 -9.640 -5.770 1.00 70.12 H new ATOM 0 HB3 ASP A 55 22.204 -8.417 -4.579 1.00 70.12 H new ATOM 808 N ASN A 56 24.877 -8.791 -3.040 1.00 44.14 N ATOM 809 CA ASN A 56 25.906 -7.958 -2.440 1.00 32.31 C ATOM 810 C ASN A 56 27.083 -8.838 -2.013 1.00 51.40 C ATOM 811 O ASN A 56 28.189 -8.342 -1.806 1.00 25.00 O ATOM 812 CB ASN A 56 25.377 -7.240 -1.197 1.00 32.43 C ATOM 813 CG ASN A 56 24.306 -6.213 -1.571 1.00 20.54 C ATOM 814 OD1 ASN A 56 23.535 -6.582 -2.590 1.00 75.34 O flip ATOM 815 ND2 ASN A 56 24.188 -5.156 -0.973 1.00 22.33 N flip ATOM 0 H ASN A 56 24.195 -9.168 -2.382 1.00 44.14 H new ATOM 0 HA ASN A 56 26.216 -7.219 -3.179 1.00 32.31 H new ATOM 0 HB2 ASN A 56 24.960 -7.969 -0.502 1.00 32.43 H new ATOM 0 HB3 ASN A 56 26.199 -6.742 -0.683 1.00 32.43 H new ATOM 0 HD21 ASN A 56 24.814 -4.935 -0.199 1.00 22.33 H new ATOM 0 HD22 ASN A 56 23.463 -4.493 -1.247 1.00 22.33 H new ATOM 822 N GLY A 57 26.804 -10.127 -1.894 1.00 61.40 N ATOM 823 CA GLY A 57 27.826 -11.080 -1.496 1.00 21.34 C ATOM 824 C GLY A 57 28.236 -10.867 -0.037 1.00 32.11 C ATOM 825 O GLY A 57 29.360 -11.186 0.349 1.00 55.41 O ATOM 0 H GLY A 57 25.885 -10.534 -2.066 1.00 61.40 H new ATOM 0 HA2 GLY A 57 27.453 -12.095 -1.628 1.00 21.34 H new ATOM 0 HA3 GLY A 57 28.698 -10.975 -2.142 1.00 21.34 H new ATOM 829 N VAL A 58 27.302 -10.330 0.734 1.00 10.32 N ATOM 830 CA VAL A 58 27.552 -10.070 2.142 1.00 72.21 C ATOM 831 C VAL A 58 26.628 -10.948 2.989 1.00 3.44 C ATOM 832 O VAL A 58 25.429 -11.025 2.729 1.00 72.52 O ATOM 833 CB VAL A 58 27.393 -8.577 2.435 1.00 13.00 C ATOM 834 CG1 VAL A 58 27.432 -8.307 3.940 1.00 3.53 C ATOM 835 CG2 VAL A 58 28.457 -7.758 1.702 1.00 3.04 C ATOM 0 H VAL A 58 26.371 -10.068 0.411 1.00 10.32 H new ATOM 0 HA VAL A 58 28.578 -10.330 2.403 1.00 72.21 H new ATOM 0 HB VAL A 58 26.417 -8.265 2.064 1.00 13.00 H new ATOM 0 HG11 VAL A 58 27.317 -7.238 4.121 1.00 3.53 H new ATOM 0 HG12 VAL A 58 26.621 -8.847 4.428 1.00 3.53 H new ATOM 0 HG13 VAL A 58 28.386 -8.643 4.345 1.00 3.53 H new ATOM 0 HG21 VAL A 58 28.321 -6.700 1.927 1.00 3.04 H new ATOM 0 HG22 VAL A 58 29.448 -8.074 2.028 1.00 3.04 H new ATOM 0 HG23 VAL A 58 28.361 -7.915 0.628 1.00 3.04 H new ATOM 845 N ASP A 59 27.223 -11.586 3.987 1.00 54.02 N ATOM 846 CA ASP A 59 26.468 -12.455 4.874 1.00 3.23 C ATOM 847 C ASP A 59 27.036 -12.346 6.291 1.00 52.10 C ATOM 848 O ASP A 59 