USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 632 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 MET CE :methyl -135:sc= -4.54! (180deg=-4.57!) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= -0.458 USER MOD Set 1.3: A 68 LYS NZ :NH3+ -177:sc= 0.0974 (180deg=0.172) USER MOD Set 2.1: A 20 GLN :FLIP amide:sc= 0.06 F(o=-2,f=0.09) USER MOD Set 2.2: A 52 ASN :FLIP amide:sc= 0.0301 F(o=-3.2,f=0.09) USER MOD Single : A 8 THR OG1 : rot 150:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -110:sc= -2.61 (180deg=-6.85!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 23 MET CE :methyl -148:sc= -5.54! (180deg=-8.49!) USER MOD Single : A 33 GLN : amide:sc= -0.759 K(o=-0.76,f=-1.9!) USER MOD Single : A 35 MET CE :methyl -168:sc= -4.31! (180deg=-5.47!) USER MOD Single : A 36 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-3.4!) USER MOD Single : A 38 THR OG1 : rot -130:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= 0.126 (180deg=0.0257) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 46 MET CE :methyl -163:sc= -3.76! (180deg=-4.69!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.163 X(o=-0.16,f=0.016) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.211 K(o=-0.21,f=-2.4!) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 5 ASN : amide:sc= -0.0205 K(o=-0.02,f=-2.3!) USER MOD Single : B 7 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.023) USER MOD Single : B 9 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.64) USER MOD Single : B 11 LYS NZ :NH3+ -154:sc= 0.268 (180deg=0.0724) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 165:sc= -0.0757 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -8.451 -6.334 -5.419 1.00 0.00 N ATOM 95 CA THR A 8 -9.069 -5.335 -4.560 1.00 0.00 C ATOM 96 C THR A 8 -10.052 -4.486 -5.353 1.00 0.00 C ATOM 97 O THR A 8 -11.075 -4.052 -4.823 1.00 0.00 O ATOM 98 CB THR A 8 -7.999 -4.443 -3.929 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.590 -3.322 -3.294 1.00 0.00 O ATOM 100 CG2 THR A 8 -6.985 -3.926 -4.926 1.00 0.00 C ATOM 0 HA THR A 8 -9.612 -5.851 -3.768 1.00 0.00 H new ATOM 0 HB THR A 8 -7.483 -5.078 -3.209 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.034 -3.045 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.255 -3.300 -4.412 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.475 -4.767 -5.396 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.493 -3.337 -5.690 1.00 0.00 H new ATOM 108 N ALA A 9 -9.746 -4.262 -6.628 1.00 0.00 N ATOM 109 CA ALA A 9 -10.642 -3.514 -7.497 1.00 0.00 C ATOM 110 C ALA A 9 -11.990 -4.217 -7.564 1.00 0.00 C ATOM 111 O ALA A 9 -13.042 -3.578 -7.575 1.00 0.00 O ATOM 112 CB ALA A 9 -10.045 -3.358 -8.886 1.00 0.00 C ATOM 0 H ALA A 9 -8.890 -4.586 -7.078 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.782 -2.515 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.733 -2.796 -9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.097 -2.824 -8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.876 -4.343 -9.322 1.00 0.00 H new ATOM 118 N SER A 10 -11.942 -5.547 -7.565 1.00 0.00 N ATOM 119 CA SER A 10 -13.152 -6.353 -7.561 1.00 0.00 C ATOM 120 C SER A 10 -13.856 -6.212 -6.221 1.00 0.00 C ATOM 121 O SER A 10 -15.085 -6.168 -6.155 1.00 0.00 O ATOM 122 CB SER A 10 -12.821 -7.823 -7.832 1.00 0.00 C ATOM 123 OG SER A 10 -13.911 -8.487 -8.448 1.00 0.00 O ATOM 0 H SER A 10 -11.076 -6.086 -7.569 1.00 0.00 H new ATOM 0 HA SER A 10 -13.813 -6.000 -8.353 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.942 -7.889 -8.473 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.570 -8.321 -6.895 1.00 0.00 H new ATOM 0 HG SER A 10 -13.673 -9.423 -8.612 1.00 0.00 H new ATOM 129 N MET A 11 -13.065 -6.093 -5.153 1.00 0.00 N ATOM 130 CA MET A 11 -13.622 -5.901 -3.820 1.00 0.00 C ATOM 131 C MET A 11 -14.358 -4.575 -3.754 1.00 0.00 C ATOM 132 O MET A 11 -15.398 -4.466 -3.115 1.00 0.00 O ATOM 133 CB MET A 11 -12.528 -5.928 -2.753 1.00 0.00 C ATOM 134 CG MET A 11 -11.642 -7.160 -2.816 1.00 0.00 C ATOM 135 SD MET A 11 -11.208 -7.791 -1.183 1.00 0.00 S ATOM 136 CE MET A 11 -9.897 -6.662 -0.715 1.00 0.00 C ATOM 0 H MET A 11 -12.046 -6.126 -5.188 1.00 0.00 H new ATOM 0 HA MET A 11 -14.315 -6.719 -3.624 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.907 -5.039 -2.860 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.992 -5.876 -1.768 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.153 -7.941 -3.379 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.730 -6.919 -3.362 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.944 -7.191 -0.715 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.855 -5.838 -1.428 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.094 -6.269 0.282 1.00 0.00 H new ATOM 146 N LEU A 12 -13.819 -3.573 -4.445 1.00 0.00 N ATOM 147 CA LEU A 12 -14.428 -2.251 -4.481 1.00 0.00 C ATOM 148 C LEU A 12 -15.893 -2.359 -4.881 1.00 0.00 C ATOM 149 O LEU A 12 -16.773 -1.803 -4.225 1.00 0.00 O ATOM 150 CB LEU A 12 -13.683 -1.358 -5.477 1.00 0.00 C ATOM 151 CG LEU A 12 -12.786 -0.279 -4.861 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.828 -0.882 -3.843 1.00 0.00 C ATOM 153 CD2 LEU A 12 -12.014 0.445 -5.952 1.00 0.00 C ATOM 0 H LEU A 12 -12.959 -3.655 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.364 -1.808 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.070 -1.992 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.417 -0.871 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.421 0.439 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.203 -0.095 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.398 -1.360 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.197 -1.624 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.380 1.209 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.393 -0.269 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.714 0.914 -6.643 1.00 0.00 H new ATOM 165 N ALA A 13 -16.143 -3.098 -5.956 1.00 0.00 N ATOM 166 CA ALA A 13 -17.500 -3.310 -6.442 1.00 0.00 C ATOM 167 C ALA A 13 -18.322 -4.121 -5.443 1.00 0.00 C ATOM 168 O ALA A 13 -19.539 -3.957 -5.350 1.00 0.00 O ATOM 169 CB ALA A 13 -17.470 -4.006 -7.794 1.00 0.00 C ATOM 0 H ALA A 13 -15.421 -3.561 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.977 -2.336 -6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.490 -4.159 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.927 -3.388 -8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.971 -4.970 -7.696 1.00 0.00 H new ATOM 175 N SER A 14 -17.652 -5.006 -4.708 1.00 0.00 N ATOM 176 CA SER A 14 -18.327 -5.859 -3.735 1.00 0.00 C ATOM 177 C SER A 14 -18.146 -5.344 -2.309 1.00 0.00 C ATOM 178 O SER A 14 -18.398 -6.067 -1.345 1.00 0.00 O ATOM 179 CB SER A 14 -17.801 -7.292 -3.840 1.00 0.00 C ATOM 180 OG SER A 14 -18.037 -7.829 -5.130 1.00 0.00 O ATOM 0 H SER A 14 -16.644 -5.150 -4.768 1.00 0.00 H new ATOM 0 HA SER A 14 -19.393 -5.842 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.732 -7.307 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.285 -7.916 -3.089 1.00 0.00 H new ATOM 0 HG SER A 14 -17.690 -8.745 -5.172 1.00 0.00 H new ATOM 186 N ALA A 15 -17.714 -4.094 -2.178 1.00 0.00 N ATOM 187 CA ALA A 15 -17.505 -3.495 -0.864 1.00 0.00 C ATOM 188 C ALA A 15 -18.053 -2.067 -0.818 1.00 0.00 C ATOM 189 O ALA A 15 -17.659 -1.220 -1.619 1.00 0.00 O ATOM 190 CB ALA A 15 -16.030 -3.507 -0.497 1.00 0.00 C ATOM 0 H ALA A 15 -17.502 -3.478 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.050 -4.093 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.896 -3.056 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.668 -4.535 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.466 -2.939 -1.237 1.00 0.00 H new ATOM 241 N GLU A 19 -16.488 0.285 3.618 1.00 0.00 N ATOM 242 CA GLU A 19 -15.544 -0.824 3.548 1.00 0.00 C ATOM 243 C GLU A 19 -14.193 -0.362 3.006 1.00 0.00 C ATOM 244 O GLU A 19 -13.341 -1.181 2.661 1.00 0.00 O ATOM 245 CB GLU A 19 -16.113 -1.934 2.662 1.00 0.00 C ATOM 246 CG GLU A 19 -15.653 -3.329 3.052 1.00 0.00 C ATOM 247 CD GLU A 19 -16.238 -3.788 4.374 1.00 0.00 C ATOM 248 OE1 GLU A 19 -17.453 -4.071 4.418 1.00 0.00 O ATOM 249 OE2 GLU A 19 -15.480 -3.865 5.364 1.00 0.00 O ATOM 0 HA GLU A 19 -15.391 -1.208 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.202 -1.896 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.826 -1.743 1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.936 -4.033 2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.565 -3.344 3.116 1.00 0.00 H new ATOM 256 N GLN A 20 -14.005 0.954 2.935 1.00 0.00 N ATOM 257 CA GLN A 20 -12.760 1.533 2.433 1.00 0.00 C ATOM 258 C GLN A 20 -11.547 0.960 3.162 1.00 0.00 C ATOM 259 O GLN A 20 -10.679 0.340 2.550 1.00 0.00 O ATOM 260 CB GLN A 20 -12.783 3.057 2.590 1.00 0.00 C ATOM 261 CG GLN A 20 -13.431 3.530 3.880 1.00 0.00 C ATOM 262 CD GLN A 20 -12.588 4.554 4.614 1.00 0.00 C ATOM 263 OE1 GLN A 20 -11.595 4.078 5.357 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -12.824 5.757 4.513 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.702 1.642 3.220 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.677 1.278 1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.761 3.433 2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.317 3.492 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.406 3.962 3.655 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.604 2.673 4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.598 6.078 3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.246 6.434 5.012 1.00 0.00 H new ATOM 273 N LYS A 21 -11.506 1.153 4.475 1.00 0.00 N ATOM 274 CA LYS A 21 -10.381 0.689 5.280 1.00 0.00 C ATOM 275 C LYS A 21 -10.146 -0.807 5.102 1.00 0.00 C ATOM 276 O LYS A 21 -9.064 -1.311 5.400 1.00 0.00 O ATOM 277 CB LYS A 21 -10.620 1.001 6.762 1.00 0.00 C ATOM 278 CG LYS A 21 -12.090 1.111 7.143 1.00 0.00 C ATOM 279 CD LYS A 21 -12.791 -0.238 7.081 1.00 0.00 C ATOM 280 CE LYS A 21 -12.966 -0.840 8.466 1.00 0.00 C ATOM 281 NZ LYS A 21 -14.385 -1.205 8.738 1.00 0.00 N ATOM 0 H LYS A 21 -12.237 1.627 5.005 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.492 1.218 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.156 0.221 7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.120 1.937 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.175 1.519 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.588 1.811 6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.766 -0.121 6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.214 -0.920 6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.339 -1.727 8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.624 -0.128 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.462 -1.612 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.980 -0.355 8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.704 -1.904 8.037 1.00 0.00 H new ATOM 295 N GLN A 22 -11.166 -1.520 4.639 1.00 0.00 N ATOM 296 CA GLN A 22 -11.046 -2.956 4.417 1.00 0.00 C ATOM 297 C GLN A 22 -10.194 -3.261 3.187 1.00 0.00 C ATOM 298 O GLN A 22 -9.024 -3.628 3.303 1.00 0.00 O