USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 724 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 ASN : amide:sc= -0.965 K(o=-0.97,f=-6!) USER MOD Set 1.2: A 48 GLN : amide:sc= -0.0084 X(o=-0.97,f=-0.96) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.499 USER MOD Single : A 10 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.2!) USER MOD Single : A 11 ASN : amide:sc= -2.88 K(o=-2.9,f=-7.1!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -1.8 (180deg=-2.14) USER MOD Single : A 22 THR OG1 : rot 156:sc= -1.29 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 58:sc= 0.348 USER MOD Single : A 31 SER OG : rot 3:sc= 0.379 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= -0.182 (180deg=-1.46!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 132:sc= -0.924 (180deg=-1.94!) USER MOD Single : A 44 ASN : amide:sc= -0.0944 K(o=-0.094,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 57 GLN : amide:sc= -0.0618 K(o=-0.062,f=-1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -89:sc= -0.0603 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0.0182 (180deg=-0.228!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.205 K(o=-0.2,f=-0.98) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 139:sc= -3.21 (180deg=-7.51!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 83 LYS NZ :NH3+ -157:sc= 0.327 (180deg=0.172) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= -0.0058 (180deg=-0.0058) USER MOD Single : A 89 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 -11.658 -13.117 -6.098 1.00 0.00 N ATOM 19 CA ASP A 2 -12.787 -12.819 -5.233 1.00 0.00 C ATOM 20 C ASP A 2 -12.273 -12.263 -3.903 1.00 0.00 C ATOM 21 O ASP A 2 -11.394 -12.853 -3.277 1.00 0.00 O ATOM 22 CB ASP A 2 -13.599 -14.082 -4.935 1.00 0.00 C ATOM 23 CG ASP A 2 -14.378 -14.053 -3.619 1.00 0.00 C ATOM 24 OD1 ASP A 2 -15.501 -13.529 -3.553 1.00 0.00 O ATOM 25 OD2 ASP A 2 -13.780 -14.605 -2.619 1.00 0.00 O ATOM 0 HA ASP A 2 -13.421 -12.093 -5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.301 -14.246 -5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.922 -14.936 -4.921 1.00 0.00 H new ATOM 31 N ILE A 3 -12.843 -11.133 -3.512 1.00 0.00 N ATOM 32 CA ILE A 3 -12.454 -10.490 -2.269 1.00 0.00 C ATOM 33 C ILE A 3 -13.594 -10.617 -1.255 1.00 0.00 C ATOM 34 O ILE A 3 -14.765 -10.522 -1.617 1.00 0.00 O ATOM 35 CB ILE A 3 -12.019 -9.046 -2.526 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.507 -8.959 -2.740 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.493 -8.122 -1.402 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.095 -7.550 -3.171 1.00 0.00 C ATOM 0 H ILE A 3 -13.571 -10.646 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.586 -10.989 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.495 -8.705 -3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.990 -9.227 -1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.201 -9.679 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.171 -7.102 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.581 -8.153 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.066 -8.452 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.015 -7.515 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.595 -7.294 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.380 -6.835 -2.399 1.00 0.00 H new ATOM 50 N SER A 4 -13.210 -10.832 -0.006 1.00 0.00 N ATOM 51 CA SER A 4 -14.184 -10.974 1.063 1.00 0.00 C ATOM 52 C SER A 4 -13.775 -10.116 2.262 1.00 0.00 C ATOM 53 O SER A 4 -12.644 -10.205 2.736 1.00 0.00 O ATOM 54 CB SER A 4 -14.331 -12.438 1.484 1.00 0.00 C ATOM 55 OG SER A 4 -15.697 -12.829 1.587 1.00 0.00 O ATOM 0 H SER A 4 -12.237 -10.911 0.290 1.00 0.00 H new ATOM 0 HA SER A 4 -15.150 -10.632 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.825 -13.076 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.837 -12.591 2.443 1.00 0.00 H new ATOM 0 HG SER A 4 -15.749 -13.770 1.856 1.00 0.00 H new ATOM 61 N ILE A 5 -14.718 -9.305 2.718 1.00 0.00 N ATOM 62 CA ILE A 5 -14.470 -8.431 3.852 1.00 0.00 C ATOM 63 C ILE A 5 -14.510 -9.254 5.142 1.00 0.00 C ATOM 64 O ILE A 5 -15.383 -10.103 5.314 1.00 0.00 O ATOM 65 CB ILE A 5 -15.447 -7.253 3.845 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.430 -6.536 2.493 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.160 -6.297 5.004 1.00 0.00 C ATOM 68 CD1 ILE A 5 -14.056 -5.925 2.213 1.00 0.00 C ATOM 0 H ILE A 5 -15.656 -9.235 2.323 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.475 -7.991 3.783 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.454 -7.643 3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.687 -7.240 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.189 -5.753 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.868 -5.469 4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.262 -6.830 5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.145 -5.910 4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.072 -5.422 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.812 -5.204 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.303 -6.713 2.199 1.00 0.00 H new ATOM 80 N ILE A 6 -13.552 -8.974 6.014 1.00 0.00 N ATOM 81 CA ILE A 6 -13.466 -9.677 7.282 1.00 0.00 C ATOM 82 C ILE A 6 -14.133 -8.837 8.373 1.00 0.00 C ATOM 83 O ILE A 6 -15.086 -9.283 9.009 1.00 0.00 O ATOM 84 CB ILE A 6 -12.014 -10.047 7.592 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.385 -10.820 6.431 1.00 0.00 C ATOM 86 CG2 ILE A 6 -11.914 -10.815 8.912 1.00 0.00 C ATOM 87 CD1 ILE A 6 -11.686 -12.316 6.540 1.00 0.00 C ATOM 0 H ILE A 6 -12.829 -8.270 5.867 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.008 -10.622 7.231 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.445 -9.125 7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.767 -10.437 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.307 -10.662 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.872 -11.066 9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.298 -10.196 9.723 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.501 -11.731 8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.227 -12.841 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.281 -12.701 7.476 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.765 -12.473 6.520 1.00 0.00 H new ATOM 99 N SER A 7 -13.604 -7.636 8.555 1.00 0.00 N ATOM 100 CA SER A 7 -14.136 -6.728 9.558 1.00 0.00 C ATOM 101 C SER A 7 -14.167 -5.302 9.009 1.00 0.00 C ATOM 102 O SER A 7 -13.618 -5.031 7.942 1.00 0.00 O ATOM 103 CB SER A 7 -13.310 -6.784 10.845 1.00 0.00 C ATOM 104 OG SER A 7 -11.911 -6.819 10.579 1.00 0.00 O ATOM 0 H SER A 7 -12.813 -7.270 8.025 1.00 0.00 H new ATOM 0 HA SER A 7 -15.153 -7.040 9.797 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.540 -5.915 11.462 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.592 -7.667 11.419 1.00 0.00 H new ATOM 0 HG SER A 7 -11.418 -6.853 11.425 1.00 0.00 H new ATOM 110 N ASP A 8 -14.816 -4.425 9.762 1.00 0.00 N ATOM 111 CA ASP A 8 -14.925 -3.032 9.364 1.00 0.00 C ATOM 112 C ASP A 8 -14.610 -2.137 10.564 1.00 0.00 C ATOM 113 O ASP A 8 -15.505 -1.772 11.323 1.00 0.00 O ATOM 114 CB ASP A 8 -16.343 -2.705 8.890 1.00 0.00 C ATOM 115 CG ASP A 8 -17.453 -3.048 9.886 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.224 -3.753 10.879 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.611 -2.553 9.604 1.00 0.00 O ATOM 0 H ASP A 8 -15.272 -4.653 10.646 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.222 -2.858 8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.397 -1.641 8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.532 -3.241 7.960 1.00 0.00 H new ATOM 123 N ARG A 9 -13.332 -1.808 10.696 1.00 0.00 N ATOM 124 CA ARG A 9 -12.887 -0.962 11.791 1.00 0.00 C ATOM 125 C ARG A 9 -12.483 0.417 11.265 1.00 0.00 C ATOM 126 O ARG A 9 -11.909 0.529 10.184 1.00 0.00 O ATOM 127 CB ARG A 9 -11.699 -1.590 12.523 1.00 0.00 C ATOM 128 CG ARG A 9 -12.146 -2.243 13.832 1.00 0.00 C ATOM 129 CD ARG A 9 -11.542 -1.523 15.039 1.00 0.00 C ATOM 130 NE ARG A 9 -11.292 -2.488 16.133 1.00 0.00 N ATOM 131 CZ ARG A 9 -10.989 -2.135 17.400 1.00 0.00 C ATOM 132 NH1 ARG A 9 -10.896 -0.833 17.745 1.00 0.00 N ATOM 133 NH2 ARG A 9 -10.785 -3.082 18.297 1.00 0.00 N ATOM 0 H ARG A 9 -12.592 -2.112 10.063 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.717 -0.859 12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.226 -2.335 11.884 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.950 -0.826 12.731 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.234 -2.223 13.899 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.845 -3.291 13.841 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.610 -1.036 14.753 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.219 -0.740 15.382 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.353 -3.483 15.916 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.055 -0.108 17.046 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.667 -0.575 18.705 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.857 -4.063 18.028 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.555 -2.832 19.259 1.00 0.00 H new ATOM 146 N ASN A 10 -12.800 1.432 12.055 1.00 0.00 N ATOM 147 CA ASN A 10 -12.478 2.799 11.683 1.00 0.00 C ATOM 148 C ASN A 10 -11.719 3.470 12.830 1.00 0.00 C ATOM 149 O ASN A 10 -11.998 3.209 13.999 1.00 0.00 O ATOM 150 CB ASN A 10 -13.747 3.611 11.417 1.00 0.00 C ATOM 151 CG ASN A 10 -14.315 4.184 12.717 1.00 0.00 C ATOM 152 OD1 ASN A 10 -14.417 3.512 13.730 1.00 0.00 O ATOM 153 ND2 ASN A 10 -14.675 5.462 12.633 1.00 0.00 N ATOM 0 H ASN A 10 -13.277 1.335 12.952 1.00 0.00 H new ATOM 0 HA ASN A 10 -11.873 2.768 10.777 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.525 4.423 10.724 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.494 2.978 10.938 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.063 5.937 13.448 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.563 5.967 11.754 1.00 0.00 H new ATOM 160 N ASN A 11 -10.776 4.321 12.455 1.00 0.00 N ATOM 161 CA ASN A 11 -9.975 5.031 13.438 1.00 0.00 C ATOM 162 C ASN A 11 -9.988 6.526 13.116 1.00 0.00 C ATOM 163 O ASN A 11 -9.152 7.008 12.352 1.00 0.00 O ATOM 164 CB ASN A 11 -8.522 4.554 13.412 1.00 0.00 C ATOM 165 CG ASN A 11 -8.433 3.090 12.978 1.00 0.00 C ATOM 166 OD1 ASN A 11 -7.661 2.719 12.108 1.00 0.00 O ATOM 167 ND2 ASN A 11 -9.263 2.281 13.629 1.00 0.00 N ATOM 0 H ASN A 11 -10.548 4.535 11.484 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.400 4.838 14.423 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.944 5.175 12.728 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.079 4.671 14.401 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.280 1.285 13.411 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.883 2.657 14.346 1.00 0.00 H new ATOM 174 N PRO A 12 -10.971 7.238 13.729 1.00 0.00 N ATOM 175 CA PRO A 12 -11.103 8.669 13.515 1.00 0.00 C ATOM 176 C PRO A 12 -10.023 9.440 14.276 