USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 58 GLN : amide:sc= -0.0114 X(o=-1,f=-1.2) USER MOD Set 1.2: A 66 TYR OH : rot 100:sc= -1.03! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 21 THR OG1 : rot -122:sc= -0.583 USER MOD Single : A 27 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.084) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -7.74! C(o=-7.7!,f=-23!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= 0 (180deg=-1.09) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.0625 F(o=-0.65,f=-0.062) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.215 USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= -0.0901 (180deg=-0.547) USER MOD Single : A 48 GLN : amide:sc= -2! C(o=-2!,f=-8.4!) USER MOD Single : A 52 TYR OH : rot 30:sc= -0.144 USER MOD Single : A 53 GLN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0266 K(o=-0.027,f=-0.7) USER MOD Single : A 67 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.319 -12.763 -7.714 1.00 0.00 N ATOM 60 CA GLY A 7 6.603 -11.541 -7.392 1.00 0.00 C ATOM 61 C GLY A 7 7.290 -10.787 -6.252 1.00 0.00 C ATOM 62 O GLY A 7 8.116 -11.353 -5.538 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.550 -10.903 -8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.578 -11.780 -7.109 1.00 0.00 H new ATOM 66 N LEU A 8 6.924 -9.520 -6.118 1.00 0.00 N ATOM 67 CA LEU A 8 7.495 -8.683 -5.077 1.00 0.00 C ATOM 68 C LEU A 8 6.529 -8.618 -3.893 1.00 0.00 C ATOM 69 O LEU A 8 5.328 -8.427 -4.077 1.00 0.00 O ATOM 70 CB LEU A 8 7.872 -7.311 -5.640 1.00 0.00 C ATOM 71 CG LEU A 8 8.483 -6.322 -4.645 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.772 -5.712 -5.200 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.468 -5.250 -4.242 1.00 0.00 C ATOM 0 H LEU A 8 6.239 -9.054 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 8 8.424 -9.116 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.579 -7.457 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.978 -6.858 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 8 8.749 -6.869 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.186 -5.013 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.495 -6.504 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.554 -5.184 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.929 -4.561 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.148 -4.701 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.604 -5.724 -3.777 1.00 0.00 H new ATOM 85 N GLU A 9 7.089 -8.781 -2.703 1.00 0.00 N ATOM 86 CA GLU A 9 6.291 -8.743 -1.489 1.00 0.00 C ATOM 87 C GLU A 9 6.136 -7.302 -1.001 1.00 0.00 C ATOM 88 O GLU A 9 7.049 -6.491 -1.148 1.00 0.00 O ATOM 89 CB GLU A 9 6.906 -9.627 -0.402 1.00 0.00 C ATOM 90 CG GLU A 9 5.941 -9.804 0.772 1.00 0.00 C ATOM 91 CD GLU A 9 6.640 -10.460 1.963 1.00 0.00 C ATOM 92 OE1 GLU A 9 7.860 -10.704 1.841 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.940 -10.704 2.970 1.00 0.00 O ATOM 0 H GLU A 9 8.085 -8.940 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 9 5.300 -9.138 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.158 -10.601 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.836 -9.181 -0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.543 -8.834 1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.094 -10.415 0.462 1.00 0.00 H new ATOM 100 N VAL A 10 4.972 -7.027 -0.430 1.00 0.00 N ATOM 101 CA VAL A 10 4.685 -5.697 0.081 1.00 0.00 C ATOM 102 C VAL A 10 3.754 -5.810 1.290 1.00 0.00 C ATOM 103 O VAL A 10 2.733 -6.494 1.230 1.00 0.00 O ATOM 104 CB VAL A 10 4.113 -4.820 -1.034 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.859 -3.396 -0.536 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.034 -4.817 -2.256 1.00 0.00 C ATOM 0 H VAL A 10 4.217 -7.702 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 10 5.601 -5.212 0.420 1.00 0.00 H new ATOM 0 HB VAL A 10 3.156 -5.245 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.453 -2.794 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.147 -3.421 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.796 -2.958 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.604 -4.186 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.012 -4.429 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.142 -5.834 -2.632 1.00 0.00 H new ATOM 116 N LEU A 11 4.138 -5.128 2.359 1.00 0.00 N ATOM 117 CA LEU A 11 3.350 -5.143 3.579 1.00 0.00 C ATOM 118 C LEU A 11 2.636 -3.799 3.737 1.00 0.00 C ATOM 119 O LEU A 11 2.928 -2.849 3.013 1.00 0.00 O ATOM 120 CB LEU A 11 4.225 -5.519 4.777 1.00 0.00 C ATOM 121 CG LEU A 11 4.699 -6.973 4.831 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.773 -7.239 3.775 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.175 -7.342 6.238 1.00 0.00 C ATOM 0 H LEU A 11 4.985 -4.561 2.405 1.00 0.00 H new ATOM 0 HA LEU A 11 2.578 -5.910 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.102 -4.871 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.669 -5.305 5.690 1.00 0.00 H new ATOM 0 HG LEU A 11 3.852 -7.618 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.092 -8.279 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.365 -7.041 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.628 -6.586 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.507 -8.380 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.003 -6.694 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.355 -7.215 6.945 1.00 0.00 H new ATOM 135 N VAL A 12 1.715 -3.763 4.688 1.00 0.00 N ATOM 136 CA VAL A 12 0.957 -2.551 4.950 1.00 0.00 C ATOM 137 C VAL A 12 0.442 -2.578 6.391 1.00 0.00 C ATOM 138 O VAL A 12 -0.336 -3.457 6.759 1.00 0.00 O ATOM 139 CB VAL A 12 -0.162 -2.400 3.918 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.108 -1.260 4.298 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.412 -2.192 2.515 1.00 0.00 C ATOM 0 H VAL A 12 1.476 -4.553 5.287 1.00 0.00 H new ATOM 0 HA VAL A 12 1.595 -1.673 4.849 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.739 -3.325 3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.894 -1.174 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.555 -1.467 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.550 -0.325 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.404 -2.087 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.024 -1.290 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.026 -3.050 2.242 1.00 0.00 H new ATOM 151 N LYS A 13 0.896 -1.605 7.167 1.00 0.00 N ATOM 152 CA LYS A 13 0.490 -1.506 8.558 1.00 0.00 C ATOM 153 C LYS A 13 -0.397 -0.274 8.740 1.00 0.00 C ATOM 154 O LYS A 13 0.081 0.857 8.660 1.00 0.00 O ATOM 155 CB LYS A 13 1.715 -1.524 9.476 1.00 0.00 C ATOM 156 CG LYS A 13 1.308 -1.781 10.928 1.00 0.00 C ATOM 157 CD LYS A 13 2.061 -0.850 11.881 1.00 0.00 C ATOM 158 CE LYS A 13 1.094 -0.136 12.828 1.00 0.00 C ATOM 159 NZ LYS A 13 1.189 1.331 12.656 1.00 0.00 N ATOM 0 H LYS A 13 1.541 -0.878 6.858 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.106 -2.373 8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.409 -2.297 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.241 -0.572 9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.234 -1.631 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.514 -2.819 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.785 -1.424 12.460 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.624 -0.114 11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.074 -0.466 12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.323 -0.403 13.