USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1023 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 107 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= -0.124 K(o=-0.12,f=-3.3!) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0.161 USER MOD Set 2.2: A 40 THR OG1 : rot 180:sc= 0.118 USER MOD Set 3.1: A 20 GLN : amide:sc= -2.45 K(o=-3.7,f=-6.8!) USER MOD Set 3.2: A 78 GLN : amide:sc= -1.27 K(o=-3.7,f=-8.5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0488 X(o=-0.049,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= -0.0076 (180deg=-0.227) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.68! C(o=-1.7!,f=-3.1!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 74:sc= 0.239 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0305) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00298 USER MOD Single : A 28 THR OG1 : rot -83:sc= 0.261 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -108:sc= -2.1! (180deg=-5.02!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 150:sc= -0.69 USER MOD Single : A 50 THR OG1 : rot -150:sc= -0.572 USER MOD Single : A 54 GLN : amide:sc= -0.288 K(o=-0.29,f=-3.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -62:sc= -1.31! USER MOD Single : A 58 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.0021) USER MOD Single : A 59 HIS : no HD1:sc= -24.1! C(o=-24!,f=-42!) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0348) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0828 USER MOD Single : A 69 THR OG1 : rot -71:sc= -1.2! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -2.94! C(o=-2.9!,f=-5.8!) USER MOD Single : A 74 HIS : no HD1:sc= -0.0474 X(o=-0.047,f=-0.14) USER MOD Single : A 76 HIS : no HD1:sc= -11.2! C(o=-11!,f=-8.9!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 138:sc= -0.171 (180deg=-1.21) USER MOD Single : A 89 ASN : amide:sc= -0.131 K(o=-0.13,f=-2) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -65:sc= 0.564 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.261 K(o=0.26,f=-2.8!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 160:sc= -0.901 USER MOD Single : A 117 LYS NZ :NH3+ 164:sc= -0.0437 (180deg=-0.465) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -134:sc= -7.16! (180deg=-15.9!) USER MOD Single : A 123 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.971) USER MOD Single : A 124 TYR OH : rot -176:sc= -6.34! USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 13.468 4.347 -26.754 1.00 0.00 N ATOM 53 CA ASP A 4 12.768 5.553 -27.272 1.00 0.00 C ATOM 54 C ASP A 4 13.478 6.819 -26.789 1.00 0.00 C ATOM 55 O ASP A 4 14.338 6.782 -25.932 1.00 0.00 O ATOM 56 CB ASP A 4 11.328 5.562 -26.764 1.00 0.00 C ATOM 57 CG ASP A 4 10.813 4.124 -26.659 1.00 0.00 C ATOM 58 OD1 ASP A 4 11.013 3.374 -27.599 1.00 0.00 O ATOM 59 OD2 ASP A 4 10.228 3.799 -25.639 1.00 0.00 O ATOM 0 HA ASP A 4 12.777 5.528 -28.362 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.278 6.049 -25.790 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.696 6.137 -27.441 1.00 0.00 H new ATOM 64 N ILE A 5 13.116 7.942 -27.343 1.00 0.00 N ATOM 65 CA ILE A 5 13.750 9.228 -26.934 1.00 0.00 C ATOM 66 C ILE A 5 13.292 9.616 -25.522 1.00 0.00 C ATOM 67 O ILE A 5 13.999 10.286 -24.796 1.00 0.00 O ATOM 68 CB ILE A 5 13.349 10.327 -27.920 1.00 0.00 C ATOM 69 CG1 ILE A 5 14.088 10.116 -29.244 1.00 0.00 C ATOM 70 CG2 ILE A 5 13.722 11.696 -27.346 1.00 0.00 C ATOM 71 CD1 ILE A 5 15.594 10.051 -28.980 1.00 0.00 C ATOM 0 H ILE A 5 12.403 8.026 -28.067 1.00 0.00 H new ATOM 0 HA ILE A 5 14.833 9.109 -26.936 1.00 0.00 H new ATOM 0 HB ILE A 5 12.273 10.285 -28.088 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.751 9.195 -29.719 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.863 10.930 -29.933 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.435 12.476 -28.051 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.199 11.849 -26.402 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.798 11.738 -27.176 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.122 9.901 -29.922 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.924 10.984 -28.524 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.810 9.222 -28.307 1.00 0.00 H new ATOM 83 N THR A 6 12.107 9.225 -25.136 1.00 0.00 N ATOM 84 CA THR A 6 11.601 9.596 -23.784 1.00 0.00 C ATOM 85 C THR A 6 12.644 9.254 -22.720 1.00 0.00 C ATOM 86 O THR A 6 12.979 10.071 -21.884 1.00 0.00 O ATOM 87 CB THR A 6 10.308 8.820 -23.500 1.00 0.00 C ATOM 88 OG1 THR A 6 9.245 9.388 -24.252 1.00 0.00 O ATOM 89 CG2 THR A 6 9.974 8.891 -22.007 1.00 0.00 C ATOM 0 H THR A 6 11.468 8.664 -25.699 1.00 0.00 H new ATOM 0 HA THR A 6 11.405 10.668 -23.756 1.00 0.00 H new ATOM 0 HB THR A 6 10.444 7.777 -23.785 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.418 8.893 -24.074 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.055 8.338 -21.813 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.789 8.454 -21.431 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.840 9.932 -21.713 1.00 0.00 H new ATOM 97 N LEU A 7 13.146 8.054 -22.726 1.00 0.00 N ATOM 98 CA LEU A 7 14.145 7.676 -21.695 1.00 0.00 C ATOM 99 C LEU A 7 15.447 8.455 -21.891 1.00 0.00 C ATOM 100 O LEU A 7 15.946 9.068 -20.969 1.00 0.00 O ATOM 101 CB LEU A 7 14.431 6.162 -21.718 1.00 0.00 C ATOM 102 CG LEU A 7 14.593 5.570 -23.130 1.00 0.00 C ATOM 103 CD1 LEU A 7 15.395 4.272 -23.018 1.00 0.00 C ATOM 104 CD2 LEU A 7 13.219 5.242 -23.724 1.00 0.00 C ATOM 0 H LEU A 7 12.909 7.323 -23.396 1.00 0.00 H new ATOM 0 HA LEU A 7 13.723 7.930 -20.723 1.00 0.00 H new ATOM 0 HB2 LEU A 7 15.340 5.967 -21.148 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.618 5.643 -21.210 1.00 0.00 H new ATOM 0 HG LEU A 7 15.101 6.291 -23.771 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.521 3.836 -24.009 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.374 4.485 -22.588 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.862 3.569 -22.377 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.345 4.824 -24.723 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.712 4.517 -23.088 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.622 6.152 -23.784 1.00 0.00 H new ATOM 116 N GLN A 8 15.999 8.459 -23.069 1.00 0.00 N ATOM 117 CA GLN A 8 17.261 9.223 -23.278 1.00 0.00 C ATOM 118 C GLN A 8 17.083 10.624 -22.707 1.00 0.00 C ATOM 119 O GLN A 8 18.014 11.259 -22.256 1.00 0.00 O ATOM 120 CB GLN A 8 17.574 9.308 -24.774 1.00 0.00 C ATOM 121 CG GLN A 8 18.003 7.932 -25.284 1.00 0.00 C ATOM 122 CD GLN A 8 19.225 8.081 -26.192 1.00 0.00 C ATOM 123 OE1 GLN A 8 20.197 7.367 -26.045 1.00 0.00 O ATOM 124 NE2 GLN A 8 19.217 8.985 -27.134 1.00 0.00 N ATOM 0 H GLN A 8 15.638 7.973 -23.890 1.00 0.00 H new ATOM 0 HA GLN A 8 18.087 8.720 -22.775 1.00 0.00 H new ATOM 0 HB2 GLN A 8 16.697 9.653 -25.321 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.366 10.036 -24.950 1.00 0.00 H new ATOM 0 HG2 GLN A 8 18.239 7.279 -24.444 1.00 0.00 H new ATOM 0 HG3 GLN A 8 17.185 7.464 -25.832 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.401 9.585 -27.258 1.00 0.00 H new ATOM 0 HE22 GLN A 8 20.026 9.091 -27.746 1.00 0.00 H new ATOM 133 N GLU A 9 15.879 11.094 -22.726 1.00 0.00 N ATOM 134 CA GLU A 9 15.576 12.451 -22.189 1.00 0.00 C ATOM 135 C GLU A 9 15.695 12.452 -20.659 1.00 0.00 C ATOM 136 O GLU A 9 16.230 13.371 -20.073 1.00 0.00 O ATOM 137 CB GLU A 9 14.153 12.848 -22.587 1.00 0.00 C ATOM 138 CG GLU A 9 14.173 13.491 -23.976 1.00 0.00 C ATOM 139 CD GLU A 9 12.798 13.340 -24.629 1.00 0.00 C ATOM 140 OE1 GLU A 9 12.421 12.214 -24.914 1.00 0.00 O ATOM 141 OE2 GLU A 9 12.147 14.350 -24.833 1.00 0.00 O ATOM 0 H GLU A 9 15.072 10.592 -23.096 1.00 0.00 H new ATOM 0 HA GLU A 9 16.289 13.165 -22.602 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.506 11.970 -22.590 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.741 13.545 -21.858 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.435 14.546 -23.896 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.935 13.019 -24.596 1.00 0.00 H new ATOM 148 N ILE A 10 15.180 11.441 -20.008 1.00 0.00 N ATOM 149 CA ILE A 10 15.246 11.396 -18.520 1.00 0.00 C ATOM 150 C ILE A 10 16.693 11.559 -18.038 1.00 0.00 C ATOM 151 O ILE A 10 16.965 12.334 -17.156 1.00 0.00 O ATOM 152 CB ILE A 10 14.646 10.061 -18.033 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.705 10.331 -16.859 1.00 0.00 C ATOM 154 CG2 ILE A 10 15.741 9.082 -17.581 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.277 9.953 -17.261 1.00 0.00 C ATOM 0 H ILE A 10 14.716 10.644 -20.445 1.00 0.00 H new ATOM 0 HA ILE A 10 14.669 12.221 -18.103 1.00 0.00 H new ATOM 0 HB ILE A 10 14.105 9.610 -18.865 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.015 9.753 -15.988 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.750 11.383 -16.576 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.282 8.153 -17.244 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.411 8.874 -18.416 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.308 9.524 -16.762 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.602 10.144 -16.427 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.971 10.550 -18.120 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.241 8.896 -17.523 1.00 0.00 H new ATOM 167 N ILE A 11 17.622 10.831 -18.595 1.00 0.00 N ATOM 168 CA ILE A 11 19.032 10.962 -18.124 1.00 0.00 C ATOM 169 C ILE A 11 19.424 12.438 -18.078 1.00 0.00 C ATOM 170 O ILE A 11 20.239 12.841 -17.277 1.00 0.00 O ATOM 171 CB ILE A 11 19.972 10.182 -19.055 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.968 8.707 -18.646 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.398 10.731 -18.937 1.00 0.00 C ATOM 174 CD1 ILE A 11 21.027 7.945 -19.447 1.00 0.00 C ATOM 0 H ILE A 11 17.470 10.159 -19.347 1.00 0.00 H new ATOM 0 HA ILE A 11 19.118 10.545 -17.121 1.00 0.00 H new ATOM 0 HB ILE A 11 19.630 10.288 -20.085 1.00 0.00 H new ATOM 0 HG12 ILE A 11 20.170 8.615 -17.579 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.984 8.274 -18.822 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.059 10.173 -19.600 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.407 11.784 -19.218 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.744 10.627 -17.909 1.00 0.00 H new ATOM 0 HD11 ILE A 11 21.021 6.896 -19.153 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.805 8.025 -20.511 1.00 0.00 H new ATOM 0 HD13 ILE A 11 22.010 8.372 -19.248 1.00 0.00 H new ATOM 186 N LYS A 12 18.855 13.249 -18.917 1.00 0.00 N ATOM 187 CA LYS A 12 19.207 14.694 -18.885 1.00 0.00 C ATOM 188 C LYS A 12 18.789 15.275 -17.529 1.00 0.00 C ATOM 189 O LYS A 12 19.547 15.968 -16.879 1.00 0.00 O ATOM 190 CB LYS A 12 18.470 15.428 -20.006 1.00 0.00 C ATOM 191 CG LYS A 12 19.029 16.847 -20.138 1.00 0.00 C ATOM 192 CD LYS A 12 18.033 17.719 -20.907 1.00 0.00 C ATOM 193 CE LYS A 12 18.778 18.528 -21.970 1.00 0.00 C ATOM 194 NZ LYS A 12 19.780 19.412 -21.310 1.00 0.00 N ATOM 0 H LYS A 12 18.166 12.980 -19.620 1.00 0.00 H new ATOM 0 HA LYS A 12 20.281 14.816 -19.026 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.588 14.890 -20.947 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.402 15.465 -19.791 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.212 17.270 -19.150 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.987 16.825 -20.658 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.273 17.094 -21.376 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.515 18.389 -20.221 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.275 17.857 -22.671 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.073 19.127 -22.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.040 20.184 -21.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.372 19.811 -20.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.628 18.859 -21.073 1.00 0.00 H new ATOM 208 N THR A 13 17.585 14.999 -17.103 1.00 0.00 N ATOM 209 CA THR A 13 17.102 15.530 -15.796 1.00 0.00 C ATOM 210 C THR A 13 17.822 14.832 -14.633 1.00 0.00 C ATOM 211 O THR A 13 18.340 15.471 -13.738 1.00 0.00 O ATOM 212 CB THR A 13 15.591 15.285 -15.692 1.00 0.00 C ATOM 213 OG1 THR A 13 14.908 16.217 -16.520 1.00 0.00 O ATOM 214 CG2 THR A 13 15.132 15.459 -14.242 1.00 0.00 C ATOM 0 H THR A 13 16.911 14.424 -17.609 1.00 0.00 H new ATOM 0 HA THR A 13 17.313 16.598 -15.739 1.00 0.00 H new ATOM 0 HB THR A 13 15.367 14.269 -16.017 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.942 16.063 -16.458 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.058 15.283 -14.177 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.656 14.745 -13.606 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.355 16.473 -13.909 1.00 0.00 H new ATOM 222 N LEU A 14 17.853 13.530 -14.639 1.00 0.00 N ATOM 223 CA LEU A 14 18.526 12.783 -13.543 1.00 0.00 C ATOM 224 C LEU A 14 19.991 13.210 -13.460 1.00 0.00 C ATOM 225 O LEU A 14 20.603 13.183 -12.411 1.00 0.00 O ATOM 226 CB LEU A 14 18.430 11.286 -13.854 1.00 0.00 C ATOM 227 CG LEU A 14 19.370 10.493 -12.946 1.00 0.00 C ATOM 228 CD1 LEU A 14 18.976 10.712 -11.484 1.00 0.00 C ATOM 229 CD2 LEU A 14 19.252 9.006 -13.291 1.00 0.00 C ATOM 0 H LEU A 14 17.436 12.946 -15.364 1.00 0.00 H new ATOM 0 HA LEU A 14 18.047 12.994 -12.587 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.405 10.944 -13.714 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.686 11.108 -14.898 1.00 0.00 H new ATOM 0 HG LEU A 14 20.397 10.828 -13.093 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.647 10.146 -10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.048 11.772 -11.243 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.952 10.374 -11.329 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.918 8.430 -12.649 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.225 8.677 -13.136 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.529 8.851 -14.334 1.00 0.00 H new ATOM 241 N ASN A 15 20.554 13.603 -14.566 1.00 0.00 N ATOM 242 CA ASN A 15 21.979 14.036 -14.576 1.00 0.00 C ATOM 243 C ASN A 15 22.121 15.390 -13.851 1.00 0.00 C ATOM 244 O ASN A 15 22.969 15.546 -12.998 1.00 0.00 O ATOM 245 CB ASN A 15 22.447 14.189 -16.025 1.00 0.00 C ATOM 246 CG ASN A 15 23.912 14.631 -16.045 1.00 0.00 C ATOM 247 OD1 ASN A 15 24.222 15.726 -16.469 1.00 0.00 O ATOM 248 ND2 ASN A 15 24.832 13.819 -15.601 1.00 0.00 N ATOM 0 H ASN A 15 20.085 13.644 -15.471 1.00 0.00 H new ATOM 0 HA ASN A 15 22.587 13.289 -14.065 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.334 13.244 -16.556 1.00 0.00 H new ATOM 0 HB3 ASN A 15 21.828 14.922 -16.543 1.00 0.00 H new ATOM 0 HD21 ASN A 15 25.811 14.104 -15.610 1.00 0.00 H new ATOM 0 HD22 ASN A 15 24.572 12.899 -15.245 1.00 0.00 H new ATOM 255 N SER A 16 21.312 16.385 -14.188 1.00 0.00 N ATOM 256 CA SER A 16 21.450 17.705 -13.508 1.00 0.00 C ATOM 257 C SER A 16 21.448 17.524 -11.989 1.00 0.00 C ATOM 258 O SER A 16 22.304 18.037 -11.295 1.00 0.00 O ATOM 259 CB SER A 16 20.281 18.606 -13.913 1.00 0.00 C ATOM 260 OG SER A 16 20.668 19.966 -13.791 1.00 0.00 O ATOM 0 H SER A 16 20.578 16.330 -14.894 1.00 0.00 H new ATOM 0 HA SER A 16 22.393 18.161 -13.808 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.982 18.393 -14.939 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.416 18.405 -13.280 1.00 0.00 H new ATOM 0 HG SER A 16 19.920 20.544 -14.052 1.00 0.00 H new ATOM 266 N LEU A 17 20.492 16.812 -11.461 1.00 0.00 N ATOM 267 CA LEU A 17 20.439 16.621 -9.982 1.00 0.00 C ATOM 268 C LEU A 17 21.784 16.094 -9.474 1.00 0.00 C ATOM 