1.00 0.00 C ATOM 177 O PRO A 12 -9.532 10.462 13.798 1.00 0.00 O ATOM 178 CB PRO A 12 -12.511 9.008 13.979 1.00 0.00 C ATOM 179 CG PRO A 12 -12.949 7.851 14.862 1.00 0.00 C ATOM 180 CD PRO A 12 -11.978 6.702 14.639 1.00 0.00 C ATOM 0 HA PRO A 12 -10.961 8.952 12.472 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.525 9.948 14.531 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.184 9.128 13.130 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.952 8.150 15.910 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.966 7.545 14.615 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.530 6.375 15.577 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.481 5.837 14.207 1.00 0.00 H new ATOM 188 N LEU A 13 -9.684 8.920 15.446 1.00 0.00 N ATOM 189 CA LEU A 13 -8.669 9.547 16.277 1.00 0.00 C ATOM 190 C LEU A 13 -7.397 9.755 15.453 1.00 0.00 C ATOM 191 O LEU A 13 -6.942 10.885 15.283 1.00 0.00 O ATOM 192 CB LEU A 13 -8.447 8.735 17.555 1.00 0.00 C ATOM 193 CG LEU A 13 -9.653 8.613 18.490 1.00 0.00 C ATOM 194 CD1 LEU A 13 -10.347 7.261 18.318 1.00 0.00 C ATOM 195 CD2 LEU A 13 -9.247 8.869 19.944 1.00 0.00 C ATOM 0 H LEU A 13 -10.093 8.072 15.839 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.001 10.532 16.605 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.128 7.732 17.273 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.625 9.187 18.111 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.376 9.382 18.217 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.200 7.201 18.994 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.691 7.157 17.289 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.645 6.460 18.548 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.122 8.776 20.588 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.495 8.139 20.246 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.834 9.874 20.035 1.00 0.00 H new ATOM 207 N LEU A 14 -6.860 8.648 14.962 1.00 0.00 N ATOM 208 CA LEU A 14 -5.651 8.696 14.160 1.00 0.00 C ATOM 209 C LEU A 14 -5.984 9.251 12.773 1.00 0.00 C ATOM 210 O LEU A 14 -5.086 9.572 11.997 1.00 0.00 O ATOM 211 CB LEU A 14 -4.976 7.323 14.126 1.00 0.00 C ATOM 212 CG LEU A 14 -4.570 6.741 15.482 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.278 5.243 15.371 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.390 7.512 16.077 1.00 0.00 C ATOM 0 H LEU A 14 -7.241 7.712 15.105 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.924 9.373 14.608 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.652 6.620 13.639 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.085 7.394 13.502 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.409 6.855 16.168 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.992 4.855 16.348 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.170 4.723 15.021 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.464 5.082 14.664 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.121 7.079 17.040 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.537 7.451 15.401 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.670 8.556 16.214 1.00 0.00 H new ATOM 226 N GLN A 15 -7.279 9.347 12.506 1.00 0.00 N ATOM 227 CA GLN A 15 -7.742 9.858 11.227 1.00 0.00 C ATOM 228 C GLN A 15 -7.447 8.850 10.114 1.00 0.00 C ATOM 229 O GLN A 15 -6.670 9.136 9.203 1.00 0.00 O ATOM 230 CB GLN A 15 -7.110 11.216 10.917 1.00 0.00 C ATOM 231 CG GLN A 15 -8.124 12.348 11.101 1.00 0.00 C ATOM 232 CD GLN A 15 -7.544 13.469 11.964 1.00 0.00 C ATOM 233 OE1 GLN A 15 -6.937 14.411 11.480 1.00 0.00 O ATOM 234 NE2 GLN A 15 -7.763 13.318 13.267 1.00 0.00 N ATOM 0 H GLN A 15 -8.021 9.080 13.153 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.821 10.001 11.285 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.254 11.380 11.571 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.735 11.222 9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.411 12.745 10.128 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.029 11.958 11.566 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.279 12.506 13.607 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.415 14.014 13.927 1.00 0.00 H new ATOM 243 N ARG A 16 -8.082 7.693 10.224 1.00 0.00 N ATOM 244 CA ARG A 16 -7.897 6.641 9.238 1.00 0.00 C ATOM 245 C ARG A 16 -8.784 5.439 9.572 1.00 0.00 C ATOM 246 O ARG A 16 -8.959 5.098 10.740 1.00 0.00 O ATOM 247 CB ARG A 16 -6.437 6.189 9.183 1.00 0.00 C ATOM 248 CG ARG A 16 -5.815 6.172 10.580 1.00 0.00 C ATOM 249 CD ARG A 16 -4.296 6.001 10.502 1.00 0.00 C ATOM 250 NE ARG A 16 -3.790 5.391 11.752 1.00 0.00 N ATOM 251 CZ ARG A 16 -2.481 5.214 12.032 1.00 0.00 C ATOM 252 NH1 ARG A 16 -1.534 5.599 11.151 1.00 0.00 N ATOM 253 NH2 ARG A 16 -2.142 4.658 13.180 1.00 0.00 N ATOM 0 H ARG A 16 -8.725 7.460 10.981 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.177 7.045 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.377 5.194 8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.870 6.858 8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.054 7.100 11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.247 5.359 11.164 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.036 5.373 9.650 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.821 6.969 10.342 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.473 5.085 12.445 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.805 6.027 10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.547 5.462 11.370 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.864 4.369 13.840 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.158 4.517 13.407 1.00 0.00 H new ATOM 266 N ARG A 17 -9.320 4.831 8.523 1.00 0.00 N ATOM 267 CA ARG A 17 -10.184 3.676 8.690 1.00 0.00 C ATOM 268 C ARG A 17 -9.396 2.385 8.457 1.00 0.00 C ATOM 269 O ARG A 17 -8.728 2.238 7.435 1.00 0.00 O ATOM 270 CB ARG A 17 -11.365 3.726 7.719 1.00 0.00 C ATOM 271 CG ARG A 17 -12.422 2.682 8.085 1.00 0.00 C ATOM 272 CD ARG A 17 -13.470 2.551 6.979 1.00 0.00 C ATOM 273 NE ARG A 17 -14.826 2.498 7.571 1.00 0.00 N ATOM 274 CZ ARG A 17 -15.968 2.520 6.850 1.00 0.00 C ATOM 275 NH1 ARG A 17 -15.925 2.593 5.502 1.00 0.00 N ATOM 276 NH2 ARG A 17 -17.125 2.467 7.482 1.00 0.00 N ATOM 0 H ARG A 17 -9.172 5.117 7.555 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.566 3.694 9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.811 4.721 7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.012 3.550 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.943 1.717 8.253 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.908 2.963 9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.396 3.396 6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.284 1.650 6.395 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.903 2.441 8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.026 2.632 5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.792 2.609 4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.148 2.410 8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.997 2.483 6.952 1.00 0.00 H new ATOM 289 N GLU A 18 -9.499 1.483 9.423 1.00 0.00 N ATOM 290 CA GLU A 18 -8.804 0.210 9.336 1.00 0.00 C ATOM 291 C GLU A 18 -9.761 -0.886 8.865 1.00 0.00 C ATOM 292 O GLU A 18 -10.456 -1.498 9.675 1.00 0.00 O ATOM 293 CB GLU A 18 -8.165 -0.158 10.677 1.00 0.00 C ATOM 294 CG GLU A 18 -6.691 0.250 10.712 1.00 0.00 C ATOM 295 CD GLU A 18 -6.000 -0.300 11.961 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.349 -1.393 12.433 1.00 0.00 O ATOM 297 OE2 GLU A 18 -5.067 0.449 12.443 1.00 0.00 O ATOM 0 H GLU A 18 -10.053 1.609 10.270 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.003 0.304 8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.702 0.335 11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.253 -1.232 10.843 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.186 -0.120 9.820 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.610 1.337 10.696 1.00 0.00 H new ATOM 305 N ILE A 19 -9.768 -1.100 7.557 1.00 0.00 N ATOM 306 CA ILE A 19 -10.628 -2.113 6.969 1.00 0.00 C ATOM 307 C ILE A 19 -9.833 -3.405 6.781 1.00 0.00 C ATOM 308 O ILE A 19 -8.644 -3.367 6.468 1.00 0.00 O ATOM 309 CB ILE A 19 -11.266 -1.590 5.681 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.297 -0.500 5.981 1.00 0.00 C ATOM 311 CG2 ILE A 19 -11.865 -2.735 4.862 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.707 -1.087 6.068 1.00 0.00 C ATOM 0 H ILE A 19 -9.192 -0.589 6.888 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.457 -2.344 7.638 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.484 -1.134 5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.046 -0.006 6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.264 0.261 5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.312 -2.336 3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.080 -3.444 4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.630 -3.242 5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.420 -0.291 6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.964 -1.559 5.120 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.743 -1.830 6.864 1.00 0.00 H new ATOM 324 N LYS A 20 -10.521 -4.520 6.979 1.00 0.00 N ATOM 325 CA LYS A 20 -9.893 -5.823 6.837 1.00 0.00 C ATOM 326 C LYS A 20 -10.683 -6.657 5.825 1.00 0.00 C ATOM 327 O LYS A 20 -11.914 -6.632 5.822 1.00 0.00 O ATOM 328 CB LYS A 20 -9.738 -6.496 8.201 1.00 0.00 C ATOM 329 CG LYS A 20 -8.327 -6.291 8.757 1.00 0.00 C ATOM 330 CD LYS A 20 -7.490 -7.564 8.613 1.00 0.00 C ATOM 331 CE LYS A 20 -7.526 -8.084 7.175 1.00 0.00 C ATOM 332 NZ LYS A 20 -6.323 -8.896 6.888 1.00 0.00 N ATOM 0 H LYS A 20 -11.508 -4.548 7.237 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.882 -5.717 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.470 -6.087 8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.945 -7.562 8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.840 -5.470 8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.384 -6.006 9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.459 -7.361 8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.867 -8.330 9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.423 -8.685 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.581 -7.246 6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.230 -9.028 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.480 -8.408 7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.412 -9.824 7.349 1.00 0.00 H new ATOM 345 N PHE A 21 -9.945 -7.374 4.991 1.00 0.00 N ATOM 346 CA PHE A 21 -10.562 -8.213 3.978 1.00 0.00 C ATOM 347 C PHE A 21 -9.577 -9.265 3.464 1.00 0.00 C ATOM 348 O PHE A 21 -8.437 -9.330 3.923 1.00 0.00 O ATOM 349 CB PHE A 21 -10.959 -7.296 2.819 1.00 0.00 C ATOM 350 CG PHE A 21 -9.819 -6.994 1.845 1.00 0.00 C ATOM 351 CD1 PHE A 21 -9.720 -7.687 0.678 1.00 0.00 C ATOM 352 CD2 PHE A 21 -8.904 -6.034 2.144 1.00 0.00 C ATOM 353 CE1 PHE A 21 -8.662 -7.407 -0.226 1.00 0.00 C ATOM 354 CE2 PHE A 21 -7.846 -5.754 1.240 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.747 -6.446 0.073 1.00 0.00 C ATOM 0 H PHE A 21 -8.925 -7.391 4.996 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.422 -8.733 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.780 -7.757 2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.335 -6.357 3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.446 -8.450 0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.982 -5.484 3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.583 -7.957 -1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.119 -4.991 1.479 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.943 -6.233 -0.615 1.00 0.00 H new ATOM 365 N THR A 22 -10.053 -10.064 2.520 1.00 0.00 N ATOM 366 CA THR A 22 -9.229 -11.111 1.940 1.00 0.00 C ATOM 367 C THR A 22 -9.403 -11.145 0.421 1.00 0.00 C ATOM 368 O THR A 22 -10.364 -10.591 -0.111 1.00 0.00 O ATOM 369 CB THR A 22 -9.591 -12.431 2.623 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.497 -12.679 3.501 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.569 -13.616 1.655 1.00 0.00 C ATOM 0 H THR A 22 -10.999 -10.007 2.142 1.00 0.00 H new ATOM 0 HA THR A 22 -8.169 -10.921 2.110 1.00 0.00 H new ATOM 0 HB THR A 22 -10.581 -12.348 3.072 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.791 -13.259 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.833 -14.528 2.190 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.288 -13.445 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.571 -13.721 1.231 1.00 0.00 H new ATOM 379 N VAL A 23 -8.458 -11.802 -0.236 1.00 0.00 N ATOM 380 CA VAL A 23 -8.493 -11.915 -1.684 1.00 0.00 C ATOM 381 C VAL A 23 -8.003 -13.306 -2.094 1.00 0.00 C ATOM 382 O VAL A 23 -6.992 -13.787 -1.585 1.00 0.00 O ATOM 383 CB VAL A 23 -7.682 -10.784 -2.319 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.213 -10.860 -1.898 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.817 -10.800 -3.843 1.00 0.00 C ATOM 0 H VAL A 23 -7.663 -12.262 0.208 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.514 -11.808 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.086 -9.838 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.659 -10.045 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.140 -10.776 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.792 -11.814 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.231 -9.986 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.452 -11.751 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.865 -10.674 -4.117 1.00 0.00 H new ATOM 395 N SER A 24 -8.743 -13.911 -3.012 1.00 0.00 N ATOM 396 CA SER A 24 -8.396 -15.237 -3.497 1.00 0.00 C ATOM 397 C SER A 24 -7.944 -15.159 -4.957 1.00 0.00 C ATOM 398 O SER A 24 -8.450 -14.340 -5.722 1.00 0.00 O ATOM 399 CB SER A 24 -9.576 -16.201 -3.357 1.00 0.00 C ATOM 400 OG SER A 24 -9.608 -17.161 -4.409 1.00 0.00 O ATOM 0 H SER A 24 -9.580 -13.508 -3.432 1.00 0.00 H new ATOM 0 HA SER A 24 -7.576 -15.619 -2.890 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.512 -16.716 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.508 -15.635 -3.354 1.00 0.00 H new ATOM 0 HG SER A 24 -10.374 -17.759 -4.283 1.00 0.00 H new ATOM 406 N PHE A 25 -6.999 -16.021 -5.298 1.00 0.00 N ATOM 407 CA PHE A 25 -6.474 -16.061 -6.652 1.00 0.00 C ATOM 408 C PHE A 25 -5.602 -17.299 -6.867 1.00 0.00 C ATOM 409 O PHE A 25 -5.185 -17.944 -5.906 1.00 0.00 O ATOM 410 CB PHE A 25 -5.615 -14.809 -6.835 1.00 0.00 C ATOM 411 CG PHE A 25 -4.201 -14.936 -6.264 1.00 0.00 C ATOM 412 CD1 PHE A 25 -3.882 -14.322 -5.092 1.00 0.00 C ATOM 413 CD2 PHE A 25 -3.262 -15.661 -6.929 1.00 0.00 C ATOM 414 CE1 PHE A 25 -2.571 -14.440 -4.563 1.00 0.00 C ATOM 415 CE2 PHE A 25 -1.950 -15.779 -6.398 1.00 0.00 C ATOM 416 CZ PHE A 25 -1.631 -15.167 -5.227 1.00 0.00 C ATOM 0 H PHE A 25 -6.582 -16.698 -4.659 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.295 -16.100 -7.368 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.547 -14.580 -7.898 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.114 -13.965 -6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.627 -13.745 -4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.514 -16.147 -7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.319 -13.953 -3.633 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.205 -16.356 -6.925 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.633 -15.257 -4.824 1.00 0.00 H new ATOM 426 N ASP A 26 -5.353 -17.595 -8.134 1.00 0.00 N ATOM 427 CA ASP A 26 -4.538 -18.745 -8.487 1.00 0.00 C ATOM 428 C ASP A 26 -3.321 -18.276 -9.286 1.00 0.00 C ATOM 429 O ASP A 26 -3.407 -18.076 -10.497 1.00 0.00 O ATOM 430 CB ASP A 26 -5.323 -19.730 -9.356 1.00 0.00 C ATOM 431 CG ASP A 26 -6.694 -20.127 -8.807 1.00 0.00 C ATOM 432 OD1 ASP A 26 -7.515 -19.265 -8.456 1.00 0.00 O ATOM 433 OD2 ASP A 26 -6.910 -21.397 -8.743 1.00 0.00 O ATOM 0 H ASP A 26 -5.701 -17.059 -8.929 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.235 -19.240 -7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.458 -19.291 -10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.725 -20.632 -9.486 1.00 0.00 H new ATOM 439 N ALA A 27 -2.213 -18.115 -8.576 1.00 0.00 N ATOM 440 CA ALA A 27 -0.980 -17.672 -9.204 1.00 0.00 C ATOM 441 C ALA A 27 -1.067 -16.172 -9.489 1.00 0.00 C ATOM 442 O ALA A 27 -0.248 -15.395 -8.999 1.00 0.00 O ATOM 443 CB ALA A 27 -0.730 -18.492 -10.471 1.00 0.00 C ATOM 0 H ALA A 27 -2.144 -18.283 -7.572 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.132 -17.832 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.195 -18.160 -10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.646 -19.547 -10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.560 -18.354 -11.164 1.00 0.00 H new ATOM 449 N ALA A 28 -2.066 -15.808 -10.279 1.00 0.00 N ATOM 450 CA ALA A 28 -2.270 -14.415 -10.634 1.00 0.00 C ATOM 451 C ALA A 28 -2.010 -13.536 -9.409 1.00 0.00 C ATOM 452 O ALA A 28 -2.855 -13.440 -8.520 1.00 0.00 O ATOM 453 CB ALA A 28 -3.682 -14.232 -11.194 1.00 0.00 C ATOM 0 H ALA A 28 -2.743 -16.455 -10.683 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.569 -14.111 -11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.835 -13.186 -11.460 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.805 -14.854 -12.080 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.413 -14.525 -10.441 1.00 0.00 H new ATOM 459 N THR A 29 -0.837 -12.919 -9.401 1.00 0.00 N ATOM 460 CA THR A 29 -0.456 -12.053 -8.298 1.00 0.00 C ATOM 461 C THR A 29 -0.858 -10.606 -8.593 1.00 0.00 C ATOM 462 O THR A 29 -0.307 -9.975 -9.493 1.00 0.00 O ATOM 463 CB THR A 29 1.045 -12.228 -8.056 1.00 0.00 C ATOM 464 OG1 THR A 29 1.128 -13.371 -7.209 1.00 0.00 O ATOM 465 CG2 THR A 29 1.639 -11.097 -7.216 1.00 0.00 C ATOM 0 H THR A 29 -0.139 -13.002 -10.140 1.00 0.00 H new ATOM 0 HA THR A 29 -0.982 -12.324 -7.383 1.00 0.00 H new ATOM 0 HB THR A 29 1.564 -12.279 -9.013 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.698 -14.135 -7.647 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.706 -11.271 -7.074 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.491 -10.147 -7.729 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.144 -11.066 -6.245 1.00 0.00 H new ATOM 473 N PRO A 30 -1.843 -10.110 -7.796 1.00 0.00 N ATOM 474 CA PRO A 30 -2.326 -8.750 -7.962 1.00 0.00 C ATOM 475 C PRO A 30 -1.320 -7.740 -7.408 1.00 0.00 C ATOM 476 O PRO A 30 -0.151 -8.066 -7.209 1.00 0.00 O ATOM 477 CB PRO A 30 -3.662 -8.716 -7.239 1.00 0.00 C ATOM 478 CG PRO A 30 -3.660 -9.915 -6.305 1.00 0.00 C ATOM 479 CD PRO A 30 -2.518 -10.828 -6.720 1.00 0.00 C ATOM 0 HA PRO A 30 -2.448 -8.471 -9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.781 -7.787 -6.682 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.490 -8.772 -7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.535 -9.593 -5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.611 -10.444 -6.361 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.842 -11.020 -5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.888 -11.795 -7.060 1.00 0.00 H new ATOM 487 N SER A 31 -1.810 -6.531 -7.175 1.00 0.00 N ATOM 488 CA SER A 31 -0.969 -5.470 -6.647 1.00 0.00 C ATOM 489 C SER A 31 -1.824 -4.451 -5.892 1.00 0.00 C ATOM 490 O SER A 31 -3.039 -4.611 -5.787 1.00 0.00 O ATOM 491 CB SER A 31 -0.186 -4.781 -7.766 1.00 0.00 C ATOM 492 OG SER A 31 0.763 -5.655 -8.371 1.00 0.00 O ATOM 0 H SER A 31 -2.780 -6.263 -7.342 1.00 0.00 H new ATOM 0 HA SER A 31 -0.251 -5.913 -5.957 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.880 -4.419 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.330 -3.909 -7.364 1.00 0.00 H new ATOM 0 HG SER A 31 0.692 -6.545 -7.967 1.00 0.00 H new ATOM 498 N ILE A 32 -1.155 -3.426 -5.385 1.00 0.00 N ATOM 499 CA ILE A 32 -1.838 -2.380 -4.642 1.00 0.00 C ATOM 500 C ILE A 32 -2.887 -1.724 -5.541 1.00 0.00 C ATOM 501 O ILE A 32 -4.069 -1.692 -5.202 1.00 0.00 O ATOM 502 CB ILE A 32 -0.828 -1.393 -4.054 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.387 -2.127 -3.483 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.489 -0.485 -3.014 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.112 -1.265 -2.448 1.00 0.00 C ATOM 0 H ILE A 32 -0.147 -3.297 -5.474 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.368 -2.803 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.469 -0.752 -4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.068 -3.062 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.072 -2.386 -4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.749 0.207 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.295 0.079 -3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.894 -1.093 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.971 -1.810 -2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.451 -0.341 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.431 -1.028 -1.630 1.00 0.00 H new ATOM 517 N LYS A 33 -2.417 -1.217 -6.671 1.00 0.00 N ATOM 518 CA LYS A 33 -3.300 -0.563 -7.622 1.00 0.00 C ATOM 519 C LYS A 33 -4.366 -1.556 -8.088 1.00 0.00 C ATOM 520 O LYS A 33 -5.560 -1.262 -8.033 1.00 0.00 O ATOM 521 CB LYS A 33 -2.492 0.055 -8.767 1.00 0.00 C ATOM 522 CG LYS A 33 -2.391 1.573 -8.609 1.00 0.00 C ATOM 523 CD LYS A 33 -1.808 1.945 -7.245 1.00 0.00 C ATOM 524 CE LYS A 33 -0.278 1.948 -7.283 1.00 0.00 C ATOM 525 NZ LYS A 33 0.247 3.283 -6.921 1.00 0.00 N ATOM 0 H LYS A 33 -1.436 -1.246 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.823 0.267 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.493 -0.379 -8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.963 -0.185 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.764 1.984 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.379 2.020 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.170 2.929 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.155 1.237 -6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.110 1.199 -6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.067 