USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=17 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 69 LYS NZ :NH3+ 175:sc= -1.87 (180deg=-1.91) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= -0.719 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc=-0.00878 USER MOD Single : A 10 ASN : amide:sc= -0.0625 X(o=-0.062,f=-0.49) USER MOD Single : A 11 ASN : amide:sc= -8.34! C(o=-8.3!,f=-14!) USER MOD Single : A 15 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.15) USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= -0.0816 (180deg=-0.636) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0582 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 31 SER OG : rot 23:sc= 1.29 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= -0.0674 (180deg=-0.167) USER MOD Single : A 44 ASN : amide:sc= -0.0922 K(o=-0.092,f=-2.1!) USER MOD Single : A 46 ASN : amide:sc= -3.67 K(o=-3.7,f=-18!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 54 THR OG1 : rot 34:sc= 1.14 USER MOD Single : A 57 GLN : amide:sc=-0.00564 K(o=-0.0056,f=-0.62) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.126 K(o=0.13,f=-2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -149:sc= -0.0886 (180deg=-0.418) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -176:sc= -0.334 (180deg=-0.335) USER MOD Single : A 89 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 -11.561 -12.304 -6.359 1.00 0.00 N ATOM 19 CA ASP A 2 -12.590 -12.393 -5.339 1.00 0.00 C ATOM 20 C ASP A 2 -12.042 -11.850 -4.018 1.00 0.00 C ATOM 21 O ASP A 2 -10.932 -12.194 -3.615 1.00 0.00 O ATOM 22 CB ASP A 2 -13.018 -13.845 -5.111 1.00 0.00 C ATOM 23 CG ASP A 2 -14.526 -14.092 -5.172 1.00 0.00 C ATOM 24 OD1 ASP A 2 -15.043 -14.652 -6.151 1.00 0.00 O ATOM 25 OD2 ASP A 2 -15.188 -13.679 -4.145 1.00 0.00 O ATOM 0 HA ASP A 2 -13.449 -11.813 -5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.532 -14.473 -5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.651 -14.167 -4.136 1.00 0.00 H new ATOM 31 N ILE A 3 -12.845 -11.011 -3.381 1.00 0.00 N ATOM 32 CA ILE A 3 -12.455 -10.416 -2.114 1.00 0.00 C ATOM 33 C ILE A 3 -13.623 -10.508 -1.131 1.00 0.00 C ATOM 34 O ILE A 3 -14.778 -10.337 -1.516 1.00 0.00 O ATOM 35 CB ILE A 3 -11.939 -8.991 -2.327 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.464 -8.996 -2.733 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.191 -8.127 -1.089 1.00 0.00 C ATOM 38 CD1 ILE A 3 -9.946 -7.570 -2.932 1.00 0.00 C ATOM 0 H ILE A 3 -13.765 -10.729 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.624 -10.968 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.497 -8.545 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.874 -9.498 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.339 -9.564 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.815 -7.119 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.261 -8.085 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.676 -8.561 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.895 -7.601 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.523 -7.080 -3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.051 -7.012 -2.002 1.00 0.00 H new ATOM 50 N SER A 4 -13.281 -10.776 0.121 1.00 0.00 N ATOM 51 CA SER A 4 -14.287 -10.892 1.163 1.00 0.00 C ATOM 52 C SER A 4 -13.886 -10.049 2.375 1.00 0.00 C ATOM 53 O SER A 4 -12.774 -10.176 2.883 1.00 0.00 O ATOM 54 CB SER A 4 -14.488 -12.352 1.575 1.00 0.00 C ATOM 55 OG SER A 4 -15.867 -12.709 1.622 1.00 0.00 O ATOM 0 H SER A 4 -12.321 -10.916 0.437 1.00 0.00 H new ATOM 0 HA SER A 4 -15.232 -10.521 0.767 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.969 -13.002 0.871 1.00 0.00 H new ATOM 0 HB3 SER A 4 -14.037 -12.518 2.553 1.00 0.00 H new ATOM 0 HG SER A 4 -15.953 -13.649 1.887 1.00 0.00 H new ATOM 61 N ILE A 5 -14.815 -9.207 2.803 1.00 0.00 N ATOM 62 CA ILE A 5 -14.571 -8.343 3.945 1.00 0.00 C ATOM 63 C ILE A 5 -14.625 -9.174 5.229 1.00 0.00 C ATOM 64 O ILE A 5 -15.460 -10.068 5.359 1.00 0.00 O ATOM 65 CB ILE A 5 -15.541 -7.159 3.939 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.572 -6.484 2.566 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.207 -6.170 5.056 1.00 0.00 C ATOM 68 CD1 ILE A 5 -14.164 -6.083 2.119 1.00 0.00 C ATOM 0 H ILE A 5 -15.737 -9.105 2.380 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.573 -7.909 3.887 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.544 -7.538 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -16.011 -7.162 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.210 -5.601 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.912 -5.339 5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.277 -6.673 6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.194 -5.792 4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.215 -5.606 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.738 -5.386 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.535 -6.971 2.057 1.00 0.00 H new ATOM 80 N ILE A 6 -13.724 -8.850 6.145 1.00 0.00 N ATOM 81 CA ILE A 6 -13.659 -9.555 7.413 1.00 0.00 C ATOM 82 C ILE A 6 -14.251 -8.673 8.514 1.00 0.00 C ATOM 83 O ILE A 6 -15.189 -9.075 9.200 1.00 0.00 O ATOM 84 CB ILE A 6 -12.228 -10.015 7.697 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.701 -10.897 6.563 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.136 -10.714 9.055 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.221 -12.330 6.694 1.00 0.00 C ATOM 0 H ILE A 6 -13.033 -8.108 6.034 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.260 -10.463 7.375 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.589 -9.133 7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.007 -10.482 5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.611 -10.899 6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.108 -11.031 9.232 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.444 -10.024 9.841 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.791 -11.586 9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.831 -12.935 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.893 -12.751 7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.310 -12.327 6.656 1.00 0.00 H new ATOM 99 N SER A 7 -13.678 -7.486 8.648 1.00 0.00 N ATOM 100 CA SER A 7 -14.137 -6.543 9.654 1.00 0.00 C ATOM 101 C SER A 7 -14.091 -5.119 9.096 1.00 0.00 C ATOM 102 O SER A 7 -13.388 -4.853 8.123 1.00 0.00 O ATOM 103 CB SER A 7 -13.294 -6.642 10.927 1.00 0.00 C ATOM 104 OG SER A 7 -12.986 -7.992 11.261 1.00 0.00 O ATOM 0 H SER A 7 -12.900 -7.156 8.077 1.00 0.00 H new ATOM 0 HA SER A 7 -15.166 -6.792 9.912 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.369 -6.082 10.793 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.831 -6.178 11.754 1.00 0.00 H new ATOM 0 HG SER A 7 -12.446 -8.012 12.078 1.00 0.00 H new ATOM 110 N ASP A 8 -14.850 -4.242 9.737 1.00 0.00 N ATOM 111 CA ASP A 8 -14.904 -2.853 9.317 1.00 0.00 C ATOM 112 C ASP A 8 -14.786 -1.947 10.545 1.00 0.00 C ATOM 113 O ASP A 8 -15.787 -1.625 11.183 1.00 0.00 O ATOM 114 CB ASP A 8 -16.233 -2.538 8.626 1.00 0.00 C ATOM 115 CG ASP A 8 -17.475 -2.715 9.501 1.00 0.00 C ATOM 116 OD1 ASP A 8 -18.104 -1.732 9.923 1.00 0.00 O ATOM 117 OD2 ASP A 8 -17.797 -3.939 9.750 1.00 0.00 O ATOM 0 H ASP A 8 -15.432 -4.467 10.544 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.084 -2.680 8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.204 -1.509 8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.330 -3.179 7.750 1.00 0.00 H new ATOM 123 N ARG A 9 -13.553 -1.564 10.840 1.00 0.00 N ATOM 124 CA ARG A 9 -13.289 -0.703 11.980 1.00 0.00 C ATOM 125 C ARG A 9 -13.161 0.754 11.527 1.00 0.00 C ATOM 126 O ARG A 9 -12.806 1.022 10.381 1.00 0.00 O ATOM 127 CB ARG A 9 -12.005 -1.120 12.700 1.00 0.00 C ATOM 128 CG ARG A 9 -12.318 -1.988 13.921 1.00 0.00 C ATOM 129 CD ARG A 9 -11.842 -1.313 15.209 1.00 0.00 C ATOM 130 NE ARG A 9 -11.210 -2.312 16.100 1.00 0.00 N ATOM 131 CZ ARG A 9 -11.898 -3.197 16.853 1.00 0.00 C ATOM 132 NH1 ARG A 9 -13.247 -3.213 16.831 1.00 0.00 N ATOM 133 NH2 ARG A 9 -11.230 -4.045 17.614 1.00 0.00 N ATOM 0 H ARG A 9 -12.725 -1.834 10.309 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.127 -0.801 12.670 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.361 -1.670 12.014 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.454 -0.233 13.012 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.391 -2.170 13.977 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.835 -2.959 13.815 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.130 -0.522 14.973 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.685 -0.843 15.716 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.191 -2.333 16.148 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.755 -2.553 16.242 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.758 -3.885 17.403 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.210 -4.025 17.627 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.734 -4.720 18.189 1.00 0.00 H new ATOM 146 N ASN A 10 -13.460 1.655 12.451 1.00 0.00 N ATOM 147 CA ASN A 10 -13.383 3.076 12.162 1.00 0.00 C ATOM 148 C ASN A 10 -12.571 3.773 13.256 1.00 0.00 C ATOM 149 O ASN A 10 -12.921 3.704 14.433 1.00 0.00 O ATOM 150 CB ASN A 10 -14.776 3.708 12.133 1.00 0.00 C ATOM 151 CG ASN A 10 -14.693 5.227 12.297 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.860 5.896 11.707 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.600 5.733 13.127 1.00 0.00 N ATOM 0 H ASN A 10 -13.756 1.428 13.400 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.911 3.196 11.187 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.269 3.467 11.191 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.388 3.286 12.930 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.627 6.738 13.302 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.269 5.117 13.589 1.00 0.00 H new ATOM 160 N ASN A 11 -11.501 4.427 12.828 1.00 0.00 N ATOM 161 CA ASN A 11 -10.636 5.135 13.756 1.00 0.00 C ATOM 162 C ASN A 11 -10.541 6.604 13.339 1.00 0.00 C ATOM 163 O ASN A 11 -9.686 6.970 12.534 1.00 0.00 O ATOM 164 CB ASN A 11 -9.223 4.548 13.749 1.00 0.00 C ATOM 165 CG ASN A 11 -8.605 4.626 12.351 1.00 0.00 C ATOM 166 OD1 ASN A 11 -7.822 5.508 12.039 1.00 0.00 O ATOM 167 ND2 ASN A 11 -8.999 3.656 11.531 1.00 0.00 N ATOM 0 H ASN A 11 -11.214 4.481 11.851 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.061 5.038 14.755 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.597 5.089 14.458 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.255 3.510 14.079 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.643 3.619 10.576 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.657 2.949 11.857 1.00 0.00 H new ATOM 174 N PRO A 12 -11.453 7.426 13.922 1.00 0.00 N ATOM 175 CA PRO A 12 -11.481 8.847 13.619 1.00 0.00 C ATOM 176 C PRO A 12 -10.328 9.578 14.312 1.00 0.00 C ATOM 177 O PRO A 12 -9.809 10.563 13.789 1.00 0.00 O ATOM 178 CB PRO A 12 -12.848 9.322 14.081 1.00 