ATOM 299 CB GLN A 22 -12.430 -3.591 4.261 1.00 0.00 C ATOM 300 CG GLN A 22 -12.381 -5.048 3.828 1.00 0.00 C ATOM 301 CD GLN A 22 -12.436 -6.007 5.000 1.00 0.00 C ATOM 302 OE1 GLN A 22 -11.515 -5.844 5.943 1.00 0.00 O flip ATOM 303 NE2 GLN A 22 -13.297 -6.886 5.059 1.00 0.00 N flip ATOM 0 H GLN A 22 -12.081 -1.130 4.411 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.551 -3.384 5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.963 -3.519 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.003 -3.021 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.216 -5.252 3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.466 -5.224 3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.986 -6.976 4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.321 -7.524 5.855 1.00 0.00 H new ATOM 312 N MET A 23 -10.810 -3.149 2.014 1.00 0.00 N ATOM 313 CA MET A 23 -10.141 -3.472 0.754 1.00 0.00 C ATOM 314 C MET A 23 -9.044 -2.468 0.394 1.00 0.00 C ATOM 315 O MET A 23 -7.888 -2.620 0.788 1.00 0.00 O ATOM 316 CB MET A 23 -11.160 -3.557 -0.394 1.00 0.00 C ATOM 317 CG MET A 23 -12.524 -2.960 -0.073 1.00 0.00 C ATOM 318 SD MET A 23 -12.532 -1.159 -0.152 1.00 0.00 S ATOM 319 CE MET A 23 -14.041 -0.857 -1.068 1.00 0.00 C ATOM 0 H MET A 23 -11.775 -2.836 1.908 1.00 0.00 H new ATOM 0 HA MET A 23 -9.665 -4.442 0.896 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.750 -3.047 -1.265 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.291 -4.603 -0.670 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.262 -3.353 -0.772 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.829 -3.277 0.924 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.926 0.043 -1.672 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.248 -1.706 -1.719 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.869 -0.724 -0.372 1.00 0.00 H new ATOM 329 N LEU A 24 -9.416 -1.478 -0.412 1.00 0.00 N ATOM 330 CA LEU A 24 -8.481 -0.488 -0.939 1.00 0.00 C ATOM 331 C LEU A 24 -7.810 0.353 0.138 1.00 0.00 C ATOM 332 O LEU A 24 -7.010 1.234 -0.179 1.00 0.00 O ATOM 333 CB LEU A 24 -9.233 0.426 -1.919 1.00 0.00 C ATOM 334 CG LEU A 24 -9.796 1.739 -1.349 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.647 2.439 -2.396 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.607 1.500 -0.089 1.00 0.00 C ATOM 0 H LEU A 24 -10.379 -1.339 -0.720 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.681 -1.033 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.559 0.673 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.060 -0.141 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.953 2.377 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.041 3.368 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.037 2.661 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.474 1.791 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.988 2.451 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.443 0.837 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.974 1.040 0.670 1.00 0.00 H new ATOM 348 N GLY A 25 -8.156 0.130 1.398 1.00 0.00 N ATOM 349 CA GLY A 25 -7.633 0.993 2.431 1.00 0.00 C ATOM 350 C GLY A 25 -8.176 2.381 2.212 1.00 0.00 C ATOM 351 O GLY A 25 -9.387 2.590 2.231 1.00 0.00 O ATOM 0 H GLY A 25 -8.775 -0.616 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.921 0.624 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.543 1.003 2.401 1.00 0.00 H new ATOM 355 N GLU A 26 -7.295 3.323 1.942 1.00 0.00 N ATOM 356 CA GLU A 26 -7.731 4.630 1.494 1.00 0.00 C ATOM 357 C GLU A 26 -8.135 4.521 0.025 1.00 0.00 C ATOM 358 O GLU A 26 -9.311 4.602 -0.331 1.00 0.00 O ATOM 359 CB GLU A 26 -6.621 5.667 1.678 1.00 0.00 C ATOM 360 CG GLU A 26 -6.880 6.636 2.821 1.00 0.00 C ATOM 361 CD GLU A 26 -7.050 5.935 4.153 1.00 0.00 C ATOM 362 OE1 GLU A 26 -6.028 5.670 4.820 1.00 0.00 O ATOM 363 OE2 GLU A 26 -8.206 5.648 4.531 1.00 0.00 O ATOM 0 H GLU A 26 -6.284 3.211 2.024 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.582 4.961 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.678 5.150 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.505 6.231 0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.052 7.341 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.776 7.217 2.604 1.00 0.00 H new ATOM 370 N ARG A 27 -7.120 4.320 -0.808 1.00 0.00 N ATOM 371 CA ARG A 27 -7.273 4.103 -2.243 1.00 0.00 C ATOM 372 C ARG A 27 -6.005 3.429 -2.755 1.00 0.00 C ATOM 373 O ARG A 27 -5.759 3.341 -3.957 1.00 0.00 O ATOM 374 CB ARG A 27 -7.495 5.432 -2.972 1.00 0.00 C ATOM 375 CG ARG A 27 -7.886 5.284 -4.439 1.00 0.00 C ATOM 376 CD ARG A 27 -8.676 4.009 -4.700 1.00 0.00 C ATOM 377 NE ARG A 27 -8.953 3.813 -6.121 1.00 0.00 N ATOM 378 CZ ARG A 27 -10.154 3.516 -6.605 1.00 0.00 C ATOM 379 NH1 ARG A 27 -11.191 3.395 -5.788 1.00 0.00 N ATOM 380 NH2 ARG A 27 -10.323 3.352 -7.911 1.00 0.00 N ATOM 0 H ARG A 27 -6.148 4.303 -0.499 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.142 3.473 -2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.275 5.991 -2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.582 6.025 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.480 6.146 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.986 5.284 -5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.118 3.154 -4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.616 4.047 -4.150 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.180 3.910 -6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.068 3.530 -4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.112 3.167 -6.163 