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.526 1.800 13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.159 1.643 12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.949 1.582 11.676 1.00 0.00 H new ATOM 173 N THR A 14 -1.674 -0.533 8.982 1.00 0.00 N ATOM 174 CA THR A 14 -2.632 0.541 9.176 1.00 0.00 C ATOM 175 C THR A 14 -2.489 1.137 10.578 1.00 0.00 C ATOM 176 O THR A 14 -1.594 0.755 11.330 1.00 0.00 O ATOM 177 CB THR A 14 -4.029 -0.014 8.891 1.00 0.00 C ATOM 178 OG1 THR A 14 -4.333 -0.797 10.043 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.035 -1.025 7.742 1.00 0.00 C ATOM 0 H THR A 14 -2.067 -1.472 9.048 1.00 0.00 H new ATOM 0 HA THR A 14 -2.447 1.365 8.487 1.00 0.00 H new ATOM 0 HB THR A 14 -4.704 0.808 8.655 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.224 -1.193 9.943 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.050 -1.387 7.582 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.673 -0.545 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.386 -1.864 7.992 1.00 0.00 H new ATOM 187 N LEU A 15 -3.384 2.063 10.886 1.00 0.00 N ATOM 188 CA LEU A 15 -3.369 2.716 12.185 1.00 0.00 C ATOM 189 C LEU A 15 -4.099 1.836 13.201 1.00 0.00 C ATOM 190 O LEU A 15 -5.044 2.283 13.850 1.00 0.00 O ATOM 191 CB LEU A 15 -3.936 4.133 12.079 1.00 0.00 C ATOM 192 CG LEU A 15 -3.520 4.931 10.842 1.00 0.00 C ATOM 193 CD1 LEU A 15 -2.036 4.728 10.532 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.408 4.588 9.644 1.00 0.00 C ATOM 0 H LEU A 15 -4.125 2.377 10.259 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.345 2.833 12.541 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.024 4.070 12.097 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.634 4.691 12.965 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.662 5.990 11.055 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.767 5.306 9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.438 5.062 11.380 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.844 3.671 10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.091 5.169 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.321 3.525 9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.445 4.825 9.880 1.00 0.00 H new ATOM 206 N ASP A 16 -3.633 0.600 13.309 1.00 0.00 N ATOM 207 CA ASP A 16 -4.229 -0.347 14.236 1.00 0.00 C ATOM 208 C ASP A 16 -3.327 -1.577 14.353 1.00 0.00 C ATOM 209 O ASP A 16 -3.813 -2.694 14.521 1.00 0.00 O ATOM 210 CB ASP A 16 -5.601 -0.812 13.742 1.00 0.00 C ATOM 211 CG ASP A 16 -6.689 -0.868 14.815 1.00 0.00 C ATOM 212 OD1 ASP A 16 -6.368 -0.510 15.969 1.00 0.00 O ATOM 213 OD2 ASP A 16 -7.818 -1.269 14.458 1.00 0.00 O ATOM 0 H ASP A 16 -2.849 0.233 12.769 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.342 0.150 15.200 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.930 -0.143 12.947 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.495 -1.803 13.301 1.00 0.00 H new ATOM 218 N SER A 17 -2.029 -1.330 14.259 1.00 0.00 N ATOM 219 CA SER A 17 -1.054 -2.403 14.353 1.00 0.00 C ATOM 220 C SER A 17 -1.571 -3.644 13.623 1.00 0.00 C ATOM 221 O SER A 17 -1.846 -4.667 14.248 1.00 0.00 O ATOM 222 CB SER A 17 -0.741 -2.738 15.812 1.00 0.00 C ATOM 223 OG SER A 17 -0.214 -1.616 16.516 1.00 0.00 O ATOM 0 H SER A 17 -1.630 -0.402 14.119 1.00 0.00 H new ATOM 0 HA SER A 17 -0.131 -2.068 13.880 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.648 -3.083 16.307 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.025 -3.559 15.850 1.00 0.00 H new ATOM 0 HG SER A 17 -0.029 -1.870 17.444 1.00 0.00 H new ATOM 229 N GLN A 18 -1.688 -3.514 12.309 1.00 0.00 N ATOM 230 CA GLN A 18 -2.167 -4.612 11.488 1.00 0.00 C ATOM 231 C GLN A 18 -1.341 -4.715 10.204 1.00 0.00 C ATOM 232 O GLN A 18 -1.596 -3.997 9.238 1.00 0.00 O ATOM 233 CB GLN A 18 -3.655 -4.451 11.171 1.00 0.00 C ATOM 234 CG GLN A 18 -4.520 -4.989 12.312 1.00 0.00 C ATOM 235 CD GLN A 18 -5.728 -5.756 11.770 1.00 0.00 C ATOM 236 OE1 GLN A 18 -6.117 -5.622 10.621 1.00 0.00 O ATOM 237 NE2 GLN A 18 -6.299 -6.565 12.658 1.00 0.00 N ATOM 0 H GLN A 18 -1.459 -2.664 11.793 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.047 -5.539 12.049 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.883 -3.398 11.002 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.893 -4.980 10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.924 -5.644 12.947 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.860 -4.163 12.936 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.923 -6.630 13.604 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.113 -7.120 12.393 1.00 0.00 H new ATOM 246 N THR A 19 -0.367 -5.613 10.235 1.00 0.00 N ATOM 247 CA THR A 19 0.498 -5.819 9.086 1.00 0.00 C ATOM 248 C THR A 19 -0.071 -6.912 8.179 1.00 0.00 C ATOM 249 O THR A 19 -0.482 -7.968 8.657 1.00 0.00 O ATOM 250 CB THR A 19 1.904 -6.129 9.602 1.00 0.00 C ATOM 251 OG1 THR A 19 2.252 -4.981 10.371 1.00 0.00 O ATOM 252 CG2 THR A 19 2.946 -6.157 8.482 1.00 0.00 C ATOM 0 H THR A 19 -0.158 -6.206 11.038 1.00 0.00 H new ATOM 0 HA THR A 19 0.553 -4.923 8.467 1.00 0.00 H new ATOM 0 HB THR A 19 1.898 -7.090 10.116 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.150 -5.098 10.745 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.926 -6.381 8.903 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.679 -6.924 7.755 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.976 -5.185 7.989 1.00 0.00 H new ATOM 260 N ARG A 20 -0.076 -6.621 6.886 1.00 0.00 N ATOM 261 CA ARG A 20 -0.588 -7.566 5.908 1.00 0.00 C ATOM 262 C ARG A 20 0.369 -7.669 4.719 1.00 0.00 C ATOM 263 O ARG A 20 0.612 -6.682 4.026 1.00 0.00 O ATOM 264 CB ARG A 20 -1.970 -7.145 5.406 1.00 0.00 C ATOM 265 CG ARG A 20 -3.058 -7.524 6.414 1.00 0.00 C ATOM 266 CD ARG A 20 -4.287 -6.626 6.257 1.00 0.00 C ATOM 267 NE ARG A 20 -5.310 -6.988 7.264 1.00 0.00 N ATOM 268 CZ ARG A 20 -6.030 -8.117 7.230 1.00 0.00 C ATOM 269 NH1 ARG A 20 -5.845 -9.001 6.240 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.937 -8.363 8.186 1.00 0.00 N ATOM 0 H ARG A 20 0.266 -5.744 6.493 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.672 -8.537 6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.987 -6.069 5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.174 -7.623 4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.344 -8.566 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.666 -7.437 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.002 -5.581 6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.699 -6.732 5.253 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.477 -6.337 8.031 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.156 -8.814 5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.394 -9.861 6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.079 -7.690 8.940 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.485 -9.223 8.160 1.00 0.00 H new ATOM 284 N THR A 21 0.887 -8.872 4.519 1.00 0.00 N ATOM 285 CA THR A 21 1.812 -9.117 3.426 1.00 0.00 C ATOM 286 C THR A 21 1.050 -9.276 2.109 1.00 0.00 C ATOM 287 O THR A 21 -0.028 -9.867 2.078 1.00 0.00 O ATOM 288 CB THR A 21 2.661 -10.337 3.789 1.00 0.00 C ATOM 289 OG1 THR A 21 3.713 -9.803 4.587 1.00 0.00 O ATOM 290 CG2 THR A 21 3.378 -10.933 2.576 1.00 0.00 C ATOM 0 H THR A 21 0.683 -9.688 5.096 1.00 0.00 H new ATOM 0 HA THR A 21 2.482 -8.270 3.277 1.00 0.00 H new ATOM 0 HB THR A 21 2.027 -11.097 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.577 -10.020 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.966 -11.796 2.889 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.642 -11.245 1.835 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.038 -10.183 2.139 1.00 0.00 H new ATOM 298 N PHE A 22 1.641 -8.739 1.052 1.00 0.00 N ATOM 299 CA PHE A 22 1.032 -8.814 -0.265 1.00 0.00 C ATOM 300 C PHE A 22 2.076 -9.138 -1.335 1.00 0.00 C ATOM 301 O PHE A 22 3.171 -8.576 -1.330 1.00 0.00 O ATOM 302 CB PHE A 22 0.429 -7.438 -0.559 1.00 0.00 C ATOM 303 CG PHE A 22 -0.765 -7.080 0.328 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.941 -7.748 0.188 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.650 -6.094 1.258 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.049 -7.416 1.011 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.758 -5.761 2.081 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.935 -6.430 1.940 1.00 0.00 C ATOM 0 H PHE A 22 2.536 -8.250 1.081 1.00 0.00 H new ATOM 0 HA PHE A 22 0.278 -9.601 -0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.202 -6.680 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.116 -7.405 -1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.032 -8.532 -0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.284 -5.564 1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.983 -7.947 0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.667 -4.977 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.778 -6.178 2.566 1.00 0.00 H new ATOM 318 N ILE A 23 1.702 -10.044 -2.227 1.00 0.00 N ATOM 319 CA ILE A 23 2.593 -10.450 -3.301 1.00 0.00 C ATOM 320 C ILE A 23 2.028 -9.965 -4.637 1.00 0.00 C ATOM 321 O ILE A 23 1.074 -10.541 -5.157 1.00 0.00 O ATOM 322 CB ILE A 23 2.841 -11.959 -3.249 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.578 -12.349 -1.966 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.578 -12.436 -4.502 1.00 0.00 C ATOM 325 CD1 ILE A 23 5.074 -12.051 -2.081 1.00 0.00 C ATOM 0 H ILE A 23 0.794 -10.508 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 23 3.572 -9.985 -3.181 1.00 0.00 H new ATOM 0 HB ILE A 23 1.875 -12.465 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.159 -11.803 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.429 -13.410 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.742 -13.512 -4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.979 -12.210 -5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.539 -11.926 -4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.574 -12.337 