0.00 C ATOM 179 CG PRO A 12 -13.355 8.260 15.043 1.00 0.00 C ATOM 180 CD PRO A 12 -12.480 7.028 14.880 1.00 0.00 C ATOM 0 HA PRO A 12 -11.341 9.053 12.558 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.779 10.293 14.572 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.527 9.440 13.236 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.314 8.624 16.070 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.397 8.019 14.831 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.039 6.727 15.830 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.056 6.179 14.513 1.00 0.00 H new ATOM 188 N LEU A 13 -9.963 9.068 15.478 1.00 0.00 N ATOM 189 CA LEU A 13 -8.881 9.658 16.248 1.00 0.00 C ATOM 190 C LEU A 13 -7.756 10.078 15.300 1.00 0.00 C ATOM 191 O LEU A 13 -7.410 11.256 15.226 1.00 0.00 O ATOM 192 CB LEU A 13 -8.429 8.705 17.357 1.00 0.00 C ATOM 193 CG LEU A 13 -9.459 8.410 18.449 1.00 0.00 C ATOM 194 CD1 LEU A 13 -10.125 7.051 18.220 1.00 0.00 C ATOM 195 CD2 LEU A 13 -8.830 8.513 19.839 1.00 0.00 C ATOM 0 H LEU A 13 -10.397 8.252 15.909 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.223 10.560 16.756 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.134 7.761 16.899 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.539 9.123 17.828 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.242 9.166 18.394 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.853 6.865 19.010 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.630 7.051 17.254 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.367 6.268 18.233 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.584 8.299 20.596 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.016 7.794 19.924 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.441 9.520 19.989 1.00 0.00 H new ATOM 207 N LEU A 14 -7.216 9.091 14.601 1.00 0.00 N ATOM 208 CA LEU A 14 -6.137 9.342 13.661 1.00 0.00 C ATOM 209 C LEU A 14 -6.719 9.901 12.362 1.00 0.00 C ATOM 210 O LEU A 14 -6.004 10.516 11.571 1.00 0.00 O ATOM 211 CB LEU A 14 -5.293 8.081 13.465 1.00 0.00 C ATOM 212 CG LEU A 14 -4.649 7.502 14.727 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.233 6.046 14.510 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.480 8.370 15.194 1.00 0.00 C ATOM 0 H LEU A 14 -7.506 8.115 14.667 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.455 10.095 14.055 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.923 7.312 13.017 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.503 8.304 12.748 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.392 7.509 15.525 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.778 5.658 15.421 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.111 5.450 14.260 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.513 5.991 13.693 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.041 7.936 16.092 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.726 8.418 14.408 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.839 9.375 15.415 1.00 0.00 H new ATOM 226 N GLN A 15 -8.010 9.668 12.180 1.00 0.00 N ATOM 227 CA GLN A 15 -8.695 10.140 10.989 1.00 0.00 C ATOM 228 C GLN A 15 -8.495 9.156 9.836 1.00 0.00 C ATOM 229 O GLN A 15 -8.526 9.547 8.669 1.00 0.00 O ATOM 230 CB GLN A 15 -8.221 11.542 10.603 1.00 0.00 C ATOM 231 CG GLN A 15 -9.400 12.431 10.205 1.00 0.00 C ATOM 232 CD GLN A 15 -9.337 13.781 10.923 1.00 0.00 C ATOM 233 OE1 GLN A 15 -9.446 14.838 10.323 1.00 0.00 O ATOM 234 NE2 GLN A 15 -9.153 13.688 12.236 1.00 0.00 N ATOM 0 H GLN A 15 -8.600 9.158 12.838 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.761 10.201 11.207 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.688 11.993 11.440 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.516 11.476 9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.393 12.588 9.126 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.337 11.929 10.448 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.070 12.771 12.676 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.095 14.533 12.804 1.00 0.00 H new ATOM 243 N ARG A 16 -8.294 7.898 10.200 1.00 0.00 N ATOM 244 CA ARG A 16 -8.088 6.855 9.210 1.00 0.00 C ATOM 245 C ARG A 16 -9.132 5.750 9.379 1.00 0.00 C ATOM 246 O ARG A 16 -9.866 5.730 10.366 1.00 0.00 O ATOM 247 CB ARG A 16 -6.689 6.249 9.332 1.00 0.00 C ATOM 248 CG ARG A 16 -5.628 7.343 9.471 1.00 0.00 C ATOM 249 CD ARG A 16 -4.790 7.460 8.196 1.00 0.00 C ATOM 250 NE ARG A 16 -3.794 8.545 8.342 1.00 0.00 N ATOM 251 CZ ARG A 16 -4.101 9.859 8.337 1.00 0.00 C ATOM 252 NH1 ARG A 16 -5.381 10.264 8.192 1.00 0.00 N ATOM 253 NH2 ARG A 16 -3.131 10.744 8.475 1.00 0.00 N ATOM 0 H ARG A 16 -8.269 7.577 11.168 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.190 7.308 8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.650 5.587 10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.475 5.639 8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.110 8.297 9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.979 7.120 10.318 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.284 6.516 7.996 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.438 7.662 7.343 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.814 8.283 8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.125 9.575 8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.604 11.259 8.189 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.166 10.431 8.583 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.346 11.741 8.473 1.00 0.00 H new ATOM 266 N ARG A 17 -9.164 4.856 8.402 1.00 0.00 N ATOM 267 CA ARG A 17 -10.106 3.749 8.430 1.00 0.00 C ATOM 268 C ARG A 17 -9.365 2.418 8.292 1.00 0.00 C ATOM 269 O ARG A 17 -8.644 2.205 7.319 1.00 0.00 O ATOM 270 CB ARG A 17 -11.135 3.874 7.305 1.00 0.00 C ATOM 271 CG ARG A 17 -12.400 3.076 7.628 1.00 0.00 C ATOM 272 CD ARG A 17 -13.637 3.976 7.604 1.00 0.00 C ATOM 273 NE ARG A 17 -14.801 3.225 7.085 1.00 0.00 N ATOM 274 CZ ARG A 17 -15.983 3.790 6.760 1.00 0.00 C ATOM 275 NH1 ARG A 17 -16.168 5.119 6.900 1.00 0.00 N ATOM 276 NH2 ARG A 17 -16.955 3.022 6.305 1.00 0.00 N ATOM 0 H ARG A 17 -8.553 4.875 7.586 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.627 3.780 9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.391 4.923 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.703 3.515 6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.519 2.269 6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.302 2.613 8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.849 4.343 8.608 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.449 4.849 6.979 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.704 2.217 6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.412 5.705 7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.064 5.538 6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.807 2.018 6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.855 3.432 6.055 1.00 0.00 H new ATOM 289 N GLU A 18 -9.570 1.558 9.278 1.00 0.00 N ATOM 290 CA GLU A 18 -8.930 0.253 9.277 1.00 0.00 C ATOM 291 C GLU A 18 -9.957 -0.841 8.981 1.00 0.00 C ATOM 292 O GLU A 18 -10.796 -1.156 9.825 1.00 0.00 O ATOM 293 CB GLU A 18 -8.218 -0.008 10.606 1.00 0.00 C ATOM 294 CG GLU A 18 -7.013 0.920 10.774 1.00 0.00 C ATOM 295 CD GLU A 18 -6.204 0.547 12.018 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.329 1.208 13.060 1.00 0.00 O ATOM 297 OE2 GLU A 18 -5.423 -0.470 11.876 1.00 0.00 O ATOM 0 H GLU A 18 -10.170 1.739 10.083 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.177 0.239 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.914 0.141 11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.890 -1.047 10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.377 0.860 9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.353 1.953 10.853 1.00 0.00 H new ATOM 305 N ILE A 19 -9.858 -1.391 7.780 1.00 0.00 N ATOM 306 CA ILE A 19 -10.769 -2.444 7.362 1.00 0.00 C ATOM 307 C ILE A 19 -9.961 -3.664 6.916 1.00 0.00 C ATOM 308 O ILE A 19 -9.025 -3.539 6.127 1.00 0.00 O ATOM 309 CB ILE A 19 -11.735 -1.924 6.296 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.495 -0.695 6.798 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.683 -3.031 5.828 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.764 -0.461 5.975 1.00 0.00 C ATOM 0 H ILE A 19 -9.161 -1.128 7.083 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.393 -2.762 8.197 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.152 -1.611 5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.757 -0.829 7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.852 0.183 6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.359 -2.635 5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.104 -3.851 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.262 -3.396 6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.286 0.419 6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.496 -0.303 4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.415 -1.331 6.055 1.00 0.00 H new ATOM 324 N LYS A 20 -10.351 -4.816 7.440 1.00 0.00 N ATOM 325 CA LYS A 20 -9.674 -6.058 7.107 1.00 0.00 C ATOM 326 C LYS A 20 -10.537 -6.857 6.127 1.00 0.00 C ATOM 327 O LYS A 20 -11.764 -6.826 6.208 1.00 0.00 O ATOM 328 CB LYS A 20 -9.312 -6.829 8.377 1.00 0.00 C ATOM 329 CG LYS A 20 -7.894 -7.399 8.287 1.00 0.00 C ATOM 330 CD LYS A 20 -7.915 -8.841 7.775 1.00 0.00 C ATOM 331 CE LYS A 20 -8.845 -9.711 8.623 1.00 0.00 C ATOM 332 NZ LYS A 20 -8.194 -10.999 8.951 1.00 0.00 N ATOM 0 H LYS A 20 -11.128 -4.916 8.093 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.728 -5.853 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.389 -6.169 9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.025 -7.639 8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.291 -6.781 7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.421 -7.364 9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.244 -8.857 6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.906 -9.253 7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.108 -9.185 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.774 -9.894 8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.663 -11.425 9.