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.530 3.454 -8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.246 3.124 -8.281 1.00 0.00 H new ATOM 394 N LEU A 28 -5.204 2.967 -1.802 1.00 0.00 N ATOM 395 CA LEU A 28 -3.882 2.420 -2.070 1.00 0.00 C ATOM 396 C LEU A 28 -3.893 1.244 -3.041 1.00 0.00 C ATOM 397 O LEU A 28 -3.462 1.370 -4.187 1.00 0.00 O ATOM 398 CB LEU A 28 -3.264 1.958 -0.745 1.00 0.00 C ATOM 399 CG LEU A 28 -2.328 2.952 -0.058 1.00 0.00 C ATOM 400 CD1 LEU A 28 -1.078 3.179 -0.893 1.00 0.00 C ATOM 401 CD2 LEU A 28 -3.048 4.260 0.213 1.00 0.00 C ATOM 0 H LEU A 28 -5.457 2.962 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.299 3.213 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.072 1.715 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.712 1.036 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.019 2.531 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.426 3.890 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.552 2.234 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.359 3.577 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.367 4.956 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.390 4.689 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.905 4.076 0.860 1.00 0.00 H new ATOM 413 N PHE A 29 -4.306 0.089 -2.541 1.00 0.00 N ATOM 414 CA PHE A 29 -4.269 -1.155 -3.303 1.00 0.00 C ATOM 415 C PHE A 29 -4.694 -0.994 -4.770 1.00 0.00 C ATOM 416 O PHE A 29 -4.011 -1.500 -5.652 1.00 0.00 O ATOM 417 CB PHE A 29 -5.115 -2.226 -2.605 1.00 0.00 C ATOM 418 CG PHE A 29 -4.363 -3.503 -2.345 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.567 -4.073 -3.331 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.439 -4.129 -1.111 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.869 -5.240 -3.089 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.740 -5.295 -0.864 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.959 -5.854 -1.857 1.00 0.00 C ATOM 0 H PHE A 29 -4.676 -0.015 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.226 -1.471 -3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.482 -1.829 -1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.989 -2.446 -3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.493 -3.598 -4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.052 -3.700 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.253 -5.672 -3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.804 -5.769 0.104 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.420 -6.771 -1.669 1.00 0.00 H new ATOM 433 N PRO A 30 -5.809 -0.294 -5.069 1.00 0.00 N ATOM 434 CA PRO A 30 -6.291 -0.136 -6.454 1.00 0.00 C ATOM 435 C PRO A 30 -5.269 0.501 -7.394 1.00 0.00 C ATOM 436 O PRO A 30 -5.085 0.040 -8.525 1.00 0.00 O ATOM 437 CB PRO A 30 -7.507 0.779 -6.311 1.00 0.00 C ATOM 438 CG PRO A 30 -7.967 0.575 -4.915 1.00 0.00 C ATOM 439 CD PRO A 30 -6.724 0.337 -4.103 1.00 0.00 C ATOM 0 HA PRO A 30 -6.505 -1.107 -6.900 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.243 1.821 -6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.286 0.518 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.510 1.447 -4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.646 -0.275 -4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.315 1.268 -3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.919 -0.312 -3.249 1.00 0.00 H new ATOM 447 N LEU A 31 -4.599 1.554 -6.934 1.00 0.00 N ATOM 448 CA LEU A 31 -3.631 2.249 -7.788 1.00 0.00 C ATOM 449 C LEU A 31 -2.402 1.383 -8.001 1.00 0.00 C ATOM 450 O LEU A 31 -1.957 1.173 -9.133 1.00 0.00 O ATOM 451 CB LEU A 31 -3.203 3.597 -7.188 1.00 0.00 C ATOM 452 CG LEU A 31 -3.978 4.053 -5.956 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.023 4.411 -4.828 1.00 0.00 C ATOM 454 CD2 LEU A 31 -4.875 5.231 -6.294 1.00 0.00 C ATOM 0 H LEU A 31 -4.702 1.941 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.121 2.440 -8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.146 3.538 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.299 4.363 -7.958 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.609 3.229 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.593 4.734 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.425 3.538 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.365 5.218 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.419 5.541 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.266 6.060 -6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.584 4.938 -7.068 1.00 0.00 H new ATOM 466 N ILE A 32 -1.874 0.857 -6.912 1.00 0.00 N ATOM 467 CA ILE A 32 -0.710 -0.003 -6.984 1.00 0.00 C ATOM 468 C ILE A 32 -1.087 -1.364 -7.546 1.00 0.00 C ATOM 469 O ILE A 32 -0.221 -2.136 -7.942 1.00 0.00 O ATOM 470 CB ILE A 32 -0.047 -0.180 -5.611 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.421 0.990 -4.695 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.461 -0.278 -5.771 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.036 0.824 -3.265 1.00 0.00 C ATOM 0 H ILE A 32 -2.232 1.010 -5.969 1.00 0.00 H new ATOM 0 HA ILE A 32 0.007 0.480 -7.649 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.406 -1.103 -5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.010 1.906 -5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.504 1.115 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.923 -0.403 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.705 -1.134 -6.400 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.838 0.633 -6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.268 