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.495 -12.617 -2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.220 -10.985 -2.258 1.00 0.00 H new ATOM 337 N VAL A 24 2.641 -8.911 -5.155 1.00 0.00 N ATOM 338 CA VAL A 24 2.210 -8.342 -6.421 1.00 0.00 C ATOM 339 C VAL A 24 3.412 -8.236 -7.362 1.00 0.00 C ATOM 340 O VAL A 24 4.558 -8.313 -6.922 1.00 0.00 O ATOM 341 CB VAL A 24 1.518 -6.999 -6.183 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.260 -7.174 -5.330 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.477 -5.993 -5.544 1.00 0.00 C ATOM 0 H VAL A 24 3.433 -8.436 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 24 1.476 -8.990 -6.901 1.00 0.00 H new ATOM 0 HB VAL A 24 1.214 -6.603 -7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.213 -6.204 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.436 -7.840 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.531 -7.603 -4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.959 -5.047 -5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.826 -6.380 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.330 -5.834 -6.204 1.00 0.00 H new ATOM 353 N GLY A 25 3.109 -8.062 -8.640 1.00 0.00 N ATOM 354 CA GLY A 25 4.150 -7.945 -9.647 1.00 0.00 C ATOM 355 C GLY A 25 4.945 -6.650 -9.465 1.00 0.00 C ATOM 356 O GLY A 25 4.379 -5.559 -9.504 1.00 0.00 O ATOM 0 H GLY A 25 2.157 -7.999 -9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.822 -8.801 -9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.703 -7.965 -10.641 1.00 0.00 H new ATOM 360 N ALA A 26 6.245 -6.815 -9.271 1.00 0.00 N ATOM 361 CA ALA A 26 7.124 -5.673 -9.084 1.00 0.00 C ATOM 362 C ALA A 26 6.725 -4.562 -10.058 1.00 0.00 C ATOM 363 O ALA A 26 6.628 -3.398 -9.672 1.00 0.00 O ATOM 364 CB ALA A 26 8.578 -6.112 -9.264 1.00 0.00 C ATOM 0 H ALA A 26 6.711 -7.722 -9.239 1.00 0.00 H new ATOM 0 HA ALA A 26 7.027 -5.276 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.237 -5.255 -9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.820 -6.880 -8.529 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.715 -6.514 -10.268 1.00 0.00 H new ATOM 370 N GLN A 27 6.505 -4.962 -11.302 1.00 0.00 N ATOM 371 CA GLN A 27 6.119 -4.015 -12.334 1.00 0.00 C ATOM 372 C GLN A 27 4.939 -3.164 -11.860 1.00 0.00 C ATOM 373 O GLN A 27 4.932 -1.948 -12.044 1.00 0.00 O ATOM 374 CB GLN A 27 5.784 -4.735 -13.642 1.00 0.00 C ATOM 375 CG GLN A 27 7.031 -5.390 -14.242 1.00 0.00 C ATOM 376 CD GLN A 27 7.762 -4.423 -15.176 1.00 0.00 C ATOM 377 OE1 GLN A 27 7.214 -3.919 -16.143 1.00 0.00 O ATOM 378 NE2 GLN A 27 9.026 -4.192 -14.833 1.00 0.00 N ATOM 0 H GLN A 27 6.587 -5.928 -11.618 1.00 0.00 H new ATOM 0 HA GLN A 27 6.964 -3.354 -12.527 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.023 -5.493 -13.459 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.363 -4.026 -14.354 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.701 -5.705 -13.442 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.746 -6.287 -14.792 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.423 -4.647 -14.011 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.599 -3.560 -15.392 1.00 0.00 H new ATOM 387 N MET A 28 3.969 -3.837 -11.258 1.00 0.00 N ATOM 388 CA MET A 28 2.787 -3.158 -10.756 1.00 0.00 C ATOM 389 C MET A 28 3.143 -1.780 -10.195 1.00 0.00 C ATOM 390 O MET A 28 4.246 -1.578 -9.688 1.00 0.00 O ATOM 391 CB MET A 28 2.139 -4.005 -9.658 1.00 0.00 C ATOM 392 CG MET A 28 0.860 -3.344 -9.140 1.00 0.00 C ATOM 393 SD MET A 28 0.138 -4.343 -7.849 1.00 0.00 S ATOM 394 CE MET A 28 -0.828 -5.474 -8.836 1.00 0.00 C ATOM 0 H MET A 28 3.978 -4.846 -11.107 1.00 0.00 H new ATOM 0 HA MET A 28 2.089 -3.024 -11.583 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.908 -4.997 -10.047 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.842 -4.141 -8.836 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.084 -2.348 -8.758 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.148 -3.220 -9.956 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.349 -6.174 -8.182 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.557 -4.914 -9.423 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.169 -6.026 -9.507 1.00 0.00 H new ATOM 404 N ASN A 29 2.189 -0.867 -10.304 1.00 0.00 N ATOM 405 CA ASN A 29 2.388 0.486 -9.814 1.00 0.00 C ATOM 406 C ASN A 29 1.718 0.633 -8.446 1.00 0.00 C ATOM 407 O ASN A 29 0.960 -0.240 -8.026 1.00 0.00 O ATOM 408 CB ASN A 29 1.761 1.513 -10.760 1.00 0.00 C ATOM 409 CG ASN A 29 0.394 1.038 -11.256 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.202 -0.111 -11.620 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.541 1.983 -11.251 1.00 0.00 N ATOM 0 H ASN A 29 1.276 -1.038 -10.725 1.00 0.00 H new ATOM 0 HA ASN A 29 3.461 0.665 -9.747 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.654 2.468 -10.246 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.422 1.681 -11.610 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.487 1.766 -11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.312 2.925 -10.933 1.00 0.00 H new ATOM 418 N VAL A 30 2.022 1.742 -7.790 1.00 0.00 N ATOM 419 CA VAL A 30 1.458 2.014 -6.479 1.00 0.00 C ATOM 420 C VAL A 30 -0.069 1.961 -6.563 1.00 0.00 C ATOM 421 O VAL A 30 -0.709 1.212 -5.827 1.00 0.00 O ATOM 422 CB VAL A 30 1.982 3.352 -5.951 1.00 0.00 C ATOM 423 CG1 VAL A 30 1.096 3.879 -4.820 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.437 3.230 -5.497 1.00 0.00 C ATOM 0 H VAL A 30 2.652 2.463 -8.142 1.00 0.00 H new ATOM 0 HA VAL A 30 1.770 1.253 -5.764 1.00 0.00 H new ATOM 0 HB VAL A 30 1.946 4.073 -6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.490 4.830 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.081 4.023 -5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.085 3.160 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.785 4.194 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.509 2.488 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.056 2.920 -6.339 1.00 0.00 H new ATOM 434 N LYS A 31 -0.607 2.766 -7.468 1.00 0.00 N ATOM 435 CA LYS A 31 -2.047 2.820 -7.658 1.00 0.00 C ATOM 436 C LYS A 31 -2.602 1.396 -7.728 1.00 0.00 C ATOM 437 O LYS A 31 -3.403 0.996 -6.885 1.00 0.00 O ATOM 438 CB LYS A 31 -2.394 3.676 -8.878 1.00 0.00 C ATOM 439 CG LYS A 31 -3.814 3.383 -9.367 1.00 0.00 C ATOM 440 CD LYS A 31 -4.512 4.665 -9.825 1.00 0.00 C ATOM 441 CE LYS A 31 -4.166 4.989 -11.279 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.268 5.740 -11.920 1.00 0.00 N ATOM 0 H LYS A 31 -0.072 3.385 -8.077 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.526 3.307 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.304 4.732 -8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.682 3.479 -9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.779 2.670 -10.191 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.389 2.918 -8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.591 4.553 -9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.214 5.494 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.248 5.575 -11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.979 4.066 -11.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.016 5.952 -12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.136 5.168 -11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.427 6.629 -11.405 1.00 0.00 H new ATOM 456 N GLU A 32 -2.154 0.670 -8.742 1.00 0.00 N ATOM 457 CA GLU A 32 -2.595 -0.701 -8.933 1.00 0.00 C ATOM 458 C GLU A 32 -2.583 -1.454 -7.601 1.00 0.00 C ATOM 459 O GLU A 32 -3.616 -1.952 -7.156 1.00 0.00 O ATOM 460 CB GLU A 32 -1.731 -1.416 -9.974 1.00 0.00 C ATOM 461 CG GLU A 32 -2.232 -1.131 -11.391 1.00 0.00 C ATOM 462 CD GLU A 32 -1.596 -2.090 -12.400 1.00 0.00 C ATOM 463 OE1 GLU A 32 -0.388 -2.365 -12.238 1.00 0.00 O ATOM 464 OE2 GLU A 32 -2.333 -2.525 -13.311 1.00 0.00 O ATOM 0 H GLU A 32 -1.490 1.006 -9.440 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.618 -0.683 -9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.695 -1.090 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.746 -2.490 -9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.317 -1.230 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.997 -0.102 -11.664 1.00 0.00 H new ATOM 471 N PHE A 33 -1.403 -1.511 -7.001 1.00 0.00 N ATOM 472 CA PHE A 33 -1.243 -2.194 -5.729 1.00 0.00 C ATOM 473 C PHE A 33 -2.383 -1.843 -4.771 1.00 0.00 C ATOM 474 O PHE A 33 -2.917 -2.717 -4.089 1.00 0.00 O ATOM 475 CB PHE A 33 0.079 -1.714 -5.126 1.00 0.00 C ATOM 476 CG PHE A 33 0.480 -2.444 -3.843 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.778 -3.771 -3.881 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.539 -1.767 -2.665 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.150 -4.449 -2.690 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.911 -2.445 -1.474 1.00 0.00 C ATOM 481 CZ PHE A 33 1.209 -3.771 -1.512 1.00 0.00 C ATOM 0 H PHE A 33 -0.549 -1.095 -7.372 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.252 -3.273 -5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.870 -1.839 -5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.005 -0.647 -4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.732 -4.308 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.303 -0.714 -2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.386 -5.502 -2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.957 -1.908 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.493 -4.286 -0.606 1.00 0.00 H new ATOM 491 N LYS A 34 -2.724 -0.563 -4.750 1.00 0.00 N ATOM 492 CA LYS A 34 -3.791 -0.086 -3.887 1.00 0.00 C ATOM 493 C LYS A 34 -5.104 -0.763 -4.286 1.00 0.00 C ATOM 494 O LYS A 34 -5.848 -1.235 -3.427 1.00 0.00 O ATOM 495 CB LYS A 34 -3.856 1.442 -3.910 1.00 0.00 C ATOM 496 CG LYS A 34 -2.572 2.054 -3.345 1.00 0.00 C ATOM 497 CD LYS A 34 -2.809 3.491 -2.878 1.00 0.00 C ATOM 498 CE LYS A 34 -1.720 4.427 -3.406 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.132 5.840 -3.253 1.00 0.00 N ATOM 0 H LYS A 34 -2.280 0.159 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.593 -0.358 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.009 1.788 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.712 1.782 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.214 1.451 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.792 2.039 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.785 3.833 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.826 3.525 -1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.789 4.253 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.524 4.211 -4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.080 6.319 -4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.108 5.880 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.498 6.316 -2.580 1.00 0.00 H new ATOM 513 N GLU A 35 -5.348 -0.790 -5.588 1.00 0.00 N ATOM 514 CA GLU A 35 -6.558 -1.402 -6.110 1.00 0.00 C ATOM 515 C GLU A 35 -6.607 -2.885 -5.736 1.00 0.00 C ATOM 516 O GLU A 35 -7.683 -3.434 -5.504 1.00 0.00 O ATOM 517 CB GLU A 35 -6.656 -1.215 -7.625 1.00 0.00 C ATOM 518 CG GLU A 35 -6.528 0.261 -8.005 1.00 0.00 C ATOM 519 CD GLU A 35 -7.058 0.512 -9.419 1.00 0.00 C ATOM 520 OE1 GLU A 35 -7.989 -0.222 -9.814 1.00 0.00 O ATOM 521 OE2 GLU A 35 -6.519 1.431 -10.072 1.00 0.00 O ATOM 0 H GLU A 35 -4.728 -0.398 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.417 -0.906 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.872 -1.790 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.609 -1.605 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.080 0.873 -7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.483 0.566 -7.945 1.00 0.00 H new ATOM 528 N HIS A 36 -5.429 -3.490 -5.689 1.00 0.00 N ATOM 529 CA HIS A 36 -5.325 -4.898 -5.347 1.00 0.00 C ATOM 530 C HIS A 36 -5.685 -5.097 -3.874 1.00 0.00 C ATOM 531 O HIS A 36 -6.642 -5.801 -3.554 1.00 0.00 O ATOM 532 CB HIS A 36 -3.938 -5.440 -5.696 1.00 0.00 C ATOM 533 CG HIS A 36 -3.694 -6.854 -5.224 1.00 0.00 C ATOM 534 ND1 HIS A 36 -2.761 -7.359 -4.368 1.00 0.00 N flip ATOM 535 CD2 HIS A 36 -4.462 -7.927 -5.643 1.00 0.00 C flip ATOM 536 CE1 HIS A 36 -2.949 -8.669 -4.267 1.00 0.00 C flip ATOM 537 NE2 HIS A 36 -4.003 -9.023 -5.057 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.539 -3.031 -5.882 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.037 -5.473 -5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.805 -5.401 -6.777 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.183 -4.787 -5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.294 -7.879 -6.330 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.364 -9.343 -3.659 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.373 -9.966 -5.176 1.00 0.00 H new ATOM 545 N ILE A 37 -4.900 -4.463 -3.015 1.00 0.00 N ATOM 546 CA ILE A 37 -5.125 -4.561 -1.583 1.00 0.00 C ATOM 547 C ILE A 37 -6.487 -3.953 -1.241 1.00 0.00 C ATOM 548 O ILE A 37 -7.083 -4.291 -0.220 1.00 0.00 O ATOM 549 CB ILE A 37 -3.961 -3.932 -0.814 1.00 0.00 C ATOM 550 CG1 ILE A 37 -3.966 -2.409 -0.960 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.626 -4.545 -1.242 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.232 -1.743 0.205 1.00 0.00 C ATOM 0 H ILE A 37 -4.108 -3.880 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.155 -5.606 -1.273 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.092 -4.154 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.492 -2.129 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.994 -2.048 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.816 -4.080 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.637 -5.617 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.473 -4.375 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.251 -0.661 0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.723 -2.005 1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.198 -2.088 0.228 1.00 0.00 H new ATOM 564 N ALA A 38 -6.940 -3.067 -2.116 1.00 0.00 N ATOM 565 CA ALA A 38 -8.221 -2.410 -1.921 1.00 0.00 C ATOM 566 C ALA A 38 -9.272 -3.454 -1.540 1.00 0.00 C ATOM 567 O ALA A 38 -10.263 -3.132 -0.885 1.00 0.00 O ATOM 568 CB ALA A 38 -8.598 -1.638 -3.187 1.00 0.00 C ATOM 0 H ALA A 38 -6.442 -2.789 -2.962 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.162 -1.689 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.559 -1.145 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.835 -0.889 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.669 -2.329 -4.027 1.00 0.00 H new ATOM 574 N ALA A 39 -9.021 -4.683 -1.965 1.00 0.00 N ATOM 575 CA ALA A 39 -9.934 -5.776 -1.677 1.00 0.00 C ATOM 576 C ALA A 39 -9.838 -6.136 -0.193 1.00 0.00 C ATOM 577 O ALA A 39 -10.836 -6.093 0.526 1.00 0.00 O ATOM 578 CB ALA A 39 -9.612 -6.964 -2.587 1.00 0.00 C ATOM 0 H ALA A 39 -8.198 -4.946 -2.507 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.963 -5.480 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.297 -7.784 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.722 -6.664 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.587 -7.291 -2.410 1.00 0.00 H new ATOM 584 N SER A 40 -8.629 -6.484 0.222 1.00 0.00 N ATOM 585 CA SER A 40 -8.390 -6.851 1.608 1.00 0.00 C ATOM 586 C SER A 40 -8.769 -5.691 2.530 1.00 0.00 C ATOM 587 O SER A 40 -9.675 -5.817 3.353 1.00 0.00 O ATOM 588 CB SER A 40 -6.930 -7.249 1.828 1.00 0.00 C ATOM 589 OG SER A 40 -6.695 -8.617 1.507 1.00 0.00 O ATOM 0 H SER A 40 -7.804 -6.520 -0.377 1.00 0.00 H new ATOM 0 HA SER A 40 -9.013 -7.713 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.286 -6.617 1.216 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.658 -7.069 2.868 1.00 0.00 H new ATOM 0 HG SER A 40 -5.751 -8.831 1.659 1.00 0.00 H new ATOM 595 N VAL A 41 -8.058 -4.586 2.361 1.00 0.00 N ATOM 596 CA VAL A 41 -8.308 -3.404 3.167 1.00 0.00 C ATOM 597 C VAL A 41 -9.763 -2.966 2.985 1.00 0.00 C ATOM 598 O VAL A 41 -10.365 -2.404 3.899 1.00 0.00 O ATOM 599 CB VAL A 41 -7.304 -2.305 2.812 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.870 -2.763 3.086 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.469 -1.862 1.357 1.00 0.00 C ATOM 0 H VAL A 41 -7.308 -4.485 1.677 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.165 -3.626 4.224 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.509 -1.445 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.177 -1.963 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.762 -3.007 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.649 -3.645 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.744 -1.080 1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.304 -2.713 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.477 -1.476 1.206 1.00 0.00 H new ATOM 611 N SER A 42 -10.286 -3.240 1.799 1.00 0.00 N ATOM 612 CA SER A 42 -11.659 -2.882 1.486 1.00 0.00 C ATOM 613 C SER A 42 -11.769 -1.370 1.274 1.00 0.00 C ATOM 614 O SER A 42 -12.866 -0.845 1.085 1.00 0.00 O ATOM 615 CB SER A 42 -12.613 -3.334 2.593 1.00 0.00 C ATOM 616 OG SER A 42 -13.643 -4.183 2.095 1.00 0.00 O ATOM 0 H SER A 42 -9.784 -3.706 1.043 1.00 0.00 H new ATOM 0 HA SER A 42 -11.945 -3.394 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.050 -3.860 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.060 -2.460 3.066 1.00 0.00 H new ATOM 0 HG SER A 42 -14.230 -4.452 2.832 1.00 0.00 H new ATOM 622 N ILE A 43 -10.620 -0.713 1.314 1.00 0.00 N ATOM 623 CA ILE A 43 -10.574 0.727 1.129 1.00 0.00 C ATOM 624 C ILE A 43 -10.213 1.039 -0.324 1.00 0.00 C ATOM 625 O ILE A 43 -9.396 0.346 -0.928 1.00 0.00 O ATOM 