1.673 -8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.286 3.267 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.109 3.990 -7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.067 3.531 -5.961 1.00 0.00 H new ATOM 538 N ASP A 34 -3.898 -2.711 -8.536 1.00 0.00 N ATOM 539 CA ASP A 34 -4.797 -3.750 -9.011 1.00 0.00 C ATOM 540 C ASP A 34 -5.799 -4.094 -7.908 1.00 0.00 C ATOM 541 O ASP A 34 -6.933 -4.476 -8.191 1.00 0.00 O ATOM 542 CB ASP A 34 -4.027 -5.023 -9.366 1.00 0.00 C ATOM 543 CG ASP A 34 -4.031 -5.388 -10.852 1.00 0.00 C ATOM 544 OD1 ASP A 34 -4.731 -4.762 -11.661 1.00 0.00 O ATOM 545 OD2 ASP A 34 -3.263 -6.374 -11.172 1.00 0.00 O ATOM 0 H ASP A 34 -2.908 -2.951 -8.580 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.305 -3.377 -9.900 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.994 -4.908 -9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.450 -5.854 -8.802 1.00 0.00 H new ATOM 551 N VAL A 35 -5.344 -3.948 -6.672 1.00 0.00 N ATOM 552 CA VAL A 35 -6.187 -4.238 -5.525 1.00 0.00 C ATOM 553 C VAL A 35 -7.138 -3.064 -5.285 1.00 0.00 C ATOM 554 O VAL A 35 -8.352 -3.246 -5.227 1.00 0.00 O ATOM 555 CB VAL A 35 -5.319 -4.564 -4.307 1.00 0.00 C ATOM 556 CG1 VAL A 35 -6.104 -4.374 -3.008 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.751 -5.981 -4.402 1.00 0.00 C ATOM 0 H VAL A 35 -4.402 -3.633 -6.440 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.801 -5.118 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.481 -3.867 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.464 -4.612 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.437 -3.339 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.970 -5.035 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.138 -6.187 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.570 -6.699 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.139 -6.068 -5.300 1.00 0.00 H new ATOM 567 N LYS A 36 -6.548 -1.885 -5.152 1.00 0.00 N ATOM 568 CA LYS A 36 -7.327 -0.681 -4.919 1.00 0.00 C ATOM 569 C LYS A 36 -8.365 -0.527 -6.034 1.00 0.00 C ATOM 570 O LYS A 36 -9.398 0.112 -5.841 1.00 0.00 O ATOM 571 CB LYS A 36 -6.407 0.532 -4.765 1.00 0.00 C ATOM 572 CG LYS A 36 -6.364 1.356 -6.052 1.00 0.00 C ATOM 573 CD LYS A 36 -5.034 2.102 -6.182 1.00 0.00 C ATOM 574 CE LYS A 36 -5.185 3.567 -5.768 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.261 4.422 -6.545 1.00 0.00 N ATOM 0 H LYS A 36 -5.540 -1.738 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.875 -0.758 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.756 1.155 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.401 0.199 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.503 0.701 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.188 2.070 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.280 1.620 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.680 2.046 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.213 3.892 -5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.980 3.673 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.684 5.363 -6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.360 4.514 -6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.088 3.991 -7.475 1.00 0.00 H new ATOM 588 N MET A 37 -8.053 -1.123 -7.175 1.00 0.00 N ATOM 589 CA MET A 37 -8.945 -1.060 -8.320 1.00 0.00 C ATOM 590 C MET A 37 -10.319 -1.640 -7.978 1.00 0.00 C ATOM 591 O MET A 37 -11.320 -0.925 -7.995 1.00 0.00 O ATOM 592 CB MET A 37 -8.336 -1.842 -9.485 1.00 0.00 C ATOM 593 CG MET A 37 -7.215 -1.046 -10.155 1.00 0.00 C ATOM 594 SD MET A 37 -7.687 -0.605 -11.818 1.00 0.00 S ATOM 595 CE MET A 37 -6.166 0.137 -12.386 1.00 0.00 C ATOM 0 H MET A 37 -7.195 -1.652 -7.331 1.00 0.00 H new ATOM 0 HA MET A 37 -9.073 -0.014 -8.600 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.945 -2.793 -9.124 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.110 -2.073 -10.217 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.002 -0.146 -9.578 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.299 -1.637 -10.173 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.287 0.471 -13.417 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.920 0.991 -11.755 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.362 -0.597 -12.334 1.00 0.00 H new ATOM 605 N LYS A 38 -10.322 -2.929 -7.675 1.00 0.00 N ATOM 606 CA LYS A 38 -11.557 -3.613 -7.329 1.00 0.00 C ATOM 607 C LYS A 38 -12.005 -3.173 -5.934 1.00 0.00 C ATOM 608 O LYS A 38 -13.201 -3.090 -5.661 1.00 0.00 O ATOM 609 CB LYS A 38 -11.387 -5.128 -7.471 1.00 0.00 C ATOM 610 CG LYS A 38 -10.458 -5.680 -6.388 1.00 0.00 C ATOM 611 CD LYS A 38 -9.020 -5.784 -6.900 1.00 0.00 C ATOM 612 CE LYS A 38 -8.279 -6.938 -6.221 1.00 0.00 C ATOM 613 NZ LYS A 38 -9.058 -8.191 -6.330 1.00 0.00 N ATOM 0 H LYS A 38 -9.490 -3.518 -7.662 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.353 -3.337 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.360 -5.615 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.982 -5.361 -8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.490 -5.032 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.807 -6.663 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.024 -5.935 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.494 -4.848 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.300 -7.070 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.107 -6.700 -5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.436 -8.959 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.454 -8.436 -5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.832 -8.060 -7.012 1.00 0.00 H new ATOM 626 N LEU A 39 -11.021 -2.902 -5.089 1.00 0.00 N ATOM 627 CA LEU A 39 -11.300 -2.472 -3.730 1.00 0.00 C ATOM 628 C LEU A 39 -12.000 -1.112 -3.763 1.00 0.00 C ATOM 629 O LEU A 39 -12.811 -0.806 -2.889 1.00 0.00 O ATOM 630 CB LEU A 39 -10.020 -2.484 -2.891 1.00 0.00 C ATOM 631 CG LEU A 39 -9.587 -3.847 -2.348 1.00 0.00 C ATOM 632 CD1 LEU A 39 -8.454 -3.696 -1.330 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.780 -4.610 -1.768 1.00 0.00 C ATOM 0 H LEU A 39 -10.030 -2.972 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.981 -3.170 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.208 -2.082 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.155 -1.806 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.199 -4.438 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.165 -4.679 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.597 -3.221 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.793 -3.080 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.445 -5.575 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.220 -4.033 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.526 -4.765 -2.547 1.00 0.00 H new ATOM 645 N VAL A 40 -11.664 -0.334 -4.780 1.00 0.00 N ATOM 646 CA VAL A 40 -12.251 0.986 -4.939 1.00 0.00 C ATOM 647 C VAL A 40 -13.776 0.862 -4.958 1.00 0.00 C ATOM 648 O VAL A 40 -14.472 1.618 -4.282 1.00 0.00 O ATOM 649 CB VAL A 40 -11.690 1.661 -6.193 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.813 2.265 -7.038 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.648 2.720 -5.825 1.00 0.00 C ATOM 0 H VAL A 40 -10.992 -0.592 -5.503 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.987 1.625 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.194 0.898 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.388 2.739 -7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.502 1.478 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -13.350 3.010 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.265 3.185 -6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.109 3.481 -5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.827 2.250 -5.284 1.00 0.00 H new ATOM 661 N ALA A 41 -14.250 -0.097 -5.740 1.00 0.00 N ATOM 662 CA ALA A 41 -15.680 -0.329 -5.856 1.00 0.00 C ATOM 663 C ALA A 41 -16.186 -1.008 -4.581 1.00 0.00 C ATOM 664 O ALA A 41 -17.273 -0.695 -4.096 1.00 0.00 O ATOM 665 CB ALA A 41 -15.962 -1.159 -7.110 1.00 0.00 C ATOM 0 H ALA A 41 -13.670 -0.722 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.215 0.614 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -17.034 -1.333 -7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.609 -0.621 -7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.444 -2.115 -7.038 1.00 0.00 H new ATOM 671 N VAL A 42 -15.376 -1.926 -4.075 1.00 0.00 N ATOM 672 CA VAL A 42 -15.729 -2.651 -2.866 1.00 0.00 C ATOM 673 C VAL A 42 -15.910 -1.660 -1.716 1.00 0.00 C ATOM 674 O VAL A 42 -16.939 -1.666 -1.043 1.00 0.00 O ATOM 675 CB VAL A 42 -14.675 -3.721 -2.573 1.00 0.00 C ATOM 676 CG1 VAL A 42 -15.088 -4.583 -1.377 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.414 -4.587 -3.806 1.00 0.00 C ATOM 0 H VAL A 42 -14.476 -2.185 -4.480 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.677 -3.173 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.745 -3.213 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.322 -5.336 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.200 -3.952 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.036 -5.076 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.661 -5.339 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.338 -5.081 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.056 -3.959 -4.622 1.00 0.00 H new ATOM 687 N LEU A 43 -14.894 -0.830 -1.526 1.00 0.00 N ATOM 688 CA LEU A 43 -14.928 0.165 -0.467 1.00 0.00 C ATOM 689 C LEU A 43 -15.789 1.348 -0.915 1.00 0.00 C ATOM 690 O LEU A 43 -16.334 2.073 -0.085 1.00 0.00 O ATOM 691 CB LEU A 43 -13.508 0.558 -0.055 1.00 0.00 C ATOM 692 CG LEU A 43 -12.570 -0.596 0.300 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.276 -0.077 0.931 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.272 -1.620 1.193 1.00 0.00 C ATOM 0 H LEU A 43 -14.042 -0.826 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.392 -0.247 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.059 1.128 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.572 1.226 0.804 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.296 -1.108 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.627 -0.918 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.767 0.583 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.511 0.475 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.582 -2.430 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.596 -1.137 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.140 -2.024 0.671 1.00 0.00 H new ATOM 706 N ASN A 44 -15.884 1.508 -2.227 1.00 0.00 N ATOM 707 CA ASN A 44 -16.668 2.590 -2.795 1.00 0.00 C ATOM 708 C ASN A 44 -16.359 3.887 -2.044 1.00 0.00 C ATOM 709 O ASN A 44 -17.260 4.523 -1.499 1.00 0.00 O ATOM 710 CB ASN A 44 -18.167 2.314 -2.662 1.00 0.00 C ATOM 711 CG ASN A 44 -18.949 2.970 -3.801 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.393 3.563 -4.710 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.268 