28.252 -12.326 6.477 1.00 55.03 O ATOM 849 CB ASP A 59 26.573 -13.916 4.434 1.00 31.31 C ATOM 850 CG ASP A 59 25.627 -14.320 3.301 1.00 2.30 C ATOM 851 OD1 ASP A 59 25.763 -13.854 2.160 1.00 72.22 O ATOM 852 OD2 ASP A 59 24.707 -15.161 3.632 1.00 12.45 O ATOM 0 H ASP A 59 28.218 -11.518 4.201 1.00 54.02 H new ATOM 0 HA ASP A 59 25.424 -12.144 4.844 1.00 3.23 H new ATOM 0 HB2 ASP A 59 27.598 -14.112 4.119 1.00 31.31 H new ATOM 0 HB3 ASP A 59 26.377 -14.554 5.296 1.00 31.31 H new ATOM 858 N GLY A 60 26.128 -12.278 7.254 1.00 63.41 N ATOM 859 CA GLY A 60 26.523 -12.172 8.648 1.00 21.13 C ATOM 860 C GLY A 60 25.319 -12.353 9.575 1.00 71.55 C ATOM 861 O GLY A 60 24.700 -13.416 9.593 1.00 60.30 O ATOM 0 H GLY A 60 25.120 -12.294 7.096 1.00 63.41 H new ATOM 0 HA2 GLY A 60 27.277 -12.926 8.874 1.00 21.13 H new ATOM 0 HA3 GLY A 60 26.981 -11.199 8.827 1.00 21.13 H new ATOM 865 N GLU A 61 25.023 -11.300 10.321 1.00 53.43 N ATOM 866 CA GLU A 61 23.904 -11.329 11.247 1.00 34.21 C ATOM 867 C GLU A 61 22.654 -10.739 10.589 1.00 23.44 C ATOM 868 O GLU A 61 22.604 -9.544 10.304 1.00 65.12 O ATOM 869 CB GLU A 61 24.244 -10.588 12.542 1.00 54.25 C ATOM 870 CG GLU A 61 23.119 -10.734 13.569 1.00 62.32 C ATOM 871 CD GLU A 61 23.270 -9.711 14.696 1.00 30.03 C ATOM 872 OE1 GLU A 61 22.498 -8.743 14.762 1.00 0.11 O ATOM 873 OE2 GLU A 61 24.230 -9.950 15.524 1.00 11.34 O ATOM 0 H GLU A 61 25.539 -10.420 10.303 1.00 53.43 H new ATOM 0 HA GLU A 61 23.699 -12.368 11.505 1.00 34.21 H new ATOM 0 HB2 GLU A 61 25.173 -10.980 12.956 1.00 54.25 H new ATOM 0 HB3 GLU A 61 24.411 -9.532 12.328 1.00 54.25 H new ATOM 0 HG2 GLU A 61 22.155 -10.601 13.079 1.00 62.32 H new ATOM 0 HG3 GLU A 61 23.129 -11.742 13.984 1.00 62.32 H new ATOM 881 N TRP A 62 21.676 -11.605 10.368 1.00 22.33 N ATOM 882 CA TRP A 62 20.430 -11.185 9.750 1.00 64.15 C ATOM 883 C TRP A 62 19.417 -10.913 10.863 1.00 5.05 C ATOM 884 O TRP A 62 19.157 -11.780 11.696 1.00 24.03 O ATOM 885 CB TRP A 62 19.942 -12.225 8.739 1.00 44.44 C ATOM 886 CG TRP A 62 20.879 -12.418 7.544 1.00 34.31 C ATOM 887 CD1 TRP A 62 22.176 -12.753 7.558 1.00 30.34 C ATOM 888 CD2 TRP A 62 20.535 -12.274 6.150 1.00 75.11 C ATOM 889 NE1 TRP A 62 22.691 -12.835 6.281 1.00 63.32 N ATOM 890 CE2 TRP A 62 21.661 -12.535 5.397 1.00 3.31 C ATOM 891 CE3 TRP A 62 19.312 -11.935 5.545 1.00 55.11 C ATOM 892 CZ2 TRP A 62 21.677 -12.483 3.998 1.00 25.21 C ATOM 893 CZ3 TRP A 62 19.344 -11.888 4.146 1.00 3.40 C ATOM 894 CH2 TRP A 62 20.470 -12.147 3.374 1.00 64.13 C ATOM 0 H TRP A 62 21.721 -12.596 10.606 1.00 22.33 H new ATOM 0 HA TRP A 62 20.573 -10.268 9.179 1.00 64.15 H new ATOM 0 HB2 TRP A 62 19.817 -13.181 9.248 1.00 44.44 H new ATOM 0 HB3 TRP A 62 18.959 -11.928 8.373 1.00 44.44 H new ATOM 0 HD1 TRP A 62 22.747 -12.936 8.456 1.00 30.34 H new ATOM 0 HE1 TRP A 62 23.651 -13.072 6.031 1.00 63.32 H new ATOM 0 HE3 TRP A 62 18.418 -11.727 6.115 1.00 55.11 H new ATOM 0 HZ2 TRP A 62 22.572 -12.691 3.431 1.00 25.21 H new ATOM 0 HZ3 TRP A 62 18.430 -11.633 3.631 1.00 3.40 H new ATOM 0 HH2 TRP A 62 20.414 -12.089 2.297 1.00 64.13 H new ATOM 905 N THR A 63 18.873 -9.705 10.843 1.00 62.25 N ATOM 906 CA THR A 63 17.895 -9.308 11.840 1.00 15.04 C ATOM 907 C THR A 63 16.732 -8.564 11.181 1.00 42.44 C ATOM 908 O THR A 63 16.947 -7.672 10.361 1.00 13.20 O ATOM 909 CB THR A 63 18.616 -8.484 12.908 1.00 1.53 C ATOM 910 OG1 THR A 63 17.567 -8.006 13.746 1.00 31.32 O ATOM 911 CG2 THR A 63 19.246 -7.211 12.339 1.00 44.11 C ATOM 0 H THR A 63 19.092 -8.988 10.151 1.00 62.25 H new ATOM 0 HA THR A 63 17.450 -10.177 12.325 1.00 15.04 H new ATOM 0 HB THR A 63 19.388 -9.094 13.376 1.00 1.53 H new ATOM 0 HG1 THR A 63 17.947 -7.463 14.468 1.00 31.32 H new ATOM 0 HG21 THR A 63 19.745 -6.663 13.138 1.00 44.11 H new ATOM 0 HG22 THR A 63 19.974 -7.477 11.572 1.00 44.11 H new ATOM 0 HG23 THR A 63 18.469 -6.585 11.900 1.00 44.11 H new ATOM 919 N TYR A 64 15.526 -8.957 11.563 1.00 62.44 N ATOM 920 CA TYR A 64 14.329 -8.339 11.018 1.00 5.43 C ATOM 921 C TYR A 64 13.352 -7.960 12.133 1.00 22.31 C ATOM 922 O TYR A 64 13.158 -8.723 13.078 1.00 32.03 O ATOM 923 CB TYR A 64 13.679 -9.395 10.123 1.00 52.43 C ATOM 924 CG TYR A 64 12.158 -9.265 10.012 1.00 24.40 C ATOM 925 CD1 TYR A 64 11.603 -8.465 9.035 1.00 41.44 C ATOM 926 CD2 TYR A 64 11.342 -9.950 10.889 1.00 10.45 C ATOM 927 CE1 TYR A 64 10.172 -8.343 8.930 1.00 0.04 C ATOM 928 CE2 TYR A 64 9.911 -9.828 10.785 1.00 31.13 C ATOM 929 CZ TYR A 64 9.397 -9.031 9.811 1.00 54.21 C ATOM 930 OH TYR A 64 8.045 -8.916 9.713 1.00 40.15 O ATOM 0 H TYR A 64 15.352 -9.696 12.244 1.00 62.44 H new ATOM 0 HA TYR A 64 14.581 -7.428 10.474 1.00 5.43 H new ATOM 0 HB2 TYR A 64 14.113 -9.328 9.125 1.00 52.43 H new ATOM 0 HB3 TYR A 64 13.922 -10.384 