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.270 -11.643 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.191 -10.835 9.170 1.00 0.00 H new ATOM 345 N PHE A 21 -9.861 -7.554 5.226 1.00 0.00 N ATOM 346 CA PHE A 21 -10.551 -8.359 4.232 1.00 0.00 C ATOM 347 C PHE A 21 -9.652 -9.488 3.722 1.00 0.00 C ATOM 348 O PHE A 21 -8.509 -9.619 4.154 1.00 0.00 O ATOM 349 CB PHE A 21 -10.896 -7.431 3.065 1.00 0.00 C ATOM 350 CG PHE A 21 -9.697 -7.056 2.192 1.00 0.00 C ATOM 351 CD1 PHE A 21 -8.944 -5.968 2.503 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.386 -7.810 1.105 1.00 0.00 C ATOM 353 CE1 PHE A 21 -7.831 -5.618 1.693 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.273 -7.462 0.294 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.519 -6.373 0.606 1.00 0.00 C ATOM 0 H PHE A 21 -8.843 -7.578 5.163 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.442 -8.809 4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.649 -7.913 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.344 -6.519 3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.192 -5.369 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.985 -8.674 0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.233 -4.753 1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.025 -8.061 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.672 -6.108 -0.010 1.00 0.00 H new ATOM 365 N THR A 22 -10.204 -10.273 2.809 1.00 0.00 N ATOM 366 CA THR A 22 -9.467 -11.386 2.235 1.00 0.00 C ATOM 367 C THR A 22 -9.587 -11.375 0.709 1.00 0.00 C ATOM 368 O THR A 22 -10.505 -10.768 0.160 1.00 0.00 O ATOM 369 CB THR A 22 -9.983 -12.676 2.876 1.00 0.00 C ATOM 370 OG1 THR A 22 -9.031 -12.961 3.896 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.889 -13.877 1.933 1.00 0.00 C ATOM 0 H THR A 22 -11.153 -10.161 2.452 1.00 0.00 H new ATOM 0 HA THR A 22 -8.401 -11.305 2.446 1.00 0.00 H new ATOM 0 HB THR A 22 -11.019 -12.538 3.186 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.289 -13.782 4.364 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.268 -14.766 2.437 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.483 -13.685 1.040 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.849 -14.036 1.649 1.00 0.00 H new ATOM 379 N VAL A 23 -8.647 -12.055 0.069 1.00 0.00 N ATOM 380 CA VAL A 23 -8.636 -12.131 -1.382 1.00 0.00 C ATOM 381 C VAL A 23 -8.375 -13.576 -1.810 1.00 0.00 C ATOM 382 O VAL A 23 -7.442 -14.213 -1.325 1.00 0.00 O ATOM 383 CB VAL A 23 -7.614 -11.145 -1.950 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.267 -11.277 -1.234 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.452 -11.332 -3.461 1.00 0.00 C ATOM 0 H VAL A 23 -7.888 -12.558 0.528 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.606 -11.842 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.989 -10.137 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.559 -10.565 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.398 -11.071 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.884 -12.289 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.720 -10.619 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.111 -12.346 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.410 -11.164 -3.953 1.00 0.00 H new ATOM 395 N SER A 24 -9.217 -14.052 -2.716 1.00 0.00 N ATOM 396 CA SER A 24 -9.089 -15.411 -3.216 1.00 0.00 C ATOM 397 C SER A 24 -8.775 -15.391 -4.712 1.00 0.00 C ATOM 398 O SER A 24 -9.403 -14.655 -5.472 1.00 0.00 O ATOM 399 CB SER A 24 -10.361 -16.217 -2.951 1.00 0.00 C ATOM 400 OG SER A 24 -10.617 -17.166 -3.983 1.00 0.00 O ATOM 0 H SER A 24 -9.990 -13.521 -3.117 1.00 0.00 H new ATOM 0 HA SER A 24 -8.268 -15.894 -2.686 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.269 -16.735 -1.997 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.209 -15.538 -2.865 1.00 0.00 H new ATOM 0 HG SER A 24 -11.437 -17.661 -3.776 1.00 0.00 H new ATOM 406 N PHE A 25 -7.803 -16.209 -5.092 1.00 0.00 N ATOM 407 CA PHE A 25 -7.399 -16.293 -6.485 1.00 0.00 C ATOM 408 C PHE A 25 -6.416 -17.446 -6.701 1.00 0.00 C ATOM 409 O PHE A 25 -5.640 -17.781 -5.807 1.00 0.00 O ATOM 410 CB PHE A 25 -6.705 -14.975 -6.831 1.00 0.00 C ATOM 411 CG PHE A 25 -5.225 -14.932 -6.445 1.00 0.00 C ATOM 412 CD1 PHE A 25 -4.317 -15.658 -7.150 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.817 -14.167 -5.396 1.00 0.00 C ATOM 414 CE1 PHE A 25 -2.943 -15.617 -6.792 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.444 -14.126 -5.039 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.536 -14.853 -5.744 1.00 0.00 C ATOM 0 H PHE A 25 -7.284 -16.819 -4.460 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.271 -16.470 -7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.796 -14.799 -7.903 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.225 -14.159 -6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.640 -16.266 -7.982 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.538 -13.591 -4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.222 -16.193 -7.353 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.120 -13.518 -4.208 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.491 -14.823 -5.471 1.00 0.00 H new ATOM 426 N ASP A 26 -6.481 -18.021 -7.892 1.00 0.00 N ATOM 427 CA ASP A 26 -5.605 -19.129 -8.237 1.00 0.00 C ATOM 428 C ASP A 26 -4.816 -18.776 -9.500 1.00 0.00 C ATOM 429 O ASP A 26 -5.259 -19.059 -10.612 1.00 0.00 O ATOM 430 CB ASP A 26 -6.410 -20.399 -8.522 1.00 0.00 C ATOM 431 CG ASP A 26 -7.773 -20.167 -9.177 1.00 0.00 C ATOM 432 OD1 ASP A 26 -7.864 -19.899 -10.384 1.00 0.00 O ATOM 433 OD2 ASP A 26 -8.784 -20.272 -8.383 1.00 0.00 O ATOM 0 H ASP A 26 -7.126 -17.741 -8.631 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.937 -19.306 -7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.819 -21.048 -9.168 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.561 -20.934 -7.584 1.00 0.00 H new ATOM 439 N ALA A 27 -3.661 -18.163 -9.286 1.00 0.00 N ATOM 440 CA ALA A 27 -2.806 -17.769 -10.393 1.00 0.00 C ATOM 441 C ALA A 27 -1.611 -16.983 -9.852 1.00 0.00 C ATOM 442 O ALA A 27 -0.519 -17.530 -9.703 1.00 0.00 O ATOM 443 CB ALA A 27 -3.623 -16.966 -11.407 1.00 0.00 C ATOM 0 H ALA A 27 -3.297 -17.929 -8.362 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.417 -18.646 -10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.982 -16.670 -12.238 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.443 -17.579 -11.781 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.027 -16.076 -10.925 1.00 0.00 H new ATOM 449 N ALA A 28 -1.856 -15.711 -9.575 1.00 0.00 N ATOM 450 CA ALA A 28 -0.813 -14.843 -9.054 1.00 0.00 C ATOM 451 C ALA A 28 -1.435 -13.523 -8.597 1.00 0.00 C ATOM 452 O ALA A 28 -2.507 -13.142 -9.065 1.00 0.00 O ATOM 453 CB ALA A 28 0.263 -14.641 -10.124 1.00 0.00 C ATOM 0 H ALA A 28 -2.762 -15.260 -9.702 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.332 -15.297 -8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.046 -13.990 -9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.694 -15.605 -10.394 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.183 -14.183 -11.007 1.00 0.00 H new ATOM 459 N THR A 29 -0.736 -12.859 -7.687 1.00 0.00 N ATOM 460 CA THR A 29 -1.206 -11.590 -7.161 1.00 0.00 C ATOM 461 C THR A 29 -0.853 -10.451 -8.120 1.00 0.00 C ATOM 462 O THR A 29 0.246 -10.418 -8.671 1.00 0.00 O ATOM 463 CB THR A 29 -0.616 -11.409 -5.761 1.00 0.00 C ATOM 464 OG1 THR A 29 -1.424 -10.396 -5.171 1.00 0.00 O ATOM 465 CG2 THR A 29 0.786 -10.797 -5.791 1.00 0.00 C ATOM 0 H THR A 29 0.153 -13.177 -7.301 1.00 0.00 H new ATOM 0 HA THR A 29 -2.293 -11.577 -7.076 1.00 0.00 H new ATOM 0 HB THR A 29 -0.580 -12.374 -5.255 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.111 -10.218 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.158 -10.690 -4.772 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.455 -11.447 -6.355 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.745 -9.817 -6.267 1.00 0.00 H new ATOM 473 N PRO A 30 -1.830 -9.522 -8.295 1.00 0.00 N ATOM 474 CA PRO A 30 -1.634 -8.384 -9.178 1.00 0.00 C ATOM 475 C PRO A 30 -0.712 -7.346 -8.536 1.00 0.00 C ATOM 476 O PRO A 30 0.505 -7.400 -8.706 1.00 0.00 O ATOM 477 CB PRO A 30 -3.031 -7.852 -9.452 1.00 0.00 C ATOM 478 CG PRO A 30 -3.914 -8.415 -8.350 1.00 0.00 C ATOM 479 CD PRO A 30 -3.144 -9.529 -7.658 1.00 0.00 C ATOM 0 HA PRO A 30 -1.137 -8.654 -10.110 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.043 -6.762 -9.444 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.383 -8.167 -10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.179 -7.634 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.846 -8.797 -8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.065 -9.349 -6.586 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.640 -10.491 -7.784 1.00 0.00 H new ATOM 487 N SER A 31 -1.328 -6.422 -7.813 1.00 0.00 N ATOM 488 CA SER A 31 -0.578 -5.372 -7.145 1.00 0.00 C ATOM 489 C SER A 31 -1.497 -4.591 -6.203 1.00 0.00 C ATOM 490 O SER A 31 -2.693 -4.868 -6.126 1.00 0.00 O ATOM 491 CB SER A 31 0.068 -4.426 -8.159 1.00 0.00 C ATOM 492 OG SER A 31 1.297 -4.944 -8.663 1.00 0.00 O ATOM 0 H SER A 31 -2.338 -6.379 -7.675 1.00 0.00 H new ATOM 0 HA SER A 31 0.218 -5.837 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.621 -4.256 -8.987 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.247 -3.459 -7.690 1.00 0.00 H new ATOM 0 HG SER A 31 1.310 -5.918 -8.555 1.00 0.00 H new ATOM 498 N ILE A 32 -0.903 -3.632 -5.508 1.00 0.00 N ATOM 499 CA ILE A 32 -1.653 -2.809 -4.575 1.00 0.00 C ATOM 500 C ILE A 32 -2.616 -1.911 -5.352 1.00 0.00 C ATOM 501 O ILE A 32 -3.824 -1.947 -5.128 1.00 0.00 O ATOM 502 CB ILE A 32 -0.703 -2.041 -3.654 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.497 -2.906 -3.260 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.444 -1.499 -2.430 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.179 -2.358 -2.004 1.00 0.00 C ATOM 0 H ILE A 32 0.090 -3.407 -5.573 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.259 -3.434 -3.919 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.316 -1.182 -4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.169 -3.930 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.212 -2.938 -4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.745 -0.957 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.237 -0.825 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.878 -2.328 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.028 -2.991 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.527 -1.343 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.468 -2.350 -1.178 1.00 0.00 H new ATOM 517 N LYS A 33 -2.044 -1.124 -6.252 1.00 0.00 N ATOM 518 CA LYS A 33 -2.836 -0.216 -7.065 1.00 0.00 C ATOM 519 C LYS A 33 -3.905 -1.013 -7.817 1.00 0.00 C ATOM 520 O LYS A 33 -5.020 -0.532 -8.011 1.00 0.00 O ATOM 521 CB LYS A 33 -1.931 0.613 -7.978 1.00 0.00 C ATOM 522 CG LYS A 33 -2.758 1.533 -8.879 1.00 0.00 C ATOM 523 CD LYS A 33 -3.113 0.838 -10.195 1.00 0.00 C ATOM 524 CE LYS A 33 -2.132 1.228 -11.303 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.857 1.806 -12.457 1.00 0.00 N ATOM 0 H LYS A 33 -1.041 -1.096 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.359 0.503 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.246 1.209 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.321 -0.050 -8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.671 1.829 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.198 2.445 -9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.098 -0.243 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.127 1.107 -10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.410 1.950 -10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.568 0.352 -11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.177 2.065 -13.