USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 785 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.46) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc=-0.000438 (180deg=-0.0458) USER MOD Single : A 15 TYR OH : rot -115:sc= 0.181 USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= -0.0213 (180deg=-0.122) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.109 F(o=-0.87,f=-0.11) USER MOD Single : A 23 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.3) USER MOD Single : A 27 MET CE :methyl -179:sc= -1.2 (180deg=-1.22) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0411 USER MOD Single : A 33 ASN : amide:sc= 0.736 K(o=0.74,f=-0.013) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 0.189 (180deg=-0.0516) USER MOD Single : A 39 ASN : amide:sc= -1.03 K(o=-1,f=-1.7) USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= 0.441 (180deg=0.143) USER MOD Single : A 41 MET CE :methyl 167:sc= -2.73! (180deg=-3.25) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0.46 (180deg=0.455) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -0.0339 (180deg=-0.218) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= -0.0293 (180deg=-0.174) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -114:sc= 1.35 USER MOD Single : A 75 SER OG : rot 66:sc= 0.151 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0931) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 153:sc= 1.42 (180deg=0.455) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 142:sc= -0.145 (180deg=-1.68!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.867 -12.023 11.544 1.00 33.14 N ATOM 2 CA GLY A 1 -10.765 -11.199 10.314 1.00 70.01 C ATOM 3 C GLY A 1 -11.545 -11.813 9.161 1.00 51.14 C ATOM 4 O GLY A 1 -12.769 -11.961 9.251 1.00 23.02 O ATOM 0 H1 GLY A 1 -10.323 -11.574 12.309 1.00 33.14 H new ATOM 0 H2 GLY A 1 -11.864 -12.101 11.828 1.00 33.14 H new ATOM 0 H3 GLY A 1 -10.485 -12.972 11.359 1.00 33.14 H new ATOM 0 HA2 GLY A 1 -11.142 -10.196 10.515 1.00 70.01 H new ATOM 0 HA3 GLY A 1 -9.718 -11.095 10.031 1.00 70.01 H new ATOM 10 N GLY A 2 -10.840 -12.154 8.071 1.00 65.32 N ATOM 11 CA GLY A 2 -11.442 -12.814 6.916 1.00 71.25 C ATOM 12 C GLY A 2 -10.416 -13.111 5.845 1.00 73.41 C ATOM 13 O GLY A 2 -9.202 -12.986 6.089 1.00 73.40 O ATOM 0 H GLY A 2 -9.840 -11.978 7.972 1.00 65.32 H new ATOM 0 HA2 GLY A 2 -11.916 -13.743 7.234 1.00 71.25 H new ATOM 0 HA3 GLY A 2 -12.227 -12.180 6.503 1.00 71.25 H new ATOM 17 N SER A 3 -10.901 -13.521 4.658 1.00 14.42 N ATOM 18 CA SER A 3 -10.047 -13.802 3.488 1.00 72.13 C ATOM 19 C SER A 3 -9.260 -12.526 3.086 1.00 33.33 C ATOM 20 O SER A 3 -9.841 -11.448 3.117 1.00 14.20 O ATOM 21 CB SER A 3 -10.932 -14.304 2.323 1.00 53.23 C ATOM 22 OG SER A 3 -11.746 -15.405 2.717 1.00 22.54 O ATOM 0 H SER A 3 -11.895 -13.667 4.483 1.00 14.42 H new ATOM 0 HA SER A 3 -9.322 -14.577 3.735 1.00 72.13 H new ATOM 0 HB2 SER A 3 -11.566 -13.490 1.971 1.00 53.23 H new ATOM 0 HB3 SER A 3 -10.299 -14.600 1.486 1.00 53.23 H new ATOM 0 HG SER A 3 -12.293 -15.696 1.958 1.00 22.54 H new ATOM 28 N PRO A 4 -7.931 -12.617 2.749 1.00 60.41 N ATOM 29 CA PRO A 4 -7.072 -11.417 2.493 1.00 15.31 C ATOM 30 C PRO A 4 -7.625 -10.434 1.433 1.00 42.44 C ATOM 31 O PRO A 4 -7.580 -9.218 1.639 1.00 41.32 O ATOM 32 CB PRO A 4 -5.722 -12.024 2.056 1.00 52.32 C ATOM 33 CG PRO A 4 -5.706 -13.384 2.687 1.00 62.31 C ATOM 34 CD PRO A 4 -7.142 -13.872 2.634 1.00 13.04 C ATOM 0 HA PRO A 4 -7.009 -10.792 3.384 1.00 15.31 H new ATOM 0 HB2 PRO A 4 -5.647 -12.088 0.970 1.00 52.32 H new ATOM 0 HB3 PRO A 4 -4.884 -11.417 2.398 1.00 52.32 H new ATOM 0 HG2 PRO A 4 -5.042 -14.059 2.148 1.00 62.31 H new ATOM 0 HG3 PRO A 4 -5.345 -13.336 3.715 1.00 62.31 H new ATOM 0 HD2 PRO A 4 -7.355 -14.398 1.703 1.00 13.04 H new ATOM 0 HD3 PRO A 4 -7.363 -14.563 3.448 1.00 13.04 H new ATOM 42 N ASP A 5 -8.152 -10.968 0.312 1.00 45.30 N ATOM 43 CA ASP A 5 -8.740 -10.135 -0.777 1.00 23.41 C ATOM 44 C ASP A 5 -10.109 -9.550 -0.373 1.00 73.23 C ATOM 45 O ASP A 5 -10.541 -8.520 -0.907 1.00 51.22 O ATOM 46 CB ASP A 5 -8.850 -10.927 -2.105 1.00 44.23 C ATOM 47 CG ASP A 5 -7.475 -11.325 -2.669 1.00 22.51 C ATOM 48 OD1 ASP A 5 -6.716 -10.422 -3.108 1.00 1.34 O ATOM 49 OD2 ASP A 5 -7.140 -12.535 -2.681 1.00 32.24 O ATOM 0 H ASP A 5 -8.186 -11.971 0.130 1.00 45.30 H new ATOM 0 HA ASP A 5 -8.058 -9.301 -0.940 1.00 23.41 H new ATOM 0 HB2 ASP A 5 -9.445 -11.825 -1.940 1.00 44.23 H new ATOM 0 HB3 ASP A 5 -9.380 -10.323 -2.841 1.00 44.23 H new ATOM 54 N GLU A 6 -10.784 -10.220 0.572 1.00 71.35 N ATOM 55 CA GLU A 6 -12.009 -9.711 1.214 1.00 53.10 C ATOM 56 C GLU A 6 -11.654 -8.530 2.148 1.00 64.41 C ATOM 57 O GLU A 6 -12.371 -7.525 2.193 1.00 60.21 O ATOM 58 CB GLU A 6 -12.685 -10.860 2.003 1.00 1.03 C ATOM 59 CG GLU A 6 -13.964 -10.486 2.775 1.00 61.22 C ATOM 60 CD GLU A 6 -14.430 -11.602 3.725 1.00 72.12 C ATOM 61 OE1 GLU A 6 -14.678 -12.732 3.255 1.00 34.31 O ATOM 62 OE2 GLU A 6 -14.527 -11.370 4.950 1.00 33.02 O ATOM 0 H GLU A 6 -10.495 -11.136 0.916 1.00 71.35 H new ATOM 0 HA GLU A 6 -12.706 -9.350 0.458 1.00 53.10 H new ATOM 0 HB2 GLU A 6 -12.927 -11.661 1.304 1.00 1.03 H new ATOM 0 HB3 GLU A 6 -11.961 -11.263 2.711 1.00 1.03 H new ATOM 0 HG2 GLU A 6 -13.785 -9.577 3.349 1.00 61.22 H new ATOM 0 HG3 GLU A 6 -14.760 -10.263 2.065 1.00 61.22 H new ATOM 69 N ASN A 7 -10.509 -8.659 2.859 1.00 54.11 N ATOM 70 CA ASN A 7 -9.980 -7.606 3.754 1.00 64.15 C ATOM 71 C ASN A 7 -9.597 -6.364 2.928 1.00 62.45 C ATOM 72 O ASN A 7 -9.771 -5.234 3.384 1.00 43.23 O ATOM 73 CB ASN A 7 -8.742 -8.111 4.553 1.00 74.21 C ATOM 74 CG ASN A 7 -8.997 -9.389 5.366 1.00 50.35 C ATOM 75 OD1 ASN A 7 -10.110 -9.657 5.821 1.00 20.52 O ATOM 76 ND2 ASN A 7 -7.962 -10.188 5.561 1.00 65.31 N ATOM 0 H ASN A 7 -9.927 -9.496 2.827 1.00 54.11 H new ATOM 0 HA ASN A 7 -10.761 -7.345 4.469 1.00 64.15 H new ATOM 0 HB2 ASN A 7 -7.924 -8.294 3.856 1.00 74.21 H new ATOM 0 HB3 ASN A 7 -8.414 -7.322 5.230 1.00 74.21 H new ATOM 0 HD21 ASN A 7 -8.075 -11.048 6.098 1.00 65.31 H new ATOM 0 HD22 ASN A 7 -7.050 -9.945 5.174 1.00 65.31 H new ATOM 83 N ILE A 8 -9.085 -6.610 1.704 1.00 11.45 N ATOM 84 CA ILE A 8 -8.776 -5.567 0.711 1.00 65.22 C ATOM 85 C ILE A 8 -10.040 -4.804 0.311 1.00 71.21 C ATOM 86 O ILE A 8 -10.022 -3.580 0.278 1.00 43.35 O ATOM 87 CB ILE A 8 -8.097 -6.185 -0.565 1.00 73.11 C ATOM 88 CG1 ILE A 8 -6.692 -6.728 -0.200 1.00 3.11 C ATOM 89 CG2 ILE A 8 -8.027 -5.180 -1.749 1.00 43.15 C ATOM 90 CD1 ILE A 8 -6.033 -7.541 -1.290 1.00 2.00 C ATOM 0 H ILE A 8 -8.873 -7.552 1.376 1.00 11.45 H new ATOM 0 HA ILE A 8 -8.077 -4.870 1.173 1.00 65.22 H new ATOM 0 HB ILE A 8 -8.720 -7.011 -0.907 1.00 73.11 H new ATOM 0 HG12 ILE A 8 -6.045 -5.887 0.051 1.00 3.11 H new ATOM 0 HG13 ILE A 8 -6.776 -7.344 0.695 1.00 3.11 H new ATOM 0 HG21 ILE A 8 -7.549 -5.658 -2.604 1.00 43.15 H new ATOM 0 HG22 ILE A 8 -9.035 -4.870 -2.023 1.00 43.15 H new ATOM 0 HG23 ILE A 8 -7.447 -4.306 -1.451 1.00 43.15 H new ATOM 0 HD11 ILE A 8 -5.055 -7.881 -0.950 1.00 2.00 H new ATOM 0 HD12 ILE A 8 -6.655 -8.404 -1.527 1.00 2.00 H new ATOM 0 HD13 ILE A 8 -5.913 -6.925 -2.181 1.00 2.00 H new ATOM 102 N ALA A 9 -11.131 -5.545 0.028 1.00 50.41 N ATOM 103 CA ALA A 9 -12.436 -4.954 -0.338 1.00 41.54 C ATOM 104 C ALA A 9 -12.947 -4.001 0.766 1.00 11.10 C ATOM 105 O ALA A 9 -13.618 -3.002 0.487 1.00 51.31 O ATOM 106 CB ALA A 9 -13.456 -6.065 -0.641 1.00 71.14 C ATOM 0 H ALA A 9 -11.133 -6.565 0.046 1.00 50.41 H new ATOM 0 HA ALA A 9 -12.305 -4.358 -1.241 1.00 41.54 H new ATOM 0 HB1 ALA A 9 -14.413 -5.617 -0.909 1.00 71.14 H new ATOM 0 HB2 ALA A 9 -13.095 -6.674 -1.470 1.00 71.14 H new ATOM 0 HB3 ALA A 9 -13.584 -6.692 0.241 1.00 71.14 H new ATOM 112 N LYS A 10 -12.586 -4.324 2.021 1.00 61.13 N ATOM 113 CA LYS A 10 -12.883 -3.501 3.198 1.00 72.43 C ATOM 114 C LYS A 10 -11.932 -2.274 3.272 1.00 45.30 C ATOM 115 O LYS A 10 -12.361 -1.170 3.632 1.00 70.33 O ATOM 116 CB LYS A 10 -12.764 -4.370 4.471 1.00 54.41 C ATOM 117 CG LYS A 10 -13.167 -3.665 5.784 1.00 64.34 C ATOM 118 CD LYS A 10 -13.073 -4.612 7.009 1.00 23.11 C ATOM 119 CE LYS A 10 -13.514 -3.941 8.315 1.00 43.02 C ATOM 120 NZ LYS A 10 -13.368 -4.855 9.483 1.00 24.11 N ATOM 0 H LYS A 10 -12.073 -5.177 2.245 1.00 61.13 H new ATOM 0 HA LYS A 10 -13.901 -3.120 3.120 1.00 72.43 H new ATOM 0 HB2 LYS A 10 -13.386 -5.256 4.347 1.00 54.41 H new ATOM 0 HB3 LYS A 10 -11.734 -4.714 4.563 1.00 54.41 H new ATOM 0 HG2 LYS A 10 -12.521 -2.801 5.944 1.00 64.34 H new ATOM 0 HG3 LYS A 10 -14.186 -3.289 5.695 1.00 64.34 H new ATOM 0 HD2 LYS A 10 -13.692 -5.491 6.831 1.00 23.11 H new ATOM 0 HD3 LYS A 10 -12.046 -4.961 7.114 1.00 23.11 H new ATOM 0 HE2 LYS A 10 -12.920 -3.042 8.480 1.00 43.02 H new ATOM 0 HE3 LYS A 10 -14.554 -3.625 8.228 1.00 43.02 H new ATOM 0 HZ1 LYS A 10 -13.676 -4.366 10.347 1.00 24.11 H new ATOM 0 HZ2 LYS A 10 -13.954 -5.702 9.337 1.00 24.11 H new ATOM 0 HZ3 LYS A 10 -12.372 -5.137 9.581 1.00 24.11 H new ATOM 134 N PHE A 11 -10.637 -2.484 2.922 1.00 32.24 N ATOM 135 CA PHE A 11 -9.611 -1.405 2.894 1.00 11.20 C ATOM 136 C PHE A 11 -9.932 -0.365 1.809 1.00 3.44 C ATOM 137 O PHE A 11 -9.629 0.822 1.970 1.00 35.35 O ATOM 138 CB PHE A 11 -8.174 -1.976 2.651 1.00 12.41 C ATOM 139 CG PHE A 11 -7.611 -2.841 3.785 1.00 15.24 C ATOM 140 CD1 PHE A 11 -7.891 -2.542 5.123 1.00 40.23 C ATOM 141 CD2 PHE A 11 -6.787 -3.945 3.519 1.00 2.32 C ATOM 142 CE1 PHE A 11 -7.384 -3.317 6.145 1.00 0.41 C ATOM 143 CE2 PHE A 11 -6.281 -4.719 4.549 1.00 41.53 C ATOM 144 CZ PHE A 11 -6.576 -4.403 5.859 1.00 41.43 C ATOM 0 H PHE A 11 -10.275 -3.399 2.653 1.00 32.24 H new ATOM 0 HA PHE A 11 -9.634 -0.926 3.873 1.00 11.20 H new ATOM 0 HB2 PHE A 11 -8.187 -2.569 1.736 1.00 12.41 H new ATOM 0 HB3 PHE A 11 -7.494 -1.142 2.481 1.00 12.41 H new ATOM 0 HD1 PHE A 11 -8.513 -1.692 5.359 1.00 40.23 H new ATOM 0 HD2 PHE A 11 -6.544 -4.194 2.497 1.00 2.32 H new ATOM 0 HE1 PHE A 11 -7.618 -3.075 7.171 1.00 0.41 H new ATOM 0 HE2 PHE A 11 -5.655 -5.571 4.327 1.00 41.53 H new ATOM 0 HZ PHE A 11 -6.176 -5.004 6.662 1.00 41.43 H new ATOM 154 N GLU A 12 -10.548 -0.840 0.706 1.00 23.34 N ATOM 155 CA GLU A 12 -10.951 0.004 -0.432 1.00 1.31 C ATOM 156 C GLU A 12 -12.078 0.965 -0.034 1.00 35.54 C ATOM 157 O GLU A 12 -12.191 2.034 -0.613 1.00 31.44 O ATOM 158 CB GLU A 12 -11.388 -0.859 -1.645 1.00 32.30 C ATOM 159 CG GLU A 12 -10.267 -1.727 -2.260 1.00 43.24 C ATOM 160 CD GLU A 12 -10.752 -2.624 -3.415 1.00 51.45 C ATOM 161 OE1 GLU A 12 -11.780 -3.309 -3.251 1.00 61.33 O ATOM 162 OE2 GLU A 12 -10.122 -2.635 -4.496 1.00 12.42 O ATOM 0 H GLU A 12 -10.780 -1.826 0.582 1.00 23.34 H new ATOM 0 HA GLU A 12 -10.081 0.592 -0.725 1.00 1.31 H new ATOM 0 HB2 GLU A 12 -12.204 -1.511 -1.334 1.00 32.30 H new ATOM 0 HB3 GLU A 12 -11.784 -0.200 -2.418 1.00 32.30 H new ATOM 0 HG2 GLU A 12 -9.472 -1.076 -2.624 1.00 43.24 H new ATOM 0 HG3 GLU A 12 -9.834 -2.354 -1.480 1.00 43.24 H new ATOM 169 N LYS A 13 -12.903 0.569 0.959 1.00 21.14 N ATOM 170 CA LYS A 13 -13.992 1.418 1.488 1.00 32.20 C ATOM 171 C LYS A 13 -13.400 2.665 2.173 1.00 60.44 C ATOM 172 O LYS A 13 -13.819 3.801 1.903 1.00 14.43 O ATOM 173 CB LYS A 13 -14.865 0.611 