626 CB ILE A 43 -9.630 1.368 2.149 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.123 1.131 3.577 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.430 2.856 1.851 1.00 0.00 C ATOM 629 CD1 ILE A 43 -9.135 1.696 4.599 1.00 0.00 C ATOM 0 H ILE A 43 -9.713 -1.152 1.472 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.554 1.167 1.315 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.655 0.888 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.098 1.599 3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.256 0.063 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.755 3.288 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.001 2.973 0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.391 3.368 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.510 1.514 5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.168 1.208 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.023 2.769 4.442 1.00 0.00 H new ATOM 641 N PRO A 44 -10.857 2.112 -0.859 1.00 0.00 N ATOM 642 CA PRO A 44 -10.612 2.524 -2.230 1.00 0.00 C ATOM 643 C PRO A 44 -9.259 3.229 -2.358 1.00 0.00 C ATOM 644 O PRO A 44 -8.850 3.961 -1.459 1.00 0.00 O ATOM 645 CB PRO A 44 -11.785 3.423 -2.586 1.00 0.00 C ATOM 646 CG PRO A 44 -12.397 3.853 -1.263 1.00 0.00 C ATOM 647 CD PRO A 44 -11.831 2.957 -0.174 1.00 0.00 C ATOM 0 HA PRO A 44 -10.550 1.680 -2.918 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.454 4.287 -3.162 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.513 2.891 -3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.165 4.898 -1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.483 3.769 -1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.361 3.543 0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.614 2.360 0.294 1.00 0.00 H new ATOM 655 N SER A 45 -8.604 2.982 -3.482 1.00 0.00 N ATOM 656 CA SER A 45 -7.306 3.583 -3.739 1.00 0.00 C ATOM 657 C SER A 45 -7.390 5.101 -3.568 1.00 0.00 C ATOM 658 O SER A 45 -6.530 5.706 -2.930 1.00 0.00 O ATOM 659 CB SER A 45 -6.805 3.234 -5.142 1.00 0.00 C ATOM 660 OG SER A 45 -7.218 4.194 -6.111 1.00 0.00 O ATOM 0 H SER A 45 -8.947 2.374 -4.225 1.00 0.00 H new ATOM 0 HA SER A 45 -6.594 3.181 -3.018 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.717 3.173 -5.133 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.177 2.250 -5.425 1.00 0.00 H new ATOM 0 HG SER A 45 -6.877 3.936 -6.993 1.00 0.00 H new ATOM 666 N GLU A 46 -8.433 5.674 -4.150 1.00 0.00 N ATOM 667 CA GLU A 46 -8.641 7.110 -4.070 1.00 0.00 C ATOM 668 C GLU A 46 -8.682 7.559 -2.608 1.00 0.00 C ATOM 669 O GLU A 46 -8.475 8.735 -2.311 1.00 0.00 O ATOM 670 CB GLU A 46 -9.917 7.521 -4.807 1.00 0.00 C ATOM 671 CG GLU A 46 -11.159 7.191 -3.977 1.00 0.00 C ATOM 672 CD GLU A 46 -12.322 6.766 -4.877 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.934 7.673 -5.480 1.00 0.00 O ATOM 674 OE2 GLU A 46 -12.571 5.543 -4.942 1.00 0.00 O ATOM 0 H GLU A 46 -9.144 5.169 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.803 7.607 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.890 8.590 -5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.969 7.006 -5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.928 6.392 -3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.449 8.061 -3.388 1.00 0.00 H new ATOM 681 N LYS A 47 -8.950 6.600 -1.735 1.00 0.00 N ATOM 682 CA LYS A 47 -9.021 6.883 -0.311 1.00 0.00 C ATOM 683 C LYS A 47 -7.714 6.449 0.356 1.00 0.00 C ATOM 684 O LYS A 47 -7.322 7.005 1.381 1.00 0.00 O ATOM 685 CB LYS A 47 -10.267 6.240 0.301 1.00 0.00 C ATOM 686 CG LYS A 47 -11.504 7.110 0.067 1.00 0.00 C ATOM 687 CD LYS A 47 -12.712 6.560 0.828 1.00 0.00 C ATOM 688 CE LYS A 47 -13.075 7.465 2.007 1.00 0.00 C ATOM 689 NZ LYS A 47 -13.495 8.800 1.527 1.00 0.00 N ATOM 0 H LYS A 47 -9.121 5.626 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.127 7.954 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.424 5.254 -0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.117 6.094 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.301 8.131 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.729 7.150 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.564 6.476 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.492 5.556 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.879 7.011 2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.218 7.565 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.170 9.215 2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.662 9.418 1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.949 8.707 0.596 1.00 0.00 H new ATOM 703 N GLN A 48 -7.075 5.461 -0.253 1.00 0.00 N ATOM 704 CA GLN A 48 -5.821 4.946 0.269 1.00 0.00 C ATOM 705 C GLN A 48 -4.677 5.910 -0.052 1.00 0.00 C ATOM 706 O GLN A 48 -4.802 6.755 -0.938 1.00 0.00 O ATOM 707 CB GLN A 48 -5.531 3.548 -0.280 1.00 0.00 C ATOM 708 CG GLN A 48 -6.553 2.533 0.237 1.00 0.00 C ATOM 709 CD GLN A 48 -6.086 1.101 -0.031 1.00 0.00 C ATOM 710 OE1 GLN A 48 -5.349 0.507 0.739 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.556 0.581 -1.161 1.00 0.00 N ATOM 0 H GLN A 48 -7.403 5.003 -1.104 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.907 4.864 1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.554 3.569 -1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.527 3.240 0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.704 2.676 1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.515 2.702 -0.246 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.169 1.133 -1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.303 -0.370 -1.428 1.00 0.00 H new ATOM 720 N ARG A 49 -3.587 5.752 0.684 1.00 0.00 N ATOM 721 CA ARG A 49 -2.422 6.597 0.489 1.00 0.00 C ATOM 722 C ARG A 49 -1.192 5.965 1.143 1.00 0.00 C ATOM 723 O ARG A 49 -0.900 6.228 2.309 1.00 0.00 O ATOM 724 CB ARG A 49 -2.647 7.990 1.080 1.00 0.00 C ATOM 725 CG ARG A 49 -1.409 8.871 0.894 1.00 0.00 C ATOM 726 CD ARG A 49 -1.674 10.297 1.379 1.00 0.00 C ATOM 727 NE ARG A 49 -2.929 10.810 0.785 1.00 0.00 N ATOM 728 CZ ARG A 49 -4.142 10.639 1.329 1.00 0.00 C ATOM 729 NH1 ARG A 49 -4.271 9.968 2.481 1.00 0.00 N ATOM 730 NH2 ARG A 49 -5.225 11.138 0.719 1.00 0.00 N ATOM 0 H ARG A 49 -3.486 5.050 1.417 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.258 6.693 -0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.506 8.458 0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.881 7.905 2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.570 8.446 1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.125 8.888 -0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.744 10.313 2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.841 10.944 1.104 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.867 11.326 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.446 9.587 2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.194 9.838 2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.126 11.648 -0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.148 11.008 1.132 1.00 0.00 H new ATOM 744 N LEU A 50 -0.503 5.144 0.364 1.00 0.00 N ATOM 745 CA LEU A 50 0.689 4.473 0.854 1.00 0.00 C ATOM 746 C LEU A 50 1.742 5.519 1.227 1.00 0.00 C ATOM 747 O LEU A 50 2.080 6.380 0.416 1.00 0.00 O ATOM 748 CB LEU A 50 1.180 3.442 -0.165 1.00 0.00 C ATOM 749 CG LEU A 50 0.127 2.465 -0.691 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.764 1.408 -1.596 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.660 1.835 0.460 1.00 0.00 C ATOM 0 H LEU A 50 -0.747 4.928 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 50 0.464 3.910 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.609 3.975 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.986 2.866 0.290 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.584 3.024 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.006 0.726 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.243 1.896 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.510 0.848 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.402 1.145 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.023 1.293 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.163 2.618 1.028 1.00 0.00 H new ATOM 763 N ILE A 51 2.230 5.409 2.453 1.00 0.00 N ATOM 764 CA ILE A 51 3.237 6.335 2.943 1.00 0.00 C ATOM 765 C ILE A 51 4.373 5.546 3.598 1.00 0.00 C ATOM 766 O ILE A 51 4.136 4.731 4.487 1.00 0.00 O ATOM 767 CB ILE A 51 2.603 7.379 3.865 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.674 8.309 3.082 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.673 8.153 4.635 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.528 8.809 3.964 1.00 0.00 C ATOM 0 H ILE A 51 1.947 4.693 3.122 1.00 0.00 H new ATOM 0 HA ILE A 51 3.672 6.896 2.116 1.00 0.00 H new