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.528 1.105 -12.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.376 2.654 -12.152 1.00 0.00 H new ATOM 538 N ASP A 34 -3.526 -2.218 -8.218 1.00 0.00 N ATOM 539 CA ASP A 34 -4.438 -3.085 -8.943 1.00 0.00 C ATOM 540 C ASP A 34 -5.449 -3.688 -7.965 1.00 0.00 C ATOM 541 O ASP A 34 -6.577 -3.997 -8.345 1.00 0.00 O ATOM 542 CB ASP A 34 -3.687 -4.236 -9.615 1.00 0.00 C ATOM 543 CG ASP A 34 -3.475 -4.077 -11.122 1.00 0.00 C ATOM 544 OD1 ASP A 34 -2.366 -4.286 -11.636 1.00 0.00 O ATOM 545 OD2 ASP A 34 -4.522 -3.717 -11.785 1.00 0.00 O ATOM 0 H ASP A 34 -2.600 -2.614 -8.054 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.937 -2.486 -9.705 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.714 -4.344 -9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.235 -5.161 -9.436 1.00 0.00 H new ATOM 551 N VAL A 35 -5.007 -3.837 -6.725 1.00 0.00 N ATOM 552 CA VAL A 35 -5.859 -4.397 -5.690 1.00 0.00 C ATOM 553 C VAL A 35 -6.822 -3.318 -5.188 1.00 0.00 C ATOM 554 O VAL A 35 -7.972 -3.611 -4.864 1.00 0.00 O ATOM 555 CB VAL A 35 -5.000 -4.997 -4.574 1.00 0.00 C ATOM 556 CG1 VAL A 35 -5.784 -5.079 -3.263 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.460 -6.370 -4.976 1.00 0.00 C ATOM 0 H VAL A 35 -4.070 -3.580 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.463 -5.211 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.148 -4.336 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.151 -5.509 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.097 -4.079 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.663 -5.708 -3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.853 -6.774 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.293 -7.044 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.849 -6.272 -5.873 1.00 0.00 H new ATOM 567 N LYS A 36 -6.316 -2.094 -5.141 1.00 0.00 N ATOM 568 CA LYS A 36 -7.117 -0.971 -4.685 1.00 0.00 C ATOM 569 C LYS A 36 -8.237 -0.707 -5.693 1.00 0.00 C ATOM 570 O LYS A 36 -9.270 -0.137 -5.343 1.00 0.00 O ATOM 571 CB LYS A 36 -6.230 0.246 -4.418 1.00 0.00 C ATOM 572 CG LYS A 36 -6.352 1.272 -5.546 1.00 0.00 C ATOM 573 CD LYS A 36 -5.077 2.110 -5.666 1.00 0.00 C ATOM 574 CE LYS A 36 -5.305 3.531 -5.149 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.337 4.468 -5.763 1.00 0.00 N ATOM 0 H LYS A 36 -5.362 -1.856 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.593 -1.204 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.513 0.706 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.192 -0.071 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.545 0.760 -6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.204 1.925 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.273 1.638 -5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.757 2.145 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.322 3.849 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.201 3.551 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.506 5.428 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.369 4.173 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.455 4.462 -6.796 1.00 0.00 H new ATOM 588 N MET A 37 -7.995 -1.133 -6.924 1.00 0.00 N ATOM 589 CA MET A 37 -8.970 -0.949 -7.985 1.00 0.00 C ATOM 590 C MET A 37 -10.310 -1.589 -7.616 1.00 0.00 C ATOM 591 O MET A 37 -11.319 -0.898 -7.490 1.00 0.00 O ATOM 592 CB MET A 37 -8.443 -1.576 -9.277 1.00 0.00 C ATOM 593 CG MET A 37 -7.338 -0.716 -9.894 1.00 0.00 C ATOM 594 SD MET A 37 -7.967 0.156 -11.319 1.00 0.00 S ATOM 595 CE MET A 37 -7.643 -1.055 -12.590 1.00 0.00 C ATOM 0 H MET A 37 -7.137 -1.605 -7.210 1.00 0.00 H new ATOM 0 HA MET A 37 -9.127 0.120 -8.127 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.058 -2.575 -9.070 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.260 -1.690 -9.989 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.965 -0.004 -9.157 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.496 -1.344 -10.184 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.977 -0.670 -13.553 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.573 -1.260 -12.633 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.180 -1.975 -12.361 1.00 0.00 H new ATOM 605 N LYS A 38 -10.276 -2.904 -7.452 1.00 0.00 N ATOM 606 CA LYS A 38 -11.475 -3.645 -7.100 1.00 0.00 C ATOM 607 C LYS A 38 -11.903 -3.269 -5.680 1.00 0.00 C ATOM 608 O LYS A 38 -13.095 -3.179 -5.390 1.00 0.00 O ATOM 609 CB LYS A 38 -11.254 -5.146 -7.299 1.00 0.00 C ATOM 610 CG LYS A 38 -10.185 -5.674 -6.341 1.00 0.00 C ATOM 611 CD LYS A 38 -8.816 -5.726 -7.023 1.00 0.00 C ATOM 612 CE LYS A 38 -8.019 -6.948 -6.562 1.00 0.00 C ATOM 613 NZ LYS A 38 -6.974 -7.289 -7.552 1.00 0.00 N ATOM 0 H LYS A 38 -9.437 -3.475 -7.556 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.298 -3.377 -7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.190 -5.680 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.953 -5.340 -8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.133 -5.034 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.461 -6.670 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.946 -5.759 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.258 -4.817 -6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.559 -6.746 -5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.690 -7.796 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.270 -7.916 -7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.409 -7.773 -8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.507 -6.419 -7.877 1.00 0.00 H new ATOM 626 N LEU A 39 -10.906 -3.060 -4.831 1.00 0.00 N ATOM 627 CA LEU A 39 -11.164 -2.696 -3.448 1.00 0.00 C ATOM 628 C LEU A 39 -11.859 -1.334 -3.405 1.00 0.00 C ATOM 629 O LEU A 39 -12.659 -1.069 -2.508 1.00 0.00 O ATOM 630 CB LEU A 39 -9.873 -2.754 -2.629 1.00 0.00 C ATOM 631 CG LEU A 39 -9.392 -4.151 -2.234 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.989 -4.097 -1.624 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.396 -4.833 -1.302 1.00 0.00 C ATOM 0 H LEU A 39 -9.918 -3.136 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.840 -3.414 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.082 -2.267 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.016 -2.170 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.327 -4.758 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.671 -5.104 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.292 -3.681 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.003 -3.468 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.030 -5.825 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.517 -4.236 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.357 -4.924 -1.807 1.00 0.00 H new ATOM 645 N VAL A 40 -11.529 -0.505 -4.386 1.00 0.00 N ATOM 646 CA VAL A 40 -12.112 0.822 -4.471 1.00 0.00 C ATOM 647 C VAL A 40 -13.632 0.701 -4.596 1.00 0.00 C ATOM 648 O VAL A 40 -14.373 1.407 -3.913 1.00 0.00 O ATOM 649 CB VAL A 40 -11.478 1.599 -5.627 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.542 2.347 -6.433 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.401 2.558 -5.116 1.00 0.00 C ATOM 0 H VAL A 40 -10.865 -0.728 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.905 1.388 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.999 0.881 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.065 2.891 -7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.257 1.633 -6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -13.063 3.050 -5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.966 3.098 -5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.847 3.269 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.622 1.992 -4.606 1.00 0.00 H new ATOM 661 N ALA A 41 -14.053 -0.200 -5.471 1.00 0.00 N ATOM 662 CA ALA A 41 -15.471 -0.424 -5.693 1.00 0.00 C ATOM 663 C ALA A 41 -16.059 -1.169 -4.495 1.00 0.00 C ATOM 664 O ALA A 41 -17.215 -0.956 -4.132 1.00 0.00 O ATOM 665 CB ALA A 41 -15.669 -1.182 -7.007 1.00 0.00 C ATOM 0 H ALA A 41 -13.436 -0.784 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.000 0.525 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.733 -1.350 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.261 -0.596 -7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.154 -2.141 -6.955 1.00 0.00 H new ATOM 671 N VAL A 42 -15.238 -2.031 -3.913 1.00 0.00 N ATOM 672 CA VAL A 42 -15.662 -2.810 -2.762 1.00 0.00 C ATOM 673 C VAL A 42 -15.871 -1.876 -1.567 1.00 0.00 C ATOM 674 O VAL A 42 -16.928 -1.893 -0.940 1.00 0.00 O ATOM 675 CB VAL A 42 -14.650 -3.923 -2.481 1.00 0.00 C ATOM 676 CG1 VAL A 42 -15.071 -4.753 -1.267 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.456 -4.811 -3.713 1.00 0.00 C ATOM 0 H VAL A 42 -14.281 -2.207 -4.217 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.615 -3.299 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.693 -3.456 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.335 -5.537 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.134 -4.109 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.044 -5.206 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.732 -5.594 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.408 -5.265 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.090 -4.207 -4.543 1.00 0.00 H new ATOM 687 N LEU A 43 -14.844 -1.085 -1.290 1.00 0.00 N ATOM 688 CA LEU A 43 -14.903 -0.146 -0.183 1.00 0.00 C ATOM 689 C LEU A 43 -15.815 1.023 -0.557 1.00 0.00 C ATOM 690 O LEU A 43 -16.533 1.552 0.290 1.00 0.00 O ATOM 691 CB LEU A 43 -13.493 0.281 0.233 1.00 0.00 C ATOM 692 CG LEU A 43 -12.511 -0.852 0.536 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.123 -0.301 0.868 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.046 -1.760 1.645 1.00 0.00 C ATOM 0 H LEU A 43 -13.968 -1.075 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.340 -0.621 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.072 0.897 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.572 0.913 1.118 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.409 -1.464 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.444 -1.127 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.746 0.270 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.188 0.347 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.329 -2.557 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.196 -1.176 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.995 -2.195 1.333 1.00 0.00 H new ATOM 706 N ASN A 44 -15.757 1.393 -1.828 1.00 0.00 N ATOM 707 CA ASN A 44 -16.569 2.490 -2.326 1.00 0.00 C ATOM 708 C ASN A 44 -16.229 3.764 -1.548 1.00 0.00 C ATOM 709 O ASN A 44 -17.031 4.237 -0.745 1.00 0.00 O ATOM 710 CB ASN A 44 -18.059 2.203 -2.135 1.00 0.00 C ATOM 711 CG ASN A 44 -18.893 2.895 -3.216 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.378 3.523 -4.126 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.205 