2.487 1.00 73.42 C ATOM 174 CG LYS A 13 -15.536 -0.641 1.867 1.00 1.42 C ATOM 175 CD LYS A 13 -16.354 -1.460 2.888 1.00 72.20 C ATOM 176 CE LYS A 13 -17.517 -0.664 3.509 1.00 10.22 C ATOM 177 NZ LYS A 13 -18.485 -0.184 2.482 1.00 1.44 N ATOM 0 H LYS A 13 -12.834 -0.341 1.414 1.00 21.14 H new ATOM 0 HA LYS A 13 -14.625 1.740 0.661 1.00 32.20 H new ATOM 0 HB2 LYS A 13 -14.244 0.300 3.327 1.00 73.42 H new ATOM 0 HB3 LYS A 13 -15.639 1.265 2.888 1.00 73.42 H new ATOM 0 HG2 LYS A 13 -16.191 -0.329 1.053 1.00 1.42 H new ATOM 0 HG3 LYS A 13 -14.767 -1.279 1.431 1.00 1.42 H new ATOM 0 HD2 LYS A 13 -16.751 -2.349 2.397 1.00 72.20 H new ATOM 0 HD3 LYS A 13 -15.692 -1.804 3.683 1.00 72.20 H new ATOM 0 HE2 LYS A 13 -18.039 -1.291 4.232 1.00 10.22 H new ATOM 0 HE3 LYS A 13 -17.118 0.190 4.057 1.00 10.22 H new ATOM 0 HZ1 LYS A 13 -19.293 0.272 2.952 1.00 1.44 H new ATOM 0 HZ2 LYS A 13 -18.016 0.502 1.857 1.00 1.44 H new ATOM 0 HZ3 LYS A 13 -18.823 -0.991 1.919 1.00 1.44 H new ATOM 191 N ALA A 14 -12.393 2.424 3.039 1.00 41.53 N ATOM 192 CA ALA A 14 -11.650 3.484 3.738 1.00 64.03 C ATOM 193 C ALA A 14 -10.811 4.310 2.745 1.00 34.03 C ATOM 194 O ALA A 14 -10.643 5.519 2.923 1.00 21.41 O ATOM 195 CB ALA A 14 -10.756 2.869 4.827 1.00 34.23 C ATOM 0 H ALA A 14 -12.074 1.483 3.271 1.00 41.53 H new ATOM 0 HA ALA A 14 -12.365 4.157 4.212 1.00 64.03 H new ATOM 0 HB1 ALA A 14 -10.210 3.661 5.339 1.00 34.23 H new ATOM 0 HB2 ALA A 14 -11.375 2.332 5.546 1.00 34.23 H new ATOM 0 HB3 ALA A 14 -10.048 2.178 4.369 1.00 34.23 H new ATOM 201 N TYR A 15 -10.310 3.627 1.689 1.00 51.22 N ATOM 202 CA TYR A 15 -9.472 4.228 0.636 1.00 63.23 C ATOM 203 C TYR A 15 -10.270 5.189 -0.260 1.00 13.03 C ATOM 204 O TYR A 15 -9.747 6.232 -0.645 1.00 1.14 O ATOM 205 CB TYR A 15 -8.809 3.111 -0.218 1.00 21.44 C ATOM 206 CG TYR A 15 -8.096 3.604 -1.488 1.00 41.24 C ATOM 207 CD1 TYR A 15 -6.960 4.423 -1.417 1.00 43.40 C ATOM 208 CD2 TYR A 15 -8.581 3.279 -2.763 1.00 32.42 C ATOM 209 CE1 TYR A 15 -6.345 4.884 -2.559 1.00 61.52 C ATOM 210 CE2 TYR A 15 -7.964 3.747 -3.899 1.00 23.31 C ATOM 211 CZ TYR A 15 -6.849 4.545 -3.795 1.00 74.04 C ATOM 212 OH TYR A 15 -6.242 5.015 -4.938 1.00 53.44 O ATOM 0 H TYR A 15 -10.481 2.632 1.547 1.00 51.22 H new ATOM 0 HA TYR A 15 -8.696 4.816 1.126 1.00 63.23 H new ATOM 0 HB2 TYR A 15 -8.088 2.579 0.403 1.00 21.44 H new ATOM 0 HB3 TYR A 15 -9.575 2.391 -0.505 1.00 21.44 H new ATOM 0 HD1 TYR A 15 -6.561 4.696 -0.451 1.00 43.40 H new ATOM 0 HD2 TYR A 15 -9.454 2.650 -2.854 1.00 32.42 H new ATOM 0 HE1 TYR A 15 -5.468 5.511 -2.486 1.00 61.52 H new ATOM 0 HE2 TYR A 15 -8.355 3.488 -4.872 1.00 23.31 H new ATOM 0 HH TYR A 15 -6.856 5.613 -5.412 1.00 53.44 H new ATOM 222 N LYS A 16 -11.513 4.821 -0.617 1.00 32.24 N ATOM 223 CA LYS A 16 -12.367 5.672 -1.470 1.00 3.21 C ATOM 224 C LYS A 16 -12.864 6.888 -0.688 1.00 31.35 C ATOM 225 O LYS A 16 -13.078 7.954 -1.269 1.00 14.03 O ATOM 226 CB LYS A 16 -13.565 4.873 -2.044 1.00 40.12 C ATOM 227 CG LYS A 16 -13.174 3.731 -3.013 1.00 52.12 C ATOM 228 CD LYS A 16 -12.383 4.214 -4.252 1.00 64.55 C ATOM 229 CE LYS A 16 -13.205 5.149 -5.156 1.00 0.23 C ATOM 230 NZ LYS A 16 -14.486 4.535 -5.617 1.00 60.21 N ATOM 0 H LYS A 16 -11.949 3.944 -0.331 1.00 32.24 H new ATOM 0 HA LYS A 16 -11.761 6.017 -2.308 1.00 3.21 H new ATOM 0 HB2 LYS A 16 -14.133 4.450 -1.215 1.00 40.12 H new ATOM 0 HB3 LYS A 16 -14.228 5.563 -2.566 1.00 40.12 H new ATOM 0 HG2 LYS A 16 -12.575 2.997 -2.474 1.00 52.12 H new ATOM 0 HG3 LYS A 16 -14.079 3.222 -3.346 1.00 52.12 H new ATOM 0 HD2 LYS A 16 -11.483 4.733 -3.923 1.00 64.55 H new ATOM 0 HD3 LYS A 16 -12.059 3.349 -4.831 1.00 64.55 H new ATOM 0 HE2 LYS A 16 -13.424 6.070 -4.615 1.00 0.23 H new ATOM 0 HE3 LYS A 16 -12.607 5.424 -6.025 1.00 0.23 H new ATOM 0 HZ1 LYS A 16 -14.922 5.143 -6.339 1.00 60.21 H new ATOM 0 HZ2 LYS A 16 -14.295 3.597 -6.024 1.00 60.21 H new ATOM 0 HZ3 LYS A 16 -15.134 4.436 -4.810 1.00 60.21 H new ATOM 244 N LYS A 17 -13.031 6.712 0.635 1.00 21.42 N ATOM 245 CA LYS A 17 -13.406 7.802 1.540 1.00 71.41 C ATOM 246 C LYS A 17 -12.185 8.735 1.743 1.00 21.02 C ATOM 247 O LYS A 17 -12.324 9.952 1.907 1.00 22.12 O ATOM 248 CB LYS A 17 -13.944 7.210 2.880 1.00 74.11 C ATOM 249 CG LYS A 17 -14.884 8.143 3.704 1.00 4.43 C ATOM 250 CD LYS A 17 -14.163 9.264 4.494 1.00 73.41 C ATOM 251 CE LYS A 17 -13.151 8.717 5.514 1.00 14.43 C ATOM 252 NZ LYS A 17 -12.604 9.798 6.372 1.00 61.21 N ATOM 0 H LYS A 17 -12.909 5.813 1.101 1.00 21.42 H new ATOM 0 HA LYS A 17 -14.210 8.401 1.112 1.00 71.41 H new ATOM 0 HB2 LYS A 17 -14.481 6.288 2.658 1.00 74.11 H new ATOM 0 HB3 LYS A 17 -13.092 6.940 3.504 1.00 74.11 H new ATOM 0 HG2 LYS A 17 -15.602 8.602 3.025 1.00 4.43 H new ATOM 0 HG3 LYS A 17 -15.453 7.533 4.405 1.00 4.43 H new ATOM 0 HD2 LYS A 17 -13.647 9.922 3.794 1.00 73.41 H new ATOM 0 HD3 LYS A 17 -14.905 9.871 5.014 1.00 73.41 H new ATOM 0 HE2 LYS A 17 -13.633 7.964 6.138 1.00 14.43 H new ATOM 0 HE3 LYS A 17 -12.335 8.221 4.988 1.00 14.43 H new ATOM 0 HZ1 LYS A 17 -11.925 9.394 7.048 1.00 61.21 H new ATOM 0 HZ2 LYS A 17 -12.123 10.503 5.778 1.00 61.21 H new ATOM 0 HZ3 LYS A 17 -13.380 10.255 6.892 1.00 61.21 H new ATOM 266 N ALA A 18 -10.991 8.138 1.702 1.00 1.33 N ATOM 267 CA ALA A 18 -9.718 8.859 1.735 1.00 2.43 C ATOM 268 C ALA A 18 -9.510 9.667 0.431 1.00 54.25 C ATOM 269 O ALA A 18 -9.083 10.819 0.462 1.00 65.13 O ATOM 270 CB ALA A 18 -8.583 7.850 1.911 1.00 3.32 C ATOM 0 H ALA A 18 -10.881 7.126 1.644 1.00 1.33 H new ATOM 0 HA ALA A 18 -9.726 9.561 2.569 1.00 2.43 H new ATOM 0 HB1 ALA A 18 -7.629 8.376 1.937 1.00 3.32 H new ATOM 0 HB2 ALA A 18 -8.722 7.305 2.845 1.00 3.32 H new ATOM 0 HB3 ALA A 18 -8.588 7.148 1.077 1.00 3.32 H new ATOM 276 N GLU A 19 -9.875 9.026 -0.703 1.00 71.42 N ATOM 277 CA GLU A 19 -9.603 9.509 -2.073 1.00 3.24 C ATOM 278 C GLU A 19 -10.548 10.655 -2.468 1.00 63.50 C ATOM 279 O GLU A 19 -10.132 11.600 -3.149 1.00 35.15 O ATOM 280 CB GLU A 19 -9.735 8.326 -3.075 1.00 53.03 C ATOM 281 CG GLU A 19 -9.388 8.673 -4.540 1.00 53.41 C ATOM 282 CD GLU A 19 -9.633 7.498 -5.495 1.00 14.14 C ATOM 283 OE1 GLU A 19 -10.769 7.371 -6.007 1.00 30.40 O ATOM 284 OE2 GLU A 19 -8.710 6.693 -5.736 1.00 51.04 O ATOM 0 H GLU A 19 -10.378 8.139 -0.689 1.00 71.42 H new ATOM 0 HA GLU A 19 -8.587 9.902 -2.103 1.00 3.24 H new ATOM 0 HB2 GLU A 19 -9.085 7.515 -2.745 1.00 53.03 H new ATOM 0 HB3 GLU A 19 -10.757 7.950 -3.038 1.00 53.03 H new ATOM 0 HG2 GLU A 19 -9.985 9.527 -4.859 1.00 53.41 H new ATOM 0 HG3 GLU A 19 -8.342 8.975 -4.601 1.00 53.41 H new ATOM 291 N GLU A 20 -11.817 10.563 -2.031 1.00 34.03 N ATOM 292 CA GLU A 20 -12.831 11.601 -2.311 1.00 12.10 C ATOM 293 C GLU A 20 -12.455 12.933 -1.615 1.00 1.04 C ATOM 294 O GLU A 20 -12.718 14.019 -2.138 1.00 42.00 O ATOM 295 CB GLU A 20 -14.245 11.131 -1.876 1.00 11.40 C ATOM 296 CG GLU A 20 -14.397 10.879 -0.370 1.00 5.33 C ATOM 297 CD GLU A 20 -15.810 10.450 0.043 1.00 61.15 C ATOM 298 OE1 GLU A 20 -16.119 9.239 -0.018 1.00 53.52 O ATOM 299 OE2 GLU A 20 -16.615 11.323 0.432 1.00 13.12 O ATOM 0 H GLU A 20 -12.167 9.779 -1.481 1.00 34.03 H new ATOM 0 HA GLU A 20 -12.852 11.771 -3.387 1.00 12.10 H new ATOM 0 HB2 GLU A 20 -14.973 11.882 -2.181 1.00 11.40 H new ATOM 0 HB3 GLU A 20 -14.490 10.214 -2.411 1.00 11.40 H new ATOM 0 HG2 GLU A 20 -13.689 10.108 -0.066 1.00 5.33 H new ATOM 0 HG3 GLU A 20 -14.130 11.787 0.170 1.00 5.33 H new ATOM 306 N LEU A 21 -11.824 12.819 -0.431 1.00 63.53 N ATOM 307 CA LEU A 21 -11.313 13.970 0.340 1.00 72.41 C ATOM 308 C LEU A 21 -9.861 14.302 -0.067 1.00 3.12 C ATOM 309 O LEU A 21 -9.319 15.341 0.333 1.00 2.13 O ATOM 310 CB LEU A 21 -11.414 13.648 1.857 1.00 25.21 C ATOM 311 CG LEU A 21 -12.834 13.233 2.362 1.00 31.43 C ATOM 312 CD1 LEU A 21 -12.839 12.940 3.876 1.00 3.24 C ATOM 313 CD2 LEU A 21 -13.894 14.289 1.987 1.00 54.01 C ATOM 0 H LEU A 21 -11.653 11.921 0.021 1.00 63.53 H new ATOM 0 HA LEU A 21 -11.917 14.851 0.123 1.00 72.41 H new ATOM 0 HB2 LEU A 21 -10.716 12.843 2.087 1.00 25.21 H new ATOM 0 HB3 LEU A 21 -11.089 14.523 2.419 1.00 25.21 H new ATOM 0 HG LEU A 21 -13.100 12.306 1.855 1.00 31.43 H new ATOM 0 HD11 LEU A 21 -13.844 12.655 4.188 1.00 3.24 H new ATOM 0 HD12 LEU A 21 -12.147 12.125 4.091 1.00 3.24 H new ATOM 0 HD13 LEU A 21 -12.529 13.832 4.420 1.00 3.24 H new ATOM 0 HD21 LEU A 21 -14.870 13.970 2.352 1.00 54.01 H new ATOM 0 HD22 LEU A 21 -13.631 15.245 2.440 1.00 54.01 H new ATOM 0 HD23 LEU A 21 -13.931 14.399 0.903 1.00 54.01 H new ATOM 325 N ASN A 22 -9.254 13.374 -0.843 1.00 53.34 N ATOM 326 CA ASN A 22 -7.909 13.493 -1.452 1.00 12.13 C ATOM 327 C ASN A 22 -6.787 13.513 -0.381 1.00 22.51 C ATOM 328 O ASN A 22 -5.657 13.933 -0.646 1.00 53.34 O ATOM 329 CB ASN A 22 -7.848 14.732 -2.411 1.00 61.40 C ATOM 330 CG ASN A 22 -6.632 14.753 -3.351 1.00 42.50 C ATOM 331 OD1 ASN A 22 -6.202 13.589 -3.833 1.00 3.22 O flip ATOM 332 ND2 ASN A 22 -6.099 15.816 -3.676 1.00 51.15 N flip ATOM 0 H ASN A 22 -9.705 12.488 -1.071 1.00 53.34 H new ATOM 0 HA ASN A 22 -7.729 12.603 -2.055 1.00 12.13 H new ATOM 0 HB2 ASN A 22 -8.757 14.754 -3.013 1.00 61.40 H new ATOM 0 HB3 ASN A 22 -7.842 15.641 -1.809 1.00 61.40 H new ATOM 0 HD21 ASN A 22 -6.444 16.697 -3.295 1.00 51.15 H new ATOM 0 HD22 ASN A 22 -5.313 15.815 -4.326 1.00 51.15 H new ATOM 339 N GLN A 23 -7.098 12.979 0.810 1.00 51.52 N ATOM 340 CA GLN A 23 -6.156 12.932 1.937 1.00 53.23 C ATOM 341 C GLN A 23 -5.188 11.761 1.736 1.00 3.24 C ATOM 342 O GLN A 23 -5.528 10.597 1.997 1.00 13.41 O ATOM 343 CB GLN A 23 -6.916 12.842 3.285 1.00 62.32 C ATOM 344 CG GLN A 23 -7.851 14.045 3.550 1.00 20.54 C ATOM 345 CD GLN A 23 -8.609 13.977 4.879 1.00 24.12 C ATOM 346 OE1 GLN A 23 -8.142 13.394 5.859 1.00 62.22 O ATOM 347 NE2 GLN A 23 -9.788 14.584 4.925 1.00 25.24 N ATOM 0 H GLN A 23 -8.008 12.568 1.018 1.00 51.52 H new ATOM 0 HA GLN A 23 -5.574 13.853 1.970 1.00 53.23 H new ATOM 0 HB2 GLN A 23 -7.505 11.925 3.300 1.00 62.32 H new ATOM 0 HB3 GLN A 23 -6.192 12.770 4.097 1.00 62.32 H new ATOM 0 HG2 GLN A 23 -7.260 14.960 3.529 1.00 20.54 H new ATOM 0 HG3 GLN A 23 -8.574 14.114 2.737 1.00 20.54 H new ATOM 0 HE21 GLN A 23 -10.150 15.059 4.098 1.00 25.24 H new ATOM 0 HE22 GLN A 23 -10.333 14.576 5.787 1.00 25.24 H new ATOM 356 N GLY A 24 -3.987 12.102 1.233 1.00 34.03 N ATOM 357 CA GLY A 24 -2.986 11.131 0.821 1.00 44.43 C ATOM 358 C GLY A 24 -2.399 10.315 1.966 1.00 62.13 C ATOM 359 O GLY A 24 -1.954 9.184 1.755 1.00 65.41 O ATOM 0 H GLY A 24 -3.693 13.070 1.105 1.00 34.03 H new ATOM 0 HA2 GLY A 24 -3.433 10.450 0.096 1.00 44.43 H new ATOM 0 HA3 GLY A 24 -2.177 11.654 0.310 1.00 44.43 H new ATOM 363 N GLU A 25 -2.395 10.897 3.186 1.00 73.51 N ATOM 364 CA GLU A 25 -1.906 10.207 4.398 1.00 31.31 C ATOM 365 C GLU A 25 -2.695 8.895 4.621 1.00 23.53 C ATOM 366 O GLU A 25 -2.125 7.875 4.979 1.00 2.31 O ATOM 367 CB GLU A 25 -2.008 11.139 5.639 1.00 50.55 C ATOM 368 CG GLU A 25 -3.438 11.612 5.983 1.00 30.02 C ATOM 369 CD GLU A 25 -3.472 12.596 7.161 1.00 14.14 C ATOM 370 OE1 GLU A 25 -3.504 12.142 8.324 1.00 11.32 O ATOM 371 OE2 GLU A 25 -3.445 13.829 6.930 1.00 33.43 O ATOM 0 H GLU A 25 -2.727 11.846 3.356 1.00 73.51 H