269 O LEU A 17 22.217 16.427 -8.388 1.00 0.00 O ATOM 270 CB LEU A 17 19.326 15.625 -9.631 1.00 0.00 C ATOM 271 CG LEU A 17 18.020 16.063 -10.302 1.00 0.00 C ATOM 272 CD1 LEU A 17 16.841 15.274 -9.716 1.00 0.00 C ATOM 273 CD2 LEU A 17 17.800 17.558 -10.058 1.00 0.00 C ATOM 0 H LEU A 17 19.747 16.355 -11.986 1.00 0.00 H new ATOM 0 HA LEU A 17 20.230 17.579 -9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.601 14.624 -9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.194 15.577 -8.550 1.00 0.00 H new ATOM 0 HG LEU A 17 18.085 15.870 -11.373 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.916 15.591 -10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.994 14.209 -9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.775 15.461 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.871 17.872 -10.535 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.740 17.747 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.632 18.122 -10.479 1.00 0.00 H new ATOM 285 N THR A 18 22.451 15.273 -10.238 1.00 0.00 N ATOM 286 CA THR A 18 23.763 14.736 -9.778 1.00 0.00 C ATOM 287 C THR A 18 24.802 15.849 -9.779 1.00 0.00 C ATOM 288 O THR A 18 25.539 16.036 -8.831 1.00 0.00 O ATOM 289 CB THR A 18 24.216 13.607 -10.707 1.00 0.00 C ATOM 290 OG1 THR A 18 23.177 12.645 -10.820 1.00 0.00 O ATOM 291 CG2 THR A 18 25.469 12.943 -10.136 1.00 0.00 C ATOM 0 H THR A 18 22.146 14.952 -11.157 1.00 0.00 H new ATOM 0 HA THR A 18 23.655 14.345 -8.766 1.00 0.00 H new ATOM 0 HB THR A 18 24.443 14.016 -11.692 1.00 0.00 H new ATOM 0 HG1 THR A 18 22.463 13.000 -11.390 1.00 0.00 H new ATOM 0 HG21 THR A 18 25.789 12.140 -10.799 1.00 0.00 H new ATOM 0 HG22 THR A 18 26.266 13.682 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 18 25.247 12.533 -9.151 1.00 0.00 H new ATOM 299 N GLU A 19 24.856 16.583 -10.836 1.00 0.00 N ATOM 300 CA GLU A 19 25.836 17.700 -10.931 1.00 0.00 C ATOM 301 C GLU A 19 25.669 18.610 -9.724 1.00 0.00 C ATOM 302 O GLU A 19 26.601 19.234 -9.256 1.00 0.00 O ATOM 303 CB GLU A 19 25.595 18.495 -12.216 1.00 0.00 C ATOM 304 CG GLU A 19 26.548 18.001 -13.307 1.00 0.00 C ATOM 305 CD GLU A 19 25.852 16.927 -14.146 1.00 0.00 C ATOM 306 OE1 GLU A 19 24.813 17.225 -14.712 1.00 0.00 O ATOM 307 OE2 GLU A 19 26.370 15.823 -14.209 1.00 0.00 O ATOM 0 H GLU A 19 24.259 16.463 -11.655 1.00 0.00 H new ATOM 0 HA GLU A 19 26.849 17.298 -10.950 1.00 0.00 H new ATOM 0 HB2 GLU A 19 24.561 18.378 -12.541 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.753 19.558 -12.034 1.00 0.00 H new ATOM 0 HG2 GLU A 19 26.853 18.833 -13.942 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.454 17.595 -12.857 1.00 0.00 H new ATOM 314 N GLN A 20 24.483 18.671 -9.216 1.00 0.00 N ATOM 315 CA GLN A 20 24.218 19.526 -8.022 1.00 0.00 C ATOM 316 C GLN A 20 23.701 18.654 -6.872 1.00 0.00 C ATOM 317 O GLN A 20 22.554 18.259 -6.838 1.00 0.00 O ATOM 318 CB GLN A 20 23.195 20.613 -8.367 1.00 0.00 C ATOM 319 CG GLN A 20 21.986 19.981 -9.043 1.00 0.00 C ATOM 320 CD GLN A 20 20.817 20.965 -9.026 1.00 0.00 C ATOM 321 OE1 GLN A 20 19.672 20.567 -9.109 1.00 0.00 O ATOM 322 NE2 GLN A 20 21.058 22.243 -8.921 1.00 0.00 N ATOM 0 H GLN A 20 23.673 18.165 -9.573 1.00 0.00 H new ATOM 0 HA GLN A 20 25.145 20.010 -7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 20 22.886 21.136 -7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 20 23.646 21.355 -9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.231 19.710 -10.070 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.708 19.061 -8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.019 22.577 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 20 20.285 22.908 -8.909 1.00 0.00 H new ATOM 331 N LYS A 21 24.550 18.347 -5.930 1.00 0.00 N ATOM 332 CA LYS A 21 24.124 17.499 -4.783 1.00 0.00 C ATOM 333 C LYS A 21 25.107 17.706 -3.630 1.00 0.00 C ATOM 334 O LYS A 21 25.872 16.826 -3.284 1.00 0.00 O ATOM 335 CB LYS A 21 24.127 16.028 -5.210 1.00 0.00 C ATOM 336 CG LYS A 21 25.562 15.580 -5.499 1.00 0.00 C ATOM 337 CD LYS A 21 25.954 14.463 -4.529 1.00 0.00 C ATOM 338 CE LYS A 21 27.478 14.362 -4.455 1.00 0.00 C ATOM 339 NZ LYS A 21 28.008 13.867 -5.757 1.00 0.00 N ATOM 0 H LYS A 21 25.524 18.649 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 21 23.119 17.775 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.694 15.410 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 21 23.508 15.895 -6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 21 25.644 15.228 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 21 26.245 16.423 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 21 25.544 14.666 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 21 25.532 13.514 -4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 21 27.907 15.337 -4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 21 27.770 13.686 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 29.025 13.669 -5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 27.509 12.995 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 27.861 14.591 -6.489 1.00 0.00 H new ATOM 353 N THR A 22 25.109 18.871 -3.043 1.00 0.00 N ATOM 354 CA THR A 22 26.059 19.141 -1.928 1.00 0.00 C ATOM 355 C THR A 22 25.390 18.882 -0.576 1.00 0.00 C ATOM 356 O THR A 22 25.694 17.918 0.099 1.00 0.00 O ATOM 357 CB THR A 22 26.521 20.599 -1.998 1.00 0.00 C ATOM 358 OG1 THR A 22 26.567 21.017 -3.356 1.00 0.00 O ATOM 359 CG2 THR A 22 27.913 20.725 -1.376 1.00 0.00 C ATOM 0 H THR A 22 24.494 19.647 -3.287 1.00 0.00 H new ATOM 0 HA THR A 22 26.916 18.474 -2.027 1.00 0.00 H new ATOM 0 HB THR A 22 25.821 21.228 -1.448 1.00 0.00 H new ATOM 0 HG1 THR A 22 26.861 21.951 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 22 28.241 21.763 -1.426 1.00 0.00 H new ATOM 0 HG22 THR A 22 27.876 20.406 -0.334 1.00 0.00 H new ATOM 0 HG23 THR A 22 28.615 20.096 -1.924 1.00 0.00 H new ATOM 367 N LEU A 23 24.503 19.744 -0.154 1.00 0.00 N ATOM 368 CA LEU A 23 23.854 19.546 1.170 1.00 0.00 C ATOM 369 C LEU A 23 22.415 19.044 1.007 1.00 0.00 C ATOM 370 O LEU A 23 21.614 19.135 1.916 1.00 0.00 O ATOM 371 CB LEU A 23 23.852 20.878 1.922 1.00 0.00 C ATOM 372 CG LEU A 23 23.102 20.726 3.247 1.00 0.00 C ATOM 373 CD1 LEU A 23 23.908 21.388 4.367 1.00 0.00 C ATOM 374 CD2 LEU A 23 21.732 21.398 3.138 1.00 0.00 C ATOM 0 H LEU A 23 24.202 20.572 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 23 24.413 18.796 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 23 24.876 21.202 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 23 23.380 21.649 1.313 1.00 0.00 H new ATOM 0 HG LEU A 23 22.970 19.667 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 23 23.375 21.280 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 23 24.884 20.909 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.040 22.447 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 23 21.198 21.290 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 23 21.863 22.457 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 23 21.158 20.927 2.340 1.00 0.00 H new ATOM 386 N CYS A 24 22.072 18.504 -0.129 1.00 0.00 N ATOM 387 CA CYS A 24 20.679 17.998 -0.300 1.00 0.00 C ATOM 388 C CYS A 24 20.688 16.467 -0.321 1.00 0.00 C ATOM 389 O CYS A 24 19.847 15.839 -0.935 1.00 0.00 O ATOM 390 CB CYS A 24 20.078 18.526 -1.600 1.00 0.00 C ATOM 391 SG CYS A 24 18.277 18.611 -1.436 1.00 0.00 S ATOM 0 H CYS A 24 22.685 18.391 -0.937 1.00 0.00 H new ATOM 0 HA CYS A 24 20.072 18.348 0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 24 20.481 19.513 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 24 20.349 17.874 -2.430 1.00 0.00 H new ATOM 396 N THR A 25 21.624 15.864 0.358 1.00 0.00 N ATOM 397 CA THR A 25 21.686 14.378 0.399 1.00 0.00 C ATOM 398 C THR A 25 21.434 13.936 1.842 1.00 0.00 C ATOM 399 O THR A 25 20.963 14.708 2.652 1.00 0.00 O ATOM 400 CB THR A 25 23.073 13.914 -0.053 1.00 0.00 C ATOM 401 OG1 THR A 25 24.056 14.805 0.452 1.00 0.00 O ATOM 402 CG2 THR A 25 23.133 13.897 -1.582 1.00 0.00 C ATOM 0 H THR A 25 22.353 16.341 0.889 1.00 0.00 H new ATOM 0 HA THR A 25 20.938 13.943 -0.264 1.00 0.00 H new ATOM 0 HB THR A 25 23.263 12.910 0.327 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.945 14.508 0.165 1.00 0.00 H new ATOM 0 HG21 THR A 25 24.121 13.567 -1.904 1.00 0.00 H new ATOM 0 HG22 THR A 25 22.378 13.212 -1.968 1.00 0.00 H new ATOM 0 HG23 THR A 25 22.943 14.900 -1.965 1.00 0.00 H new ATOM 410 N GLU A 26 21.738 12.709 2.179 1.00 0.00 N ATOM 411 CA GLU A 26 21.496 12.256 3.581 1.00 0.00 C ATOM 412 C GLU A 26 20.109 12.731 4.010 1.00 0.00 C ATOM 413 O GLU A 26 19.844 12.962 5.173 1.00 0.00 O ATOM 414 CB GLU A 26 22.555 12.858 4.506 1.00 0.00 C ATOM 415 CG GLU A 26 23.741 11.899 4.620 1.00 0.00 C ATOM 416 CD GLU A 26 24.223 11.852 6.071 1.00 0.00 C ATOM 417 OE1 GLU A 26 24.524 12.905 6.609 1.00 0.00 O ATOM 418 OE2 GLU A 26 24.286 10.764 6.619 1.00 0.00 O ATOM 0 H GLU A 26 22.138 12.010 1.553 1.00 0.00 H new ATOM 0 HA GLU A 26 21.554 11.169 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.888 13.820 4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.128 13.044 5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.449 10.902 4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 26 24.550 12.226 3.967 1.00 0.00 H new ATOM 425 N LEU A 27 19.230 12.895 3.062 1.00 0.00 N ATOM 426 CA LEU A 27 17.858 13.371 3.373 1.00 0.00 C ATOM 427 C LEU A 27 16.972 12.185 3.727 1.00 0.00 C ATOM 428 O LEU A 27 15.954 12.313 4.372 1.00 0.00 O ATOM 429 CB LEU A 27 17.329 14.104 2.153 1.00 0.00 C ATOM 430 CG LEU A 27 18.129 15.405 1.976 1.00 0.00 C ATOM 431 CD1 LEU A 27 17.509 16.278 0.882 1.00 0.00 C ATOM 432 CD2 LEU A 27 18.137 16.181 3.294 1.00 0.00 C ATOM 0 H LEU A 27 19.408 12.717 2.074 1.00 0.00 H new ATOM 0 HA LEU A 27 17.865 14.047 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.424 13.478 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.269 14.326 2.275 1.00 0.00 H new ATOM 0 HG LEU A 27 19.148 15.149 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 27 18.091 17.193 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.510 15.733 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.484 16.530 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.704 17.104 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.113 16.420 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.600 15.573 4.071 1.00 0.00 H new ATOM 444 N THR A 28 17.395 11.033 3.320 1.00 0.00 N ATOM 445 CA THR A 28 16.652 9.765 3.620 1.00 0.00 C ATOM 446 C THR A 28 15.503 9.554 2.632 1.00 0.00 C ATOM 447 O THR A 28 14.693 10.427 2.397 1.00 0.00 O ATOM 448 CB THR A 28 16.100 9.794 5.048 1.00 0.00 C ATOM 449 OG1 THR A 28 14.840 10.449 5.068 1.00 0.00 O ATOM 450 CG2 THR A 28 17.085 10.523 5.962 1.00 0.00 C ATOM 0 H THR A 28 18.248 10.901 2.776 1.00 0.00 H new ATOM 0 HA THR A 28 17.354 8.937 3.521 1.00 0.00 H new ATOM 0 HB THR A 28 15.969 8.772 5.404 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.976 11.419 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.692 10.543 6.978 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.043 10.002 5.954 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.224 11.544 5.606 1.00 0.00 H new ATOM 458 N VAL A 29 15.436 8.380 2.063 1.00 0.00 N ATOM 459 CA VAL A 29 14.348 8.064 1.090 1.00 0.00 C ATOM 460 C VAL A 29 14.021 6.575 1.203 1.00 0.00 C ATOM 461 O VAL A 29 14.614 5.855 1.981 1.00 0.00 O ATOM 462 CB VAL A 29 14.796 8.424 -0.352 1.00 0.00 C ATOM 463 CG1 VAL A 29 16.119 9.185 -0.310 1.00 0.00 C ATOM 464 CG2 VAL A 29 14.967 7.174 -1.226 1.00 0.00 C ATOM 0 H VAL A 29 16.094 7.619 2.232 1.00 0.00 H new ATOM 0 HA VAL A 29 13.458 8.652 1.315 1.00 0.00 H new ATOM 0 HB VAL A 29 14.015 9.045 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.428 9.434 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.993 10.101 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.882 8.563 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 29 15.281 7.470 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.723 6.523 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 29 14.019 6.640 -1.286 1.00 0.00 H new ATOM 474 N THR A 30 13.092 6.109 0.426 1.00 0.00 N ATOM 475 CA THR A 30 12.743 4.662 0.485 1.00 0.00 C ATOM 476 C THR A 30 13.660 3.895 -0.471 1.00 0.00 C ATOM 477 O THR A 30 13.437 3.852 -1.664 1.00 0.00 O ATOM 478 CB THR A 30 11.279 4.463 0.083 1.00 0.00 C ATOM 479 OG1 THR A 30 10.438 5.030 1.078 1.00 0.00 O ATOM 480 CG2 THR A 30 10.984 2.969 -0.046 1.00 0.00 C ATOM 0 H THR A 30 12.559 6.661 -0.246 1.00 0.00 H new ATOM 0 HA THR A 30 12.878 4.289 1.500 1.00 0.00 H new ATOM 0 HB THR A 30 11.093 4.951 -0.873 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.500 4.906 0.823 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.942 2.827 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.632 2.535 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.168 2.478 0.910 1.00 0.00 H new ATOM 488 N ASP A 31 14.705 3.307 0.044 1.00 0.00 N ATOM 489 CA ASP A 31 15.656 2.559 -0.829 1.00 0.00 C ATOM 490 C ASP A 31 15.011 1.267 -1.341 1.00 0.00 C ATOM 491 O ASP A 31 14.849 0.311 -0.608 1.00 0.00 O ATOM 492 CB ASP A 31 16.913 2.215 -0.029 1.00 0.00 C ATOM 493 CG ASP A 31 17.776 1.234 -0.826 1.00 0.00 C ATOM 494 OD1 ASP A 31 17.599 1.165 -2.031 1.00 0.00 O ATOM 495 OD2 ASP A 31 18.598 0.570 -0.217 1.00 0.00 O ATOM 0 H ASP A 31 14.943 3.312 1.036 1.00 0.00 H new ATOM 0 HA ASP A 31 15.917 3.184 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.479 3.121 0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.637 1.776 0.930 1.00 0.00 H new ATOM 500 N ILE A 32 14.649 1.231 -2.595 1.00 0.00 N ATOM 501 CA ILE A 32 14.022 -0.003 -3.159 1.00 0.00 C ATOM 502 C ILE A 32 15.093 -0.861 -3.834 1.00 0.00 C ATOM 503 O ILE A 32 14.887 -1.394 -4.906 1.00 0.00 O ATOM 504 CB ILE A 32 12.977 0.396 -4.210 1.00 0.00 C ATOM 505 CG1 ILE A 32 13.687 1.041 -5.405 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.012 1.403 -3.592 1.00 0.00 C ATOM 507 CD1 ILE A 32 13.305 0.305 -6.690 1.00 0.00 C ATOM 0 H ILE A 32 14.759 2.001 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 32 13.550 -0.567 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 32 12.428 -0.485 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.410 2.093 -5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.767 1.005 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.265 1.693 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.516 0.951 -2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.564 2.286 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.812 0.766 -7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.604 -0.740 -6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.226 0.364 -6.836 1.00 0.00 H new ATOM 519 N PHE A 33 16.239 -0.991 -3.229 1.00 0.00 N ATOM 520 CA PHE A 33 17.317 -1.804 -3.859 1.00 0.00 C ATOM 521 C PHE A 33 17.886 -2.818 -2.850 1.00 0.00 C ATOM 522 O PHE A 33 19.053 -3.149 -2.899 1.00 0.00 O ATOM 523 CB PHE A 33 18.430 -0.864 -4.324 1.00 0.00 C ATOM 524 CG PHE A 33 17.855 0.141 -5.295 1.00 0.00 C ATOM 525 CD1 PHE A 33 17.408 -0.281 -6.554 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.764 1.491 -4.937 1.00 0.00 C ATOM 527 CE1 PHE A 33 16.873 0.646 -7.455 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.227 2.420 -5.839 1.00 0.00 C ATOM 529 CZ PHE A 33 16.783 1.998 -7.098 1.00 0.00 C ATOM 0 H PHE A 33 16.476 -0.572 -2.330 1.00 0.00 H new ATOM 0 HA PHE A 33 16.908 -2.353 -4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.871 -0.351 -3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.228 -1.433 -4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.477 -1.323 -6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.107 1.817 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 33 16.529 0.320 -8.425 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.156 3.462 -5.563 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.371 2.714 -7.794 1.00 0.00 H new ATOM 539 N ALA A 34 17.085 -3.321 -1.937 1.00 0.00 N ATOM 540 CA ALA A 34 17.617 -4.307 -0.954 1.00 0.00 C ATOM 541 C ALA A 34 16.612 -5.447 -0.781 1.00 0.00 C ATOM 542 O ALA A 34 16.196 -5.757 0.318 1.00 0.00 O ATOM 543 CB ALA A 34 17.843 -3.617 0.392 1.00 0.00 C ATOM 0 H ALA A 34 16.097 -3.091 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 34 18.563 -4.708 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.232 -4.339 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.560 -2.805 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.898 -3.214 0.758 1.00 0.00 H new ATOM 549 N ALA A 35 16.216 -6.073 -1.857 1.00 0.00 N ATOM 550 CA ALA A 35 15.237 -7.191 -1.750 1.00 0.00 C ATOM 551 C ALA A 35 14.927 -7.733 -3.146 1.00 0.00 C ATOM 552 O ALA A 35 13.914 -7.412 -3.736 1.00 0.00 O ATOM 553 CB ALA A 35 13.948 -6.679 -1.102 1.00 0.00 C ATOM 0 H ALA A 35 16.528 -5.858 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 35 15.660 -7.988 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.231 -7.496 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.169 -6.293 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.525 -5.883 -1.714 1.00 0.00 H new ATOM 559 N SER A 36 15.791 -8.552 -3.681 1.00 0.00 N ATOM 560 CA SER A 36 15.546 -9.112 -5.038 1.00 0.00 C ATOM 561 C SER A 36 15.155 -7.982 -5.993 1.00 0.00 C ATOM 562 O SER A 36 14.193 -8.083 -6.730 1.00 0.00 O ATOM 563 CB SER A 36 14.412 -10.139 -4.971 1.00 0.00 C ATOM 564 OG SER A 36 14.720 -11.118 -3.991 1.00 0.00 O ATOM 0 H SER A 36 16.656 -8.857 -3.236 1.00 0.00 H new ATOM 0 HA SER A 36 16.453 -9.596 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.473 -9.644 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.277 -10.612 -5.944 1.00 0.00 H new ATOM 0 HG SER A 36 13.994 -11.775 -3.946 1.00 0.00 H new ATOM 570 N LYS A 37 15.893 -6.905 -5.987 1.00 0.00 N ATOM 571 CA LYS A 37 15.562 -5.770 -6.894 1.00 0.00 C ATOM 572 C LYS A 37 16.378 -5.894 -8.183 1.00 0.00 C ATOM 573 O LYS A 37 16.555 -4.937 -8.911 1.00 0.00 O ATOM 574 CB LYS A 37 15.899 -4.449 -6.201 1.00 0.00 C ATOM 575 CG LYS A 37 15.161 -3.305 -6.899 1.00 0.00 C ATOM 576 CD LYS A 37 13.693 -3.305 -6.467 1.00 0.00 C ATOM 577 CE LYS A 37 12.814 -3.739 -7.644 1.00 0.00 C ATOM 578 NZ LYS A 37 12.384 -5.151 -7.447 1.00 0.00 N ATOM 0 H LYS A 37 16.710 -6.763 -5.393 1.00 0.00 H new ATOM 0 HA LYS A 37 14.499 -5.793 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.612 -4.494 -5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.974 -4.274 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.625 -2.351 -6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.233 -3.418 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.551 -3.982 -5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.402 -2.310 -6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.942 -3.089 -7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.366 -3.643 -8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.888 -5.764 -8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.604 -5.448 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.360 -5.228 -7.609 1.00 0.00 H new ATOM 592 N ASN A 38 16.878 -7.064 -8.468 1.00 0.00 N ATOM 593 CA ASN A 38 17.683 -7.248 -9.710 1.00 0.00 C ATOM 594 C ASN A 38 16.778 -7.758 -10.832 1.00 0.00 C ATOM 595 O ASN A 38 17.214 -8.461 -11.722 1.00 0.00 O ATOM 596 CB ASN A 38 18.796 -8.265 -9.449 1.00 0.00 C ATOM 597 CG ASN A 38 20.156 -7.580 -9.599 1.00 0.00 C ATOM 598 OD1 ASN A 38 20.887 -7.853 -10.530 1.00 0.00 O ATOM 599 ND2 ASN A 38 20.529 -6.696 -8.714 1.00 0.00 N ATOM 0 H ASN A 38 16.765 -7.901 -7.896 1.00 0.00 H new ATOM 0 HA ASN A 38 18.123 -6.295 -10.004 1.00 0.00 H new ATOM 0 HB2 ASN A 38 18.695 -8.682 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 38 18.716 -9.096 -10.150 1.00 0.00 H new ATOM 0 HD21 ASN A 38 21.434 -6.235 -8.804 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.915 -6.467 -7.932 1.00 0.00 H new ATOM 606 N THR A 39 15.521 -7.412 -10.798 1.00 0.00 N ATOM 607 CA THR A 39 14.589 -7.879 -11.865 1.00 0.00 C ATOM 608 C THR A 39 14.635 -6.903 -13.045 1.00 0.00 C ATOM 609 O THR A 39 15.478 -6.031 -13.107 1.00 0.00 O ATOM 610 CB THR A 39 13.167 -7.949 -11.300 1.00 0.00 C ATOM 611 OG1 THR A 39 12.342 -8.690 -12.188 1.00 0.00 O ATOM 612 CG2 THR A 39 12.604 -6.536 -11.138 1.00 0.00 C ATOM 0 H THR A 39 15.098 -6.826 -10.078 1.00 0.00 H new ATOM 0 HA THR A 39 14.888 -8.869 -12.209 1.00 0.00 H new ATOM 0 HB THR A 39 13.189 -8.440 -10.327 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.432 -8.737 -11.827 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.592 -6.591 -10.736 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.236 -5.969 -10.454 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.582 -6.040 -12.108 1.00 0.00 H new ATOM 620 N THR A 40 13.737 -7.046 -13.983 1.00 0.00 N ATOM 621 CA THR A 40 13.732 -6.128 -15.160 1.00 0.00 C ATOM 622 C THR A 40 13.969 -4.691 -14.694 1.00 0.00 C ATOM 623 O THR A 40 13.441 -4.258 -13.689 1.00 0.00 O ATOM 624 CB THR A 40 12.377 -6.217 -15.867 1.00 0.00 C ATOM 625 OG1 THR A 40 11.745 -7.443 -15.526 1.00 0.00 O ATOM 626 CG2 THR A 40 12.585 -6.152 -17.381 1.00 0.00 C ATOM 0 H THR A 40 13.007 -7.758 -13.985 1.00 0.00 H new ATOM 0 HA THR A 40 14.525 -6.419 -15.849 1.00 0.00 H new ATOM 0 HB THR A 40 11.748 -5.384 -15.552 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.877 -7.500 -15.977 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.620 -6.215 -17.884 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.069 -5.211 -17.642 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.215 -6.984 -17.698 1.00 0.00 H new ATOM 634 N GLU A 41 14.759 -3.945 -15.419 1.00 0.00 N ATOM 635 CA GLU A 41 15.028 -2.536 -15.019 1.00 0.00 C ATOM 636 C GLU A 41 13.711 -1.761 -14.968 1.00 0.00 C ATOM 637 O GLU A 41 13.484 -0.963 -14.083 1.00 0.00 O ATOM 638 CB GLU A 41 15.966 -1.885 -16.037 1.00 0.00 C ATOM 639 CG GLU A 41 17.235 -2.730 -16.178 1.00 0.00 C ATOM 640 CD GLU A 41 18.051 -2.234 -17.373 1.00 0.00 C ATOM 641 OE1 GLU A 41 17.694 -2.570 -18.490 1.00 0.00 O ATOM 642 OE2 GLU A 41 19.020 -1.527 -17.150 1.00 0.00 O ATOM 0 H GLU A 41 15.229 -4.252 -16.271 1.00 0.00 H new ATOM 0 HA GLU A 41 15.496 -2.521 -14.035 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.467 -1.796 -17.002 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.223 -0.875 -15.717 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.830 -2.666 -15.267 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.972 -3.779 -16.314 1.00 0.00 H new ATOM 649 N LYS A 42 12.837 -1.991 -15.908 1.00 0.00 N ATOM 650 CA LYS A 42 11.536 -1.265 -15.901 1.00 0.00 C ATOM 651 C LYS A 42 10.848 -1.475 -14.549 1.00 0.00 C ATOM 652 O LYS A 42 10.160 -0.606 -14.050 1.00 0.00 O ATOM 653 CB LYS A 42 10.642 -1.807 -17.017 1.00 0.00 C ATOM 654 CG LYS A 42 10.955 -1.077 -18.325 1.00 0.00 C ATOM 655 CD LYS A 42 10.546 -1.954 -19.510 1.00 0.00 C ATOM 656 CE LYS A 42 10.281 -1.073 -20.731 1.00 0.00 C ATOM 657 NZ LYS A 42 9.961 -1.935 -21.904 1.00 0.00 N ATOM 0 H LYS A 42 12.966 -2.647 -16.678 1.00 0.00 H new ATOM 0 HA LYS A 42 11.711 -0.201 -16.062 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.804 -2.878 -17.139 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.593 -1.671 -16.755 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.421 -0.127 -18.360 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.019 -0.847 -18.380 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.334 -2.674 -19.732 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.652 -2.526 -19.261 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.454 -0.393 -20.529 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.155 -0.458 -20.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.780 -1.337 -22.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.764 -2.567 -22.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.115 -2.504 -21.697 1.00 0.00 H new ATOM 671 N GLU A 43 11.027 -2.625 -13.956 1.00 0.00 N ATOM 672 CA GLU A 43 10.382 -2.894 -12.639 1.00 0.00 C ATOM 673 C GLU A 43 11.045 -2.046 -11.552 1.00 0.00 C ATOM 674 O GLU A 43 10.377 -1.459 -10.724 1.00 0.00 O ATOM 675 CB GLU A 43 10.531 -4.377 -12.293 1.00 0.00 C ATOM 676 CG GLU A 43 10.022 -4.622 -10.870 1.00 0.00 C ATOM 677 CD GLU A 43 9.315 -5.977 -10.806 1.00 0.00 C ATOM 678 OE1 GLU A 43 8.563 -6.274 -11.721 1.00 0.00 O ATOM 679 OE2 GLU A 43 9.534 -6.693 -9.844 1.00 0.00 O ATOM 0 H GLU A 43 11.592 -3.389 -14.327 1.00 0.00 H new ATOM 0 HA GLU A 43 9.324 -2.637 -12.698 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.969 -4.985 -13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.576 -4.677 -12.374 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.854 -4.601 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.336 -3.828 -10.576 1.00 0.00 H new ATOM 686 N THR A 44 12.349 -1.968 -11.541 1.00 0.00 N ATOM 687 CA THR A 44 13.013 -1.141 -10.490 1.00 0.00 C ATOM 688 C THR A 44 12.579 0.306 -10.678 1.00 0.00 C ATOM 689 O THR A 44 12.508 1.073 -9.747 1.00 0.00 O ATOM 690 CB THR A 44 14.554 -1.257 -10.554 1.00 0.00 C ATOM 691 OG1 THR A 44 15.088 -0.981 -9.267 1.00 0.00 O ATOM 692 CG2 THR A 44 15.131 -0.254 -11.560 1.00 0.00 C ATOM 0 H THR A 44 12.974 -2.431 -12.201 1.00 0.00 H new ATOM 0 HA THR A 44 12.712 -1.505 -9.508 1.00 0.00 H new ATOM 0 HB THR A 44 14.820 -2.265 -10.872 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.921 -1.483 -9.144 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.216 -0.352 -11.590 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.721 -0.455 -12.550 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.866 0.759 -11.256 1.00 0.00 H new ATOM 700 N PHE A 45 12.289 0.670 -11.888 1.00 0.00 N ATOM 701 CA PHE A 45 11.839 2.062 -12.170 1.00 0.00 C ATOM 702 C PHE A 45 10.420 2.262 -11.629 1.00 0.00 C ATOM 703 O PHE A 45 10.052 3.340 -11.211 1.00 0.00 O ATOM 704 CB PHE A 45 11.863 2.308 -13.672 1.00 0.00 C ATOM 705 CG PHE A 45 13.320 2.393 -14.135 1.00 0.00 C ATOM 706 CD1 PHE A 45 14.278 3.070 -13.352 1.00 0.00 C ATOM 707 CD2 PHE A 45 13.727 1.788 -15.339 1.00 0.00 C ATOM 708 CE1 PHE A 45 15.610 3.138 -13.769 1.00 0.00 C ATOM 709 CE2 PHE A 45 15.064 1.861 -15.748 1.00 0.00 C ATOM 710 CZ PHE A 45 16.002 2.537 -14.963 1.00 0.00 C ATOM 0 H PHE A 45 12.343 0.061 -12.704 1.00 0.00 H new ATOM 0 HA PHE A 45 12.509 2.769 -11.681 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.347 1.502 -14.195 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.336 3.232 -13.912 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.981 3.538 -12.425 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.005 1.266 -15.949 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.338 3.658 -13.164 1.00 0.00 H new ATOM 0 HE2 PHE A 45 15.371 1.394 -16.672 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.032 2.594 -15.282 1.00 0.00 H new ATOM 720 N CYS A 46 9.615 1.229 -11.646 1.00 0.00 N ATOM 721 CA CYS A 46 8.220 1.364 -11.143 1.00 0.00 C ATOM 722 C CYS A 46 8.240 1.535 -9.622 1.00 0.00 C ATOM 723 O CYS A 46 7.656 2.454 -9.083 1.00 0.00 O ATOM 724 CB CYS A 46 7.436 0.098 -11.526 1.00 0.00 C ATOM 725 SG CYS A 46 5.930 -0.041 -10.525 1.00 0.00 S ATOM 0 H CYS A 46 9.866 0.301 -11.986 1.00 0.00 H new ATOM 0 HA CYS A 46 7.741 2.237 -11.586 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.175 0.130 -12.584 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.061 -0.783 -11.378 1.00 0.00 H new ATOM 730 N ARG A 47 8.919 0.666 -8.928 1.00 0.00 N ATOM 731 CA ARG A 47 8.989 0.786 -7.444 1.00 0.00 C ATOM 732 C ARG A 47 9.855 1.992 -7.073 1.00 0.00 C ATOM 733 O ARG A 47 9.638 2.649 -6.073 1.00 0.00 O ATOM 734 CB ARG A 47 9.615 -0.482 -6.864 1.00 0.00 C ATOM 735 CG ARG A 47 9.310 -0.565 -5.367 1.00 0.00 C ATOM 736 CD ARG A 47 9.524 -2.000 -4.882 1.00 0.00 C ATOM 737 NE ARG A 47 10.592 -2.020 -3.842 1.00 0.00 N ATOM 738 CZ ARG A 47 11.233 -3.129 -3.587 1.00 0.00 C ATOM 739 NH1 ARG A 47 10.592 -4.266 -3.583 1.00 0.00 N ATOM 740 NH2 ARG A 47 12.512 -3.100 -3.338 1.00 0.00 N ATOM 0 H ARG A 47 9.429 -0.123 -9.324 1.00 0.00 H new ATOM 0 HA ARG A 47 7.985 0.918 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.222 -1.361 -7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.693 -0.475 -7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.957 0.117 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.283 -0.255 -5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.596 -2.399 -4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.804 -2.640 -5.719 1.00 0.00 H new ATOM 0 HE ARG A 47 10.822 -1.168 -3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.591 -4.288 -3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.092 -5.133 -3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.012 -2.211 -3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.013 -3.966 -3.139 1.00 0.00 H new ATOM 754 N ALA A 48 10.844 2.276 -7.874 1.00 0.00 N ATOM 755 CA ALA A 48 11.748 3.436 -7.576 1.00 0.00 C ATOM 756 C ALA A 48 10.999 4.738 -7.786 1.00 0.00 C ATOM 757 O ALA A 48 11.241 5.727 -7.130 1.00 0.00 O ATOM 758 CB ALA A 48 12.993 3.410 -8.478 1.00 0.00 C ATOM 0 H ALA A 48 11.070 1.758 -8.723 1.00 0.00 H new ATOM 0 HA ALA A 48 12.070 3.359 -6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.631 4.261 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.545 2.485 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.687 3.465 -9.523 1.00 0.00 H new ATOM 764 N ALA A 49 10.089 4.738 -8.690 1.00 0.00 N ATOM 765 CA ALA A 49 9.298 5.968 -8.946 1.00 0.00 C ATOM 766 C ALA A 49 8.355 6.188 -7.766 1.00 0.00 C ATOM 767 O ALA A 49 8.016 7.303 -7.421 1.00 0.00 O ATOM 768 CB ALA A 49 8.491 5.809 -10.237 1.00 0.00 C ATOM 0 H ALA A 49 9.848 3.937 -9.274 1.00 0.00 H new ATOM 0 HA ALA A 49 9.963 6.824 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.913 6.715 -10.419 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.170 5.638 -11.072 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.814 4.960 -10.141 1.00 0.00 H new ATOM 774 N THR A 50 7.936 5.122 -7.140 1.00 0.00 N ATOM 775 CA THR A 50 7.022 5.251 -5.976 1.00 0.00 C ATOM 776 C THR A 50 7.791 5.853 -4.800 1.00 0.00 C ATOM 777 O THR A 50 7.289 6.698 -4.086 1.00 0.00 O ATOM 778 CB THR A 50 6.488 3.870 -5.581 1.00 0.00 C ATOM 779 OG1 THR A 50 6.898 2.910 -6.545 1.00 0.00 O ATOM 780 CG2 THR A 50 4.960 3.910 -5.518 1.00 0.00 C ATOM 0 H THR A 50 8.190 4.166 -7.387 1.00 0.00 H new ATOM 0 HA THR A 50 6.185 5.897 -6.241 1.00 0.00 H new ATOM 0 HB THR A 50 6.883 3.595 -4.603 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.231 2.194 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.582 2.927 -5.237 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.646 4.645 -4.777 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.563 4.186 -6.495 1.00 0.00 H new ATOM 788 N VAL A 51 9.008 5.426 -4.590 1.00 0.00 N ATOM 789 CA VAL A 51 9.797 5.983 -3.457 1.00 0.00 C ATOM 790 C VAL A 51 10.162 7.431 -3.760 1.00 0.00 C ATOM 791 O VAL A 51 9.926 8.305 -2.960 1.00 0.00 O ATOM 792 CB VAL A 51 11.069 5.158 -3.238 1.00 