10.511 1.00 52.43 H new ATOM 0 HD1 TYR A 64 12.242 -7.930 8.348 1.00 41.44 H new ATOM 0 HD2 TYR A 64 11.777 -10.577 11.653 1.00 10.45 H new ATOM 0 HE1 TYR A 64 9.725 -7.720 8.170 1.00 0.04 H new ATOM 0 HE2 TYR A 64 9.261 -10.358 11.465 1.00 31.13 H new ATOM 0 HH TYR A 64 7.617 -9.600 10.270 1.00 40.15 H new ATOM 940 N ASP A 65 12.763 -6.783 11.986 1.00 41.34 N ATOM 941 CA ASP A 65 11.811 -6.294 12.968 1.00 12.03 C ATOM 942 C ASP A 65 10.441 -6.130 12.307 1.00 40.52 C ATOM 943 O ASP A 65 10.241 -5.221 11.502 1.00 2.45 O ATOM 944 CB ASP A 65 12.237 -4.931 13.518 1.00 60.31 C ATOM 945 CG ASP A 65 13.039 -4.981 14.820 1.00 60.31 C ATOM 946 OD1 ASP A 65 14.263 -5.182 14.809 1.00 53.30 O ATOM 947 OD2 ASP A 65 12.347 -4.802 15.894 1.00 40.43 O ATOM 0 H ASP A 65 12.927 -6.153 11.201 1.00 41.34 H new ATOM 0 HA ASP A 65 11.769 -7.015 13.784 1.00 12.03 H new ATOM 0 HB2 ASP A 65 12.833 -4.421 12.761 1.00 60.31 H new ATOM 0 HB3 ASP A 65 11.345 -4.327 13.682 1.00 60.31 H new ATOM 953 N ASP A 66 9.533 -7.023 12.670 1.00 31.12 N ATOM 954 CA ASP A 66 8.188 -6.988 12.122 1.00 34.50 C ATOM 955 C ASP A 66 7.510 -5.679 12.529 1.00 55.45 C ATOM 956 O ASP A 66 6.543 -5.254 11.897 1.00 1.32 O ATOM 957 CB ASP A 66 7.343 -8.145 12.661 1.00 43.01 C ATOM 958 CG ASP A 66 6.041 -8.404 11.901 1.00 13.52 C ATOM 959 OD1 ASP A 66 5.827 -9.495 11.354 1.00 73.24 O ATOM 960 OD2 ASP A 66 5.214 -7.413 11.884 1.00 71.40 O ATOM 0 H ASP A 66 9.702 -7.776 13.337 1.00 31.12 H new ATOM 0 HA ASP A 66 8.264 -7.071 11.038 1.00 34.50 H new ATOM 0 HB2 ASP A 66 7.944 -9.054 12.642 1.00 43.01 H new ATOM 0 HB3 ASP A 66 7.103 -7.944 13.705 1.00 43.01 H new ATOM 966 N ALA A 67 8.043 -5.075 13.580 1.00 12.05 N ATOM 967 CA ALA A 67 7.501 -3.822 14.079 1.00 62.03 C ATOM 968 C ALA A 67 7.550 -2.772 12.967 1.00 62.33 C ATOM 969 O ALA A 67 6.721 -1.864 12.929 1.00 65.14 O ATOM 970 CB ALA A 67 8.278 -3.389 15.324 1.00 71.22 C ATOM 0 H ALA A 67 8.845 -5.430 14.101 1.00 12.05 H new ATOM 0 HA ALA A 67 6.458 -3.944 14.372 1.00 62.03 H new ATOM 0 HB1 ALA A 67 7.871 -2.449 15.698 1.00 71.22 H new ATOM 0 HB2 ALA A 67 8.188 -4.155 16.094 1.00 71.22 H new ATOM 0 HB3 ALA A 67 9.329 -3.253 15.068 1.00 71.22 H new ATOM 976 N THR A 68 8.530 -2.932 12.089 1.00 53.31 N ATOM 977 CA THR A 68 8.698 -2.009 10.979 1.00 14.01 C ATOM 978 C THR A 68 9.032 -2.773 9.696 1.00 13.13 C ATOM 979 O