USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 9 HIS HE2 : A 9 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 79 HIS HE2 : A 79 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.51 K(o=-0.51,f=-3.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -160:sc= 0 USER MOD Single : A 27 SER OG : rot 176:sc= -1.91 USER MOD Single : A 43 SER OG : rot -48:sc= 1 USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 0.0607 (180deg=0.0126) USER MOD Single : A 62 ASN : amide:sc= -0.519 K(o=-0.52,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 45:sc= 0.00849 USER MOD Single : A 71 MET CE :methyl -143:sc= -2.44 (180deg=-4.46!) USER MOD Single : A 74 ASN : amide:sc= -0.494 K(o=-0.49,f=-2.5) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -110:sc= 1.16 USER MOD Single : A 88 SER OG : rot 74:sc= 0.383 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -30.033 37.238 -13.174 1.00 0.00 N ATOM 2 CA GLY A -6 -29.756 35.834 -13.411 1.00 0.00 C ATOM 3 C GLY A -6 -28.294 35.489 -13.205 1.00 0.00 C ATOM 4 O GLY A -6 -27.458 35.756 -14.068 1.00 0.00 O ATOM 0 H1 GLY A -6 -31.045 37.423 -13.328 1.00 0.00 H new ATOM 0 H2 GLY A -6 -29.781 37.481 -12.195 1.00 0.00 H new ATOM 0 H3 GLY A -6 -29.472 37.818 -13.830 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -30.367 35.228 -12.742 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -30.047 35.576 -14.429 1.00 0.00 H new ATOM 8 N SER A -5 -27.984 34.895 -12.056 1.00 0.00 N ATOM 9 CA SER A -5 -26.613 34.519 -11.736 1.00 0.00 C ATOM 10 C SER A -5 -26.577 33.206 -10.959 1.00 0.00 C ATOM 11 O SER A -5 -27.613 32.697 -10.532 1.00 0.00 O ATOM 12 CB SER A -5 -25.934 35.624 -10.925 1.00 0.00 C ATOM 13 OG SER A -5 -25.949 36.855 -11.627 1.00 0.00 O ATOM 0 H SER A -5 -28.664 34.664 -11.332 1.00 0.00 H new ATOM 0 HA SER A -5 -26.072 34.382 -12.672 1.00 0.00 H new ATOM 0 HB2 SER A -5 -26.442 35.741 -9.968 1.00 0.00 H new ATOM 0 HB3 SER A -5 -24.905 35.339 -10.707 1.00 0.00 H new ATOM 0 HG SER A -5 -25.511 37.545 -11.087 1.00 0.00 H new ATOM 19 N SER A -4 -25.377 32.665 -10.779 1.00 0.00 N ATOM 20 CA SER A -4 -25.205 31.410 -10.057 1.00 0.00 C ATOM 21 C SER A -4 -23.974 31.466 -9.156 1.00 0.00 C ATOM 22 O SER A -4 -23.191 32.413 -9.214 1.00 0.00 O ATOM 23 CB SER A -4 -25.078 30.244 -11.039 1.00 0.00 C ATOM 24 OG SER A -4 -26.239 30.128 -11.845 1.00 0.00 O ATOM 0 H SER A -4 -24.509 33.076 -11.123 1.00 0.00 H new ATOM 0 HA SER A -4 -26.085 31.256 -9.433 1.00 0.00 H new ATOM 0 HB2 SER A -4 -24.204 30.392 -11.673 1.00 0.00 H new ATOM 0 HB3 SER A -4 -24.919 29.317 -10.489 1.00 0.00 H new ATOM 0 HG SER A -4 -26.133 29.377 -12.465 1.00 0.00 H new ATOM 30 N GLY A -3 -23.812 30.443 -8.322 1.00 0.00 N ATOM 31 CA GLY A -3 -22.676 30.394 -7.421 1.00 0.00 C ATOM 32 C GLY A -3 -22.248 28.975 -7.103 1.00 0.00 C ATOM 33 O GLY A -3 -23.074 28.138 -6.736 1.00 0.00 O ATOM 0 H GLY A -3 -24.447 29.648 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -21.839 30.931 -7.867 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -22.928 30.910 -6.495 1.00 0.00 H new ATOM 37 N SER A -2 -20.955 28.702 -7.244 1.00 0.00 N ATOM 38 CA SER A -2 -20.420 27.372 -6.975 1.00 0.00 C ATOM 39 C SER A -2 -19.147 27.458 -6.139 1.00 0.00 C ATOM 40 O SER A -2 -18.360 28.394 -6.282 1.00 0.00 O ATOM 41 CB SER A -2 -20.134 26.639 -8.287 1.00 0.00 C ATOM 42 OG SER A -2 -21.276 26.633 -9.127 1.00 0.00 O ATOM 0 H SER A -2 -20.258 29.384 -7.543 1.00 0.00 H new ATOM 0 HA SER A -2 -21.167 26.814 -6.411 1.00 0.00 H new ATOM 0 HB2 SER A -2 -19.302 27.120 -8.802 1.00 0.00 H new ATOM 0 HB3 SER A -2 -19.829 25.614 -8.076 1.00 0.00 H new ATOM 0 HG SER A -2 -21.067 26.160 -9.960 1.00 0.00 H new ATOM 48 N SER A -1 -18.952 26.475 -5.266 1.00 0.00 N ATOM 49 CA SER A -1 -17.777 26.440 -4.404 1.00 0.00 C ATOM 50 C SER A -1 -17.056 25.101 -4.522 1.00 0.00 C ATOM 51 O SER A -1 -17.643 24.101 -4.933 1.00 0.00 O ATOM 52 CB SER A -1 -18.178 26.689 -2.949 1.00 0.00 C ATOM 53 OG SER A -1 -17.092 27.210 -2.202 1.00 0.00 O ATOM 0 H SER A -1 -19.593 25.692 -5.137 1.00 0.00 H new ATOM 0 HA SER A -1 -17.097 27.229 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A -1 -19.015 27.386 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A -1 -18.520 25.757 -2.498 1.00 0.00 H new ATOM 0 HG SER A -1 -17.375 27.362 -1.276 1.00 0.00 H new ATOM 59 N GLY A 0 -15.777 25.090 -4.158 1.00 0.00 N ATOM 60 CA GLY A 0 -14.995 23.869 -4.231 1.00 0.00 C ATOM 61 C GLY A 0 -13.853 23.852 -3.235 1.00 0.00 C ATOM 62 O GLY A 0 -13.297 24.898 -2.900 1.00 0.00 O ATOM 0 H GLY A 0 -15.269 25.905 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -15.645 23.013 -4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -14.596 23.757 -5.239 1.00 0.00 H new ATOM 66 N MET A 1 -13.502 22.662 -2.759 1.00 0.00 N ATOM 67 CA MET A 1 -12.418 22.514 -1.795 1.00 0.00 C ATOM 68 C MET A 1 -12.072 21.043 -1.588 1.00 0.00 C ATOM 69 O MET A 1 -12.879 20.160 -1.875 1.00 0.00 O ATOM 70 CB MET A 1 -12.805 23.152 -0.459 1.00 0.00 C ATOM 71 CG MET A 1 -13.863 22.371 0.303 1.00 0.00 C ATOM 72 SD MET A 1 -14.119 22.998 1.974 1.00 0.00 S ATOM 73 CE MET A 1 -15.856 23.431 1.911 1.00 0.00 C ATOM 0 H MET A 1 -13.952 21.786 -3.025 1.00 0.00 H new ATOM 0 HA MET A 1 -11.540 23.023 -2.192 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.914 23.243 0.163 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.171 24.162 -0.641 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.804 22.412 -0.245 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.569 21.323 0.353 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.165 23.835 2.875 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.016 24.180 1.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.445 22.542 1.684 1.00 0.00 H new ATOM 83 N GLU A 2 -10.867 20.788 -1.088 1.00 0.00 N ATOM 84 CA GLU A 2 -10.415 19.423 -0.844 1.00 0.00 C ATOM 85 C GLU A 2 -10.772 18.976 0.570 1.00 0.00 C ATOM 86 O GLU A 2 -9.949 19.054 1.482 1.00 0.00 O ATOM 87 CB GLU A 2 -8.903 19.317 -1.059 1.00 0.00 C ATOM 88 CG GLU A 2 -8.494 19.325 -2.522 1.00 0.00 C ATOM 89 CD GLU A 2 -9.116 18.188 -3.308 1.00 0.00 C ATOM 90 OE1 GLU A 2 -10.241 18.365 -3.820 1.00 0.00 O ATOM 91 OE2 GLU A 2 -8.477 17.120 -3.412 1.00 0.00 O ATOM 0 H GLU A 2 -10.187 21.508 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.922 18.767 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.413 20.146 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.542 18.399 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.785 20.274 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.408 19.259 -2.592 1.00 0.00 H new ATOM 98 N GLU A 3 -12.004 18.508 0.744 1.00 0.00 N ATOM 99 CA GLU A 3 -12.470 18.050 2.047 1.00 0.00 C ATOM 100 C GLU A 3 -13.489 16.925 1.896 1.00 0.00 C ATOM 101 O GLU A 3 -14.622 17.153 1.473 1.00 0.00 O ATOM 102 CB GLU A 3 -13.088 19.211 2.829 1.00 0.00 C ATOM 103 CG GLU A 3 -12.071 20.239 3.297 1.00 0.00 C ATOM 104 CD GLU A 3 -11.171 19.711 4.398 1.00 0.00 C ATOM 105 OE1 GLU A 3 -10.242 18.938 4.085 1.00 0.00 O ATOM 106 OE2 GLU A 3 -11.397 20.072 5.572 1.00 0.00 O ATOM 0 H GLU A 3 -12.697 18.436 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.611 17.667 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.830 19.706 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.616 18.814 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.459 20.550 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.595 21.126 3.655 1.00 0.00 H new ATOM 113 N GLU A 4 -13.077 15.710 2.244 1.00 0.00 N ATOM 114 CA GLU A 4 -13.954 14.549 2.146 1.00 0.00 C ATOM 115 C GLU A 4 -14.190 13.928 3.520 1.00 0.00 C ATOM 116 O GLU A 4 -13.252 13.721 4.290 1.00 0.00 O ATOM 117 CB GLU A 4 -13.354 13.508 1.199 1.00 0.00 C ATOM 118 CG GLU A 4 -14.293 12.355 0.888 1.00 0.00 C ATOM 119 CD GLU A 4 -13.638 11.280 0.042 1.00 0.00 C ATOM 120 OE1 GLU A 4 -13.629 11.423 -1.198 1.00 0.00 O ATOM 121 OE2 GLU A 4 -13.133 10.296 0.622 1.00 0.00 O ATOM 0 H GLU A 4 -12.142 15.504 2.596 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.913 14.882 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.072 13.997 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.440 13.112 1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.643 11.914 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.171 12.737 0.367 1.00 0.00 H new ATOM 128 N LEU A 5 -15.450 13.633 3.820 1.00 0.00 N ATOM 129 CA LEU A 5 -15.812 13.035 5.101 1.00 0.00 C ATOM 130 C LEU A 5 -15.310 11.598 5.192 1.00 0.00 C ATOM 131 O LEU A 5 -14.655 11.100 4.276 1.00 0.00 O ATOM 132 CB LEU A 5 -17.329 13.071 5.292 1.00 0.00 C ATOM 133 CG LEU A 5 -18.161 12.414 4.190 1.00 0.00 C ATOM 134 CD1 LEU A 5 -18.280 10.918 4.432 1.00 0.00 C ATOM 135 CD2 LEU A 5 -19.539 13.055 4.108 1.00 0.00 C ATOM 0 H LEU A 5 -16.238 13.798 3.194 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.339 13.616 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.567 12.585 6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.639 14.112 5.382 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.654 12.568 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.875 10.467 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.286 10.470 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.764 10.742 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -20.117 12.575 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -20.054 12.933 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -19.434 14.117 3.886 1.00 0.00 H new ATOM 147 N GLN A 6 -15.624 10.936 6.301 1.00 0.00 N ATOM 148 CA GLN A 6 -15.206 9.555 6.511 1.00 0.00 C ATOM 149 C GLN A 6 -16.415 8.636 6.654 1.00 0.00 C ATOM 150 O GLN A 6 -17.558 9.095 6.674 1.00 0.00 O ATOM 151 CB GLN A 6 -14.321 9.451 7.754 1.00 0.00 C ATOM 152 CG GLN A 6 -13.011 10.212 7.633 1.00 0.00 C ATOM 153 CD GLN A 6 -11.886 9.566 8.419 1.00 0.00 C ATOM 154 OE1 GLN A 6 -12.020 9.305 9.615 1.00 0.00 O ATOM 155 NE2 GLN A 6 -10.770 9.305 7.749 1.00 0.00 N ATOM 0 H GLN A 6 -16.166 11.334 7.068 1.00 0.00 H new ATOM 0 HA GLN A 6 -14.633 9.239 5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.873 9.828 8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.105 8.401 7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.727 10.273 6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.155 11.234 7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.703 9.539 6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.979 8.871 8.225 1.00 0.00 H new ATOM 164 N HIS A 7 -16.156 7.336 6.753 1.00 0.00 N ATOM 165 CA HIS A 7 -17.223 6.352 6.894 1.00 0.00 C ATOM 166 C HIS A 7 -17.292 5.828 8.325 1.00 0.00 C ATOM 167 O HIS A 7 -16.363 5.175 8.802 1.00 0.00 O ATOM 168 CB HIS