0.00 C ATOM 793 CG1 VAL A 51 10.687 3.744 -2.806 1.00 0.00 C ATOM 794 CG2 VAL A 51 11.877 5.082 -4.532 1.00 0.00 C ATOM 0 H VAL A 51 9.486 4.720 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 51 9.196 5.941 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 51 11.672 5.636 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.591 3.155 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.117 3.789 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.080 3.278 -3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.779 4.493 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.276 4.611 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.154 6.088 -4.848 1.00 0.00 H new ATOM 804 N LEU A 52 10.712 7.709 -4.909 1.00 0.00 N ATOM 805 CA LEU A 52 11.044 9.119 -5.227 1.00 0.00 C ATOM 806 C LEU A 52 9.763 9.942 -5.091 1.00 0.00 C ATOM 807 O LEU A 52 9.792 11.113 -4.773 1.00 0.00 O ATOM 808 CB LEU A 52 11.573 9.216 -6.659 1.00 0.00 C ATOM 809 CG LEU A 52 11.658 10.687 -7.073 1.00 0.00 C ATOM 810 CD1 LEU A 52 12.932 10.914 -7.889 1.00 0.00 C ATOM 811 CD2 LEU A 52 10.438 11.048 -7.922 1.00 0.00 C ATOM 0 H LEU A 52 10.943 7.027 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 52 11.811 9.493 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.556 8.751 -6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.916 8.673 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 52 11.680 11.315 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 52 12.993 11.961 -8.184 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.802 10.656 -7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.910 10.287 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.497 12.096 -8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.416 10.420 -8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.530 10.886 -7.341 1.00 0.00 H new ATOM 823 N ARG A 53 8.635 9.326 -5.332 1.00 0.00 N ATOM 824 CA ARG A 53 7.344 10.056 -5.219 1.00 0.00 C ATOM 825 C ARG A 53 7.091 10.432 -3.759 1.00 0.00 C ATOM 826 O ARG A 53 6.797 11.568 -3.443 1.00 0.00 O ATOM 827 CB ARG A 53 6.205 9.155 -5.707 1.00 0.00 C ATOM 828 CG ARG A 53 4.866 9.859 -5.483 1.00 0.00 C ATOM 829 CD ARG A 53 3.997 9.017 -4.547 1.00 0.00 C ATOM 830 NE ARG A 53 2.570 9.130 -4.957 1.00 0.00 N ATOM 831 CZ ARG A 53 1.993 8.146 -5.591 1.00 0.00 C ATOM 832 NH1 ARG A 53 2.691 7.386 -6.391 1.00 0.00 N ATOM 833 NH2 ARG A 53 0.718 7.923 -5.426 1.00 0.00 N ATOM 0 H ARG A 53 8.555 8.346 -5.603 1.00 0.00 H new ATOM 0 HA ARG A 53 7.388 10.960 -5.827 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.335 8.927 -6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.223 8.206 -5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.030 10.847 -5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.357 10.006 -6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.314 7.975 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.119 9.356 -3.518 1.00 0.00 H new ATOM 0 HE ARG A 53 2.043 9.977 -4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.687 7.561 -6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.240 6.617 -6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.173 8.518 -4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.266 7.154 -5.921 1.00 0.00 H new ATOM 847 N GLN A 54 7.193 9.489 -2.862 1.00 0.00 N ATOM 848 CA GLN A 54 6.946 9.806 -1.425 1.00 0.00 C ATOM 849 C GLN A 54 8.022 10.752 -0.897 1.00 0.00 C ATOM 850 O GLN A 54 7.808 11.519 0.019 1.00 0.00 O ATOM 851 CB GLN A 54 6.947 8.516 -0.604 1.00 0.00 C ATOM 852 CG GLN A 54 5.962 7.519 -1.219 1.00 0.00 C ATOM 853 CD GLN A 54 4.676 7.491 -0.391 1.00 0.00 C ATOM 854 OE1 GLN A 54 4.557 8.197 0.592 1.00 0.00 O ATOM 855 NE2 GLN A 54 3.702 6.700 -0.747 1.00 0.00 N ATOM 0 H GLN A 54 7.435 8.518 -3.060 1.00 0.00 H new ATOM 0 HA GLN A 54 5.975 10.293 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.949 8.087 -0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.669 8.729 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.738 7.801 -2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.408 6.525 -1.251 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.801 6.108 -1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.841 6.674 -0.201 1.00 0.00 H new ATOM 864 N PHE A 55 9.180 10.670 -1.456 1.00 0.00 N ATOM 865 CA PHE A 55 10.313 11.520 -1.000 1.00 0.00 C ATOM 866 C PHE A 55 10.102 12.988 -1.376 1.00 0.00 C ATOM 867 O PHE A 55 10.161 13.853 -0.536 1.00 0.00 O ATOM 868 CB PHE A 55 11.582 11.013 -1.698 1.00 0.00 C ATOM 869 CG PHE A 55 12.746 11.905 -1.364 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.399 11.769 -0.136 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.173 12.865 -2.287 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.483 12.596 0.171 1.00 0.00 C ATOM 873 CE2 PHE A 55 14.258 13.693 -1.980 1.00 0.00 C ATOM 874 CZ PHE A 55 14.911 13.557 -0.752 1.00 0.00 C ATOM 0 H PHE A 55 9.403 10.040 -2.226 1.00 0.00 H new ATOM 0 HA PHE A 55 10.391 11.458 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.795 9.991 -1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.429 10.990 -2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 55 13.067 11.026 0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.666 12.967 -3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.990 12.494 1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 55 14.590 14.436 -2.690 1.00 0.00 H new ATOM 0 HZ PHE A 55 15.749 14.196 -0.514 1.00 0.00 H new ATOM 884 N TYR A 56 9.849 13.296 -2.614 1.00 0.00 N ATOM 885 CA TYR A 56 9.672 14.736 -2.965 1.00 0.00 C ATOM 886 C TYR A 56 8.351 15.282 -2.386 1.00 0.00 C ATOM 887 O TYR A 56 8.322 16.386 -1.885 1.00 0.00 O ATOM 888 CB TYR A 56 9.752 14.954 -4.498 1.00 0.00 C ATOM 889 CG TYR A 56 8.423 14.702 -5.176 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.807 13.450 -5.085 1.00 0.00 C ATOM 891 CD2 TYR A 56 7.814 15.729 -5.910 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.579 13.226 -5.723 1.00 0.00 C ATOM 893 CE2 TYR A 56 6.589 15.506 -6.547 1.00 0.00 C ATOM 894 CZ TYR A 56 5.970 14.255 -6.453 1.00 0.00 C ATOM 895 OH TYR A 56 4.761 14.033 -7.079 1.00 0.00 O ATOM 0 H TYR A 56 9.758 12.634 -3.385 1.00 0.00 H new ATOM 0 HA TYR A 56 10.491 15.297 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.076 15.974 -4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.506 14.290 -4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.277 12.656 -4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.292 16.695 -5.984 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.102 12.260 -5.652 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.121 16.299 -7.111 1.00 0.00 H new ATOM 0 HH TYR A 56 4.477 14.849 -7.541 1.00 0.00 H new ATOM 905 N SER A 57 7.252 14.550 -2.440 1.00 0.00 N ATOM 906 CA SER A 57 5.981 15.097 -1.887 1.00 0.00 C ATOM 907 C SER A 57 5.972 15.135 -0.346 1.00 0.00 C ATOM 908 O SER A 57 5.355 15.999 0.246 1.00 0.00 O ATOM 909 CB SER A 57 4.816 14.229 -2.367 1.00 0.00 C ATOM 910 OG SER A 57 5.204 13.522 -3.535 1.00 0.00 O ATOM 0 H SER A 57 7.190 13.613 -2.839 1.00 0.00 H new ATOM 0 HA SER A 57 5.884 16.123 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.524 13.528 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.947 14.852 -2.578 1.00 0.00 H new ATOM 0 HG SER A 57 5.419 14.160 -4.247 1.00 0.00 H new ATOM 916 N HIS A 58 6.578 14.180 0.313 1.00 0.00 N ATOM 917 CA HIS A 58 6.508 14.149 1.806 1.00 0.00 C ATOM 918 C HIS A 58 7.348 15.239 2.477 1.00 0.00 C ATOM 919 O HIS A 58 6.858 15.967 3.318 1.00 0.00 O ATOM 920 CB HIS A 58 6.988 12.783 2.297 1.00 0.00 C ATOM 921 CG HIS A 58 6.500 12.550 3.702 1.00 0.00 C ATOM 922 ND1 HIS A 58 6.186 11.284 4.173 1.00 0.00 N ATOM 923 CD2 HIS A 58 6.269 13.407 4.748 1.00 0.00 C ATOM 924 CE1 HIS A 58 5.787 11.416 5.450 1.00 0.00 C ATOM 925 NE2 HIS A 58 5.818 12.690 5.851 1.00 0.00 N ATOM 0 H HIS A 58 7.115 13.425 -0.114 1.00 0.00 H new ATOM 0 HA HIS A 58 5.469 14.333 2.079 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.617 11.998 1.638 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.077 12.737 2.267 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.415 14.477 4.719 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.479 10.592 6.076 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.565 13.058 6.768 1.00 0.00 H new ATOM 933 N HIS A 59 8.606 15.349 2.157 1.00 0.00 N ATOM 934 CA HIS A 59 9.428 16.376 2.837 1.00 0.00 C ATOM 935 C HIS A 59 9.090 17.793 2.366 1.00 0.00 C ATOM 936 O HIS A 59 9.294 18.733 3.103 1.00 0.00 O ATOM 937 CB HIS A 59 10.929 16.087 2.739 1.00 0.00 C ATOM 938 CG HIS A 59 11.374 15.605 1.390 1.00 0.00 C ATOM 939 ND1 HIS A 59 11.297 16.400 0.260 1.00 0.00 N ATOM 940 CD2 HIS A 59 12.032 14.461 1.005 1.00 0.00 C ATOM 941 CE1 HIS A 59 11.907 15.737 -0.740 1.00 0.00 C ATOM 942 NE2 HIS A 59 12.373 14.552 -0.339 1.00 0.00 N ATOM 0 H HIS A 59 9.092 14.780 1.464 1.00 0.00 H new ATOM 0 HA HIS A 59 9.168 16.321 3.894 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.480 16.994 2.988 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.193 15.338 3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.250 13.621 1.648 1.00 0.00 H new ATOM 0 HE1 HIS A 59 12.007 16.118 -1.746 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.872 13.861 -0.899 1.00 0.00 H new ATOM 950 N GLU A 60 8.601 17.948 1.149 1.00 0.00 N ATOM 951 CA GLU A 60 8.251 19.311 0.607 1.00 0.00 C ATOM 952 C GLU A 60 8.034 20.305 1.748 1.00 0.00 C ATOM 953 O GLU A 60 8.558 21.402 1.745 1.00 0.00 O ATOM 954 CB GLU A 60 6.961 19.214 -0.209 1.00 0.00 C ATOM 955 CG GLU A 60 7.279 18.708 -1.614 1.00 0.00 C ATOM 956 CD GLU A 60 6.786 19.724 -2.647 1.00 0.00 C ATOM 957 OE1 GLU A 60 5.758 20.334 -2.406 1.00 0.00 O ATOM 958 OE2 GLU A 60 7.446 19.873 -3.662 1.00 0.00 O ATOM 0 H GLU A 60 8.428 17.179 0.502 1.00 0.00 H new ATOM 0 HA GLU A 60 9.074 19.657 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.259 18.539 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.479 20.190 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.353 18.555 -1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.801 17.743 -1.781 1.00 0.00 H new ATOM 965 N LYS A 61 7.282 19.913 2.735 1.00 0.00 N ATOM 966 CA LYS A 61 7.046 20.812 3.901 1.00 0.00 C ATOM 967 C LYS A 61 7.644 20.149 5.141 1.00 0.00 C ATOM 968 O LYS A 61 7.026 19.309 5.765 1.00 0.00 O ATOM 969 CB LYS A 61 5.543 21.022 4.099 1.00 0.00 C ATOM 970 CG LYS A 61 4.853 21.105 2.736 1.00 0.00 C ATOM 971 CD LYS A 61 3.890 19.927 2.576 1.00 0.00 C ATOM 972 CE LYS A 61 2.482 20.452 2.298 1.00 0.00 C ATOM 973 NZ LYS A 61 2.440 21.067 0.941 1.00 0.00 N ATOM 0 H LYS A 61 6.818 19.006 2.787 1.00 0.00 H new ATOM 0 HA LYS A 61 7.512 21.782 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.124 20.201 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.365 21.937 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.310 22.046 2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.597 21.091 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.218 19.284 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.890 19.318 3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.760 19.638 2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.201 21.188 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.457 21.302 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.015 21.934 0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.819 20.395 0.244 1.00 0.00 H new ATOM 987 N ASP A 62 8.851 20.504 5.488 1.00 0.00 N ATOM 988 CA ASP A 62 9.509 19.883 6.666 1.00 0.00 C ATOM 989 C ASP A 62 10.946 20.375 6.728 1.00 0.00 C ATOM 990 O ASP A 62 11.231 21.448 7.222 1.00 0.00 O ATOM 991 CB ASP A 62 9.470 18.357 6.530 1.00 0.00 C ATOM 992 CG ASP A 62 10.208 17.718 7.707 1.00 0.00 C ATOM 993 OD1 ASP A 62 10.322 18.367 8.732 1.00 0.00 O ATOM 994 OD2 ASP A 62 10.646 16.587 7.562 1.00 0.00 O ATOM 0 H ASP A 62 9.411 21.203 5.000 1.00 0.00 H new ATOM 0 HA ASP A 62 8.989 20.160 7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.437 18.010 6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.932 18.054 5.590 1.00 0.00 H new ATOM 999 N THR A 63 11.844 19.610 6.218 1.00 0.00 N ATOM 1000 CA THR A 63 13.268 20.017 6.218 1.00 0.00 C ATOM 1001 C THR A 63 13.895 19.582 4.894 1.00 0.00 C ATOM 1002 O THR A 63 13.900 20.317 3.934 1.00 0.00 O ATOM 1003 CB THR A 63 13.998 19.341 7.381 1.00 0.00 C ATOM 1004 OG1 THR A 63 13.438 18.055 7.607 1.00 0.00 O ATOM 1005 CG2 THR A 63 13.851 20.194 8.642 1.00 0.00 C ATOM 0 H THR A 63 11.656 18.703 5.792 1.00 0.00 H new ATOM 0 HA THR A 63 13.348 21.098 6.333 1.00 0.00 H new ATOM 0 HB THR A 63 15.055 19.238 7.137 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.906 17.621 8.351 1.00 0.00 H new ATOM 0 HG21 THR A 63 14.371 19.712 9.470 1.00 0.00 H new ATOM 0 HG22 THR A 63 14.282 21.180 8.467 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.795 20.299 8.889 1.00 0.00 H new ATOM 1013 N ARG A 64 14.396 18.377 4.849 1.00 0.00 N ATOM 1014 CA ARG A 64 15.028 17.832 3.600 1.00 0.00 C ATOM 1015 C ARG A 64 15.488 18.963 2.669 1.00 0.00 C ATOM 1016 O ARG A 64 14.711 19.491 1.898 1.00 0.00 O ATOM 1017 CB ARG A 64 14.018 16.949 2.864 1.00 0.00 C ATOM 1018 CG ARG A 64 13.517 15.847 3.804 1.00 0.00 C ATOM 1019 CD ARG A 64 14.700 15.223 4.548 1.00 0.00 C ATOM 1020 NE ARG A 64 14.208 14.140 5.445 1.00 0.00 N ATOM 1021 CZ ARG A 64 13.308 13.297 5.018 1.00 0.00 C ATOM 1022 NH1 ARG A 64 13.413 12.781 3.823 1.00 0.00 N ATOM 1023 NH2 ARG A 64 12.305 12.970 5.783 1.00 0.00 N ATOM 0 H ARG A 64 14.396 17.731 5.638 1.00 0.00 H new ATOM 0 HA ARG A 64 15.902 17.247 3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.180 17.552 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.482 16.506 1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.804 16.261 4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.990 15.082 3.234 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.420 14.820 3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.219 15.984 5.130 1.00 0.00 H new ATOM 0 HE ARG A 64 14.575 14.057 6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.198 13.037 3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.710 12.122 3.488 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.223 13.373 6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.602 12.311 5.448 1.00 0.00 H new ATOM 1037 N CYS A 65 16.740 19.333 2.737 1.00 0.00 N ATOM 1038 CA CYS A 65 17.260 20.425 1.857 1.00 0.00 C ATOM 1039 C CYS A 65 16.926 21.797 2.460 1.00 0.00 C ATOM 1040 O CYS A 65 17.350 22.821 1.961 1.00 0.00 O ATOM 1041 CB CYS A 65 16.637 20.311 0.463 1.00 0.00 C ATOM 1042 SG CYS A 65 17.927 20.495 -0.794 1.00 0.00 S ATOM 0 H CYS A 65 17.430 18.924 3.368 1.00 0.00 H new ATOM 0 HA CYS A 65 18.343 20.326 1.778 1.00 0.00 H new ATOM 0 HB2 CYS A 65 16.142 19.346 0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 65 15.874 21.078 0.331 1.00 0.00 H new ATOM 1047 N LEU A 66 16.185 21.827 3.534 1.00 0.00 N ATOM 1048 CA LEU A 66 15.841 23.133 4.173 1.00 0.00 C ATOM 1049 C LEU A 66 16.894 23.438 5.243 1.00 0.00 C ATOM 1050 O LEU A 66 16.886 22.854 6.308 1.00 0.00 O ATOM 1051 CB LEU A 66 14.462 23.030 4.835 1.00 0.00 C ATOM 1052 CG LEU A 66 13.381 23.570 3.891 1.00 0.00 C ATOM 1053 CD1 LEU A 66 12.625 22.400 3.260 1.00 0.00 C ATOM 1054 CD2 LEU A 66 12.393 24.431 4.681 1.00 0.00 C ATOM 0 H LEU A 66 15.802 21.004 3.998 1.00 0.00 H new ATOM 0 HA LEU A 66 15.822 23.924 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.249 21.992 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.455 