new ATOM 0 HA GLU A 25 -0.855 9.954 4.257 1.00 31.31 H new ATOM 0 HB2 GLU A 25 -1.597 10.616 6.502 1.00 50.55 H new ATOM 0 HB3 GLU A 25 -1.382 12.015 5.469 1.00 50.55 H new ATOM 0 HG2 GLU A 25 -3.880 12.086 5.107 1.00 30.02 H new ATOM 0 HG3 GLU A 25 -4.055 10.746 6.221 1.00 30.02 H new ATOM 378 N LEU A 26 -4.004 8.954 4.332 1.00 73.22 N ATOM 379 CA LEU A 26 -4.932 7.829 4.460 1.00 34.15 C ATOM 380 C LEU A 26 -4.735 6.820 3.308 1.00 21.31 C ATOM 381 O LEU A 26 -4.632 5.612 3.544 1.00 63.02 O ATOM 382 CB LEU A 26 -6.383 8.366 4.440 1.00 22.30 C ATOM 383 CG LEU A 26 -6.827 9.273 5.627 1.00 34.31 C ATOM 384 CD1 LEU A 26 -8.207 9.911 5.348 1.00 3.34 C ATOM 385 CD2 LEU A 26 -6.845 8.469 6.934 1.00 61.01 C ATOM 0 H LEU A 26 -4.453 9.806 3.996 1.00 73.22 H new ATOM 0 HA LEU A 26 -4.736 7.315 5.401 1.00 34.15 H new ATOM 0 HB2 LEU A 26 -6.522 8.928 3.516 1.00 22.30 H new ATOM 0 HB3 LEU A 26 -7.058 7.511 4.398 1.00 22.30 H new ATOM 0 HG LEU A 26 -6.104 10.082 5.733 1.00 34.31 H new ATOM 0 HD11 LEU A 26 -8.495 10.539 6.191 1.00 3.34 H new ATOM 0 HD12 LEU A 26 -8.151 10.519 4.445 1.00 3.34 H new ATOM 0 HD13 LEU A 26 -8.950 9.125 5.211 1.00 3.34 H new ATOM 0 HD21 LEU A 26 -7.157 9.115 7.754 1.00 61.01 H new ATOM 0 HD22 LEU A 26 -7.544 7.638 6.840 1.00 61.01 H new ATOM 0 HD23 LEU A 26 -5.846 8.082 7.137 1.00 61.01 H new ATOM 397 N MET A 27 -4.679 7.352 2.061 1.00 31.43 N ATOM 398 CA MET A 27 -4.634 6.531 0.829 1.00 25.10 C ATOM 399 C MET A 27 -3.355 5.691 0.744 1.00 31.42 C ATOM 400 O MET A 27 -3.394 4.547 0.284 1.00 41.43 O ATOM 401 CB MET A 27 -4.752 7.417 -0.441 1.00 24.04 C ATOM 402 CG MET A 27 -6.051 8.225 -0.556 1.00 51.40 C ATOM 403 SD MET A 27 -6.263 8.997 -2.173 1.00 72.40 S ATOM 404 CE MET A 27 -4.712 9.861 -2.370 1.00 14.53 C ATOM 0 H MET A 27 -4.664 8.356 1.884 1.00 31.43 H new ATOM 0 HA MET A 27 -5.488 5.855 0.878 1.00 25.10 H new ATOM 0 HB2 MET A 27 -3.910 8.109 -0.461 1.00 24.04 H new ATOM 0 HB3 MET A 27 -4.661 6.778 -1.320 1.00 24.04 H new ATOM 0 HG2 MET A 27 -6.899 7.569 -0.359 1.00 51.40 H new ATOM 0 HG3 MET A 27 -6.061 8.997 0.213 1.00 51.40 H new ATOM 0 HE1 MET A 27 -4.712 10.397 -3.319 1.00 14.53 H new ATOM 0 HE2 MET A 27 -4.584 10.571 -1.552 1.00 14.53 H new ATOM 0 HE3 MET A 27 -3.892 9.143 -2.359 1.00 14.53 H new ATOM 414 N GLY A 28 -2.231 6.285 1.185 1.00 53.01 N ATOM 415 CA GLY A 28 -0.941 5.604 1.202 1.00 12.02 C ATOM 416 C GLY A 28 -0.951 4.393 2.121 1.00 74.25 C ATOM 417 O GLY A 28 -0.463 3.328 1.746 1.00 50.41 O ATOM 0 H GLY A 28 -2.200 7.243 1.535 1.00 53.01 H new ATOM 0 HA2 GLY A 28 -0.683 5.290 0.191 1.00 12.02 H new ATOM 0 HA3 GLY A 28 -0.167 6.300 1.527 1.00 12.02 H new ATOM 421 N ARG A 29 -1.539 4.570 3.323 1.00 4.31 N ATOM 422 CA ARG A 29 -1.700 3.490 4.319 1.00 74.24 C ATOM 423 C ARG A 29 -2.599 2.373 3.759 1.00 40.15 C ATOM 424 O ARG A 29 -2.300 1.194 3.922 1.00 62.00 O ATOM 425 CB ARG A 29 -2.305 4.059 5.633 1.00 33.14 C ATOM 426 CG ARG A 29 -1.435 5.144 6.308 1.00 12.24 C ATOM 427 CD ARG A 29 -2.153 5.849 7.476 1.00 52.32 C ATOM 428 NE ARG A 29 -2.466 4.941 8.595 1.00 61.54 N ATOM 429 CZ ARG A 29 -3.443 5.140 9.500 1.00 2.12 C ATOM 430 NH1 ARG A 29 -4.229 6.221 9.435 1.00 24.13 N ATOM 431 NH2 ARG A 29 -3.613 4.259 10.477 1.00 74.13 N ATOM 0 H ARG A 29 -1.916 5.467 3.630 1.00 4.31 H new ATOM 0 HA ARG A 29 -0.719 3.069 4.537 1.00 74.24 H new ATOM 0 HB2 ARG A 29 -3.288 4.478 5.417 1.00 33.14 H new ATOM 0 HB3 ARG A 29 -2.456 3.240 6.336 1.00 33.14 H new ATOM 0 HG2 ARG A 29 -0.516 4.688 6.676 1.00 12.24 H new ATOM 0 HG3 ARG A 29 -1.147 5.887 5.564 1.00 12.24 H new ATOM 0 HD2 ARG A 29 -1.527 6.663 7.841 1.00 52.32 H new ATOM 0 HD3 ARG A 29 -3.077 6.297 7.110 1.00 52.32 H new ATOM 0 HE ARG A 29 -1.899 4.098 8.691 1.00 61.54 H new ATOM 0 HH11 ARG A 29 -4.092 6.907 8.693 1.00 24.13 H new ATOM 0 HH12 ARG A 29 -4.965 6.359 10.127 1.00 24.13 H new ATOM 0 HH21 ARG A 29 -3.007 3.441 10.537 1.00 74.13 H new ATOM 0 HH22 ARG A 29 -4.350 4.400 11.168 1.00 74.13 H new ATOM 445 N ALA A 30 -3.679 2.784 3.062 1.00 34.14 N ATOM 446 CA ALA A 30 -4.685 1.864 2.501 1.00 14.43 C ATOM 447 C ALA A 30 -4.060 0.936 1.440 1.00 14.42 C ATOM 448 O ALA A 30 -4.167 -0.284 1.546 1.00 22.45 O ATOM 449 CB ALA A 30 -5.858 2.667 1.913 1.00 32.44 C ATOM 0 H ALA A 30 -3.876 3.767 2.873 1.00 34.14 H new ATOM 0 HA ALA A 30 -5.063 1.231 3.304 1.00 14.43 H new ATOM 0 HB1 ALA A 30 -6.598 1.981 1.500 1.00 32.44 H new ATOM 0 HB2 ALA A 30 -6.318 3.267 2.698 1.00 32.44 H new ATOM 0 HB3 ALA A 30 -5.491 3.323 1.123 1.00 32.44 H new ATOM 455 N LEU A 31 -3.368 1.550 0.456 1.00 63.20 N ATOM 456 CA LEU A 31 -2.696 0.835 -0.653 1.00 13.04 C ATOM 457 C LEU A 31 -1.530 -0.026 -0.133 1.00 41.02 C ATOM 458 O LEU A 31 -1.233 -1.085 -0.695 1.00 21.21 O ATOM 459 CB LEU A 31 -2.195 1.864 -1.707 1.00 61.31 C ATOM 460 CG LEU A 31 -3.322 2.678 -2.422 1.00 42.52 C ATOM 461 CD1 LEU A 31 -2.752 3.838 -3.269 1.00 42.03 C ATOM 462 CD2 LEU A 31 -4.218 1.747 -3.265 1.00 3.11 C ATOM 0 H LEU A 31 -3.259 2.563 0.408 1.00 63.20 H new ATOM 0 HA LEU A 31 -3.414 0.163 -1.123 1.00 13.04 H new ATOM 0 HB2 LEU A 31 -1.518 2.563 -1.217 1.00 61.31 H new ATOM 0 HB3 LEU A 31 -1.615 1.334 -2.463 1.00 61.31 H new ATOM 0 HG LEU A 31 -3.941 3.132 -1.648 1.00 42.52 H new ATOM 0 HD11 LEU A 31 -3.571 4.376 -3.747 1.00 42.03 H new ATOM 0 HD12 LEU A 31 -2.197 4.520 -2.625 1.00 42.03 H new ATOM 0 HD13 LEU A 31 -2.086 3.437 -4.033 1.00 42.03 H new ATOM 0 HD21 LEU A 31 -4.995 2.335 -3.754 1.00 3.11 H new ATOM 0 HD22 LEU A 31 -3.613 1.246 -4.021 1.00 3.11 H new ATOM 0 HD23 LEU A 31 -4.680 1.002 -2.617 1.00 3.11 H new ATOM 474 N TYR A 32 -0.893 0.445 0.956 1.00 51.33 N ATOM 475 CA TYR A 32 0.185 -0.278 1.649 1.00 25.14 C ATOM 476 C TYR A 32 -0.356 -1.599 2.241 1.00 72.41 C ATOM 477 O TYR A 32 0.252 -2.651 2.049 1.00 44.23 O ATOM 478 CB TYR A 32 0.799 0.622 2.757 1.00 24.43 C ATOM 479 CG TYR A 32 1.990 0.014 3.510 1.00 43.44 C ATOM 480 CD1 TYR A 32 3.257 -0.046 2.923 1.00 14.45 C ATOM 481 CD2 TYR A 32 1.854 -0.508 4.803 1.00 14.10 C ATOM 482 CE1 TYR A 32 4.333 -0.588 3.592 1.00 72.04 C ATOM 483 CE2 TYR A 32 2.934 -1.053 5.471 1.00 52.10 C ATOM 484 CZ TYR A 32 4.168 -1.097 4.861 1.00 20.23 C ATOM 485 OH TYR A 32 5.244 -1.650 5.528 1.00 52.15 O ATOM 0 H TYR A 32 -1.115 1.345 1.381 1.00 51.33 H new ATOM 0 HA TYR A 32 0.971 -0.524 0.935 1.00 25.14 H new ATOM 0 HB2 TYR A 32 1.117 1.561 2.304 1.00 24.43 H new ATOM 0 HB3 TYR A 32 0.019 0.864 3.479 1.00 24.43 H new ATOM 0 HD1 TYR A 32 3.396 0.341 1.924 1.00 14.45 H new ATOM 0 HD2 TYR A 32 0.888 -0.484 5.286 1.00 14.10 H new ATOM 0 HE1 TYR A 32 5.305 -0.614 3.122 1.00 72.04 H new ATOM 0 HE2 TYR A 32 2.811 -1.444 6.470 1.00 52.10 H new ATOM 0 HH TYR A 32 4.956 -1.961 6.412 1.00 52.15 H new ATOM 495 N ASN A 33 -1.521 -1.531 2.928 1.00 61.14 N ATOM 496 CA ASN A 33 -2.157 -2.714 3.556 1.00 44.31 C ATOM 497 C ASN A 33 -2.724 -3.684 2.511 1.00 61.22 C ATOM 498 O ASN A 33 -2.695 -4.897 2.730 1.00 64.40 O ATOM 499 CB ASN A 33 -3.261 -2.310 4.577 1.00 12.43 C ATOM 500 CG ASN A 33 -2.675 -1.802 5.896 1.00 34.34 C ATOM 501 OD1 ASN A 33 -2.278 -2.593 6.751 1.00 33.41 O ATOM 502 ND2 ASN A 33 -2.659 -0.501 6.096 1.00 70.51 N ATOM 0 H ASN A 33 -2.042 -0.664 3.062 1.00 61.14 H new ATOM 0 HA ASN A 33 -1.367 -3.231 4.102 1.00 44.31 H new ATOM 0 HB2 ASN A 33 -3.891 -1.535 4.140 1.00 12.43 H new ATOM 0 HB3 ASN A 33 -3.902 -3.169 4.774 1.00 12.43 H new ATOM 0 HD21 ASN A 33 -2.311 -0.125 6.978 1.00 70.51 H new ATOM 0 HD22 ASN A 33 -2.994 0.131 5.369 1.00 70.51 H new ATOM 509 N ILE A 34 -3.240 -3.141 1.385 1.00 0.41 N ATOM 510 CA ILE A 34 -3.683 -3.952 0.232 1.00 31.43 C ATOM 511 C ILE A 34 -2.486 -4.770 -0.297 1.00 0.22 C ATOM 512 O ILE A 34 -2.605 -5.974 -0.571 1.00 72.23 O ATOM 513 CB ILE A 34 -4.290 -3.062 -0.928 1.00 41.21 C ATOM 514 CG1 ILE A 34 -5.584 -2.315 -0.449 1.00 64.13 C ATOM 515 CG2 ILE A 34 -4.574 -3.903 -2.201 1.00 32.03 C ATOM 516 CD1 ILE A 34 -6.169 -1.337 -1.465 1.00 31.52 C ATOM 0 H ILE A 34 -3.360 -2.137 1.252 1.00 0.41 H new ATOM 0 HA ILE A 34 -4.476 -4.618 0.571 1.00 31.43 H new ATOM 0 HB ILE A 34 -3.544 -2.311 -1.188 1.00 41.21 H new ATOM 0 HG12 ILE A 34 -6.343 -3.056 -0.199 1.00 64.13 H new ATOM 0 HG13 ILE A 34 -5.355 -1.772 0.468 1.00 64.13 H new ATOM 0 HG21 ILE A 34 -4.990 -3.260 -2.977 1.00 32.03 H new ATOM 0 HG22 ILE A 34 -3.645 -4.348 -2.558 1.00 32.03 H new ATOM 0 HG23 ILE A 34 -5.287 -4.693 -1.964 1.00 32.03 H new ATOM 0 HD11 ILE A 34 -7.060 -0.868 -1.047 1.00 31.52 H new ATOM 0 HD12 ILE A 34 -5.431 -0.570 -1.698 1.00 31.52 H new ATOM 0 HD13 ILE A 34 -6.434 -1.874 -2.376 1.00 31.52 H new ATOM 528 N GLY A 35 -1.324 -4.084 -0.386 1.00 5.15 N ATOM 529 CA GLY A 35 -0.071 -4.701 -0.788 1.00 32.14 C ATOM 530 C GLY A 35 0.339 -5.840 0.142 1.00 12.21 C ATOM 531 O GLY A 35 0.698 -6.916 -0.327 1.00 43.12 O ATOM 0 H GLY A 35 -1.244 -3.089 -0.178 1.00 5.15 H new ATOM 0 HA2 GLY A 35 -0.166 -5.082 -1.805 1.00 32.14 H new ATOM 0 HA3 GLY A 35 0.715 -3.946 -0.802 1.00 32.14 H new ATOM 535 N LEU A 36 0.238 -5.594 1.470 1.00 31.41 N ATOM 536 CA LEU A 36 0.591 -6.581 2.523 1.00 61.22 C ATOM 537 C LEU A 36 -0.233 -7.876 2.392 1.00 75.44 C ATOM 538 O LEU A 36 0.289 -8.970 2.650 1.00 52.55 O ATOM 539 CB LEU A 36 0.382 -5.972 3.941 1.00 30.22 C ATOM 540 CG LEU A 36 1.287 -4.757 4.313 1.00 40.35 C ATOM 541 CD1 LEU A 36 0.866 -4.155 5.666 1.00 50.44 C ATOM 542 CD2 LEU A 36 2.784 -5.140 4.309 1.00 63.24 C ATOM 0 H LEU A 36 -0.091 -4.704 1.844 1.00 31.41 H new ATOM 0 HA LEU A 36 1.643 -6.830 2.387 1.00 61.22 H new ATOM 0 HB2 LEU A 36 -0.659 -5.663 4.030 1.00 30.22 H new ATOM 0 HB3 LEU A 36 0.545 -6.758 4.678 1.00 30.22 H new ATOM 0 HG LEU A 36 1.149 -3.994 3.547 1.00 40.35 H new ATOM 0 HD11 LEU A 36 1.511 -3.309 5.904 1.00 50.44 H new ATOM 0 HD12 LEU A 36 -0.169 -3.817 5.608 1.00 50.44 H new ATOM 0 HD13 LEU A 36 0.957 -4.912 6.445 1.00 50.44 H new ATOM 0 HD21 LEU A 36 3.383 -4.268 4.573 1.00 63.24 H new ATOM 0 HD22 LEU A 36 2.958 -5.934 5.036 1.00 63.24 H new ATOM 0 HD23 LEU A 36 3.068 -5.488 3.316 1.00 63.24 H new ATOM 554 N GLU A 37 -1.518 -7.733 1.991 1.00 3.54 N ATOM 555 CA GLU A 37 -2.426 -8.876 1.806 1.00 4.42 C ATOM 556 C GLU A 37 -1.937 -9.769 0.655 1.00 1.20 C ATOM 557 O GLU A 37 -1.837 -10.990 0.815 1.00 24.12 O ATOM 558 CB GLU A 37 -3.877 -8.408 1.549 1.00 44.03 C ATOM 559 CG GLU A 37 -4.492 -7.541 2.665 1.00 54.54 C ATOM 560 CD GLU A 37 -4.488 -8.219 4.044 1.00 12.12 C ATOM 561 OE1 GLU A 37 -5.388 -9.042 4.320 1.00 43.14 O ATOM 562 OE2 GLU A 37 -3.580 -7.943 4.861 1.00 42.43 O ATOM 0 H GLU A 37 -1.946 -6.829 1.790 1.00 3.54 H new ATOM 0 HA GLU A 37 -2.422 -9.458 2.728 1.00 4.42 H new ATOM 0 HB2 GLU A 37 -3.900 -7.843 0.617 1.00 44.03 H new ATOM 0 HB3 GLU A 37 -4.506 -9.287 1.405 1.00 44.03 H new ATOM 0 HG2 GLU A 37 -3.942 -6.602 2.729 1.00 54.54 H new ATOM 0 HG3 GLU A 37 -5.518 -7.291 2.395 1.00 54.54 H new ATOM 569 N LYS A 38 -1.614 -9.143 -0.500 1.00 32.52 N ATOM 570 CA LYS A 38 -1.032 -9.853 -1.658 1.00 20.52 C ATOM 571 C LYS A 38 0.319 -10.506 -1.282 1.00 4.22 C ATOM 572 O LYS A 38 0.587 -11.657 -1.645 1.00 21.43 O ATOM 573 CB LYS A 38 -0.833 -8.902 -2.877 1.00 53.12 C ATOM 574 CG LYS A 38 -2.076 -8.662 -3.774 1.00 12.00 C ATOM 575 CD LYS A 38 -3.035 -7.585 -3.251 1.00 44.24 C ATOM 576 CE LYS A 38 -4.163 -7.253 -4.258 1.00 23.42 C ATOM 577 NZ LYS A 38 -5.120 -8.382 -4.457 1.00 71.23 N ATOM 0 H LYS A 38 -1.748 -8.144 -0.653 1.00 32.52 H new ATOM 0 HA LYS A 38 -1.739 -10.632 -1.943 1.00 20.52 H new ATOM 0 HB2 LYS A 38 -0.489 -7.937 -2.505 1.00 53.12 H new ATOM 0 HB3 LYS A 38 -0.035 -9.307 -3.500 1.00 53.12 H new ATOM 0 HG2 LYS A 38 -1.740 -8.379 -4.772 1.00 12.00 H new ATOM 0 HG3 LYS A 38 -2.622 -9.600 -3.876 1.00 12.00 H new ATOM 0 HD2 LYS A 38 -3.477 -7.922 -2.314 1.00 44.24 H new ATOM 0 HD3 LYS A 38 -2.472 -6.678 -3.030 1.00 44.24 H new ATOM 0 HE2 LYS A 38 -4.710 -6.378 -3.907 1.00 23.42 H new ATOM 0 HE3 LYS A 38 -3.719 -6.987 -5.217 1.00 23.42 H new ATOM 0 HZ1 LYS A 38 -6.004 -8.019 -4.867 1.00 71.23 H new ATOM 0 HZ2 LYS A 38 -4.701 -9.083 -5.101 1.00 71.23 H new ATOM 0 HZ3 LYS A 38 -5.322 -8.831 -3.541 1.00 71.23 H new ATOM 591 N ASN A 39 1.120 -9.761 -0.505 1.00 14.31 N ATOM 592 CA ASN A 39 2.513 -10.112 -0.162 1.00 55.31 C ATOM 593 C ASN A 39 2.576 -11.422 0.646 1.00 1.25 C ATOM 594 O ASN A 39 3.376 -12.312 0.337 1.00 62.34 O ATOM 595 CB ASN A 39 3.157 -8.933 0.626 1.00 21.04 C ATOM 596 CG ASN A 39 4.641 -9.137 0.938 1.00 51.32 C ATOM 597 OD1 ASN A 39 5.003 -9.649 1.994 1.00 51.24 O ATOM 598 ND2 ASN A 39 5.511 -8.748 0.014 1.00 13.55 N ATOM 0 H ASN A 39 0.815 -8.881 -0.088 1.00 14.31 H new ATOM 0 HA ASN A 39 3.076 -10.278 -1.081 1.00 55.31 H new ATOM 0 HB2 ASN A 39 3.039 -8.016 0.049 1.00 21.04 H new ATOM 0 HB3 ASN A 39 2.614 -8.794 1.561 1.00 21.04 H new ATOM 0 HD21 ASN A 39 6.511 -8.871 0.171 1.00 13.55 H new ATOM 0 HD22 ASN A 39 5.179 -8.326 -0.853 1.00 13.55 H new ATOM 605 N LYS A 40 1.688 -11.529 1.657 1.00 4.23 N ATOM 606 CA LYS A 40 1.634 -12.700 2.559 1.00 22.25 C ATOM 607 C LYS A 40 1.007 -13.925 1.855 1.00 71.11 C ATOM 608 O LYS A 40 1.288 -15.066 2.229 1.00 13.20 O ATOM 609 CB LYS A 40 0.848 -12.349 3.854 1.00 43.21 C ATOM 610 CG LYS A 40 -0.660 -12.096 3.643 1.00 54.32 C ATOM 611 CD LYS A 40 -1.373 -11.575 4.911 1.00 2.42 C ATOM 612 CE LYS A 40 -2.881 -11.398 4.696 1.00 44.42 C ATOM 613 NZ LYS A 40 -3.534 -10.751 5.861 1.00 2.45 N ATOM 0 H LYS A 40 0.994 -10.813 1.870 1.00 4.23 H new ATOM 0 HA LYS A 40 2.656 -12.963 2.831 1.00 22.25 H new ATOM 0 HB2 LYS A 40 0.970 -13.163 4.569 1.00 43.21 H new ATOM 0 HB3 LYS A 40 1.292 -11.461 4.303 1.00 43.21 H new ATOM 0 HG2 LYS A 40 -0.791 -11.374 2.837 1.00 54.32 H new ATOM 0 HG3 LYS A 40 -1.136 -13.022 3.321 1.00 54.32 H new ATOM 0 HD2 LYS A 40 -1.204 -12.271 5.733 1.00 2.42 H new ATOM 0 HD3 LYS A 40 -0.935 -10.621 5.206 1.00 2.42 H new ATOM 0 HE2 LYS A 40 -3.052 -10.796 3.803 1.00 44.42 H new ATOM 0 HE3 LYS A 40 -3.339 -12.371 4.517 1.00 44.42 H new ATOM 0 HZ1 LYS A 40 -4.421 -10.301 5.556 1.00 2.45 H new ATOM 0 HZ2 LYS A 40 -3.740 -11.468 6.586 1.00 2.45 H new ATOM 0 HZ3 LYS A 40 -2.899 -10.030 6.259 1.00 2.45 H new ATOM 627 N MET A 41 0.155 -13.674 0.834 1.00 53.23 N ATOM 628 CA MET A 41 -0.492 -14.747 0.038 1.00 23.02 C ATOM 629 C MET A 41 0.478 -15.375 -0.978 1.00 10.33 C ATOM 630 O MET A 41 0.219 -16.475 -1.489 1.00 62.20 O ATOM 631 CB MET A 41 -1.757 -14.208 -0.698 1.00 52.21 C ATOM 632 CG MET A 41 -2.966 -13.959 0.212 1.00 53.54 C ATOM 633 SD MET A 41 -4.464 -13.535 -0.707 1.00 54.03 S ATOM 634 CE MET A 41 -4.089 -11.893 -1.321 1.00 53.33 C ATOM 0 H MET A 41 -0.103 -12.732 0.540 1.00 53.23 H new ATOM 0 HA MET A 41 -0.793 -15.525 0.740 1.00 23.02 H new ATOM 0 HB2 MET A 41 -1.499 -13.276 -1.201 1.00 52.21 H new ATOM 0 HB3 MET A 41 -2.042 -14.920 -1.472 1.00 52.21 H new ATOM 0 HG2 MET A 41 -3.153 -14.850 0.811 1.00 53.54 H new ATOM 0 HG3 MET A 41 -2.731 -13.152 0.906 1.00 53.54 H new ATOM 0 HE1 MET A 41 -4.817 -11.614 -2.082 1.00 53.33 H new ATOM 0 HE2 MET A 41 -4.132 -11.179 -0.499 1.00 53.33 H new ATOM 0 HE3 MET A 41 -3.089 -11.887 -1.756 1.00 53.33 H new ATOM 644 N GLY A 42 1.579 -14.674 -1.266 1.00 35.23 N ATOM 645 CA GLY A 42 2.518 -15.090 -2.310 1.00 12.51 C ATOM 646 C GLY A 42 2.214 -14.432 -3.649 1.00 12.14 C ATOM 647 O GLY A 42 2.915 -14.678 -4.637 1.00 35.30 O ATOM 0 H GLY A 42 1.842 -13.812 -0.788 1.00 35.23 H new ATOM 0 HA2 GLY A 42 3.534 -14.838 -2.005 1.00 12.51 H new ATOM 0 HA3 GLY A 42 2.478 -16.174 -2.422 1.00 12.51 H new ATOM 651 N LYS A 43 1.186 -13.561 -3.673 1.00 12.32 N ATOM 652 CA LYS A 43 0.809 -12.758 -4.857 1.00 32.23 C ATOM 653 C LYS A 43 1.610 -11.445 -4.828 1.00 1.41 C ATOM 654 O LYS A 43 1.080 -10.345 -5.025 1.00 12.44 O ATOM 655 CB LYS A 43 -0.716 -12.481 -4.818 1.00 41.52 C ATOM 656 CG LYS A 43 -1.580 -13.737 -4.603 1.00 43.13 C ATOM 657 CD LYS A 43 -3.091 -13.415 -4.548 1.00 51.11 C ATOM 658 CE LYS A 43 -3.944 -14.634 -4.176 1.00 43.41 C ATOM 659 NZ LYS A 43 -5.393 -14.309 -4.150 1.00 22.32 N ATOM 0 H LYS A 43 0.587 -13.392 -2.864 1.00 12.32 H new ATOM 0 HA LYS A 43 1.036 -13.293 -5.779 1.00 32.23 H new ATOM 0 HB2 LYS A 43 -0.924 -11.769 -4.019 1.00 41.52 H new ATOM 0 HB3 LYS A 43 -1.012 -12.006 -5.753 1.00 41.52 H new ATOM 0 HG2 LYS A 43 -1.392 -14.446 -5.410 1.00 43.13 H new ATOM 0 HG3 LYS A 43 -1.282 -14.224 -3.675 1.00 43.13 H new ATOM 0 HD2 LYS A 43 -3.263 -12.621 -3.821 1.00 51.11 H new ATOM 0 HD3 LYS A 43 -3.412 -13.034 -5.517 1.00 51.11 H new ATOM 0 HE2 LYS A 43 -3.764 -15.435 -4.893 1.00 43.41 H new ATOM 0 HE3 LYS A 43 -3.638 -15.007 -3.198 1.00 43.41 H new ATOM 0 HZ1 LYS A 43 -5.938 -15.170 -3.944 1.00 22.32 H new ATOM 0 HZ2 LYS A 43 -5.576 -13.599 -3.413 1.00 22.32 H new ATOM 0 HZ3 LYS A 43 -5.680 -13.930 -5.075 1.00 22.32 H new ATOM 673 N VAL A 44 2.923 -11.609 -4.690 1.00 75.41 N ATOM 674 CA VAL A 44 3.849 -10.539 -4.306 1.00 52.02 C ATOM 675 C VAL A 44 4.070 -9.534 -5.458 1.00 74.32 C ATOM 676 O VAL A 44 4.436 -8.379 -5.217 1.00 22.53 O ATOM 677 CB VAL A 44 5.208 -11.143 -3.798 1.00 51.33 C ATOM 678 CG1 VAL A 44 6.129 -10.056 -3.234 1.00 33.22 C ATOM 679 CG2 VAL A 44 4.970 -12.245 -2.739 1.00 72.54 C ATOM 0 H VAL A 44 3.385 -12.505 -4.844 1.00 75.41 H new ATOM 0 HA VAL A 44 3.397 -9.983 -3.485 1.00 52.02 H new ATOM 0 HB VAL A 44 5.701 -11.593 -4.659 1.00 51.33 H new ATOM 0 HG11 VAL A 44 7.060 -10.509 -2.892 1.00 33.22 H new ATOM 0 HG12 VAL A 44 6.346 -9.324 -4.012 1.00 33.22 H new ATOM 0 HG13 VAL A 44 5.637 -9.561 -2.397 1.00 33.22 H new ATOM 0 HG21 VAL A 44 5.929 -12.644 -2.407 1.00 72.54 H new ATOM 0 HG22 VAL A 44 4.438 -11.822 -1.887 1.00 72.54 H new ATOM 0 HG23 VAL A 44 4.375 -13.047 -3.176 1.00 72.54 H new ATOM 689 N LYS A 45 3.842 -9.997 -6.703 1.00 73.44 N ATOM 690 CA LYS A 45 3.934 -9.154 -7.914 1.00 20.14 C ATOM 691 C LYS A 45 3.013 -7.915 -7.792 1.00 53.14 C ATOM 692 O LYS A 45 3.459 -6.780 -7.986 1.00 4.24 O ATOM 693 CB LYS A 45 3.548 -9.975 -9.171 1.00 40.22 C ATOM 694 CG LYS A 45 4.385 -11.252 -9.402 1.00 31.12 C ATOM 695 CD LYS A 45 3.888 -12.042 -10.643 1.00 21.34 C ATOM 696 CE LYS A 45 4.643 -13.358 -10.879 1.00 64.03 C ATOM 697 NZ LYS A 45 4.163 -14.047 -12.111 1.00 51.52 N ATOM 0 H LYS A 45 3.589 -10.966 -6.898 1.00 73.44 H new ATOM 0 HA LYS A 45 4.965 -8.813 -8.013 1.00 20.14 H new ATOM 0 HB2 LYS A 45 2.498 -10.257 -9.093 1.00 40.22 H new ATOM 0 HB3 LYS A 45 3.642 -9.334 -10.048 1.00 40.22 H new ATOM 0 HG2 LYS A 45 5.432 -10.982 -9.537 1.00 31.12 H new ATOM 0 HG3 LYS A 45 4.331 -11.888 -8.519 1.00 31.12 H new ATOM 0 HD2 LYS A 45 2.826 -12.259 -10.524 1.00 21.34 H new ATOM 0 HD3 LYS A 45 3.987 -11.413 -11.527 1.00 21.34 H new ATOM 0 HE2 LYS A 45 5.711 -13.156 -10.966 1.00 64.03 H new ATOM 0 HE3 LYS A 45 4.511 -14.014 -10.019 1.00 64.03 H new ATOM 0 HZ1 LYS A 45 4.693 -14.932 -12.242 1.00 51.52 H new ATOM 0 HZ2 LYS A 45 3.150 -14.261 -12.017 1.00 51.52 H new ATOM 0 HZ3 LYS A 45 4.312 -13.429 -12.934 1.00 51.52 H new ATOM 711 N GLU A 46 1.733 -8.165 -7.440 1.00 5.34 N ATOM 712 CA GLU A 46 0.732 -7.102 -7.233 1.00 54.42 C ATOM 713 C GLU A 46 1.088 -6.249 -5.998 1.00 42.04 C ATOM 714 O GLU A 46 0.899 -5.026 -6.011 1.00 2.14 O ATOM 715 CB GLU A 46 -0.701 -7.681 -7.065 1.00 75.33 C ATOM 716 CG GLU A 46 -1.276 -8.443 -8.289 1.00 11.22 C ATOM 717 CD GLU A 46 -0.769 -9.889 -8.426 1.00 13.25 C ATOM 718 OE1 GLU A 46 -1.324 -10.783 -7.754 1.00 41.22 O ATOM 719 OE2 GLU A 46 0.168 -10.143 -9.207 1.00 11.44 O ATOM 0 H GLU A 46 1.368 -9.106 -7.292 1.00 5.34 H new ATOM 0 HA GLU A 46 0.746 -6.475 -8.125 1.00 54.42 H new ATOM 0 HB2 GLU A 46 -0.700 -8.356 -6.209 1.00 75.33 H new ATOM 0 HB3 GLU A 46 -1.377 -6.861 -6.823 1.00 75.33 H new ATOM 0 HG2 GLU A 46 -2.364 -8.456 -8.216 1.00 11.22 H new ATOM 0 HG3 GLU A 46 -1.024 -7.894 -9.196 1.00 11.22 H new ATOM 726 N ALA A 47 1.619 -6.919 -4.947 1.00 0.32 N ATOM 727 CA ALA A 47 2.003 -6.284 -3.670 1.00 3.53 C ATOM 728 C ALA A 47 2.987 -5.127 -3.891 1.00 74.03 C ATOM 729 O ALA A 47 2.794 -4.036 -3.347 1.00 32.01 O ATOM 730 CB ALA A 47 2.622 -7.318 -2.723 1.00 34.51 C ATOM 0 H ALA A 47 1.793 -7.924 -4.965 1.00 0.32 H new ATOM 0 HA ALA A 47 1.097 -5.879 -3.219 1.00 3.53 H new ATOM 0 HB1 ALA A 47 2.899 -6.834 -1.787 1.00 34.51 H new ATOM 0 HB2 ALA A 47 1.898 -8.107 -2.523 1.00 34.51 H new ATOM 0 HB3 ALA A 47 3.510 -7.749 -3.185 1.00 34.51 H new ATOM 736 N ILE A 48 4.016 -5.410 -4.724 1.00 13.43 N ATOM 737 CA ILE A 48 5.044 -4.443 -5.154 1.00 23.44 C ATOM 738 C ILE A 48 4.398 -3.176 -5.728 1.00 65.20 C ATOM 739 O ILE A 48 4.702 -2.067 -5.283 1.00 62.13 O ATOM 740 CB ILE A 48 5.994 -5.109 -6.231 1.00 74.35 C ATOM 741 CG1 ILE A 48 6.846 -6.231 -5.568 1.00 31.21 C ATOM 742 CG2 ILE A 48 6.898 -4.078 -6.960 1.00 43.51 C ATOM 743 CD1 ILE A 48 7.692 -7.039 -6.527 1.00 73.24 C ATOM 0 H ILE A 48 4.154 -6.339 -5.123 1.00 13.43 H new ATOM 0 HA ILE A 48 5.635 -4.158 -4.283 1.00 23.44 H new ATOM 0 HB ILE A 48 5.356 -5.548 -6.998 1.00 74.35 H new ATOM 0 HG12 ILE A 48 7.500 -5.778 -4.823 1.00 31.21 H new ATOM 0 HG13 ILE A 48 6.178 -6.908 -5.036 1.00 31.21 H new ATOM 0 HG21 ILE A 48 7.526 -4.594 -7.686 1.00 43.51 H new ATOM 0 HG22 ILE A 48 6.274 -3.347 -7.475 1.00 43.51 H new ATOM 0 HG23 ILE A 48 7.529 -3.568 -6.232 1.00 43.51 H new ATOM 0 HD11 ILE A 48 8.249 -7.795 -5.973 1.00 73.24 H new ATOM 0 HD12 ILE A 48 7.048 -7.526 -7.259 1.00 73.24 H new ATOM 0 HD13 ILE A 48 8.390 -6.379 -7.041 1.00 73.24 H new ATOM 755 N GLU A 49 3.458 -3.384 -6.671 1.00 65.13 N ATOM 756 CA GLU A 49 2.771 -2.298 -7.397 1.00 4.03 C ATOM 757 C GLU A 49 2.006 -1.381 -6.429 1.00 1.52 C ATOM 758 O GLU A 49 2.001 -0.165 -6.606 1.00 61.20 O ATOM 759 CB GLU A 49 1.823 -2.890 -8.471 1.00 70.22 C ATOM 760 CG GLU A 49 2.529 -3.808 -9.491 1.00 34.11 C ATOM 761 CD GLU A 49 1.565 -4.394 -10.532 1.00 64.50 C ATOM 762 OE1 GLU A 49 0.909 -5.417 -10.239 1.00 24.42 O ATOM 763 OE2 GLU A 49 1.440 -3.823 -11.642 1.00 44.44 O ATOM 0 H GLU A 49 3.152 -4.316 -6.952 1.00 65.13 H new ATOM 0 HA GLU A 49 3.523 -1.689 -7.898 1.00 4.03 H new ATOM 0 HB2 GLU A 49 1.034 -3.455 -7.974 1.00 70.22 H new ATOM 0 HB3 GLU A 49 1.341 -2.072 -9.006 1.00 70.22 H new ATOM 0 HG2 GLU A 49 3.309 -3.243 -10.002 1.00 34.11 H new ATOM 0 HG3 GLU A 49 3.021 -4.622 -8.960 1.00 34.11 H new ATOM 770 N TYR A 50 1.390 -1.982 -5.393 1.00 32.53 N ATOM 771 CA TYR A 50 0.636 -1.245 -4.359 1.00 31.34 C ATOM 772 C