USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 749 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 29 GLN : amide:sc= -0.789 K(o=0.055,f=-5.7!) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 173:sc= 0.844 (180deg=0.405) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.00553) USER MOD Single : A 30 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-3.7) USER MOD Single : A 33 GLN : amide:sc=-0.00799 K(o=-0.008,f=-0.94) USER MOD Single : A 34 ASN : amide:sc= -0.0451 X(o=-0.045,f=-0.079) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.00043) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 54 ASN : amide:sc= -2.3 K(o=-2.3,f=-8.1!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.133 USER MOD Single : A 57 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 61 SER OG : rot 90:sc= 0.333 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.566 F(o=-1.5,f=-0.57) USER MOD Single : A 65 SER OG : rot 177:sc= -0.228 USER MOD Single : A 67 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.016) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 17:sc= 0.601 USER MOD Single : A 74 ASN :FLIP amide:sc= -2.58 F(o=-4,f=-2.6) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.462 -12.264 4.070 1.00 0.00 N ATOM 2 CA GLY A 1 -16.877 -12.881 2.778 1.00 0.00 C ATOM 3 C GLY A 1 -17.384 -11.857 1.777 1.00 0.00 C ATOM 4 O GLY A 1 -18.581 -11.569 1.738 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.125 -13.006 4.716 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.697 -11.580 3.898 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.274 -11.775 4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.031 -13.417 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.658 -13.618 2.966 1.00 0.00 H new ATOM 10 N PRO A 2 -16.486 -11.283 0.949 1.00 0.00 N ATOM 11 CA PRO A 2 -16.850 -10.277 -0.059 1.00 0.00 C ATOM 12 C PRO A 2 -17.670 -10.862 -1.209 1.00 0.00 C ATOM 13 O PRO A 2 -17.738 -12.081 -1.381 1.00 0.00 O ATOM 14 CB PRO A 2 -15.496 -9.767 -0.580 1.00 0.00 C ATOM 15 CG PRO A 2 -14.474 -10.293 0.372 1.00 0.00 C ATOM 16 CD PRO A 2 -15.044 -11.561 0.932 1.00 0.00 C ATOM 0 HA PRO A 2 -17.478 -9.497 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -15.307 -10.122 -1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.475 -8.678 -0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.528 -10.481 -0.136 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.272 -9.573 1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.805 -12.423 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.660 -11.772 1.930 1.00 0.00 H new ATOM 24 N GLY A 3 -18.287 -9.979 -1.994 1.00 0.00 N ATOM 25 CA GLY A 3 -19.093 -10.413 -3.124 1.00 0.00 C ATOM 26 C GLY A 3 -20.380 -9.617 -3.265 1.00 0.00 C ATOM 27 O GLY A 3 -21.463 -10.149 -3.022 1.00 0.00 O ATOM 0 H GLY A 3 -18.242 -8.968 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.509 -10.318 -4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -19.335 -11.470 -3.009 1.00 0.00 H new ATOM 31 N PRO A 4 -20.292 -8.328 -3.656 1.00 0.00 N ATOM 32 CA PRO A 4 -21.465 -7.465 -3.823 1.00 0.00 C ATOM 33 C PRO A 4 -22.143 -7.638 -5.181 1.00 0.00 C ATOM 34 O PRO A 4 -21.536 -8.128 -6.134 1.00 0.00 O ATOM 35 CB PRO A 4 -20.873 -6.062 -3.709 1.00 0.00 C ATOM 36 CG PRO A 4 -19.483 -6.192 -4.234 1.00 0.00 C ATOM 37 CD PRO A 4 -19.039 -7.609 -3.959 1.00 0.00 C ATOM 0 HA PRO A 4 -22.241 -7.691 -3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.449 -5.341 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.875 -5.714 -2.676 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -19.453 -5.979 -5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -18.818 -5.478 -3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -18.530 -8.041 -4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -18.342 -7.653 -3.122 1.00 0.00 H new ATOM 45 N ALA A 5 -23.404 -7.217 -5.259 1.00 0.00 N ATOM 46 CA ALA A 5 -24.176 -7.304 -6.497 1.00 0.00 C ATOM 47 C ALA A 5 -24.999 -6.032 -6.724 1.00 0.00 C ATOM 48 O ALA A 5 -26.036 -6.063 -7.389 1.00 0.00 O ATOM 49 CB ALA A 5 -25.082 -8.529 -6.466 1.00 0.00 C ATOM 0 H ALA A 5 -23.915 -6.810 -4.475 1.00 0.00 H new ATOM 0 HA ALA A 5 -23.478 -7.403 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -25.652 -8.583 -7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -24.475 -9.428 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -25.768 -8.453 -5.622 1.00 0.00 H new ATOM 55 N ILE A 6 -24.529 -4.913 -6.162 1.00 0.00 N ATOM 56 CA ILE A 6 -25.217 -3.629 -6.294 1.00 0.00 C ATOM 57 C ILE A 6 -24.225 -2.489 -6.536 1.00 0.00 C ATOM 58 O ILE A 6 -24.408 -1.686 -7.452 1.00 0.00 O ATOM 59 CB ILE A 6 -26.061 -3.304 -5.039 1.00 0.00 C ATOM 60 CG1 ILE A 6 -26.805 -4.551 -4.550 1.00 0.00 C ATOM 61 CG2 ILE A 6 -27.042 -2.178 -5.338 1.00 0.00 C ATOM 62 CD1 ILE A 6 -27.478 -4.371 -3.207 1.00 0.00 C ATOM 0 H ILE A 6 -23.672 -4.873 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 6 -25.880 -3.718 -7.154 1.00 0.00 H new ATOM 0 HB ILE A 6 -25.388 -2.976 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -27.557 -4.828 -5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -26.101 -5.381 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -27.629 -1.960 -4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -26.492 -1.286 -5.637 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -27.708 -2.481 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -27.984 -5.295 -2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -26.729 -4.125 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -28.207 -3.563 -3.271 1.00 0.00 H new ATOM 74 N GLY A 7 -23.177 -2.421 -5.709 1.00 0.00 N ATOM 75 CA GLY A 7 -22.180 -1.372 -5.855 1.00 0.00 C ATOM 76 C GLY A 7 -20.776 -1.850 -5.547 1.00 0.00 C ATOM 77 O GLY A 7 -20.588 -2.769 -4.747 1.00 0.00 O ATOM 0 H GLY A 7 -23.004 -3.073 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.212 -0.986 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.431 -0.544 -5.192 1.00 0.00 H new ATOM 81 N GLU A 8 -19.787 -1.222 -6.183 1.00 0.00 N ATOM 82 CA GLU A 8 -18.390 -1.586 -5.976 1.00 0.00 C ATOM 83 C GLU A 8 -17.476 -0.365 -6.067 1.00 0.00 C ATOM 84 O GLU A 8 -17.595 0.444 -6.990 1.00 0.00 O ATOM 85 CB GLU A 8 -17.958 -2.633 -7.003 1.00 0.00 C ATOM 86 CG GLU A 8 -18.249 -4.061 -6.579 1.00 0.00 C ATOM 87 CD GLU A 8 -18.211 -5.029 -7.744 1.00 0.00 C ATOM 88 OE1 GLU A 8 -19.259 -5.211 -8.399 1.00 0.00 O ATOM 89 OE2 GLU A 8 -17.133 -5.604 -8.004 1.00 0.00 O ATOM 0 H GLU A 8 -19.930 -0.459 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 8 -18.301 -2.004 -4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.465 -2.433 -7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.889 -2.529 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.520 -4.370 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -19.230 -4.104 -6.106 1.00 0.00 H new ATOM 96 N VAL A 9 -16.559 -0.250 -5.108 1.00 0.00 N ATOM 97 CA VAL A 9 -15.608 0.859 -5.072 1.00 0.00 C ATOM 98 C VAL A 9 -14.203 0.364 -5.400 1.00 0.00 C ATOM 99 O VAL A 9 -13.831 -0.753 -5.038 1.00 0.00 O ATOM 100 CB VAL A 9 -15.605 1.564 -3.701 1.00 0.00 C ATOM 101 CG1 VAL A 9 -14.805 2.858 -3.758 1.00 0.00 C ATOM 102 CG2 VAL A 9 -17.030 1.837 -3.251 1.00 0.00 C ATOM 0 H VAL A 9 -16.455 -0.915 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.923 1.583 -5.823 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.128 0.905 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.818 3.337 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.776 2.637 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -15.248 3.528 -4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.016 2.335 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -17.526 2.477 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -17.572 0.895 -3.167 1.00 0.00 H new ATOM 112 N ILE A 10 -13.436 1.186 -6.111 1.00 0.00 N ATOM 113 CA ILE A 10 -12.084 0.810 -6.513 1.00 0.00 C ATOM 114 C ILE A 10 -11.017 1.727 -5.924 1.00 0.00 C ATOM 115 O ILE A 10 -11.307 2.843 -5.487 1.00 0.00 O ATOM 116 CB ILE A 10 -11.949 0.809 -8.045 1.00 0.00 C ATOM 117 CG1 ILE A 10 -12.244 2.207 -8.612 1.00 0.00 C ATOM 118 CG2 ILE A 10 -12.888 -0.232 -8.644 1.00 0.00 C ATOM 119 CD1 ILE A 10 -12.408 2.240 -10.117 1.00 0.00 C ATOM 0 H ILE A 10 -13.726 2.114 -6.420 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.922 -0.194 -6.121 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.925 0.549 -8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.153 2.591 -8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.434 2.880 -8.330 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.789 -0.229 -9.730 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.631 -1.219 -8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.916 0.007 -8.373 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.614 3.261 -10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.491 1.888 -10.591 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.237 1.594 -10.407 1.00 0.00 H new ATOM 131 N GLY A 11 -9.775 1.242 -5.934 1.00 0.00 N ATOM 132 CA GLY A 11 -8.662 2.016 -5.418 1.00 0.00 C ATOM 133 C GLY A 11 -7.994 2.844 -6.498 1.00 0.00 C ATOM 134 O GLY A 11 -8.615 3.129 -7.524 1.00 0.00 O ATOM 0 H GLY A 11 -9.522 0.321 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.016 2.674 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.929 1.344 -4.972 1.00 0.00 H new ATOM 138 N ILE A 12 -6.731 3.238 -6.289 1.00 0.00 N ATOM 139 CA ILE A 12 -6.036 4.035 -7.294 1.00 0.00 C ATOM 140 C ILE A 12 -5.078 3.185 -8.124 1.00 0.00 C ATOM 141 O ILE A 12 -4.680 2.091 -7.719 1.00 0.00 O ATOM 142 CB ILE A 12 -5.286 5.239 -6.683 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.960 4.817 -6.040 1.00 0.00 C ATOM 144 CG2 ILE A 12 -6.171 5.962 -5.679 1.00 0.00 C ATOM 145 CD1 ILE A 12 -4.099 3.868 -4.875 1.00 0.00 C ATOM 0 H ILE A 12 -6.186 3.022 -5.454 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.811 4.429 -7.952 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.046 5.926 -7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.336 4.348 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.435 5.710 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.628 6.808 -5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.070 6.321 -6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.450 5.276 -4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.111 3.625 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.693 4.338 -4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.593 2.955 -5.207 1.00 0.00 H new ATOM 157 N SER A 13 -4.734 3.699 -9.302 1.00 0.00 N ATOM 158 CA SER A 13 -3.845 3.004 -10.229 1.00 0.00 C ATOM 159 C SER A 13 -2.379 3.149 -9.834 1.00 0.00 C ATOM 160 O SER A 13 -1.985 4.146 -9.223 1.00 0.00 O ATOM 161 CB SER A 13 -4.036 3.553 -11.641 1.00 0.00 C ATOM 162 OG SER A 13 -5.084 2.881 -12.316 1.00 0.00 O ATOM 0 H SER A 13 -5.062 4.604 -9.640 1.00 0.00 H new ATOM 0 HA SER A 13 -4.104 1.946 -10.194 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.257 4.619 -11.592 