2.747 -3.063 1.00 0.00 N ATOM 0 H ASN A 44 -15.160 0.952 -2.528 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.359 2.610 -3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.233 1.128 -2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.376 2.546 -1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.848 3.173 -3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.569 2.208 -2.278 1.00 0.00 H new ATOM 720 N ALA A 45 -15.038 4.282 -1.813 1.00 0.00 N ATOM 721 CA ALA A 45 -14.583 5.491 -1.149 1.00 0.00 C ATOM 722 C ALA A 45 -13.573 6.211 -2.044 1.00 0.00 C ATOM 723 O ALA A 45 -13.353 5.809 -3.186 1.00 0.00 O ATOM 724 CB ALA A 45 -13.999 5.132 0.218 1.00 0.00 C ATOM 0 H ALA A 45 -14.375 3.886 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.416 6.173 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.657 6.039 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.765 4.650 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.158 4.451 0.087 1.00 0.00 H new ATOM 730 N ASN A 46 -12.985 7.263 -1.493 1.00 0.00 N ATOM 731 CA ASN A 46 -12.004 8.042 -2.228 1.00 0.00 C ATOM 732 C ASN A 46 -10.838 7.137 -2.629 1.00 0.00 C ATOM 733 O ASN A 46 -10.155 6.581 -1.771 1.00 0.00 O ATOM 734 CB ASN A 46 -11.447 9.178 -1.367 1.00 0.00 C ATOM 735 CG ASN A 46 -10.544 10.098 -2.192 1.00 0.00 C ATOM 736 OD1 ASN A 46 -10.165 9.797 -3.311 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.224 11.233 -1.578 1.00 0.00 N ATOM 0 H ASN A 46 -13.169 7.594 -0.546 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.495 8.462 -3.106 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.269 9.754 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.884 8.763 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.626 11.915 -2.045 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.576 11.422 -0.640 1.00 0.00 H new ATOM 744 N LYS A 47 -10.645 7.018 -3.936 1.00 0.00 N ATOM 745 CA LYS A 47 -9.573 6.190 -4.462 1.00 0.00 C ATOM 746 C LYS A 47 -8.249 6.949 -4.354 1.00 0.00 C ATOM 747 O LYS A 47 -7.185 6.339 -4.266 1.00 0.00 O ATOM 748 CB LYS A 47 -9.903 5.726 -5.881 1.00 0.00 C ATOM 749 CG LYS A 47 -9.920 6.907 -6.854 1.00 0.00 C ATOM 750 CD LYS A 47 -8.544 7.111 -7.493 1.00 0.00 C ATOM 751 CE LYS A 47 -8.331 6.141 -8.657 1.00 0.00 C ATOM 752 NZ LYS A 47 -7.254 6.628 -9.546 1.00 0.00 N ATOM 0 H LYS A 47 -11.213 7.481 -4.645 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.468 5.280 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.167 4.992 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.873 5.230 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.664 6.732 -7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.218 7.813 -6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.453 8.137 -7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.766 6.963 -6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.075 5.153 -8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.257 6.033 -9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.122 5.958 -10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.513 7.561 -9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.368 6.708 -9.007 1.00 0.00 H new ATOM 765 N GLN A 48 -8.358 8.270 -4.366 1.00 0.00 N ATOM 766 CA GLN A 48 -7.183 9.118 -4.271 1.00 0.00 C ATOM 767 C GLN A 48 -6.427 8.835 -2.972 1.00 0.00 C ATOM 768 O GLN A 48 -5.261 8.444 -3.000 1.00 0.00 O ATOM 769 CB GLN A 48 -7.564 10.596 -4.373 1.00 0.00 C ATOM 770 CG GLN A 48 -8.209 10.904 -5.726 1.00 0.00 C ATOM 771 CD GLN A 48 -7.910 12.339 -6.162 1.00 0.00 C ATOM 772 OE1 GLN A 48 -7.807 13.252 -5.359 1.00 0.00 O ATOM 773 NE2 GLN A 48 -7.775 12.488 -7.477 1.00 0.00 N ATOM 0 H GLN A 48 -9.242 8.773 -4.440 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.525 8.888 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.255 10.853 -3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.676 11.214 -4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.837 10.207 -6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.287 10.757 -5.661 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.873 11.682 -8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.573 13.408 -7.868 1.00 0.00 H new ATOM 782 N VAL A 49 -7.122 9.044 -1.863 1.00 0.00 N ATOM 783 CA VAL A 49 -6.532 8.816 -0.555 1.00 0.00 C ATOM 784 C VAL A 49 -6.916 7.419 -0.063 1.00 0.00 C ATOM 785 O VAL A 49 -7.444 7.269 1.039 1.00 0.00 O ATOM 786 CB VAL A 49 -6.952 9.926 0.410 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.636 11.306 -0.173 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.434 9.809 0.769 1.00 0.00 C ATOM 0 H VAL A 49 -8.089 9.369 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.444 8.852 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.376 9.809 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.944 12.078 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.564 11.387 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.174 11.436 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.706 10.610 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.035 9.888 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.618 8.845 1.244 1.00 0.00 H new ATOM 798 N LEU A 50 -6.637 6.433 -0.902 1.00 0.00 N ATOM 799 CA LEU A 50 -6.947 5.054 -0.566 1.00 0.00 C ATOM 800 C LEU A 50 -5.751 4.166 -0.915 1.00 0.00 C ATOM 801 O LEU A 50 -5.166 4.302 -1.988 1.00 0.00 O ATOM 802 CB LEU A 50 -8.252 4.619 -1.237 1.00 0.00 C ATOM 803 CG LEU A 50 -8.457 3.110 -1.389 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.900 2.719 -1.063 1.00 0.00 C ATOM 805 CD2 LEU A 50 -8.036 2.638 -2.782 1.00 0.00 C ATOM 0 H LEU A 50 -6.199 6.562 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.117 4.953 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.085 5.023 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.298 5.073 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.815 2.602 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.020 1.642 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.130 3.002 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.579 3.235 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.192 1.562 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.634 3.150 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.982 2.865 -2.940 1.00 0.00 H new ATOM 817 N VAL A 51 -5.423 3.279 0.013 1.00 0.00 N ATOM 818 CA VAL A 51 -4.306 2.370 -0.183 1.00 0.00 C ATOM 819 C VAL A 51 -4.530 1.107 0.650 1.00 0.00 C ATOM 820 O VAL A 51 -5.529 0.996 1.359 1.00 0.00 O ATOM 821 CB VAL A 51 -2.990 3.079 0.146 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.856 2.570 -0.745 1.00 0.00 C ATOM 823 CG2 VAL A 51 -3.140 4.597 0.030 1.00 0.00 C ATOM 0 H VAL A 51 -5.911 3.170 0.902 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.242 2.063 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.734 2.847 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.932 3.090 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.724 1.499 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.102 2.758 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.190 5.076 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.432 4.857 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.905 4.941 0.726 1.00 0.00 H new ATOM 833 N VAL A 52 -3.583 0.188 0.540 1.00 0.00 N ATOM 834 CA VAL A 52 -3.664 -1.063 1.275 1.00 0.00 C ATOM 835 C VAL A 52 -2.571 -1.092 2.346 1.00 0.00 C ATOM 836 O VAL A 52 -1.466 -0.600 2.123 1.00 0.00 O ATOM 837 CB VAL A 52 -3.584 -2.245 0.307 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.772 -3.394 0.910 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.982 -2.716 -0.099 1.00 0.00 C ATOM 0 H VAL A 52 -2.755 0.284 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.623 -1.144 1.787 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.069 -1.907 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.731 -4.221 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.760 -3.050 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.246 -3.730 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.897 -3.557 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.533 -3.028 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.513 -1.899 -0.588 1.00 0.00 H new ATOM 849 N ASP A 53 -2.918 -1.675 3.484 1.00 0.00 N ATOM 850 CA ASP A 53 -1.980 -1.775 4.589 1.00 0.00 C ATOM 851 C ASP A 53 -0.963 -2.879 4.291 1.00 0.00 C ATOM 852 O ASP A 53 0.242 -2.630 4.275 1.00 0.00 O ATOM 853 CB ASP A 53 -2.700 -2.135 5.891 1.00 0.00 C ATOM 854 CG ASP A 53 -2.674 -1.046 6.965 1.00 0.00 C ATOM 855 OD1 ASP A 53 -2.648 -1.339 8.171 1.00 0.00 O ATOM 856 OD2 ASP A 53 -2.682 0.163 6.517 1.00 0.00 O ATOM 0 H ASP A 53 -3.835 -2.083 3.665 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.489 -0.809 4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.739 -2.373 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.249 -3.039 6.300 1.00 0.00 H new ATOM 862 N THR A 54 -1.485 -4.075 4.062 1.00 0.00 N ATOM 863 CA THR A 54 -0.637 -5.217 3.766 1.00 0.00 C ATOM 864 C THR A 54 -1.486 -6.412 3.330 1.00 0.00 C ATOM 865 O THR A 54 -2.691 -6.445 3.575 1.00 0.00 O ATOM 866 CB THR A 54 0.224 -5.500 4.998 1.00 0.00 C ATOM 867 OG1 THR A 54 1.411 -4.743 4.775 1.00 0.00 O ATOM 868 CG2 THR A 54 0.710 -6.949 5.053 1.00 0.00 C ATOM 0 H THR A 54 -2.485 -4.278 4.075 1.00 0.00 H new ATOM 0 HA THR A 54 0.029 -5.008 2.929 1.00 0.00 H new ATOM 0 HB THR A 54 -0.347 -5.275 5.899 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.188 -3.919 4.293 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.316 -7.096 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.149 -7.620 5.083 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.309 -7.166 4.169 1.00 0.00 H new ATOM 876 N LEU A 55 -0.824 -7.366 2.690 1.00 0.00 N ATOM 877 CA LEU A 55 -1.503 -8.560 2.218 1.00 0.00 C ATOM 878 C LEU A 55 -0.581 -9.769 2.394 1.00 0.00 C ATOM 879 O LEU A 55 0.607 -9.613 2.670 1.00 0.00 O ATOM 880 CB LEU A 55 -1.994 -8.365 0.782 1.00 0.00 C ATOM 881 CG LEU A 55 -3.274 -9.113 0.404 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.382 -8.136 0.005 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.002 -10.147 -0.690 1.00 0.00 C ATOM 0 H LEU A 55 0.175 -7.335 2.488 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.396 -8.750 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.157 -7.300 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.201 -8.676 0.102 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.624 -9.657 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.281 -8.693 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.600 -7.471 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.056 -7.546 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.928 -10.664 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.616 -9.645 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.268 -10.869 -0.333 1.00 0.00 H new ATOM 895 N ASP A 56 -1.165 -10.947 2.228 1.00 0.00 N ATOM 896 CA ASP A 56 -0.411 -12.182 2.365 1.00 0.00 C ATOM 897 C ASP A 56 -1.187 -13.324 1.708 1.00 0.00 C ATOM 898 O ASP A 56 -2.332 -13.591 2.070 1.00 0.00 O ATOM 899 CB ASP A 56 -0.201 -12.538 3.838 1.00 0.00 C ATOM 900 CG ASP A 56 1.246 -12.447 4.326 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.982 -13.445 4.331 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.616 -11.276 4.718 1.00 0.00 O ATOM 0 H ASP A 56 -2.151 -11.072 2.000 1.00 0.00 H new ATOM 0 HA ASP A 56 0.558 -12.040 1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.816 -11.876 4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.562 -13.553 4.006 1.00 0.00 H new ATOM 908 N GLN A 57 -0.534 -13.969 0.752 1.00 0.00 N ATOM 909 CA GLN A 57 -1.149 -15.076 0.041 1.00 0.00 C ATOM 910 C GLN A 57 -0.950 -16.380 0.815 1.00 0.00 C ATOM 911 O GLN A 57 0.177 -16.732 1.166 1.00 0.00 O ATOM 912 CB GLN A 57 -0.593 -15.191 -1.380 1.00 0.00 C ATOM 913 CG GLN A 57 -1.383 -16.216 -2.198 1.00 0.00 C ATOM 914 CD GLN A 57 -0.510 -16.838 -3.289 1.00 0.00 C ATOM 915 OE1 GLN A 57 0.505 -16.295 -3.693 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.960 -18.004 -3.743 1.00 0.00 N ATOM 0 H GLN A 57 0.415 -13.745 0.454 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.219 -14.883 -0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.635 -14.219 -1.871 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.457 -15.483 -1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.761 -16.998 -1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.250 -15.735 -2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.817 -18.403 -3.361 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.448 -18.499 -4.473 1.00 0.00 H new ATOM 925 N ILE A 58 -2.059 -17.062 1.058 1.00 0.00 N ATOM 926 CA ILE A 58 -2.020 -18.320 1.785 1.00 0.00 C ATOM 927 C ILE A 58 -1.321 -19.377 0.928 1.00 0.00 C ATOM 928 O ILE A 58 -1.676 -19.573 -0.234 1.00 0.00 O ATOM 929 CB ILE A 58 -3.426 -18.723 2.234 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.205 -17.511 2.747 1.00 0.00 C ATOM 931 CG2 ILE A 58 -3.369 -19.848 3.269 1.00 0.00 C ATOM 932 CD1 ILE A 58 -5.234 -17.926 3.801 1.00 0.00 C ATOM 0 H ILE A 58 -2.990 -16.768 0.765 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.437 -18.214 2.700 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.964 -19.109 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.514 -16.785 3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.709 -17.020 1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.381 -20.116 3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.878 -20.718 2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.807 -19.513 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.774 -17.045 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.938 -18.634 3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.724 -18.395 4.643 1.00 0.00 H new ATOM 944 N PHE A 59 -0.341 -20.031 1.534 1.00 0.00 N ATOM 945 CA PHE A 59 0.411 -21.064 0.840 1.00 0.00 C ATOM 946 C PHE A 59 -0.355 -22.390 0.836 1.00 0.00 C ATOM 947 O PHE A 59 -0.214 -23.188 -0.088 1.00 0.00 O ATOM 948 CB PHE A 59 1.724 -21.249 1.603 1.00 0.00 C ATOM 949 CG PHE A 59 2.822 -21.941 0.792 1.00 0.00 C ATOM 950 CD1 PHE A 59 3.875 -21.222 0.320 1.00 0.00 C ATOM 951 CD2 PHE A 59 2.744 -23.276 0.542 1.00 0.00 C ATOM 952 CE1 PHE A 59 4.893 -21.864 -0.433 1.00 0.00 C ATOM 953 CE2 PHE A 59 3.762 -23.918 -0.211 1.00 0.00 C ATOM 954 CZ PHE A 59 4.816 -23.199 -0.682 1.00 0.00 C ATOM 0 H PHE A 59 -0.050 -19.866 2.498 1.00 0.00 H new ATOM 0 HA PHE A 59 0.580 -20.770 -0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.085 -20.273 1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.530 -21.831 2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.937 -20.162 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.908 -23.847 0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.729 -21.292 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.699 -24.978 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.591 -23.688 -1.253 1.00 0.00 H new ATOM 964 N GLY A 60 -1.146 -22.581 1.881 1.00 0.00 N ATOM 965 CA GLY A 60 -1.933 -23.796 2.009 1.00 0.00 C ATOM 966 C GLY A 60 -2.788 -24.030 0.762 1.00 0.00 C ATOM 967 O GLY A 60 -2.705 -25.086 0.137 1.00 0.00 O ATOM 0 H GLY A 60 -1.259 -21.916 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.271 -24.648 2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.575 -23.727 2.887 1.00 0.00 H new ATOM 971 N LYS A 61 -3.591 -23.028 0.438 1.00 0.00 N ATOM 972 CA LYS A 61 -4.461 -23.111 -0.724 1.00 0.00 C ATOM 973 C LYS A 61 -4.162 -21.941 -1.664 1.00 0.00 C ATOM 974 O LYS A 61 -3.016 -21.512 -1.781 1.00 0.00 O ATOM 975 CB LYS A 61 -5.926 -23.194 -0.291 1.00 0.00 C ATOM 976 CG LYS A 61 -6.371 -21.897 0.386 1.00 0.00 C ATOM 977 CD LYS A 61 -7.855 -21.955 0.759 1.00 0.00 C ATOM 978 CE LYS A 61 -8.035 -22.280 2.243 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.290 -21.685 2.755 1.00 0.00 N ATOM 0 H LYS A 61 -3.658 -22.154 0.959 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.266 -24.027 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.555 -23.390 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.060 -24.031 0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.774 -21.726 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.193 -21.054 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.328 -21.000 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.356 -22.711 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.053 -23.361 2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.186 -21.898 2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.397 -21.915 3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.258 -20.652 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.098 -22.069 2.225 1.00 0.00 H new ATOM 992 N LEU A 62 -5.215 -21.458 -2.309 1.00 0.00 N ATOM 993 CA LEU A 62 -5.080 -20.346 -3.234 1.00 0.00 C ATOM 994 C LEU A 62 -5.809 -19.126 -2.668 1.00 0.00 C ATOM 995 O LEU A 62 -6.493 -18.413 -3.400 1.00 0.00 O ATOM 996 CB LEU A 62 -5.553 -20.753 -4.632 1.00 0.00 C ATOM 997 CG LEU A 62 -4.947 -22.038 -5.197 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.987 -22.831 -5.992 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.698 -21.737 -6.028 1.00 0.00 C ATOM 0 H LEU A 62 -6.165 -21.817 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.032 -20.067 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.637 -20.866 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.332 -19.937 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.634 -22.664 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.530 -23.740 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.820 -23.095 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.353 -22.224 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.287 -22.668 -6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.962 -21.082 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.953 -21.246 -5.401 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.638 -18.923 -1.369 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.271 -17.802 -0.698 1.00 0.00 C ATOM 1013 C GLU A 63 -5.241 -16.711 -0.399 1.00 0.00 C ATOM 1014 O GLU A 63 -4.046 -16.907 -0.612 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.975 -18.256 0.582 1.00 0.00 C ATOM 1016 CG GLU A 63 -8.175 -17.361 0.897 1.00 0.00 C ATOM 1017 CD GLU A 63 -8.006 -16.672 2.251 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -8.387 -17.237 3.286 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -7.455 -15.506 2.206 1.00 0.00 O ATOM 0 H GLU A 63 -5.070 -19.517 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.028 -17.387 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.306 -19.289 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.272 -18.234 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.288 -16.610 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.087 -17.958 0.900 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.742 -15.586 0.089 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.879 -14.464 0.419 1.00 0.00 C ATOM 1029 C ALA A 64 -5.603 -13.542 1.402 1.00 0.00 C ATOM 1030 O ALA A 64 -6.788 -13.258 1.236 1.00 0.00 O ATOM 1031 CB ALA A 64 -4.471 -13.740 -0.865 1.00 0.00 C ATOM 0 H ALA A 64 -6.734 -15.427 0.264 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.966 -14.811 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.824 -12.898 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.936 -14.430 -1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.362 -13.375 -1.376 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.860 -13.100 2.405 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.415 -12.216 3.416 1.00 0.00 C ATOM 1039 C GLU A 65 -4.582 -10.937 3.518 1.00 0.00 C ATOM 1040 O GLU A 65 -3.356 -10.981 3.435 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.506 -12.920 4.771 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.399 -12.139 5.737 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.827 -12.165 7.156 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -6.284 -12.956 7.994 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -4.873 -11.325 7.374 1.00 0.00 O ATOM 0 H GLU A 65 -3.877 -13.338 2.540 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.427 -11.945 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.903 -13.926 4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.508 -13.026 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.493 -11.107 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.402 -12.567 5.737 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.282 -9.826 3.697 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.622 -8.536 3.811 1.00 0.00 C ATOM 1055 C GLY A 66 -5.551 -7.499 4.447 1.00 0.00 C ATOM 1056 O GLY A 66 -6.761 -7.711 4.529 1.00 0.00 O ATOM 0 H GLY A 66 -6.299 -9.792 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.719 -8.638 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.311 -8.194 2.824 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.951 -6.401 4.881 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.710 -5.331 5.506 1.00 0.00 C ATOM 1062 C TYR A 67 -5.725 -4.081 4.624 1.00 0.00 C ATOM 1063 O TYR A 67 -4.684 -3.659 4.121 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.984 -5.009 6.814 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.919 -4.765 8.001 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -5.840 -5.572 9.117 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -6.839 -3.738 7.954 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -6.720 -5.342 10.234 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -7.719 -3.509 9.071 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.616 -4.322 10.156 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.447 -4.105 11.210 1.00 0.00 O ATOM 0 H TYR A 67 -3.948 -6.229 4.812 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.744 -5.636 