TYR A 50 1.558 -0.491 -3.380 1.00 63.51 C ATOM 773 O TYR A 50 1.179 0.577 -2.890 1.00 25.05 O ATOM 774 CB TYR A 50 -0.314 -2.191 -3.592 1.00 63.00 C ATOM 775 CG TYR A 50 -1.572 -2.563 -4.377 1.00 40.24 C ATOM 776 CD1 TYR A 50 -2.595 -1.628 -4.569 1.00 61.23 C ATOM 777 CD2 TYR A 50 -1.737 -3.828 -4.943 1.00 15.15 C ATOM 778 CE1 TYR A 50 -3.728 -1.949 -5.286 1.00 53.21 C ATOM 779 CE2 TYR A 50 -2.867 -4.150 -5.661 1.00 23.21 C ATOM 780 CZ TYR A 50 -3.857 -3.209 -5.834 1.00 63.14 C ATOM 781 OH TYR A 50 -4.988 -3.532 -6.551 1.00 51.31 O ATOM 0 H TYR A 50 1.401 -2.992 -5.249 1.00 32.53 H new ATOM 0 HA TYR A 50 0.041 -0.494 -4.879 1.00 31.34 H new ATOM 0 HB2 TYR A 50 0.225 -3.102 -3.333 1.00 63.00 H new ATOM 0 HB3 TYR A 50 -0.607 -1.717 -2.655 1.00 63.00 H new ATOM 0 HD1 TYR A 50 -2.495 -0.638 -4.148 1.00 61.23 H new ATOM 0 HD2 TYR A 50 -0.962 -4.570 -4.815 1.00 15.15 H new ATOM 0 HE1 TYR A 50 -4.511 -1.217 -5.418 1.00 53.21 H new ATOM 0 HE2 TYR A 50 -2.976 -5.137 -6.087 1.00 23.21 H new ATOM 0 HH TYR A 50 -4.921 -4.456 -6.869 1.00 51.31 H new ATOM 791 N PHE A 51 2.747 -1.059 -3.075 1.00 31.22 N ATOM 792 CA PHE A 51 3.762 -0.372 -2.237 1.00 63.12 C ATOM 793 C PHE A 51 4.377 0.810 -3.011 1.00 20.41 C ATOM 794 O PHE A 51 4.818 1.786 -2.405 1.00 33.00 O ATOM 795 CB PHE A 51 4.899 -1.332 -1.793 1.00 73.35 C ATOM 796 CG PHE A 51 4.481 -2.543 -0.963 1.00 42.42 C ATOM 797 CD1 PHE A 51 3.498 -2.443 0.023 1.00 44.43 C ATOM 798 CD2 PHE A 51 5.092 -3.787 -1.163 1.00 63.12 C ATOM 799 CE1 PHE A 51 3.134 -3.547 0.767 1.00 55.43 C ATOM 800 CE2 PHE A 51 4.723 -4.890 -0.417 1.00 31.43 C ATOM 801 CZ PHE A 51 3.744 -4.769 0.548 1.00 14.23 C ATOM 0 H PHE A 51 3.028 -1.986 -3.394 1.00 31.22 H new ATOM 0 HA PHE A 51 3.250 -0.013 -1.344 1.00 63.12 H new ATOM 0 HB2 PHE A 51 5.411 -1.690 -2.686 1.00 73.35 H new ATOM 0 HB3 PHE A 51 5.625 -0.758 -1.218 1.00 73.35 H new ATOM 0 HD1 PHE A 51 3.018 -1.493 0.205 1.00 44.43 H new ATOM 0 HD2 PHE A 51 5.864 -3.886 -1.912 1.00 63.12 H new ATOM 0 HE1 PHE A 51 2.369 -3.456 1.524 1.00 55.43 H new ATOM 0 HE2 PHE A 51 5.199 -5.844 -0.589 1.00 31.43 H new ATOM 0 HZ PHE A 51 3.454 -5.629 1.133 1.00 14.23 H new ATOM 811 N LEU A 52 4.407 0.685 -4.357 1.00 44.14 N ATOM 812 CA LEU A 52 4.904 1.741 -5.263 1.00 21.12 C ATOM 813 C LEU A 52 3.930 2.928 -5.260 1.00 54.31 C ATOM 814 O LEU A 52 4.359 4.089 -5.205 1.00 55.43 O ATOM 815 CB LEU A 52 5.078 1.194 -6.712 1.00 3.35 C ATOM 816 CG LEU A 52 6.232 0.161 -6.930 1.00 34.00 C ATOM 817 CD1 LEU A 52 6.125 -0.512 -8.313 1.00 33.23 C ATOM 818 CD2 LEU A 52 7.615 0.819 -6.742 1.00 71.15 C ATOM 0 H LEU A 52 4.087 -0.152 -4.844 1.00 44.14 H new ATOM 0 HA LEU A 52 5.879 2.073 -4.906 1.00 21.12 H new ATOM 0 HB2 LEU A 52 4.141 0.729 -7.017 1.00 3.35 H new ATOM 0 HB3 LEU A 52 5.246 2.040 -7.379 1.00 3.35 H new ATOM 0 HG LEU A 52 6.126 -0.615 -6.172 1.00 34.00 H new ATOM 0 HD11 LEU A 52 6.941 -1.225 -8.435 1.00 33.23 H new ATOM 0 HD12 LEU A 52 5.172 -1.035 -8.390 1.00 33.23 H new ATOM 0 HD13 LEU A 52 6.187 0.247 -9.093 1.00 33.23 H new ATOM 0 HD21 LEU A 52 8.396 0.075 -6.900 1.00 71.15 H new ATOM 0 HD22 LEU A 52 7.734 1.629 -7.462 1.00 71.15 H new ATOM 0 HD23 LEU A 52 7.693 1.218 -5.731 1.00 71.15 H new ATOM 830 N ARG A 53 2.612 2.609 -5.328 1.00 63.30 N ATOM 831 CA ARG A 53 1.537 3.612 -5.227 1.00 40.53 C ATOM 832 C ARG A 53 1.620 4.309 -3.864 1.00 12.04 C ATOM 833 O ARG A 53 1.673 5.531 -3.793 1.00 21.31 O ATOM 834 CB ARG A 53 0.126 2.977 -5.354 1.00 35.40 C ATOM 835 CG ARG A 53 -0.149 2.174 -6.634 1.00 42.13 C ATOM 836 CD ARG A 53 -1.569 1.572 -6.627 1.00 61.03 C ATOM 837 NE ARG A 53 -1.767 0.562 -7.669 1.00 32.24 N ATOM 838 CZ ARG A 53 -2.962 0.102 -8.078 1.00 31.13 C ATOM 839 NH1 ARG A 53 -4.088 0.567 -7.555 1.00 22.00 N ATOM 840 NH2 ARG A 53 -3.017 -0.850 -8.988 1.00 23.44 N ATOM 0 H ARG A 53 2.273 1.655 -5.453 1.00 63.30 H new ATOM 0 HA ARG A 53 1.676 4.317 -6.047 1.00 40.53 H new ATOM 0 HB2 ARG A 53 -0.031 2.320 -4.498 1.00 35.40 H new ATOM 0 HB3 ARG A 53 -0.615 3.774 -5.285 1.00 35.40 H new ATOM 0 HG2 ARG A 53 -0.031 2.821 -7.503 1.00 42.13 H new ATOM 0 HG3 ARG A 53 0.586 1.375 -6.729 1.00 42.13 H new ATOM 0 HD2 ARG A 53 -1.763 1.124 -5.653 1.00 61.03 H new ATOM 0 HD3 ARG A 53 -2.297 2.372 -6.761 1.00 61.03 H new ATOM 0 HE ARG A 53 -0.935 0.179 -8.118 1.00 32.24 H new ATOM 0 HH11 ARG A 53 -4.056 1.285 -6.831 1.00 22.00 H new ATOM 0 HH12 ARG A 53 -4.987 0.207 -7.877 1.00 22.00 H new ATOM 0 HH21 ARG A 53 -2.156 -1.233 -9.378 1.00 23.44 H new ATOM 0 HH22 ARG A 53 -3.921 -1.203 -9.302 1.00 23.44 H new ATOM 854 N ALA A 54 1.674 3.476 -2.801 1.00 4.30 N ATOM 855 CA ALA A 54 1.685 3.921 -1.400 1.00 30.15 C ATOM 856 C ALA A 54 2.829 4.905 -1.138 1.00 65.51 C ATOM 857 O ALA A 54 2.609 5.966 -0.554 1.00 32.32 O ATOM 858 CB ALA A 54 1.790 2.708 -0.462 1.00 64.51 C ATOM 0 H ALA A 54 1.712 2.461 -2.900 1.00 4.30 H new ATOM 0 HA ALA A 54 0.749 4.442 -1.201 1.00 30.15 H new ATOM 0 HB1 ALA A 54 1.797 3.048 0.573 1.00 64.51 H new ATOM 0 HB2 ALA A 54 0.936 2.050 -0.622 1.00 64.51 H new ATOM 0 HB3 ALA A 54 2.711 2.164 -0.672 1.00 64.51 H new ATOM 864 N LYS A 55 4.030 4.545 -1.633 1.00 45.45 N ATOM 865 CA LYS A 55 5.252 5.349 -1.501 1.00 63.25 C ATOM 866 C LYS A 55 5.099 6.707 -2.210 1.00 43.22 C ATOM 867 O LYS A 55 5.525 7.734 -1.678 1.00 73.34 O ATOM 868 CB LYS A 55 6.454 4.566 -2.088 1.00 50.31 C ATOM 869 CG LYS A 55 7.804 5.298 -1.972 1.00 63.11 C ATOM 870 CD LYS A 55 8.985 4.471 -2.517 1.00 11.44 C ATOM 871 CE LYS A 55 10.304 5.252 -2.457 1.00 35.21 C ATOM 872 NZ LYS A 55 10.261 6.496 -3.277 1.00 43.11 N ATOM 0 H LYS A 55 4.176 3.674 -2.143 1.00 45.45 H new ATOM 0 HA LYS A 55 5.430 5.543 -0.443 1.00 63.25 H new ATOM 0 HB2 LYS A 55 6.530 3.605 -1.579 1.00 50.31 H new ATOM 0 HB3 LYS A 55 6.257 4.355 -3.139 1.00 50.31 H new ATOM 0 HG2 LYS A 55 7.747 6.242 -2.514 1.00 63.11 H new ATOM 0 HG3 LYS A 55 7.990 5.542 -0.926 1.00 63.11 H new ATOM 0 HD2 LYS A 55 9.081 3.551 -1.940 1.00 11.44 H new ATOM 0 HD3 LYS A 55 8.781 4.181 -3.548 1.00 11.44 H new ATOM 0 HE2 LYS A 55 10.525 5.509 -1.421 1.00 35.21 H new ATOM 0 HE3 LYS A 55 11.117 4.616 -2.808 1.00 35.21 H new ATOM 0 HZ1 LYS A 55 11.224 6.873 -3.387 1.00 43.11 H new ATOM 0 HZ2 LYS A 55 9.864 6.281 -4.214 1.00 43.11 H new ATOM 0 HZ3 LYS A 55 9.665 7.204 -2.803 1.00 43.11 H new ATOM 886 N LYS A 56 4.485 6.681 -3.411 1.00 52.34 N ATOM 887 CA LYS A 56 4.186 7.890 -4.207 1.00 50.11 C ATOM 888 C LYS A 56 3.203 8.817 -3.471 1.00 3.14 C ATOM 889 O LYS A 56 3.393 10.037 -3.440 1.00 53.20 O ATOM 890 CB LYS A 56 3.606 7.483 -5.594 1.00 12.20 C ATOM 891 CG LYS A 56 3.016 8.657 -6.428 1.00 54.53 C ATOM 892 CD LYS A 56 2.485 8.228 -7.814 1.00 0.44 C ATOM 893 CE LYS A 56 3.593 7.695 -8.736 1.00 24.23 C ATOM 894 NZ LYS A 56 4.692 8.681 -8.917 1.00 52.23 N ATOM 0 H LYS A 56 4.181 5.816 -3.858 1.00 52.34 H new ATOM 0 HA LYS A 56 5.117 8.438 -4.352 1.00 50.11 H new ATOM 0 HB2 LYS A 56 4.394 7.004 -6.175 1.00 12.20 H new ATOM 0 HB3 LYS A 56 2.826 6.738 -5.441 1.00 12.20 H new ATOM 0 HG2 LYS A 56 2.205 9.119 -5.865 1.00 54.53 H new ATOM 0 HG3 LYS A 56 3.785 9.418 -6.563 1.00 54.53 H new ATOM 0 HD2 LYS A 56 1.724 7.458 -7.684 1.00 0.44 H new ATOM 0 HD3 LYS A 56 1.999 9.079 -8.291 1.00 0.44 H new ATOM 0 HE2 LYS A 56 3.999 6.773 -8.319 1.00 24.23 H new ATOM 0 HE3 LYS A 56 3.167 7.445 -9.708 1.00 24.23 H new ATOM 0 HZ1 LYS A 56 5.320 8.364 -9.683 1.00 52.23 H new ATOM 0 HZ2 LYS A 56 4.290 9.609 -9.161 1.00 52.23 H new ATOM 0 HZ3 LYS A 56 5.236 8.761 -8.034 1.00 52.23 H new ATOM 908 N VAL A 57 2.176 8.221 -2.857 1.00 63.52 N ATOM 909 CA VAL A 57 1.104 8.966 -2.185 1.00 20.14 C ATOM 910 C VAL A 57 1.637 9.597 -0.872 1.00 43.52 C ATOM 911 O VAL A 57 1.263 10.723 -0.511 1.00 23.10 O ATOM 912 CB VAL A 57 -0.143 8.034 -1.938 1.00 41.13 C ATOM 913 CG1 VAL A 57 -1.252 8.781 -1.201 1.00 3.31 C ATOM 914 CG2 VAL A 57 -0.697 7.462 -3.271 1.00 44.03 C ATOM 0 H VAL A 57 2.063 7.208 -2.811 1.00 63.52 H new ATOM 0 HA VAL A 57 0.771 9.781 -2.828 1.00 20.14 H new ATOM 0 HB VAL A 57 0.197 7.205 -1.318 1.00 41.13 H new ATOM 0 HG11 VAL A 57 -2.099 8.113 -1.045 1.00 3.31 H new ATOM 0 HG12 VAL A 57 -0.879 9.126 -0.237 1.00 3.31 H new ATOM 0 HG13 VAL A 57 -1.570 9.638 -1.795 1.00 3.31 H new ATOM 0 HG21 VAL A 57 -1.556 6.824 -3.064 1.00 44.03 H new ATOM 0 HG22 VAL A 57 -1.003 8.283 -3.920 1.00 44.03 H new ATOM 0 HG23 VAL A 57 0.078 6.877 -3.766 1.00 44.03 H new ATOM 924 N PHE A 58 2.554 8.872 -0.193 1.00 74.12 N ATOM 925 CA PHE A 58 3.291 9.394 0.978 1.00 54.00 C ATOM 926 C PHE A 58 4.282 10.496 0.543 1.00 64.41 C ATOM 927 O PHE A 58 4.463 11.476 1.260 1.00 50.02 O ATOM 928 CB PHE A 58 4.049 8.263 1.739 1.00 52.41 C ATOM 929 CG PHE A 58 3.167 7.339 2.592 1.00 62.03 C ATOM 930 CD1 PHE A 58 2.373 7.862 3.616 1.00 41.23 C ATOM 931 CD2 PHE A 58 3.166 5.954 2.409 1.00 50.01 C ATOM 932 CE1 PHE A 58 1.605 7.033 4.412 1.00 24.31 C ATOM 933 CE2 PHE A 58 2.404 5.127 3.209 1.00 65.13 C ATOM 934 CZ PHE A 58 1.627 5.666 4.213 1.00 1.21 C ATOM 0 H PHE A 58 2.802 7.914 -0.440 1.00 74.12 H new ATOM 0 HA PHE A 58 2.556 9.820 1.662 1.00 54.00 H new ATOM 0 HB2 PHE A 58 4.586 7.655 1.011 1.00 52.41 H new ATOM 0 HB3 PHE A 58 4.798 8.721 2.385 1.00 52.41 H new ATOM 0 HD1 PHE A 58 2.359 8.928 3.788 1.00 41.23 H new ATOM 0 HD2 PHE A 58 3.773 5.522 1.627 1.00 50.01 H new ATOM 0 HE1 PHE A 58 0.987 7.455 5.191 1.00 24.31 H new ATOM 0 HE2 PHE A 58 2.416 4.059 3.049 1.00 65.13 H new ATOM 0 HZ PHE A 58 1.035 5.019 4.844 1.00 1.21 H new ATOM 944 N ASP A 59 4.891 10.330 -0.652 1.00 25.34 N ATOM 945 CA ASP A 59 5.860 11.305 -1.213 1.00 2.11 C ATOM 946 C ASP A 59 5.170 12.653 -1.471 1.00 71.42 C ATOM 947 O ASP A 59 5.727 13.724 -1.178 1.00 22.21 O ATOM 948 CB ASP A 59 6.482 10.765 -2.534 1.00 51.24 C ATOM 949 CG ASP A 59 7.551 11.707 -3.130 1.00 24.34 C ATOM 950 OD1 ASP A 59 8.727 11.612 -2.723 1.00 72.44 O ATOM 951 OD2 ASP A 59 7.221 12.549 -4.000 1.00 72.31 O ATOM 0 H ASP A 59 4.728 9.523 -1.254 1.00 25.34 H new ATOM 0 HA ASP A 59 6.659 11.448 -0.486 1.00 2.11 H new ATOM 0 HB2 ASP A 59 6.930 9.790 -2.345 1.00 51.24 H new ATOM 0 HB3 ASP A 59 5.689 10.615 -3.267 1.00 51.24 H new ATOM 956 N ALA A 60 3.939 12.567 -2.006 1.00 52.50 N ATOM 957 CA ALA A 60 3.080 13.726 -2.281 1.00 60.12 C ATOM 958 C ALA A 60 2.744 14.486 -0.986 1.00 53.32 C ATOM 959 O ALA A 60 2.673 15.721 -0.976 1.00 12.15 O ATOM 960 CB ALA A 60 1.800 13.262 -2.991 1.00 33.32 C ATOM 0 H ALA A 60 3.510 11.678 -2.262 1.00 52.50 H new ATOM 0 HA ALA A 60 3.618 14.414 -2.933 1.00 60.12 H new ATOM 0 HB1 ALA A 60 1.164 14.124 -3.194 1.00 33.32 H new ATOM 0 HB2 ALA A 60 2.061 12.774 -3.930 1.00 33.32 H new ATOM 0 HB3 ALA A 60 1.265 12.558 -2.353 1.00 33.32 H new ATOM 966 N GLU A 61 2.554 13.724 0.107 1.00 43.03 N ATOM 967 CA GLU A 61 2.277 14.274 1.449 1.00 51.11 C ATOM 968 C GLU A 61 3.564 14.619 2.213 1.00 31.22 C ATOM 969 O GLU A 61 3.488 15.112 3.348 1.00 34.34 O ATOM 970 CB GLU A 61 1.431 13.265 2.263 1.00 42.13 C ATOM 971 CG GLU A 61 0.039 12.994 1.667 1.00 53.11 C ATOM 972 CD GLU A 61 -0.816 14.267 1.481 1.00 34.23 C ATOM 973 OE1 GLU A 61 -0.932 15.064 2.442 1.00 20.10 O ATOM 974 OE2 GLU A 61 -1.371 14.490 0.385 1.00 