1.694 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.416 -0.073 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.122 0.731 -3.238 1.00 0.00 H new ATOM 485 N GLN A 33 -2.385 -1.653 -7.589 1.00 0.00 N ATOM 486 CA GLN A 33 -2.854 -2.905 -8.169 1.00 0.00 C ATOM 487 C GLN A 33 -2.434 -2.948 -9.626 1.00 0.00 C ATOM 488 O GLN A 33 -1.921 -3.955 -10.112 1.00 0.00 O ATOM 489 CB GLN A 33 -4.371 -3.034 -8.039 1.00 0.00 C ATOM 490 CG GLN A 33 -4.978 -4.105 -8.933 1.00 0.00 C ATOM 491 CD GLN A 33 -5.895 -3.529 -9.994 1.00 0.00 C ATOM 492 OE1 GLN A 33 -7.027 -3.139 -9.707 1.00 0.00 O ATOM 493 NE2 GLN A 33 -5.410 -3.474 -11.229 1.00 0.00 N ATOM 0 H GLN A 33 -3.122 -1.044 -7.233 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.411 -3.744 -7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.619 -3.257 -7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.829 -2.074 -8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.178 -4.666 -9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.537 -4.811 -8.319 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.466 -3.809 -11.422 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.982 -3.097 -11.985 1.00 0.00 H new ATOM 502 N ALA A 34 -2.586 -1.813 -10.297 1.00 0.00 N ATOM 503 CA ALA A 34 -2.122 -1.684 -11.668 1.00 0.00 C ATOM 504 C ALA A 34 -0.599 -1.788 -11.693 1.00 0.00 C ATOM 505 O ALA A 34 -0.008 -2.287 -12.652 1.00 0.00 O ATOM 506 CB ALA A 34 -2.583 -0.365 -12.269 1.00 0.00 C ATOM 0 H ALA A 34 -3.024 -0.975 -9.915 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.546 -2.488 -12.270 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.225 -0.288 -13.296 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.672 -0.322 -12.260 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.183 0.462 -11.682 1.00 0.00 H new ATOM 512 N MET A 35 0.021 -1.352 -10.595 1.00 0.00 N ATOM 513 CA MET A 35 1.475 -1.408 -10.441 1.00 0.00 C ATOM 514 C MET A 35 1.878 -2.587 -9.560 1.00 0.00 C ATOM 515 O MET A 35 2.912 -2.552 -8.892 1.00 0.00 O ATOM 516 CB MET A 35 1.980 -0.108 -9.817 1.00 0.00 C ATOM 517 CG MET A 35 1.331 1.128 -10.408 1.00 0.00 C ATOM 518 SD MET A 35 1.901 2.657 -9.648 1.00 0.00 S ATOM 519 CE MET A 35 0.334 3.464 -9.333 1.00 0.00 C ATOM 0 H MET A 35 -0.467 -0.953 -9.793 1.00 0.00 H new ATOM 0 HA MET A 35 1.922 -1.538 -11.427 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.793 -0.131 -8.743 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.060 -0.043 -9.951 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.536 1.163 -11.478 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.250 1.053 -10.293 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.509 4.505 -9.063 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.284 3.421 -10.230 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.178 2.958 -8.515 1.00 0.00 H new ATOM 529 N HIS A 36 1.039 -3.620 -9.547 1.00 0.00 N ATOM 530 CA HIS A 36 1.270 -4.790 -8.709 1.00 0.00 C ATOM 531 C HIS A 36 2.516 -5.590 -9.121 1.00 0.00 C ATOM 532 O HIS A 36 3.158 -6.184 -8.255 1.00 0.00 O ATOM 533 CB HIS A 36 0.025 -5.686 -8.693 1.00 0.00 C ATOM 534 CG HIS A 36 0.095 -6.866 -9.616 1.00 0.00 C ATOM 535 ND1 HIS A 36 -0.344 -6.787 -10.917 1.00 0.00 N ATOM 536 CD2 HIS A 36 0.545 -8.121 -9.375 1.00 0.00 C ATOM 537 CE1 HIS A 36 -0.146 -7.986 -11.438 1.00 0.00 C ATOM 538 NE2 HIS A 36 0.391 -8.825 -10.541 1.00 0.00 N ATOM 0 H HIS A 36 0.190 -3.669 -10.110 1.00 0.00 H new ATOM 0 HA HIS A 36 1.463 -4.424 -7.700 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.135 -6.045 -7.676 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.844 -5.084 -8.959 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.947 -8.494 -8.445 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.386 -8.255 -12.456 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.638 -9.802 -10.697 1.00 0.00 H new ATOM 546 N PRO A 37 2.882 -5.641 -10.433 1.00 0.00 N ATOM 547 CA PRO A 37 4.065 -6.376 -10.890 1.00 0.00 C ATOM 548 C PRO A 37 5.203 -6.339 -9.874 1.00 0.00 C ATOM 549 O PRO A 37 5.920 -7.325 -9.694 1.00 0.00 O ATOM 550 CB PRO A 37 4.447 -5.627 -12.160 1.00 0.00 C ATOM 551 CG PRO A 37 3.141 -5.189 -12.734 1.00 0.00 C ATOM 552 CD PRO A 37 2.198 -4.988 -11.570 1.00 0.00 C ATOM 0 HA PRO A 37 3.867 -7.437 -11.040 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.092 -4.776 -11.942 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.991 -6.269 -12.853 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.258 -4.265 -13.301 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.751 -5.938 -13.423 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.025 -3.930 -11.376 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.225 -5.440 -11.763 1.00 0.00 H new ATOM 560 N THR A 38 5.340 -5.207 -9.190 1.00 0.00 N ATOM 561 CA THR A 38 6.343 -5.066 -8.145 1.00 0.00 C ATOM 562 C THR A 38 5.856 -5.743 -6.865 1.00 0.00 C ATOM 563 O THR A 38 6.176 -6.904 -6.611 1.00 0.00 O ATOM 564 CB THR A 38 6.643 -3.587 -7.886 1.00 0.00 C ATOM 565 OG1 THR A 38 6.608 -2.850 -9.095 1.00 0.00 O ATOM 566 CG2 THR A 38 7.993 -3.353 -7.244 1.00 0.00 C ATOM 0 H THR A 38 4.769 -4.376 -9.342 1.00 0.00 H new ATOM 0 HA THR A 38 7.264 -5.549 -8.473 1.00 0.00 H new ATOM 0 HB THR A 38 5.869 -3.252 -7.196 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.419 -2.305 -9.170 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.142 -2.284 -7.088 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.034 -3.869 -6.285 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.777 -3.737 -7.896 1.00 0.00 H new ATOM 574 N LEU A 39 5.059 -5.022 -6.076 1.00 0.00 N ATOM 575 CA LEU A 39 4.499 -5.576 -4.844 1.00 0.00 C ATOM 576 C LEU A 39 3.457 -4.636 -4.232 1.00 0.00 C ATOM 577 O LEU A 39 3.636 -4.142 -3.118 1.00 0.00 O ATOM 578 CB LEU A 39 5.610 -5.861 -3.829 1.00 0.00 C ATOM 579 CG LEU A 39 5.450 -7.164 -3.043 1.00 0.00 C ATOM 580 CD1 LEU A 39 6.082 -8.323 -3.799 1.00 0.00 C ATOM 581 CD2 LEU A 39 6.067 -7.029 -1.659 1.00 0.00 C ATOM 0 H LEU A 39 4.788 -4.057 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 39 4.003 -6.512 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.564 -5.887 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.658 -5.032 -3.123 1.00 0.00 H new ATOM 0 HG LEU A 39 4.386 -7.369 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.959 -9.242 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.597 -8.433 -4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.144 -8.126 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.945 -7.965 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.129 -6.801 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.571 -6.225 -1.116 1.00 0.00 H new ATOM 593 N ALA A 40 2.362 -4.409 -4.958 1.00 0.00 N ATOM 594 CA ALA A 40 1.286 -3.539 -4.483 1.00 0.00 C ATOM 595 C ALA A 40 0.854 -3.910 -3.066 1.00 0.00 C ATOM 596 O ALA A 40 0.553 -3.040 -2.249 1.00 0.00 O ATOM 597 CB ALA A 40 0.092 -3.616 -5.427 1.00 0.00 C ATOM 0 H ALA A 40 2.197 -4.816 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 40 1.666 -2.518 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.702 -2.964 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.395 -3.296 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.272 -4.642 -5.470 1.00 0.00 H new ATOM 603 N GLY A 41 0.826 -5.210 -2.792 1.00 0.00 N ATOM 604 CA GLY A 41 0.397 -5.704 -1.494 1.00 0.00 C ATOM 605 C GLY A 41 1.038 -4.993 -0.317 1.00 0.00 C ATOM 606 O GLY A 41 0.352 -4.637 0.640 1.00 0.00 O ATOM 0 H GLY A 41 1.096 -5.938 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.686 -5.604 -1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.624 -6.768 -1.429 1.00 0.00 H new ATOM 610 N LYS A 42 2.356 -4.830 -0.350 1.00 0.00 N ATOM 611 CA LYS A 42 3.061 -4.211 0.769 1.00 0.00 C ATOM 612 C LYS A 42 2.916 -2.691 0.783 1.00 0.00 C ATOM 613 O LYS A 42 2.719 -2.101 1.846 1.00 0.00 O ATOM 614 CB LYS A 42 4.546 -4.593 0.778 1.00 0.00 C ATOM 615 CG LYS A 42 5.264 -4.207 2.068 1.00 0.00 C ATOM 616 CD LYS A 42 4.378 -4.378 3.297 1.00 0.00 C ATOM 617 CE LYS A 42 4.925 -3.609 4.489 1.00 0.00 C ATOM 618 NZ LYS A 42 5.893 -4.422 5.276 1.00 0.00 N ATOM 0 H LYS A 42 2.952 -5.113 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 42 2.591 -4.599 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.638 -5.669 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.043 -4.110 -0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.159 -4.819 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.593 -3.170 2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.370 -4.032 3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.303 -5.436 3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.414 -2.699 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.101 -3.302 5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.509 -3.791 5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.374 -5.050 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.473 -4.994 4.629 1.00 0.00 H new ATOM 632 N ILE A 43 3.026 -2.054 -0.381 1.00 0.00 N ATOM 633 CA ILE A 43 2.937 -0.595 -0.447 1.00 0.00 C ATOM 634 C ILE A 43 1.665 -0.089 0.215 1.00 0.00 C ATOM 635 O ILE A 43 1.723 0.739 1.124 1.00 0.00 O ATOM 636 CB ILE A 43 2.975 -0.060 -1.884 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.141 -0.663 -2.661 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.077 1.454 -1.857 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.282 -0.108 -4.062 1.00 0.00 C ATOM 0 H ILE A 43 3.175 -2.515 -1.279 1.00 0.00 H new ATOM 0 HA ILE A 43 3.814 -0.227 0.086 1.00 0.00 H new ATOM 0 HB ILE A 43 2.055 -0.349 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.065 -0.483 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.010 -1.744 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.104 1.835 -2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.212 1.868 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.988 1.748 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.130 -0.581 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.373 -0.312 -4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.445 0.969 -4.012 1.00 0.00 H new ATOM 651 N THR A 44 0.519 -0.579 -0.252 1.00 0.00 N ATOM 652 CA THR A 44 -0.757 -0.180 0.315 1.00 0.00 C ATOM 653 C THR A 44 -0.681 -0.248 1.831 1.00 0.00 C ATOM 654 O THR A 44 -1.016 0.710 2.522 1.00 0.00 O ATOM 655 CB THR A 44 -1.878 -1.092 -0.194 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.129 -0.699 0.343 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.674 -2.547 0.159 1.00 0.00 C ATOM 0 H THR A 44 0.452 -1.249 -1.018 1.00 0.00 H new ATOM 0 HA THR A 44 -0.977 0.842 0.008 1.00 0.00 H new ATOM 0 HB THR A 44 -1.859 -0.988 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.831 -1.293 0.005 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.504 -3.136 -0.232 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.740 -2.900 -0.279 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.630 -2.656 1.243 1.00 0.00 H new ATOM 665 N GLY A 45 -0.146 -1.357 2.323 1.00 0.00 N ATOM 666 CA GLY A 45 0.002 -1.551 3.749 1.00 