5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.312 -5.832 7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.364 -4.125 6.665 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.119 -6.375 9.153 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.899 -3.106 7.080 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.669 -5.966 11.114 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.445 -2.709 9.047 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.032 -3.344 11.014 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.916 -3.523 4.463 1.00 0.00 N ATOM 1082 CA ALA A 68 -7.080 -2.331 3.650 1.00 0.00 C ATOM 1083 C ALA A 68 -7.283 -1.120 4.563 1.00 0.00 C ATOM 1084 O ALA A 68 -8.158 -1.131 5.429 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.246 -2.530 2.680 1.00 0.00 C ATOM 0 H ALA A 68 -7.777 -3.875 4.882 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.186 -2.149 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.369 -1.635 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.040 -3.384 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.161 -2.713 3.244 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.461 -0.106 4.341 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.540 1.109 5.133 1.00 0.00 C ATOM 1093 C LYS A 69 -6.864 2.291 4.217 1.00 0.00 C ATOM 1094 O LYS A 69 -6.331 2.390 3.113 1.00 0.00 O ATOM 1095 CB LYS A 69 -5.260 1.299 5.951 1.00 0.00 C ATOM 1096 CG LYS A 69 -5.441 2.394 7.006 1.00 0.00 C ATOM 1097 CD LYS A 69 -5.162 3.776 6.413 1.00 0.00 C ATOM 1098 CE LYS A 69 -3.708 4.189 6.647 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.808 3.023 6.501 1.00 0.00 N ATOM 0 H LYS A 69 -5.736 -0.101 3.623 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.349 1.037 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.992 0.361 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.436 1.561 5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.457 2.361 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.769 2.211 7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.374 3.766 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.830 4.511 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.425 4.965 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.601 4.616 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.819 3.336 6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.012 2.331 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.959 2.582 5.571 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.739 3.157 4.708 1.00 0.00 N ATOM 1113 CA ILE A 70 -8.142 4.326 3.947 1.00 0.00 C ATOM 1114 C ILE A 70 -7.751 5.590 4.717 1.00 0.00 C ATOM 1115 O ILE A 70 -8.016 5.699 5.914 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.630 4.254 3.601 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.905 3.132 2.597 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -10.144 5.607 3.102 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -11.361 2.668 2.680 1.00 0.00 C ATOM 0 H ILE A 70 -8.180 3.072 5.624 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.617 4.358 2.992 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.181 4.016 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.688 3.481 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.240 2.291 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.205 5.528 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.002 6.359 3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.592 5.899 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.531 1.870 1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.568 2.297 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -12.023 3.505 2.459 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.126 6.512 4.000 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.697 7.763 4.601 1.00 0.00 C ATOM 1133 C TYR A 71 -7.784 8.833 4.478 1.00 0.00 C ATOM 1134 O TYR A 71 -8.870 8.564 3.967 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.466 8.211 3.809 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.301 7.221 3.859 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -3.238 7.450 4.709 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.312 6.101 3.054 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -2.140 6.518 4.756 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -3.214 5.169 3.101 1.00 0.00 C ATOM 1141 CZ TYR A 71 -2.183 5.424 3.950 1.00 0.00 C ATOM 1142 OH TYR A 71 -1.146 4.544 3.995 1.00 0.00 O ATOM 0 H TYR A 71 -6.906 6.418 3.008 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.486 7.626 5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.753 8.367 2.769 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.129 9.173 4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.229 8.327 5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.144 5.923 2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.302 6.685 5.416 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.210 4.288 2.476 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.312 3.810 3.367 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.454 10.024 4.954 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.388 11.136 4.905 1.00 0.00 C ATOM 1154 C ASN A 72 -7.665 12.382 4.392 1.00 0.00 C ATOM 1155 O ASN A 72 -8.171 13.081 3.515 1.00 0.00 O ATOM 1156 CB ASN A 72 -8.943 11.451 6.295 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.366 10.908 6.453 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.164 10.910 5.531 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.636 10.445 7.671 1.00 0.00 N ATOM 0 H ASN A 72 -6.552 10.244 5.376 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.208 10.858 4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.297 11.014 7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.941 12.529 6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.558 10.062 7.878 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.921 10.473 8.398 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.493 12.622 4.959 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.694 13.773 4.570 1.00 0.00 C ATOM 1168 C ASP A 73 -4.212 13.398 4.613 1.00 0.00 C ATOM 1169 O ASP A 73 -3.727 12.884 5.621 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.914 14.945 5.526 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.356 14.555 6.938 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -7.188 13.654 7.120 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -5.800 15.226 7.889 1.00 0.00 O ATOM 0 H ASP A 73 -6.076 12.039 5.685 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.995 14.068 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.988 15.516 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.665 15.608 5.097 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.532 13.669 3.509 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.115 13.367 3.409 1.00 0.00 C ATOM 1181 C GLU A 74 -1.311 14.276 4.340 1.00 0.00 C ATOM 1182 O GLU A 74 -0.246 13.892 4.822 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.627 13.494 1.964 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.475 12.635 1.023 1.00 0.00 C ATOM 1185 CD GLU A 74 -3.230 13.507 0.017 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -2.841 13.577 -1.158 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -4.257 14.125 0.495 1.00 0.00 O ATOM 0 H GLU A 74 -3.937 14.095 2.675 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.962 12.334 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.673 14.537 1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.583 13.188 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.835 11.931 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.185 12.045 1.603 1.00 0.00 H new ATOM 1195 N LYS A 75 -1.852 15.465 4.567 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.199 16.432 5.432 1.00 0.00 C ATOM 1197 C LYS A 75 -0.915 15.785 6.790 1.00 0.00 C ATOM 1198 O LYS A 75 0.204 15.862 7.296 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.027 17.715 5.522 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.471 18.180 4.134 1.00 0.00 C ATOM 1201 CD LYS A 75 -3.905 17.735 3.839 1.00 0.00 C ATOM 1202 CE LYS A 75 -4.837 18.941 3.709 1.00 0.00 C ATOM 1203 NZ LYS A 75 -4.794 19.483 2.333 1.00 0.00 N ATOM 0 H LYS A 75 -2.736 15.780 4.166 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.238 16.730 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.902 17.544 6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.440 18.498 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.403 19.266 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.798 17.775 3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.927 17.153 2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.258 17.082 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.857 18.649 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.543 19.713 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.432 20.301 2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.823 19.781 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.096 18.749 1.661 1.00 0.00 H new ATOM 1216 N ALA A 76 -1.947 15.163 7.340 1.00 0.00 N ATOM 1217 CA ALA A 76 -1.823 14.505 8.629 1.00 0.00 C ATOM 1218 C ALA A 76 -0.971 13.243 8.473 1.00 0.00 C ATOM 1219 O ALA A 76 0.002 13.052 9.201 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.216 14.201 9.184 1.00 0.00 C ATOM 0 H ALA A 76 -2.873 15.101 6.916 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.321 15.156 9.345 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.123 13.707 10.151 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.771 15.131 9.304 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.748 13.547 8.493 1.00 0.00 H new ATOM 1226 N MET A 77 -1.368 12.415 7.517 1.00 0.00 N ATOM 1227 CA MET A 77 -0.654 11.177 7.256 1.00 0.00 C ATOM 1228 C MET A 77 0.841 11.437 7.061 1.00 0.00 C ATOM 1229 O MET A 77 1.677 10.735 7.628 1.00 0.00 O ATOM 1230 CB MET A 77 -1.224 10.513 6.000 1.00 0.00 C ATOM 1231 CG MET A 77 -0.119 9.832 5.190 1.00 0.00 C ATOM 1232 SD MET A 77 -0.827 8.965 3.800 1.00 0.00 S ATOM 1233 CE MET A 77 -0.230 9.984 2.462 1.00 0.00 C ATOM 0 H MET A 77 -2.175 12.578 6.914 1.00 0.00 H new ATOM 0 HA MET A 77 -0.781 10.519 8.116 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.978 9.778 6.283 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.723 11.261 5.384 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.597 10.575 4.839 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.430 9.135 5.823 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.950 9.968 1.644 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.102 11.008 2.813 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.727 9.599 2.111 1.00 0.00 H new ATOM 1243 N ALA A 78 1.134 12.450 6.257 1.00 0.00 N ATOM 1244 CA ALA A 78 2.514 12.811 5.980 1.00 0.00 C ATOM 1245 C ALA A 78 3.293 12.872 7.295 1.00 0.00 C ATOM 1246 O ALA A 78 4.483 12.561 7.330 1.00 