72.33 O ATOM 0 H GLU A 61 2.588 12.705 0.085 1.00 43.03 H new ATOM 0 HA GLU A 61 1.721 15.202 1.316 1.00 51.11 H new ATOM 0 HB2 GLU A 61 1.975 12.323 2.333 1.00 42.13 H new ATOM 0 HB3 GLU A 61 1.313 13.641 3.279 1.00 42.13 H new ATOM 0 HG2 GLU A 61 0.157 12.502 0.702 1.00 53.11 H new ATOM 0 HG3 GLU A 61 -0.495 12.300 2.316 1.00 53.11 H new ATOM 981 N HIS A 62 4.735 14.343 1.592 1.00 23.23 N ATOM 982 CA HIS A 62 6.073 14.553 2.197 1.00 34.42 C ATOM 983 C HIS A 62 6.241 13.752 3.503 1.00 33.42 C ATOM 984 O HIS A 62 7.071 14.094 4.357 1.00 73.01 O ATOM 985 CB HIS A 62 6.374 16.069 2.392 1.00 22.53 C ATOM 986 CG HIS A 62 6.547 16.831 1.100 1.00 24.21 C ATOM 987 ND1 HIS A 62 7.743 17.408 0.718 1.00 61.54 N ATOM 988 CD2 HIS A 62 5.674 17.116 0.105 1.00 54.54 C ATOM 989 CE1 HIS A 62 7.594 18.000 -0.446 1.00 1.44 C ATOM 990 NE2 HIS A 62 6.353 17.841 -0.836 1.00 20.42 N ATOM 0 H HIS A 62 4.778 13.964 0.646 1.00 23.23 H new ATOM 0 HA HIS A 62 6.815 14.167 1.498 1.00 34.42 H new ATOM 0 HB2 HIS A 62 5.562 16.520 2.962 1.00 22.53 H new ATOM 0 HB3 HIS A 62 7.280 16.175 2.989 1.00 22.53 H new ATOM 0 HD2 HIS A 62 4.635 16.825 0.062 1.00 54.54 H new ATOM 0 HE1 HIS A 62 8.364 18.528 -0.989 1.00 1.44 H new ATOM 0 HE2 HIS A 62 5.956 18.201 -1.704 1.00 20.42 H new ATOM 999 N ASP A 63 5.478 12.643 3.606 1.00 22.34 N ATOM 1000 CA ASP A 63 5.530 11.721 4.732 1.00 1.55 C ATOM 1001 C ASP A 63 6.735 10.798 4.526 1.00 34.21 C ATOM 1002 O ASP A 63 6.649 9.775 3.831 1.00 12.22 O ATOM 1003 CB ASP A 63 4.213 10.908 4.835 1.00 24.31 C ATOM 1004 CG ASP A 63 4.129 10.079 6.127 1.00 12.10 C ATOM 1005 OD1 ASP A 63 3.791 10.652 7.187 1.00 1.43 O ATOM 1006 OD2 ASP A 63 4.398 8.867 6.103 1.00 10.52 O ATOM 0 H ASP A 63 4.803 12.370 2.892 1.00 22.34 H new ATOM 0 HA ASP A 63 5.639 12.270 5.667 1.00 1.55 H new ATOM 0 HB2 ASP A 63 3.365 11.591 4.790 1.00 24.31 H new ATOM 0 HB3 ASP A 63 4.133 10.243 3.975 1.00 24.31 H new ATOM 1011 N THR A 64 7.875 11.236 5.077 1.00 71.04 N ATOM 1012 CA THR A 64 9.170 10.571 4.916 1.00 1.02 C ATOM 1013 C THR A 64 9.126 9.124 5.448 1.00 3.42 C ATOM 1014 O THR A 64 9.644 8.215 4.800 1.00 32.24 O ATOM 1015 CB THR A 64 10.315 11.400 5.602 1.00 42.34 C ATOM 1016 OG1 THR A 64 11.588 10.766 5.405 1.00 1.43 O ATOM 1017 CG2 THR A 64 10.081 11.613 7.108 1.00 54.01 C ATOM 0 H THR A 64 7.921 12.075 5.655 1.00 71.04 H new ATOM 0 HA THR A 64 9.390 10.519 3.850 1.00 1.02 H new ATOM 0 HB THR A 64 10.308 12.380 5.125 1.00 42.34 H new ATOM 0 HG1 THR A 64 12.289 11.297 5.838 1.00 1.43 H new ATOM 0 HG21 THR A 64 10.905 12.192 7.526 1.00 54.01 H new ATOM 0 HG22 THR A 64 9.146 12.152 7.258 1.00 54.01 H new ATOM 0 HG23 THR A 64 10.027 10.646 7.608 1.00 54.01 H new ATOM 1025 N ASP A 65 8.456 8.929 6.606 1.00 30.11 N ATOM 1026 CA ASP A 65 8.338 7.621 7.271 1.00 73.01 C ATOM 1027 C ASP A 65 7.739 6.576 6.324 1.00 52.43 C ATOM 1028 O ASP A 65 8.383 5.578 6.024 1.00 43.10 O ATOM 1029 CB ASP A 65 7.466 7.747 8.553 1.00 74.21 C ATOM 1030 CG ASP A 65 7.108 6.383 9.186 1.00 24.21 C ATOM 1031 OD1 ASP A 65 7.959 5.811 9.889 1.00 53.03 O ATOM 1032 OD2 ASP A 65 5.975 5.879 8.967 1.00 73.35 O ATOM 0 H ASP A 65 7.981 9.682 7.104 1.00 30.11 H new ATOM 0 HA ASP A 65 9.338 7.291 7.553 1.00 73.01 H new ATOM 0 HB2 ASP A 65 7.998 8.352 9.287 1.00 74.21 H new ATOM 0 HB3 ASP A 65 6.546 8.278 8.308 1.00 74.21 H new ATOM 1037 N GLY A 66 6.524 6.866 5.832 1.00 61.00 N ATOM 1038 CA GLY A 66 5.771 5.945 4.991 1.00 25.32 C ATOM 1039 C GLY A 66 6.403 5.709 3.629 1.00 73.44 C ATOM 1040 O GLY A 66 6.238 4.625 3.067 1.00 4.23 O ATOM 0 H GLY A 66 6.043 7.748 6.011 1.00 61.00 H new ATOM 0 HA2 GLY A 66 5.675 4.990 5.508 1.00 25.32 H new ATOM 0 HA3 GLY A 66 4.763 6.335 4.852 1.00 25.32 H new ATOM 1044 N ALA A 67 7.106 6.723 3.089 1.00 30.44 N ATOM 1045 CA ALA A 67 7.830 6.598 1.809 1.00 42.15 C ATOM 1046 C ALA A 67 8.971 5.564 1.928 1.00 54.31 C ATOM 1047 O ALA A 67 9.161 4.723 1.041 1.00 33.55 O ATOM 1048 CB ALA A 67 8.373 7.968 1.368 1.00 61.13 C ATOM 0 H ALA A 67 7.188 7.643 3.522 1.00 30.44 H new ATOM 0 HA ALA A 67 7.134 6.244 1.048 1.00 42.15 H new ATOM 0 HB1 ALA A 67 8.905 7.861 0.423 1.00 61.13 H new ATOM 0 HB2 ALA A 67 7.544 8.664 1.242 1.00 61.13 H new ATOM 0 HB3 ALA A 67 9.055 8.350 2.127 1.00 61.13 H new ATOM 1054 N ARG A 68 9.711 5.643 3.049 1.00 3.31 N ATOM 1055 CA ARG A 68 10.815 4.710 3.365 1.00 13.32 C ATOM 1056 C ARG A 68 10.258 3.334 3.798 1.00 34.34 C ATOM 1057 O ARG A 68 10.867 2.301 3.522 1.00 24.41 O ATOM 1058 CB ARG A 68 11.752 5.304 4.471 1.00 22.34 C ATOM 1059 CG ARG A 68 12.817 6.325 3.970 1.00 62.43 C ATOM 1060 CD ARG A 68 12.213 7.548 3.261 1.00 75.45 C ATOM 1061 NE ARG A 68 13.219 8.501 2.778 1.00 23.33 N ATOM 1062 CZ ARG A 68 13.022 9.389 1.783 1.00 12.31 C ATOM 1063 NH1 ARG A 68 11.854 9.455 1.147 1.00 12.21 N ATOM 1064 NH2 ARG A 68 13.987 10.229 1.456 1.00 14.04 N ATOM 0 H ARG A 68 9.562 6.355 3.764 1.00 3.31 H new ATOM 0 HA ARG A 68 11.409 4.570 2.462 1.00 13.32 H new ATOM 0 HB2 ARG A 68 11.133 5.791 5.224 1.00 22.34 H new ATOM 0 HB3 ARG A 68 12.268 4.481 4.966 1.00 22.34 H new ATOM 0 HG2 ARG A 68 13.410 6.664 4.819 1.00 62.43 H new ATOM 0 HG3 ARG A 68 13.499 5.820 3.286 1.00 62.43 H new ATOM 0 HD2 ARG A 68 11.611 7.209 2.418 1.00 75.45 H new ATOM 0 HD3 ARG A 68 11.539 8.060 3.948 1.00 75.45 H new ATOM 0 HE ARG A 68 14.134 8.491 3.228 1.00 23.33 H new ATOM 0 HH11 ARG A 68 11.094 8.828 1.411 1.00 12.21 H new ATOM 0 HH12 ARG A 68 11.720 10.132 0.396 1.00 12.21 H new ATOM 0 HH21 ARG A 68 14.876 10.204 1.955 1.00 14.04 H new ATOM 0 HH22 ARG A 68 13.843 10.903 0.704 1.00 14.04 H new ATOM 1078 N ARG A 69 9.085 3.343 4.452 1.00 3.54 N ATOM 1079 CA ARG A 69 8.439 2.133 5.008 1.00 24.43 C ATOM 1080 C ARG A 69 7.803 1.276 3.897 1.00 13.44 C ATOM 1081 O ARG A 69 7.801 0.040 3.985 1.00 55.01 O ATOM 1082 CB ARG A 69 7.400 2.562 6.081 1.00 51.12 C ATOM 1083 CG ARG A 69 6.445 1.464 6.588 1.00 51.01 C ATOM 1084 CD ARG A 69 5.650 1.913 7.826 1.00 70.12 C ATOM 1085 NE ARG A 69 5.092 3.273 7.697 1.00 2.13 N ATOM 1086 CZ ARG A 69 3.801 3.577 7.495 1.00 21.40 C ATOM 1087 NH1 ARG A 69 2.871 2.623 7.406 1.00 4.34 N ATOM 1088 NH2 ARG A 69 3.445 4.853 7.426 1.00 60.23 N ATOM 0 H ARG A 69 8.550 4.196 4.613 1.00 3.54 H new ATOM 0 HA ARG A 69 9.193 1.505 5.483 1.00 24.43 H new ATOM 0 HB2 ARG A 69 7.940 2.967 6.937 1.00 51.12 H new ATOM 0 HB3 ARG A 69 6.800 3.374 5.670 1.00 51.12 H new ATOM 0 HG2 ARG A 69 5.752 1.192 5.792 1.00 51.01 H new ATOM 0 HG3 ARG A 69 7.019 0.570 6.831 1.00 51.01 H new ATOM 0 HD2 ARG A 69 4.837 1.209 8.003 1.00 70.12 H new ATOM 0 HD3 ARG A 69 6.300 1.875 8.700 1.00 70.12 H new ATOM 0 HE ARG A 69 5.747 4.052 7.768 1.00 2.13 H new ATOM 0 HH11 ARG A 69 3.137 1.642 7.492 1.00 4.34 H new ATOM 0 HH12 ARG A 69 1.895 2.875 7.252 1.00 4.34 H new ATOM 0 HH21 ARG A 69 4.148 5.585 7.526 1.00 60.23 H new ATOM 0 HH22 ARG A 69 2.468 5.102 7.273 1.00 60.23 H new ATOM 1102 N ALA A 70 7.295 1.943 2.848 1.00 40.23 N ATOM 1103 CA ALA A 70 6.768 1.268 1.651 1.00 43.21 C ATOM 1104 C ALA A 70 7.919 0.647 0.848 1.00 4.32 C ATOM 1105 O ALA A 70 7.777 -0.446 0.300 1.00 35.13 O ATOM 1106 CB ALA A 70 5.949 2.244 0.796 1.00 40.24 C ATOM 0 H ALA A 70 7.238 2.961 2.806 1.00 40.23 H new ATOM 0 HA ALA A 70 6.100 0.465 1.962 1.00 43.21 H new ATOM 0 HB1 ALA A 70 5.568 1.726 -0.084 1.00 40.24 H new ATOM 0 HB2 ALA A 70 5.113 2.627 1.381 1.00 40.24 H new ATOM 0 HB3 ALA A 70 6.583 3.073 0.483 1.00 40.24 H new ATOM 1112 N ALA A 71 9.071 1.356 0.830 1.00 45.43 N ATOM 1113 CA ALA A 71 10.311 0.878 0.190 1.00 5.02 C ATOM 1114 C ALA A 71 10.967 -0.252 1.010 1.00 14.30 C ATOM 1115 O ALA A 71 11.667 -1.109 0.457 1.00 21.11 O ATOM 1116 CB ALA A 71 11.283 2.044 -0.008 1.00 33.40 C ATOM 0 H ALA A 71 9.164 2.276 1.260 1.00 45.43 H new ATOM 0 HA ALA A 71 10.055 0.466 -0.786 1.00 5.02 H new ATOM 0 HB1 ALA A 71 12.195 1.681 -0.481 1.00 33.40 H new ATOM 0 HB2 ALA A 71 10.821 2.799 -0.643 1.00 33.40 H new ATOM 0 HB3 ALA A 71 11.526 2.483 0.959 1.00 33.40 H new ATOM 1122 N LYS A 72 10.730 -0.240 2.336 1.00 3.02 N ATOM 1123 CA LYS A 72 11.192 -1.298 3.255 1.00 13.10 C ATOM 1124 C LYS A 72 10.434 -2.606 2.959 1.00 24.33 C ATOM 1125 O LYS A 72 11.047 -3.671 2.800 1.00 53.04 O ATOM 1126 CB LYS A 72 10.979 -0.858 4.736 1.00 2.13 C ATOM 1127 CG LYS A 72 11.361 -1.919 5.806 1.00 1.01 C ATOM 1128 CD LYS A 72 12.848 -2.356 5.735 1.00 41.11 C ATOM 1129 CE LYS A 72 13.826 -1.209 6.048 1.00 34.11 C ATOM 1130 NZ LYS A 72 15.243 -1.629 5.876 1.00 2.34 N ATOM 0 H LYS A 72 10.212 0.505 2.801 1.00 3.02 H new ATOM 0 HA LYS A 72 12.258 -1.468 3.103 1.00 13.10 H new ATOM 0 HB2 LYS A 72 11.564 0.044 4.917 1.00 2.13 H new ATOM 0 HB3 LYS A 72 9.931 -0.591 4.871 1.00 2.13 H new ATOM 0 HG2 LYS A 72 11.155 -1.515 6.797 1.00 1.01 H new ATOM 0 HG3 LYS A 72 10.726 -2.796 5.681 1.00 1.01 H new ATOM 0 HD2 LYS A 72 13.016 -3.172 6.439 1.00 41.11 H new ATOM 0 HD3 LYS A 72 13.060 -2.745 4.739 1.00 41.11 H new ATOM 0 HE2 LYS A 72 13.616 -0.363 5.394 1.00 34.11 H new ATOM 0 HE3 LYS A 72 13.670 -0.867 7.071 1.00 34.11 H new ATOM 0 HZ1 LYS A 72 15.871 -0.830 6.096 1.00 2.34 H new ATOM 0 HZ2 LYS A 72 15.451 -2.420 6.519 1.00 2.34 H new ATOM 0 HZ3 LYS A 72 15.399 -1.931 4.893 1.00 2.34 H new ATOM 1144 N SER A 73 9.093 -2.483 2.853 1.00 62.12 N ATOM 1145 CA SER A 73 8.197 -3.607 2.549 1.00 40.31 C ATOM 1146 C SER A 73 8.434 -4.111 1.109 1.00 21.04 C ATOM 1147 O SER A 73 8.236 -5.298 0.828 1.00 1.24 O ATOM 1148 CB SER A 73 6.727 -3.178 2.752 1.00 43.40 C ATOM 1149 OG SER A 73 5.856 -4.290 2.756 1.00 11.14 O ATOM 0 H SER A 73 8.605 -1.596 2.977 1.00 62.12 H new ATOM 0 HA SER A 73 8.413 -4.429 3.231 1.00 40.31 H new ATOM 0 HB2 SER A 73 6.632 -2.637 3.694 1.00 43.40 H new ATOM 0 HB3 SER A 73 6.435 -2.490 1.959 1.00 43.40 H new ATOM 0 HG SER A 73 5.270 -4.249 1.972 1.00 11.14 H new ATOM 1155 N LEU A 74 8.855 -3.181 0.211 1.00 52.22 N ATOM 1156 CA LEU A 74 9.277 -3.504 -1.166 1.00 13.25 C ATOM 1157 C LEU A 74 10.483 -4.449 -1.179 1.00 43.41 C ATOM 1158 O LEU A 74 10.491 -5.403 -1.949 1.00 71.01 O ATOM 1159 CB LEU A 74 9.586 -2.211 -1.993 1.00 45.41 C ATOM 1160 CG LEU A 74 8.359 -1.571 -2.699 1.00 72.03 C ATOM 1161 CD1 LEU A 74 8.673 -0.192 -3.291 1.00 53.51 C ATOM 1162 CD2 LEU A 74 7.811 -2.517 -3.780 1.00 23.51 C ATOM 0 H LEU A 74 8.909 -2.186 0.429 1.00 52.22 H new ATOM 0 HA LEU A 74 8.440 -4.017 -1.641 1.00 13.25 H new ATOM 0 HB2 LEU A 74 10.030 -1.470 -1.328 1.00 45.41 H new ATOM 0 HB3 LEU A 74 10.335 -2.451 -2.747 1.00 45.41 H new ATOM 0 HG LEU A 74 7.594 -1.418 -1.938 1.00 72.03 H new ATOM 0 HD11 LEU A 74 7.781 0.209 -3.772 1.00 53.51 H new ATOM 0 HD12 LEU A 74 8.990 0.482 -2.495 1.00 53.51 H new ATOM 0 HD13 LEU A 74 9.471 -0.285 -4.027 1.00 53.51 H new ATOM 0 HD21 LEU A 74 6.952 -2.055 -4.266 1.00 23.51 H new ATOM 0 HD22 LEU A 74 8.586 -2.711 -4.521 1.00 23.51 H new ATOM 0 HD23 LEU A 74 7.506 -3.457 -3.320 1.00 23.51 H new ATOM 1174 N SER A 75 11.484 -4.193 -0.314 1.00 72.12 N ATOM 1175 CA SER A 75 12.690 -5.048 -0.217 1.00 40.10 C ATOM 1176 C SER A 75 12.299 -6.477 0.201 1.00 20.24 C ATOM 1177 O SER A 75 12.756 -7.456 -0.404 1.00 42.25 O ATOM 1178 CB SER A 75 13.702 -4.439 0.772 1.00 12.40 C