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.109 3.445 -12.204 1.00 0.00 H new ATOM 0 HG SER A 13 -5.185 3.254 -13.217 1.00 0.00 H new ATOM 168 N VAL A 14 -1.566 2.164 -10.231 1.00 0.00 N ATOM 169 CA VAL A 14 -0.135 2.202 -9.958 1.00 0.00 C ATOM 170 C VAL A 14 0.510 3.338 -10.750 1.00 0.00 C ATOM 171 O VAL A 14 1.563 3.856 -10.374 1.00 0.00 O ATOM 172 CB VAL A 14 0.563 0.872 -10.305 1.00 0.00 C ATOM 173 CG1 VAL A 14 0.429 0.560 -11.787 1.00 0.00 C ATOM 174 CG2 VAL A 14 2.027 0.921 -9.892 1.00 0.00 C ATOM 0 H VAL A 14 -1.878 1.337 -10.740 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.012 2.369 -8.888 1.00 0.00 H new ATOM 0 HB VAL A 14 0.074 0.071 -9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.929 -0.383 -12.007 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.626 0.480 -12.048 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.888 1.359 -12.370 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.508 -0.025 -10.143 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.527 1.733 -10.420 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.096 1.089 -8.817 1.00 0.00 H new ATOM 184 N ASN A 15 -0.155 3.734 -11.842 1.00 0.00 N ATOM 185 CA ASN A 15 0.309 4.823 -12.687 1.00 0.00 C ATOM 186 C ASN A 15 0.561 6.075 -11.849 1.00 0.00 C ATOM 187 O ASN A 15 1.454 6.868 -12.149 1.00 0.00 O ATOM 188 CB ASN A 15 -0.741 5.126 -13.748 1.00 0.00 C ATOM 189 CG ASN A 15 -0.277 6.158 -14.757 1.00 0.00 C ATOM 190 OD1 ASN A 15 -0.863 7.233 -14.873 1.00 0.00 O ATOM 191 ND2 ASN A 15 0.779 5.835 -15.496 1.00 0.00 N ATOM 0 H ASN A 15 -1.025 3.306 -12.157 1.00 0.00 H new ATOM 0 HA ASN A 15 1.242 4.525 -13.166 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.999 4.205 -14.270 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.649 5.483 -13.262 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.134 6.490 -16.193 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.235 4.932 -15.367 1.00 0.00 H new ATOM 198 N ASP A 16 -0.241 6.232 -10.792 1.00 0.00 N ATOM 199 CA ASP A 16 -0.129 7.369 -9.888 1.00 0.00 C ATOM 200 C ASP A 16 1.279 7.446 -9.288 1.00 0.00 C ATOM 201 O ASP A 16 1.689 6.570 -8.525 1.00 0.00 O ATOM 202 CB ASP A 16 -1.191 7.251 -8.791 1.00 0.00 C ATOM 203 CG ASP A 16 -1.324 8.512 -7.962 1.00 0.00 C ATOM 204 OD1 ASP A 16 -0.458 8.750 -7.099 1.00 0.00 O ATOM 205 OD2 ASP A 16 -2.298 9.261 -8.178 1.00 0.00 O ATOM 0 H ASP A 16 -0.981 5.575 -10.544 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.298 8.291 -10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.153 7.019 -9.247 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.939 6.417 -8.136 1.00 0.00 H new ATOM 210 N PRO A 17 2.045 8.497 -9.652 1.00 0.00 N ATOM 211 CA PRO A 17 3.427 8.698 -9.179 1.00 0.00 C ATOM 212 C PRO A 17 3.552 8.814 -7.658 1.00 0.00 C ATOM 213 O PRO A 17 4.602 8.498 -7.097 1.00 0.00 O ATOM 214 CB PRO A 17 3.853 10.012 -9.844 1.00 0.00 C ATOM 215 CG PRO A 17 2.580 10.676 -10.243 1.00 0.00 C ATOM 216 CD PRO A 17 1.630 9.567 -10.573 1.00 0.00 C ATOM 0 HA PRO A 17 4.049 7.841 -9.436 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.424 10.635 -9.156 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.490 9.828 -10.709 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.192 11.296 -9.435 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.732 11.330 -11.102 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.593 9.861 -10.410 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.714 9.259 -11.615 1.00 0.00 H new ATOM 224 N ARG A 18 2.488 9.263 -6.993 1.00 0.00 N ATOM 225 CA ARG A 18 2.503 9.406 -5.541 1.00 0.00 C ATOM 226 C ARG A 18 2.304 8.051 -4.872 1.00 0.00 C ATOM 227 O ARG A 18 2.984 7.710 -3.907 1.00 0.00 O ATOM 228 CB ARG A 18 1.400 10.358 -5.076 1.00 0.00 C ATOM 229 CG ARG A 18 1.517 11.764 -5.630 1.00 0.00 C ATOM 230 CD ARG A 18 0.903 11.874 -7.014 1.00 0.00 C ATOM 231 NE ARG A 18 -0.281 12.732 -7.025 1.00 0.00 N ATOM 232 CZ ARG A 18 -1.259 12.647 -7.930 1.00 0.00 C ATOM 233 NH1 ARG A 18 -1.172 11.789 -8.942 1.00 0.00 N ATOM 234 NH2 ARG A 18 -2.325 13.432 -7.828 1.00 0.00 N ATOM 0 H ARG A 18 1.609 9.532 -7.436 1.00 0.00 H new ATOM 0 HA ARG A 18 3.472 9.816 -5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.434 9.945 -5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.413 10.407 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.023 12.463 -4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.567 12.052 -5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.644 12.271 -7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.633 10.880 -7.370 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.365 13.440 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.353 11.188 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.925 11.732 -9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.396 14.099 -7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.073 13.368 -8.518 1.00 0.00 H new ATOM 248 N VAL A 19 1.352 7.293 -5.400 1.00 0.00 N ATOM 249 CA VAL A 19 1.015 5.976 -4.887 1.00 0.00 C ATOM 250 C VAL A 19 2.173 4.986 -5.065 1.00 0.00 C ATOM 251 O VAL A 19 2.438 4.170 -4.183 1.00 0.00 O ATOM 252 CB VAL A 19 -0.253 5.451 -5.595 1.00 0.00 C ATOM 253 CG1 VAL A 19 -0.549 4.009 -5.214 1.00 0.00 C ATOM 254 CG2 VAL A 19 -1.441 6.339 -5.275 1.00 0.00 C ATOM 0 H VAL A 19 0.789 7.579 -6.202 1.00 0.00 H new ATOM 0 HA VAL A 19 0.824 6.067 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.070 5.478 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.448 3.673 -5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.292 3.377 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.703 3.942 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.328 5.957 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.612 6.345 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.238 7.354 -5.616 1.00 0.00 H new ATOM 264 N LYS A 20 2.857 5.063 -6.208 1.00 0.00 N ATOM 265 CA LYS A 20 3.984 4.175 -6.502 1.00 0.00 C ATOM 266 C LYS A 20 5.201 4.475 -5.617 1.00 0.00 C ATOM 267 O LYS A 20 5.901 3.554 -5.193 1.00 0.00 O ATOM 268 CB LYS A 20 4.376 4.294 -7.976 1.00 0.00 C ATOM 269 CG LYS A 20 4.701 5.717 -8.406 1.00 0.00 C ATOM 270 CD LYS A 20 6.198 5.979 -8.417 1.00 0.00 C ATOM 271 CE LYS A 20 6.934 5.011 -9.333 1.00 0.00 C ATOM 272 NZ LYS A 20 7.886 5.711 -10.241 1.00 0.00 N ATOM 0 H LYS A 20 2.649 5.734 -6.948 1.00 0.00 H new ATOM 0 HA LYS A 20 3.660 3.157 -6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.242 3.659 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.561 3.914 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.294 5.897 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.215 6.420 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.386 7.002 -8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.590 5.890 -7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.478 4.284 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.210 4.454 -9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.365 5.014 -10.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.365 6.387 -10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.593 6.222 -9.675 1.00 0.00 H new ATOM 286 N GLU A 21 5.450 5.759 -5.341 1.00 0.00 N ATOM 287 CA GLU A 21 6.584 6.160 -4.510 1.00 0.00 C ATOM 288 C GLU A 21 6.300 5.871 -3.042 1.00 0.00 C ATOM 289 O GLU A 21 7.188 5.476 -2.286 1.00 0.00 O ATOM 290 CB GLU A 21 6.892 7.648 -4.705 1.00 0.00 C ATOM 291 CG GLU A 21 5.816 8.584 -4.177 1.00 0.00 C ATOM 292 CD GLU A 21 6.163 10.046 -4.378 1.00 0.00 C ATOM 293 OE1 GLU A 21 6.052 10.532 -5.523 1.00 0.00 O ATOM 294 OE2 GLU A 21 6.546 10.707 -3.389 1.00 0.00 O ATOM 0 H GLU A 21 4.882 6.535 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 21 7.454 5.580 -4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.834 7.880 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.035 7.841 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.873 8.366 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.664 8.394 -3.115 1.00 0.00 H new ATOM 301 N ILE A 22 5.051 6.076 -2.652 1.00 0.00 N ATOM 302 CA ILE A 22 4.627 5.842 -1.283 1.00 0.00 C ATOM 303 C ILE A 22 4.504 4.336 -0.992 1.00 0.00 C ATOM 304 O ILE A 22 4.827 3.886 0.110 1.00 0.00 O ATOM 305 CB ILE A 22 3.302 6.586 -0.989 1.00 0.00 C ATOM 306 CG1 ILE A 22 3.523 8.094 -1.127 1.00 0.00 C ATOM 307 CG2 ILE A 22 2.774 6.259 0.400 1.00 0.00 C ATOM 308 CD1 ILE A 22 2.244 8.888 -1.246 1.00 0.00 C ATOM 0 H ILE A 22 4.310 6.406 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 22 5.390 6.241 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 22 2.556 6.255 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.082 8.451 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.140 8.283 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.843 6.799 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.591 5.187 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.509 6.556 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.481 9.948 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.693 8.560 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.634 8.730 -0.357 1.00 0.00 H new ATOM 320 N ALA A 23 4.075 3.558 -1.997 1.00 0.00 N ATOM 321 CA ALA A 23 3.952 2.101 -1.858 1.00 0.00 C ATOM 322 C ALA A 23 5.331 1.469 -1.689 1.00 0.00 C ATOM 323 O ALA A 23 5.594 0.753 -0.714 1.00 0.00 O ATOM 324 CB ALA A 23 3.249 1.516 -3.073 1.00 0.00 C ATOM 0 H ALA A 23 3.808 3.914 -2.915 1.00 0.00 H new ATOM 0 HA ALA A 23 3.357 1.882 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.164 0.435 -2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.254 1.951 -3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.825 1.741 -3.970 1.00 0.00 H new ATOM 330 N GLU A 24 6.213 1.760 -2.645 1.00 0.00 N ATOM 331 CA GLU A 24 7.576 1.259 -2.624 1.00 0.00 C ATOM 332 C GLU A 24 8.241 1.606 -1.296 1.00 0.00 C ATOM 333 O GLU A 24 8.894 0.761 -0.681 1.00 0.00 O ATOM 334 CB GLU A 24 8.368 1.847 -3.793 1.00 0.00 C ATOM 335 CG GLU A 24 8.704 3.320 -3.632 1.00 0.00 C ATOM 336 CD GLU A 24 9.408 3.902 -4.841 1.00 0.00 C ATOM 337 OE1 GLU A 24 8.790 3.950 -5.925 1.00 0.00 O ATOM 338 OE2 GLU A 24 10.579 4.314 -4.703 1.00 0.00 O ATOM 0 H GLU A 24 5.998 2.348 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 24 7.559 0.174 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.294 1.284 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.795 1.714 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.786 3.879 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.336 3.449 -2.753 1.00 0.00 H new ATOM 345 N PHE A 25 8.046 2.853 -0.848 1.00 0.00 N ATOM 346 CA PHE A 25 8.605 3.303 0.419 1.00 0.00 C ATOM 347 C PHE A 25 8.071 2.453 1.569 1.00 0.00 C ATOM 348 O PHE A 25 8.790 2.174 2.529 1.00 0.00 O ATOM 349 CB PHE A 25 8.284 4.776 0.676 1.00 0.00 C ATOM 350 CG PHE A 25 9.019 5.328 1.864 1.00 0.00 C ATOM 351 CD1 PHE A 25 8.590 5.050 3.153 1.00 0.00 C ATOM 352 CD2 PHE A 25 10.148 6.111 1.692 1.00 0.00 C ATOM 353 CE1 PHE A 25 9.271 5.545 4.246 1.00 0.00 C ATOM 354 CE2 PHE A 25 10.835 6.607 2.783 1.00 0.00 C ATOM 355 CZ PHE A 25 10.396 