ATOM 0 HB ILE A 51 1.991 6.858 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.241 9.158 2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.269 7.782 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.195 8.888 5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.257 7.461 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.331 8.663 3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.117 9.468 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.051 7.959 4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.935 9.357 4.814 1.00 0.00 H new ATOM 782 N TYR A 52 5.584 5.817 3.132 1.00 0.00 N ATOM 783 CA TYR A 52 6.757 5.143 3.660 1.00 0.00 C ATOM 784 C TYR A 52 7.708 6.139 4.326 1.00 0.00 C ATOM 785 O TYR A 52 8.179 7.078 3.685 1.00 0.00 O ATOM 786 CB TYR A 52 7.460 4.512 2.456 1.00 0.00 C ATOM 787 CG TYR A 52 8.467 3.421 2.825 1.00 0.00 C ATOM 788 CD1 TYR A 52 9.511 3.707 3.682 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.332 2.152 2.300 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.459 2.680 4.029 1.00 0.00 C ATOM 791 CE2 TYR A 52 9.280 1.125 2.647 1.00 0.00 C ATOM 792 CZ TYR A 52 10.297 1.440 3.494 1.00 0.00 C ATOM 793 OH TYR A 52 11.192 0.470 3.822 1.00 0.00 O ATOM 0 H TYR A 52 5.777 6.494 2.394 1.00 0.00 H new ATOM 0 HA TYR A 52 6.470 4.406 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.708 4.088 1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.975 5.294 1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.617 4.701 4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.516 1.929 1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.280 2.890 4.699 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.186 0.127 2.244 1.00 0.00 H new ATOM 0 HH TYR A 52 11.539 0.637 4.723 1.00 0.00 H new ATOM 803 N GLN A 53 7.963 5.901 5.605 1.00 0.00 N ATOM 804 CA GLN A 53 8.850 6.766 6.365 1.00 0.00 C ATOM 805 C GLN A 53 8.178 8.116 6.628 1.00 0.00 C ATOM 806 O GLN A 53 7.925 8.474 7.777 1.00 0.00 O ATOM 807 CB GLN A 53 10.186 6.951 5.644 1.00 0.00 C ATOM 808 CG GLN A 53 11.313 6.226 6.384 1.00 0.00 C ATOM 809 CD GLN A 53 12.566 7.100 6.464 1.00 0.00 C ATOM 810 OE1 GLN A 53 12.608 8.110 7.147 1.00 0.00 O ATOM 811 NE2 GLN A 53 13.583 6.656 5.731 1.00 0.00 N ATOM 0 H GLN A 53 7.571 5.122 6.134 1.00 0.00 H new ATOM 0 HA GLN A 53 9.055 6.290 7.324 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.110 6.569 4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.419 8.013 5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.983 5.964 7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.548 5.293 5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.481 5.803 5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.465 7.169 5.718 1.00 0.00 H new ATOM 820 N GLY A 54 7.908 8.827 5.543 1.00 0.00 N ATOM 821 CA GLY A 54 7.270 10.129 5.642 1.00 0.00 C ATOM 822 C GLY A 54 7.057 10.742 4.256 1.00 0.00 C ATOM 823 O GLY A 54 7.149 11.958 4.091 1.00 0.00 O ATOM 0 H GLY A 54 8.119 8.526 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.311 10.030 6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.885 10.795 6.247 1.00 0.00 H new ATOM 827 N ARG A 55 6.778 9.873 3.296 1.00 0.00 N ATOM 828 CA ARG A 55 6.551 10.314 1.931 1.00 0.00 C ATOM 829 C ARG A 55 5.362 9.568 1.323 1.00 0.00 C ATOM 830 O ARG A 55 5.306 8.340 1.367 1.00 0.00 O ATOM 831 CB ARG A 55 7.789 10.078 1.063 1.00 0.00 C ATOM 832 CG ARG A 55 8.041 8.582 0.861 1.00 0.00 C ATOM 833 CD ARG A 55 9.514 8.310 0.551 1.00 0.00 C ATOM 834 NE ARG A 55 10.071 7.357 1.537 1.00 0.00 N ATOM 835 CZ ARG A 55 11.373 7.055 1.637 1.00 0.00 C ATOM 836 NH1 ARG A 55 12.259 7.629 0.812 1.00 0.00 N ATOM 837 NH2 ARG A 55 11.788 6.179 2.562 1.00 0.00 N ATOM 0 H ARG A 55 6.704 8.865 3.437 1.00 0.00 H new ATOM 0 HA ARG A 55 6.338 11.383 1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.657 10.562 0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.659 10.537 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.748 8.036 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.420 8.212 0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.613 7.904 -0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.078 9.243 0.576 1.00 0.00 H new ATOM 0 HE ARG A 55 9.424 6.902 2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.943 8.296 0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.250 7.399 0.888 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.113 5.742 3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.779 5.949 2.638 1.00 0.00 H new ATOM 851 N VAL A 56 4.440 10.341 0.768 1.00 0.00 N ATOM 852 CA VAL A 56 3.255 9.769 0.152 1.00 0.00 C ATOM 853 C VAL A 56 3.641 9.111 -1.174 1.00 0.00 C ATOM 854 O VAL A 56 3.854 9.797 -2.172 1.00 0.00 O ATOM 855 CB VAL A 56 2.177 10.844 -0.005 1.00 0.00 C ATOM 856 CG1 VAL A 56 1.102 10.400 -1.000 1.00 0.00 C ATOM 857 CG2 VAL A 56 1.558 11.202 1.347 1.00 0.00 C ATOM 0 H VAL A 56 4.490 11.359 0.732 1.00 0.00 H new ATOM 0 HA VAL A 56 2.831 8.992 0.788 1.00 0.00 H new ATOM 0 HB VAL A 56 2.653 11.740 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.348 11.181 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.559 10.219 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.632 9.483 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.795 11.968 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.104 10.314 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.333 11.580 2.013 1.00 0.00 H new ATOM 867 N LEU A 57 3.721 7.789 -1.140 1.00 0.00 N ATOM 868 CA LEU A 57 4.079 7.031 -2.327 1.00 0.00 C ATOM 869 C LEU A 57 3.164 7.441 -3.484 1.00 0.00 C ATOM 870 O LEU A 57 1.944 7.320 -3.388 1.00 0.00 O ATOM 871 CB LEU A 57 4.059 5.530 -2.030 1.00 0.00 C ATOM 872 CG LEU A 57 4.933 5.066 -0.863 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.360 3.803 -0.217 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.384 4.874 -1.308 1.00 0.00 C ATOM 0 H LEU A 57 3.544 7.224 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 57 5.101 7.259 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.030 5.233 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.374 4.998 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 57 4.930 5.847 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.000 3.495 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.357 4.009 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.314 3.005 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.984 4.544 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.426 4.123 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.777 5.818 -1.685 1.00 0.00 H new ATOM 886 N GLN A 58 3.790 7.917 -4.550 1.00 0.00 N ATOM 887 CA GLN A 58 3.048 8.346 -5.723 1.00 0.00 C ATOM 888 C GLN A 58 2.258 7.174 -6.309 1.00 0.00 C ATOM 889 O GLN A 58 2.476 6.023 -5.931 1.00 0.00 O ATOM 890 CB GLN A 58 3.982 8.955 -6.771 1.00 0.00 C ATOM 891 CG GLN A 58 4.008 10.481 -6.661 1.00 0.00 C ATOM 892 CD GLN A 58 4.707 10.926 -5.375 1.00 0.00 C ATOM 893 OE1 GLN A 58 5.785 10.468 -5.032 1.00 0.00 O ATOM 894 NE2 GLN A 58 4.035 11.842 -4.683 1.00 0.00 N ATOM 0 H GLN A 58 4.802 8.015 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 58 2.343 9.120 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.989 8.560 -6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.654 8.664 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.523 10.903 -7.524 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.989 10.868 -6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.137 12.183 -5.026 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.418 12.203 -3.809 1.00 0.00 H new ATOM 903 N ASP A 59 1.357 7.506 -7.222 1.00 0.00 N ATOM 904 CA ASP A 59 0.534 6.495 -7.863 1.00 0.00 C ATOM 905 C ASP A 59 1.246 5.984 -9.117 1.00 0.00 C ATOM 906 O ASP A 59 1.435 4.780 -9.281 1.00 0.00 O ATOM 907 CB ASP A 59 -0.817 7.074 -8.290 1.00 0.00 C ATOM 908 CG ASP A 59 -0.763 8.496 -8.852 1.00 0.00 C ATOM 909 OD1 ASP A 59 -0.439 9.407 -8.060 1.00 0.00 O ATOM 910 OD2 ASP A 59 -1.046 8.640 -10.060 1.00 0.00 O ATOM 0 H ASP A 59 1.179 8.461 -7.533 1.00 0.00 H new ATOM 0 HA ASP A 59 0.371 5.689 -7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.255 6.418 -9.043 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.487 7.064 -7.431 1.00 0.00 H new ATOM 915 N ASP A 60 1.621 6.925 -9.971 1.00 0.00 N ATOM 916 CA ASP A 60 2.308 6.585 -11.206 1.00 0.00 C ATOM 917 C ASP A 60 3.569 5.783 -10.878 1.00 0.00 C ATOM 918 O ASP A 60 4.055 5.017 -11.709 1.00 0.00 O ATOM 919 CB ASP A 60 2.732 7.844 -11.965 1.00 0.00 C ATOM 920 CG ASP A 60 2.059 8.036 -13.325 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.509 7.035 -13.833 1.00 0.00 O ATOM 922 OD2 ASP A 60 2.109 9.180 -13.827 1.00 0.00 O ATOM 0 H ASP A 60 1.462 7.923 -9.832 1.00 0.00 H new ATOM 