ATOM 1179 OG SER A 75 14.095 -3.143 0.352 1.00 30.24 O ATOM 0 H SER A 75 11.484 -3.401 0.329 1.00 72.12 H new ATOM 0 HA SER A 75 13.165 -5.099 -1.197 1.00 40.10 H new ATOM 0 HB2 SER A 75 13.259 -4.386 1.767 1.00 12.40 H new ATOM 0 HB3 SER A 75 14.578 -5.084 0.847 1.00 12.40 H new ATOM 0 HG SER A 75 13.325 -2.538 0.393 1.00 30.24 H new ATOM 1185 N GLU A 76 11.399 -6.560 1.205 1.00 73.34 N ATOM 1186 CA GLU A 76 10.844 -7.829 1.702 1.00 41.44 C ATOM 1187 C GLU A 76 10.030 -8.546 0.603 1.00 65.04 C ATOM 1188 O GLU A 76 9.992 -9.778 0.545 1.00 31.30 O ATOM 1189 CB GLU A 76 9.969 -7.567 2.959 1.00 12.25 C ATOM 1190 CG GLU A 76 10.704 -6.843 4.111 1.00 52.51 C ATOM 1191 CD GLU A 76 11.985 -7.570 4.577 1.00 14.40 C ATOM 1192 OE1 GLU A 76 11.876 -8.557 5.343 1.00 11.13 O ATOM 1193 OE2 GLU A 76 13.101 -7.161 4.188 1.00 2.51 O ATOM 0 H GLU A 76 11.038 -5.741 1.694 1.00 73.34 H new ATOM 0 HA GLU A 76 11.669 -8.485 1.980 1.00 41.44 H new ATOM 0 HB2 GLU A 76 9.104 -6.972 2.666 1.00 12.25 H new ATOM 0 HB3 GLU A 76 9.591 -8.520 3.328 1.00 12.25 H new ATOM 0 HG2 GLU A 76 10.965 -5.835 3.788 1.00 52.51 H new ATOM 0 HG3 GLU A 76 10.025 -6.741 4.958 1.00 52.51 H new ATOM 1200 N ALA A 77 9.413 -7.745 -0.285 1.00 74.01 N ATOM 1201 CA ALA A 77 8.637 -8.236 -1.427 1.00 31.41 C ATOM 1202 C ALA A 77 9.552 -8.838 -2.514 1.00 22.40 C ATOM 1203 O ALA A 77 9.292 -9.938 -3.014 1.00 64.44 O ATOM 1204 CB ALA A 77 7.783 -7.091 -1.997 1.00 11.43 C ATOM 0 H ALA A 77 9.443 -6.727 -0.224 1.00 74.01 H new ATOM 0 HA ALA A 77 7.980 -9.035 -1.084 1.00 31.41 H new ATOM 0 HB1 ALA A 77 7.206 -7.456 -2.847 1.00 11.43 H new ATOM 0 HB2 ALA A 77 7.104 -6.725 -1.227 1.00 11.43 H new ATOM 0 HB3 ALA A 77 8.433 -6.279 -2.322 1.00 11.43 H new ATOM 1210 N TYR A 78 10.643 -8.120 -2.837 1.00 43.10 N ATOM 1211 CA TYR A 78 11.590 -8.522 -3.894 1.00 54.25 C ATOM 1212 C TYR A 78 12.363 -9.801 -3.511 1.00 52.34 C ATOM 1213 O TYR A 78 12.844 -10.511 -4.395 1.00 53.02 O ATOM 1214 CB TYR A 78 12.562 -7.354 -4.244 1.00 13.32 C ATOM 1215 CG TYR A 78 11.924 -6.214 -5.066 1.00 25.15 C ATOM 1216 CD1 TYR A 78 11.449 -6.445 -6.360 1.00 64.41 C ATOM 1217 CD2 TYR A 78 11.786 -4.918 -4.553 1.00 32.22 C ATOM 1218 CE1 TYR A 78 10.863 -5.433 -7.096 1.00 72.21 C ATOM 1219 CE2 TYR A 78 11.190 -3.908 -5.282 1.00 73.31 C ATOM 1220 CZ TYR A 78 10.731 -4.170 -6.555 1.00 12.52 C ATOM 1221 OH TYR A 78 10.120 -3.172 -7.283 1.00 43.43 O ATOM 0 H TYR A 78 10.893 -7.246 -2.374 1.00 43.10 H new ATOM 0 HA TYR A 78 11.009 -8.754 -4.786 1.00 54.25 H new ATOM 0 HB2 TYR A 78 12.959 -6.939 -3.318 1.00 13.32 H new ATOM 0 HB3 TYR A 78 13.408 -7.757 -4.801 1.00 13.32 H new ATOM 0 HD1 TYR A 78 11.541 -7.431 -6.792 1.00 64.41 H new ATOM 0 HD2 TYR A 78 12.155 -4.703 -3.561 1.00 32.22 H new ATOM 0 HE1 TYR A 78 10.508 -5.631 -8.097 1.00 72.21 H new ATOM 0 HE2 TYR A 78 11.084 -2.920 -4.858 1.00 73.31 H new ATOM 0 HH TYR A 78 10.107 -2.345 -6.758 1.00 43.43 H new ATOM 1231 N GLN A 79 12.476 -10.082 -2.195 1.00 41.42 N ATOM 1232 CA GLN A 79 13.053 -11.349 -1.688 1.00 41.53 C ATOM 1233 C GLN A 79 12.238 -12.561 -2.181 1.00 50.12 C ATOM 1234 O GLN A 79 12.793 -13.607 -2.546 1.00 60.43 O ATOM 1235 CB GLN A 79 13.087 -11.350 -0.133 1.00 42.34 C ATOM 1236 CG GLN A 79 13.968 -10.248 0.491 1.00 61.21 C ATOM 1237 CD GLN A 79 13.874 -10.175 2.019 1.00 12.25 C ATOM 1238 OE1 GLN A 79 12.853 -10.529 2.616 1.00 14.11 O ATOM 1239 NE2 GLN A 79 14.922 -9.692 2.670 1.00 41.03 N ATOM 0 H GLN A 79 12.173 -9.444 -1.459 1.00 41.42 H new ATOM 0 HA GLN A 79 14.070 -11.426 -2.071 1.00 41.53 H new ATOM 0 HB2 GLN A 79 12.069 -11.237 0.240 1.00 42.34 H new ATOM 0 HB3 GLN A 79 13.446 -12.321 0.209 1.00 42.34 H new ATOM 0 HG2 GLN A 79 15.006 -10.421 0.208 1.00 61.21 H new ATOM 0 HG3 GLN A 79 13.680 -9.284 0.072 1.00 61.21 H new ATOM 0 HE21 GLN A 79 15.755 -9.406 2.155 1.00 41.03 H new ATOM 0 HE22 GLN A 79 14.896 -9.606 3.686 1.00 41.03 H new ATOM 1248 N LYS A 80 10.913 -12.380 -2.204 1.00 1.10 N ATOM 1249 CA LYS A 80 9.948 -13.448 -2.513 1.00 71.43 C ATOM 1250 C LYS A 80 9.833 -13.660 -4.035 1.00 43.53 C ATOM 1251 O LYS A 80 9.621 -14.786 -4.503 1.00 22.11 O ATOM 1252 CB LYS A 80 8.572 -13.086 -1.888 1.00 64.41 C ATOM 1253 CG LYS A 80 8.672 -12.655 -0.405 1.00 33.31 C ATOM 1254 CD LYS A 80 7.309 -12.302 0.232 1.00 14.03 C ATOM 1255 CE LYS A 80 7.458 -11.649 1.621 1.00 50.22 C ATOM 1256 NZ LYS A 80 8.348 -12.424 2.522 1.00 54.41 N ATOM 0 H LYS A 80 10.473 -11.481 -2.007 1.00 1.10 H new ATOM 0 HA LYS A 80 10.296 -14.387 -2.083 1.00 71.43 H new ATOM 0 HB2 LYS A 80 8.119 -12.279 -2.465 1.00 64.41 H new ATOM 0 HB3 LYS A 80 7.907 -13.946 -1.966 1.00 64.41 H new ATOM 0 HG2 LYS A 80 9.133 -13.459 0.168 1.00 33.31 H new ATOM 0 HG3 LYS A 80 9.333 -11.791 -0.331 1.00 33.31 H new ATOM 0 HD2 LYS A 80 6.768 -11.624 -0.428 1.00 14.03 H new ATOM 0 HD3 LYS A 80 6.708 -13.207 0.322 1.00 14.03 H new ATOM 0 HE2 LYS A 80 7.854 -10.640 1.504 1.00 50.22 H new ATOM 0 HE3 LYS A 80 6.475 -11.554 2.081 1.00 50.22 H new ATOM 0 HZ1 LYS A 80 8.283 -12.042 3.487 1.00 54.41 H new ATOM 0 HZ2 LYS A 80 8.056 -13.422 2.524 1.00 54.41 H new ATOM 0 HZ3 LYS A 80 9.330 -12.351 2.187 1.00 54.41 H new ATOM 1270 N VAL A 81 9.995 -12.563 -4.793 1.00 61.44 N ATOM 1271 CA VAL A 81 9.882 -12.559 -6.264 1.00 3.01 C ATOM 1272 C VAL A 81 11.170 -13.106 -6.913 1.00 2.44 C ATOM 1273 O VAL A 81 11.131 -14.119 -7.623 1.00 15.11 O ATOM 1274 CB VAL A 81 9.585 -11.106 -6.799 1.00 31.05 C ATOM 1275 CG1 VAL A 81 9.577 -11.041 -8.353 1.00 35.35 C ATOM 1276 CG2 VAL A 81 8.249 -10.587 -6.224 1.00 1.33 C ATOM 0 H VAL A 81 10.210 -11.646 -4.401 1.00 61.44 H new ATOM 0 HA VAL A 81 9.050 -13.208 -6.537 1.00 3.01 H new ATOM 0 HB VAL A 81 10.394 -10.461 -6.458 1.00 31.05 H new ATOM 0 HG11 VAL A 81 9.368 -10.020 -8.673 1.00 35.35 H new ATOM 0 HG12 VAL A 81 10.550 -11.349 -8.735 1.00 35.35 H new ATOM 0 HG13 VAL A 81 8.807 -11.708 -8.741 1.00 35.35 H new ATOM 0 HG21 VAL A 81 8.056 -9.583 -6.601 1.00 1.33 H new ATOM 0 HG22 VAL A 81 7.440 -11.251 -6.528 1.00 1.33 H new ATOM 0 HG23 VAL A 81 8.307 -10.561 -5.136 1.00 1.33 H new ATOM 1286 N GLU A 82 12.308 -12.430 -6.636 1.00 75.42 N ATOM 1287 CA GLU A 82 13.615 -12.767 -7.242 1.00 13.22 C ATOM 1288 C GLU A 82 14.106 -14.136 -6.743 1.00 62.03 C ATOM 1289 O GLU A 82 13.921 -14.470 -5.564 1.00 30.30 O ATOM 1290 CB GLU A 82 14.670 -11.684 -6.902 1.00 71.42 C ATOM 1291 CG GLU A 82 14.284 -10.256 -7.332 1.00 51.11 C ATOM 1292 CD GLU A 82 15.335 -9.216 -6.907 1.00 54.14 C ATOM 1293 OE1 GLU A 82 15.312 -8.778 -5.732 1.00 51.23 O ATOM 1294 OE2 GLU A 82 16.212 -8.863 -7.725 1.00 61.42 O ATOM 0 H GLU A 82 12.346 -11.641 -5.991 1.00 75.42 H new ATOM 0 HA GLU A 82 13.483 -12.808 -8.323 1.00 13.22 H new ATOM 0 HB2 GLU A 82 14.845 -11.691 -5.826 1.00 71.42 H new ATOM 0 HB3 GLU A 82 15.613 -11.951 -7.380 1.00 71.42 H new ATOM 0 HG2 GLU A 82 14.162 -10.225 -8.415 1.00 51.11 H new ATOM 0 HG3 GLU A 82 13.320 -9.995 -6.895 1.00 51.11 H new ATOM 1301 N GLY A 83 14.732 -14.911 -7.646 1.00 13.14 N ATOM 1302 CA GLY A 83 15.306 -16.213 -7.305 1.00 32.42 C ATOM 1303 C GLY A 83 16.672 -16.078 -6.648 1.00 53.21 C ATOM 1304 O GLY A 83 17.691 -16.476 -7.228 1.00 75.42 O ATOM 0 H GLY A 83 14.851 -14.650 -8.625 1.00 13.14 H new ATOM 0 HA2 GLY A 83 14.631 -16.742 -6.633 1.00 32.42 H new ATOM 0 HA3 GLY A 83 15.396 -16.818 -8.208 1.00 32.42 H new ATOM 1308 N SER A 84 16.692 -15.478 -5.444 1.00 71.24 N ATOM 1309 CA SER A 84 17.906 -15.314 -4.638 1.00 71.41 C ATOM 1310 C SER A 84 18.151 -16.622 -3.856 1.00 44.22 C ATOM 1311 O SER A 84 17.534 -16.860 -2.807 1.00 44.02 O ATOM 1312 CB SER A 84 17.735 -14.098 -3.690 1.00 63.31 C ATOM 1313 OG SER A 84 17.353 -12.936 -4.412 1.00 44.43 O ATOM 0 H SER A 84 15.857 -15.092 -5.003 1.00 71.24 H new ATOM 0 HA SER A 84 18.773 -15.119 -5.270 1.00 71.41 H new ATOM 0 HB2 SER A 84 16.982 -14.325 -2.935 1.00 63.31 H new ATOM 0 HB3 SER A 84 18.670 -13.911 -3.162 1.00 63.31 H new ATOM 0 HG SER A 84 17.250 -12.184 -3.792 1.00 44.43 H new ATOM 1319 N GLY A 85 19.025 -17.486 -4.407 1.00 23.13 N ATOM 1320 CA GLY A 85 19.231 -18.843 -3.893 1.00 24.11 C ATOM 1321 C GLY A 85 18.177 -19.816 -4.424 1.00 4.03 C ATOM 1322 O GLY A 85 17.085 -19.388 -4.838 1.00 40.34 O ATOM 0 H GLY A 85 19.603 -17.259 -5.217 1.00 23.13 H new ATOM 0 HA2 GLY A 85 20.224 -19.192 -4.176 1.00 24.11 H new ATOM 0 HA3 GLY A 85 19.197 -18.828 -2.804 1.00 24.11 H new ATOM 1326 N ASP A 86 18.504 -21.119 -4.435 1.00 3.52 N ATOM 1327 CA ASP A 86 17.560 -22.176 -4.856 1.00 23.31 C ATOM 1328 C ASP A 86 16.404 -22.274 -3.835 1.00 1.21 C ATOM 1329 O ASP A 86 16.617 -22.618 -2.670 1.00 3.25 O ATOM 1330 CB ASP A 86 18.288 -23.547 -5.017 1.00 0.52 C ATOM 1331 CG ASP A 86 17.338 -24.729 -5.330 1.00 11.15 C ATOM 1332 OD1 ASP A 86 16.578 -24.649 -6.321 1.00 22.25 O ATOM 1333 OD2 ASP A 86 17.361 -25.748 -4.598 1.00 63.45 O ATOM 0 H ASP A 86 19.420 -21.470 -4.156 1.00 3.52 H new ATOM 0 HA ASP A 86 17.147 -21.914 -5.830 1.00 23.31 H new ATOM 0 HB2 ASP A 86 19.025 -23.464 -5.816 1.00 0.52 H new ATOM 0 HB3 ASP A 86 18.835 -23.766 -4.100 1.00 0.52 H new ATOM 1338 N LYS A 87 15.202 -21.882 -4.274 1.00 33.14 N ATOM 1339 CA LYS A 87 13.966 -21.957 -3.470 1.00 11.11 C ATOM 1340 C LYS A 87 13.014 -22.964 -4.117 1.00 21.33 C ATOM 1341 O LYS A 87 12.755 -22.882 -5.326 1.00 23.14 O ATOM 1342 CB LYS A 87 13.300 -20.556 -3.378 1.00 64.41 C ATOM 1343 CG LYS A 87 14.180 -19.481 -2.691 1.00 13.21 C ATOM 1344 CD LYS A 87 13.492 -18.099 -2.614 1.00 23.30 C ATOM 1345 CE LYS A 87 13.310 -17.438 -3.994 1.00 72.04 C ATOM 1346 NZ LYS A 87 12.527 -16.174 -3.899 1.00 4.14 N ATOM 0 H LYS A 87 15.054 -21.499 -5.208 1.00 33.14 H new ATOM 0 HA LYS A 87 14.204 -22.284 -2.458 1.00 11.11 H new ATOM 0 HB2 LYS A 87 13.050 -20.217 -4.384 1.00 64.41 H new ATOM 0 HB3 LYS A 87 12.362 -20.647 -2.830 1.00 64.41 H new ATOM 0 HG2 LYS A 87 14.430 -19.813 -1.683 1.00 13.21 H new ATOM 0 HG3 LYS A 87 15.118 -19.384 -3.237 1.00 13.21 H new ATOM 0 HD2 LYS A 87 12.517 -18.211 -2.140 1.00 23.30 H new ATOM 0 HD3 LYS A 87 14.083 -17.440 -1.977 1.00 23.30 H new ATOM 0 HE2 LYS A 87 14.287 -17.229 -4.430 1.00 72.04 H new ATOM 0 HE3 LYS A 87 12.803 -18.131 -4.666 1.00 72.04 H new ATOM 0 HZ1 LYS A 87 12.793 -15.541 -4.681 1.00 4.14 H new ATOM 0 HZ2 LYS A 87 11.511 -16.390 -3.958 1.00 4.14 H new ATOM 0 HZ3 LYS A 87 12.730 -15.707 -2.992 1.00 4.14 H new ATOM 1360 N GLY A 88 12.494 -23.909 -3.322 1.00 12.22 N ATOM 1361 CA GLY A 88 11.612 -24.961 -3.826 1.00 4.54 C ATOM 1362 C GLY A 88 10.157 -24.529 -3.875 1.00 2.34 C ATOM 1363 O GLY A 88 9.300 -25.159 -3.240 1.00 74.31 O ATOM 0 H GLY A 88 12.673 -23.963 -2.319 1.00 12.22 H new ATOM 0 HA2 GLY A 88 11.935 -25.253 -4.826 1.00 4.54 H new ATOM 0 HA3 GLY A 88 11.704 -25.842 -3.191 1.00 4.54 H new ATOM 1367 N LYS A 89 9.878 -23.442 -4.629 1.00 15.40 N ATOM 1368 CA LYS A 89 8.518 -22.909 -4.783 1.00 41.13 C ATOM 1369 C LYS A 89 7.682 -23.896 -5.621 1.00 5.53 C ATOM 1370 O LYS A 89 7.845 -24.013 -6.837 1.00 4.34 O ATOM 1371 CB LYS A 89 8.532 -21.493 -5.415 1.00 22.34 C ATOM 1372 CG LYS A 89 7.139 -20.819 -5.464 1.00 51.31 C ATOM 1373 CD LYS A 89 7.191 -19.357 -5.970 1.00 13.44 C ATOM 1374 CE LYS