0.00 C ATOM 667 C GLY A 45 0.696 -0.397 4.439 1.00 0.00 C ATOM 668 O GLY A 45 0.080 0.320 5.222 1.00 0.00 O ATOM 0 H GLY A 45 0.191 -2.132 1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.983 -1.693 4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.567 -2.466 3.928 1.00 0.00 H new ATOM 672 N MET A 46 1.978 -0.218 4.141 1.00 0.00 N ATOM 673 CA MET A 46 2.781 0.821 4.780 1.00 0.00 C ATOM 674 C MET A 46 2.170 2.206 4.624 1.00 0.00 C ATOM 675 O MET A 46 1.919 2.894 5.613 1.00 0.00 O ATOM 676 CB MET A 46 4.207 0.822 4.222 1.00 0.00 C ATOM 677 CG MET A 46 4.332 0.251 2.821 1.00 0.00 C ATOM 678 SD MET A 46 5.932 0.608 2.078 1.00 0.00 S ATOM 679 CE MET A 46 6.675 -1.022 2.069 1.00 0.00 C ATOM 0 H MET A 46 2.486 -0.781 3.459 1.00 0.00 H new ATOM 0 HA MET A 46 2.805 0.587 5.844 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.582 1.845 4.219 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.847 0.250 4.893 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.183 -0.828 2.856 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.542 0.661 2.192 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.752 -0.930 1.928 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.475 -1.518 3.018 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.251 -1.611 1.255 1.00 0.00 H new ATOM 689 N LEU A 47 1.960 2.630 3.387 1.00 0.00 N ATOM 690 CA LEU A 47 1.439 3.964 3.127 1.00 0.00 C ATOM 691 C LEU A 47 -0.071 4.037 3.331 1.00 0.00 C ATOM 692 O LEU A 47 -0.709 5.015 2.943 1.00 0.00 O ATOM 693 CB LEU A 47 1.825 4.413 1.721 1.00 0.00 C ATOM 694 CG LEU A 47 3.332 4.586 1.517 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.911 3.398 0.766 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.631 5.885 0.789 1.00 0.00 C ATOM 0 H LEU A 47 2.141 2.074 2.552 1.00 0.00 H new ATOM 0 HA LEU A 47 1.888 4.645 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.452 3.683 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.328 5.358 1.503 1.00 0.00 H new ATOM 0 HG LEU A 47 3.807 4.632 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.983 3.540 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.735 2.486 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.431 3.315 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.708 5.987 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.143 5.877 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.257 6.725 1.375 1.00 0.00 H new ATOM 708 N LEU A 48 -0.635 3.020 3.982 1.00 0.00 N ATOM 709 CA LEU A 48 -2.059 3.023 4.302 1.00 0.00 C ATOM 710 C LEU A 48 -2.352 4.125 5.316 1.00 0.00 C ATOM 711 O LEU A 48 -3.506 4.465 5.573 1.00 0.00 O ATOM 712 CB LEU A 48 -2.498 1.656 4.850 1.00 0.00 C ATOM 713 CG LEU A 48 -3.884 1.169 4.405 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.845 2.325 4.191 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.772 0.337 3.139 1.00 0.00 C ATOM 0 H LEU A 48 -0.131 2.190 4.295 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.625 3.216 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.760 0.912 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.482 1.701 5.939 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.286 0.548 5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.815 1.939 3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.960 2.880 5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.451 2.988 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.763 -0.001 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.336 0.942 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.136 -0.528 3.327 1.00 0.00 H new ATOM 727 N GLU A 49 -1.287 4.701 5.867 1.00 0.00 N ATOM 728 CA GLU A 49 -1.409 5.782 6.834 1.00 0.00 C ATOM 729 C GLU A 49 -1.664 7.112 6.128 1.00 0.00 C ATOM 730 O GLU A 49 -1.439 8.181 6.695 1.00 0.00 O ATOM 731 CB GLU A 49 -0.134 5.880 7.675 1.00 0.00 C ATOM 732 CG GLU A 49 0.130 4.651 8.531 1.00 0.00 C ATOM 733 CD GLU A 49 0.289 4.991 10.002 1.00 0.00 C ATOM 734 OE1 GLU A 49 0.139 6.179 10.357 1.00 0.00 O ATOM 735 OE2 GLU A 49 0.562 4.069 10.798 1.00 0.00 O ATOM 0 H GLU A 49 -0.325 4.433 5.657 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.255 5.565 7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.716 6.040 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.202 6.755 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.692 3.945 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.032 4.152 8.177 1.00 0.00 H new ATOM 742 N ILE A 50 -2.132 7.033 4.887 1.00 0.00 N ATOM 743 CA ILE A 50 -2.404 8.224 4.092 1.00 0.00 C ATOM 744 C ILE A 50 -3.784 8.798 4.418 1.00 0.00 C ATOM 745 O ILE A 50 -4.618 8.125 5.022 1.00 0.00 O ATOM 746 CB ILE A 50 -2.289 7.918 2.580 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.598 9.072 1.854 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.652 7.634 1.964 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.958 8.663 0.545 1.00 0.00 C ATOM 0 H ILE A 50 -2.331 6.154 4.409 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.654 8.972 4.348 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.682 7.020 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.327 9.859 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.834 9.496 2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.534 7.423 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.102 6.772 2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.297 8.503 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.486 9.531 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.205 7.897 