23.594 5.768 1.00 0.00 H new ATOM 0 HG LEU A 66 13.852 24.170 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.856 22.783 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.321 21.778 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.158 21.804 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.625 24.814 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.926 23.827 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.923 25.266 5.139 1.00 0.00 H new ATOM 1066 N GLY A 67 17.811 24.330 4.973 1.00 0.00 N ATOM 1067 CA GLY A 67 18.856 24.626 5.993 1.00 0.00 C ATOM 1068 C GLY A 67 18.695 26.052 6.547 1.00 0.00 C ATOM 1069 O GLY A 67 19.659 26.783 6.663 1.00 0.00 O ATOM 0 H GLY A 67 17.881 24.859 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.789 23.905 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.845 24.514 5.549 1.00 0.00 H new ATOM 1073 N ALA A 68 17.496 26.458 6.903 1.00 0.00 N ATOM 1074 CA ALA A 68 17.310 27.832 7.456 1.00 0.00 C ATOM 1075 C ALA A 68 18.123 28.839 6.639 1.00 0.00 C ATOM 1076 O ALA A 68 18.511 29.882 7.127 1.00 0.00 O ATOM 1077 CB ALA A 68 17.779 27.863 8.913 1.00 0.00 C ATOM 0 H ALA A 68 16.646 25.898 6.833 1.00 0.00 H new ATOM 0 HA ALA A 68 16.254 28.098 7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.644 28.866 9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.194 27.153 9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.834 27.592 8.962 1.00 0.00 H new ATOM 1083 N THR A 69 18.378 28.536 5.399 1.00 0.00 N ATOM 1084 CA THR A 69 19.160 29.469 4.539 1.00 0.00 C ATOM 1085 C THR A 69 18.385 29.693 3.236 1.00 0.00 C ATOM 1086 O THR A 69 18.235 28.782 2.459 1.00 0.00 O ATOM 1087 CB THR A 69 20.517 28.836 4.218 1.00 0.00 C ATOM 1088 OG1 THR A 69 20.500 27.467 4.596 1.00 0.00 O ATOM 1089 CG2 THR A 69 21.616 29.566 4.991 1.00 0.00 C ATOM 0 H THR A 69 18.077 27.677 4.940 1.00 0.00 H new ATOM 0 HA THR A 69 19.313 30.418 5.052 1.00 0.00 H new ATOM 0 HB THR A 69 20.712 28.916 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 69 20.505 27.397 5.574 1.00 0.00 H new ATOM 0 HG21 THR A 69 22.582 29.116 4.763 1.00 0.00 H new ATOM 0 HG22 THR A 69 21.628 30.617 4.701 1.00 0.00 H new ATOM 0 HG23 THR A 69 21.422 29.487 6.061 1.00 0.00 H new ATOM 1097 N ALA A 70 17.882 30.879 2.971 1.00 0.00 N ATOM 1098 CA ALA A 70 17.130 31.074 1.705 1.00 0.00 C ATOM 1099 C ALA A 70 17.952 30.494 0.555 1.00 0.00 C ATOM 1100 O ALA A 70 17.415 30.052 -0.442 1.00 0.00 O ATOM 1101 CB ALA A 70 16.898 32.568 1.469 1.00 0.00 C ATOM 0 H ALA A 70 17.962 31.701 3.570 1.00 0.00 H new ATOM 0 HA ALA A 70 16.165 30.571 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 70 16.346 32.708 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.324 32.982 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 70 17.858 33.079 1.401 1.00 0.00 H new ATOM 1107 N GLN A 71 19.250 30.485 0.687 1.00 0.00 N ATOM 1108 CA GLN A 71 20.098 29.920 -0.405 1.00 0.00 C ATOM 1109 C GLN A 71 19.914 28.401 -0.449 1.00 0.00 C ATOM 1110 O GLN A 71 19.672 27.819 -1.487 1.00 0.00 O ATOM 1111 CB GLN A 71 21.568 30.251 -0.134 1.00 0.00 C ATOM 1112 CG GLN A 71 22.418 29.813 -1.327 1.00 0.00 C ATOM 1113 CD GLN A 71 22.487 30.947 -2.351 1.00 0.00 C ATOM 1114 OE1 GLN A 71 23.220 31.899 -2.172 1.00 0.00 O ATOM 1115 NE2 GLN A 71 21.746 30.888 -3.424 1.00 0.00 N ATOM 0 H GLN A 71 19.759 30.841 1.496 1.00 0.00 H new ATOM 0 HA GLN A 71 19.802 30.352 -1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 71 21.685 31.321 0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 71 21.905 29.745 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 71 23.422 29.549 -0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.989 28.922 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 71 21.130 30.089 -3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 71 21.783 31.641 -4.111 1.00 0.00 H new ATOM 1124 N GLN A 72 20.026 27.764 0.682 1.00 0.00 N ATOM 1125 CA GLN A 72 19.860 26.285 0.750 1.00 0.00 C ATOM 1126 C GLN A 72 18.440 25.906 0.310 1.00 0.00 C ATOM 1127 O GLN A 72 18.203 24.832 -0.209 1.00 0.00 O ATOM 1128 CB GLN A 72 20.123 25.837 2.196 1.00 0.00 C ATOM 1129 CG GLN A 72 21.640 25.748 2.419 1.00 0.00 C ATOM 1130 CD GLN A 72 22.212 24.605 1.579 1.00 0.00 C ATOM 1131 OE1 GLN A 72 21.525 23.646 1.288 1.00 0.00 O ATOM 1132 NE2 GLN A 72 23.451 24.666 1.175 1.00 0.00 N ATOM 0 H GLN A 72 20.229 28.212 1.576 1.00 0.00 H new ATOM 0 HA GLN A 72 20.564 25.788 0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.679 26.544 2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 72 19.657 24.869 2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.115 26.689 2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 72 21.854 25.580 3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.028 25.471 1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 72 23.843 23.909 0.615 1.00 0.00 H new ATOM 1141 N PHE A 73 17.498 26.780 0.520 1.00 0.00 N ATOM 1142 CA PHE A 73 16.090 26.489 0.126 1.00 0.00 C ATOM 1143 C PHE A 73 15.949 26.463 -1.403 1.00 0.00 C ATOM 1144 O PHE A 73 15.146 25.728 -1.939 1.00 0.00 O ATOM 1145 CB PHE A 73 15.174 27.577 0.695 1.00 0.00 C ATOM 1146 CG PHE A 73 13.733 27.171 0.505 1.00 0.00 C ATOM 1147 CD1 PHE A 73 13.092 26.391 1.474 1.00 0.00 C ATOM 1148 CD2 PHE A 73 13.036 27.578 -0.639 1.00 0.00 C ATOM 1149 CE1 PHE A 73 11.755 26.015 1.297 1.00 0.00 C ATOM 1150 CE2 PHE A 73 11.699 27.204 -0.816 1.00 0.00 C ATOM 1151 CZ PHE A 73 11.058 26.421 0.152 1.00 0.00 C ATOM 0 H PHE A 73 17.643 27.693 0.952 1.00 0.00 H new ATOM 0 HA PHE A 73 15.810 25.513 0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 73 15.384 27.727 1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 73 15.365 28.526 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.628 26.079 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 73 13.531 28.181 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.261 25.411 2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.162 27.519 -1.699 1.00 0.00 H new ATOM 0 HZ PHE A 73 10.027 26.130 0.016 1.00 0.00 H new ATOM 1161 N HIS A 74 16.703 27.263 -2.115 1.00 0.00 N ATOM 1162 CA HIS A 74 16.576 27.272 -3.600 1.00 0.00 C ATOM 1163 C HIS A 74 16.807 25.877 -4.145 1.00 0.00 C ATOM 1164 O HIS A 74 16.169 25.436 -5.077 1.00 0.00 O ATOM 1165 CB HIS A 74 17.603 28.235 -4.197 1.00 0.00 C ATOM 1166 CG HIS A 74 16.946 29.079 -5.253 1.00 0.00 C ATOM 1167 ND1 HIS A 74 16.068 28.547 -6.184 1.00 0.00 N ATOM 1168 CD2 HIS A 74 17.030 30.420 -5.540 1.00 0.00 C ATOM 1169 CE1 HIS A 74 15.661 29.554 -6.980 1.00 0.00 C ATOM 1170 NE2 HIS A 74 16.218 30.717 -6.632 1.00 0.00 N ATOM 0 H HIS A 74 17.396 27.906 -1.733 1.00 0.00 H new ATOM 0 HA HIS A 74 15.573 27.600 -3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.018 28.871 -3.415 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.434 27.676 -4.628 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.634 31.135 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.968 29.436 -7.800 1.00 0.00 H new ATOM 0 HE2 HIS A 74 16.079 31.627 -7.071 1.00 0.00 H new ATOM 1178 N ARG A 75 17.709 25.191 -3.555 1.00 0.00 N ATOM 1179 CA ARG A 75 18.011 23.800 -3.994 1.00 0.00 C ATOM 1180 C ARG A 75 16.832 22.902 -3.619 1.00 0.00 C ATOM 1181 O ARG A 75 16.556 21.911 -4.264 1.00 0.00 O ATOM 1182 CB ARG A 75 19.280 23.305 -3.295 1.00 0.00 C ATOM 1183 CG ARG A 75 20.455 23.367 -4.273 1.00 0.00 C ATOM 1184 CD ARG A 75 21.693 22.743 -3.626 1.00 0.00 C ATOM 1185 NE ARG A 75 22.835 23.695 -3.718 1.00 0.00 N ATOM 1186 CZ ARG A 75 23.539 23.765 -4.813 1.00 0.00 C ATOM 1187 NH1 ARG A 75 24.038 22.680 -5.338 1.00 0.00 N ATOM 1188 NH2 ARG A 75 23.745 24.921 -5.384 1.00 0.00 N ATOM 0 H ARG A 75 18.269 25.526 -2.771 1.00 0.00 H new ATOM 0 HA ARG A 75 18.168 23.775 -5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.489 23.919 -2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.139 22.283 -2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.205 22.836 -5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.658 24.402 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.489 22.503 -2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.945 21.807 -4.125 1.00 0.00 H new ATOM 0 HE ARG A 75 23.066 24.292 -2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 75 23.877 21.777 -4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.589 22.735 -6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.355 25.769 -4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 75 24.296 24.976 -6.241 1.00 0.00 H new ATOM 1202 N HIS A 76 16.144 23.248 -2.568 1.00 0.00 N ATOM 1203 CA HIS A 76 14.982 22.439 -2.117 1.00 0.00 C ATOM 1204 C HIS A 76 13.830 22.547 -3.121 1.00 0.00 C ATOM 1205 O HIS A 76 13.267 21.557 -3.545 1.00 0.00 O ATOM 1206 CB HIS A 76 14.506 23.003 -0.784 1.00 0.00 C ATOM 1207 CG HIS A 76 13.274 22.302 -0.327 1.00 0.00 C ATOM 1208 ND1 HIS A 76 13.020 20.965 -0.583 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.222 22.758 0.395 1.00 0.00 C ATOM 1210 CE1 HIS A 76 11.837 20.668 -0.009 1.00 0.00 C ATOM 1211 NE2 HIS A 76 11.305 21.731 0.603 1.00 0.00 N ATOM 0 H HIS A 76 16.342 24.069 -1.995 1.00 0.00 H new ATOM 0 HA HIS A 76 15.281 21.395 -2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.291 22.894 -0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.307 24.070 -0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.111 23.770 0.756 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.376 19.692 -0.040 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.422 21.779 1.111 1.00 0.00 H new ATOM 1219 N LYS A 77 13.463 23.744 -3.487 1.00 0.00 N ATOM 1220 CA LYS A 77 12.328 23.922 -4.445 1.00 0.00 C ATOM 1221 C LYS A 77 12.739 23.479 -5.852 1.00 0.00 C ATOM 1222 O LYS A 77 11.995 22.820 -6.544 1.00 0.00 O ATOM 1223 CB LYS A 77 11.863 25.402 -4.445 1.00 0.00 C ATOM 1224 CG LYS A 77 12.351 26.164 -5.688 1.00 0.00 C ATOM 1225 CD LYS A 77 11.520 25.752 -6.906 1.00 0.00 C ATOM 1226 CE LYS A 77 11.181 26.994 -7.734 1.00 0.00 C ATOM 1227 NZ LYS A 77 11.859 26.908 -9.058 1.00 0.00 N ATOM 0 H LYS A 77 13.898 24.609 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 77 11.494 23.297 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.774 25.439 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.234 25.898 -3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.266 27.238 -5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.405 25.951 -5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.075 25.037 -7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.605 25.255 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.102 27.070 -7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.500 27.893 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.629 27.752 -9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.888 26.855 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.534 26.057 -9.560 1.00 0.00 H new ATOM 1241 N GLN A 78 13.896 23.880 -6.284 1.00 0.00 N ATOM 1242 CA GLN A 78 14.356 23.535 -7.667 1.00 0.00 C ATOM 1243 C GLN A 78 14.610 22.030 -7.826 1.00 0.00 C ATOM 1244 O GLN A 78 14.207 21.431 -8.804 1.00 0.00 O ATOM 1245 CB GLN A 78 15.649 24.294 -7.969 1.00 0.00 C ATOM 1246 CG GLN A 78 16.127 23.946 -9.380 1.00 0.00 C ATOM 1247 CD GLN A 78 17.458 23.196 -9.299 1.00 0.00 C ATOM 1248 OE1 GLN A 78 17.900 22.835 -8.225 1.00 0.00 O ATOM 1249 NE2 GLN A 78 18.120 22.946 -10.394 1.00 0.00 N ATOM 0 H GLN A 78 14.554 24.437 -5.739 1.00 0.00 H new ATOM 0 HA GLN A 78 13.568 23.820 -8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.481 25.368 -7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.415 24.033 -7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.382 23.332 -9.886 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.245 24.855 -9.970 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.749 23.249 -11.295 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.009 22.448 -10.350 1.00 0.00 H new ATOM 1258 N LEU A 79 15.284 21.415 -6.897 1.00 0.00 N ATOM 1259 CA LEU A 79 15.572 19.961 -7.029 1.00 0.00 C ATOM 1260 C LEU A 79 14.291 19.172 -6.847 1.00 0.00 C ATOM 1261 O LEU A 79 13.974 18.341 -7.652 1.00 0.00 O ATOM 1262 CB LEU A 79 16.599 19.530 -5.978 1.00 0.00 C ATOM 1263 CG LEU A 79 17.986 20.033 -6.383 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.731 20.530 -5.143 1.00 0.00 C ATOM 1265 CD2 LEU A 79 18.773 18.887 -7.024 1.00 0.00 C ATOM 0 H LEU A 79 15.648 21.856 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 79 15.980 19.767 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.326 19.931 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.607 18.444 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 79 17.883 20.851 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.719 20.888 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 79 18.170 21.344 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.836 19.713 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.762 19.242 -7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.876 18.071 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.242 18.530 -7.907 1.00 0.00 H new ATOM 1277 N ILE A 80 13.550 19.426 -5.806 1.00 0.00 N ATOM 1278 CA ILE A 80 12.278 18.676 -5.615 1.00 0.00 C ATOM 1279 C ILE A 80 11.343 18.982 -6.794 1.00 0.00 C ATOM 1280 O ILE A 80 10.539 18.162 -7.183 1.00 0.00 O ATOM 1281 CB ILE A 80 11.624 19.111 -4.300 1.00 0.00 C ATOM 1282 CG1 ILE A 80 12.238 18.298 -3.153 1.00 0.00 C ATOM 1283 CG2 ILE A 80 10.107 18.866 -4.353 1.00 0.00 C ATOM 1284 CD1 ILE A 80 11.323 18.337 -1.929 1.00 0.00 C ATOM 0 H ILE A 80 13.767 20.114 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 80 12.475 17.605 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 80 11.798 20.175 -4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.390 17.266 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 80 13.218 18.700 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.655 19.180 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.674 19.440 -5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.915 17.805 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.770 17.756 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.193 19.369 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 80 10.352 17.913 -2.187 1.00 0.00 H new ATOM 1296 N ARG A 81 11.448 20.153 -7.374 1.00 0.00 N ATOM 1297 CA ARG A 81 10.572 20.482 -8.528 1.00 0.00 C ATOM 1298 C ARG A 81 10.932 19.530 -9.656 1.00 0.00 C ATOM 1299 O ARG A 81 10.093 18.854 -10.217 1.00 0.00 O ATOM 1300 CB ARG A 81 10.837 21.918 -8.967 1.00 0.00 C ATOM 1301 CG ARG A 81 9.660 22.806 -8.560 1.00 0.00 C ATOM 1302 CD ARG A 81 8.455 22.498 -9.450 1.00 0.00 C ATOM 1303 NE ARG A 81 8.367 23.511 -10.537 1.00 0.00 N ATOM 1304 CZ ARG A 81 7.203 23.842 -11.029 1.00 0.00 C ATOM 1305 NH1 ARG A 81 6.183 24.013 -10.233 1.00 0.00 N ATOM 1306 NH2 ARG A 81 7.061 24.003 -12.316 1.00 0.00 N ATOM 0 H ARG A 81 12.100 20.887 -7.096 1.00 0.00 H new ATOM 0 HA ARG A 81 9.520 20.383 -8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.757 22.284 -8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.979 21.958 -10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.406 22.634 -7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.935 23.857 -8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.550 21.499 -9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.540 22.505 -8.857 1.00 0.00 H new ATOM 0 HE ARG A 81 9.216 23.947 -10.898 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.295 