2.832 -3.702 1.00 0.00 N ATOM 0 H ASN A 44 -15.430 0.905 -2.913 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.409 2.675 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.344 1.238 -2.667 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.526 2.692 -1.705 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.878 3.235 -4.413 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.670 2.323 -2.915 1.00 0.00 H new ATOM 720 N ALA A 45 -15.082 4.240 -2.039 1.00 0.00 N ATOM 721 CA ALA A 45 -14.642 5.450 -1.363 1.00 0.00 C ATOM 722 C ALA A 45 -13.679 6.215 -2.274 1.00 0.00 C ATOM 723 O ALA A 45 -13.502 5.857 -3.436 1.00 0.00 O ATOM 724 CB ALA A 45 -14.008 5.082 -0.020 1.00 0.00 C ATOM 0 H ALA A 45 -14.338 3.710 -2.492 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.489 6.104 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.678 5.989 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.742 4.566 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.152 4.429 -0.189 1.00 0.00 H new ATOM 730 N ASN A 46 -13.083 7.254 -1.708 1.00 0.00 N ATOM 731 CA ASN A 46 -12.142 8.074 -2.454 1.00 0.00 C ATOM 732 C ASN A 46 -10.943 7.217 -2.867 1.00 0.00 C ATOM 733 O ASN A 46 -10.198 6.734 -2.016 1.00 0.00 O ATOM 734 CB ASN A 46 -11.623 9.232 -1.600 1.00 0.00 C ATOM 735 CG ASN A 46 -11.099 10.370 -2.479 1.00 0.00 C ATOM 736 OD1 ASN A 46 -10.868 10.214 -3.667 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.923 11.518 -1.831 1.00 0.00 N ATOM 0 H ASN A 46 -13.233 7.547 -0.743 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.660 8.473 -3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.423 9.602 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.827 8.877 -0.945 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.575 12.337 -2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.136 11.580 -0.835 1.00 0.00 H new ATOM 744 N LYS A 47 -10.794 7.056 -4.173 1.00 0.00 N ATOM 745 CA LYS A 47 -9.699 6.267 -4.710 1.00 0.00 C ATOM 746 C LYS A 47 -8.419 7.106 -4.702 1.00 0.00 C ATOM 747 O LYS A 47 -7.323 6.576 -4.876 1.00 0.00 O ATOM 748 CB LYS A 47 -10.062 5.714 -6.090 1.00 0.00 C ATOM 749 CG LYS A 47 -10.284 6.847 -7.093 1.00 0.00 C ATOM 750 CD LYS A 47 -10.136 6.342 -8.531 1.00 0.00 C ATOM 751 CE LYS A 47 -8.947 7.007 -9.225 1.00 0.00 C ATOM 752 NZ LYS A 47 -9.148 7.028 -10.692 1.00 0.00 N ATOM 0 H LYS A 47 -11.414 7.459 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.514 5.396 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.265 5.060 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.964 5.106 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.278 7.272 -6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.567 7.647 -6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.002 5.260 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.049 6.549 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.825 8.025 -8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.030 6.468 -8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.331 7.483 -11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.242 6.054 -11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.012 7.562 -10.916 1.00 0.00 H new ATOM 765 N GLN A 48 -8.602 8.403 -4.498 1.00 0.00 N ATOM 766 CA GLN A 48 -7.476 9.320 -4.465 1.00 0.00 C ATOM 767 C GLN A 48 -6.677 9.134 -3.173 1.00 0.00 C ATOM 768 O GLN A 48 -5.447 9.134 -3.194 1.00 0.00 O ATOM 769 CB GLN A 48 -7.944 10.769 -4.616 1.00 0.00 C ATOM 770 CG GLN A 48 -8.582 11.000 -5.987 1.00 0.00 C ATOM 771 CD GLN A 48 -8.815 12.490 -6.239 1.00 0.00 C ATOM 772 OE1 GLN A 48 -9.452 13.185 -5.464 1.00 0.00 O ATOM 773 NE2 GLN A 48 -8.267 12.941 -7.365 1.00 0.00 N ATOM 0 H GLN A 48 -9.513 8.840 -4.354 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.824 9.093 -5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.663 11.006 -3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.098 11.443 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.937 10.592 -6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.530 10.465 -6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.746 12.305 -7.969 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.368 13.922 -7.624 1.00 0.00 H new ATOM 782 N VAL A 49 -7.408 8.979 -2.080 1.00 0.00 N ATOM 783 CA VAL A 49 -6.783 8.792 -0.781 1.00 0.00 C ATOM 784 C VAL A 49 -7.124 7.397 -0.252 1.00 0.00 C ATOM 785 O VAL A 49 -7.571 7.253 0.885 1.00 0.00 O ATOM 786 CB VAL A 49 -7.208 9.913 0.170 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.610 11.254 -0.260 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.732 9.998 0.270 1.00 0.00 C ATOM 0 H VAL A 49 -8.428 8.979 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.698 8.851 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.820 9.677 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.928 12.033 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.522 11.186 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.953 11.500 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.008 10.802 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.151 10.199 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.125 9.053 0.646 1.00 0.00 H new ATOM 798 N LEU A 50 -6.898 6.406 -1.102 1.00 0.00 N ATOM 799 CA LEU A 50 -7.176 5.028 -0.734 1.00 0.00 C ATOM 800 C LEU A 50 -6.007 4.143 -1.171 1.00 0.00 C ATOM 801 O LEU A 50 -5.513 4.268 -2.291 1.00 0.00 O ATOM 802 CB LEU A 50 -8.528 4.584 -1.298 1.00 0.00 C ATOM 803 CG LEU A 50 -8.743 3.074 -1.413 1.00 0.00 C ATOM 804 CD1 LEU A 50 -10.184 2.698 -1.061 1.00 0.00 C ATOM 805 CD2 LEU A 50 -8.340 2.566 -2.799 1.00 0.00 C ATOM 0 H LEU A 50 -6.526 6.530 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.262 4.933 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.316 4.996 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.649 5.025 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.095 2.580 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.311 1.619 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.401 3.005 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.869 3.202 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.503 1.490 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.943 3.063 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.286 2.783 -2.974 1.00 0.00 H new ATOM 817 N VAL A 51 -5.597 3.268 -0.264 1.00 0.00 N ATOM 818 CA VAL A 51 -4.495 2.363 -0.542 1.00 0.00 C ATOM 819 C VAL A 51 -4.633 1.116 0.333 1.00 0.00 C ATOM 820 O VAL A 51 -5.522 1.042 1.180 1.00 0.00 O ATOM 821 CB VAL A 51 -3.161 3.086 -0.345 1.00 0.00 C ATOM 822 CG1 VAL A 51 -2.109 2.574 -1.332 1.00 0.00 C ATOM 823 CG2 VAL A 51 -3.335 4.601 -0.469 1.00 0.00 C ATOM 0 H VAL A 51 -6.008 3.167 0.664 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.522 2.036 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.809 2.870 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.170 3.104 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.954 1.506 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.453 2.747 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.372 5.091 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.721 4.843 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.037 4.950 0.289 1.00 0.00 H new ATOM 833 N VAL A 52 -3.740 0.165 0.098 1.00 0.00 N ATOM 834 CA VAL A 52 -3.751 -1.075 0.854 1.00 0.00 C ATOM 835 C VAL A 52 -2.562 -1.092 1.816 1.00 0.00 C ATOM 836 O VAL A 52 -1.475 -0.629 1.474 1.00 0.00 O ATOM 837 CB VAL A 52 -3.763 -2.270 -0.102 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.343 -2.771 -0.372 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.648 -3.395 0.438 1.00 0.00 C ATOM 0 H VAL A 52 -3.004 0.229 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.657 -1.147 1.456 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.186 -1.936 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.380 -3.620 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.754 -1.971 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.881 -3.079 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.639 -4.232 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.268 -3.725 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.669 -3.031 0.555 1.00 0.00 H new ATOM 849 N ASP A 53 -2.808 -1.630 3.002 1.00 0.00 N ATOM 850 CA ASP A 53 -1.771 -1.712 4.016 1.00 0.00 C ATOM 851 C ASP A 53 -0.743 -2.768 3.603 1.00 0.00 C ATOM 852 O ASP A 53 0.444 -2.472 3.488 1.00 0.00 O ATOM 853 CB ASP A 53 -2.355 -2.125 5.369 1.00 0.00 C ATOM 854 CG ASP A 53 -2.261 -1.061 6.464 1.00 0.00 C ATOM 855 OD1 ASP A 53 -3.100 -0.152 6.546 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.261 -1.195 7.269 1.00 0.00 O ATOM 0 H ASP A 53 -3.711 -2.013 3.283 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.310 -0.729 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.403 -2.391 5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.841 -3.023 5.711 1.00 0.00 H new ATOM 862 N THR A 54 -1.238 -3.979 3.393 1.00 0.00 N ATOM 863 CA THR A 54 -0.377 -5.081 2.996 1.00 0.00 C ATOM 864 C THR A 54 -1.205 -6.345 2.755 1.00 0.00 C ATOM 865 O THR A 54 -2.367 -6.415 3.154 1.00 0.00 O ATOM 866 CB THR A 54 0.696 -5.254 4.073 1.00 0.00 C ATOM 867 OG1 THR A 54 1.831 -4.575 3.544 1.00 0.00 O ATOM 868 CG2 THR A 54 1.160 -6.706 4.209 1.00 0.00 C ATOM 0 H THR A 54 -2.224 -4.222 3.490 1.00 0.00 H new ATOM 0 HA THR A 54 0.122 -4.872 2.050 1.00 0.00 H new ATOM 0 HB THR A 54 0.309 -4.905 5.031 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.674 -3.608 3.568 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.921 -6.773 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.311 -7.336 4.477 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.578 -7.045 3.261 1.00 0.00 H new ATOM 876 N LEU A 55 -0.575 -7.311 2.104 1.00 0.00 N ATOM 877 CA LEU A 55 -1.239 -8.568 1.804 1.00 0.00 C ATOM 878 C LEU A 55 -0.309 -9.729 2.163 1.00 0.00 C ATOM 879 O LEU A 55 0.871 -9.521 2.438 1.00 0.00 O ATOM 880 CB LEU A 55 -1.717 -8.589 0.350 1.00 0.00 C ATOM 881 CG LEU A 55 -2.987 -9.395 0.073 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.094 -8.498 -0.484 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.694 -10.582 -0.847 1.00 0.00 C ATOM 0 H LEU A 55 0.389 -7.249 1.776 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.137 -8.679 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.886 -7.561 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.914 -8.989 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.346 -9.802 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.986 -9.095 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.327 -7.716 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.759 -8.043 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.614 -11.138 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.298 -10.218 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.961 -11.236 -0.375 1.00 0.00 H new ATOM 895 N ASP A 56 -0.877 -10.925 2.150 1.00 0.00 N ATOM 896 CA