A 7 -17.008 5.192 5.923 1.00 0.00 C ATOM 169 CG HIS A 7 -16.973 5.612 4.486 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.643 4.754 3.458 1.00 0.00 N ATOM 171 CD2 HIS A 7 -17.231 6.808 3.907 1.00 0.00 C ATOM 172 CE1 HIS A 7 -16.698 5.404 2.309 1.00 0.00 C ATOM 173 NE2 HIS A 7 -17.054 6.652 2.554 1.00 0.00 N ATOM 0 H HIS A 7 -15.216 6.940 6.738 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.168 6.841 6.659 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.072 4.692 6.170 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.805 4.462 6.060 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -17.522 7.716 4.414 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.488 4.986 1.336 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.177 7.382 1.852 1.00 0.00 H new ATOM 181 N SER A 8 -18.396 6.118 9.005 1.00 0.00 N ATOM 182 CA SER A 8 -18.584 5.679 10.383 1.00 0.00 C ATOM 183 C SER A 8 -18.429 4.166 10.497 1.00 0.00 C ATOM 184 O SER A 8 -17.600 3.671 11.262 1.00 0.00 O ATOM 185 CB SER A 8 -19.964 6.102 10.891 1.00 0.00 C ATOM 186 OG SER A 8 -19.916 7.386 11.489 1.00 0.00 O ATOM 0 H SER A 8 -19.175 6.656 8.624 1.00 0.00 H new ATOM 0 HA SER A 8 -17.818 6.152 10.997 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.673 6.109 10.063 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.327 5.373 11.616 1.00 0.00 H new ATOM 0 HG SER A 8 -20.810 7.634 11.804 1.00 0.00 H new ATOM 192 N HIS A 9 -19.233 3.435 9.730 1.00 0.00 N ATOM 193 CA HIS A 9 -19.185 1.978 9.744 1.00 0.00 C ATOM 194 C HIS A 9 -17.749 1.479 9.615 1.00 0.00 C ATOM 195 O HIS A 9 -17.224 0.826 10.517 1.00 0.00 O ATOM 196 CB HIS A 9 -20.039 1.408 8.610 1.00 0.00 C ATOM 197 CG HIS A 9 -19.764 -0.036 8.321 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.469 -1.067 8.904 1.00 0.00 N ATOM 199 CD2 HIS A 9 -18.856 -0.618 7.503 1.00 0.00 C ATOM 200 CE1 HIS A 9 -20.006 -2.221 8.459 1.00 0.00 C ATOM 201 NE2 HIS A 9 -19.027 -1.976 7.607 1.00 0.00 N ATOM 0 H HIS A 9 -19.925 3.828 9.092 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.585 1.636 10.698 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.092 1.525 8.865 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.864 1.991 7.706 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -21.230 -0.956 9.574 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.132 -0.109 6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.367 -3.199 8.743 1.00 0.00 H new ATOM 209 N CYS A 10 -17.119 1.792 8.488 1.00 0.00 N ATOM 210 CA CYS A 10 -15.744 1.375 8.239 1.00 0.00 C ATOM 211 C CYS A 10 -14.805 1.934 9.305 1.00 0.00 C ATOM 212 O CYS A 10 -13.827 1.290 9.685 1.00 0.00 O ATOM 213 CB CYS A 10 -15.291 1.838 6.853 1.00 0.00 C ATOM 214 SG CYS A 10 -16.588 1.743 5.577 1.00 0.00 S ATOM 0 H CYS A 10 -17.539 2.333 7.732 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.708 0.286 8.281 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.939 2.867 6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.442 1.231 6.539 1.00 0.00 H new ATOM 219 N VAL A 11 -15.111 3.135 9.784 1.00 0.00 N ATOM 220 CA VAL A 11 -14.296 3.780 10.807 1.00 0.00 C ATOM 221 C VAL A 11 -14.230 2.932 12.072 1.00 0.00 C ATOM 222 O VAL A 11 -13.259 2.998 12.825 1.00 0.00 O ATOM 223 CB VAL A 11 -14.845 5.174 11.165 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.667 5.453 12.650 1.00 0.00 C ATOM 225 CG2 VAL A 11 -14.164 6.246 10.327 1.00 0.00 C ATOM 0 H VAL A 11 -15.917 3.681 9.480 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.294 3.888 10.392 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.912 5.194 10.942 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.061 6.442 12.884 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.205 4.702 13.228 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.607 5.415 12.903 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -14.564 7.224 10.593 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.091 6.229 10.517 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.349 6.054 9.270 1.00 0.00 H new ATOM 235 N ASN A 12 -15.269 2.135 12.299 1.00 0.00 N ATOM 236 CA ASN A 12 -15.329 1.273 13.474 1.00 0.00 C ATOM 237 C ASN A 12 -15.688 -0.157 13.081 1.00 0.00 C ATOM 238 O ASN A 12 -16.395 -0.854 13.810 1.00 0.00 O ATOM 239 CB ASN A 12 -16.353 1.811 14.475 1.00 0.00 C ATOM 240 CG ASN A 12 -17.643 2.244 13.806 1.00 0.00 C ATOM 241 OD1 ASN A 12 -18.185 1.535 12.959 1.00 0.00 O ATOM 242 ND2 ASN A 12 -18.141 3.415 14.186 1.00 0.00 N ATOM 0 H ASN A 12 -16.081 2.068 11.685 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.344 1.267 13.940 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -16.572 1.042 15.216 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.923 2.657 15.011 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -19.007 3.760 13.772 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -17.657 3.970 14.892 1.00 0.00 H new ATOM 249 N CYS A 13 -15.195 -0.589 11.925 1.00 0.00 N ATOM 250 CA CYS A 13 -15.463 -1.935 11.434 1.00 0.00 C ATOM 251 C CYS A 13 -14.190 -2.777 11.434 1.00 0.00 C ATOM 252 O CYS A 13 -13.439 -2.787 10.458 1.00 0.00 O ATOM 253 CB CYS A 13 -16.050 -1.879 10.022 1.00 0.00 C ATOM 254 SG CYS A 13 -16.339 -3.513 9.271 1.00 0.00 S ATOM 0 H CYS A 13 -14.607 -0.026 11.311 1.00 0.00 H new ATOM 0 HA CYS A 13 -16.187 -2.401 12.103 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.993 -1.334 10.054 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.375 -1.311 9.382 1.00 0.00 H new ATOM 259 N VAL A 14 -13.954 -3.483 12.535 1.00 0.00 N ATOM 260 CA VAL A 14 -12.773 -4.329 12.663 1.00 0.00 C ATOM 261 C VAL A 14 -13.041 -5.730 12.124 1.00 0.00 C ATOM 262 O VAL A 14 -12.455 -6.707 12.590 1.00 0.00 O ATOM 263 CB VAL A 14 -12.313 -4.434 14.129 1.00 0.00 C ATOM 264 CG1 VAL A 14 -12.021 -3.053 14.697 1.00 0.00 C ATOM 265 CG2 VAL A 14 -13.361 -5.152 14.965 1.00 0.00 C ATOM 0 H VAL A 14 -14.565 -3.486 13.352 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.983 -3.861 12.076 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.392 -5.017 14.162 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.697 -3.147 15.734 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.233 -2.578 14.112 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.923 -2.443 14.652 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.020 -5.218 15.998 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.299 -4.598 14.927 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.516 -6.156 14.570 1.00 0.00 H new ATOM 275 N SER A 15 -13.929 -5.820 11.139 1.00 0.00 N ATOM 276 CA SER A 15 -14.277 -7.102 10.539 1.00 0.00 C ATOM 277 C SER A 15 -13.621 -7.257 9.170 1.00 0.00 C ATOM 278 O SER A 15 -13.727 -6.376 8.316 1.00 0.00 O ATOM 279 CB SER A 15 -15.796 -7.232 10.407 1.00 0.00 C ATOM 280 OG SER A 15 -16.146 -8.373 9.643 1.00 0.00 O ATOM 0 H SER A 15 -14.420 -5.020 10.740 1.00 0.00 H new ATOM 0 HA SER A 15 -13.907 -7.893 11.192 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.246 -7.302 11.398 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.201 -6.337 9.936 1.00 0.00 H new ATOM 0 HG SER A 15 -17.122 -8.434 9.575 1.00 0.00 H new ATOM 286 N ARG A 16 -12.943 -8.382 8.969 1.00 0.00 N ATOM 287 CA ARG A 16 -12.269 -8.653 7.705 1.00 0.00 C ATOM 288 C ARG A 16 -13.272 -9.060 6.630 1.00 0.00 C ATOM 289 O ARG A 16 -13.427 -8.375 5.619 1.00 0.00 O ATOM 290 CB ARG A 16 -11.223 -9.754 7.886 1.00 0.00 C ATOM 291 CG ARG A 16 -10.633 -10.255 6.578 1.00 0.00 C ATOM 292 CD ARG A 16 -9.599 -11.344 6.814 1.00 0.00 C ATOM 293 NE ARG A 16 -8.799 -11.608 5.621 1.00 0.00 N ATOM 294 CZ ARG A 16 -9.211 -12.371 4.615 1.00 0.00 C ATOM 295 NH1 ARG A 16 -10.406 -12.942 4.657 1.00 0.00 N ATOM 296 NH2 ARG A 16 -8.426 -12.563 3.562 1.00 0.00 N ATOM 0 H ARG A 16 -12.846 -9.121 9.666 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.771 -7.738 7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.418 -9.378 8.517 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.678 -10.592 8.414 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.430 -10.640 5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.172 -9.424 6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.942 -11.049 7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.102 -12.260 7.123 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.874 -11.183 5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.013 -12.796 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.719 -13.527 3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.506 -12.124 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.743 -13.149 2.790 1.00 0.00 H new ATOM 310 N ARG A 17 -13.950 -10.181 6.855 1.00 0.00 N ATOM 311 CA ARG A 17 -14.937 -10.681 5.905 1.00 0.00 C ATOM 312 C ARG A 17 -16.270 -9.958 6.075 1.00 0.00 C ATOM 313 O ARG A 17 -17.335 -10.573 6.006 1.00 0.00 O ATOM 314 CB ARG A 17 -15.134 -12.187 6.088 1.00 0.00 C ATOM 315 CG ARG A 17 -13.876 -13.001 5.834 1.00 0.00 C ATOM 316 CD ARG A 17 -13.675 -13.268 4.351 1.00 0.00 C ATOM 317 NE ARG A 17 -14.632 -14.242 3.835 1.00 0.00 N ATOM 318 CZ ARG A 17 -14.427 -14.966 2.740 1.00 0.00 C ATOM 319 NH1 ARG A 17 -13.304 -14.825 2.049 1.00 0.00 N ATOM 320 NH2 ARG A 17 -15.346 -15.832 2.334 1.00 0.00 N ATOM 0 H ARG A 17 -13.834 -10.760 7.687 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.566 -10.490 4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.482 -12.379 7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.919 -12.527 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.011 -12.469 6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.940 -13.948 6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.775 -12.334 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.661 -13.632 4.182 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.506 -14.374 4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.595 -14.160 2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.149 -15.382 1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.211 -15.943 2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.187 -16.387 1.493 1.00 0.00 H new ATOM 334 N CYS A 18 -16.204 -8.650 6.299 1.00 0.00 N ATOM 335 CA CYS A 18 -17.404 -7.843 6.480 1.00 0.00 C ATOM 336 C CYS A 18 -18.264 -7.856 5.219 1.00 0.00 C ATOM 337 O CYS A 18 -17.766 -7.644 4.114 1.00 0.00 O ATOM 338 CB CYS A 18 -17.027 -6.404 6.838 1.00 0.00 C ATOM 339 SG CYS A 18 -18.293 -5.171 6.393 1.00 0.00 S ATOM 0 H CYS A 18 -15.331 -8.126 6.360 1.00 0.00 H new ATOM 0 HA CYS A 18 -17.982 -8.275 7.297 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.839 -6.345 7.910 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -16.094 -6.148 6.336 1.00 0.00 