0.00 O ATOM 1247 CB ALA A 78 2.550 14.138 5.219 1.00 0.00 C ATOM 0 H ALA A 78 0.439 13.032 5.789 1.00 0.00 H new ATOM 0 HA ALA A 78 2.989 12.060 5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.585 14.410 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.006 14.034 4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.085 14.917 5.823 1.00 0.00 H new ATOM 1253 N THR A 79 2.592 13.274 8.345 1.00 0.00 N ATOM 1254 CA THR A 79 3.204 13.379 9.658 1.00 0.00 C ATOM 1255 C THR A 79 2.867 12.150 10.504 1.00 0.00 C ATOM 1256 O THR A 79 3.752 11.370 10.853 1.00 0.00 O ATOM 1257 CB THR A 79 2.745 14.695 10.290 1.00 0.00 C ATOM 1258 OG1 THR A 79 3.483 15.693 9.590 1.00 0.00 O ATOM 1259 CG2 THR A 79 3.205 14.840 11.741 1.00 0.00 C ATOM 0 H THR A 79 1.605 13.531 8.313 1.00 0.00 H new ATOM 0 HA THR A 79 4.291 13.397 9.586 1.00 0.00 H new ATOM 0 HB THR A 79 1.658 14.758 10.247 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.245 16.579 9.936 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.853 15.791 12.141 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.797 14.023 12.335 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.294 14.810 11.782 1.00 0.00 H new ATOM 1267 N ILE A 80 1.584 12.013 10.809 1.00 0.00 N ATOM 1268 CA ILE A 80 1.119 10.892 11.606 1.00 0.00 C ATOM 1269 C ILE A 80 1.835 9.618 11.153 1.00 0.00 C ATOM 1270 O ILE A 80 2.678 9.086 11.872 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.407 10.793 11.553 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -1.055 11.818 12.485 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.875 9.367 11.854 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.572 11.622 12.544 1.00 0.00 C ATOM 0 H ILE A 80 0.852 12.661 10.518 1.00 0.00 H new ATOM 0 HA ILE A 80 1.369 11.042 12.656 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.730 11.030 10.539 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.633 11.723 13.486 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.828 12.826 12.137 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.963 9.324 11.810 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.455 8.683 11.117 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.541 9.077 12.850 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.009 12.363 13.213 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.993 11.741 11.546 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.795 10.622 12.915 1.00 0.00 H new ATOM 1286 N GLU A 81 1.471 9.166 9.961 1.00 0.00 N ATOM 1287 CA GLU A 81 2.068 7.963 9.403 1.00 0.00 C ATOM 1288 C GLU A 81 3.590 8.106 9.342 1.00 0.00 C ATOM 1289 O GLU A 81 4.121 9.202 9.511 1.00 0.00 O ATOM 1290 CB GLU A 81 1.490 7.656 8.020 1.00 0.00 C ATOM 1291 CG GLU A 81 0.508 6.485 8.084 1.00 0.00 C ATOM 1292 CD GLU A 81 -0.630 6.776 9.066 1.00 0.00 C ATOM 1293 OE1 GLU A 81 -1.080 7.926 9.169 1.00 0.00 O ATOM 1294 OE2 GLU A 81 -1.047 5.755 9.736 1.00 0.00 O ATOM 0 H GLU A 81 0.771 9.610 9.367 1.00 0.00 H new ATOM 0 HA GLU A 81 1.827 7.124 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.984 8.539 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.299 7.420 7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.098 6.295 7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.034 5.581 8.389 1.00 0.00 H new ATOM 1302 N THR A 82 4.247 6.982 9.100 1.00 0.00 N ATOM 1303 CA THR A 82 5.698 6.967 9.014 1.00 0.00 C ATOM 1304 C THR A 82 6.146 6.474 7.637 1.00 0.00 C ATOM 1305 O THR A 82 5.328 6.018 6.840 1.00 0.00 O ATOM 1306 CB THR A 82 6.232 6.116 10.169 1.00 0.00 C ATOM 1307 OG1 THR A 82 5.450 4.926 10.112 1.00 0.00 O ATOM 1308 CG2 THR A 82 5.902 6.714 11.538 1.00 0.00 C ATOM 0 H THR A 82 3.802 6.075 8.961 1.00 0.00 H new ATOM 0 HA THR A 82 6.110 7.971 9.114 1.00 0.00 H new ATOM 0 HB THR A 82 7.312 6.008 10.072 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.731 4.316 10.826 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.303 6.072 12.322 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.347 7.706 11.619 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.821 6.791 11.650 1.00 0.00 H new ATOM 1316 N LYS A 83 7.445 6.581 7.400 1.00 0.00 N ATOM 1317 CA LYS A 83 8.013 6.152 6.133 1.00 0.00 C ATOM 1318 C LYS A 83 7.647 4.686 5.886 1.00 0.00 C ATOM 1319 O LYS A 83 7.715 4.208 4.755 1.00 0.00 O ATOM 1320 CB LYS A 83 9.518 6.424 6.099 1.00 0.00 C ATOM 1321 CG LYS A 83 10.253 5.573 7.137 1.00 0.00 C ATOM 1322 CD LYS A 83 10.529 4.168 6.597 1.00 0.00 C ATOM 1323 CE LYS A 83 12.020 3.971 6.317 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.264 2.645 5.709 1.00 0.00 N ATOM 0 H LYS A 83 8.121 6.959 8.064 1.00 0.00 H new ATOM 0 HA LYS A 83 7.591 6.730 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.908 6.208 5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.705 7.480 6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.193 6.054 7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.656 5.506 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.189 3.424 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.959 4.008 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.377 4.755 5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.585 4.061 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.281 2.529 5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.942 1.900 6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.741 2.572 4.813 1.00 0.00 H new ATOM 1337 N SER A 84 7.269 4.014 6.964 1.00 0.00 N ATOM 1338 CA SER A 84 6.892 2.614 6.879 1.00 0.00 C ATOM 1339 C SER A 84 5.575 2.471 6.114 1.00 0.00 C ATOM 1340 O SER A 84 5.422 1.564 5.297 1.00 0.00 O ATOM 1341 CB SER A 84 6.767 1.992 8.271 1.00 0.00 C ATOM 1342 OG SER A 84 7.646 0.882 8.440 1.00 0.00 O ATOM 0 H SER A 84 7.216 4.414 7.901 1.00 0.00 H new ATOM 0 HA SER A 84 7.676 2.081 6.341 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.986 2.747 9.026 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.739 1.668 8.433 1.00 0.00 H new ATOM 0 HG SER A 84 7.538 0.513 9.342 1.00 0.00 H new ATOM 1348 N VAL A 85 4.657 3.380 6.406 1.00 0.00 N ATOM 1349 CA VAL A 85 3.357 3.367 5.756 1.00 0.00 C ATOM 1350 C VAL A 85 3.497 3.917 4.334 1.00 0.00 C ATOM 1351 O VAL A 85 3.220 3.215 3.363 1.00 0.00 O ATOM 1352 CB VAL A 85 2.342 4.142 6.599 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.180 4.640 5.737 1.00 0.00 C ATOM 1354 CG2 VAL A 85 1.835 3.290 7.764 1.00 0.00 C ATOM 0 H VAL A 85 4.787 4.131 7.084 1.00 0.00 H new ATOM 0 HA VAL A 85 2.981 2.347 5.675 1.00 0.00 H new ATOM 0 HB VAL A 85 2.847 5.014 7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.473 5.187 6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.562 5.299 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.676 3.789 5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.115 3.863 8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.354 2.392 7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.674 3.007 8.400 1.00 0.00 H new ATOM 1364 N LEU A 86 3.927 5.167 4.259 1.00 0.00 N ATOM 1365 CA LEU A 86 4.107 5.820 2.973 1.00 0.00 C ATOM 1366 C LEU A 86 4.950 4.923 2.064 1.00 0.00 C ATOM 1367 O LEU A 86 4.894 5.043 0.841 1.00 0.00 O ATOM 1368 CB LEU A 86 4.687 7.224 3.160 1.00 0.00 C ATOM 1369 CG LEU A 86 3.670 8.344 3.384 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.322 7.780 3.839 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.211 9.389 4.363 1.00 0.00 C ATOM 0 H LEU A 86 4.156 5.746 5.067 1.00 0.00 H new ATOM 0 HA LEU A 86 3.145 5.961 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.369 7.204 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.281 7.470 2.280 1.00 0.00 H new ATOM 0 HG LEU A 86 3.504 8.848 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.618 8.598 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.934 7.104 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.452 7.235 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.468 10.174 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.424 8.914 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.126 9.824 3.962 1.00 0.00 H new ATOM 1383 N GLU A 87 5.714 4.044 2.697 1.00 0.00 N ATOM 1384 CA GLU A 87 6.567 3.127 1.962 1.00 0.00 C ATOM 1385 C GLU A 87 5.732 2.282 0.998 1.00 0.00 C ATOM 1386 O GLU A 87 6.023 2.224 -0.196 1.00 0.00 O ATOM 1387 CB GLU A 87 7.370 2.240 2.915 1.00 0.00 C ATOM 1388 CG GLU A 87 8.848 2.639 2.921 1.00 0.00 C ATOM 1389 CD GLU A 87 9.708 1.564 2.251 1.00 0.00 C ATOM 1390 OE1 GLU A 87 10.141 1.745 1.104 1.00 0.00 O ATOM 1391 OE2 GLU A 87 9.922 0.514 2.967 1.00 0.00 O ATOM 0 H GLU A 87 5.759 3.948 3.711 1.00 0.00 H new ATOM 0 HA GLU A 87 7.278 3.712 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.963 2.322 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.272 1.197 2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.974 3.588 2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.183 2.791 3.947 1.00 0.00 H new ATOM 1399 N LYS A 88 4.712 1.645 1.553 1.00 0.00 N ATOM 1400 CA LYS A 88 3.833 0.804 0.759 1.00 0.00 C ATOM 1401 C LYS A 88 3.242 1.630 -0.386 1.00 0.00 C ATOM 1402 O LYS A 88 3.018 1.111 -1.479 1.00 0.00 O ATOM 1403 CB LYS A 88 2.777 0.142 1.647 1.00 0.00 C ATOM 1404 CG LYS A 88 1.766 1.171 2.157 1.00 0.00 C ATOM 1405 CD LYS A 88 1.673 1.137 3.684 1.00 0.00 C ATOM 1406 CE LYS A 88 1.034 -0.166 4.165 1.00 0.00 C ATOM 1407 NZ LYS A 88 0.735 -0.094 5.613 1.00 0.00 N ATOM 0 H LYS A 88 4.474 1.694 2.544 1.00 0.00 H new ATOM 0 HA LYS A 88 4.395 -0.014 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.259 -0.634 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.262 -0.347 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.059 2.168 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.786 0.969 1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.669 1.238 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.086 1.986 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.117 -0.355 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.705 -1.002 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.364 -1.010 5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.605 0.132 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.025 0.647 5.785 1.00 0.00 H new ATOM 1420 N ASN A 89 3.008 2.902 -0.097 1.00 0.00 N ATOM 1421 CA ASN A 89 2.448 3.804 -1.088 1.00 0.00 C ATOM 1422 C ASN A 89 3.585 4.519 -1.820 1.00 0.00 C ATOM 1423 O ASN A 89 3.433 5.664 -2.243 1.00 0.00 O ATOM 1424 CB ASN A 89 1.567 4.867 -0.430 1.00 0.00 C ATOM 1425 CG ASN A 89 0.789 5.661 -1.481 1.00 0.00 C ATOM 1426 OD1 ASN A 89 0.810 6.882 -1.517 1.00 0.00 O ATOM 1427 ND2 ASN A 89 0.102 4.905 -2.332 1.00 0.00 N ATOM 0 H ASN A 89 3.196 3.329 0.810 1.00 0.00 H new ATOM 0 HA ASN A 89 1.846 3.214 -1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.871 4.391 0.260 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.186 5.544 0.158 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.450 5.341 -3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.127 3.889 -2.247 1.00 0.00 H new