ASP A 56 -0.115 -12.120 2.471 1.00 0.00 C ATOM 897 C ASP A 56 -0.855 -13.351 1.942 1.00 0.00 C ATOM 898 O ASP A 56 -2.006 -13.589 2.302 1.00 0.00 O ATOM 899 CB ASP A 56 0.047 -12.280 3.984 1.00 0.00 C ATOM 900 CG ASP A 56 1.468 -12.066 4.508 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.974 -10.934 4.540 1.00 0.00 O ATOM 902 OD2 ASP A 56 2.072 -13.137 4.901 1.00 0.00 O ATOM 0 H ASP A 56 -1.857 -11.093 1.922 1.00 0.00 H new ATOM 0 HA ASP A 56 0.868 -12.026 2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.618 -11.574 4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.281 -13.281 4.266 1.00 0.00 H new ATOM 908 N GLN A 57 -0.164 -14.099 1.096 1.00 0.00 N ATOM 909 CA GLN A 57 -0.740 -15.299 0.515 1.00 0.00 C ATOM 910 C GLN A 57 -1.031 -16.331 1.606 1.00 0.00 C ATOM 911 O GLN A 57 -0.308 -16.412 2.597 1.00 0.00 O ATOM 912 CB GLN A 57 0.178 -15.883 -0.562 1.00 0.00 C ATOM 913 CG GLN A 57 -0.576 -16.880 -1.444 1.00 0.00 C ATOM 914 CD GLN A 57 0.344 -18.015 -1.898 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.559 -17.922 -1.844 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.301 -19.087 -2.349 1.00 0.00 N ATOM 0 H GLN A 57 0.791 -13.897 0.798 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.682 -15.030 0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.579 -15.078 -1.178 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.027 -16.378 -0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.422 -17.291 -0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.982 -16.366 -2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.321 -19.099 -2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.224 -19.898 -2.677 1.00 0.00 H new ATOM 925 N ILE A 58 -2.091 -17.094 1.386 1.00 0.00 N ATOM 926 CA ILE A 58 -2.487 -18.118 2.339 1.00 0.00 C ATOM 927 C ILE A 58 -1.857 -19.454 1.936 1.00 0.00 C ATOM 928 O ILE A 58 -1.891 -19.832 0.767 1.00 0.00 O ATOM 929 CB ILE A 58 -4.010 -18.171 2.467 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.574 -16.805 2.867 1.00 0.00 C ATOM 931 CG2 ILE A 58 -4.441 -19.273 3.436 1.00 0.00 C ATOM 932 CD1 ILE A 58 -4.336 -16.526 4.351 1.00 0.00 C ATOM 0 H ILE A 58 -2.688 -17.024 0.562 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.115 -17.876 3.335 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.426 -18.419 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.106 -16.025 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.643 -16.773 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.528 -19.289 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.088 -20.237 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.015 -19.079 4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.746 -15.549 4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.826 -17.294 4.949 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.265 -16.535 4.556 1.00 0.00 H new ATOM 944 N PHE A 59 -1.297 -20.131 2.928 1.00 0.00 N ATOM 945 CA PHE A 59 -0.661 -21.416 2.692 1.00 0.00 C ATOM 946 C PHE A 59 -1.700 -22.538 2.630 1.00 0.00 C ATOM 947 O PHE A 59 -1.530 -23.504 1.889 1.00 0.00 O ATOM 948 CB PHE A 59 0.279 -21.672 3.871 1.00 0.00 C ATOM 949 CG PHE A 59 1.340 -22.741 3.600 1.00 0.00 C ATOM 950 CD1 PHE A 59 2.295 -22.526 2.656 1.00 0.00 C ATOM 951 CD2 PHE A 59 1.326 -23.906 4.301 1.00 0.00 C ATOM 952 CE1 PHE A 59 3.279 -23.518 2.404 1.00 0.00 C ATOM 953 CE2 PHE A 59 2.310 -24.898 4.050 1.00 0.00 C ATOM 954 CZ PHE A 59 3.266 -24.684 3.106 1.00 0.00 C ATOM 0 H PHE A 59 -1.271 -19.814 3.897 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.127 -21.399 1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.777 -20.739 4.135 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.313 -21.973 4.736 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.305 -21.601 2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.566 -24.077 5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.038 -23.347 1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.300 -25.822 4.608 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.014 -25.439 2.914 1.00 0.00 H new ATOM 964 N GLY A 60 -2.751 -22.372 3.418 1.00 0.00 N ATOM 965 CA GLY A 60 -3.817 -23.359 3.463 1.00 0.00 C ATOM 966 C GLY A 60 -4.290 -23.717 2.052 1.00 0.00 C ATOM 967 O GLY A 60 -4.399 -24.894 1.710 1.00 0.00 O ATOM 0 H GLY A 60 -2.888 -21.568 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.466 -24.257 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.654 -22.970 4.044 1.00 0.00 H new ATOM 971 N LYS A 61 -4.560 -22.682 1.272 1.00 0.00 N ATOM 972 CA LYS A 61 -5.020 -22.873 -0.093 1.00 0.00 C ATOM 973 C LYS A 61 -4.529 -21.710 -0.959 1.00 0.00 C ATOM 974 O LYS A 61 -3.514 -21.088 -0.652 1.00 0.00 O ATOM 975 CB LYS A 61 -6.537 -23.066 -0.126 1.00 0.00 C ATOM 976 CG LYS A 61 -7.264 -21.755 0.182 1.00 0.00 C ATOM 977 CD LYS A 61 -8.754 -21.864 -0.147 1.00 0.00 C ATOM 978 CE LYS A 61 -9.570 -22.184 1.107 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.866 -21.469 1.079 1.00 0.00 N ATOM 0 H LYS A 61 -4.469 -21.707 1.559 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.597 -23.786 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.839 -23.432 -1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.826 -23.826 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.138 -21.504 1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.819 -20.944 -0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.103 -20.928 -0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.909 -22.642 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.742 -23.258 1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.009 -21.897 1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.407 -21.697 1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.696 -20.444 1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.407 -21.763 0.241 1.00 0.00 H new ATOM 992 N LEU A 62 -5.274 -21.453 -2.024 1.00 0.00 N ATOM 993 CA LEU A 62 -4.928 -20.375 -2.936 1.00 0.00 C ATOM 994 C LEU A 62 -5.613 -19.086 -2.480 1.00 0.00 C ATOM 995 O LEU A 62 -6.116 -18.321 -3.302 1.00 0.00 O ATOM 996 CB LEU A 62 -5.256 -20.769 -4.378 1.00 0.00 C ATOM 997 CG LEU A 62 -4.675 -22.100 -4.859 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.663 -22.834 -5.767 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.318 -21.893 -5.537 1.00 0.00 C ATOM 0 H LEU A 62 -6.115 -21.972 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.854 -20.189 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.340 -20.809 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.899 -19.979 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.507 -22.734 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.225 -23.777 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.583 -23.033 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.886 -22.216 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.927 -22.855 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.437 -21.233 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.622 -21.444 -4.829 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.610 -18.883 -1.170 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.226 -17.700 -0.595 1.00 0.00 C ATOM 1013 C GLU A 63 -5.156 -16.659 -0.253 1.00 0.00 C ATOM 1014 O GLU A 63 -3.975 -16.987 -0.153 1.00 0.00 O ATOM 1015 CB GLU A 63 -7.055 -18.058 0.639 1.00 0.00 C ATOM 1016 CG GLU A 63 -8.136 -17.005 0.898 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.521 -17.650 0.982 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -9.983 -17.984 2.083 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -10.123 -17.800 -0.150 1.00 0.00 O ATOM 0 H GLU A 63 -5.191 -19.518 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.902 -17.270 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.519 -19.034 0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.403 -18.137 1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.920 -16.477 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.124 -16.263 0.100 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.610 -15.425 -0.086 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.707 -14.335 0.242 1.00 0.00 C ATOM 1029 C ALA A 64 -5.422 -13.348 1.169 1.00 0.00 C ATOM 1030 O ALA A 64 -6.544 -12.930 0.890 1.00 0.00 O ATOM 1031 CB ALA A 64 -4.217 -13.672 -1.046 1.00 0.00 C ATOM 0 H ALA A 64 -6.590 -15.156 -0.172 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.830 -14.709 0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.540 -12.854 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.692 -14.407 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.070 -13.282 -1.601 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.741 -13.006 2.254 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.296 -12.078 3.223 1.00 0.00 C ATOM 1039 C GLU A 65 -4.482 -10.782 3.245 1.00 0.00 C ATOM 1040 O GLU A 65 -3.276 -10.800 3.008 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.357 -12.710 4.615 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.327 -11.948 5.522 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.942 -12.108 6.994 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -4.756 -11.994 7.340 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -6.925 -12.359 7.790 1.00 0.00 O ATOM 0 H GLU A 65 -3.810 -13.355 2.482 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.316 -11.838 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.672 -13.750 4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.362 -12.712 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.326 -10.891 5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.341 -12.315 5.366 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.176 -9.690 3.529 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.532 -8.388 3.583 1.00 0.00 C ATOM 1055 C GLY A 66 -5.410 -7.373 4.319 1.00 0.00 C ATOM 1056 O GLY A 66 -6.589 -7.627 4.562 1.00 0.00 O ATOM 0 H GLY A 66 -6.177 -9.680 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.569 -8.475 4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.331 -8.035 2.571 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.800 -6.245 4.652 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.513 -5.190 5.355 1.00 0.00 C ATOM 1062 C TYR A 67 -5.625 -3.934 4.489 1.00 0.00 C ATOM 1063 O TYR A 67 -4.660 -3.534 3.840 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.673 -4.868 6.593 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.498 -4.458 7.814 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.264 -3.310 7.776 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -5.477 -5.236 8.954 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -7.040 -2.924 8.925 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -6.253 -4.849 10.104 1.00 0.00 C ATOM 1070 CZ TYR A 67 -6.996 -3.713 10.033 1.00 0.00 C ATOM 1071 OH TYR A 67 -7.730 -3.348 11.118 1.00 0.00 O ATOM 0 H TYR A 67 -3.822 -6.038 4.449 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.524 -5.510 5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.073 -5.741 6.849 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.979 -4.064 6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.281 -2.702 6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.879 -6.135 8.984 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.644 -2.029 8.908 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.245 -5.448 11.003 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.198 -2.754 11.688 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.813 -3.347 4.507 1.00 0.00 N ATOM 1082 CA ALA A 68 -7.064 -2.144 3.731 1.00 0.00 C ATOM 1083 C ALA A 68 -7.327 -0.974 4.682 1.00 0.00 C ATOM 1084 O ALA A 68 -8.206 -1.051 5.539 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.232 -2.389 2.773 1.00 0.00 C ATOM 0 H ALA A 68 -7.612 -3.682 5.046 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.193 -1.889 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.420 -1.487 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.985 -3.210 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.124 -2.645 3.345 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.547 0.082 4.500 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.684 1.266 5.331 1.00 0.00 C ATOM 1093 C LYS A 69 -6.906 2.487 4.438 1.00 0.00 C ATOM 1094 O LYS A 69 -6.401 2.542 3.318 1.00 0.00 O ATOM 1095 CB LYS A 69 -5.484 1.401 6.271 1.00 0.00 C ATOM 1096 CG LYS A 69 -5.620 2.643 7.156 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.764 3.792 6.622 1.00 0.00 C ATOM 1098 CE LYS A 69 -3.401 3.830 7.316 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.926 5.226 7.450 1.00 0.00 N ATOM 0 H LYS A 69 -5.818 0.142 3.789 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.558 1.180 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.405 0.511 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.565 1.464 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.665 2.952 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.318 2.403 8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.625 3.678 5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.282 4.739 6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.475 3.369 8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.679 3.247 6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.051 5.243 8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.739 5.621 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.654 5.796 7.926 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.664 3.437 4.967 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.960 4.654 4.232 1.00 0.00 C ATOM 1114 C ILE A 70 -7.678 5.866 5.123 1.00 0.00 C ATOM 1115 O ILE A 70 -8.133 5.920 6.265 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.388 4.615 3.683 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.527 3.548 2.595 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.824 5.997 3.190 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.956 3.001 2.545 1.00 0.00 C ATOM 0 H ILE A 70 -8.082 3.388 5.896 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.310 4.739 3.361 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.059 4.337 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.262 3.973 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.828 2.734 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.842 5.941 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.787 6.707 4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.154 6.328 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.029 2.244 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.209 2.555 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.649 3.814 2.329 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.928 6.806 4.569 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.579 8.012 5.300 1.00 0.00 C ATOM 1133 C TYR A 71 -7.648 9.092 5.118 1.00 0.00 C ATOM 1134 O TYR A 71 -8.196 9.252 4.029 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.264 8.508 4.694 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.375 7.392 4.142 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -3.950 7.434 2.830 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -3.996 6.344 4.957 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -3.113 6.384 2.310 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -3.159 5.294 4.437 1.00 0.00 C ATOM 1141 CZ TYR A 71 -2.759 5.366 3.139 1.00 0.00 C ATOM 1142 OH TYR A 71 -1.968 4.374 2.649 1.00 0.00 O ATOM 0 H TYR A 71 -6.552 6.757 3.622 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.496 7.803 6.367 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.488 9.211 3.892 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.710 9.058 5.454 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.245 8.255 2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.327 6.312 5.984 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.774 6.405 1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.856 4.468 5.063 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.795 3.715 3.354 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.914 9.805 6.203 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.907 10.864 6.178 1.00 0.00 C ATOM 1154 C ASN A 72 -8.276 12.136 5.609 1.00 0.00 C ATOM 1155 O ASN A 72 -8.961 12.953 4.993 1.00 0.00 O ATOM 1156 CB ASN A 72 -9.415 11.178 7.587 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.873 10.747 7.753 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.673 10.799 6.832 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -11.175 10.318 8.976 1.00 0.00 N ATOM 0 H ASN A 72 -7.458 9.669 7.105 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.741 10.529 5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.795 10.667 8.323 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.324 12.247 7.781 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.123 10.007 9.188 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.458 10.300 9.702 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.977 12.266 5.834 1.00 0.00 N ATOM 1167 CA ASP A 73 -6.245 13.425 5.352 1.00 0.00 C ATOM 1168 C ASP A 73 -4.750 13.102 5.322 1.00 0.00 C ATOM 1169 O ASP A 73 -4.172 12.727 6.341 1.00 0.00 O ATOM 1170 CB ASP A 73 -6.451 14.629 6.273 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.974 14.291 7.670 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -6.373 13.492 8.403 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -8.063 14.897 8.005 1.00 0.00 O ATOM 0 H ASP A 73 -6.412 11.587 6.344 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.614 13.667 4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.503 15.157 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.149 15.317 5.796 1.00 0.00 H new ATOM 1179 N GLU A 74 -4.166 13.261 4.143 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.749 12.991 3.966 1.00 0.00 C ATOM 1181 C GLU A 74 -1.919 13.912 4.862 1.00 0.00 C ATOM 1182 O GLU A 74 -0.823 13.549 5.285 1.00 0.00 O ATOM 1183 CB GLU A 74 -2.341 13.140 2.499 1.00 0.00 C ATOM 1184 CG GLU A 74 -3.300 12.376 1.583 1.00 0.00 C ATOM 1185 CD GLU A 74 -3.908 13.305 0.530 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -3.397 13.383 -0.597 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -4.950 13.961 0.917 1.00 0.00 O ATOM 0 H GLU A 74 -4.649 13.574 3.301 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.556 11.959 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.334 14.195 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.326 12.768 2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.768 11.562 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.094 11.925 2.177 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.473 15.086 5.126 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.797 16.061 5.965 1.00 0.00 C ATOM 1197 C LYS A 75 -1.502 15.437 7.330 1.00 0.00 C ATOM 1198 O LYS A 75 -0.395 15.566 7.849 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.610 17.356 6.044 1.00 0.00 C ATOM 1200 CG LYS A 75 -3.110 17.774 4.659 1.00 0.00 C ATOM 1201 CD LYS A 75 -4.552 17.315 4.435 1.00 0.00 C ATOM 1202 CE LYS A 75 -5.496 18.513 4.316 1.00 0.00 C ATOM 1203 NZ LYS A 75 -5.464 19.063 2.943 1.00 0.00 N ATOM 0 H LYS A 75 -3.383 15.384 4.774 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.838 16.339 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.458 17.217 6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.996 18.150 6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.050 18.858 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.465 17.346 3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.609 16.711 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.868 16.679 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.512 18.210 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.206 19.284 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.110 19.875 2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.497 19.371 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.762 18.330 2.268 1.00 0.00 H new ATOM 1216 N ALA A 76 -2.512 14.773 7.872 1.00 0.00 N ATOM 1217 CA ALA A 76 -2.375 14.128 9.166 1.00 0.00 C ATOM 1218 C ALA A 76 -1.513 12.872 9.017 1.00 0.00 C ATOM 1219 O ALA A 76 -0.531 12.699 9.737 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.763 13.819 9.733 1.00 0.00 C ATOM 0 H ALA A 76 -3.429 14.668 7.438 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.874 14.790 9.873 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.660 13.335 10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.324 14.747 9.848 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.295 13.155 9.051 1.00 0.00 H new ATOM 1226 N MET A 77 -1.913 12.027 8.077 1.00 0.00 N ATOM 1227 CA MET A 77 -1.191 10.793 7.824 1.00 0.00 C ATOM 1228 C MET A 77 0.291 11.069 7.557 1.00 0.00 C ATOM 1229 O MET A 77 1.161 10.396 8.107 1.00 0.00 O ATOM 1230 CB MET A 77 -1.802 10.080 6.617 1.00 0.00 C ATOM 1231 CG MET A 77 -0.750 9.254 5.875 1.00 0.00 C ATOM 1232 SD MET A 77 -1.542 7.978 4.912 1.00 0.00 S ATOM 1233 CE MET A 77 -1.005 8.447 3.275 1.00 0.00 C ATOM 0 H MET A 77 -2.728 12.174 7.482 1.00 0.00 H new ATOM 0 HA MET A 77 -1.271 10.161 8.709 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.613 9.430 6.947 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.237 10.814 5.939 1.00 0.00 H new ATOM 0 HG2 MET A 77 -0.162 9.900 5.223 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.058 8.806 6.588 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.740 7.554 2.709 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.811 8.974 2.765 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.135 9.100 3.350 1.00 0.00 H new ATOM 1243 N ALA A 78 0.532 12.062 6.713 1.00 0.00 N ATOM 1244 CA ALA A 78 1.892 12.436 6.367 1.00 0.00 C ATOM 1245 C ALA A 78 2.727 12.544 7.644 1.00 0.00 C ATOM 1246 O ALA A 78 3.838 12.021 7.710 1.00 0.00 O ATOM 1247 CB ALA A 78 1.875 13.741 5.568 