H new ATOM 344 N MET A 19 -19.557 -8.107 5.394 1.00 0.00 N ATOM 345 CA MET A 19 -20.487 -8.146 4.271 1.00 0.00 C ATOM 346 C MET A 19 -21.671 -7.215 4.512 1.00 0.00 C ATOM 347 O MET A 19 -22.811 -7.547 4.186 1.00 0.00 O ATOM 348 CB MET A 19 -20.984 -9.575 4.043 1.00 0.00 C ATOM 349 CG MET A 19 -20.040 -10.421 3.205 1.00 0.00 C ATOM 350 SD MET A 19 -20.820 -11.923 2.583 1.00 0.00 S ATOM 351 CE MET A 19 -19.602 -13.153 3.044 1.00 0.00 C ATOM 0 H MET A 19 -19.985 -8.286 6.302 1.00 0.00 H new ATOM 0 HA MET A 19 -19.957 -7.807 3.381 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.131 -10.058 5.009 1.00 0.00 H new ATOM 0 HB3 MET A 19 -21.957 -9.539 3.554 1.00 0.00 H new ATOM 0 HG2 MET A 19 -19.678 -9.829 2.364 1.00 0.00 H new ATOM 0 HG3 MET A 19 -19.170 -10.689 3.804 1.00 0.00 H new ATOM 0 HE1 MET A 19 -19.942 -14.139 2.726 1.00 0.00 H new ATOM 0 HE2 MET A 19 -18.652 -12.923 2.561 1.00 0.00 H new ATOM 0 HE3 MET A 19 -19.470 -13.147 4.126 1.00 0.00 H new ATOM 361 N THR A 20 -21.393 -6.048 5.085 1.00 0.00 N ATOM 362 CA THR A 20 -22.435 -5.070 5.371 1.00 0.00 C ATOM 363 C THR A 20 -22.737 -4.214 4.146 1.00 0.00 C ATOM 364 O THR A 20 -21.829 -3.821 3.413 1.00 0.00 O ATOM 365 CB THR A 20 -22.037 -4.151 6.541 1.00 0.00 C ATOM 366 OG1 THR A 20 -21.966 -4.906 7.755 1.00 0.00 O ATOM 367 CG2 THR A 20 -23.037 -3.015 6.701 1.00 0.00 C ATOM 0 H THR A 20 -20.455 -5.757 5.360 1.00 0.00 H new ATOM 0 HA THR A 20 -23.328 -5.631 5.647 1.00 0.00 H new ATOM 0 HB THR A 20 -21.058 -3.724 6.322 1.00 0.00 H new ATOM 0 HG1 THR A 20 -22.030 -4.299 8.522 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.735 -2.379 7.533 1.00 0.00 H new ATOM 0 HG22 THR A 20 -23.066 -2.424 5.785 1.00 0.00 H new ATOM 0 HG23 THR A 20 -24.027 -3.427 6.899 1.00 0.00 H new ATOM 375 N ARG A 21 -24.017 -3.928 3.931 1.00 0.00 N ATOM 376 CA ARG A 21 -24.437 -3.118 2.794 1.00 0.00 C ATOM 377 C ARG A 21 -23.701 -1.782 2.776 1.00 0.00 C ATOM 378 O ARG A 21 -23.800 -0.979 3.704 1.00 0.00 O ATOM 379 CB ARG A 21 -25.948 -2.881 2.841 1.00 0.00 C ATOM 380 CG ARG A 21 -26.538 -2.447 1.509 1.00 0.00 C ATOM 381 CD ARG A 21 -28.036 -2.703 1.453 1.00 0.00 C ATOM 382 NE ARG A 21 -28.774 -1.830 2.362 1.00 0.00 N ATOM 383 CZ ARG A 21 -30.071 -1.570 2.240 1.00 0.00 C ATOM 384 NH1 ARG A 21 -30.769 -2.115 1.253 1.00 0.00 N ATOM 385 NH2 ARG A 21 -30.672 -0.765 3.106 1.00 0.00 N ATOM 0 H ARG A 21 -24.780 -4.245 4.529 1.00 0.00 H new ATOM 0 HA ARG A 21 -24.189 -3.661 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.441 -3.797 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -26.165 -2.120 3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -26.343 -1.386 1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -26.045 -2.985 0.699 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -28.392 -2.550 0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -28.236 -3.744 1.708 1.00 0.00 H new ATOM 0 HE ARG A 21 -28.266 -1.396 3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -30.310 -2.735 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -31.765 -1.914 1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -30.138 -0.345 3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -31.668 -0.566 3.011 1.00 0.00 H new ATOM 399 N PRO A 22 -22.945 -1.536 1.696 1.00 0.00 N ATOM 400 CA PRO A 22 -22.178 -0.298 1.532 1.00 0.00 C ATOM 401 C PRO A 22 -23.075 0.913 1.300 1.00 0.00 C ATOM 402 O PRO A 22 -23.625 1.090 0.214 1.00 0.00 O ATOM 403 CB PRO A 22 -21.321 -0.573 0.294 1.00 0.00 C ATOM 404 CG PRO A 22 -22.082 -1.599 -0.473 1.00 0.00 C ATOM 405 CD PRO A 22 -22.781 -2.448 0.552 1.00 0.00 C ATOM 0 HA PRO A 22 -21.599 -0.056 2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.174 0.333 -0.295 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.332 -0.938 0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.800 -1.130 -1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.414 -2.201 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.742 -2.810 0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -22.190 -3.324 0.818 1.00 0.00 H new ATOM 413 N GLU A 23 -23.217 1.744 2.328 1.00 0.00 N ATOM 414 CA GLU A 23 -24.048 2.939 2.235 1.00 0.00 C ATOM 415 C GLU A 23 -23.298 4.070 1.537 1.00 0.00 C ATOM 416 O GLU A 23 -22.079 4.030 1.370 1.00 0.00 O ATOM 417 CB GLU A 23 -24.491 3.389 3.629 1.00 0.00 C ATOM 418 CG GLU A 23 -25.851 2.850 4.038 1.00 0.00 C ATOM 419 CD GLU A 23 -26.872 2.932 2.920 1.00 0.00 C ATOM 420 OE1 GLU A 23 -26.937 1.987 2.106 1.00 0.00 O ATOM 421 OE2 GLU A 23 -27.606 3.941 2.859 1.00 0.00 O ATOM 0 H GLU A 23 -22.768 1.612 3.234 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.930 2.692 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -23.748 3.068 4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.517 4.478 3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -25.746 1.812 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.215 3.410 4.899 1.00 0.00 H new ATOM 428 N PRO A 24 -24.044 5.104 1.120 1.00 0.00 N ATOM 429 CA PRO A 24 -23.471 6.266 0.433 1.00 0.00 C ATOM 430 C PRO A 24 -22.622 7.127 1.362 1.00 0.00 C ATOM 431 O PRO A 24 -22.220 8.233 1.004 1.00 0.00 O ATOM 432 CB PRO A 24 -24.704 7.042 -0.037 1.00 0.00 C ATOM 433 CG PRO A 24 -25.785 6.646 0.908 1.00 0.00 C ATOM 434 CD PRO A 24 -25.502 5.218 1.285 1.00 0.00 C ATOM 0 HA PRO A 24 -22.801 5.973 -0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -24.529 8.117 -0.010 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -24.964 6.787 -1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.789 7.289 1.788 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -26.765 6.739 0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.808 5.005 2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -26.035 4.519 0.641 1.00 0.00 H new ATOM 442 N GLY A 25 -22.351 6.611 2.557 1.00 0.00 N ATOM 443 CA GLY A 25 -21.550 7.347 3.518 1.00 0.00 C ATOM 444 C GLY A 25 -21.160 6.502 4.715 1.00 0.00 C ATOM 445 O GLY A 25 -19.976 6.359 5.022 1.00 0.00 O ATOM 0 H GLY A 25 -22.672 5.697 2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.649 7.716 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.108 8.219 3.859 1.00 0.00 H new ATOM 449 N ILE A 26 -22.157 5.943 5.393 1.00 0.00 N ATOM 450 CA ILE A 26 -21.911 5.109 6.563 1.00 0.00 C ATOM 451 C ILE A 26 -20.835 4.067 6.279 1.00 0.00 C ATOM 452 O ILE A 26 -19.778 4.063 6.910 1.00 0.00 O ATOM 453 CB ILE A 26 -23.195 4.393 7.023 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.170 5.395 7.642 1.00 0.00 C ATOM 455 CG2 ILE A 26 -22.859 3.290 8.015 1.00 0.00 C ATOM 456 CD1 ILE A 26 -24.870 6.266 6.622 1.00 0.00 C ATOM 0 H ILE A 26 -23.142 6.053 5.152 1.00 0.00 H new ATOM 0 HA ILE A 26 -21.570 5.772 7.358 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.673 3.940 6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -24.919 4.852 8.219 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -23.629 6.032 8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -23.776 2.793 8.331 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.198 2.564 7.542 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.362 3.721 8.884 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -25.546 6.952 7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.130 6.836 6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.440 5.638 5.937 1.00 0.00 H new ATOM 468 N SER A 27 -21.110 3.185 5.323 1.00 0.00 N ATOM 469 CA SER A 27 -20.165 2.136 4.956 1.00 0.00 C ATOM 470 C SER A 27 -19.847 2.189 3.465 1.00 0.00 C ATOM 471 O SER A 27 -20.449 2.959 2.717 1.00 0.00 O ATOM 472 CB SER A 27 -20.731 0.762 5.320 1.00 0.00 C ATOM 473 OG SER A 27 -19.812 -0.269 4.999 1.00 0.00 O ATOM 0 H SER A 27 -21.979 3.176 4.789 1.00 0.00 H new ATOM 0 HA SER A 27 -19.242 2.300 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 27 -20.961 0.730 6.385 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.667 0.598 4.787 1.00 0.00 H new ATOM 0 HG SER A 27 -20.169 -1.131 5.301 1.00 0.00 H new ATOM 479 N CYS A 28 -18.894 1.366 3.041 1.00 0.00 N ATOM 480 CA CYS A 28 -18.493 1.317 1.640 1.00 0.00 C ATOM 481 C CYS A 28 -18.071 -0.095 1.243 1.00 0.00 C ATOM 482 O CYS A 28 -17.894 -0.964 2.097 1.00 0.00 O ATOM 483 CB CYS A 28 -17.346 2.296 1.382 1.00 0.00 C ATOM 484 SG CYS A 28 -15.716 1.691 1.925 1.00 0.00 S ATOM 0 H CYS A 28 -18.385 0.724 3.648 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.351 1.604 1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.303 2.516 0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.562 3.235 1.892 1.00 0.00 H new ATOM 489 N ASP A 29 -17.911 -0.315 -0.057 1.00 0.00 N ATOM 490 CA ASP A 29 -17.508 -1.620 -0.567 1.00 0.00 C ATOM 491 C ASP A 29 -16.116 -1.994 -0.065 1.00 0.00 C ATOM 492 O ASP A 29 -15.232 -1.143 0.037 1.00 0.00 O ATOM 493 CB ASP A 29 -17.529 -1.622 -2.096 1.00 0.00 C ATOM 494 CG ASP A 29 -18.686 -0.822 -2.661 1.00 0.00 C ATOM 495 OD1 ASP A 29 -18.715 0.409 -2.452 1.00 0.00 O ATOM 496 OD2 ASP A 29 -19.564 -1.427 -3.311 1.00 0.00 O ATOM 0 H ASP A 29 -18.054 0.393 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.218 -2.361 -0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.591 -1.212 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.593 -2.650 -2.454 1.00 0.00 H new ATOM 501 N LEU A 30 -15.930 -3.271 0.250 1.00 0.00 N ATOM 502 CA LEU A 30 -14.647 -3.758 0.743 1.00 0.00 C ATOM 503 C LEU A 30 -13.746 -4.186 -0.412 1.00 0.00 C ATOM 504 O LEU A 30 -14.210 -4.776 -1.388 1.00 0.00 O ATOM 505 CB LEU A 30 -14.858 -4.932 1.701 1.00 0.00 C ATOM 506 CG LEU A 30 -15.023 -4.572 3.178 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.715 -5.700 3.928 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.672 -4.262 3.805 1.00 0.00 C ATOM 0 H LEU A 30 -16.652 -3.988 0.173 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.159 -2.943 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.743 -5.482 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.010 -5.610 1.605 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.647 -3.681 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.824 -5.426 4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.700 -5.875 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.118 -6.609 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.808 -4.008 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.024 -5.135 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.214 -3.421 3.285 1.00 0.00 H new ATOM 520 N ILE A 31 -12.457 -3.885 -0.293 1.00 0.00 N ATOM 521 CA ILE A 31 -11.492 -4.241 -1.325 1.00 0.00 C ATOM 522 C ILE A 31 -10.235 -4.852 -0.715 1.00 0.00 C ATOM 523 O ILE A 31 -9.801 -4.455 0.366 1.00 0.00 O ATOM 524 CB ILE A 31 -11.095 -3.017 -2.171 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.553 -1.903 -1.273 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.287 -2.522 -2.977 1.00 0.00 C ATOM 527 CD1 ILE A 31 -9.058 -1.973 -1.058 1.00 0.00 C ATOM 0 H ILE A 31 -12.057 -3.396 0.508 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.975 -4.976 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.309 -3.313 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.804 -0.938 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.053 -1.951 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.991 -1.657 -3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.633 -3.315 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.092 -2.239 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.745 -1.153 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.802 -2.923 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.548 -1.894 -2.018 1.00 0.00 H new ATOM 539 N GLY A 32 -9.653 -5.819 -1.417 1.00 0.00 N ATOM 540 CA GLY A 32 -8.450 -6.468 -0.930 1.00 0.00 C ATOM 541 C GLY A 32 -7.199 -5.660 -1.214 1.00 0.00 C ATOM 542 O GLY A 32 -7.082 -5.032 -2.267 1.00 0.00 O ATOM 0 H GLY A 32 -9.993 -6.165 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.538 -6.630 0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.358 -7.450 -1.394 1.00 0.00 H new ATOM 546 N CYS A 33 -6.261 -5.674 -0.273 1.00 0.00 N ATOM 547 CA CYS A 33 -5.013 -4.935 -0.425 1.00 0.00 C ATOM 548 C CYS A 33 -4.446 -5.111 -1.831 1.00 0.00 C ATOM 549 O CYS A 33 -4.386 -6.216 -2.370 1.00 0.00 O ATOM 550 CB CYS A 33 -3.990 -5.402 0.612 1.00 0.00 C ATOM 551 SG CYS A 33 -2.575 -4.275 0.820 1.00 0.00 S ATOM 0 H CYS A 33 -6.341 -6.189 0.604 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.223 -3.877 -0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.491 -5.520 1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.618 -6.385 0.323 1.00 0.00 H new ATOM 556 N PRO A 34 -4.018 -3.995 -2.440 1.00 0.00 N ATOM 557 CA PRO A 34 -3.447 -3.999 -3.790 1.00 0.00 C ATOM 558 C PRO A 34 -2.077 -4.667 -3.838 1.00 0.00 C ATOM 559 O PRO A 34 -1.526 -4.899 -4.914 1.00 0.00 O ATOM 560 CB PRO A 34 -3.329 -2.511 -4.129 1.00 0.00 C ATOM 561 CG PRO A 34 -3.228 -1.828 -2.809 1.00 0.00 C ATOM 562 CD PRO A 34 -4.059 -2.643 -1.857 1.00 0.00 C ATOM 0 HA PRO A 34 -4.062 -4.563 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.452 -2.314 -4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.197 -2.163 -4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.192 -1.775 -2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.596 -0.804 -2.870 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.646 -2.628 -0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.079 -2.265 -1.789 1.00 0.00 H new ATOM 570 N LEU A 35 -1.533 -4.974 -2.666 1.00 0.00 N ATOM 571 CA LEU A 35 -0.226 -5.616 -2.574 1.00 0.00 C ATOM 572 C LEU A 35 -0.360 -7.055 -2.084 1.00 0.00 C ATOM 573 O LEU A 35 0.604 -7.650 -1.602 1.00 0.00 O ATOM 574 CB LEU A 35 0.687 -4.828 -1.633 1.00 0.00 C ATOM 575 CG LEU A 35 1.102 -3.436 -2.112 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.720 -2.642 -0.971 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.073 -3.541 -3.279 1.00 0.00 C ATOM 0 H LEU A 35 -1.976 -4.789 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 35 0.215 -5.630 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.183 -4.725 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.589 -5.414 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 35 0.211 -2.909 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.009 -1.654 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.993 -2.537 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.601 -3.165 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.357 -2.541 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.963 -4.086 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.595 -4.071 -4.103 1.00 0.00 H new ATOM 589 N VAL A 36 -1.562 -7.609 -2.212 1.00 0.00 N ATOM 590 CA VAL A 36 -1.821 -8.979 -1.785 1.00 0.00 C ATOM 591 C VAL A 36 -1.143 -9.277 -0.453 1.00 0.00 C ATOM 592 O VAL A 36 -0.649 -10.382 -0.228 1.00 0.00 O ATOM 593 CB VAL A 36 -1.335 -9.995 -2.835 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.976 -9.716 -4.186 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.183 -9.967 -2.940 1.00 0.00 C ATOM 0 H VAL A 36 -2.371 -7.130 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.900 -9.076 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.637 -10.993 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.620 -10.444 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.060 -9.791 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.708 -8.712 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.509 -10.691 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.509 -8.970 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.619 -10.220 -1.974 1.00 0.00 H new ATOM 605 N CYS A 37 -1.123 -8.284 0.430 1.00 0.00 N ATOM 606 CA CYS A 37 -0.506 -8.438 1.742 1.00 0.00 C ATOM 607 C CYS A 37 -1.238 -9.493 2.567 1.00 0.00 C ATOM 608 O CYS A 37 -0.653 -10.127 3.443 1.00 0.00 O ATOM 609 CB CYS A 37 -0.504 -7.103 2.488 1.00 0.00 C ATOM 610 SG CYS A 37 -2.031 -6.772 3.425 1.00 0.00 S ATOM 0 H CYS A 37 -1.528 -7.363 0.260 1.00 0.00 H new ATOM 0 HA CYS A 37 0.523 -8.766 1.595 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.342 -7.084 3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.350 -6.298 1.770 1.00 0.00 H new ATOM 615 N GLY A 38 -2.523 -9.676 2.278 1.00 0.00 N ATOM 616 CA GLY A 38 -3.314 -10.654 3.001 1.00 0.00 C ATOM 617 C GLY A 38 -4.222 -10.017 4.034 1.00 0.00 C ATOM 618 O GLY A 38 -4.251 -10.441 5.189 1.00 0.00 O ATOM 0 H GLY A 38 -3.030 -9.164 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.917 -11.223 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.648 -11.362 3.494 1.00 0.00 H new ATOM 622 N ALA A 39 -4.963 -8.995 3.619 1.00 0.00 N ATOM 623 CA ALA A 39 -5.875 -8.298 4.517 1.00 0.00 C ATOM 624 C ALA A 39 -6.983 -7.596 3.738 1.00 0.00 C ATOM 625 O ALA A 39 -6.731 -6.970 2.709 1.00 0.00 O ATOM 626 CB ALA A 39 -5.112 -7.297 5.372 1.00 0.00 C ATOM 0 H ALA A 39 -4.949 -8.631 2.666 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.338 -9.038 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.806 -6.784 6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.362 -7.821 5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.621 -6.568 4.728 1.00 0.00 H new ATOM 632 N VAL A 40 -8.210 -7.706 4.236 1.00 0.00 N ATOM 633 CA VAL A 40 -9.357 -7.082 3.587 1.00 0.00 C ATOM 634 C VAL A 40 -9.850 -5.878 4.382 1.00 0.00 C ATOM 635 O VAL A 40 -10.283 -6.012 5.527 1.00 0.00 O ATOM 636 CB VAL A 40 -10.517 -8.080 3.414 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.722 -7.396 2.788 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.075 -9.271 2.578 1.00 0.00 C ATOM 0 H VAL A 40 -8.436 -8.221 5.087 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.023 -6.752 2.603 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.809 -8.445 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.531 -8.117 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.052 -6.580 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.448 -7.000 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.907 -9.966 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.755 -8.927 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.245 -9.775 3.073 1.00 0.00 H new ATOM 648 N PHE A 41 -9.783 -4.702 3.767 1.00 0.00 N ATOM 649 CA PHE A 41 -10.223 -3.473 4.418 1.00 0.00 C ATOM 650 C PHE A 41 -11.113 -2.654 3.488 1.00 0.00 C ATOM 651 O PHE A 41 -11.066 -2.811 2.267 1.00 0.00 O ATOM 652 CB PHE A 41 -9.015 -2.640 4.851 1.00 0.00 C ATOM 653 CG PHE A 41 -7.833 -2.777 3.935 1.00 0.00 C ATOM 654 CD1 PHE A 41 -6.948 -3.834 4.077 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.605 -1.848 2.933 1.00 0.00 C ATOM 656 CE1 PHE A 41 -5.860 -3.963 3.235 1.00 0.00 C ATOM 657 CE2 PHE A 41 -6.519 -1.971 2.088 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.644 -3.030 2.240 1.00 0.00 C ATOM 0 H PHE A 41 -9.428 -4.574 2.819 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.803 -3.745 5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.306 -1.591 4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.721 -2.937 5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.111 -4.565 4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.285 -1.017 2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.179 -4.793 3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.354 -1.241 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.793 -3.128 1.582 1.00 0.00 H new ATOM 668 N HIS A 42 -11.923 -1.778 4.074 1.00 0.00 N ATOM 669 CA HIS A 42 -12.825 -0.933 3.298 1.00 0.00 C ATOM 670 C HIS A 42 -12.040 -0.009 2.372 1.00 0.00 C ATOM 671 O HIS A 42 -11.065 0.618 2.785 1.00 0.00 O ATOM 672 CB HIS A 42 -13.712 -0.107 4.231 1.00 0.00 C ATOM 673 CG HIS A 42 -14.901 -0.858 4.746 1.00 0.00 C ATOM 674 ND1 HIS A 42 -16.100 -0.925 4.069 1.00 0.00 N ATOM 675 CD2 HIS A 42 -15.070 -1.578 5.880 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.956 -1.652 4.764 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.356 -2.061 5.868 1.00 0.00 N ATOM 0 H HIS A 42 -11.974 -1.635 5.083 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.456 -1.580 2.688 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.116 0.237 5.076 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.055 0.781 3.701 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.296 -0.482 3.171 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.331 -1.742 6.651 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.974 -1.874 4.479 1.00 0.00 H new ATOM 685 N SER A 43 -12.473 0.071 1.118 1.00 0.00 N ATOM 686 CA SER A 43 -11.809 0.915 0.132 1.00 0.00 C ATOM 687 C SER A 43 -11.343 2.224 0.763 1.00 0.00 C ATOM 688 O SER A 43 -10.256 2.719 0.463 1.00 0.00 O ATOM 689 CB SER A 43 -12.750 1.207 -1.038 1.00 0.00 C ATOM 690 OG SER A 43 -13.858 1.985 -0.620 1.00 0.00 O ATOM 0 H SER A 43 -13.281 -0.439 0.761 1.00 0.00 H new ATOM 0 HA SER A 43 -10.935 0.379 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.207 1.734 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.102 0.269 -1.468 1.00 0.00 H new ATOM 0 HG SER A 43 -14.244 1.595 0.192 1.00 0.00 H new ATOM 696 N CYS A 44 -12.173 2.779 1.640 1.00 0.00 N ATOM 697 CA CYS A 44 -11.849 4.030 2.314 1.00 0.00 C ATOM 698 C CYS A 44 -10.664 3.848 3.258 1.00 0.00 C ATOM 699 O CYS A 44 -9.784 4.706 3.341 1.00 0.00 O ATOM 700 CB CYS A 44 -13.061 4.543 3.094 1.00 0.00 C ATOM 701 SG CYS A 44 -13.531 3.497 