A 89 5.799 -18.708 -6.018 1.00 52.22 C ATOM 1375 NZ LYS A 89 5.854 -17.291 -6.466 1.00 10.40 N ATOM 0 H LYS A 89 10.587 -22.918 -5.141 1.00 15.40 H new ATOM 0 HA LYS A 89 8.062 -22.804 -3.799 1.00 41.13 H new ATOM 0 HB2 LYS A 89 9.213 -20.858 -4.848 1.00 22.34 H new ATOM 0 HB3 LYS A 89 8.929 -21.561 -6.428 1.00 22.34 H new ATOM 0 HG2 LYS A 89 6.484 -21.399 -6.114 1.00 51.31 H new ATOM 0 HG3 LYS A 89 6.698 -20.837 -4.468 1.00 51.31 H new ATOM 0 HD2 LYS A 89 7.840 -18.772 -5.318 1.00 13.44 H new ATOM 0 HD3 LYS A 89 7.635 -19.335 -6.965 1.00 13.44 H new ATOM 0 HE2 LYS A 89 5.159 -19.276 -6.693 1.00 52.22 H new ATOM 0 HE3 LYS A 89 5.343 -18.757 -5.029 1.00 52.22 H new ATOM 0 HZ1 LYS A 89 4.893 -16.895 -6.483 1.00 10.40 H new ATOM 0 HZ2 LYS A 89 6.443 -16.742 -5.808 1.00 10.40 H new ATOM 0 HZ3 LYS A 89 6.265 -17.244 -7.420 1.00 10.40 H new ATOM 1389 N ILE A 90 6.815 -24.618 -4.923 1.00 15.31 N ATOM 1390 CA ILE A 90 6.054 -25.747 -5.460 1.00 71.44 C ATOM 1391 C ILE A 90 4.811 -25.262 -6.251 1.00 54.01 C ATOM 1392 O ILE A 90 3.966 -24.529 -5.728 1.00 54.13 O ATOM 1393 CB ILE A 90 5.670 -26.746 -4.289 1.00 40.04 C ATOM 1394 CG1 ILE A 90 5.023 -25.984 -3.079 1.00 63.12 C ATOM 1395 CG2 ILE A 90 6.907 -27.570 -3.842 1.00 63.31 C ATOM 1396 CD1 ILE A 90 4.720 -26.827 -1.847 1.00 32.30 C ATOM 0 H ILE A 90 6.614 -24.432 -3.940 1.00 15.31 H new ATOM 0 HA ILE A 90 6.679 -26.289 -6.170 1.00 71.44 H new ATOM 0 HB ILE A 90 4.923 -27.442 -4.671 1.00 40.04 H new ATOM 0 HG12 ILE A 90 5.691 -25.174 -2.786 1.00 63.12 H new ATOM 0 HG13 ILE A 90 4.095 -25.525 -3.418 1.00 63.12 H new ATOM 0 HG21 ILE A 90 6.621 -28.249 -3.038 1.00 63.31 H new ATOM 0 HG22 ILE A 90 7.285 -28.147 -4.686 1.00 63.31 H new ATOM 0 HG23 ILE A 90 7.685 -26.894 -3.487 1.00 63.31 H new ATOM 0 HD11 ILE A 90 4.276 -26.198 -1.076 1.00 32.30 H new ATOM 0 HD12 ILE A 90 4.023 -27.622 -2.112 1.00 32.30 H new ATOM 0 HD13 ILE A 90 5.644 -27.266 -1.470 1.00 32.30 H new ATOM 1408 N PHE A 91 4.761 -25.639 -7.539 1.00 1.00 N ATOM 1409 CA PHE A 91 3.636 -25.348 -8.461 1.00 1.54 C ATOM 1410 C PHE A 91 2.885 -26.651 -8.789 1.00 40.13 C ATOM 1411 O PHE A 91 3.531 -27.672 -9.053 1.00 42.42 O ATOM 1412 CB PHE A 91 4.166 -24.723 -9.773 1.00 22.41 C ATOM 1413 CG PHE A 91 4.921 -23.414 -9.580 1.00 72.22 C ATOM 1414 CD1 PHE A 91 4.230 -22.224 -9.363 1.00 71.24 C ATOM 1415 CD2 PHE A 91 6.318 -23.371 -9.596 1.00 24.02 C ATOM 1416 CE1 PHE A 91 4.907 -21.038 -9.176 1.00 24.44 C ATOM 1417 CE2 PHE A 91 6.994 -22.182 -9.407 1.00 23.02 C ATOM 1418 CZ PHE A 91 6.287 -21.016 -9.196 1.00 75.51 C ATOM 0 H PHE A 91 5.513 -26.165 -7.983 1.00 1.00 H new ATOM 0 HA PHE A 91 2.960 -24.644 -7.976 1.00 1.54 H new ATOM 0 HB2 PHE A 91 4.824 -25.440 -10.264 1.00 22.41 H new ATOM 0 HB3 PHE A 91 3.326 -24.549 -10.445 1.00 22.41 H new ATOM 0 HD1 PHE A 91 3.150 -22.231 -9.341 1.00 71.24 H new ATOM 0 HD2 PHE A 91 6.877 -24.281 -9.759 1.00 24.02 H new ATOM 0 HE1 PHE A 91 4.356 -20.123 -9.013 1.00 24.44 H new ATOM 0 HE2 PHE A 91 8.074 -22.165 -9.424 1.00 23.02 H new ATOM 0 HZ PHE A 91 6.814 -20.085 -9.046 1.00 75.51 H new ATOM 1428 N GLN A 92 1.531 -26.596 -8.759 1.00 25.33 N ATOM 1429 CA GLN A 92 0.619 -27.747 -9.057 1.00 31.31 C ATOM 1430 C GLN A 92 0.883 -28.944 -8.097 1.00 43.31 C ATOM 1431 O GLN A 92 0.531 -30.098 -8.362 1.00 10.31 O ATOM 1432 CB GLN A 92 0.716 -28.154 -10.564 1.00 15.33 C ATOM 1433 CG GLN A 92 -0.440 -29.055 -11.064 1.00 33.13 C ATOM 1434 CD GLN A 92 -0.378 -29.327 -12.568 1.00 60.15 C ATOM 1435 OE1 GLN A 92 0.258 -30.280 -13.021 1.00 15.21 O ATOM 1436 NE2 GLN A 92 -1.055 -28.505 -13.356 1.00 21.23 N ATOM 0 H GLN A 92 1.026 -25.741 -8.524 1.00 25.33 H new ATOM 0 HA GLN A 92 -0.408 -27.428 -8.876 1.00 31.31 H new ATOM 0 HB2 GLN A 92 0.742 -27.249 -11.170 1.00 15.33 H new ATOM 0 HB3 GLN A 92 1.660 -28.673 -10.726 1.00 15.33 H new ATOM 0 HG2 GLN A 92 -0.412 -30.003 -10.527 1.00 33.13 H new ATOM 0 HG3 GLN A 92 -1.392 -28.581 -10.825 1.00 33.13 H new ATOM 0 HE21 GLN A 92 -1.573 -27.724 -12.954 1.00 21.23 H new ATOM 0 HE22 GLN A 92 -1.058 -28.653 -14.365 1.00 21.23 H new ATOM 1445 N LYS A 93 1.485 -28.616 -6.955 1.00 63.12 N ATOM 1446 CA LYS A 93 1.885 -29.554 -5.916 1.00 44.13 C ATOM 1447 C LYS A 93 1.937 -28.757 -4.615 1.00 43.20 C ATOM 1448 O LYS A 93 2.762 -27.858 -4.486 1.00 3.53 O ATOM 1449 CB LYS A 93 3.286 -30.165 -6.232 1.00 24.10 C ATOM 1450 CG LYS A 93 3.807 -31.167 -5.164 1.00 55.41 C ATOM 1451 CD LYS A 93 5.326 -31.468 -5.256 1.00 12.51 C ATOM 1452 CE LYS A 93 5.755 -32.291 -6.494 1.00 13.30 C ATOM 1453 NZ LYS A 93 5.687 -31.522 -7.765 1.00 65.22 N ATOM 0 H LYS A 93 1.715 -27.650 -6.722 1.00 63.12 H new ATOM 0 HA LYS A 93 1.182 -30.384 -5.848 1.00 44.13 H new ATOM 0 HB2 LYS A 93 3.238 -30.672 -7.195 1.00 24.10 H new ATOM 0 HB3 LYS A 93 4.007 -29.354 -6.334 1.00 24.10 H new ATOM 0 HG2 LYS A 93 3.587 -30.770 -4.173 1.00 55.41 H new ATOM 0 HG3 LYS A 93 3.257 -32.103 -5.262 1.00 55.41 H new ATOM 0 HD2 LYS A 93 5.869 -30.523 -5.261 1.00 12.51 H new ATOM 0 HD3 LYS A 93 5.630 -32.006 -4.358 1.00 12.51 H new ATOM 0 HE2 LYS A 93 6.774 -32.649 -6.348 1.00 13.30 H new ATOM 0 HE3 LYS A 93 5.117 -33.171 -6.575 1.00 13.30 H new ATOM 0 HZ1 LYS A 93 6.490 -31.783 -8.372 1.00 65.22 H new ATOM 0 HZ2 LYS A 93 4.797 -31.741 -8.256 1.00 65.22 H new ATOM 0 HZ3 LYS A 93 5.726 -30.504 -7.557 1.00 65.22 H new ATOM 1467 N GLU A 94 1.013 -29.031 -3.693 1.00 4.44 N ATOM 1468 CA GLU A 94 1.007 -28.405 -2.357 1.00 0.13 C ATOM 1469 C GLU A 94 1.978 -29.130 -1.409 1.00 2.25 C ATOM 1470 O GLU A 94 2.283 -28.622 -0.323 1.00 70.02 O ATOM 1471 CB GLU A 94 -0.433 -28.384 -1.794 1.00 60.51 C ATOM 1472 CG GLU A 94 -1.410 -27.543 -2.645 1.00 71.42 C ATOM 1473 CD GLU A 94 -2.859 -27.620 -2.153 1.00 44.52 C ATOM 1474 OE1 GLU A 94 -3.471 -28.703 -2.276 1.00 42.23 O ATOM 1475 OE2 GLU A 94 -3.399 -26.604 -1.659 1.00 11.32 O ATOM 0 H GLU A 94 0.248 -29.689 -3.844 1.00 4.44 H new ATOM 0 HA GLU A 94 1.353 -27.375 -2.444 1.00 0.13 H new ATOM 0 HB2 GLU A 94 -0.805 -29.406 -1.730 1.00 60.51 H new ATOM 0 HB3 GLU A 94 -0.413 -27.988 -0.779 1.00 60.51 H new ATOM 0 HG2 GLU A 94 -1.085 -26.503 -2.637 1.00 71.42 H new ATOM 0 HG3 GLU A 94 -1.366 -27.883 -3.680 1.00 71.42 H new ATOM 1482 N GLY A 95 2.458 -30.316 -1.837 1.00 22.24 N ATOM 1483 CA GLY A 95 3.490 -31.059 -1.118 1.00 72.25 C ATOM 1484 C GLY A 95 2.921 -31.918 0.002 1.00 31.15 C ATOM 1485 O GLY A 95 1.995 -31.499 0.712 1.00 42.41 O ATOM 0 H GLY A 95 2.136 -30.776 -2.689 1.00 22.24 H new ATOM 0 HA2 GLY A 95 4.030 -31.695 -1.820 1.00 72.25 H new ATOM 0 HA3 GLY A 95 4.213 -30.358 -0.701 1.00 72.25 H new ATOM 1489 N GLU A 96 3.464 -33.134 0.152 1.00 10.02 N ATOM 1490 CA GLU A 96 3.162 -34.005 1.295 1.00 44.12 C ATOM 1491 C GLU A 96 3.834 -33.411 2.546 1.00 24.42 C ATOM 1492 O GLU A 96 5.050 -33.168 2.529 1.00 73.24 O ATOM 1493 CB GLU A 96 3.667 -35.447 1.014 1.00 63.52 C ATOM 1494 CG GLU A 96 3.394 -36.457 2.152 1.00 73.44 C ATOM 1495 CD GLU A 96 3.969 -37.848 1.861 1.00 60.52 C ATOM 1496 OE1 GLU A 96 5.159 -38.075 2.155 1.00 64.34 O ATOM 1497 OE2 GLU A 96 3.246 -38.714 1.326 1.00 53.14 O ATOM 0 H GLU A 96 4.122 -33.540 -0.513 1.00 10.02 H new ATOM 0 HA GLU A 96 2.086 -34.062 1.458 1.00 44.12 H new ATOM 0 HB2 GLU A 96 3.196 -35.812 0.101 1.00 63.52 H new ATOM 0 HB3 GLU A 96 4.740 -35.412 0.826 1.00 63.52 H new ATOM 0 HG2 GLU A 96 3.824 -36.078 3.079 1.00 73.44 H new ATOM 0 HG3 GLU A 96 2.318 -36.539 2.309 1.00 73.44 H new ATOM 1504 N SER A 97 3.033 -33.143 3.594 1.00 1.41 N ATOM 1505 CA SER A 97 3.503 -32.490 4.830 1.00 63.34 C ATOM 1506 C SER A 97 4.540 -33.372 5.564 1.00 43.13 C ATOM 1507 O SER A 97 4.189 -34.288 6.311 1.00 5.03 O ATOM 1508 CB SER A 97 2.299 -32.161 5.754 1.00 25.24 C ATOM 1509 OG SER A 97 1.347 -31.343 5.091 1.00 4.43 O ATOM 0 H SER A 97 2.040 -33.374 3.607 1.00 1.41 H new ATOM 0 HA SER A 97 3.997 -31.556 4.560 1.00 63.34 H new ATOM 0 HB2 SER A 97 1.823 -33.087 6.078 1.00 25.24 H new ATOM 0 HB3 SER A 97 2.655 -31.654 6.651 1.00 25.24 H new ATOM 0 HG SER A 97 0.600 -31.154 5.697 1.00 4.43 H new ATOM 1515 N ILE A 98 5.821 -33.114 5.281 1.00 61.10 N ATOM 1516 CA ILE A 98 6.963 -33.799 5.928 1.00 61.23 C ATOM 1517 C ILE A 98 7.847 -32.762 6.637 1.00 33.50 C ATOM 1518 O ILE A 98 7.787 -31.571 6.298 1.00 2.35 O ATOM 1519 CB ILE A 98 7.814 -34.628 4.885 1.00 0.34 C ATOM 1520 CG1 ILE A 98 8.348 -33.719 3.722 1.00 65.23 C ATOM 1521 CG2 ILE A 98 6.994 -35.821 4.336 1.00 73.04 C ATOM 1522 CD1 ILE A 98 9.321 -34.406 2.768 1.00 14.42 C ATOM 0 H ILE A 98 6.105 -32.419 4.591 1.00 61.10 H new ATOM 0 HA ILE A 98 6.569 -34.505 6.659 1.00 61.23 H new ATOM 0 HB ILE A 98 8.685 -35.026 5.406 1.00 0.34 H new ATOM 0 HG12 ILE A 98 7.498 -33.350 3.148 1.00 65.23 H new ATOM 0 HG13 ILE A 98 8.840 -32.849 4.157 1.00 65.23 H new ATOM 0 HG21 ILE A 98 7.598 -36.379 3.620 1.00 73.04 H new ATOM 0 HG22 ILE A 98 6.710 -36.477 5.159 1.00 73.04 H new ATOM 0 HG23 ILE A 98 6.096 -35.449 3.842 1.00 73.04 H new ATOM 0 HD11 ILE A 98 9.635 -33.701 1.999 1.00 14.42 H new ATOM 0 HD12 ILE A 98 10.194 -34.750 3.323 1.00 14.42 H new ATOM 0 HD13 ILE A 98 8.830 -35.259 2.299 1.00 14.42 H new ATOM 1534 N LEU A 99 8.662 -33.237 7.615 1.00 4.12 N ATOM 1535 CA LEU A 99 9.559 -32.393 8.444 1.00 73.32 C ATOM 1536 C LEU A 99 8.728 -31.441 9.327 1.00 45.51 C ATOM 1537 O LEU A 99 8.359 -30.341 8.897 1.00 13.25 O ATOM 1538 CB LEU A 99 10.619 -31.605 7.590 1.00 44.12 C ATOM 1539 CG LEU A 99 11.837 -32.422 7.019 1.00 62.04 C ATOM 1540 CD1 LEU A 99 11.399 -33.552 6.066 1.00 10.43 C ATOM 1541 CD2 LEU A 99 12.851 -31.480 6.333 1.00 52.13 C ATOM 0 H LEU A 99 8.714 -34.228 7.852 1.00 4.12 H new ATOM 0 HA LEU A 99 10.130 -33.062 9.087 1.00 73.32 H new ATOM 0 HB2 LEU A 99 10.100 -31.143 6.751 1.00 44.12 H new ATOM 0 HB3 LEU A 99 11.014 -30.796 8.205 1.00 44.12 H new ATOM 0 HG LEU A 99 12.324 -32.902 7.868 1.00 62.04 H new ATOM 0 HD11 LEU A 99 12.279 -34.083 5.702 1.00 10.43 H new ATOM 0 HD12 LEU A 99 10.751 -34.247 6.600 1.00 10.43 H new ATOM 0 HD13 LEU A 99 10.857 -33.126 5.222 1.00 10.43 H new ATOM 0 HD21 LEU A 99 13.685 -32.064 5.945 1.00 52.13 H new ATOM 0 HD22 LEU A 99 12.362 -30.955 5.512 1.00 52.13 H new ATOM 0 HD23 LEU A 99 13.222 -30.755 7.057 1.00 52.13 H new ATOM 1553 N GLU A 100 8.401 -31.899 10.548 1.00 41.24 N ATOM 1554 CA GLU A 100 7.591 -31.133 11.516 1.00 72.35 C ATOM 1555 C GLU A 100 8.441 -29.968 12.090 1.00 21.30 C ATOM 1556 O GLU A 100 8.219 -28.805 11.690 1.00 42.23 O ATOM 1557 CB GLU A 100 7.073 -32.088 12.642 1.00 22.34 C ATOM 1558 CG GLU A 100 5.810 -31.612 13.415 1.00 61.14 C ATOM 1559 CD GLU A 100 5.998 -30.338 14.270 1.00 5.31 C ATOM 1560 OE1 GLU A 100 6.581 -30.430 15.374 1.00 14.31 O ATOM 1561 OE2 GLU A 100 5.568 -29.242 13.839 1.00 32.33 O ATOM 1562 OXT GLU A 100 9.346 -30.232 12.917 1.00 37.50 O ATOM 0 H GLU A 100 8.691 -32.814 10.894 1.00 41.24 H new ATOM 0 HA GLU A 100 6.720 -30.702 11.022 1.00 72.35 H new ATOM 0 HB2 GLU A 100 6.857 -33.059 12.196 1.00 22.34 H new ATOM 0 HB3 GLU A 100 7.878 -32.240 13.361 1.00 22.34 H new ATOM 0 HG2 GLU A 100 5.011 -31.432 12.696 1.00 61.14 H new ATOM 0 HG3 GLU A 100 5.477 -32.420 14.066 1.00 61.14 H new TER 1569 GLU A 100