1.00 0.00 C ATOM 0 H ALA A 78 -0.192 12.619 6.259 1.00 0.00 H new ATOM 0 HA ALA A 78 2.351 11.674 5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.896 14.022 5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.294 13.602 4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.423 14.530 6.169 1.00 0.00 H new ATOM 1253 N THR A 79 2.162 13.229 8.627 1.00 0.00 N ATOM 1254 CA THR A 79 2.840 13.413 9.898 1.00 0.00 C ATOM 1255 C THR A 79 2.676 12.170 10.775 1.00 0.00 C ATOM 1256 O THR A 79 3.663 11.571 11.199 1.00 0.00 O ATOM 1257 CB THR A 79 2.295 14.688 10.544 1.00 0.00 C ATOM 1258 OG1 THR A 79 2.851 15.740 9.760 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.867 14.926 11.944 1.00 0.00 C ATOM 0 H THR A 79 1.241 13.664 8.568 1.00 0.00 H new ATOM 0 HA THR A 79 3.914 13.535 9.759 1.00 0.00 H new ATOM 0 HB THR A 79 1.208 14.630 10.600 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.547 16.604 10.109 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.448 15.843 12.357 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.610 14.086 12.590 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.951 15.018 11.883 1.00 0.00 H new ATOM 1267 N ILE A 80 1.422 11.820 11.022 1.00 0.00 N ATOM 1268 CA ILE A 80 1.116 10.659 11.841 1.00 0.00 C ATOM 1269 C ILE A 80 2.092 9.530 11.502 1.00 0.00 C ATOM 1270 O ILE A 80 2.898 9.129 12.339 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.354 10.268 11.688 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -1.247 11.133 12.581 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.555 8.774 11.953 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.711 10.700 12.476 1.00 0.00 C ATOM 0 H ILE A 80 0.606 12.320 10.669 1.00 0.00 H new ATOM 0 HA ILE A 80 1.251 10.891 12.897 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.651 10.455 10.656 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.915 11.057 13.616 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.152 12.180 12.292 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.609 8.523 11.838 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.036 8.196 11.243 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.235 8.538 12.968 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.324 11.330 13.120 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.047 10.800 11.444 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.806 9.660 12.789 1.00 0.00 H new ATOM 1286 N GLU A 81 1.986 9.050 10.271 1.00 0.00 N ATOM 1287 CA GLU A 81 2.848 7.975 9.811 1.00 0.00 C ATOM 1288 C GLU A 81 4.149 8.545 9.240 1.00 0.00 C ATOM 1289 O GLU A 81 4.383 9.751 9.304 1.00 0.00 O ATOM 1290 CB GLU A 81 2.132 7.102 8.778 1.00 0.00 C ATOM 1291 CG GLU A 81 1.955 5.674 9.297 1.00 0.00 C ATOM 1292 CD GLU A 81 3.307 5.028 9.602 1.00 0.00 C ATOM 1293 OE1 GLU A 81 3.500 4.482 10.698 1.00 0.00 O ATOM 1294 OE2 GLU A 81 4.176 5.107 8.650 1.00 0.00 O ATOM 0 H GLU A 81 1.316 9.386 9.579 1.00 0.00 H new ATOM 0 HA GLU A 81 3.095 7.343 10.664 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.158 7.532 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.703 7.087 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.342 5.685 10.198 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.422 5.078 8.556 1.00 0.00 H new ATOM 1302 N THR A 82 4.960 7.651 8.694 1.00 0.00 N ATOM 1303 CA THR A 82 6.230 8.050 8.113 1.00 0.00 C ATOM 1304 C THR A 82 6.330 7.566 6.665 1.00 0.00 C ATOM 1305 O THR A 82 5.322 7.215 6.053 1.00 0.00 O ATOM 1306 CB THR A 82 7.349 7.517 9.010 1.00 0.00 C ATOM 1307 OG1 THR A 82 7.408 6.126 8.704 1.00 0.00 O ATOM 1308 CG2 THR A 82 6.979 7.557 10.494 1.00 0.00 C ATOM 0 H THR A 82 4.762 6.652 8.642 1.00 0.00 H new ATOM 0 HA THR A 82 6.320 9.135 8.067 1.00 0.00 H new ATOM 0 HB THR A 82 8.254 8.101 8.846 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.110 5.702 9.241 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.807 7.168 11.086 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.773 8.586 10.790 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.093 6.946 10.665 1.00 0.00 H new ATOM 1316 N LYS A 83 7.555 7.561 6.159 1.00 0.00 N ATOM 1317 CA LYS A 83 7.799 7.124 4.795 1.00 0.00 C ATOM 1318 C LYS A 83 7.517 5.625 4.686 1.00 0.00 C ATOM 1319 O LYS A 83 7.437 5.084 3.583 1.00 0.00 O ATOM 1320 CB LYS A 83 9.209 7.520 4.351 1.00 0.00 C ATOM 1321 CG LYS A 83 10.268 6.830 5.212 1.00 0.00 C ATOM 1322 CD LYS A 83 10.583 5.430 4.677 1.00 0.00 C ATOM 1323 CE LYS A 83 11.884 5.431 3.870 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.217 4.061 3.424 1.00 0.00 N ATOM 0 H LYS A 83 8.389 7.853 6.669 1.00 0.00 H new ATOM 0 HA LYS A 83 7.120 7.626 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.354 7.251 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.326 8.601 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.177 7.431 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.916 6.759 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.667 4.730 5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.762 5.083 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.782 6.087 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.696 5.829 4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.238 3.996 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.958 3.381 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.690 3.841 2.555 1.00 0.00 H new ATOM 1337 N SER A 84 7.375 4.995 5.843 1.00 0.00 N ATOM 1338 CA SER A 84 7.104 3.569 5.891 1.00 0.00 C ATOM 1339 C SER A 84 5.743 3.273 5.256 1.00 0.00 C ATOM 1340 O SER A 84 5.633 2.405 4.392 1.00 0.00 O ATOM 1341 CB SER A 84 7.142 3.048 7.329 1.00 0.00 C ATOM 1342 OG SER A 84 8.303 2.260 7.580 1.00 0.00 O ATOM 0 H SER A 84 7.443 5.447 6.755 1.00 0.00 H new ATOM 0 HA SER A 84 7.882 3.055 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.119 3.890 8.021 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.250 2.452 7.523 1.00 0.00 H new ATOM 0 HG SER A 84 8.292 1.947 8.509 1.00 0.00 H new ATOM 1348 N VAL A 85 4.741 4.012 5.710 1.00 0.00 N ATOM 1349 CA VAL A 85 3.393 3.841 5.197 1.00 0.00 C ATOM 1350 C VAL A 85 3.257 4.590 3.870 1.00 0.00 C ATOM 1351 O VAL A 85 2.646 4.085 2.927 1.00 0.00 O ATOM 1352 CB VAL A 85 2.373 4.292 6.245 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.071 4.746 5.583 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.111 3.184 7.267 1.00 0.00 C ATOM 0 H VAL A 85 4.836 4.731 6.428 1.00 0.00 H new ATOM 0 HA VAL A 85 3.191 2.788 4.998 1.00 0.00 H new ATOM 0 HB VAL A 85 2.794 5.146 6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.364 5.061 6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.275 5.581 4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.645 3.920 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.383 3.530 8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.721 2.303 6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.042 2.928 7.773 1.00 0.00 H new ATOM 1364 N LEU A 86 3.835 5.780 3.837 1.00 0.00 N ATOM 1365 CA LEU A 86 3.786 6.604 2.641 1.00 0.00 C ATOM 1366 C LEU A 86 4.543 5.901 1.511 1.00 0.00 C ATOM 1367 O LEU A 86 4.346 6.214 0.339 1.00 0.00 O ATOM 1368 CB LEU A 86 4.299 8.014 2.939 1.00 0.00 C ATOM 1369 CG LEU A 86 3.359 8.912 3.746 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.337 8.080 4.522 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.150 9.849 4.662 1.00 0.00 C ATOM 0 H LEU A 86 4.341 6.195 4.620 1.00 0.00 H new ATOM 0 HA LEU A 86 2.756 6.729 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.242 7.930 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.517 8.508 1.992 1.00 0.00 H new ATOM 0 HG LEU A 86 2.801 9.537 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.682 8.743 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.743 7.490 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.857 7.413 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.459 10.477 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.751 9.259 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.805 10.479 4.060 1.00 0.00 H new ATOM 1383 N GLU A 87 5.392 4.963 1.906 1.00 0.00 N ATOM 1384 CA GLU A 87 6.179 4.214 0.942 1.00 0.00 C ATOM 1385 C GLU A 87 5.262 3.414 0.015 1.00 0.00 C ATOM 1386 O GLU A 87 5.367 3.515 -1.207 1.00 0.00 O ATOM 1387 CB GLU A 87 7.181 3.296 1.646 1.00 0.00 C ATOM 1388 CG GLU A 87 8.595 3.876 1.581 1.00 0.00 C ATOM 1389 CD GLU A 87 9.466 3.088 0.600 1.00 0.00 C ATOM 1390 OE1 GLU A 87 8.944 2.503 -0.360 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.729 3.098 0.863 1.00 0.00 O ATOM 0 H GLU A 87 5.552 4.705 2.880 1.00 0.00 H new ATOM 0 HA GLU A 87 6.747 4.922 0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.887 3.161 2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.166 2.311 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.550 4.921 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.047 3.854 2.573 1.00 0.00 H new ATOM 1399 N LYS A 88 4.383 2.637 0.630 1.00 0.00 N ATOM 1400 CA LYS A 88 3.447 1.820 -0.124 1.00 0.00 C ATOM 1401 C LYS A 88 2.642 2.715 -1.068 1.00 0.00 C ATOM 1402 O LYS A 88 2.287 2.301 -2.170 1.00 0.00 O ATOM 1403 CB LYS A 88 2.582 0.986 0.821 1.00 0.00 C ATOM 1404 CG LYS A 88 1.570 1.866 1.559 1.00 0.00 C ATOM 1405 CD LYS A 88 1.677 1.672 3.073 1.00 0.00 C ATOM 1406 CE LYS A 88 1.147 0.298 3.488 1.00 0.00 C ATOM 1407 NZ LYS A 88 1.075 0.194 4.963 1.00 0.00 N ATOM 0 H LYS A 88 4.299 2.556 1.643 1.00 0.00 H new ATOM 0 HA LYS A 88 3.982 1.101 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.056 0.217 0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.217 0.472 1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.743 2.913 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.561 1.622 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.717 1.774 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.114 2.453 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.158 0.138 3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.797 -0.483 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.713 -0.745 5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.024 0.326 5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.437 0.928 5.332 1.00 0.00 H new ATOM 1420 N ASN A 89 2.376 3.927 -0.600 1.00 0.00 N ATOM 1421 CA ASN A 89 1.619 4.884 -1.388 1.00 0.00 C ATOM 1422 C ASN A 89 2.484 6.118 -1.653 1.00 0.00 C ATOM 1423 O ASN A 89 2.479 7.064 -0.867 1.00 0.00 O ATOM 1424 CB ASN A 89 0.362 5.339 -0.644 1.00 0.00 C ATOM 1425 CG ASN A 89 -0.288 6.534 -1.344 1.00 0.00 C ATOM 1426 OD1 ASN A 89 -0.168 7.673 -0.924 1.00 0.00 O ATOM 1427 ND2 ASN A 89 -0.982 6.211 -2.432 1.00 0.00 N ATOM 0 H ASN A 89 2.672 4.267 0.315 1.00 0.00 H new ATOM 0 HA ASN A 89 1.330 4.399 -2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.349 4.515 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.619 5.609 0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -1.454 6.938 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -1.042 5.237 -2.728 1.00 0.00 H new