4.510 1.00 0.00 S ATOM 0 H CYS A 44 -13.076 2.381 1.900 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.578 4.763 1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.848 5.550 3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.910 4.620 2.415 1.00 0.00 H new ATOM 706 N LYS A 45 -10.647 2.725 3.968 1.00 0.00 N ATOM 707 CA LYS A 45 -9.570 2.427 4.905 1.00 0.00 C ATOM 708 C LYS A 45 -8.249 2.223 4.170 1.00 0.00 C ATOM 709 O LYS A 45 -7.200 2.684 4.619 1.00 0.00 O ATOM 710 CB LYS A 45 -9.909 1.179 5.723 1.00 0.00 C ATOM 711 CG LYS A 45 -11.050 1.386 6.704 1.00 0.00 C ATOM 712 CD LYS A 45 -10.629 2.258 7.875 1.00 0.00 C ATOM 713 CE LYS A 45 -11.794 3.077 8.407 1.00 0.00 C ATOM 714 NZ LYS A 45 -11.909 4.392 7.717 1.00 0.00 N ATOM 0 H LYS A 45 -11.368 2.005 3.912 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.463 3.277 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.169 0.368 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.022 0.863 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.893 1.848 6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.393 0.420 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.230 1.631 8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.826 2.926 7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.720 2.517 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.666 3.239 9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.480 5.039 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.961 4.796 7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.366 4.260 6.792 1.00 0.00 H new ATOM 728 N ALA A 46 -8.309 1.531 3.037 1.00 0.00 N ATOM 729 CA ALA A 46 -7.119 1.269 2.238 1.00 0.00 C ATOM 730 C ALA A 46 -6.119 2.415 2.350 1.00 0.00 C ATOM 731 O ALA A 46 -4.983 2.220 2.783 1.00 0.00 O ATOM 732 CB ALA A 46 -7.499 1.040 0.783 1.00 0.00 C ATOM 0 H ALA A 46 -9.170 1.142 2.652 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.644 0.367 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.600 0.846 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.170 0.184 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.000 1.926 0.394 1.00 0.00 H new ATOM 738 N ASP A 47 -6.548 3.609 1.958 1.00 0.00 N ATOM 739 CA ASP A 47 -5.691 4.787 2.016 1.00 0.00 C ATOM 740 C ASP A 47 -4.851 4.786 3.289 1.00 0.00 C ATOM 741 O ASP A 47 -3.650 5.051 3.251 1.00 0.00 O ATOM 742 CB ASP A 47 -6.533 6.062 1.946 1.00 0.00 C ATOM 743 CG ASP A 47 -6.816 6.493 0.521 1.00 0.00 C ATOM 744 OD1 ASP A 47 -7.712 5.897 -0.113 1.00 0.00 O ATOM 745 OD2 ASP A 47 -6.141 7.427 0.039 1.00 0.00 O ATOM 0 H ASP A 47 -7.485 3.787 1.596 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.019 4.758 1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.476 5.900 2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.014 6.865 2.469 1.00 0.00 H new ATOM 750 N GLU A 48 -5.492 4.487 4.415 1.00 0.00 N ATOM 751 CA GLU A 48 -4.803 4.454 5.699 1.00 0.00 C ATOM 752 C GLU A 48 -4.074 3.128 5.892 1.00 0.00 C ATOM 753 O GLU A 48 -2.881 3.101 6.195 1.00 0.00 O ATOM 754 CB GLU A 48 -5.798 4.672 6.842 1.00 0.00 C ATOM 755 CG GLU A 48 -6.576 5.972 6.731 1.00 0.00 C ATOM 756 CD GLU A 48 -6.986 6.524 8.083 1.00 0.00 C ATOM 757 OE1 GLU A 48 -7.531 5.752 8.899 1.00 0.00 O ATOM 758 OE2 GLU A 48 -6.761 7.728 8.325 1.00 0.00 O ATOM 0 H GLU A 48 -6.486 4.264 4.463 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.067 5.258 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.500 3.839 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.259 4.661 7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.968 6.712 6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.467 5.807 6.125 1.00 0.00 H new ATOM 765 N HIS A 49 -4.800 2.029 5.713 1.00 0.00 N ATOM 766 CA HIS A 49 -4.222 0.698 5.867 1.00 0.00 C ATOM 767 C HIS A 49 -2.810 0.649 5.293 1.00 0.00 C ATOM 768 O HIS A 49 -1.866 0.249 5.974 1.00 0.00 O ATOM 769 CB HIS A 49 -5.102 -0.345 5.177 1.00 0.00 C ATOM 770 CG HIS A 49 -4.422 -1.665 4.978 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.512 -2.702 5.881 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.638 -2.113 3.969 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.812 -3.731 5.437 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.272 -3.399 4.279 1.00 0.00 N ATOM 0 H HIS A 49 -5.788 2.033 5.461 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.170 0.472 6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.004 -0.496 5.769 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.418 0.042 4.208 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -5.037 -2.679 6.755 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.354 -1.561 3.085 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.701 -4.682 5.937 1.00 0.00 H new ATOM 782 N ARG A 50 -2.673 1.058 4.036 1.00 0.00 N ATOM 783 CA ARG A 50 -1.376 1.059 3.370 1.00 0.00 C ATOM 784 C ARG A 50 -0.270 1.481 4.333 1.00 0.00 C ATOM 785 O ARG A 50 0.814 0.897 4.345 1.00 0.00 O ATOM 786 CB ARG A 50 -1.400 1.997 2.161 1.00 0.00 C ATOM 787 CG ARG A 50 -1.102 3.446 2.509 1.00 0.00 C ATOM 788 CD ARG A 50 -1.075 4.323 1.267 1.00 0.00 C ATOM 789 NE ARG A 50 -2.317 4.231 0.505 1.00 0.00 N ATOM 790 CZ ARG A 50 -2.405 4.501 -0.793 1.00 0.00 C ATOM 791 NH1 ARG A 50 -1.329 4.878 -1.469 1.00 0.00 N ATOM 792 NH2 ARG A 50 -3.572 4.394 -1.417 1.00 0.00 N ATOM 0 H ARG A 50 -3.444 1.393 3.458 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.170 0.044 3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.671 1.651 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.380 1.940 1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.857 3.818 3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.142 3.508 3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.905 5.359 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.238 4.029 0.633 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.164 3.944 0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.431 4.961 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.399 5.085 -2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.402 4.104 -0.900 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.638 4.602 -2.413 1.00 0.00 H new ATOM 806 N LEU A 51 -0.552 2.499 5.139 1.00 0.00 N ATOM 807 CA LEU A 51 0.419 3.001 6.106 1.00 0.00 C ATOM 808 C LEU A 51 0.951 1.869 6.980 1.00 0.00 C ATOM 809 O LEU A 51 2.162 1.683 7.102 1.00 0.00 O ATOM 810 CB LEU A 51 -0.217 4.081 6.982 1.00 0.00 C ATOM 811 CG LEU A 51 -0.845 5.262 6.241 1.00 0.00 C ATOM 812 CD1 LEU A 51 -1.665 6.116 7.196 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.229 6.099 5.562 1.00 0.00 C ATOM 0 H LEU A 51 -1.444 2.993 5.142 1.00 0.00 H new ATOM 0 HA LEU A 51 1.254 3.434 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.985 3.615 7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.545 4.467 7.659 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.511 4.871 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.104 6.952 6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.459 5.511 7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.020 6.498 7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.237 6.935 5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.921 6.481 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.773 5.482 4.847 1.00 0.00 H new ATOM 825 N LEU A 52 0.039 1.116 7.583 1.00 0.00 N ATOM 826 CA LEU A 52 0.416 0.000 8.444 1.00 0.00 C ATOM 827 C LEU A 52 0.892 -1.190 7.617 1.00 0.00 C ATOM 828 O LEU A 52 1.926 -1.790 7.911 1.00 0.00 O ATOM 829 CB LEU A 52 -0.766 -0.414 9.322 1.00 0.00 C ATOM 830 CG LEU A 52 -1.432 0.705 10.123 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.552 1.345 9.317 1.00 0.00 C ATOM 832 CD2 LEU A 52 -1.962 0.171 11.446 1.00 0.00 C ATOM 0 H LEU A 52 -0.967 1.257 7.492 1.00 0.00 H new ATOM 0 HA LEU A 52 1.237 0.327 9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.521 -0.877 8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.424 -1.179 10.019 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.684 1.468 10.336 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.014 2.139 9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.145 1.764 8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.301 0.592 9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.433 0.981 12.003 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.696 -0.612 11.255 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.138 -0.239 12.029 1.00 0.00 H new ATOM 844 N CYS A 53 0.132 -1.524 6.580 1.00 0.00 N ATOM 845 CA CYS A 53 0.475 -2.641 5.708 1.00 0.00 C ATOM 846 C CYS A 53 1.989 -2.796 5.594 1.00 0.00 C ATOM 847 O CYS A 53 2.720 -1.836 5.349 1.00 0.00 O ATOM 848 CB CYS A 53 -0.134 -2.437 4.319 1.00 0.00 C ATOM 849 SG CYS A 53 0.188 -3.804 3.159 1.00 0.00 S ATOM 0 H CYS A 53 -0.726 -1.037 6.323 1.00 0.00 H new ATOM 0 HA CYS A 53 0.066 -3.551 6.146 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.211 -2.308 4.422 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.259 -1.513 3.894 1.00 0.00 H new ATOM 854 N PRO A 54 2.472 -4.034 5.776 1.00 0.00 N ATOM 855 CA PRO A 54 3.902 -4.346 5.698 1.00 0.00 C ATOM 856 C PRO A 54 4.442 -4.238 4.276 1.00 0.00 C ATOM 857 O PRO A 54 5.512 -3.673 4.048 1.00 0.00 O ATOM 858 CB PRO A 54 3.978 -5.793 6.191 1.00 0.00 C ATOM 859 CG PRO A 54 2.631 -6.361 5.905 1.00 0.00 C ATOM 860 CD PRO A 54 1.659 -5.226 6.072 1.00 0.00 C ATOM 0 HA PRO A 54 4.503 -3.650 6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.760 -6.348 5.672 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.209 -5.837 7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.586 -6.768 4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.399 -7.178 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.815 -5.316 5.389 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.250 -5.193 7.082 1.00 0.00 H new ATOM 868 N PHE A 55 3.695 -4.783 3.321 1.00 0.00 N ATOM 869 CA PHE A 55 4.099 -4.749 1.921 1.00 0.00 C ATOM 870 C PHE A 55 4.407 -3.321 1.478 1.00 0.00 C ATOM 871 O PHE A 55 5.380 -3.079 0.765 1.00 0.00 O ATOM 872 CB PHE A 55 3.000 -5.343 1.036 1.00 0.00 C ATOM 873 CG PHE A 55 3.082 -6.837 0.902 1.00 0.00 C ATOM 874 CD1 PHE A 55 3.123 -7.646 2.026 1.00 0.00 C ATOM 875 CD2 PHE A 55 3.116 -7.432 -0.349 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.199 -9.020 1.905 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.191 -8.806 -0.476 1.00 0.00 C ATOM 878 CZ PHE A 55 3.232 -9.601 0.652 1.00 0.00 C ATOM 0 H PHE A 55 2.806 -5.254 3.492 1.00 0.00 H new ATOM 0 HA PHE A 55 5.004 -5.347 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.027 -5.076 1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.060 -4.893 0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.095 -7.197 3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.084 -6.815 -1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.233 -9.639 2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.218 -9.258 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.290 -10.675 0.555 1.00 0.00 H new ATOM 888 N GLU A 56 3.569 -2.382 1.907 1.00 0.00 N ATOM 889 CA GLU A 56 3.752 -0.979 1.553 1.00 0.00 C ATOM 890 C GLU A 56 5.232 -0.607 1.547 1.00 0.00 C ATOM 891 O GLU A 56 5.994 -1.037 2.413 1.00 0.00 O ATOM 892 CB GLU A 56 2.993 -0.081 2.533 1.00 0.00 C ATOM 893 CG GLU A 56 2.514 1.224 1.917 1.00 0.00 C ATOM 894 CD GLU A 56 1.690 1.009 0.663 1.00 0.00 C ATOM 895 OE1 GLU A 56 0.919 0.027 0.622 1.00 0.00 O ATOM 896 OE2 GLU A 56 1.815 1.821 -0.277 1.00 0.00 O ATOM 0 H GLU A 56 2.759 -2.567 2.499 1.00 0.00 H new ATOM 0 HA GLU A 56 3.354 -0.829 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.133 -0.627 2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.639 0.143 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.919 1.770 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.376 1.847 1.678 1.00 0.00 H new ATOM 903 N ARG A 57 5.630 0.194 0.564 1.00 0.00 N ATOM 904 CA ARG A 57 7.019 0.622 0.444 1.00 0.00 C ATOM 905 C ARG A 57 7.442 1.443 1.659 1.00 0.00 C ATOM 906 O ARG A 57 6.782 2.416 2.024 1.00 0.00 O ATOM 907 CB ARG A 57 7.212 1.443 -0.832 1.00 0.00 C ATOM 908 CG ARG A 57 8.558 2.145 -0.907 1.00 0.00 C ATOM 909 CD ARG A 57 8.681 2.983 -2.170 1.00 0.00 C ATOM 910 NE ARG A 57 8.590 2.168 -3.378 1.00 0.00 N ATOM 911 CZ ARG A 57 8.573 2.675 -4.606 1.00 0.00 C ATOM 912 NH1 ARG A 57 8.640 3.986 -4.787 1.00 0.00 N ATOM 913 NH2 ARG A 57 8.489 1.868 -5.656 1.00 0.00 N ATOM 0 H ARG A 57 5.011 0.559 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 57 7.645 -0.269 0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.105 0.787 -1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.419 2.188 -0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.686 2.783 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.357 1.405 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.895 3.738 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.633 3.514 -2.162 1.00 0.00 H new ATOM 0 HE ARG A 57 8.537 1.155 -3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.705 4.609 -3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.627 4.372 -5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.437 0.858 -5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.476 2.257 -6.599 1.00 0.00 H new ATOM 927 N VAL A 58 8.547 1.044 2.281 1.00 0.00 N ATOM 928 CA VAL A 58 9.059 1.742 3.454 1.00 0.00 C ATOM 929 C VAL A 58 10.578 1.852 3.408 1.00 0.00 C ATOM 930 O VAL A 58 11.275 0.967 2.911 1.00 0.00 O ATOM 931 CB VAL A 58 8.645 1.030 4.755 1.00 0.00 C ATOM 932 CG1 VAL A 58 7.131 0.909 4.840 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.304 -0.338 4.846 1.00 0.00 C ATOM 0 H VAL A 58 9.105 0.241 1.992 1.00 0.00 H new ATOM 0 HA VAL A 58 8.625 2.742 3.442 1.00 0.00 H new ATOM 0 HB VAL A 58 8.985 1.629 5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.858 0.403 5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.685 1.903 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.764 0.333 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.000 -0.827 5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.997 -0.947 3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.388 -0.221 4.836 1.00 0.00 H new ATOM 943 N PRO A 59 11.107 2.964 3.939 1.00 0.00 N ATOM 944 CA PRO A 59 12.551 3.217 3.972 1.00 0.00 C ATOM 945 C PRO A 59 13.279 2.291 4.940 1.00 0.00 C ATOM 946 O PRO A 59 12.740 1.918 5.983 1.00 0.00 O ATOM 947 CB PRO A 59 12.647 4.669 4.446 1.00 0.00 C ATOM 948 CG PRO A 59 11.392 4.899 5.216 1.00 0.00 C ATOM 949 CD PRO A 59 10.337 4.061 4.548 1.00 0.00 C ATOM 0 HA PRO A 59 13.018 3.040 3.003 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.528 4.825 5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.726 5.356 3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.516 4.611 6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.116 5.954 5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.606 3.689 5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.787 4.630 3.799 1.00 0.00 H new ATOM 957 N CYS A 60 14.507 1.923 4.590 1.00 0.00 N ATOM 958 CA CYS A 60 15.310 1.041 5.427 1.00 0.00 C ATOM 959 C CYS A 60 15.224 1.455 6.894 1.00 0.00 C ATOM 960 O CYS A 60 15.259 2.643 7.217 1.00 0.00 O ATOM 961 CB CYS A 60 16.769 1.054 4.967 1.00 0.00 C ATOM 962 SG CYS A 60 17.931 0.312 6.158 1.00 0.00 S ATOM 0 H CYS A 60 14.968 2.223 3.731 1.00 0.00 H new ATOM 0 HA CYS A 60 14.914 0.030 5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.845 0.519 4.020 1.00 0.00 H new ATOM 0 HB3 CYS A 60 17.069 2.084 4.776 1.00 0.00 H new ATOM 967 N LEU A 61 15.110 0.469 7.776 1.00 0.00 N ATOM 968 CA LEU A 61 15.019 0.730 9.208 1.00 0.00 C ATOM 969 C LEU A 61 16.003 1.817 9.627 1.00 0.00 C ATOM 970 O LEU A 61 15.648 2.741 10.357 1.00 0.00 O ATOM 971 CB LEU A 61 15.291 -0.552 9.998 1.00 0.00 C ATOM 972 CG LEU A 61 14.077 -1.440 10.274 1.00 0.00 C ATOM 973 CD1 LEU A 61 14.508 -2.747 10.921 1.00 0.00 C ATOM 974 CD2 LEU A 61 13.072 -0.713 11.155 1.00 0.00 C ATOM 0 H LEU A 61 15.078 -0.519 7.525 1.00 0.00 H new ATOM 0 HA LEU A 61 14.009 1.077 9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.030 -1.140 9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.741 -0.278 10.953 1.00 0.00 H new ATOM 0 HG LEU A 61 13.596 -1.670 9.323 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.631 -3.366 11.110 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.189 -3.276 10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.014 -2.537 11.863 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.215 -1.361 11.340 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.541 -0.452 12.103 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.738 0.195 10.653 1.00 0.00 H new ATOM 986 N ASN A 62 17.241 1.701 9.158 1.00 0.00 N ATOM 987 CA ASN A 62 18.276 2.675 9.482 1.00 0.00 C ATOM 988 C ASN A 62 18.320 3.790 8.441 1.00 0.00 C ATOM 989 O ASN A 62 19.394 4.222 8.025 1.00 0.00 O ATOM 990 CB ASN A 62 19.641 1.990 9.570 1.00 0.00 C ATOM 991 CG ASN A 62 19.583 0.679 10.329 1.00 0.00 C ATOM 992 OD1 ASN A 62 19.647 0.657 11.558 1.00 0.00 O ATOM 993 ND2 ASN A 62 19.460 -0.423 9.598 1.00 0.00 N ATOM 0 H ASN A 62 17.552 0.942 8.552 1.00 0.00 H new ATOM 0 HA ASN A 62 18.035 3.115 10.450 1.00 0.00 H new ATOM 0 HB2 ASN A 62 20.018 1.808 8.564 1.00 0.00 H new ATOM 0 HB3 ASN A 62 20.349 2.659 10.059 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.415 -1.335 10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 62 19.411 -0.358 8.581 1.00 0.00 H new ATOM 1000 N SER A 63 17.144 4.251 8.027 1.00 0.00 N ATOM 1001 CA SER A 63 17.048 5.313 7.032 1.00 0.00 C ATOM 1002 C SER A 63 17.716 6.589 7.534 1.00 0.00 C ATOM 1003 O SER A 63 18.453 7.247 6.799 1.00 0.00 O ATOM 1004 CB SER A 63 15.582 5.591 6.693 1.00 0.00 C ATOM 1005 OG SER A 63 15.470 6.599 5.703 1.00 0.00 O ATOM 0 H SER A 63 16.245 3.906 8.365 1.00 0.00 H new ATOM 0 HA SER A 63 17.566 4.982 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.107 4.676 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.050 5.900 7.593 1.00 0.00 H new ATOM 0 HG SER A 63 14.524 6.757 5.503 1.00 0.00 H new ATOM 1011 N ASP A 64 17.454 6.933 8.790 1.00 0.00 N ATOM 1012 CA ASP A 64 18.031 8.129 9.392 1.00 0.00 C ATOM 1013 C ASP A 64 19.475 8.324 8.938 1.00 0.00 C ATOM 1014 O ASP A 64 19.841 9.387 8.436 1.00 0.00 O ATOM 1015 CB ASP A 64 17.970 8.039 10.917 1.00 0.00 C ATOM 1016 CG ASP A 64 16.562 7.802 11.427 1.00 0.00 C ATOM 1017 OD1 ASP A 64 15.711 8.700 11.258 1.00 0.00 O ATOM 1018 OD2 ASP A 64 16.312 6.718 11.995 1.00 0.00 O ATOM 0 H ASP A 64 16.845 6.400 9.411 1.00 0.00 H new ATOM 0 HA ASP A 64 17.447 8.989 9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 64 18.617 7.230 11.257 1.00 0.00 H new ATOM 0 HB3 ASP A 64 18.359 8.961 11.348 1.00 0.00 H new ATOM 1023 N PHE A 65 20.291 7.291 9.120 1.00 0.00 N ATOM 1024 CA PHE A 65 21.695 7.349 8.732 1.00 0.00 C ATOM 1025 C PHE A 65 21.843 7.856 7.301 1.00 0.00 C ATOM 1026 O PHE A 65 22.716 8.672 7.006 1.00 0.00 O ATOM 1027 CB PHE A 65 22.341 5.968 8.866 1.00 0.00 C ATOM 1028 CG PHE A 65 22.660 5.590 10.284 1.00 0.00 C ATOM 1029 CD1 PHE A 65 21.665 5.140 11.136 1.00 0.00 C ATOM 1030 CD2 PHE A 65 23.956 5.686 10.765 1.00 0.00 C ATOM 1031 CE1 PHE A 65 21.955 4.791 12.441 1.00 0.00 C ATOM 1032 CE2 PHE A 65 24.252 5.339 12.070 1.00 0.00 C ATOM 1033 CZ PHE A 65 23.251 4.892 12.909 1.00 0.00 C ATOM 0 H PHE A 65 20.004 6.404 9.534 1.00 0.00 H new ATOM 0 HA PHE A 65 22.202 8.046 9.400 1.00 0.00 H new ATOM 0 HB2 PHE A 65 21.672 5.220 8.441 1.00 0.00 H new ATOM 0 HB3 PHE A 65 23.258 5.946 8.278 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.650 5.061 10.776 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.743 6.036 10.113 1.00 0.00 H new ATOM 0 HE1 PHE A 65 21.170 4.440 13.094 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.266 5.418 12.433 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.480 4.622 13.929 1.00 0.00 H new ATOM 1043 N GLY A 66 20.984 7.364 6.413 1.00 0.00 N ATOM 1044 CA GLY A 66 21.036 7.777 5.023 1.00 0.00 C ATOM 1045 C GLY A 66 21.071 6.599 4.069 1.00 0.00 C ATOM 1046 O GLY A 66 21.951 6.510 3.213 1.00 0.00 O ATOM 0 H GLY A 66 20.253 6.687 6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.168 8.397 4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 66 21.919 8.396 4.864 1.00 0.00 H new ATOM 1050 N CYS A 67 20.111 5.691 4.217 1.00 0.00 N ATOM 1051 CA CYS A 67 20.036 4.512 3.364 1.00 0.00 C ATOM 1052 C CYS A 67 18.980 4.693 2.277 1.00 0.00 C ATOM 1053 O CYS A 67 17.777 4.691 2.540 1.00 0.00 O ATOM 1054 CB CYS A 67 19.716 3.271 4.200 1.00 0.00 C ATOM 1055 SG CYS A 67 20.328 1.713 3.483 1.00 0.00 S ATOM 0 H CYS A 67 19.375 5.750 4.920 1.00 0.00 H new ATOM 0 HA CYS A 67 21.006 4.379 2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 67 20.146 3.395 5.194 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.636 3.200 4.327 1.00 0.00 H new ATOM 1060 N PRO A 68 19.438 4.852 1.027 1.00 0.00 N ATOM 1061 CA PRO A 68 18.550 5.036 -0.125 1.00 0.00 C ATOM 1062 C PRO A 68 17.774 3.769 -0.466 1.00 0.00 C ATOM 1063 O PRO A 68 17.017 3.735 -1.437 1.00 0.00 O ATOM 1064 CB PRO A 68 19.512 5.396 -1.260 1.00 0.00 C ATOM 1065 CG PRO A 68 20.813 4.792 -0.860 1.00 0.00 C ATOM 1066 CD PRO A 68 20.860 4.863 0.641 1.00 0.00 C ATOM 0 HA PRO A 68 17.789 5.793 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.167 