THR A 68 9.448 -2.176 8.705 1.00 64.12 O ATOM 980 CB THR A 68 9.765 -0.986 11.372 1.00 12.34 C ATOM 981 OG1 THR A 68 10.042 -0.290 10.160 1.00 12.42 O ATOM 982 CG2 THR A 68 11.098 -1.641 11.739 1.00 70.25 C ATOM 0 H THR A 68 9.215 -3.687 12.124 1.00 53.31 H new ATOM 0 HA THR A 68 7.774 -1.471 10.769 1.00 14.01 H new ATOM 0 HB THR A 68 9.407 -0.395 12.215 1.00 12.34 H new ATOM 0 HG1 THR A 68 9.440 -0.609 9.455 1.00 12.42 H new ATOM 0 HG21 THR A 68 11.820 -0.870 12.010 1.00 70.25 H new ATOM 0 HG22 THR A 68 10.952 -2.314 12.584 1.00 70.25 H new ATOM 0 HG23 THR A 68 11.473 -2.206 10.885 1.00 70.25 H new ATOM 990 N LYS A 69 8.836 -4.082 9.757 1.00 3.13 N ATOM 991 CA LYS A 69 9.112 -4.934 8.613 1.00 54.22 C ATOM 992 C LYS A 69 10.398 -4.464 7.930 1.00 14.51 C ATOM 993 O LYS A 69 10.393 -4.143 6.743 1.00 73.04 O ATOM 994 CB LYS A 69 7.901 -4.983 7.678 1.00 45.21 C ATOM 995 CG LYS A 69 6.602 -5.136 8.471 1.00 71.32 C ATOM 996 CD LYS A 69 6.468 -6.552 9.035 1.00 72.21 C ATOM 997 CE LYS A 69 5.086 -7.135 8.730 1.00 24.13 C ATOM 998 NZ LYS A 69 4.775 -7.005 7.289 1.00 1.33 N ATOM 0 H LYS A 69 8.489 -4.573 10.581 1.00 3.13 H new ATOM 0 HA LYS A 69 9.280 -5.962 8.935 1.00 54.22 H new ATOM 0 HB2 LYS A 69 7.861 -4.072 7.080 1.00 45.21 H new ATOM 0 HB3 LYS A 69 8.007 -5.816 6.983 1.00 45.21 H new ATOM 0 HG2 LYS A 69 6.582 -4.413 9.286 1.00 71.32 H new ATOM 0 HG3 LYS A 69 5.751 -4.915 7.827 1.00 71.32 H new ATOM 0 HD2 LYS A 69 7.239 -7.192 8.607 1.00 72.21 H new ATOM 0 HD3 LYS A 69 6.630 -6.535 10.113 1.00 72.21 H new ATOM 0 HE2 LYS A 69 5.055 -8.185 9.021 1.00 24.13 H new ATOM 0 HE3 LYS A 69 4.329 -6.618 9.320 1.00 24.13 H new ATOM 0 HZ1 LYS A 69 4.224 -7.830 6.977 1.00 1.33 H new ATOM 0 HZ2 LYS A 69 4.222 -6.139 7.130 1.00 1.33 H new ATOM 0 HZ3 LYS A 69 5.661 -6.954 6.746 1.00 1.33 H new ATOM 1011 N THR A 70 11.468 -4.437 8.710 1.00 22.11 N ATOM 1012 CA THR A 70 12.759 -4.011 8.196 1.00 73.34 C ATOM 1013 C THR A 70 13.835 -5.046 8.532 1.00 14.43 C ATOM 1014 O THR A 70 13.874 -5.566 9.646 1.00 13.12 O ATOM 1015 CB THR A 70 13.056 -2.620 8.758 1.00 2.10 C ATOM 1016 OG1 THR A 70 12.268 -1.745 7.955 1.00 31.35 O ATOM 1017 CG2 THR A 70 14.496 -2.175 8.490 1.00 35.51 C ATOM 0 H THR A 70 11.468 -4.703 9.695 1.00 22.11 H new ATOM 0 HA THR A 70 12.749 -3.942 7.108 1.00 73.34 H new ATOM 0 HB THR A 70 12.868 -2.615 9.832 1.00 2.10 H new ATOM 