23.888 -9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.274 24.271 -10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.859 23.870 -12.938 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.152 24.261 -12.700 1.00 0.00 H new ATOM 1320 N PHE A 82 12.196 19.441 -9.956 1.00 0.00 N ATOM 1321 CA PHE A 82 12.654 18.512 -10.992 1.00 0.00 C ATOM 1322 C PHE A 82 12.375 17.097 -10.481 1.00 0.00 C ATOM 1323 O PHE A 82 12.151 16.180 -11.246 1.00 0.00 O ATOM 1324 CB PHE A 82 14.146 18.751 -11.221 1.00 0.00 C ATOM 1325 CG PHE A 82 14.330 19.680 -12.397 1.00 0.00 C ATOM 1326 CD1 PHE A 82 14.038 21.042 -12.265 1.00 0.00 C ATOM 1327 CD2 PHE A 82 14.792 19.179 -13.620 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.208 21.905 -13.354 1.00 0.00 C ATOM 1329 CE2 PHE A 82 14.964 20.041 -14.710 1.00 0.00 C ATOM 1330 CZ PHE A 82 14.672 21.404 -14.577 1.00 0.00 C ATOM 0 H PHE A 82 12.934 19.987 -9.513 1.00 0.00 H new ATOM 0 HA PHE A 82 12.141 18.655 -11.943 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.598 19.183 -10.328 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.653 17.804 -11.408 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.681 21.428 -11.322 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.016 18.127 -13.723 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.982 22.956 -13.251 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.322 19.655 -15.653 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.805 22.069 -15.418 1.00 0.00 H new ATOM 1340 N LEU A 83 12.367 16.921 -9.179 1.00 0.00 N ATOM 1341 CA LEU A 83 12.080 15.587 -8.601 1.00 0.00 C ATOM 1342 C LEU A 83 10.644 15.207 -8.938 1.00 0.00 C ATOM 1343 O LEU A 83 10.309 14.052 -9.113 1.00 0.00 O ATOM 1344 CB LEU A 83 12.261 15.677 -7.087 1.00 0.00 C ATOM 1345 CG LEU A 83 13.748 15.550 -6.753 1.00 0.00 C ATOM 1346 CD1 LEU A 83 13.955 15.597 -5.238 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.272 14.222 -7.289 1.00 0.00 C ATOM 0 H LEU A 83 12.549 17.656 -8.495 1.00 0.00 H new ATOM 0 HA LEU A 83 12.752 14.831 -9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.872 16.626 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.696 14.887 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 83 14.288 16.378 -7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.018 15.506 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.582 16.544 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.413 14.774 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.332 14.127 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.723 13.401 -6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.136 14.187 -8.370 1.00 0.00 H new ATOM 1359 N LYS A 84 9.809 16.188 -9.048 1.00 0.00 N ATOM 1360 CA LYS A 84 8.385 15.938 -9.398 1.00 0.00 C ATOM 1361 C LYS A 84 8.318 15.497 -10.856 1.00 0.00 C ATOM 1362 O LYS A 84 7.655 14.539 -11.190 1.00 0.00 O ATOM 1363 CB LYS A 84 7.572 17.220 -9.208 1.00 0.00 C ATOM 1364 CG LYS A 84 6.122 16.970 -9.625 1.00 0.00 C ATOM 1365 CD LYS A 84 5.933 17.373 -11.089 1.00 0.00 C ATOM 1366 CE LYS A 84 4.439 17.414 -11.418 1.00 0.00 C ATOM 1367 NZ LYS A 84 3.767 18.416 -10.541 1.00 0.00 N ATOM 0 H LYS A 84 10.051 17.169 -8.909 1.00 0.00 H new ATOM 0 HA LYS A 84 7.972 15.163 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.612 17.538 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.999 18.026 -9.804 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.871 15.918 -9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.446 17.542 -8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.383 18.349 -11.270 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.441 16.662 -11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.293 17.675 -12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.995 16.429 -11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.083 18.964 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.269 17.925 -9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.479 19.058 -10.139 1.00 0.00 H new ATOM 1381 N ARG A 85 9.011 16.176 -11.729 1.00 0.00 N ATOM 1382 CA ARG A 85 8.985 15.762 -13.156 1.00 0.00 C ATOM 1383 C ARG A 85 9.501 14.333 -13.234 1.00 0.00 C ATOM 1384 O ARG A 85 9.064 13.534 -14.033 1.00 0.00 O ATOM 1385 CB ARG A 85 9.880 16.687 -13.983 1.00 0.00 C ATOM 1386 CG ARG A 85 9.345 18.118 -13.902 1.00 0.00 C ATOM 1387 CD ARG A 85 10.347 19.076 -14.550 1.00 0.00 C ATOM 1388 NE ARG A 85 10.643 18.621 -15.938 1.00 0.00 N ATOM 1389 CZ ARG A 85 9.958 19.100 -16.941 1.00 0.00 C ATOM 1390 NH1 ARG A 85 8.760 18.648 -17.188 1.00 0.00 N ATOM 1391 NH2 ARG A 85 10.474 20.030 -17.697 1.00 0.00 N ATOM 0 H ARG A 85 9.587 16.990 -11.517 1.00 0.00 H new ATOM 0 HA ARG A 85 7.971 15.822 -13.553 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.904 16.648 -13.611 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.905 16.355 -15.021 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.382 18.186 -14.407 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.180 18.397 -12.861 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.941 20.087 -14.566 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.265 19.110 -13.964 1.00 0.00 H new ATOM 0 HE ARG A 85 11.380 17.936 -16.104 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.358 17.920 -16.598 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.225 19.022 -17.972 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.412 20.382 -17.504 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.940 20.405 -18.481 1.00 0.00 H new ATOM 1405 N LEU A 86 10.432 14.023 -12.390 1.00 0.00 N ATOM 1406 CA LEU A 86 11.009 12.651 -12.361 1.00 0.00 C ATOM 1407 C LEU A 86 9.984 11.651 -11.804 1.00 0.00 C ATOM 1408 O LEU A 86 9.947 10.508 -12.211 1.00 0.00 O ATOM 1409 CB LEU A 86 12.257 12.646 -11.473 1.00 0.00 C ATOM 1410 CG LEU A 86 13.092 11.399 -11.769 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.376 11.318 -13.270 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.416 11.481 -11.005 1.00 0.00 C ATOM 0 H LEU A 86 10.828 14.668 -11.706 1.00 0.00 H new ATOM 0 HA LEU A 86 11.273 12.357 -13.377 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.848 13.544 -11.654 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.968 12.662 -10.422 1.00 0.00 H new ATOM 0 HG LEU A 86 12.543 10.511 -11.455 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.971 10.429 -13.480 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.434 11.262 -13.816 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.925 12.205 -13.585 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.013 10.593 -11.215 1.00 0.00 H new ATOM 0 HD22 LEU A 86 14.964 12.369 -11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.216 11.539 -9.935 1.00 0.00 H new ATOM 1424 N ASP A 87 9.159 12.056 -10.869 1.00 0.00 N ATOM 1425 CA ASP A 87 8.164 11.108 -10.297 1.00 0.00 C ATOM 1426 C ASP A 87 7.086 10.790 -11.320 1.00 0.00 C ATOM 1427 O ASP A 87 6.772 9.648 -11.593 1.00 0.00 O ATOM 1428 CB ASP A 87 7.496 11.784 -9.122 1.00 0.00 C ATOM 1429 CG ASP A 87 7.053 10.732 -8.106 1.00 0.00 C ATOM 1430 OD1 ASP A 87 7.883 9.919 -7.731 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.896 10.758 -7.723 1.00 0.00 O ATOM 0 H ASP A 87 9.135 12.999 -10.481 1.00 0.00 H new ATOM 0 HA ASP A 87 8.671 10.189 -10.003 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.185 12.487 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.635 12.360 -9.462 1.00 0.00 H new ATOM 1436 N ARG A 88 6.512 11.810 -11.867 1.00 0.00 N ATOM 1437 CA ARG A 88 5.422 11.622 -12.871 1.00 0.00 C ATOM 1438 C ARG A 88 5.969 10.950 -14.139 1.00 0.00 C ATOM 1439 O ARG A 88 5.391 10.015 -14.657 1.00 0.00 O ATOM 1440 CB ARG A 88 4.842 12.988 -13.241 1.00 0.00 C ATOM 1441 CG ARG A 88 3.818 13.410 -12.184 1.00 0.00 C ATOM 1442 CD ARG A 88 2.495 12.687 -12.439 1.00 0.00 C ATOM 1443 NE ARG A 88 1.790 12.471 -11.144 1.00 0.00 N ATOM 1444 CZ ARG A 88 0.668 13.092 -10.899 1.00 0.00 C ATOM 1445 NH1 ARG A 88 0.604 14.391 -11.009 1.00 0.00 N ATOM 1446 NH2 ARG A 88 -0.389 12.414 -10.545 1.00 0.00 N ATOM 0 H ARG A 88 6.747 12.782 -11.665 1.00 0.00 H new ATOM 0 HA ARG A 88 4.649 10.986 -12.439 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.639 13.728 -13.306 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.370 12.941 -14.222 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.189 13.171 -11.187 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.668 14.489 -12.218 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.871 13.275 -13.112 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.679 11.731 -12.929 1.00 0.00 H new ATOM 0 HE ARG A 88 2.184 11.838 -10.449 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.430 14.921 -11.286 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.272 14.876 -10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.339 11.399 -10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.266 12.899 -10.354 1.00 0.00 H new ATOM 1460 N ASN A 89 7.063 11.440 -14.651 1.00 0.00 N ATOM 1461 CA ASN A 89 7.646 10.863 -15.901 1.00 0.00 C ATOM 1462 C ASN A 89 8.234 9.469 -15.649 1.00 0.00 C ATOM 1463 O ASN A 89 8.267 8.641 -16.536 1.00 0.00 O ATOM 1464 CB ASN A 89 8.747 11.791 -16.418 1.00 0.00 C ATOM 1465 CG ASN A 89 8.118 13.080 -16.949 1.00 0.00 C ATOM 1466 OD1 ASN A 89 7.421 13.770 -16.233 1.00 0.00 O ATOM 1467 ND2 ASN A 89 8.337 13.437 -18.184 1.00 0.00 N ATOM 0 H ASN A 89 7.585 12.222 -14.256 1.00 0.00 H new ATOM 0 HA ASN A 89 6.850 10.770 -16.640 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.451 12.020 -15.617 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.313 11.297 -17.208 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.923 14.295 -18.548 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.922 12.858 -18.786 1.00 0.00 H new ATOM 1474 N LEU A 90 8.709 9.199 -14.467 1.00 0.00 N ATOM 1475 CA LEU A 90 9.294 7.855 -14.199 1.00 0.00 C ATOM 1476 C LEU A 90 8.255 6.772 -14.505 1.00 0.00 C ATOM 1477 O LEU A 90 8.592 5.670 -14.890 1.00 0.00 O ATOM 1478 CB LEU A 90 9.706 7.766 -12.732 1.00 0.00 C ATOM 1479 CG LEU A 90 11.190 8.112 -12.597 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.632 7.914 -11.147 1.00 0.00 C ATOM 1481 CD2 LEU A 90 12.004 7.197 -13.509 1.00 0.00 C ATOM 0 H LEU A 90 8.718 9.846 -13.678 1.00 0.00 H new ATOM 0 HA LEU A 90 10.168 7.706 -14.833 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.106 8.451 -12.133 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.520 6.762 -12.351 1.00 0.00 H new ATOM 0 HG LEU A 90 11.351 9.151 -12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.689 8.161 -11.052 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.048 8.565 -10.496 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.474 6.875 -10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.063 7.440 -13.417 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.843 6.158 -13.220 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.688 7.339 -14.543 1.00 0.00 H new ATOM 1493 N TRP A 91 6.995 7.075 -14.345 1.00 0.00 N ATOM 1494 CA TRP A 91 5.944 6.068 -14.629 1.00 0.00 C ATOM 1495 C TRP A 91 6.022 5.675 -16.106 1.00 0.00 C ATOM 1496 O TRP A 91 5.796 4.539 -16.465 1.00 0.00 O ATOM 1497 CB TRP A 91 4.576 6.672 -14.299 1.00 0.00 C ATOM 1498 CG TRP A 91 4.391 6.690 -12.825 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.212 7.802 -12.095 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.354 5.571 -11.896 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.074 7.448 -10.764 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.154 6.079 -10.591 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.476 4.179 -12.056 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.076 5.236 -9.483 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.400 3.327 -10.942 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.199 3.854 -9.659 1.00 0.00 C ATOM 0 H TRP A 91 6.651 7.982 -14.028 1.00 0.00 H new ATOM 0 HA TRP A 91 6.090 5.176 -14.020 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.506 7.684 -14.698 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.785 6.088 -14.769 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.181 8.809 -12.483 1.00 0.00 H new ATOM 0 HE1 TRP A 91 3.931 8.114 -10.005 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.629 3.763 -13.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 3.922 5.647 -8.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.497 2.260 -11.075 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.139 3.193 -8.807 1.00 0.00 H new ATOM 1517 N GLY A 92 6.359 6.602 -16.968 1.00 0.00 N ATOM 1518 CA GLY A 92 6.473 6.266 -18.413 1.00 0.00 C ATOM 1519 C GLY A 92 7.704 5.382 -18.624 1.00 0.00 C ATOM 1520 O GLY A 92 7.668 4.398 -19.335 1.00 0.00 O ATOM 0 H GLY A 92 6.559 7.574 -16.730 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.575 5.748 -18.751 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.558 7.177 -19.006 1.00 0.00 H new ATOM 1524 N LEU A 93 8.797 5.743 -18.010 1.00 0.00 N ATOM 1525 CA LEU A 93 10.048 4.963 -18.153 1.00 0.00 C ATOM 1526 C LEU A 93 9.803 3.486 -17.803 1.00 0.00 C ATOM 1527 O LEU A 93 10.324 2.598 -18.446 1.00 0.00 O ATOM 1528 CB LEU A 93 11.090 5.571 -17.214 1.00 0.00 C ATOM 1529 CG LEU A 93 12.514 5.334 -17.735 1.00 0.00 C ATOM 1530 CD1 LEU A 93 12.599 4.072 -18.603 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.950 6.551 -18.554 1.00 0.00 C ATOM 0 H LEU A 93 8.872 6.561 -17.405 1.00 0.00 H new ATOM 0 HA LEU A 93 10.402 5.003 -19.183 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.911 6.641 -17.112 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.986 5.135 -16.221 1.00 0.00 H new ATOM 0 HG LEU A 93 13.174 5.191 -16.879 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.623 3.939 -18.953 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.301 3.205 -18.014 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.933 4.174 -19.460 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.961 6.394 -18.929 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.268 6.688 -19.393 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.932 7.440 -17.923 1.00 0.00 H new ATOM 1543 N ALA A 94 9.016 3.209 -16.793 1.00 0.00 N ATOM 1544 CA ALA A 94 8.757 1.789 -16.420 1.00 0.00 C ATOM 1545 C ALA A 94 7.722 1.183 -17.372 1.00 0.00 C ATOM 1546 O ALA A 94 7.959 0.168 -17.998 1.00 0.00 O ATOM 1547 CB ALA A 94 8.224 1.728 -14.987 1.00 0.00 C ATOM 0 H ALA A 94 8.544 3.904 -16.214 1.00 0.00 H new ATOM 0 HA ALA A 94 9.687 1.224 -16.491 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.034 0.690 -14.713 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.961 2.154 -14.306 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.296 2.296 -14.919 1.00 0.00 H new ATOM 1553 N GLY A 95 6.577 1.799 -17.490 1.00 0.00 N ATOM 1554 CA GLY A 95 5.530 1.259 -18.402 1.00 0.00 C ATOM 1555 C GLY A 95 4.388 0.642 -17.585 1.00 0.00 C ATOM 1556 O GLY A 95 3.309 0.414 -18.092 1.00 0.00 O ATOM 0 H GLY A 95 6.322 2.653 -16.994 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.144 2.056 -19.038 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.963 0.507 -19.061 1.00 0.00 H new ATOM 1560 N LEU A 96 4.611 0.368 -16.325 1.00 0.00 N ATOM 1561 CA LEU A 96 3.535 -0.230 -15.492 1.00 0.00 C ATOM 1562 C LEU A 96 3.093 0.786 -14.435 1.00 0.00 C ATOM 1563 O LEU A 96 3.754 1.777 -14.198 1.00 0.00 O ATOM 1564 CB LEU A 96 4.076 -1.475 -14.797 1.00 0.00 C ATOM 1565 CG LEU A 96 2.951 -2.495 -14.614 1.00 0.00 C ATOM 1566 