0 HA ASP A 60 1.623 6.005 -11.825 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.517 8.714 -11.344 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.812 7.815 -12.112 1.00 0.00 H new ATOM 927 N LYS A 61 4.063 5.986 -9.666 1.00 0.00 N ATOM 928 CA LYS A 61 5.258 5.292 -9.218 1.00 0.00 C ATOM 929 C LYS A 61 4.923 3.820 -8.965 1.00 0.00 C ATOM 930 O LYS A 61 3.752 3.446 -8.918 1.00 0.00 O ATOM 931 CB LYS A 61 5.868 6.001 -8.007 1.00 0.00 C ATOM 932 CG LYS A 61 7.003 6.934 -8.433 1.00 0.00 C ATOM 933 CD LYS A 61 8.367 6.296 -8.164 1.00 0.00 C ATOM 934 CE LYS A 61 9.387 7.347 -7.722 1.00 0.00 C ATOM 935 NZ LYS A 61 9.984 6.975 -6.420 1.00 0.00 N ATOM 0 H LYS A 61 3.657 6.622 -8.980 1.00 0.00 H new ATOM 0 HA LYS A 61 6.025 5.317 -9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.098 6.572 -7.489 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.246 5.262 -7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.909 7.166 -9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.926 7.877 -7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.269 5.532 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.722 5.796 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.170 7.441 -8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.903 8.321 -7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.674 7.699 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.235 6.908 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.463 6.056 -6.508 1.00 0.00 H new ATOM 949 N LYS A 62 5.972 3.026 -8.809 1.00 0.00 N ATOM 950 CA LYS A 62 5.803 1.604 -8.562 1.00 0.00 C ATOM 951 C LYS A 62 6.467 1.240 -7.233 1.00 0.00 C ATOM 952 O LYS A 62 7.358 1.947 -6.765 1.00 0.00 O ATOM 953 CB LYS A 62 6.319 0.789 -9.750 1.00 0.00 C ATOM 954 CG LYS A 62 5.752 1.322 -11.068 1.00 0.00 C ATOM 955 CD LYS A 62 6.699 1.026 -12.232 1.00 0.00 C ATOM 956 CE LYS A 62 5.931 0.922 -13.551 1.00 0.00 C ATOM 957 NZ LYS A 62 6.827 1.198 -14.696 1.00 0.00 N ATOM 0 H LYS A 62 6.942 3.340 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 62 4.746 1.356 -8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.408 0.827 -9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.040 -0.257 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.780 0.867 -11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.591 2.397 -10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.449 1.814 -12.305 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.233 0.094 -12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.501 -0.075 -13.650 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.101 1.629 -13.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.290 1.123 -15.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.218 2.158 -14.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.604 0.507 -14.703 1.00 0.00 H new ATOM 971 N LEU A 63 6.007 0.136 -6.661 1.00 0.00 N ATOM 972 CA LEU A 63 6.545 -0.330 -5.395 1.00 0.00 C ATOM 973 C LEU A 63 8.052 -0.549 -5.535 1.00 0.00 C ATOM 974 O LEU A 63 8.840 0.039 -4.796 1.00 0.00 O ATOM 975 CB LEU A 63 5.786 -1.569 -4.915 1.00 0.00 C ATOM 976 CG LEU A 63 4.296 -1.620 -5.261 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.695 -0.213 -5.302 1.00 0.00 C ATOM 978 CD2 LEU A 63 4.063 -2.382 -6.567 1.00 0.00 C ATOM 0 H LEU A 63 5.268 -0.449 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 63 6.403 0.424 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.267 -2.451 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.890 -1.637 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 63 3.780 -2.168 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.636 -0.277 -5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.812 0.261 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.209 0.380 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.996 -2.404 -6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.593 -1.884 -7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.433 -3.402 -6.464 1.00 0.00 H new ATOM 990 N GLN A 64 8.409 -1.396 -6.490 1.00 0.00 N ATOM 991 CA GLN A 64 9.808 -1.699 -6.737 1.00 0.00 C ATOM 992 C GLN A 64 10.644 -0.418 -6.700 1.00 0.00 C ATOM 993 O GLN A 64 11.677 -0.365 -6.035 1.00 0.00 O ATOM 994 CB GLN A 64 9.984 -2.431 -8.069 1.00 0.00 C ATOM 995 CG GLN A 64 11.394 -3.011 -8.194 1.00 0.00 C ATOM 996 CD GLN A 64 11.681 -3.449 -9.632 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.298 -2.803 -10.593 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.375 -4.580 -9.724 1.00 0.00 N ATOM 0 H GLN A 64 7.753 -1.882 -7.102 1.00 0.00 H new ATOM 0 HA GLN A 64 10.161 -2.362 -5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.249 -3.232 -8.148 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.795 -1.743 -8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.127 -2.266 -7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.502 -3.863 -7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.665 -5.071 -8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.618 -4.956 -10.640 1.00 0.00 H new ATOM 1007 N GLU A 65 10.165 0.584 -7.423 1.00 0.00 N ATOM 1008 CA GLU A 65 10.854 1.861 -7.482 1.00 0.00 C ATOM 1009 C GLU A 65 11.290 2.294 -6.081 1.00 0.00 C ATOM 1010 O GLU A 65 12.456 2.619 -5.863 1.00 0.00 O ATOM 1011 CB GLU A 65 9.976 2.929 -8.137 1.00 0.00 C ATOM 1012 CG GLU A 65 10.652 3.507 -9.382 1.00 0.00 C ATOM 1013 CD GLU A 65 11.864 4.360 -9.002 1.00 0.00 C ATOM 1014 OE1 GLU A 65 12.918 3.752 -8.715 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.709 5.600 -9.007 1.00 0.00 O ATOM 0 H GLU A 65 9.307 0.537 -7.973 1.00 0.00 H new ATOM 0 HA GLU A 65 11.745 1.742 -8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.013 2.496 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.776 3.728 -7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.965 2.696 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.938 4.112 -9.940 1.00 0.00 H new ATOM 1022 N TYR A 66 10.330 2.284 -5.168 1.00 0.00 N ATOM 1023 CA TYR A 66 10.601 2.672 -3.794 1.00 0.00 C ATOM 1024 C TYR A 66 11.458 1.620 -3.086 1.00 0.00 C ATOM 1025 O TYR A 66 12.253 1.951 -2.208 1.00 0.00 O ATOM 1026 CB TYR A 66 9.238 2.751 -3.102 1.00 0.00 C ATOM 1027 CG TYR A 66 8.425 3.993 -3.472 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.750 5.219 -2.928 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.365 3.888 -4.350 1.00 0.00 C ATOM 1030 CE1 TYR A 66 7.984 6.388 -3.275 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.599 5.057 -4.698 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.947 6.249 -4.144 1.00 0.00 C ATOM 1033 OH TYR A 66 6.224 7.353 -4.472 1.00 0.00 O ATOM 0 H TYR A 66 9.364 2.014 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 66 11.142 3.617 -3.762 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.661 1.862 -3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.388 2.736 -2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.580 5.302 -2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.110 2.929 -4.776 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.227 7.353 -2.855 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.767 4.988 -5.383 1.00 0.00 H new ATOM 0 HH TYR A 66 6.520 7.691 -5.343 1.00 0.00 H new ATOM 1043 N ASN A 67 11.266 0.374 -3.495 1.00 0.00 N ATOM 1044 CA ASN A 67 12.012 -0.728 -2.911 1.00 0.00 C ATOM 1045 C ASN A 67 11.348 -1.148 -1.598 1.00 0.00 C ATOM 1046 O ASN A 67 12.027 -1.354 -0.593 1.00 0.00 O ATOM 1047 CB ASN A 67 13.452 -0.315 -2.601 1.00 0.00 C ATOM 1048 CG ASN A 67 14.427 -1.452 -2.916 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.042 -2.564 -3.237 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.708 -1.111 -2.806 1.00 0.00 N ATOM 0 H ASN A 67 10.605 0.103 -4.223 1.00 0.00 H new ATOM 0 HA ASN A 67 12.019 -1.549 -3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.715 0.567 -3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.537 -0.039 -1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.437 -1.799 -2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.961 -0.162 -2.533 1.00 0.00 H new ATOM 1057 N VAL A 68 10.029 -1.261 -1.649 1.00 0.00 N ATOM 1058 CA VAL A 68 9.266 -1.653 -0.476 1.00 0.00 C ATOM 1059 C VAL A 68 9.073 -3.171 -0.482 1.00 0.00 C ATOM 1060 O VAL A 68 8.064 -3.674 0.010 1.00 0.00 O ATOM 1061 CB VAL A 68 7.944 -0.883 -0.430 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.189 0.627 -0.457 1.00 0.00 C ATOM 1063 CG2 VAL A 68 7.021 -1.309 -1.573 1.00 0.00 C ATOM 0 H VAL A 68 9.469 -1.088 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 68 9.808 -1.397 0.435 1.00 0.00 H new ATOM 0 HB VAL A 68 7.447 -1.126 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.234 1.151 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.791 0.913 