0 HG1 THR A 70 11.321 -1.862 8.176 1.00 31.35 H new ATOM 0 HG21 THR A 70 14.654 -1.181 8.909 1.00 35.51 H new ATOM 0 HG22 THR A 70 15.187 -2.879 8.954 1.00 35.51 H new ATOM 0 HG23 THR A 70 14.674 -2.147 7.415 1.00 35.51 H new ATOM 1025 N PHE A 71 14.681 -5.313 7.549 1.00 5.21 N ATOM 1026 CA PHE A 71 15.755 -6.276 7.727 1.00 1.31 C ATOM 1027 C PHE A 71 17.123 -5.599 7.614 1.00 72.14 C ATOM 1028 O PHE A 71 17.315 -4.715 6.780 1.00 14.14 O ATOM 1029 CB PHE A 71 15.617 -7.311 6.609 1.00 22.02 C ATOM 1030 CG PHE A 71 14.217 -7.916 6.491 1.00 31.41 C ATOM 1031 CD1 PHE A 71 13.173 -7.142 6.092 1.00 14.22 C ATOM 1032 CD2 PHE A 71 14.017 -9.229 6.785 1.00 74.00 C ATOM 1033 CE1 PHE A 71 11.873 -7.704 5.983 1.00 42.44 C ATOM 1034 CE2 PHE A 71 12.717 -9.791 6.675 1.00 1.14 C ATOM 1035 CZ PHE A 71 11.673 -9.016 6.277 1.00 73.24 C ATOM 0 H PHE A 71 14.645 -4.880 6.626 1.00 5.21 H new ATOM 0 HA PHE A 71 15.686 -6.732 8.715 1.00 1.31 H new ATOM 0 HB2 PHE A 71 15.881 -6.843 5.660 1.00 22.02 H new ATOM 0 HB3 PHE A 71 16.335 -8.113 6.780 1.00 22.02 H new ATOM 0 HD1 PHE A 71 13.332 -6.100 5.858 1.00 14.22 H new ATOM 0 HD2 PHE A 71 14.846 -9.844 7.102 1.00 74.00 H new ATOM 0 HE1 PHE A 71 11.044 -7.089 5.667 1.00 42.44 H new ATOM 0 HE2 PHE A 71 12.558 -10.834 6.907 1.00 1.14 H new ATOM 0 HZ PHE A 71 10.684 -9.443 6.194 1.00 73.24 H new ATOM 1045 N THR A 72 18.038 -6.041 8.464 1.00 41.34 N ATOM 1046 CA THR A 72 19.382 -5.489 8.469 1.00 3.13 C ATOM 1047 C THR A 72 20.420 -6.613 8.459 1.00 2.02 C ATOM 1048 O THR A 72 20.335 -7.548 9.254 1.00 64.23 O ATOM 1049 CB THR A 72 19.506 -4.558 9.677 1.00 23.22 C ATOM 1050 OG1 THR A 72 18.237 -3.914 9.751 1.00 45.24 O ATOM 1051 CG2 THR A 72 20.492 -3.413 9.436 1.00 62.34 C ATOM 0 H THR A 72 17.875 -6.775 9.154 1.00 41.34 H new ATOM 0 HA THR A 72 19.573 -4.905 7.569 1.00 3.13 H new ATOM 0 HB THR A 72 19.824 -5.133 10.547 1.00 23.22 H new ATOM 0 HG1 THR A 72 18.229 -3.293 10.509 1.00 45.24 H new ATOM 0 HG21 THR A 72 20.542 -2.783 10.324 1.00 62.34 H new ATOM 0 HG22 THR A 72 21.480 -3.822 9.225 1.00 62.34 H new ATOM 0 HG23 THR A 72 20.157 -2.817 8.587 1.00 62.34 H new ATOM 1059 N VAL A 73 21.376 -6.484 7.551 1.00 71.43 N ATOM 1060 CA VAL A 73 22.429 -7.478 7.427 1.00 41.33 C ATOM 1061 C VAL A 73 23.751 -6.876 7.908 1.00 31.24 C ATOM 1062 O VAL A 73 24.234 -5.897 7.343 1.00 52.53 O ATOM 1063 CB VAL