4.996 -2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.597 6.476 -1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.886 3.760 -1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 68 21.648 5.336 -1.302 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.399 4.016 1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 68 21.363 5.767 0.985 1.00 0.00 H new ATOM 1074 N PHE A 69 17.965 2.728 0.338 1.00 0.00 N ATOM 1075 CA PHE A 69 17.282 1.458 0.121 1.00 0.00 C ATOM 1076 C PHE A 69 15.841 1.524 0.616 1.00 0.00 C ATOM 1077 O PHE A 69 15.580 1.911 1.756 1.00 0.00 O ATOM 1078 CB PHE A 69 18.027 0.326 0.832 1.00 0.00 C ATOM 1079 CG PHE A 69 19.262 -0.127 0.108 1.00 0.00 C ATOM 1080 CD1 PHE A 69 20.457 0.559 0.253 1.00 0.00 C ATOM 1081 CD2 PHE A 69 19.228 -1.238 -0.719 1.00 0.00 C ATOM 1082 CE1 PHE A 69 21.596 0.145 -0.412 1.00 0.00 C ATOM 1083 CE2 PHE A 69 20.364 -1.658 -1.386 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.549 -0.965 -1.234 1.00 0.00 C ATOM 0 H PHE A 69 18.587 2.739 1.146 1.00 0.00 H new ATOM 0 HA PHE A 69 17.270 1.259 -0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.303 0.657 1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.354 -0.523 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 69 20.499 1.428 0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 69 18.304 -1.782 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 69 22.521 0.688 -0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 69 20.325 -2.527 -2.025 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.437 -1.290 -1.756 1.00 0.00 H new ATOM 1094 N THR A 70 14.906 1.142 -0.249 1.00 0.00 N ATOM 1095 CA THR A 70 13.491 1.159 0.098 1.00 0.00 C ATOM 1096 C THR A 70 12.807 -0.138 -0.318 1.00 0.00 C ATOM 1097 O THR A 70 12.968 -0.601 -1.447 1.00 0.00 O ATOM 1098 CB THR A 70 12.764 2.344 -0.564 1.00 0.00 C ATOM 1099 OG1 THR A 70 13.030 2.358 -1.971 1.00 0.00 O ATOM 1100 CG2 THR A 70 13.204 3.663 0.054 1.00 0.00 C ATOM 0 H THR A 70 15.104 0.817 -1.195 1.00 0.00 H new ATOM 0 HA THR A 70 13.433 1.266 1.181 1.00 0.00 H new ATOM 0 HB THR A 70 11.693 2.223 -0.398 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.947 1.449 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.677 4.485 -0.430 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.973 3.661 1.119 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.278 3.789 -0.084 1.00 0.00 H new ATOM 1108 N MET A 71 12.042 -0.720 0.600 1.00 0.00 N ATOM 1109 CA MET A 71 11.332 -1.964 0.327 1.00 0.00 C ATOM 1110 C MET A 71 10.231 -2.199 1.355 1.00 0.00 C ATOM 1111 O MET A 71 10.063 -1.415 2.289 1.00 0.00 O ATOM 1112 CB MET A 71 12.307 -3.143 0.327 1.00 0.00 C ATOM 1113 CG MET A 71 13.131 -3.250 1.600 1.00 0.00 C ATOM 1114 SD MET A 71 14.685 -2.343 1.500 1.00 0.00 S ATOM 1115 CE MET A 71 14.402 -1.051 2.708 1.00 0.00 C ATOM 0 H MET A 71 11.898 -0.350 1.539 1.00 0.00 H new ATOM 0 HA MET A 71 10.872 -1.882 -0.658 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.746 -4.067 0.188 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.980 -3.047 -0.525 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.547 -2.871 2.439 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.340 -4.300 1.805 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.851 -0.121 2.358 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.330 -0.908 2.843 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.853 -1.337 3.659 1.00 0.00 H new ATOM 1125 N ALA A 72 9.483 -3.283 1.178 1.00 0.00 N ATOM 1126 CA ALA A 72 8.399 -3.622 2.092 1.00 0.00 C ATOM 1127 C ALA A 72 8.929 -3.886 3.497 1.00 0.00 C ATOM 1128 O ALA A 72 10.042 -4.383 3.668 1.00 0.00 O ATOM 1129 CB ALA A 72 7.634 -4.832 1.578 1.00 0.00 C ATOM 0 H ALA A 72 9.608 -3.942 0.409 1.00 0.00 H new ATOM 0 HA ALA A 72 7.719 -2.771 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.828 -5.074 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.215 -4.608 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.310 -5.683 1.498 1.00 0.00 H new ATOM 1135 N ARG A 73 8.124 -3.551 4.500 1.00 0.00 N ATOM 1136 CA ARG A 73 8.513 -3.750 5.891 1.00 0.00 C ATOM 1137 C ARG A 73 8.826 -5.219 6.163 1.00 0.00 C ATOM 1138 O ARG A 73 9.769 -5.540 6.884 1.00 0.00 O ATOM 1139 CB ARG A 73 7.402 -3.273 6.828 1.00 0.00 C ATOM 1140 CG ARG A 73 7.567 -1.833 7.285 1.00 0.00 C ATOM 1141 CD ARG A 73 8.751 -1.680 8.227 1.00 0.00 C ATOM 1142 NE ARG A 73 9.219 -0.298 8.298 1.00 0.00 N ATOM 1143 CZ ARG A 73 8.649 0.632 9.056 1.00 0.00 C ATOM 1144 NH1 ARG A 73 7.597 0.330 9.804 1.00 0.00 N ATOM 1145 NH2 ARG A 73 9.133 1.868 9.067 1.00 0.00 N ATOM 0 H ARG A 73 7.199 -3.141 4.375 1.00 0.00 H new ATOM 0 HA ARG A 73 9.412 -3.163 6.077 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.442 -3.377 6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.373 -3.922 7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.705 -1.188 6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.657 -1.502 7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.467 -2.018 9.224 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.566 -2.322 7.892 1.00 0.00 H new ATOM 0 HE ARG A 73 10.027 -0.033 7.735 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.223 -0.619 9.799 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.162 1.047 10.385 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.943 2.104 8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.695 2.582 9.649 1.00 0.00 H new ATOM 1159 N ASN A 74 8.027 -6.106 5.579 1.00 0.00 N ATOM 1160 CA ASN A 74 8.218 -7.541 5.759 1.00 0.00 C ATOM 1161 C ASN A 74 9.361 -8.051 4.887 1.00 0.00 C ATOM 1162 O ASN A 74 9.563 -9.258 4.752 1.00 0.00 O ATOM 1163 CB ASN A 74 6.930 -8.294 5.423 1.00 0.00 C ATOM 1164 CG ASN A 74 6.960 -9.734 5.899 1.00 0.00 C ATOM 1165 OD1 ASN A 74 7.905 -10.159 6.564 1.00 0.00 O ATOM 1166 ND2 ASN A 74 5.925 -10.492 5.558 1.00 0.00 N ATOM 0 H ASN A 74 7.242 -5.857 4.978 1.00 0.00 H new ATOM 0 HA ASN A 74 8.474 -7.720 6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.083 -7.781 5.879 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.772 -8.274 4.345 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.891 -11.469 5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.164 -10.097 5.006 1.00 0.00 H new ATOM 1173 N LYS A 75 10.107 -7.124 4.296 1.00 0.00 N ATOM 1174 CA LYS A 75 11.231 -7.477 3.438 1.00 0.00 C ATOM 1175 C LYS A 75 12.518 -6.821 3.929 1.00 0.00 C ATOM 1176 O LYS A 75 13.610 -7.362 3.749 1.00 0.00 O ATOM 1177 CB LYS A 75 10.950 -7.056 1.994 1.00 0.00 C ATOM 1178 CG LYS A 75 10.259 -8.128 1.171 1.00 0.00 C ATOM 1179 CD LYS A 75 8.875 -8.443 1.713 1.00 0.00 C ATOM 1180 CE LYS A 75 8.004 -9.117 0.664 1.00 0.00 C ATOM 1181 NZ LYS A 75 8.315 -10.568 0.534 1.00 0.00 N ATOM 0 H LYS A 75 9.953 -6.121 4.396 1.00 0.00 H new ATOM 0 HA LYS A 75 11.358 -8.559 3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.331 -6.159 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.891 -6.790 1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.178 -7.797 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.865 -9.034 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.964 -9.091 2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.396 -7.523 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.954 -8.993 0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.150 -8.627 -0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.700 -10.991 -0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.310 -10.686 0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.152 -11.041 1.446 1.00 0.00 H new ATOM 1195 N VAL A 76 12.382 -5.654 4.550 1.00 0.00 N ATOM 1196 CA VAL A 76 13.533 -4.926 5.070 1.00 0.00 C ATOM 1197 C VAL A 76 14.527 -5.871 5.736 1.00 0.00 C ATOM 1198 O VAL A 76 15.734 -5.771 5.522 1.00 0.00 O ATOM 1199 CB VAL A 76 13.106 -3.849 6.085 1.00 0.00 C ATOM 1200 CG1 VAL A 76 14.320 -3.274 6.797 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.312 -2.751 5.393 1.00 0.00 C ATOM 0 H VAL A 76 11.486 -5.192 4.705 1.00 0.00 H new ATOM 0 HA VAL A 76 14.011 -4.442 4.218 1.00 0.00 H new ATOM 0 HB VAL A 76 12.464 -4.314 6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.998 -2.515 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.842 -4.071 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.991 -2.824 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.018 -1.998 6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.928 -2.287 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.420 -3.180 4.936 1.00 0.00 H new ATOM 1211 N ALA A 77 14.009 -6.789 6.546 1.00 0.00 N ATOM 1212 CA ALA A 77 14.850 -7.755 7.242 1.00 0.00 C ATOM 1213 C ALA A 77 15.958 -8.276 6.332 1.00 0.00 C ATOM 1214 O ALA A 77 17.140 -8.159 6.650 1.00 0.00 O ATOM 1215 CB ALA A 77 14.007 -8.909 7.765 1.00 0.00 C ATOM 0 H ALA A 77 13.011 -6.884 6.736 1.00 0.00 H new ATOM 0 HA ALA A 77 15.318 -7.249 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.648 -9.623 8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.257 -8.527 8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.512 -9.405 6.930 1.00 0.00 H new ATOM 1221 N GLU A 78 15.565 -8.851 5.200 1.00 0.00 N ATOM 1222 CA GLU A 78 16.526 -9.391 4.245 1.00 0.00 C ATOM 1223 C GLU A 78 17.564 -8.339 3.864 1.00 0.00 C ATOM 1224 O GLU A 78 18.753 -8.637 3.746 1.00 0.00 O ATOM 1225 CB GLU A 78 15.807 -9.891 2.991 1.00 0.00 C ATOM 1226 CG GLU A 78 14.903 -11.086 3.244 1.00 0.00 C ATOM 1227 CD GLU A 78 14.216 -11.575 1.983 1.00 0.00 C ATOM 1228 OE1 GLU A 78 14.861 -11.564 0.914 1.00 0.00 O ATOM 1229 OE2 GLU A 78 13.033 -11.967 2.066 1.00 0.00 O ATOM 0 H GLU A 78 14.589 -8.955 4.922 1.00 0.00 H new ATOM 0 HA GLU A 78 17.039 -10.228 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.212 -9.078 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.549 -10.160 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.491 -11.898 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.149 -10.816 3.983 1.00 0.00 H new ATOM 1236 N HIS A 79 17.105 -7.106 3.672 1.00 0.00 N ATOM 1237 CA HIS A 79 17.993 -6.009 3.304 1.00 0.00 C ATOM 1238 C HIS A 79 18.991 -5.720 4.421 1.00 0.00 C ATOM 1239 O HIS A 79 20.193 -5.600 4.178 1.00 0.00 O ATOM 1240 CB HIS A 79 17.182 -4.751 2.991 1.00 0.00 C ATOM 1241 CG HIS A 79 18.000 -3.497 2.982 1.00 0.00 C ATOM 1242 ND1 HIS A 79 19.047 -3.288 2.110 1.00 0.00 N ATOM 1243 CD2 HIS A 79 17.920 -2.382 3.745 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.576 -2.099 2.337 1.00 0.00 C ATOM 1245 NE2 HIS A 79 18.910 -1.528 3.325 1.00 0.00 N ATOM 0 H HIS A 79 16.124 -6.842 3.765 1.00 0.00 H new ATOM 0 HA HIS A 79 18.547 -6.306 2.413 