6.323 4.060 1.00 0.00 C ATOM 0 H PHE A 25 7.507 3.561 -1.347 1.00 0.00 H new ATOM 0 HA PHE A 25 9.688 3.191 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.540 5.360 -0.208 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.211 4.888 0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.712 4.439 3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.495 6.336 0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.925 5.324 5.245 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.715 7.216 2.637 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.933 6.709 4.914 1.00 0.00 H new ATOM 365 N ALA A 26 6.806 2.038 1.461 1.00 0.00 N ATOM 366 CA ALA A 26 6.188 1.210 2.496 1.00 0.00 C ATOM 367 C ALA A 26 6.968 -0.086 2.694 1.00 0.00 C ATOM 368 O ALA A 26 7.258 -0.477 3.826 1.00 0.00 O ATOM 369 CB ALA A 26 4.738 0.902 2.151 1.00 0.00 C ATOM 0 H ALA A 26 6.196 2.260 0.674 1.00 0.00 H new ATOM 0 HA ALA A 26 6.210 1.773 3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.300 0.285 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.178 1.833 2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.696 0.367 1.203 1.00 0.00 H new ATOM 375 N LEU A 27 7.303 -0.751 1.585 1.00 0.00 N ATOM 376 CA LEU A 27 8.050 -2.010 1.643 1.00 0.00 C ATOM 377 C LEU A 27 9.479 -1.799 2.165 1.00 0.00 C ATOM 378 O LEU A 27 9.965 -2.584 2.979 1.00 0.00 O ATOM 379 CB LEU A 27 8.078 -2.689 0.260 1.00 0.00 C ATOM 380 CG LEU A 27 9.330 -3.511 -0.050 1.00 0.00 C ATOM 381 CD1 LEU A 27 9.427 -4.708 0.886 1.00 0.00 C ATOM 382 CD2 LEU A 27 9.322 -3.967 -1.503 1.00 0.00 C ATOM 0 H LEU A 27 7.070 -0.441 0.642 1.00 0.00 H new ATOM 0 HA LEU A 27 7.534 -2.664 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.208 -3.341 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.973 -1.919 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 27 10.205 -2.880 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.324 -5.282 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.479 -4.360 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.548 -5.341 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.220 -4.550 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.441 -4.582 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.300 -3.096 -2.158 1.00 0.00 H new ATOM 394 N LYS A 28 10.154 -0.753 1.680 1.00 0.00 N ATOM 395 CA LYS A 28 11.535 -0.468 2.092 1.00 0.00 C ATOM 396 C LYS A 28 11.642 0.038 3.540 1.00 0.00 C ATOM 397 O LYS A 28 12.726 -0.008 4.123 1.00 0.00 O ATOM 398 CB LYS A 28 12.195 0.535 1.136 1.00 0.00 C ATOM 399 CG LYS A 28 11.485 1.877 1.048 1.00 0.00 C ATOM 400 CD LYS A 28 12.473 3.031 0.958 1.00 0.00 C ATOM 401 CE LYS A 28 13.351 2.929 -0.282 1.00 0.00 C ATOM 402 NZ LYS A 28 14.777 2.675 0.064 1.00 0.00 N ATOM 0 H LYS A 28 9.771 -0.091 1.005 1.00 0.00 H new ATOM 0 HA LYS A 28 12.066 -1.419 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.223 0.702 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.239 0.095 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.833 1.887 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.848 2.010 1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.928 3.975 0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.102 3.042 1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.984 2.126 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.276 3.852 -0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.258 2.235 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.243 3.575 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.827 2.037 0.884 1.00 0.00 H new ATOM 416 N GLN A 29 10.536 0.513 4.126 1.00 0.00 N ATOM 417 CA GLN A 29 10.567 1.006 5.507 1.00 0.00 C ATOM 418 C GLN A 29 10.339 -0.131 6.506 1.00 0.00 C ATOM 419 O GLN A 29 10.975 -0.173 7.559 1.00 0.00 O ATOM 420 CB GLN A 29 9.524 2.100 5.737 1.00 0.00 C ATOM 421 CG GLN A 29 9.645 2.748 7.111 1.00 0.00 C ATOM 422 CD GLN A 29 9.992 4.224 7.049 1.00 0.00 C ATOM 423 OE1 GLN A 29 9.192 5.076 7.434 1.00 0.00 O ATOM 424 NE2 GLN A 29 11.191 4.534 6.567 1.00 0.00 N ATOM 0 H GLN A 29 9.623 0.566 3.674 1.00 0.00 H new ATOM 0 HA GLN A 29 11.559 1.429 5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.631 2.865 4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.527 1.674 5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.704 2.625 7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.410 2.226 7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.823 3.795 6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.479 5.511 6.505 1.00 0.00 H new ATOM 433 N HIS A 30 9.434 -1.054 6.164 1.00 0.00 N ATOM 434 CA HIS A 30 9.132 -2.195 7.028 1.00 0.00 C ATOM 435 C HIS A 30 9.810 -3.452 6.509 1.00 0.00 C ATOM 436 O HIS A 30 9.639 -3.830 5.351 1.00 0.00 O ATOM 437 CB HIS A 30 7.625 -2.423 7.128 1.00 0.00 C ATOM 438 CG HIS A 30 7.199 -2.938 8.468 1.00 0.00 C ATOM 439 ND1 HIS A 30 6.417 -2.217 9.345 1.00 0.00 N ATOM 440 CD2 HIS A 30 7.463 -4.112 9.083 1.00 0.00 C ATOM 441 CE1 HIS A 30 6.222 -2.925 10.442 1.00 0.00 C ATOM 442 NE2 HIS A 30 6.845 -4.080 10.307 1.00 0.00 N ATOM 0 H HIS A 30 8.900 -1.031 5.296 1.00 0.00 H new ATOM 0 HA HIS A 30 9.515 -1.969 8.023 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.107 -1.486 6.924 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.318 -3.131 6.358 1.00 0.00 H new ATOM 0 HD2 HIS A 30 8.052 -4.925 8.684 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.650 -2.612 11.303 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.864 -4.828 11.000 1.00 0.00 H new ATOM 451 N ALA A 31 10.584 -4.091 7.376 1.00 0.00 N ATOM 452 CA ALA A 31 11.300 -5.307 7.014 1.00 0.00 C ATOM 453 C ALA A 31 11.862 -6.007 8.252 1.00 0.00 C ATOM 454 O ALA A 31 13.018 -6.436 8.268 1.00 0.00 O ATOM 455 CB ALA A 31 12.407 -4.975 6.025 1.00 0.00 C ATOM 0 H ALA A 31 10.732 -3.786 8.338 1.00 0.00 H new ATOM 0 HA ALA A 31 10.600 -5.997 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.940 -5.887 5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.973 -4.531 5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.102 -4.269 6.480 1.00 0.00 H new ATOM 461 N GLU A 32 11.031 -6.119 9.288 1.00 0.00 N ATOM 462 CA GLU A 32 11.430 -6.763 10.537 1.00 0.00 C ATOM 463 C GLU A 32 11.730 -8.251 10.319 1.00 0.00 C ATOM 464 O GLU A 32 12.656 -8.798 10.921 1.00 0.00 O ATOM 465 CB GLU A 32 10.332 -6.564 11.598 1.00 0.00 C ATOM 466 CG GLU A 32 9.889 -7.836 12.305 1.00 0.00 C ATOM 467 CD GLU A 32 8.488 -7.730 12.877 1.00 0.00 C ATOM 468 OE1 GLU A 32 8.327 -7.099 13.942 1.00 0.00 O ATOM 469 OE2 GLU A 32 7.552 -8.281 12.259 1.00 0.00 O ATOM 0 H GLU A 32 10.073 -5.770 9.285 1.00 0.00 H new ATOM 0 HA GLU A 32 12.349 -6.298 10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.692 -5.857 12.345 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.464 -6.109 11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.929 -8.669 11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.589 -8.063 13.109 1.00 0.00 H new ATOM 476 N GLN A 33 10.945 -8.894 9.455 1.00 0.00 N ATOM 477 CA GLN A 33 11.124 -10.316 9.151 1.00 0.00 C ATOM 478 C GLN A 33 11.716 -10.532 7.749 1.00 0.00 C ATOM 479 O GLN A 33 11.715 -11.655 7.241 1.00 0.00 O ATOM 480 CB GLN A 33 9.794 -11.074 9.274 1.00 0.00 C ATOM 481 CG GLN A 33 8.602 -10.212 9.671 1.00 0.00 C ATOM 482 CD GLN A 33 7.361 -11.031 9.978 1.00 0.00 C ATOM 483 OE1 GLN A 33 7.451 -12.176 10.425 1.00 0.00 O ATOM 484 NE2 GLN A 33 6.191 -10.448 9.742 1.00 0.00 N ATOM 0 H GLN A 33 10.176 -8.452 8.951 1.00 0.00 H new ATOM 0 HA GLN A 33 11.830 -10.710 9.882 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.576 -11.554 8.320 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.912 -11.869 10.011 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.865 -9.617 10.546 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.380 -9.513 8.865 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.160 -9.498 9.372 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.324 -10.950 9.931 1.00 0.00 H new ATOM 493 N ASN A 34 12.230 -9.458 7.135 1.00 0.00 N ATOM 494 CA ASN A 34 12.836 -9.529 5.802 1.00 0.00 C ATOM 495 C ASN A 34 11.920 -10.227 4.790 1.00 0.00 C ATOM 496 O ASN A 34 12.075 -11.418 4.514 1.00 0.00 O ATOM 497 CB ASN A 34 14.194 -10.241 5.876 1.00 0.00 C ATOM 498 CG ASN A 34 14.849 -10.410 4.514 1.00 0.00 C ATOM 499 OD1 ASN A 34 14.913 -11.517 3.979 1.00 0.00 O ATOM 500 ND2 ASN A 34 15.340 -9.314 3.946 1.00 0.00 N ATOM 0 H ASN A 34 12.237 -8.524 7.545 1.00 0.00 H new ATOM 0 HA ASN A 34 12.984 -8.507 5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.861 -9.674 6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.060 -11.221 6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.791 -9.371 3.033 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.266 -8.416 4.423 1.00 0.00 H new ATOM 507 N LEU A 35 10.980 -9.470 4.226 1.00 0.00 N ATOM 508 CA LEU A 35 10.052 -10.004 3.228 1.00 0.00 C ATOM 509 C LEU A 35 10.216 -9.269 1.903 1.00 0.00 C ATOM 510 O LEU A 35 10.866 -8.223 1.843 1.00 0.00 O ATOM 511 CB LEU A 35 8.604 -9.929 3.738 1.00 0.00 C ATOM 512 CG LEU A 35 7.818 -8.669 3.356 1.00 0.00 C ATOM 513 CD1 LEU A 35 6.611 -9.035 2.504 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.380 -7.910 4.600 1.00 0.00 C ATOM 0 H LEU A 35 10.840 -8.483 4.443 1.00 0.00 H new ATOM 0 HA LEU A 35 10.287 -11.055 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.063 -10.798 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.619 -10.008 4.825 1.00 0.00 H new ATOM 0 HG LEU A 35 8.472 -8.021 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.063 -8.130 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.946 -9.534 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.959 -9.704 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.824 -7.020 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.744 -8.550 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.258 -7.616 5.175 1.00 0.00 H new ATOM 526 N ILE A 36 9.666 -9.841 0.834 1.00 0.00 N ATOM 527 CA ILE A 36 9.805 -9.251 -0.492 1.00 0.00 C ATOM 528 C ILE A 36 8.461 -8.984 -1.152 1.00 0.00 C ATOM 529 O ILE A 36 7.654 -9.894 -1.320 1.00 0.00 O ATOM 530 CB ILE A 36 10.630 -10.180 -1.407 1.00 0.00 C ATOM 531 CG1 ILE A 36 11.423 -11.201 -0.574 1.00 0.00 C ATOM 532 CG2 ILE A 36 11.554 -9.363 -2.293 1.00 0.00 C ATOM 533 CD1 ILE A 36 11.884 -12.405 -1.364 1.00 0.00 C ATOM 0 H ILE A 36 9.125 -10.705 0.861 1.00 0.00 H new ATOM 0 HA ILE A 36 10.315 -8.297 -0.357 1.00 0.00 H new ATOM 0 HB ILE A 36 9.944 -10.734 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.293 -10.706 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.803 -11.538 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.130 -10.032 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.962 -8.689 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.234 -8.781 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.436 -13.080 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.018 -12.925 -1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.531 -12.080 -2.179 1.00 0.00 H new ATOM 545 N LEU A 37 8.241 -7.730 -1.548 1.00 0.00 N ATOM 546 CA LEU A 37 7.004 -7.344 -2.213 1.00 0.00 C ATOM 547 C LEU A 37 7.140 -7.493 -3.725 1.00 0.00 C ATOM 548 O LEU A 37 7.942 -6.804 -4.358 1.00 0.00 O ATOM 549 CB LEU A 37 6.639 -5.904 -1.859 1.00 0.00 C ATOM 550 CG LEU A 37 5.194 -5.507 -2.166 1.00 0.00 C ATOM 551 CD1 LEU A 37 4.278 -5.897 -1.014 1.00 0.00 C ATOM 552 CD2 LEU A 37 5.098 -4.016 -2.446 1.00 0.00 C ATOM 0 H LEU A 37 8.905 -6.967 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 37 6.208 -8.004 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.824 -5.749 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.307 -5.233 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 37 4.871 -6.044 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.254 -5.607 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.324 -6.975 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.599 -5.388 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.063 -3.752 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.440 -3.459 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.723 -3.766 -3.303 1.00 0.00 H new ATOM 564 N ALA A 38 6.350 -8.399 -4.295 1.00 0.00 N ATOM 565 CA ALA A 38 6.371 -8.650 -5.732 1.00 0.00 C ATOM 566 C ALA A 38 5.876 -7.438 -6.518 1.00 0.00 C ATOM 567 O ALA A 38 6.293 -7.225 -7.657 1.00 0.00 O ATOM 568 CB ALA A 38 5.536 -9.877 -6.069 1.00 0.00 C ATOM 0 H ALA A 38 5.684 -8.974 -3.780 1.00 0.00 H new ATOM 0 HA ALA A 38 7.405 -8.836 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.562 -10.051 -7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.941 -10.746 -5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.506 -9.714 -5.753 1.00 0.00 H new ATOM 574 N GLY A 39 4.990 -6.640 -5.910 1.00 0.00 N ATOM 575 CA GLY A 39 4.478 -5.464 -6.596 1.00 0.00 C ATOM 576 C GLY A 39 3.216 -4.897 -5.970 1.00 0.00 C ATOM 577 O GLY A 39 2.655 -5.481 -5.042 1.00 0.00 O ATOM 0 H GLY A 39 4.625 -6.787 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.249 -4.693 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.275 -5.720 -7.636 1.00 0.00 H new ATOM 581 N VAL A 40 2.776 -3.750 -6.492 1.00 0.00 N ATOM 582 CA VAL A 40 1.574 -3.073 -6.005 1.00 0.00 C ATOM 583 C VAL A 40 0.315 -3.703 -6.610 1.00 0.00 C ATOM 584 O VAL A 40 0.249 -3.937 -7.817 1.00 0.00 O ATOM 585 CB VAL A 40 1.630 -1.555 -6.334 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.238 -0.977 -6.591 1.00 0.00 C ATOM 587 CG2 VAL A 40 2.341 -0.794 -5.215 1.00 0.00 C ATOM 0 H VAL A 40 3.241 -3.267 -7.261 1.00 0.00 H new ATOM 0 HA VAL A 40 1.532 -3.191 -4.922 1.00 0.00 H new ATOM 0 HB VAL A 40 2.201 -1.435 -7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.322 0.086 -6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.220 -1.493 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.381 -1.112 -5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.372 0.268 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.801 -0.935 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.358 -1.172 -5.107 1.00 0.00 H new ATOM 597 N ASP A 41 -0.677 -3.981 -5.761 1.00 0.00 N ATOM 598 CA ASP A 41 -1.928 -4.591 -6.213 1.00 0.00 C ATOM 599 C ASP A 41 -3.070 -3.574 -6.226 1.00 0.00 C ATOM 600 O ASP A 41 -3.623 -3.268 -7.282 1.00 0.00 O ATOM 601 CB ASP A 41 -2.298 -5.776 -5.314 1.00 0.00 C ATOM 602 CG ASP A 41 -2.796 -6.973 -6.103 1.00 0.00 C ATOM 603 OD1 ASP A 41 -3.892 -6.881 -6.694 1.00 0.00 O ATOM 604 OD2 ASP A 41 -2.091 -8.003 -6.129 1.00 0.00 O ATOM 0 H ASP A 41 -0.638 -3.794 -4.759 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.775 -4.946 -7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.427 -6.069 -4.728 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.068 -5.465 -4.608 1.00 0.00 H new ATOM 609 N ALA A 42 -3.415 -3.058 -5.047 1.00 0.00 N ATOM 610 CA ALA A 42 -4.490 -2.078 -4.913 1.00 0.00 C ATOM 611 C ALA A 42 -4.081 -0.949 -3.973 1.00 0.00 C ATOM 612 O ALA A 42 -3.115 -1.084 -3.223 1.00 0.00 O ATOM 613 CB ALA A 42 -5.758 -2.752 -4.412 1.00 0.00 C ATOM 0 H ALA A 42 -2.962 -3.305 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.686 -1.648 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.551 -2.010 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.065 -3.522 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.568 -3.207 -3.440 1.00 0.00 H new ATOM 619 N GLY A 43 -4.811 0.166 -4.015 1.00 0.00 N ATOM 620 CA GLY A 43 -4.474 1.285 -3.156 1.00 0.00 C ATOM 621 C GLY A 43 -5.649 2.171 -2.790 1.00 0.00 C ATOM 622 O GLY A 43 -6.700 2.130 -3.427 1.00 0.00 O ATOM 0 H GLY A 43 -5.619 0.311 -4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.025 0.901 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.717 1.893 -3.652 1.00 0.00 H new ATOM 626 N GLN A 44 -5.447 2.978 -1.750 1.00 0.00 N ATOM 627 CA GLN A 44 -6.459 3.901 -1.249 1.00 0.00 C ATOM 628 C GLN A 44 -5.788 5.127 -0.624 1.00 0.00 C ATOM 629 O GLN A 44 -4.690 5.022 -0.075 1.00 0.00 O ATOM 630 CB GLN A 44 -7.328 3.202 -0.198 1.00 0.00 C ATOM 631 CG GLN A 44 -8.174 2.067 -0.755 1.00 0.00 C ATOM 632 CD GLN A 44 -8.820 1.228 0.332 1.00 0.00 C ATOM 633 OE1 GLN A 44 -9.429 1.757 1.262 1.00 0.00 O ATOM 634 NE2 GLN A 44 -8.693 -0.091 0.221 1.00 0.00 N ATOM 0 H GLN A 44 -4.570 3.009 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.086 4.221 -2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.684 2.810 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.985 3.939 0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.951 2.481 -1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.550 1.427 -1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.180 -0.490 -0.565 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.108 -0.704 0.922 1.00 0.00 H new ATOM 643 N ILE A 45 -6.443 6.284 -0.703 1.00 0.00 N ATOM 644 CA ILE A 45 -5.888 7.513 -0.133 1.00 0.00 C ATOM 645 C ILE A 45 -6.937 8.270 0.681 1.00 0.00 C ATOM 646 O ILE A 45 -8.041 8.528 0.200 1.00 0.00 O ATOM 647 CB ILE A 45 -5.317 8.445 -1.228 1.00 0.00 C ATOM 648 CG1 ILE A 45 -4.169 7.757 -1.972 1.00 0.00 C ATOM 649 CG2 ILE A 45 -4.839 9.759 -0.622 1.00 0.00 C ATOM 650 CD1 ILE A 45 -4.596 7.079 -3.254 1.00 0.00 C ATOM 0 H ILE A 45 -7.352 6.398 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.074 7.211 0.527 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.114 8.662 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.401 8.496 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.713 7.017 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.441 10.399 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.675 10.260 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.058 9.559 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.730 6.614 -3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.342 6.316 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.025 7.818 -3.931 1.00 0.00 H new ATOM 662 N ILE A 46 -6.576 8.630 1.916 1.00 0.00 N ATOM 663 CA ILE A 46 -7.476 9.367 2.800 1.00 0.00 C ATOM 664 C ILE A 46 -7.009 10.815 2.940 1.00 0.00 C ATOM 665 O ILE A 46 -5.916 11.082 3.462 1.00 0.00 O ATOM 666 CB ILE A 46 -7.559 8.718 4.201 1.00 0.00 C ATOM 667 CG1 ILE A 46 -7.890 7.225 4.086 1.00 0.00 C ATOM 668 CG2 ILE A 46 -8.599 9.428 5.057 1.00 0.00 C ATOM 669 CD1 ILE A 46 -7.151 6.361 5.086 1.00 0.00 C ATOM 0 H ILE A 46 -5.665 8.421 2.324 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.469 9.340 2.351 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.587 8.819 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.963 7.088 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.651 6.885 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.644 8.958 6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.324 10.477 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.575 9.358 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.435 5.318 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.077 6.468 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.409 6.674 6.098 1.00 0.00 H new ATOM 681 N LYS A 47 -7.834 11.744 2.445 1.00 0.00 N ATOM 682 CA LYS A 47 -7.506 13.166 2.493 1.00 0.00 C ATOM 683 C LYS A 47 -8.702 14.042 2.879 1.00 0.00 C ATOM 684 O LYS A 47 -9.859 13.689 2.646 1.00 0.00 O ATOM 685 CB LYS A 47 -6.946 13.630 1.143 1.00 0.00 C ATOM 686 CG LYS A 47 -7.566 12.939 -0.064 1.00 0.00 C ATOM 687 CD LYS A 47 -8.973 13.448 -0.339 1.00 0.00 C ATOM 688 CE LYS A 47 -9.073 14.109 -1.704 1.00 0.00 C ATOM 689 NZ LYS A 47 -9.592 13.174 -2.740 1.00 0.00 N ATOM 0 H LYS A 47 -8.731 11.534 2.008 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.752 13.283 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.099 14.705 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.870 13.459 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.940 13.106 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.595 11.863 0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.678 12.618 -0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.260 14.162 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.728 14.978 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.090 14.473 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.644 13.665 -3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.954 12.357 -2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.541 12.846 -2.468 1.00 0.00 H new ATOM 703 N GLY A 48 -8.382 15.214 3.426 1.00 0.00 N ATOM 704 CA GLY A 48 -9.381 16.204 3.805 1.00 0.00 C ATOM 705 C GLY A 48 -8.934 17.563 3.305 1.00 0.00 C ATOM 706 O GLY A 48 -9.470 18.087 2.328 1.00 0.00 O ATOM 0 H GLY A 48 -7.422 15.501 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.350 15.945 3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.503 16.222 4.888 1.00 0.00 H new ATOM 710 N ILE A 49 -7.886 18.081 3.940 1.00 0.00 N ATOM 711 CA ILE A 49 -7.259 19.334 3.541 1.00 0.00 C ATOM 712 C ILE A 49 -5.799 19.002 3.218 1.00 0.00 C ATOM 713 O ILE A 49 -5.032 18.629 4.109 1.00 0.00 O ATOM 714 CB ILE A 49 -7.380 20.430 4.640 1.00 0.00 C ATOM 715 CG1 ILE A 49 -8.185 21.618 4.107 1.00 0.00 C ATOM 716 CG2 ILE A 49 -6.018 20.898 5.145 1.00 0.00 C ATOM 717 CD1 ILE A 49 -7.530 22.323 2.937 1.00 0.00 C ATOM 0 H ILE A 49 -7.447 17.640 4.749 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.762 19.756 2.671 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.901 19.986 5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.172 21.269 3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.335 22.335 4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.156 21.662 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.478 20.052 5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.446 21.314 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.158 23.153 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.555 22.703 3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.405 21.621 2.113 1.00 0.00 H new ATOM 729 N PRO A 50 -5.410 19.036 1.929 1.00 0.00 N ATOM 730 CA PRO A 50 -4.066 18.643 1.523 1.00 0.00 C ATOM 731 C PRO A 50 -3.005 19.731 1.595 1.00 0.00 C ATOM 732 O PRO A 50 -3.049 20.732 0.880 1.00 0.00 O ATOM 733 CB PRO A 50 -4.263 18.194 0.084 1.00 0.00 C ATOM 734 CG PRO A 50 -5.361 19.070 -0.423 1.00 0.00 C ATOM 735 CD PRO A 50 -6.257 19.361 0.763 1.00 0.00 C ATOM 0 HA PRO A 50 -3.677 17.886 2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.352 18.318 -0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.536 17.140 0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.960 19.993 -0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.918 18.574 -1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.576 20.403 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.160 18.751 0.742 1.00 0.00 H new ATOM 743 N HIS A 51 -2.010 19.449 2.420 1.00 0.00 N ATOM 744 CA HIS A 51 -0.837 20.295 2.584 1.00 0.00 C ATOM 745 C HIS A 51 0.390 19.447 2.223 1.00 0.00 C ATOM 746 O HIS A 51 1.507 19.705 2.673 1.00 0.00 O ATOM 747 CB HIS A 51 -0.737 20.812 4.023 1.00 0.00 C ATOM 748 CG HIS A 51 -0.026 22.126 4.149 1.00 0.00 C ATOM 749 ND1 HIS A 51 -0.419 23.111 5.029 1.00 0.00 N ATOM 750 CD2 HIS A 51 1.065 22.612 3.508 1.00 0.00 C ATOM 751 CE1 HIS A 51 0.397 24.144 4.926 1.00 0.00 C ATOM 752 NE2 HIS A 51 1.306 23.866 4.011 1.00 0.00 N ATOM 0 H HIS A 51 -1.993 18.613 3.004 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.902 21.169 1.935 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.742 20.913 4.433 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.218 20.070 4.630 1.00 0.00 H new ATOM 0 HD2 HIS A 51 1.638 22.107 2.744 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.332 25.060 5.494 1.00 0.00 H new ATOM 0 HE2 HIS A 51 2.065 24.483 3.724 1.00 0.00 H new ATOM 761 N TRP A 52 0.130 18.403 1.418 1.00 0.00 N ATOM 762 CA TRP A 52 1.130 17.445 0.973 1.00 0.00 C ATOM 763 C TRP A 52 1.527 16.479 2.093 1.00 0.00 C ATOM 764 O TRP A 52 2.639 15.949 2.113 1.00 0.00 O ATOM 765 CB TRP A 52 2.342 18.131 0.348 1.00 0.00 C ATOM 766 CG TRP A 52 2.880 17.377 -0.835 1.00 0.00 C ATOM 767 CD1 TRP A 52 4.173 17.359 -1.267 1.00 0.00 C ATOM 768 CD2 TRP A 52 2.143 16.522 -1.733 1.00 0.00 C ATOM 769 NE1 TRP A 52 4.294 16.546 -2.367 1.00 0.00 N ATOM 770 CE2 TRP A 52 3.065 16.020 -2.671 1.00 0.00 C ATOM 771 CE3 TRP A 52 0.796 16.126 -1.837 1.00 0.00 C ATOM 772 CZ2 TRP A 52 2.692 15.147 -3.690 1.00 0.00 C ATOM 773 CZ3 TRP A 52 0.434 15.259 -2.849 1.00 0.00 C ATOM 774 CH2 TRP A 52 1.379 14.776 -3.762 1.00 0.00 C ATOM 0 H TRP A 52 -0.803 18.206 1.057 1.00 0.00 H new ATOM 0 HA TRP A 52 0.671 16.847 0.186 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.066 19.139 0.038 1.00 0.00 H new ATOM 0 HB3 TRP A 52 3.126 18.232 1.098 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.985 17.905 -0.810 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.159 16.363 -2.876 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.059 16.494 -1.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.416 14.776 -4.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.596 14.948 -2.938 1.00 0.00 H new ATOM 0 HH2 TRP A 52 1.064 14.096 -4.539 1.00 0.00 H new ATOM 785 N ASP A 53 0.576 16.227 2.995 1.00 0.00 N ATOM 786 CA ASP A 53 0.759 15.291 4.103 1.00 0.00 C ATOM 787 C ASP A 53 -0.319 14.197 4.037 1.00 0.00 C ATOM 788 O ASP A 53 -0.724 13.640 5.059 1.00 0.00 O ATOM 789 CB ASP A 53 0.702 16.026 5.444 1.00 0.00 C ATOM 790 CG ASP A 53 1.813 15.594 6.379 1.00 0.00 C ATOM 791 OD1 ASP A 53 2.960 16.047 6.184 1.00 0.00 O ATOM 792 OD2 ASP A 53 1.539 14.800 7.302 1.00 0.00 O ATOM 0 H ASP A 53 -0.344 16.668 2.976 1.00 0.00 H new ATOM 0 HA ASP A 53 1.741 14.826 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.771 17.100 5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.262 15.841 5.918 1.00 0.00 H new ATOM 797 N ASN A 54 -0.799 13.936 2.815 1.00 0.00 N ATOM 798 CA ASN A 54 -1.862 12.961 2.557 1.00 0.00 C ATOM 799 C ASN A 54 -1.598 11.598 3.194 1.00 0.00 C ATOM 800 O ASN A 54 -0.449 11.170 3.329 1.00 0.00 O ATOM 801 CB ASN A 54 -2.055 12.802 1.045 1.00 0.00 C ATOM 802 CG ASN A 54 -3.513 12.641 0.657 1.00 0.00 C ATOM 803 OD1 ASN A 54 -4.248 11.868 1.272 1.00 0.00 O ATOM 804 ND2 ASN A 54 -3.941 13.372 -0.367 1.00 0.00 N ATOM 0 H ASN A 54 -0.457 14.399 1.973 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.769 13.350 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.641 13.673 0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.493 11.934 0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.912 13.305 -0.671 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.298 14.000 -0.849 1.00 0.00 H new ATOM 811 N TYR A 55 -2.686 10.912 3.567 1.00 0.00 N ATOM 812 CA TYR A 55 -2.595 9.588 4.173 1.00 0.00 C ATOM 813 C TYR A 55 -2.836 8.515 3.117 1.00 0.00 C ATOM 814 O TYR A 55 -3.777 8.614 2.328 1.00 0.00 O ATOM 815 CB TYR A 55 -3.612 9.454 5.310 1.00 0.00 C ATOM 816 CG TYR A 55 -2.996 9.321 6.689 1.00 0.00 C ATOM 817 CD1 TYR A 55 -1.684 9.713 6.943 1.00 0.00 C ATOM 818 CD2 TYR A 55 -3.736 8.801 7.742 1.00 0.00 C ATOM 819 CE1 TYR A 55 -1.133 9.586 8.203 1.00 0.00 C ATOM 820 CE2 TYR A 55 -3.192 8.674 9.004 1.00 0.00 C ATOM 821 CZ TYR A 55 -1.892 9.066 9.230 1.00 0.00 C ATOM 822 OH TYR A 55 -1.350 8.941 10.488 1.00 0.00 O ATOM 0 H TYR A 55 -3.639 11.258 3.457 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.595 9.457 4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.266 10.326 5.300 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.239 8.583 5.120 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.088 10.123 6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.756 8.490 7.571 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.113 9.892 8.383 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.784 8.269 9.811 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.017 8.559 11.095 1.00 0.00 H new ATOM 832 N TYR A 56 -1.973 7.501 3.090 1.00 0.00 N ATOM 833 CA TYR A 56 -2.091 6.430 2.108 1.00 0.00 C ATOM 834 C TYR A 56 -2.339 5.069 2.767 1.00 0.00 C ATOM 835 O TYR A 56 -1.816 4.774 3.842 1.00 0.00 O ATOM 836 CB TYR A 56 -0.830 6.384 1.239 1.00 0.00 C ATOM 837 CG TYR A 56 -0.806 7.437 0.146 1.00 0.00 C ATOM 838 CD1 TYR A 56 -0.680 8.787 0.463 1.00 0.00 C ATOM 839 CD2 TYR A 56 -0.908 7.090 -1.199 1.00 0.00 C ATOM 840 CE1 TYR A 56 -0.660 9.755 -0.521 1.00 0.00 C ATOM 841 CE2 TYR A 56 -0.886 8.055 -2.187 1.00 0.00 C ATOM 842 CZ TYR A 56 -0.764 9.384 -1.844 1.00 0.00 C ATOM 843 OH TYR A 56 -0.746 10.343 -2.829 1.00 0.00 O ATOM 0 H TYR A 56 -1.189 7.400 3.734 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.957 6.644 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.045 6.514 1.876 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.749 5.397 0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.596 9.082 1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.006 6.050 -1.474 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.563 10.797 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.964 7.769 -3.225 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.207 11.106 -2.533 1.00 0.00 H new ATOM 853 N ASN A 57 -3.148 4.252 2.094 1.00 0.00 N ATOM 854 CA ASN A 57 -3.502 2.909 2.557 1.00 0.00 C ATOM 855 C ASN A 57 -3.614 1.989 1.346 1.00 0.00 C ATOM 856 O ASN A 57 -4.441 2.232 0.473 1.00 0.00 O ATOM 857 CB ASN A 57 -4.835 2.949 3.312 1.00 0.00 C ATOM 858 CG ASN A 57 -5.190 1.619 3.950 1.00 0.00 C ATOM 859 OD1 ASN A 57 -6.249 1.053 3.679 1.00 0.00 O ATOM 860 ND2 ASN A 57 -4.309 1.114 4.807 1.00 0.00 N ATOM 0 H ASN A 57 -3.580 4.505 1.205 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.733 2.536 3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.787 3.716 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.629 3.240 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.499 0.224 5.269 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.443 1.616 5.003 1.00 0.00 H new ATOM 867 N LEU A 58 -2.764 0.964 1.258 1.00 0.00 N ATOM 868 CA LEU A 58 -2.796 0.085 0.083 1.00 0.00 C ATOM 869 C LEU A 58 -2.530 -1.386 0.398 1.00 0.00 C ATOM 870 O LEU A 58 -2.000 -1.734 1.455 1.00 0.00 O ATOM 871 CB LEU A 58 -1.759 0.567 -0.936 1.00 0.00 C ATOM 872 CG LEU A 58 -1.925 2.014 -1.410 1.00 0.00 C ATOM 873 CD1 LEU A 58 -1.062 2.952 -0.581 1.00 0.00 C ATOM 874 CD2 LEU A 58 -1.587 2.139 -2.889 1.00 0.00 C ATOM 0 H LEU A 58 -2.065 0.725 1.961 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.810 0.142 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.767 0.458 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.798 -0.089 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.968 2.299 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.194 3.975 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.357 2.888 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.015 2.666 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.712 3.175 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.554 1.831 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.253 1.500 -3.470 1.00 0.00 H new ATOM 886 N ILE A 59 -2.880 -2.233 -0.576 1.00 0.00 N ATOM 887 CA ILE A 59 -2.671 -3.681 -0.494 1.00 0.00 C ATOM 888 C ILE A 59 -1.753 -4.113 -1.636 1.00 0.00 C ATOM 889 O ILE A 59 -1.972 -3.728 -2.785 1.00 0.00 O ATOM 890 CB ILE A 59 -3.989 -4.484 -0.613 1.00 0.00 C ATOM 891 CG1 ILE A 59 -5.188 -3.656 -0.133 1.00 0.00 C ATOM 892 CG2 ILE A 59 -3.887 -5.791 0.165 1.00 0.00 C ATOM 893 CD1 ILE A 59 -5.213 -3.427 1.361 1.00 0.00 C ATOM 0 H ILE A 59 -3.318 -1.931 -1.446 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.235 -3.888 0.483 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.149 -4.719 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.177 -2.691 -0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.108 -4.160 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.822 -6.344 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.069 -6.390 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.697 -5.575 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.089 -2.834 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.257 -4.387 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.311 -2.894 1.663 1.00 0.00 H new ATOM 905 N LEU A 60 -0.723 -4.894 -1.329 1.00 0.00 N ATOM 906 CA LEU A 60 0.215 -5.341 -2.355 1.00 0.00 C ATOM 907 C LEU A 60 0.540 -6.832 -2.212 1.00 0.00 C ATOM 908 O LEU A 60 0.203 -7.461 -1.205 1.00 0.00 O ATOM 909 CB LEU A 60 1.505 -4.508 -2.296 1.00 0.00 C ATOM 910 CG LEU A 60 1.344 -3.044 -1.857 1.00 0.00 C ATOM 911 CD1 LEU A 60 1.306 -2.927 -0.340 1.00 0.00 C ATOM 912 CD2 LEU A 60 2.470 -2.194 -2.425 1.00 0.00 C ATOM 0 H LEU A 60 -0.517 -5.229 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.261 -5.196 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.198 -4.997 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.968 -4.522 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 60 0.395 -2.677 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.191 -1.880 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.465 -3.501 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.235 -3.316 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.342 -1.160 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.427 -2.570 