CD1 LEU A 96 2.590 -3.104 -15.970 1.00 0.00 C ATOM 1567 CD2 LEU A 96 3.414 -3.601 -13.663 1.00 0.00 C ATOM 0 H LEU A 96 5.493 0.534 -15.841 1.00 0.00 H new ATOM 0 HA LEU A 96 2.686 -0.498 -16.121 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.882 -1.911 -15.387 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.498 -1.208 -13.828 1.00 0.00 H new ATOM 0 HG LEU A 96 2.076 -2.000 -14.194 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.788 -3.831 -15.840 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.259 -2.316 -16.646 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.465 -3.600 -16.391 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.612 -4.328 -13.533 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.290 -4.098 -14.081 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.670 -3.166 -12.697 1.00 0.00 H new ATOM 1579 N ASN A 97 1.978 0.546 -13.798 1.00 0.00 N ATOM 1580 CA ASN A 97 1.493 1.495 -12.758 1.00 0.00 C ATOM 1581 C ASN A 97 0.857 0.709 -11.609 1.00 0.00 C ATOM 1582 O ASN A 97 -0.172 1.084 -11.082 1.00 0.00 O ATOM 1583 CB ASN A 97 0.450 2.430 -13.374 1.00 0.00 C ATOM 1584 CG ASN A 97 0.767 3.876 -12.982 1.00 0.00 C ATOM 1585 OD1 ASN A 97 0.794 4.209 -11.814 1.00 0.00 O ATOM 1586 ND2 ASN A 97 1.008 4.754 -13.917 1.00 0.00 N ATOM 0 H ASN A 97 1.383 -0.267 -13.954 1.00 0.00 H new ATOM 0 HA ASN A 97 2.330 2.081 -12.378 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.450 2.328 -14.459 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.547 2.158 -13.028 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.219 5.720 -13.667 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.985 4.474 -14.898 1.00 0.00 H new ATOM 1593 N SER A 98 1.462 -0.378 -11.217 1.00 0.00 N ATOM 1594 CA SER A 98 0.894 -1.189 -10.102 1.00 0.00 C ATOM 1595 C SER A 98 1.786 -2.406 -9.855 1.00 0.00 C ATOM 1596 O SER A 98 1.394 -3.532 -10.089 1.00 0.00 O ATOM 1597 CB SER A 98 -0.514 -1.655 -10.476 1.00 0.00 C ATOM 1598 OG SER A 98 -0.991 -2.557 -9.490 1.00 0.00 O ATOM 0 H SER A 98 2.326 -0.740 -11.620 1.00 0.00 H new ATOM 0 HA SER A 98 0.846 -0.583 -9.197 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.183 -0.798 -10.555 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.501 -2.140 -11.452 1.00 0.00 H new ATOM 0 HG SER A 98 -0.444 -3.370 -9.498 1.00 0.00 H new ATOM 1604 N CYS A 99 2.985 -2.190 -9.388 1.00 0.00 N ATOM 1605 CA CYS A 99 3.904 -3.303 -9.128 1.00 0.00 C ATOM 1606 C CYS A 99 3.882 -3.564 -7.603 1.00 0.00 C ATOM 1607 O CYS A 99 2.961 -3.137 -6.935 1.00 0.00 O ATOM 1608 CB CYS A 99 5.291 -2.873 -9.647 1.00 0.00 C ATOM 1609 SG CYS A 99 5.119 -1.799 -11.100 1.00 0.00 S ATOM 0 H CYS A 99 3.362 -1.266 -9.176 1.00 0.00 H new ATOM 0 HA CYS A 99 3.628 -4.230 -9.631 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.833 -2.348 -8.861 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.879 -3.754 -9.906 1.00 0.00 H new ATOM 1614 N PRO A 100 4.863 -4.260 -7.094 1.00 0.00 N ATOM 1615 CA PRO A 100 4.959 -4.602 -5.640 1.00 0.00 C ATOM 1616 C PRO A 100 5.460 -3.399 -4.834 1.00 0.00 C ATOM 1617 O PRO A 100 5.857 -2.391 -5.382 1.00 0.00 O ATOM 1618 CB PRO A 100 5.975 -5.734 -5.617 1.00 0.00 C ATOM 1619 CG PRO A 100 6.823 -5.589 -6.874 1.00 0.00 C ATOM 1620 CD PRO A 100 6.006 -4.779 -7.883 1.00 0.00 C ATOM 0 HA PRO A 100 4.002 -4.879 -5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 100 6.596 -5.678 -4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.475 -6.702 -5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.763 -5.085 -6.648 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.076 -6.568 -7.282 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.594 -3.968 -8.312 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.668 -5.401 -8.712 1.00 0.00 H new ATOM 1628 N VAL A 101 5.446 -3.503 -3.532 1.00 0.00 N ATOM 1629 CA VAL A 101 5.920 -2.373 -2.684 1.00 0.00 C ATOM 1630 C VAL A 101 6.026 -2.841 -1.233 1.00 0.00 C ATOM 1631 O VAL A 101 5.066 -2.809 -0.488 1.00 0.00 O ATOM 1632 CB VAL A 101 4.926 -1.212 -2.773 1.00 0.00 C ATOM 1633 CG1 VAL A 101 5.282 -0.324 -3.966 1.00 0.00 C ATOM 1634 CG2 VAL A 101 3.511 -1.764 -2.951 1.00 0.00 C ATOM 0 H VAL A 101 5.126 -4.324 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 101 6.897 -2.040 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 101 4.973 -0.623 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.574 0.502 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.290 0.071 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.236 -0.911 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.803 -0.937 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.463 -2.354 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.257 -2.395 -2.099 1.00 0.00 H new ATOM 1644 N LYS A 102 7.186 -3.275 -0.822 1.00 0.00 N ATOM 1645 CA LYS A 102 7.352 -3.742 0.582 1.00 0.00 C ATOM 1646 C LYS A 102 8.801 -3.545 1.008 1.00 0.00 C ATOM 1647 O LYS A 102 9.545 -4.487 1.198 1.00 0.00 O ATOM 1648 CB LYS A 102 6.982 -5.224 0.681 1.00 0.00 C ATOM 1649 CG LYS A 102 5.462 -5.377 0.616 1.00 0.00 C ATOM 1650 CD LYS A 102 5.082 -6.836 0.879 1.00 0.00 C ATOM 1651 CE LYS A 102 4.598 -6.986 2.322 1.00 0.00 C ATOM 1652 NZ LYS A 102 4.497 -8.433 2.665 1.00 0.00 N ATOM 0 H LYS A 102 8.026 -3.326 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 102 6.697 -3.167 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.449 -5.781 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.360 -5.643 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.989 -4.729 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.096 -5.066 -0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.300 -7.149 0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.941 -7.484 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.289 -6.488 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.628 -6.504 2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.168 -8.535 3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.822 -8.896 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.431 -8.879 2.565 1.00 0.00 H new ATOM 1666 N GLU A 103 9.203 -2.319 1.157 1.00 0.00 N ATOM 1667 CA GLU A 103 10.606 -2.033 1.573 1.00 0.00 C ATOM 1668 C GLU A 103 10.612 -1.487 3.002 1.00 0.00 C ATOM 1669 O GLU A 103 10.454 -0.303 3.226 1.00 0.00 O ATOM 1670 CB GLU A 103 11.219 -1.000 0.626 1.00 0.00 C ATOM 1671 CG GLU A 103 11.346 -1.603 -0.774 1.00 0.00 C ATOM 1672 CD GLU A 103 12.008 -2.980 -0.680 1.00 0.00 C ATOM 1673 OE1 GLU A 103 11.310 -3.930 -0.368 1.00 0.00 O ATOM 1674 OE2 GLU A 103 13.201 -3.059 -0.923 1.00 0.00 O ATOM 0 H GLU A 103 8.620 -1.495 1.009 1.00 0.00 H new ATOM 0 HA GLU A 103 11.192 -2.951 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.596 -0.106 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.199 -0.692 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.362 -1.692 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.938 -0.946 -1.412 1.00 0.00 H new ATOM 1681 N ALA A 104 10.793 -2.342 3.969 1.00 0.00 N ATOM 1682 CA ALA A 104 10.810 -1.875 5.385 1.00 0.00 C ATOM 1683 C ALA A 104 12.206 -1.358 5.736 1.00 0.00 C ATOM 1684 O ALA A 104 12.495 -1.050 6.875 1.00 0.00 O ATOM 1685 CB ALA A 104 10.451 -3.039 6.310 1.00 0.00 C ATOM 0 H ALA A 104 10.930 -3.345 3.841 1.00 0.00 H new ATOM 0 HA ALA A 104 10.083 -1.072 5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.463 -2.698 7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.456 -3.408 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.178 -3.842 6.184 1.00 0.00 H new ATOM 1691 N ASN A 105 13.074 -1.257 4.766 1.00 0.00 N ATOM 1692 CA ASN A 105 14.450 -0.756 5.048 1.00 0.00 C ATOM 1693 C ASN A 105 14.508 0.748 4.772 1.00 0.00 C ATOM 1694 O ASN A 105 13.520 1.361 4.423 1.00 0.00 O ATOM 1695 CB ASN A 105 15.455 -1.482 4.151 1.00 0.00 C ATOM 1696 CG ASN A 105 16.718 -1.801 4.953 1.00 0.00 C ATOM 1697 OD1 ASN A 105 17.567 -0.952 5.135 1.00 0.00 O ATOM 1698 ND2 ASN A 105 16.878 -3.000 5.443 1.00 0.00 N ATOM 0 H ASN A 105 12.890 -1.499 3.792 1.00 0.00 H new ATOM 0 HA ASN A 105 14.699 -0.944 6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.015 -2.401 3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.705 -0.861 3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.716 -3.224 5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.165 -3.713 5.290 1.00 0.00 H new ATOM 1705 N GLN A 106 15.658 1.346 4.922 1.00 0.00 N ATOM 1706 CA GLN A 106 15.770 2.810 4.665 1.00 0.00 C ATOM 1707 C GLN A 106 17.204 3.152 4.254 1.00 0.00 C ATOM 1708 O GLN A 106 18.119 2.377 4.454 1.00 0.00 O ATOM 1709 CB GLN A 106 15.405 3.581 5.935 1.00 0.00 C ATOM 1710 CG GLN A 106 16.479 3.354 7.002 1.00 0.00 C ATOM 1711 CD GLN A 106 16.264 4.330 8.159 1.00 0.00 C ATOM 1712 OE1 GLN A 106 15.314 4.205 8.907 1.00 0.00 O ATOM 1713 NE2 GLN A 106 17.115 5.303 8.341 1.00 0.00 N ATOM 0 H GLN A 106 16.522 0.887 5.210 1.00 0.00 H new ATOM 0 HA GLN A 106 15.088 3.089 3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.317 4.645 5.714 1.00 0.00 H new ATOM 0 HB3 GLN A 106 14.434 3.251 6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 106 16.434 2.327 7.365 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.470 3.497 6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 106 17.912 5.408 7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 106 16.983 5.959 9.111 1.00 0.00 H new ATOM 1722 N SER A 107 17.406 4.307 3.680 1.00 0.00 N ATOM 1723 CA SER A 107 18.779 4.696 3.254 1.00 0.00 C ATOM 1724 C SER A 107 18.838 6.212 3.046 1.00 0.00 C ATOM 1725 O SER A 107 17.894 6.924 3.322 1.00 0.00 O ATOM 1726 CB SER A 107 19.120 3.984 1.943 1.00 0.00 C ATOM 1727 OG SER A 107 20.492 3.615 1.949 1.00 0.00 O ATOM 0 H SER A 107 16.680 4.997 3.488 1.00 0.00 H new ATOM 0 HA SER A 107 19.497 4.409 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 107 18.495 3.099 1.824 1.00 0.00 H new ATOM 0 HB3 SER A 107 18.912 4.638 1.096 1.00 0.00 H new ATOM 0 HG SER A 107 20.642 2.903 1.293 1.00 0.00 H new ATOM 1733 N THR A 108 19.941 6.709 2.554 1.00 0.00 N ATOM 1734 CA THR A 108 20.066 8.175 2.319 1.00 0.00 C ATOM 1735 C THR A 108 19.761 8.452 0.842 1.00 0.00 C ATOM 1736 O THR A 108 20.101 7.666 -0.019 1.00 0.00 O ATOM 1737 CB THR A 108 21.504 8.603 2.672 1.00 0.00 C ATOM 1738 OG1 THR A 108 21.558 8.963 4.045 1.00 0.00 O ATOM 1739 CG2 THR A 108 21.939 9.796 1.818 1.00 0.00 C ATOM 0 H THR A 108 20.763 6.160 2.304 1.00 0.00 H new ATOM 0 HA THR A 108 19.368 8.739 2.938 1.00 0.00 H new ATOM 0 HB THR A 108 22.178 7.769 2.474 1.00 0.00 H new ATOM 0 HG1 THR A 108 22.486 8.925 4.357 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.957 10.082 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.902 9.521 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.268 10.636 1.998 1.00 0.00 H new ATOM 1747 N LEU A 109 19.114 9.546 0.532 1.00 0.00 N ATOM 1748 CA LEU A 109 18.801 9.812 -0.900 1.00 0.00 C ATOM 1749 C LEU A 109 20.082 9.849 -1.723 1.00 0.00 C ATOM 1750 O LEU A 109 20.076 9.488 -2.877 1.00 0.00 O ATOM 1751 CB LEU A 109 18.070 11.130 -1.085 1.00 0.00 C ATOM 1752 CG LEU A 109 17.568 11.139 -2.527 1.00 0.00 C ATOM 1753 CD1 LEU A 109 16.187 11.768 -2.610 1.00 0.00 C ATOM 1754 CD2 LEU A 109 18.540 11.924 -3.390 1.00 0.00 C ATOM 0 H LEU A 109 18.795 10.253 1.195 1.00 0.00 H new ATOM 0 HA LEU A 109 18.155 9.002 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.240 11.217 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 109 18.735 11.973 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 109 17.501 10.111 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 109 15.847 11.765 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 109 15.490 11.197 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 109 16.232 12.795 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 109 18.186 11.933 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 109 18.610 12.947 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 109 19.523 11.456 -3.349 1.00 0.00 H new ATOM 1766 N GLU A 110 21.183 10.268 -1.160 1.00 0.00 N ATOM 1767 CA GLU A 110 22.433 10.296 -1.968 1.00 0.00 C ATOM 1768 C GLU A 110 22.553 8.945 -2.663 1.00 0.00 C ATOM 1769 O GLU A 110 22.921 8.854 -3.818 1.00 0.00 O ATOM 1770 CB GLU A 110 23.641 10.514 -1.054 1.00 0.00 C ATOM 1771 CG GLU A 110 24.769 11.173 -1.850 1.00 0.00 C ATOM 1772 CD GLU A 110 25.701 10.095 -2.406 1.00 0.00 C ATOM 1773 OE1 GLU A 110 26.499 9.578 -1.641 1.00 0.00 O ATOM 1774 OE2 GLU A 110 25.601 9.805 -3.587 1.00 0.00 O ATOM 0 H GLU A 110 21.271 10.586 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 110 22.403 11.107 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.362 11.143 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.978 9.561 -0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.354 11.766 -2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.328 11.857 -1.211 1.00 0.00 H new ATOM 1781 N ASN A 111 22.206 7.896 -1.974 1.00 0.00 N ATOM 1782 CA ASN A 111 22.251 6.550 -2.592 1.00 0.00 C ATOM 1783 C ASN A 111 21.128 6.444 -3.628 1.00 0.00 C ATOM 1784 O ASN A 111 21.344 6.006 -4.717 1.00 0.00 O ATOM 1785 CB ASN A 111 22.072 5.475 -1.514 1.00 0.00 C ATOM 1786 CG ASN A 111 21.791 4.128 -2.181 1.00 0.00 C ATOM 1787 OD1 ASN A 111 22.319 3.838 -3.236 1.00 0.00 O ATOM 1788 ND2 ASN A 111 20.976 3.285 -1.607 1.00 0.00 N ATOM 0 H ASN A 111 21.892 7.916 -1.004 1.00 0.00 H new ATOM 0 HA ASN A 111 23.215 6.399 -3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 111 22.969 5.408 -0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.250 5.743 -0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 111 20.783 2.384 -2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 111 20.532 3.527 -0.721 1.00 0.00 H new ATOM 1795 N PHE A 112 19.930 6.847 -3.304 1.00 0.00 N ATOM 1796 CA PHE A 112 18.822 6.748 -4.305 1.00 0.00 C ATOM 1797 C PHE A 112 19.276 7.333 -5.639 1.00 0.00 C ATOM 1798 O PHE A 112 18.969 6.813 -6.685 1.00 0.00 O ATOM 1799 CB PHE A 112 17.618 7.558 -3.802 1.00 0.00 C ATOM 1800 CG PHE A 112 16.411 7.278 -4.671 1.00 0.00 C ATOM 1801 CD1 PHE A 112 15.798 6.020 -4.641 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.907 8.280 -5.513 1.00 0.00 C ATOM 1803 CE1 PHE A 112 14.684 5.763 -5.450 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.795 8.022 -6.322 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.182 6.764 -6.290 1.00 0.00 C ATOM 0 H PHE A 112 19.668 7.238 -2.399 1.00 0.00 H new ATOM 0 HA PHE A 112 18.550 5.701 -4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.400 7.297 -2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.851 8.623 -3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.184 5.247 -3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 112 16.378 9.252 -5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.212 4.792 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.409 8.794 -6.972 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.322 6.566 -6.913 1.00 0.00 H new ATOM 1815 N LEU A 113 19.993 8.408 -5.621 1.00 0.00 N ATOM 1816 CA LEU A 113 20.458 8.994 -6.899 1.00 0.00 C ATOM 1817 C LEU A 113 21.542 8.081 -7.495 1.00 0.00 C ATOM 1818 O LEU A 113 21.636 7.917 -8.694 1.00 0.00 O ATOM 1819 CB LEU A 113 21.008 10.398 -6.640 1.00 0.00 C ATOM 1820 CG LEU A 113 19.869 11.317 -6.172 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.448 12.670 -5.754 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.881 11.523 -7.322 1.00 0.00 C ATOM 0 H LEU A 113 20.279 8.908 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 113 