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.717 0.894 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.089 -0.747 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.508 -1.110 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.807 -2.375 -1.490 1.00 0.00 H new ATOM 1073 N GLY A 69 10.056 -3.858 -1.044 1.00 0.00 N ATOM 1074 CA GLY A 69 10.008 -5.308 -1.120 1.00 0.00 C ATOM 1075 C GLY A 69 10.245 -5.938 0.254 1.00 0.00 C ATOM 1076 O GLY A 69 11.356 -5.887 0.780 1.00 0.00 O ATOM 0 H GLY A 69 10.891 -3.437 -1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.039 -5.623 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.762 -5.664 -1.822 1.00 0.00 H new ATOM 1080 N GLY A 70 9.184 -6.517 0.795 1.00 0.00 N ATOM 1081 CA GLY A 70 9.263 -7.156 2.098 1.00 0.00 C ATOM 1082 C GLY A 70 9.325 -6.114 3.217 1.00 0.00 C ATOM 1083 O GLY A 70 9.420 -6.465 4.392 1.00 0.00 O ATOM 0 H GLY A 70 8.265 -6.557 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.396 -7.801 2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.146 -7.794 2.141 1.00 0.00 H new ATOM 1087 N LYS A 71 9.268 -4.854 2.812 1.00 0.00 N ATOM 1088 CA LYS A 71 9.317 -3.759 3.765 1.00 0.00 C ATOM 1089 C LYS A 71 7.913 -3.509 4.321 1.00 0.00 C ATOM 1090 O LYS A 71 6.943 -4.106 3.857 1.00 0.00 O ATOM 1091 CB LYS A 71 9.955 -2.522 3.129 1.00 0.00 C ATOM 1092 CG LYS A 71 11.378 -2.823 2.655 1.00 0.00 C ATOM 1093 CD LYS A 71 12.379 -2.691 3.805 1.00 0.00 C ATOM 1094 CE LYS A 71 13.784 -3.102 3.360 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.204 -4.342 4.050 1.00 0.00 N ATOM 0 H LYS A 71 9.188 -4.567 1.836 1.00 0.00 H new ATOM 0 HA LYS A 71 9.954 -4.019 4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.350 -2.189 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.973 -1.706 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.422 -3.831 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.650 -2.139 1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.394 -1.661 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.062 -3.314 4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.800 -3.256 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.490 -2.301 3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.160 -4.607 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.208 -4.183 5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.540 -5.109 3.821 1.00 0.00 H new ATOM 1109 N VAL A 72 7.850 -2.626 5.307 1.00 0.00 N ATOM 1110 CA VAL A 72 6.581 -2.290 5.930 1.00 0.00 C ATOM 1111 C VAL A 72 6.206 -0.852 5.570 1.00 0.00 C ATOM 1112 O VAL A 72 6.943 0.082 5.879 1.00 0.00 O ATOM 1113 CB VAL A 72 6.661 -2.527 7.440 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.483 -1.868 8.161 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.733 -4.022 7.758 1.00 0.00 C ATOM 0 H VAL A 72 8.657 -2.133 5.690 1.00 0.00 H new ATOM 0 HA VAL A 72 5.788 -2.936 5.554 1.00 0.00 H new ATOM 0 HB VAL A 72 7.578 -2.064 7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.564 -2.051 9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.497 -0.794 7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.548 -2.289 7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.789 -4.162 8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.842 -4.519 7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.619 -4.451 7.290 1.00 0.00 H new ATOM 1125 N ILE A 73 5.058 -0.719 4.920 1.00 0.00 N ATOM 1126 CA ILE A 73 4.576 0.590 4.514 1.00 0.00 C ATOM 1127 C ILE A 73 3.559 1.095 5.540 1.00 0.00 C ATOM 1128 O ILE A 73 3.207 0.378 6.475 1.00 0.00 O ATOM 1129 CB ILE A 73 4.035 0.542 3.084 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.875 -0.392 2.211 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.934 1.947 2.488 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.185 -0.660 0.872 1.00 0.00 C ATOM 0 H ILE A 73 4.449 -1.496 4.665 1.00 0.00 H new ATOM 0 HA ILE A 73 5.395 1.309 4.496 1.00 0.00 H new ATOM 0 HB ILE A 73 3.025 0.132 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.855 0.051 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.040 -1.334 2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.547 1.884 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.261 2.552 3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.922 2.407 2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.803 -1.327 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.216 -1.126 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.044 0.281 0.341 1.00 0.00 H new ATOM 1144 N HIS A 74 3.115 2.326 5.329 1.00 0.00 N ATOM 1145 CA HIS A 74 2.145 2.935 6.224 1.00 0.00 C ATOM 1146 C HIS A 74 0.998 3.531 5.407 1.00 0.00 C ATOM 1147 O HIS A 74 1.087 4.666 4.941 1.00 0.00 O ATOM 1148 CB HIS A 74 2.819 3.960 7.138 1.00 0.00 C ATOM 1149 CG HIS A 74 3.838 3.367 8.081 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.523 2.958 9.365 1.00 0.00 N ATOM 1151 CD2 HIS A 74 5.169 3.118 7.913 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.622 2.487 9.935 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.641 2.587 9.034 1.00 0.00 N ATOM 0 H HIS A 74 3.409 2.918 4.552 1.00 0.00 H new ATOM 0 HA HIS A 74 1.720 2.175 6.880 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.306 4.716 6.522 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.053 4.470 7.722 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.741 3.319 7.019 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.698 2.093 10.938 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.607 2.301 9.195 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.054 2.740 5.259 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.219 3.176 4.506 1.00 0.00 C ATOM 1163 C LEU A 75 -2.156 3.955 5.431 1.00 0.00 C ATOM 1164 O LEU A 75 -2.232 3.671 6.626 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.886 1.985 3.815 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.409 2.054 3.682 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.819 3.029 2.576 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.005 0.661 3.469 1.00 0.00 C ATOM 0 H LEU A 75 -0.125 1.800 5.647 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.924 3.855 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.458 1.883 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.630 1.080 4.366 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.817 2.438 4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.906 3.059 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.443 4.025 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.400 2.698 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.088 0.739 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.594 0.225 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.757 0.025 4.319 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.846 4.921 4.844 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.775 5.743 5.600 1.00 0.00 C ATOM 1182 C VAL A 76 -5.104 5.829 4.846 1.00 0.00 C ATOM 1183 O VAL A 76 -5.123 5.854 3.617 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.155 7.115 5.876 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.911 6.986 6.758 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.829 7.842 4.570 1.00 0.00 C ATOM 0 H VAL A 76 -2.780 5.153 3.853 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.980 5.292 6.571 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.889 7.712 6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.489 7.975 6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.185 6.528 7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.171 6.363 6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.390 8.814 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.121 7.249 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.743 7.982 3.993 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.182 5.872 5.615 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.511 5.954 5.035 1.00 0.00 C ATOM 1198 C GLU A 77 -8.134 7.321 5.326 1.00 0.00 C ATOM 1199 O GLU A 77 -8.238 7.727 6.483 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.405 4.824 5.551 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.824 4.950 4.993 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.862 4.899 6.117 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.751 3.973 6.949 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.742 5.786 6.118 1.00 0.00 O ATOM 0 H GLU A 77 -6.162 5.852 6.635 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.422 5.839 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.982 3.861 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.435 4.848 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.921 5.887 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.012 4.145 4.283 1.00 0.00 H new