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.449 -2.242 -3.514 1.00 0.00 H new ATOM 924 N SER A 61 1.206 -7.385 -3.230 1.00 0.00 N ATOM 925 CA SER A 61 1.597 -8.795 -3.229 1.00 0.00 C ATOM 926 C SER A 61 3.057 -8.931 -2.808 1.00 0.00 C ATOM 927 O SER A 61 3.912 -8.166 -3.270 1.00 0.00 O ATOM 928 CB SER A 61 1.392 -9.417 -4.613 1.00 0.00 C ATOM 929 OG SER A 61 0.015 -9.598 -4.893 1.00 0.00 O ATOM 0 H SER A 61 1.486 -6.874 -4.067 1.00 0.00 H new ATOM 0 HA SER A 61 0.966 -9.326 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.839 -8.776 -5.373 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.906 -10.377 -4.663 1.00 0.00 H new ATOM 0 HG SER A 61 -0.338 -8.795 -5.330 1.00 0.00 H new ATOM 935 N ALA A 62 3.334 -9.892 -1.920 1.00 0.00 N ATOM 936 CA ALA A 62 4.692 -10.108 -1.419 1.00 0.00 C ATOM 937 C ALA A 62 4.926 -11.550 -0.969 1.00 0.00 C ATOM 938 O ALA A 62 4.045 -12.185 -0.390 1.00 0.00 O ATOM 939 CB ALA A 62 4.965 -9.160 -0.262 1.00 0.00 C ATOM 0 H ALA A 62 2.637 -10.530 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 62 5.379 -9.909 -2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.977 -9.322 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.865 -8.130 -0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.250 -9.348 0.539 1.00 0.00 H new ATOM 945 N LYS A 63 6.138 -12.046 -1.223 1.00 0.00 N ATOM 946 CA LYS A 63 6.528 -13.397 -0.829 1.00 0.00 C ATOM 947 C LYS A 63 7.972 -13.411 -0.325 1.00 0.00 C ATOM 948 O LYS A 63 8.722 -12.451 -0.525 1.00 0.00 O ATOM 949 CB LYS A 63 6.339 -14.400 -1.976 1.00 0.00 C ATOM 950 CG LYS A 63 6.823 -13.922 -3.335 1.00 0.00 C ATOM 951 CD LYS A 63 8.340 -13.968 -3.444 1.00 0.00 C ATOM 952 CE LYS A 63 8.916 -12.602 -3.781 1.00 0.00 C ATOM 953 NZ LYS A 63 8.718 -12.248 -5.216 1.00 0.00 N ATOM 0 H LYS A 63 6.871 -11.525 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 63 5.872 -13.708 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.865 -15.321 -1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.280 -14.648 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.384 -14.543 -4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.477 -12.902 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.763 -14.320 -2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.629 -14.685 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.445 -11.846 -3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.981 -12.591 -3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.126 -11.309 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.189 -12.955 -5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.701 -12.233 -5.433 1.00 0.00 H new ATOM 967 N HIS A 64 8.345 -14.494 0.353 1.00 0.00 N ATOM 968 CA HIS A 64 9.691 -14.633 0.907 1.00 0.00 C ATOM 969 C HIS A 64 10.601 -15.485 0.014 1.00 0.00 C ATOM 970 O HIS A 64 11.800 -15.591 0.278 1.00 0.00 O ATOM 971 CB HIS A 64 9.616 -15.251 2.304 1.00 0.00 C ATOM 972 CG HIS A 64 9.334 -14.259 3.389 1.00 0.00 C ATOM 973 ND1 HIS A 64 10.170 -13.592 4.217 1.00 0.00 N flip ATOM 974 CD2 HIS A 64 8.060 -13.857 3.732 1.00 0.00 C flip ATOM 975 CE1 HIS A 64 9.396 -12.809 5.035 1.00 0.00 C flip ATOM 976 NE2 HIS A 64 8.127 -12.986 4.722 1.00 0.00 N flip ATOM 0 H HIS A 64 7.733 -15.290 0.533 1.00 0.00 H new ATOM 0 HA HIS A 64 10.125 -13.635 0.962 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.839 -16.015 2.312 1.00 0.00 H new ATOM 0 HB3 HIS A 64 10.559 -15.753 2.520 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.150 -14.201 3.264 1.00 0.00 H new ATOM 0 HE1 HIS A 64 9.766 -12.154 5.810 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.333 -12.528 5.169 1.00 0.00 H new ATOM 985 N SER A 65 10.039 -16.097 -1.036 1.00 0.00 N ATOM 986 CA SER A 65 10.827 -16.939 -1.940 1.00 0.00 C ATOM 987 C SER A 65 10.195 -17.025 -3.331 1.00 0.00 C ATOM 988 O SER A 65 8.971 -16.987 -3.473 1.00 0.00 O ATOM 989 CB SER A 65 10.985 -18.347 -1.361 1.00 0.00 C ATOM 990 OG SER A 65 9.870 -18.703 -0.564 1.00 0.00 O ATOM 0 H SER A 65 9.051 -16.025 -1.278 1.00 0.00 H new ATOM 0 HA SER A 65 11.808 -16.474 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.099 -19.066 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.894 -18.396 -0.761 1.00 0.00 H new ATOM 0 HG SER A 65 9.975 -19.625 -0.248 1.00 0.00 H new ATOM 996 N PRO A 66 11.036 -17.164 -4.378 1.00 0.00 N ATOM 997 CA PRO A 66 10.571 -17.272 -5.768 1.00 0.00 C ATOM 998 C PRO A 66 9.783 -18.558 -6.019 1.00 0.00 C ATOM 999 O PRO A 66 8.912 -18.602 -6.889 1.00 0.00 O ATOM 1000 CB PRO A 66 11.869 -17.267 -6.582 1.00 0.00 C ATOM 1001 CG PRO A 66 12.914 -17.749 -5.637 1.00 0.00 C ATOM 1002 CD PRO A 66 12.505 -17.246 -4.281 1.00 0.00 C ATOM 0 HA PRO A 66 9.887 -16.465 -6.032 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.792 -17.919 -7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.100 -16.268 -6.951 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.978 -18.837 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.897 -17.369 -5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.818 -17.926 -3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.948 -16.275 -4.062 1.00 0.00 H new ATOM 1010 N HIS A 67 10.091 -19.601 -5.245 1.00 0.00 N ATOM 1011 CA HIS A 67 9.411 -20.887 -5.375 1.00 0.00 C ATOM 1012 C HIS A 67 8.165 -20.962 -4.488 1.00 0.00 C ATOM 1013 O HIS A 67 7.628 -22.050 -4.266 1.00 0.00 O ATOM 1014 CB HIS A 67 10.369 -22.029 -5.019 1.00 0.00 C ATOM 1015 CG HIS A 67 11.333 -22.373 -6.112 1.00 0.00 C ATOM 1016 ND1 HIS A 67 11.423 -23.632 -6.667 1.00 0.00 N ATOM 1017 CD2 HIS A 67 12.257 -21.616 -6.749 1.00 0.00 C ATOM 1018 CE1 HIS A 67 12.361 -23.634 -7.597 1.00 0.00 C ATOM 1019 NE2 HIS A 67 12.882 -22.423 -7.666 1.00 0.00 N ATOM 0 H HIS A 67 10.809 -19.578 -4.521 1.00 0.00 H new ATOM 0 HA HIS A 67 9.092 -20.986 -6.412 1.00 0.00 H new ATOM 0 HB2 HIS A 67 10.930 -21.755 -4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 67 9.786 -22.915 -4.770 1.00 0.00 H new ATOM 0 HD2 HIS A 67 12.464 -20.571 -6.569 1.00 0.00 H new ATOM 0 HE1 HIS A 67 12.652 -24.482 -8.199 1.00 0.00 H new ATOM 0 HE2 HIS A 67 13.628 -22.134 -8.298 1.00 0.00 H new ATOM 1028 N GLU A 68 7.704 -19.814 -3.973 1.00 0.00 N ATOM 1029 CA GLU A 68 6.528 -19.795 -3.111 1.00 0.00 C ATOM 1030 C GLU A 68 5.484 -18.780 -3.570 1.00 0.00 C ATOM 1031 O GLU A 68 5.742 -17.937 -4.429 1.00 0.00 O ATOM 1032 CB GLU A 68 6.930 -19.524 -1.666 1.00 0.00 C ATOM 1033 CG GLU A 68 7.130 -20.798 -0.866 1.00 0.00 C ATOM 1034 CD GLU A 68 7.515 -20.539 0.577 1.00 0.00 C ATOM 1035 OE1 GLU A 68 6.631 -20.143 1.364 1.00 0.00 O ATOM 1036 OE2 GLU A 68 8.698 -20.738 0.922 1.00 0.00 O ATOM 0 H GLU A 68 8.125 -18.900 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 68 6.069 -20.781 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.852 -18.943 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.162 -18.916 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.211 -21.384 -0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.905 -21.400 -1.340 1.00 0.00 H new ATOM 1043 N PHE A 69 4.294 -18.904 -2.990 1.00 0.00 N ATOM 1044 CA PHE A 69 3.154 -18.047 -3.311 1.00 0.00 C ATOM 1045 C PHE A 69 3.326 -16.611 -2.834 1.00 0.00 C ATOM 1046 O PHE A 69 4.105 -16.328 -1.925 1.00 0.00 O ATOM 1047 CB PHE A 69 1.895 -18.610 -2.654 1.00 0.00 C ATOM 1048 CG PHE A 69 1.223 -19.698 -3.426 1.00 0.00 C ATOM 1049 CD1 PHE A 69 1.896 -20.865 -3.746 1.00 0.00 C ATOM 1050 CD2 PHE A 69 -0.094 -19.554 -3.820 1.00 0.00 C ATOM 1051 CE1 PHE A 69 1.261 -21.869 -4.450 1.00 0.00 C ATOM 1052 CE2 PHE A 69 -0.733 -20.548 -4.521 1.00 0.00 C ATOM 1053 CZ PHE A 69 -0.057 -21.711 -4.839 1.00 0.00 C ATOM 0 H PHE A 69 4.091 -19.606 -2.279 1.00 0.00 H new ATOM 0 HA PHE A 69 3.077 -18.034 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.156 -18.991 -1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.185 -17.797 -2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.925 -20.991 -3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.628 -18.648 -3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.793 -22.776 -4.697 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.762 -20.421 -4.823 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.557 -22.494 -5.390 1.00 0.00 H new ATOM 1063 N SER A 70 2.528 -15.725 -3.434 1.00 0.00 N ATOM 1064 CA SER A 70 2.503 -14.313 -3.069 1.00 0.00 C ATOM 1065 C SER A 70 1.184 -14.021 -2.368 1.00 0.00 C ATOM 1066 O SER A 70 0.120 -14.409 -2.855 1.00 0.00 O ATOM 1067 CB SER A 70 2.643 -13.409 -4.298 1.00 0.00 C ATOM 1068 OG SER A 70 3.515 -13.974 -5.261 1.00 0.00 O ATOM 0 H SER A 70 1.883 -15.969 -4.185 1.00 0.00 H new ATOM 0 HA SER A 70 3.347 -14.106 -2.410 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.662 -13.246 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.020 -12.433 -3.992 1.00 0.00 H new ATOM 0 HG SER A 70 3.582 -13.375 -6.033 1.00 0.00 H new ATOM 1074 N LYS A 71 1.252 -13.361 -1.221 1.00 0.00 N ATOM 1075 CA LYS A 71 0.050 -13.051 -0.456 1.00 0.00 C ATOM 1076 C LYS A 71 -0.225 -11.551 -0.419 1.00 0.00 C ATOM 1077 O LYS A 71 0.606 -10.743 -0.835 1.00 0.00 O ATOM 1078 CB LYS A 71 0.170 -13.609 0.964 1.00 0.00 C ATOM 1079 CG LYS A 71 0.327 -15.126 1.016 1.00 0.00 C ATOM 1080 CD LYS A 71 -0.683 -15.841 0.123 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.097 -15.718 0.672 1.00 0.00 C ATOM 1082 NZ LYS A 71 -3.008 -16.761 0.122 1.00 0.00 N ATOM 0 H LYS A 71 2.121 -13.031 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.794 -13.526 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.026 -13.147 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.715 -13.325 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.337 -15.396 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.206 -15.467 2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.644 -15.421 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.414 -16.894 0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.071 -15.797 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.493 -14.731 0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.959 -16.638 0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.055 -16.670 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.646 -17.704 0.371 1.00 0.00 H new ATOM 1096 N PHE A 72 -1.406 -11.193 0.079 1.00 0.00 N ATOM 1097 CA PHE A 72 -1.814 -9.799 0.176 1.00 0.00 C ATOM 1098 C PHE A 72 -1.387 -9.204 1.511 1.00 0.00 C ATOM 1099 O PHE A 72 -1.383 -9.895 2.530 1.00 0.00 O ATOM 1100 CB PHE A 72 -3.333 -9.685 0.030 1.00 0.00 C ATOM 1101 CG PHE A 72 -3.799 -9.421 -1.373 1.00 0.00 C ATOM 1102 CD1 PHE A 72 -3.141 -9.977 -2.459 1.00 0.00 C ATOM 1103 CD2 PHE A 72 -4.900 -8.616 -1.601 1.00 0.00 C ATOM 1104 CE1 PHE A 72 -3.575 -9.732 -3.747 1.00 0.00 C ATOM 1105 CE2 PHE A 72 -5.339 -8.368 -2.886 1.00 0.00 C ATOM 1106 CZ PHE A 72 -4.675 -8.927 -3.960 1.00 0.00 C ATOM 0 H PHE A 72 -2.100 -11.857 0.423 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.328 -9.245 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.791 -10.608 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.690 -8.883 0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.280 -10.608 -2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.422 -8.176 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.054 -10.170 -4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.200 -7.738 -3.051 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.017 -8.734 -4.966 1.00 0.00 H new ATOM 1116 N TYR A 73 -1.036 -7.921 1.500 1.00 0.00 N ATOM 1117 CA TYR A 73 -0.623 -7.227 2.710 1.00 0.00 C ATOM 1118 C TYR A 73 -1.183 -5.805 2.717 1.00 0.00 C ATOM 1119 O TYR A 73 -1.155 -5.115 1.700 1.00 0.00 O ATOM 1120 CB TYR A 73 0.904 -7.188 2.822 1.00 0.00 C ATOM 1121 CG TYR A 73 1.576 -8.542 2.724 1.00 0.00 C ATOM 1122 CD1 TYR A 73 1.771 -9.161 1.496 1.00 0.00 C ATOM 1123 CD2 TYR A 73 2.021 -9.197 3.865 1.00 0.00 C ATOM 1124 CE1 TYR A 73 2.386 -10.393 1.410 1.00 0.00 C ATOM 1125 CE2 TYR A 73 2.638 -10.429 3.784 1.00 0.00 C ATOM 1126 CZ TYR A 73 2.818 -11.023 2.555 1.00 0.00 C ATOM 1127 OH TYR A 73 3.431 -12.252 2.469 1.00 0.00 O ATOM 0 H TYR A 73 -1.030 -7.341 0.661 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.017 -7.772 3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.297 -6.544 2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.174 -6.730 3.774 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.436 -8.670 0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.882 -8.735 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.528 -10.862 0.447 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.978 -10.925 4.681 1.00 0.00 H new ATOM 0 HH TYR A 73 3.716 -12.411 1.545 1.00 0.00 H new ATOM 1137 N ASN A 74 -1.687 -5.382 3.871 1.00 0.00 N ATOM 1138 CA ASN A 74 -2.265 -4.051 4.037 1.00 0.00 C ATOM 1139 C ASN A 74 -1.355 -3.183 4.898 1.00 0.00 C ATOM 1140 O ASN A 74 -1.136 -3.468 6.078 1.00 0.00 O ATOM 1141 CB ASN A 74 -3.650 -4.158 4.689 1.00 0.00 C ATOM 1142 CG ASN A 74 -4.623 -3.059 4.272 1.00 0.00 C ATOM 1143 OD1 ASN A 74 -4.111 -1.908 3.837 1.00 0.00 O flip ATOM 1144 ND2 ASN A 74 -5.837 -3.246 4.346 1.00 0.00 N flip ATOM 0 H ASN A 74 -1.707 -5.950 4.718 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.366 -3.590 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.084 -5.126 4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.532 -4.132 5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.196 -4.139 4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.484 -2.508 4.070 1.00 0.00 H new ATOM 1151 N VAL A 75 -0.822 -2.125 4.292 1.00 0.00 N ATOM 1152 CA VAL A 75 0.074 -1.209 4.987 1.00 0.00 C ATOM 1153 C VAL A 75 -0.454 0.222 4.966 1.00 0.00 C ATOM 1154 O VAL A 75 -1.038 0.673 3.972 1.00 0.00 O ATOM 1155 CB VAL A 75 1.491 -1.216 4.368 1.00 0.00 C ATOM 1156 CG1 VAL A 75 2.292 -2.401 4.870 1.00 0.00 C ATOM 1157 CG2 VAL A 75 1.424 -1.216 2.846 1.00 0.00 C ATOM 0 H VAL A 75 -0.997 -1.882 3.317 1.00 0.00 H new ATOM 0 HA VAL A 75 0.125 -1.562 6.017 1.00 0.00 H new ATOM 0 HB VAL A 75 1.998 -0.304 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.285 -2.385 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.383 -2.345 5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.784 -3.326 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.434 -1.221 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.890 -2.103 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.899 -0.324 2.505 1.00 0.00 H new ATOM 1167 N VAL A 76 -0.213 0.935 6.065 1.00 0.00 N ATOM 1168 CA VAL A 76 -0.619 2.329 6.196 1.00 0.00 C ATOM 1169 C VAL A 76 0.610 3.218 6.036 1.00 0.00 C ATOM 1170 O VAL A 76 1.624 3.000 6.700 1.00 0.00 O ATOM 1171 CB VAL A 76 -1.283 2.610 7.562 1.00 0.00 C ATOM 1172 CG1 VAL A 76 -1.852 4.020 7.605 1.00 0.00 C ATOM 1173 CG2 VAL A 76 -2.370 1.586 7.856 1.00 0.00 C ATOM 0 H VAL A 76 0.267 0.563 6.885 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.355 2.544 5.421 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.517 2.526 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.315 4.196 8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.050 4.741 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.600 4.135 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.823 1.804 8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.133 1.632 7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.933 0.588 7.877 1.00 0.00 H new ATOM 1183 N VAL A 77 0.529 4.193 5.135 1.00 0.00 N ATOM 1184 CA VAL A 77 1.657 5.087 4.872 1.00 0.00 C ATOM 1185 C VAL A 77 1.276 6.554 5.000 1.00 0.00 C ATOM 1186 O VAL A 77 0.156 6.951 4.682 1.00 0.00 O ATOM 1187 CB VAL A 77 2.252 4.868 3.464 1.00 0.00 C ATOM 1188 CG1 VAL A 77 3.474 3.967 3.531 1.00 0.00 C ATOM 1189 CG2 VAL A 77 1.208 4.303 2.513 1.00 0.00 C ATOM 0 H VAL A 77 -0.302 4.385 4.576 1.00 0.00 H new ATOM 0 HA VAL A 77 2.401 4.840 5.630 1.00 0.00 H new ATOM 0 HB VAL A 77 2.567 5.836 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.877 3.826 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.231 4.428 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.191 3.000 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.653 4.158 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.849 3.347 2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.373 4.999 2.435 1.00 0.00 H new ATOM 1199 N LEU A 78 2.236 7.352 5.456 1.00 0.00 N ATOM 1200 CA LEU A 78 2.046 8.782 5.622 1.00 0.00 C ATOM 1201 C LEU A 78 3.049 9.555 4.771 1.00 0.00 C ATOM 1202 O LEU A 78 4.251 9.297 4.830 1.00 0.00 O ATOM 1203 CB LEU A 78 2.219 9.160 7.089 1.00 0.00 C ATOM 1204 CG LEU A 78 2.427 10.656 7.356 1.00 0.00 C ATOM 1205 CD1 LEU A 78 1.317 11.486 6.719 1.00 0.00 C ATOM 1206 CD2 LEU A 78 2.504 10.923 8.851 1.00 0.00 C ATOM 0 H LEU A 78 3.165 7.023 5.719 1.00 0.00 H new ATOM 0 HA LEU A 78 1.038 9.039 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.339 8.828 7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.072 8.613 7.491 1.00 0.00 H new ATOM 0 HG LEU A 78 3.372 10.953 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.489 12.543 6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.312 11.321 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.355 11.188 7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.652 11.989 9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.576 10.604 9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.339 10.368 9.277 1.00 0.00 H new ATOM 1218 N GLU A 79 2.551 10.510 3.992 1.00 0.00 N ATOM 1219 CA GLU A 79 3.405 11.330 3.142 1.00 0.00 C ATOM 1220 C GLU A 79 3.780 12.623 3.878 1.00 0.00 C ATOM 1221 O GLU A 79 2.923 13.256 4.493 1.00 0.00 O ATOM 1222 CB GLU A 79 2.683 11.634 1.818 1.00 0.00 C ATOM 1223 CG GLU A 79 2.774 13.086 1.389 1.00 0.00 C ATOM 1224 CD GLU A 79 2.171 13.344 0.027 1.00 0.00 C ATOM 1225 OE1 GLU A 79 0.927 13.392 -0.073 1.00 0.00 O ATOM 1226 OE2 GLU A 79 2.944 13.508 -0.938 1.00 0.00 O ATOM 0 H GLU A 79 1.558 10.735 3.932 1.00 0.00 H new ATOM 0 HA GLU A 79 4.323 10.789 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.104 11.006 1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.633 11.359 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.268 13.708 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.821 13.390 1.379 1.00 0.00 H new ATOM 1233 N LYS A 80 5.059 13.006 3.824 1.00 0.00 N ATOM 1234 CA LYS A 80 5.517 14.223 4.499 1.00 0.00 C ATOM 1235 C LYS A 80 6.256 15.157 3.548 1.00 0.00 C ATOM 1236 O LYS A 80 7.167 14.738 2.826 1.00 0.00 O ATOM 1237 CB LYS A 80 6.427 13.887 5.684 1.00 0.00 C ATOM 1238 CG LYS A 80 6.024 14.573 6.977 1.00 0.00 C ATOM 1239 CD LYS A 80 4.847 13.876 7.640 1.00 0.00 C ATOM 1240 CE LYS A 80 5.082 13.677 9.128 1.00 0.00 C ATOM 1241 NZ LYS A 80 4.676 14.870 9.923 1.00 0.00 N ATOM 0 H LYS A 80 5.789 12.497 3.325 1.00 0.00 H new ATOM 0 HA LYS A 80 4.624 14.732 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.423 12.808 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.450 14.170 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.872 14.586 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.764 15.611 6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.942 14.465 7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.681 12.909 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.522 12.806 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.137 13.467 9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.853 14.691 10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.228 15.696 9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.663 15.056 9.777 1.00 0.00 H new ATOM 1255 N ALA A 81 5.874 16.431 3.580 1.00 0.00 N ATOM 1256 CA ALA A 81 6.509 17.449 2.749 1.00 0.00 C ATOM 1257 C ALA A 81 7.701 18.065 3.480 1.00 0.00 C ATOM 1258 O ALA A 81 8.721 18.375 2.864 1.00 0.00 O ATOM 1259 CB ALA A 81 5.505 18.525 2.365 1.00 0.00 C ATOM 0 H ALA A 81 5.125 16.784 4.175 1.00 0.00 H new ATOM 0 HA ALA A 81 6.871 16.975 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.995 19.276 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.684 18.074 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.115 18.997 3.267 1.00 0.00 H new ATOM 1265 N SER A 82 7.566 18.226 4.802 1.00 0.00 N ATOM 1266 CA SER A 82 8.632 18.795 5.629 1.00 0.00 C ATOM 1267 C SER A 82 9.922 17.985 5.500 1.00 0.00 C ATOM 1268 O SER A 82 11.009 18.555 5.398 1.00 0.00 O ATOM 1269 CB SER A 82 8.198 18.855 7.096 1.00 0.00 C ATOM 1270 OG SER A 82 7.573 20.091 7.394 1.00 0.00 O ATOM 0 H SER A 82 6.726 17.969 5.321 1.00 0.00 H new ATOM 0 HA SER A 82 8.825 19.807 5.273 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.511 18.036 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.066 18.718 7.741 1.00 0.00 H new ATOM 0 HG SER A 82 7.304 20.103 8.336 1.00 0.00 H new ATOM 1276 N ASP A 83 9.796 16.654 5.489 1.00 0.00 N ATOM 1277 CA ASP A 83 10.957 15.778 5.355 1.00 0.00 C ATOM 1278 C ASP A 83 11.293 15.531 3.880 1.00 0.00 C ATOM 1279 O ASP A 83 12.354 14.992 3.565 1.00 0.00 O ATOM 1280 CB ASP A 83 10.704 14.444 6.062 1.00 0.00 C ATOM 1281 CG ASP A 83 11.875 14.006 6.919 1.00 0.00 C ATOM 1282 OD1 ASP A 83 12.191 14.712 7.900 1.00 0.00 O ATOM 1283 OD2 ASP A 83 12.476 12.957 6.610 1.00 0.00 O ATOM 0 H ASP A 83 8.905 16.165 5.571 1.00 0.00 H new ATOM 0 HA ASP A 83 11.807 16.274 5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.815 14.531 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.497 13.676 5.317 1.00 0.00 H new ATOM 1288 N ASN A 84 10.381 15.931 2.981 1.00 0.00 N ATOM 1289 CA ASN A 84 10.574 15.757 1.543 1.00 0.00 C ATOM 1290 C ASN A 84 10.721 14.276 1.186 1.00 0.00 C ATOM 1291 O ASN A 84 11.609 13.896 0.420 1.00 0.00 O ATOM 1292 CB ASN A 84 11.799 16.552 1.067 1.00 0.00 C ATOM 1293 CG ASN A 84 11.782 17.994 1.544 1.00 0.00 C ATOM 1294 OD1 ASN A 84 12.512 18.363 2.464 1.00 0.00 O ATOM 1295 ND2 ASN A 84 10.946 18.820 0.924 1.00 0.00 N ATOM 0 H ASN A 84 9.500 16.379 3.232 1.00 0.00 H new ATOM 0 HA ASN A 84 9.691 16.141 1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.705 16.065 1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.838 16.534 -0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.893 19.799 1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.357 18.475 