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.704 -4.870 2.019 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.385 -4.650 3.728 1.00 0.00 H new ATOM 0 HD1 HIS A 79 19.364 -3.948 1.400 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.209 -2.198 4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.411 -1.667 1.805 1.00 0.00 H new ATOM 1253 N LEU A 80 18.487 -5.607 5.645 1.00 0.00 N ATOM 1254 CA LEU A 80 19.334 -5.331 6.800 1.00 0.00 C ATOM 1255 C LEU A 80 20.576 -6.216 6.787 1.00 0.00 C ATOM 1256 O LEU A 80 21.656 -5.791 7.195 1.00 0.00 O ATOM 1257 CB LEU A 80 18.551 -5.550 8.095 1.00 0.00 C ATOM 1258 CG LEU A 80 17.534 -4.467 8.456 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.656 -4.922 9.612 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.241 -3.165 8.801 1.00 0.00 C ATOM 0 H LEU A 80 17.495 -5.702 5.863 1.00 0.00 H new ATOM 0 HA LEU A 80 19.652 -4.290 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.027 -6.503 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.263 -5.640 8.916 1.00 0.00 H new ATOM 0 HG LEU A 80 16.896 -4.292 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.939 -4.138 9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.121 -5.828 9.328 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.278 -5.126 10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.501 -2.406 9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.904 -3.325 9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.825 -2.830 7.944 1.00 0.00 H new ATOM 1272 N GLU A 81 20.414 -7.448 6.315 1.00 0.00 N ATOM 1273 CA GLU A 81 21.524 -8.392 6.249 1.00 0.00 C ATOM 1274 C GLU A 81 22.659 -7.838 5.392 1.00 0.00 C ATOM 1275 O GLU A 81 23.824 -7.880 5.785 1.00 0.00 O ATOM 1276 CB GLU A 81 21.050 -9.732 5.682 1.00 0.00 C ATOM 1277 CG GLU A 81 19.986 -10.409 6.530 1.00 0.00 C ATOM 1278 CD GLU A 81 19.989 -11.918 6.374 1.00 0.00 C ATOM 1279 OE1 GLU A 81 20.707 -12.592 7.142 1.00 0.00 O ATOM 1280 OE2 GLU A 81 19.273 -12.423 5.484 1.00 0.00 O ATOM 0 H GLU A 81 19.526 -7.816 5.973 1.00 0.00 H new ATOM 0 HA GLU A 81 21.897 -8.546 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.656 -9.573 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 81 21.906 -10.400 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 81 20.146 -10.155 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.005 -10.021 6.254 1.00 0.00 H new ATOM 1287 N MET A 82 22.308 -7.320 4.220 1.00 0.00 N ATOM 1288 CA MET A 82 23.297 -6.757 3.308 1.00 0.00 C ATOM 1289 C MET A 82 23.179 -5.237 3.248 1.00 0.00 C ATOM 1290 O MET A 82 23.557 -4.613 2.256 1.00 0.00 O ATOM 1291 CB MET A 82 23.125 -7.348 1.907 1.00 0.00 C ATOM 1292 CG MET A 82 21.819 -6.954 1.237 1.00 0.00 C ATOM 1293 SD MET A 82 21.941 -6.932 -0.562 1.00 0.00 S ATOM 1294 CE MET A 82 20.895 -5.532 -0.955 1.00 0.00 C ATOM 0 H MET A 82 21.347 -7.278 3.879 1.00 0.00 H new ATOM 0 HA MET A 82 24.288 -7.013 3.684 1.00 0.00 H new ATOM 0 HB2 MET A 82 23.957 -7.025 1.281 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.177 -8.435 1.971 1.00 0.00 H new ATOM 0 HG2 MET A 82 21.037 -7.652 1.536 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.518 -5.967 1.589 1.00 0.00 H new ATOM 0 HE1 MET A 82 20.869 -5.389 -2.035 1.00 0.00 H new ATOM 0 HE2 MET A 82 19.885 -5.718 -0.589 1.00 0.00 H new ATOM 0 HE3 MET A 82 21.294 -4.635 -0.480 1.00 0.00 H new ATOM 1304 N CYS A 83 22.652 -4.647 4.316 1.00 0.00 N ATOM 1305 CA CYS A 83 22.484 -3.200 4.386 1.00 0.00 C ATOM 1306 C CYS A 83 23.763 -2.526 4.874 1.00 0.00 C ATOM 1307 O CYS A 83 24.421 -2.990 5.806 1.00 0.00 O ATOM 1308 CB CYS A 83 21.320 -2.846 5.314 1.00 0.00 C ATOM 1309 SG CYS A 83 21.306 -1.107 5.858 1.00 0.00 S ATOM 0 H CYS A 83 22.334 -5.149 5.145 1.00 0.00 H new ATOM 0 HA CYS A 83 22.264 -2.835 3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.382 -3.063 4.802 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.361 -3.490 6.192 1.00 0.00 H new ATOM 1314 N PRO A 84 24.123 -1.406 4.232 1.00 0.00 N ATOM 1315 CA PRO A 84 25.325 -0.643 4.584 1.00 0.00 C ATOM 1316 C PRO A 84 25.193 0.056 5.933 1.00 0.00 C ATOM 1317 O PRO A 84 26.088 -0.026 6.774 1.00 0.00 O ATOM 1318 CB PRO A 84 25.434 0.386 3.456 1.00 0.00 C ATOM 1319 CG PRO A 84 24.041 0.548 2.954 1.00 0.00 C ATOM 1320 CD PRO A 84 23.385 -0.796 3.113 1.00 0.00 C ATOM 0 HA PRO A 84 26.201 -1.284 4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 84 25.836 1.331 3.820 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.101 0.039 2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.508 1.312 3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.036 0.864 1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.323 -0.701 3.337 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.467 -1.393 2.205 1.00 0.00 H new ATOM 1328 N ALA A 85 24.073 0.742 6.132 1.00 0.00 N ATOM 1329 CA ALA A 85 23.824 1.453 7.380 1.00 0.00 C ATOM 1330 C ALA A 85 23.858 0.500 8.570 1.00 0.00 C ATOM 1331 O ALA A 85 24.187 0.899 9.687 1.00 0.00 O ATOM 1332 CB ALA A 85 22.487 2.176 7.318 1.00 0.00 C ATOM 0 H ALA A 85 23.323 0.821 5.445 1.00 0.00 H new ATOM 0 HA ALA A 85 24.616 2.189 7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.314 2.703 8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.499 2.893 6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.689 1.452 7.156 1.00 0.00 H new ATOM 1338 N SER A 86 23.514 -0.760 8.324 1.00 0.00 N ATOM 1339 CA SER A 86 23.501 -1.768 9.377 1.00 0.00 C ATOM 1340 C SER A 86 24.890 -1.935 9.987 1.00 0.00 C ATOM 1341 O SER A 86 25.041 -2.504 11.068 1.00 0.00 O ATOM 1342 CB SER A 86 23.010 -3.107 8.824 1.00 0.00 C ATOM 1343 OG SER A 86 24.041 -3.777 8.118 1.00 0.00 O ATOM 0 H SER A 86 23.241 -1.107 7.405 1.00 0.00 H new ATOM 0 HA SER A 86 22.818 -1.433 10.158 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.658 -3.735 9.643 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.160 -2.941 8.162 1.00 0.00 H new ATOM 0 HG SER A 86 23.833 -3.780 7.160 1.00 0.00 H new ATOM 1349 N VAL A 87 25.901 -1.435 9.284 1.00 0.00 N ATOM 1350 CA VAL A 87 27.278 -1.527 9.755 1.00 0.00 C ATOM 1351 C VAL A 87 27.499 -2.801 10.563 1.00 0.00 C ATOM 1352 O VAL A 87 28.120 -2.775 11.625 1.00 0.00 O ATOM 1353 CB VAL A 87 27.658 -0.311 10.621 1.00 0.00 C ATOM 1354 CG1 VAL A 87 27.441 0.982 9.851 1.00 0.00 C ATOM 1355 CG2 VAL A 87 26.860 -0.310 11.916 1.00 0.00 C ATOM 0 H VAL A 87 25.793 -0.962 8.387 1.00 0.00 H new ATOM 0 HA VAL A 87 27.914 -1.546 8.870 1.00 0.00 H new ATOM 0 HB VAL A 87 28.716 -0.382 10.873 1.00 0.00 H new ATOM 0 HG11 VAL A 87 27.715 1.830 10.479 1.00 0.00 H new ATOM 0 HG12 VAL A 87 28.060 0.980 8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 87 26.392 1.065 9.567 1.00 0.00 H new ATOM 0 HG21 VAL A 87 27.141 0.556 12.516 1.00 0.00 H new ATOM 0 HG22 VAL A 87 25.795 -0.263 11.687 1.00 0.00 H new ATOM 0 HG23 VAL A 87 27.071 -1.222 12.474 1.00 0.00 H new ATOM 1365 N SER A 88 26.985 -3.916 10.052 1.00 0.00 N ATOM 1366 CA SER A 88 27.123 -5.201 10.728 1.00 0.00 C ATOM 1367 C SER A 88 27.597 -6.277 9.756 1.00 0.00 C ATOM 1368 O SER A 88 28.557 -6.996 10.029 1.00 0.00 O ATOM 1369 CB SER A 88 25.791 -5.615 11.356 1.00 0.00 C ATOM 1370 OG SER A 88 25.584 -4.957 12.594 1.00 0.00 O ATOM 0 H SER A 88 26.470 -3.955 9.173 1.00 0.00 H new ATOM 0 HA SER A 88 27.869 -5.093 11.515 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.975 -5.378 10.674 1.00 0.00 H new ATOM 0 HB3 SER A 88 25.777 -6.694 11.507 1.00 0.00 H new ATOM 0 HG SER A 88 25.362 -4.016 12.431 1.00 0.00 H new ATOM 1376 N GLY A 89 26.914 -6.382 8.620 1.00 0.00 N ATOM 1377 CA GLY A 89 27.279 -7.373 7.624 1.00 0.00 C ATOM 1378 C GLY A 89 28.772 -7.412 7.365 1.00 0.00 C ATOM 1379 O GLY A 89 29.403 -6.391 7.093 1.00 0.00 O ATOM 0 H GLY A 89 26.115 -5.799 8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 89 26.945 -8.356 7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 89 26.757 -7.156 6.692 1.00 0.00 H new ATOM 1383 N PRO A 90 29.360 -8.615 7.451 1.00 0.00 N ATOM 1384 CA PRO A 90 30.796 -8.811 7.229 1.00 0.00 C ATOM 1385 C PRO A 90 31.188 -8.615 5.768 1.00 0.00 C ATOM 1386 O PRO A 90 32.371 -8.623 5.427 1.00 0.00 O ATOM 1387 CB PRO A 90 31.024 -10.264 7.653 1.00 0.00 C ATOM 1388 CG PRO A 90 29.702 -10.925 7.470 1.00 0.00 C ATOM 1389 CD PRO A 90 28.669 -9.875 7.772 1.00 0.00 C ATOM 0 HA PRO A 90 31.397 -8.091 7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 90 31.792 -10.739 7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 90 31.358 -10.326 8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 90 29.591 -11.301 6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 90 29.597 -11.779 8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 90 27.772 -10.007 7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 90 28.356 -9.907 8.816 1.00 0.00 H new ATOM 1397 N SER A 91 30.188 -8.439 4.910 1.00 0.00 N ATOM 1398 CA SER A 91 30.429 -8.244 3.485 1.00 0.00 C ATOM 1399 C SER A 91 30.090 -6.816 3.067 1.00 0.00 C ATOM 1400 O SER A 91 29.219 -6.176 3.655 1.00 0.00 O ATOM 1401 CB SER A 91 29.603 -9.237 2.666 1.00 0.00 C ATOM 1402 OG SER A 91 30.213 -9.497 1.414 1.00 0.00 O ATOM 0 H SER A 91 29.204 -8.427 5.177 1.00 0.00 H new ATOM 0 HA SER A 91 31.488 -8.418 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 91 29.493 -10.169 3.221 1.00 0.00 H new ATOM 0 HB3 SER A 91 28.600 -8.839 2.510 1.00 0.00 H new ATOM 0 HG SER A 91 29.667 -10.136 0.910 1.00 0.00 H new ATOM 1408 N SER A 92 30.787 -6.324 2.048 1.00 0.00 N ATOM 1409 CA SER A 92 30.563 -4.970 1.553 1.00 0.00 C ATOM 1410 C SER A 92 29.854 -4.996 0.203 1.00 0.00 C ATOM 1411 O SER A 92 28.801 -4.383 0.030 1.00 0.00 O ATOM 1412 CB SER A 92 31.893 -4.224 1.428 1.00 0.00 C ATOM 1413 OG SER A 92 32.231 -3.579 2.644 1.00 0.00 O ATOM 0 H SER A 92 31.511 -6.842 1.549 1.00 0.00 H new ATOM 0 HA SER A 92 29.927 -4.448 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 92 32.682 -4.924 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.827 -3.487 0.628 1.00 0.00 H new ATOM 0 HG SER A 92 33.085 -3.111 2.539 1.00 0.00 H new ATOM 1419 N GLY A 93 30.439 -5.711 -0.753 1.00 0.00 N ATOM 1420 CA GLY A 93 29.850 -5.805 -2.076 1.00 0.00 C ATOM 1421 C GLY A 93 30.288 -4.675 -2.987 1.00 0.00 C ATOM 1422 O GLY A 93 30.126 -4.752 -4.204 1.00 0.00 O ATOM 0 H GLY A 93 31.311 -6.227 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 93 30.126 -6.758 -2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 93 28.764 -5.797 -1.988 1.00 0.00 H new TER 1426 GLY A 93 HETATM 1427 ZN ZN A 401 -15.642 3.012 3.868 1.00 0.00 ZN HETATM 1428 ZN ZN A 501 -17.419 -3.201 7.205 1.00 0.00 ZN HETATM 1429 ZN ZN A 601 -2.066 -4.469 3.009 1.00 0.00 ZN HETATM 1430 ZN ZN A 701 19.624 -0.100 4.615 1.00 0.00 ZN