A 73 22.496 -7.993 5.988 1.00 51.35 C ATOM 1064 CG1 VAL A 73 23.780 -7.528 5.298 1.00 2.00 C ATOM 1065 CG2 VAL A 73 22.371 -9.517 5.944 1.00 10.03 C ATOM 0 H VAL A 73 21.444 -5.707 6.894 1.00 71.43 H new ATOM 0 HA VAL A 73 22.215 -8.341 8.057 1.00 41.33 H new ATOM 0 HB VAL A 73 21.651 -7.572 5.443 1.00 51.35 H new ATOM 0 HG11 VAL A 73 23.802 -7.908 4.277 1.00 2.00 H new ATOM 0 HG12 VAL A 73 23.810 -6.439 5.281 1.00 2.00 H new ATOM 0 HG13 VAL A 73 24.644 -7.906 5.845 1.00 2.00 H new ATOM 0 HG21 VAL A 73 22.422 -9.857 4.909 1.00 10.03 H new ATOM 0 HG22 VAL A 73 23.185 -9.965 6.513 1.00 10.03 H new ATOM 0 HG23 VAL A 73 21.417 -9.816 6.378 1.00 10.03 H new ATOM 1075 N THR A 74 24.298 -7.488 8.948 1.00 5.13 N ATOM 1076 CA THR A 74 25.555 -7.025 9.512 1.00 11.15 C ATOM 1077 C THR A 74 26.677 -8.017 9.200 1.00 2.33 C ATOM 1078 O THR A 74 26.616 -9.177 9.605 1.00 52.32 O ATOM 1079 CB THR A 74 25.345 -6.797 11.011 1.00 51.23 C ATOM 1080 OG1 THR A 74 24.033 -6.248 11.098 1.00 52.13 O ATOM 1081 CG2 THR A 74 26.248 -5.694 11.567 1.00 32.14 C ATOM 0 H THR A 74 23.894 -8.300 9.415 1.00 5.13 H new ATOM 0 HA THR A 74 25.865 -6.081 9.065 1.00 11.15 H new ATOM 0 HB THR A 74 25.533 -7.726 11.549 1.00 51.23 H new ATOM 0 HG1 THR A 74 23.814 -6.071 12.037 1.00 52.13 H new ATOM 0 HG21 THR A 74 26.059 -5.572 12.634 1.00 32.14 H new ATOM 0 HG22 THR A 74 27.292 -5.966 11.412 1.00 32.14 H new ATOM 0 HG23 THR A 74 26.037 -4.757 11.052 1.00 32.14 H new ATOM 1089 N GLU A 75 27.676 -7.524 8.483 1.00 5.13 N ATOM 1090 CA GLU A 75 28.811 -8.352 8.112 1.00 20.42 C ATOM 1091 C GLU A 75 29.913 -8.248 9.169 1.00 73.03 C ATOM 1092 O GLU A 75 29.839 -7.411 10.067 1.00 43.43 O ATOM 1093 CB GLU A 75 29.340 -7.970 6.729 1.00 42.53 C ATOM 1094 CG GLU A 75 30.055 -9.150 6.069 1.00 62.40 C ATOM 1095 CD GLU A 75 31.299 -9.552 6.864 1.00 0.04 C ATOM 1096 OE1 GLU A 75 32.232 -8.747 7.005 1.00 72.13 O ATOM 1097 OE2 GLU A 75 31.275 -10.748 7.347 1.00 70.11 O ATOM 0 H GLU A 75 27.723 -6.561 8.149 1.00 5.13 H new ATOM 0 HA GLU A 75 28.478 -9.389 8.063 1.00 20.42 H new ATOM 0 HB2 GLU A 75 28.514 -7.642 6.098 1.00 42.53 H new ATOM 0 HB3 GLU A 75 30.027 -7.128 6.818 1.00 42.53 H new ATOM 0 HG2 GLU A 75 29.375 -9.999 5.998 1.00 62.40 H new ATOM 0 HG3 GLU A 75 30.340 -8.884 5.051 1.00 62.40 H new TER 1105 GLU A 75 HETATM 1106 LA LA A 76 -1.780 -4.174 -13.374 1.00 4.10 LA