19.633 9.073 -7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.792 10.359 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 113 21.461 10.796 -7.548 1.00 0.00 H new ATOM 0 HG LEU A 113 19.356 10.862 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.642 13.324 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 113 21.158 12.526 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.958 13.126 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 113 18.071 12.175 -6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.396 11.981 -8.166 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.471 10.560 -7.626 1.00 0.00 H new ATOM 1834 N GLU A 114 22.357 7.478 -6.661 1.00 0.00 N ATOM 1835 CA GLU A 114 23.428 6.566 -7.170 1.00 0.00 C ATOM 1836 C GLU A 114 22.798 5.273 -7.710 1.00 0.00 C ATOM 1837 O GLU A 114 23.062 4.845 -8.814 1.00 0.00 O ATOM 1838 CB GLU A 114 24.359 6.221 -6.012 1.00 0.00 C ATOM 1839 CG GLU A 114 25.814 6.313 -6.463 1.00 0.00 C ATOM 1840 CD GLU A 114 25.985 5.584 -7.798 1.00 0.00 C ATOM 1841 OE1 GLU A 114 25.795 6.214 -8.825 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.304 4.406 -7.769 1.00 0.00 O ATOM 0 H GLU A 114 22.325 7.580 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 114 23.980 7.057 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.184 6.903 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.145 5.215 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.108 7.358 -6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.467 5.872 -5.710 1.00 0.00 H new ATOM 1849 N ARG A 115 21.968 4.664 -6.915 1.00 0.00 N ATOM 1850 CA ARG A 115 21.283 3.403 -7.300 1.00 0.00 C ATOM 1851 C ARG A 115 20.373 3.663 -8.495 1.00 0.00 C ATOM 1852 O ARG A 115 20.420 2.982 -9.497 1.00 0.00 O ATOM 1853 CB ARG A 115 20.418 2.967 -6.110 1.00 0.00 C ATOM 1854 CG ARG A 115 20.666 1.489 -5.806 1.00 0.00 C ATOM 1855 CD ARG A 115 22.154 1.268 -5.524 1.00 0.00 C ATOM 1856 NE ARG A 115 22.345 0.935 -4.084 1.00 0.00 N ATOM 1857 CZ ARG A 115 23.539 0.675 -3.628 1.00 0.00 C ATOM 1858 NH1 ARG A 115 24.561 1.374 -4.041 1.00 0.00 N ATOM 1859 NH2 ARG A 115 23.711 -0.282 -2.758 1.00 0.00 N ATOM 0 H ARG A 115 21.729 5.001 -5.982 1.00 0.00 H new ATOM 0 HA ARG A 115 22.013 2.636 -7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.654 3.573 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.364 3.130 -6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 115 20.072 1.179 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.350 0.875 -6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 115 22.537 0.461 -6.148 1.00 0.00 H new ATOM 0 HD3 ARG A 115 22.720 2.164 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 115 21.542 0.910 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 115 24.426 2.123 -4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 115 25.495 1.171 -3.685 1.00 0.00 H new ATOM 0 HH21 ARG A 115 22.912 -0.827 -2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 115 24.645 -0.485 -2.401 1.00 0.00 H new ATOM 1873 N LEU A 116 19.553 4.656 -8.381 1.00 0.00 N ATOM 1874 CA LEU A 116 18.621 5.003 -9.485 1.00 0.00 C ATOM 1875 C LEU A 116 19.429 5.308 -10.763 1.00 0.00 C ATOM 1876 O LEU A 116 19.023 4.950 -11.850 1.00 0.00 O ATOM 1877 CB LEU A 116 17.824 6.246 -9.076 1.00 0.00 C ATOM 1878 CG LEU A 116 16.826 6.597 -10.179 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.402 6.502 -9.628 1.00 0.00 C ATOM 1880 CD2 LEU A 116 17.089 8.022 -10.671 1.00 0.00 C ATOM 0 H LEU A 116 19.484 5.255 -7.558 1.00 0.00 H new ATOM 0 HA LEU A 116 17.944 4.171 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.297 6.062 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.500 7.083 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 116 16.942 5.899 -11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.690 6.752 -10.415 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.214 5.487 -9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.286 7.199 -8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.377 8.272 -11.458 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.974 8.720 -9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.103 8.090 -11.064 1.00 0.00 H new ATOM 1892 N LYS A 117 20.564 5.981 -10.655 1.00 0.00 N ATOM 1893 CA LYS A 117 21.350 6.305 -11.881 1.00 0.00 C ATOM 1894 C LYS A 117 21.982 5.042 -12.483 1.00 0.00 C ATOM 1895 O LYS A 117 22.064 4.898 -13.686 1.00 0.00 O ATOM 1896 CB LYS A 117 22.455 7.299 -11.521 1.00 0.00 C ATOM 1897 CG LYS A 117 23.179 7.745 -12.794 1.00 0.00 C ATOM 1898 CD LYS A 117 24.566 8.277 -12.433 1.00 0.00 C ATOM 1899 CE LYS A 117 25.386 8.474 -13.710 1.00 0.00 C ATOM 1900 NZ LYS A 117 24.620 9.323 -14.665 1.00 0.00 N ATOM 0 H LYS A 117 20.967 6.311 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 117 20.675 6.738 -12.620 1.00 0.00 H new ATOM 0 HB2 LYS A 117 22.029 8.163 -11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 117 23.162 6.838 -10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 117 23.268 6.908 -13.487 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.602 8.518 -13.301 1.00 0.00 H new ATOM 0 HD2 LYS A 117 24.476 9.222 -11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 117 25.073 7.579 -11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 117 26.340 8.944 -13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 117 25.610 7.509 -14.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 25.261 9.681 -15.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 23.867 8.757 -15.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 24.197 10.124 -14.155 1.00 0.00 H new ATOM 1914 N THR A 118 22.449 4.136 -11.667 1.00 0.00 N ATOM 1915 CA THR A 118 23.093 2.906 -12.218 1.00 0.00 C ATOM 1916 C THR A 118 22.082 2.085 -13.027 1.00 0.00 C ATOM 1917 O THR A 118 22.431 1.451 -14.002 1.00 0.00 O ATOM 1918 CB THR A 118 23.653 2.056 -11.072 1.00 0.00 C ATOM 1919 OG1 THR A 118 24.235 0.876 -11.605 1.00 0.00 O ATOM 1920 CG2 THR A 118 22.532 1.679 -10.104 1.00 0.00 C ATOM 0 H THR A 118 22.414 4.192 -10.649 1.00 0.00 H new ATOM 0 HA THR A 118 23.907 3.205 -12.879 1.00 0.00 H new ATOM 0 HB THR A 118 24.408 2.630 -10.535 1.00 0.00 H new ATOM 0 HG1 THR A 118 24.595 0.330 -10.875 1.00 0.00 H new ATOM 0 HG21 THR A 118 22.939 1.075 -9.293 1.00 0.00 H new ATOM 0 HG22 THR A 118 22.086 2.585 -9.693 1.00 0.00 H new ATOM 0 HG23 THR A 118 21.770 1.108 -10.634 1.00 0.00 H new ATOM 1928 N ILE A 119 20.836 2.081 -12.635 1.00 0.00 N ATOM 1929 CA ILE A 119 19.828 1.289 -13.394 1.00 0.00 C ATOM 1930 C ILE A 119 19.570 1.930 -14.759 1.00 0.00 C ATOM 1931 O ILE A 119 19.425 1.251 -15.752 1.00 0.00 O ATOM 1932 CB ILE A 119 18.535 1.222 -12.604 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.769 0.414 -11.332 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.438 0.551 -13.438 1.00 0.00 C ATOM 1935 CD1 ILE A 119 18.579 1.319 -10.119 1.00 0.00 C ATOM 0 H ILE A 119 20.475 2.589 -11.827 1.00 0.00 H new ATOM 0 HA ILE A 119 20.211 0.280 -13.548 1.00 0.00 H new ATOM 0 HB ILE A 119 18.217 2.233 -12.351 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.074 -0.425 -11.287 1.00 0.00 H new ATOM 0 HG13 ILE A 119 19.775 -0.005 -11.333 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.515 0.509 -12.859 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.270 1.126 -14.348 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.748 -0.461 -13.700 1.00 0.00 H new ATOM 0 HD11 ILE A 119 18.745 0.745 -9.207 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.291 2.143 -10.164 1.00 0.00 H new ATOM 0 HD13 ILE A 119 17.564 1.717 -10.117 1.00 0.00 H new ATOM 1947 N MET A 120 19.496 3.233 -14.814 1.00 0.00 N ATOM 1948 CA MET A 120 19.230 3.912 -16.114 1.00 0.00 C ATOM 1949 C MET A 120 20.433 3.788 -17.039 1.00 0.00 C ATOM 1950 O MET A 120 20.289 3.676 -18.232 1.00 0.00 O ATOM 1951 CB MET A 120 18.948 5.392 -15.863 1.00 0.00 C ATOM 1952 CG MET A 120 17.566 5.540 -15.231 1.00 0.00 C ATOM 1953 SD MET A 120 17.688 6.470 -13.686 1.00 0.00 S ATOM 1954 CE MET A 120 15.990 6.177 -13.134 1.00 0.00 C ATOM 0 H MET A 120 19.608 3.856 -14.014 1.00 0.00 H new ATOM 0 HA MET A 120 18.369 3.438 -16.585 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.709 5.813 -15.205 1.00 0.00 H new ATOM 0 HB3 MET A 120 18.994 5.947 -16.800 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.895 6.052 -15.921 1.00 0.00 H new ATOM 0 HG3 MET A 120 17.137 4.556 -15.040 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.554 7.113 -12.785 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.399 5.789 -13.964 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.992 5.452 -12.320 1.00 0.00 H new ATOM 1964 N ARG A 121 21.616 3.809 -16.515 1.00 0.00 N ATOM 1965 CA ARG A 121 22.801 3.682 -17.403 1.00 0.00 C ATOM 1966 C ARG A 121 22.799 2.285 -18.018 1.00 0.00 C ATOM 1967 O ARG A 121 23.126 2.098 -19.172 1.00 0.00 O ATOM 1968 CB ARG A 121 24.074 3.868 -16.581 1.00 0.00 C ATOM 1969 CG ARG A 121 24.804 5.130 -17.042 1.00 0.00 C ATOM 1970 CD ARG A 121 25.761 4.781 -18.184 1.00 0.00 C ATOM 1971 NE ARG A 121 26.847 3.901 -17.670 1.00 0.00 N ATOM 1972 CZ ARG A 121 27.808 3.516 -18.466 1.00 0.00 C ATOM 1973 NH1 ARG A 121 28.738 4.360 -18.818 1.00 0.00 N ATOM 1974 NH2 ARG A 121 27.837 2.289 -18.909 1.00 0.00 N ATOM 0 H ARG A 121 21.818 3.907 -15.520 1.00 0.00 H new ATOM 0 HA ARG A 121 22.763 4.439 -18.187 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.827 3.945 -15.522 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.722 2.999 -16.695 1.00 0.00 H new ATOM 0 HG2 ARG A 121 24.084 5.878 -17.373 1.00 0.00 H new ATOM 0 HG3 ARG A 121 25.358 5.566 -16.211 1.00 0.00 H new ATOM 0 HD2 ARG A 121 25.220 4.278 -18.986 1.00 0.00 H new ATOM 0 HD3 ARG A 121 26.186 5.691 -18.608 1.00 0.00 H new ATOM 0 HE ARG A 121 26.840 3.599 -16.696 1.00 0.00 H new ATOM 0 HH11 ARG A 121 28.714 5.319 -18.472 1.00 0.00 H new ATOM 0 HH12 ARG A 121 29.489 4.061 -19.440 1.00 0.00 H new ATOM 0 HH21 ARG A 121 27.109 1.630 -18.634 1.00 0.00 H new ATOM 0 HH22 ARG A 121 28.588 1.989 -19.531 1.00 0.00 H new ATOM 1988 N GLU A 122 22.434 1.299 -17.245 1.00 0.00 N ATOM 1989 CA GLU A 122 22.409 -0.098 -17.769 1.00 0.00 C ATOM 1990 C GLU A 122 21.260 -0.274 -18.776 1.00 0.00 C ATOM 1991 O GLU A 122 21.423 -0.919 -19.793 1.00 0.00 O ATOM 1992 CB GLU A 122 22.233 -1.097 -16.607 1.00 0.00 C ATOM 1993 CG GLU A 122 23.428 -1.038 -15.639 1.00 0.00 C ATOM 1994 CD GLU A 122 22.985 -1.530 -14.262 1.00 0.00 C ATOM 1995 OE1 GLU A 122 21.804 -1.795 -14.101 1.00 0.00 O ATOM 1996 OE2 GLU A 122 23.831 -1.632 -13.389 1.00 0.00 O ATOM 0 H GLU A 122 22.151 1.400 -16.270 1.00 0.00 H new ATOM 0 HA GLU A 122 23.356 -0.293 -18.273 1.00 0.00 H new ATOM 0 HB2 GLU A 122 21.313 -0.873 -16.067 1.00 0.00 H new ATOM 0 HB3 GLU A 122 22.132 -2.107 -17.004 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.245 -1.655 -16.013 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.805 -0.018 -15.570 1.00 0.00 H new ATOM 2003 N LYS A 123 20.098 0.281 -18.521 1.00 0.00 N ATOM 2004 CA LYS A 123 18.978 0.110 -19.495 1.00 0.00 C ATOM 2005 C LYS A 123 19.275 0.923 -20.754 1.00 0.00 C ATOM 2006 O LYS A 123 18.998 0.515 -21.864 1.00 0.00 O ATOM 2007 CB LYS A 123 17.673 0.604 -18.865 1.00 0.00 C ATOM 2008 CG LYS A 123 16.547 0.534 -19.900 1.00 0.00 C ATOM 2009 CD LYS A 123 15.772 -0.774 -19.724 1.00 0.00 C ATOM 2010 CE LYS A 123 14.270 -0.487 -19.785 1.00 0.00 C ATOM 2011 NZ LYS A 123 13.889 -0.122 -21.179 1.00 0.00 N ATOM 0 H LYS A 123 19.881 0.836 -17.693 1.00 0.00 H new ATOM 0 HA LYS A 123 18.878 -0.944 -19.755 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.422 -0.006 -17.997 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.793 1.628 -18.511 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.876 1.385 -19.782 1.00 0.00 H new ATOM 0 HG3 LYS A 123 16.960 0.592 -20.907 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.050 -1.482 -20.505 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.027 -1.235 -18.770 1.00 0.00 H new ATOM 0 HE2 LYS A 123 13.708 -1.363 -19.461 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.016 0.325 -19.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 13.392 0.791 -21.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 14.745 -0.048 -21.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 13.264 -0.855 -21.571 1.00 0.00 H new ATOM 2025 N TYR A 124 19.831 2.080 -20.567 1.00 0.00 N ATOM 2026 CA TYR A 124 20.161 2.973 -21.690 1.00 0.00 C ATOM 2027 C TYR A 124 21.330 2.389 -22.490 1.00 0.00 C ATOM 2028 O TYR A 124 21.446 2.606 -23.681 1.00 0.00 O ATOM 2029 CB TYR A 124 20.541 4.343 -21.114 1.00 0.00 C ATOM 2030 CG TYR A 124 19.300 5.065 -20.618 1.00 0.00 C ATOM 2031 CD1 TYR A 124 18.379 4.415 -19.778 1.00 0.00 C ATOM 2032 CD2 TYR A 124 19.074 6.395 -20.996 1.00 0.00 C ATOM 2033 CE1 TYR A 124 17.243 5.093 -19.322 1.00 0.00 C ATOM 2034 CE2 TYR A 124 17.937 7.069 -20.537 1.00 0.00 C ATOM 2035 CZ TYR A 124 17.023 6.420 -19.701 1.00 0.00 C ATOM 2036 OH TYR A 124 15.903 7.086 -19.251 1.00 0.00 O ATOM 0 H TYR A 124 20.076 2.451 -19.649 1.00 0.00 H new ATOM 0 HA TYR A 124 19.307 3.076 -22.359 1.00 0.00 H new ATOM 0 HB2 TYR A 124 21.250 4.218 -20.295 1.00 0.00 H new ATOM 0 HB3 TYR A 124 21.038 4.941 -21.877 1.00 0.00 H new ATOM 0 HD1 TYR A 124 18.549 3.390 -19.484 1.00 0.00 H new ATOM 0 HD2 TYR A 124 19.777 6.900 -21.642 1.00 0.00 H new ATOM 0 HE1 TYR A 124 16.537 4.591 -18.677 1.00 0.00 H new ATOM 0 HE2 TYR A 124 17.765 8.094 -20.829 1.00 0.00 H new ATOM 0 HH TYR A 124 15.868 7.978 -19.656 1.00 0.00 H new ATOM 2046 N SER A 125 22.201 1.654 -21.849 1.00 0.00 N ATOM 2047 CA SER A 125 23.360 1.065 -22.581 1.00 0.00 C ATOM 2048 C SER A 125 23.053 -0.389 -22.956 1.00 0.00 C ATOM 2049 O SER A 125 23.948 -1.175 -23.200 1.00 0.00 O ATOM 2050 CB SER A 125 24.598 1.107 -21.684 1.00 0.00 C ATOM 2051 OG SER A 125 25.681 1.683 -22.398 1.00 0.00 O ATOM 0 H SER A 125 22.160 1.437 -20.853 1.00 0.00 H new ATOM 0 HA SER A 125 23.543 1.639 -23.489 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.390 1.689 -20.786 1.00 0.00 H new ATOM 0 HB3 SER A 125 24.858 0.100 -21.358 1.00 0.00 H new ATOM 0 HG SER A 125 26.474 1.712 -21.823 1.00 0.00 H new ATOM 2057 N LYS A 126 21.800 -0.760 -23.004 1.00 0.00 N ATOM 2058 CA LYS A 126 21.454 -2.163 -23.363 1.00 0.00 C ATOM 2059 C LYS A 126 19.937 -2.294 -23.495 1.00 0.00 C ATOM 2060 O LYS A 126 19.293 -2.983 -22.728 1.00 0.00 O ATOM 2061 CB LYS A 126 21.954 -3.110 -22.271 1.00 0.00 C ATOM 2062 CG LYS A 126 21.721 -4.558 -22.705 1.00 0.00 C ATOM 2063 CD LYS A 126 22.414 -5.504 -21.722 1.00 0.00 C ATOM 2064 CE LYS A 126 21.457 -6.631 -21.333 1.00 0.00 C ATOM 2065 NZ LYS A 126 22.226 -7.744 -20.707 1.00 0.00 N ATOM 0 H LYS A 126 21.004 -0.152 -22.810 1.00 0.00 H new ATOM 0 HA LYS A 126 21.927 -2.422 -24.310 1.00 0.00 H new ATOM 0 HB2 LYS A 126 23.015 -2.941 -22.086 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.432 -2.911 -21.335 1.00 0.00 H new ATOM 0 HG2 LYS A 126 20.653 -4.771 -22.739 1.00 0.00 H new ATOM 0 HG3 LYS A 126 22.109 -4.714 -23.711 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.315 -5.918 -22.174 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.727 -4.956 -20.833 1.00 0.00 H new ATOM 0 HE2 LYS A 126 20.704 -6.259 -20.638 1.00 0.00 H new ATOM 0 HE3 LYS A 126 20.927 -6.992 -22.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 21.575 -8.510 -20.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 22.928 -8.105 -21.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 22.713 -7.395 -19.857 1.00 0.00 H new