0.166 1.00 0.00 H new ATOM 1302 N SER A 85 9.844 13.440 1.751 1.00 0.00 N ATOM 1303 CA SER A 85 9.882 12.004 1.494 1.00 0.00 C ATOM 1304 C SER A 85 8.594 11.321 1.965 1.00 0.00 C ATOM 1305 O SER A 85 7.613 11.984 2.308 1.00 0.00 O ATOM 1306 CB SER A 85 11.101 11.381 2.188 1.00 0.00 C ATOM 1307 OG SER A 85 10.887 11.235 3.582 1.00 0.00 O ATOM 0 H SER A 85 9.103 13.735 2.387 1.00 0.00 H new ATOM 0 HA SER A 85 9.965 11.852 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.313 10.407 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.977 12.006 2.017 1.00 0.00 H new ATOM 0 HG SER A 85 11.680 10.834 3.995 1.00 0.00 H new ATOM 1313 N LEU A 86 8.614 9.990 1.986 1.00 0.00 N ATOM 1314 CA LEU A 86 7.464 9.199 2.423 1.00 0.00 C ATOM 1315 C LEU A 86 7.717 8.609 3.808 1.00 0.00 C ATOM 1316 O LEU A 86 8.833 8.678 4.325 1.00 0.00 O ATOM 1317 CB LEU A 86 7.169 8.054 1.442 1.00 0.00 C ATOM 1318 CG LEU A 86 7.183 8.403 -0.050 1.00 0.00 C ATOM 1319 CD1 LEU A 86 6.324 9.632 -0.327 1.00 0.00 C ATOM 1320 CD2 LEU A 86 8.606 8.616 -0.542 1.00 0.00 C ATOM 0 H LEU A 86 9.420 9.433 1.703 1.00 0.00 H new ATOM 0 HA LEU A 86 6.604 9.868 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.899 7.263 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.190 7.642 1.685 1.00 0.00 H new ATOM 0 HG LEU A 86 6.758 7.562 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.349 9.861 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.296 9.434 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.712 10.481 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.591 8.863 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.065 9.434 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.184 7.705 -0.389 1.00 0.00 H new ATOM 1332 N LYS A 87 6.676 8.024 4.404 1.00 0.00 N ATOM 1333 CA LYS A 87 6.795 7.415 5.724 1.00 0.00 C ATOM 1334 C LYS A 87 5.866 6.215 5.855 1.00 0.00 C ATOM 1335 O LYS A 87 4.745 6.227 5.346 1.00 0.00 O ATOM 1336 CB LYS A 87 6.480 8.434 6.814 1.00 0.00 C ATOM 1337 CG LYS A 87 7.555 8.537 7.883 1.00 0.00 C ATOM 1338 CD LYS A 87 6.972 8.387 9.278 1.00 0.00 C ATOM 1339 CE LYS A 87 6.466 6.974 9.522 1.00 0.00 C ATOM 1340 NZ LYS A 87 7.580 6.016 9.766 1.00 0.00 N ATOM 0 H LYS A 87 5.745 7.961 3.992 1.00 0.00 H new ATOM 0 HA LYS A 87 7.823 7.074 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.342 9.413 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.535 8.167 7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.308 7.767 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.060 9.499 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.731 8.636 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.154 9.095 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.793 6.973 10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.886 6.643 8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.190 5.093 10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.141 5.907 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.189 6.378 10.528 1.00 0.00 H new ATOM 1354 N LEU A 88 6.338 5.183 6.547 1.00 0.00 N ATOM 1355 CA LEU A 88 5.551 3.974 6.757 1.00 0.00 C ATOM 1356 C LEU A 88 4.943 3.972 8.157 1.00 0.00 C ATOM 1357 O LEU A 88 5.662 3.939 9.157 1.00 0.00 O ATOM 1358 CB LEU A 88 6.428 2.736 6.552 1.00 0.00 C ATOM 1359 CG LEU A 88 5.700 1.387 6.508 1.00 0.00 C ATOM 1360 CD1 LEU A 88 5.680 0.745 7.887 1.00 0.00 C ATOM 1361 CD2 LEU A 88 4.285 1.537 5.965 1.00 0.00 C ATOM 0 H LEU A 88 7.265 5.160 6.973 1.00 0.00 H new ATOM 0 HA LEU A 88 4.739 3.952 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.979 2.858 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.164 2.701 7.355 1.00 0.00 H new ATOM 0 HG LEU A 88 6.249 0.734 5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.159 -0.211 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.703 0.583 8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.164 1.402 8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.797 0.563 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.720 2.214 6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.324 1.942 4.954 1.00 0.00 H new ATOM 1373 N VAL A 89 3.615 4.014 8.221 1.00 0.00 N ATOM 1374 CA VAL A 89 2.907 4.023 9.499 1.00 0.00 C ATOM 1375 C VAL A 89 2.929 2.640 10.150 1.00 0.00 C ATOM 1376 O VAL A 89 3.309 2.505 11.314 1.00 0.00 O ATOM 1377 CB VAL A 89 1.438 4.487 9.347 1.00 0.00 C ATOM 1378 CG1 VAL A 89 0.858 4.872 10.699 1.00 0.00 C ATOM 1379 CG2 VAL A 89 1.321 5.648 8.362 1.00 0.00 C ATOM 0 H VAL A 89 3.007 4.042 7.403 1.00 0.00 H new ATOM 0 HA VAL A 89 3.431 4.735 10.136 1.00 0.00 H new ATOM 0 HB VAL A 89 0.863 3.652 8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.175 5.196 10.573 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.890 4.011 11.367 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.443 5.686 11.128 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.277 5.950 8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.915 6.489 8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.688 5.334 7.385 1.00 0.00 H new ATOM 1389 N ALA A 90 2.517 1.615 9.397 1.00 0.00 N ATOM 1390 CA ALA A 90 2.490 0.246 9.917 1.00 0.00 C ATOM 1391 C ALA A 90 2.357 -0.789 8.797 1.00 0.00 C ATOM 1392 O ALA A 90 1.862 -0.484 7.710 1.00 0.00 O ATOM 1393 CB ALA A 90 1.355 0.087 10.916 1.00 0.00 C ATOM 0 H ALA A 90 2.200 1.707 8.432 1.00 0.00 H new ATOM 0 HA ALA A 90 3.441 0.066 10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.345 -0.935 11.296 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.500 0.781 11.744 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.406 0.301 10.425 1.00 0.00 H new ATOM 1399 N PHE A 91 2.801 -2.017 9.080 1.00 0.00 N ATOM 1400 CA PHE A 91 2.732 -3.111 8.112 1.00 0.00 C ATOM 1401 C PHE A 91 1.901 -4.270 8.667 1.00 0.00 C ATOM 1402 O PHE A 91 2.174 -4.772 9.758 1.00 0.00 O ATOM 1403 CB PHE A 91 4.144 -3.582 7.737 1.00 0.00 C ATOM 1404 CG PHE A 91 4.182 -4.579 6.608 1.00 0.00 C ATOM 1405 CD1 PHE A 91 3.614 -5.836 6.749 1.00 0.00 C ATOM 1406 CD2 PHE A 91 4.790 -4.256 5.406 1.00 0.00 C ATOM 1407 CE1 PHE A 91 3.653 -6.747 5.714 1.00 0.00 C ATOM 1408 CE2 PHE A 91 4.831 -5.162 4.367 1.00 0.00 C ATOM 1409 CZ PHE A 91 4.261 -6.410 4.521 1.00 0.00 C ATOM 0 H PHE A 91 3.213 -2.277 9.976 1.00 0.00 H new ATOM 0 HA PHE A 91 2.242 -2.745 7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.743 -2.714 7.461 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.612 -4.026 8.615 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.136 -6.105 7.679 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.238 -3.281 5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.208 -7.723 5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.308 -4.896 3.435 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.291 -7.122 3.709 1.00 0.00 H new ATOM 1419 N VAL A 92 0.872 -4.673 7.914 1.00 0.00 N ATOM 1420 CA VAL A 92 -0.017 -5.756 8.340 1.00 0.00 C ATOM 1421 C VAL A 92 -0.255 -6.776 7.223 1.00 0.00 C ATOM 1422 O VAL A 92 -0.467 -6.405 6.071 1.00 0.00 O ATOM 1423 CB VAL A 92 -1.380 -5.198 8.801 1.00 0.00 C ATOM 1424 CG1 VAL A 92 -2.122 -6.219 9.651 1.00 0.00 C ATOM 1425 CG2 VAL A 92 -1.202 -3.895 9.566 1.00 0.00 C ATOM 0 H VAL A 92 0.636 -4.266 7.009 1.00 0.00 H new ATOM 0 HA VAL A 92 0.480 -6.257 9.171 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.977 -4.993 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.080 -5.804 9.965 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.292 -7.124 9.067 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.526 -6.462 10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.177 -3.522 9.880 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.580 -4.071 10.444 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.721 -3.158 8.923 1.00 0.00 H new ATOM 1435 N PRO A 93 -0.239 -8.083 7.557 1.00 0.00 N ATOM 1436 CA PRO A 93 -0.468 -9.154 6.581 1.00 0.00 C ATOM 1437 C PRO A 93 -1.955 -9.362 6.284 1.00 0.00 C ATOM 1438 O PRO A 93 -2.787 -9.331 7.192 1.00 0.00 O ATOM 1439 CB PRO A 93 0.122 -10.377 7.277 1.00 0.00 C ATOM 1440 CG PRO A 93 -0.078 -10.116 8.731 1.00 0.00 C ATOM 1441 CD PRO A 93 -0.007 -8.620 8.913 1.00 0.00 C ATOM 0 HA PRO A 93 -0.020 -8.937 5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.382 -11.292 6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.179 -10.498 7.038 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.041 -10.502 9.065 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.689 -10.615 9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.761 -8.267 9.616 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.962 -8.311 9.304 1.00 0.00 H new ATOM 1449 N LEU A 94 -2.282 -9.568 5.006 1.00 0.00 N ATOM 1450 CA LEU A 94 -3.670 -9.775 4.587 1.00 0.00 C ATOM 1451 C LEU A 94 -3.923 -11.229 4.165 1.00 0.00 C ATOM 1452 O LEU A 94 -4.634 -11.486 3.192 1.00 0.00 O ATOM 1453 CB LEU A 94 -4.023 -8.825 3.431 1.00 0.00 C ATOM 1454 CG LEU A 94 -5.244 -7.932 3.666 1.00 0.00 C ATOM 1455 CD1 LEU A 94 -6.524 -8.752 3.637 1.00 0.00 C ATOM 1456 CD2 LEU A 94 -5.114 -7.189 4.986 1.00 0.00 C ATOM 0 H LEU A 94 -1.605 -9.596 4.244 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.309 -9.558 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.161 -8.188 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.196 -9.420 2.534 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.292 -7.199 2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.379 -8.098 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.624 -9.236 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.488 -9.511 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.991 -6.559 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.039 -7.908 5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.219 -6.567 4.967 1.00 0.00 H new ATOM 1468 N PHE A 95 -3.342 -12.177 4.902 1.00 0.00 N ATOM 1469 CA PHE A 95 -3.513 -13.599 4.593 1.00 0.00 C ATOM 1470 C PHE A 95 -3.503 -14.457 5.860 1.00 0.00 C ATOM 1471 O PHE A 95 -2.838 -14.066 6.843 1.00 0.00 O ATOM 1472 CB PHE A 95 -2.415 -14.065 3.630 1.00 0.00 C ATOM 1473 CG PHE A 95 -1.035 -14.049 4.224 1.00 0.00 C ATOM 1474 CD1 PHE A 95 -0.378 -12.850 4.450 1.00 0.00 C ATOM 1475 CD2 PHE A 95 -0.396 -15.232 4.559 1.00 0.00 C ATOM 1476 CE1 PHE A 95 0.889 -12.833 4.997 1.00 0.00 C ATOM 1477 CE2 PHE A 95 0.871 -15.219 5.107 1.00 0.00 C ATOM 1478 CZ PHE A 95 1.515 -14.018 5.325 1.00 0.00 C ATOM 1479 OXT PHE A 95 -4.160 -15.519 5.856 1.00 0.00 O ATOM 0 H PHE A 95 -2.752 -11.989 5.713 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.486 -13.722 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.644 -15.077 3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.427 -13.427 2.746 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.863 -11.919 4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.895 -16.175 4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.391 -11.892 5.168 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.358 -16.148 5.365 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.507 -14.006 5.752 1.00 0.00 H new TER 1489 PHE A 95