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.721 8.266 -0.125 1.00 0.00 H new ATOM 761 N ASP A 51 -4.006 10.055 4.040 1.00 0.00 N ATOM 762 CA ASP A 51 -5.268 10.732 4.320 1.00 0.00 C ATOM 763 C ASP A 51 -6.408 10.171 3.478 1.00 0.00 C ATOM 764 O ASP A 51 -6.186 9.612 2.404 1.00 0.00 O ATOM 765 CB ASP A 51 -5.128 12.230 4.053 1.00 0.00 C ATOM 766 CG ASP A 51 -4.484 12.970 5.209 1.00 0.00 C ATOM 767 OD1 ASP A 51 -5.206 13.321 6.166 1.00 0.00 O ATOM 768 OD2 ASP A 51 -3.257 13.197 5.158 1.00 0.00 O ATOM 0 H ASP A 51 -3.326 10.626 3.538 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.506 10.563 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.532 12.381 3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.113 12.654 3.858 1.00 0.00 H new ATOM 773 N ASN A 52 -7.634 10.352 3.964 1.00 0.00 N ATOM 774 CA ASN A 52 -8.818 9.899 3.245 1.00 0.00 C ATOM 775 C ASN A 52 -9.238 10.940 2.213 1.00 0.00 C ATOM 776 O ASN A 52 -9.798 10.607 1.169 1.00 0.00 O ATOM 777 CB ASN A 52 -9.968 9.625 4.218 1.00 0.00 C ATOM 778 CG ASN A 52 -9.928 8.217 4.780 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.490 7.266 4.041 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -9.400 7.985 5.868 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.831 10.810 4.854 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.574 8.970 2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.925 10.342 5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.918 9.782 3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.980 8.745 6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.383 7.033 6.234 1.00 0.00 H new ATOM 787 N SER A 53 -8.961 12.203 2.508 1.00 0.00 N ATOM 788 CA SER A 53 -9.262 13.280 1.575 1.00 0.00 C ATOM 789 C SER A 53 -8.266 13.250 0.425 1.00 0.00 C ATOM 790 O SER A 53 -8.606 13.534 -0.727 1.00 0.00 O ATOM 791 CB SER A 53 -9.210 14.635 2.285 1.00 0.00 C ATOM 792 OG SER A 53 -9.813 15.647 1.497 1.00 0.00 O ATOM 0 H SER A 53 -8.530 12.506 3.382 1.00 0.00 H new ATOM 0 HA SER A 53 -10.269 13.138 1.183 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.720 14.565 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.174 14.901 2.493 1.00 0.00 H new ATOM 0 HG SER A 53 -9.768 16.502 1.973 1.00 0.00 H new ATOM 798 N GLU A 54 -7.036 12.861 0.747 1.00 0.00 N ATOM 799 CA GLU A 54 -5.978 12.763 -0.243 1.00 0.00 C ATOM 800 C GLU A 54 -6.163 11.515 -1.102 1.00 0.00 C ATOM 801 O GLU A 54 -5.762 11.490 -2.265 1.00 0.00 O ATOM 802 CB GLU A 54 -4.606 12.755 0.449 1.00 0.00 C ATOM 803 CG GLU A 54 -3.937 11.390 0.509 1.00 0.00 C ATOM 804 CD GLU A 54 -2.741 11.290 -0.415 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.794 12.087 -0.249 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.751 10.414 -1.306 1.00 0.00 O ATOM 0 H GLU A 54 -6.750 12.608 1.693 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.028 13.633 -0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.945 13.446 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.723 13.133 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.620 11.189 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.663 10.621 0.244 1.00 0.00 H new ATOM 813 N LEU A 55 -6.782 10.482 -0.528 1.00 0.00 N ATOM 814 CA LEU A 55 -7.026 9.245 -1.260 1.00 0.00 C ATOM 815 C LEU A 55 -7.881 9.526 -2.487 1.00 0.00 C ATOM 816 O LEU A 55 -7.564 9.084 -3.591 1.00 0.00 O ATOM 817 CB LEU A 55 -7.693 8.194 -0.353 1.00 0.00 C ATOM 818 CG LEU A 55 -9.230 8.206 -0.291 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.837 7.452 -1.466 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.710 7.601 1.019 1.00 0.00 C ATOM 0 H LEU A 55 -7.120 10.480 0.434 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.069 8.840 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.374 7.206 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.311 8.327 0.659 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.558 9.244 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.924 7.479 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.524 7.920 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.498 6.416 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.799 7.616 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.359 6.572 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.316 8.181 1.854 1.00 0.00 H new ATOM 832 N LEU A 56 -8.944 10.294 -2.286 1.00 0.00 N ATOM 833 CA LEU A 56 -9.858 10.642 -3.366 1.00 0.00 C ATOM 834 C LEU A 56 -9.122 11.347 -4.502 1.00 0.00 C ATOM 835 O LEU A 56 -9.257 10.974 -5.669 1.00 0.00 O ATOM 836 CB LEU A 56 -10.986 11.531 -2.840 1.00 0.00 C ATOM 837 CG LEU A 56 -11.969 12.029 -3.902 1.00 0.00 C ATOM 838 CD1 LEU A 56 -12.737 10.864 -4.509 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.927 13.049 -3.307 1.00 0.00 C ATOM 0 H LEU A 56 -9.195 10.690 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.285 9.719 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.542 10.977 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.545 12.394 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.400 12.514 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.431 11.238 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.037 10.170 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.294 10.348 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.618 13.392 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.489 12.589 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.362 13.898 -2.923 1.00 0.00 H new ATOM 851 N HIS A 57 -8.333 12.356 -4.157 1.00 0.00 N ATOM 852 CA HIS A 57 -7.595 13.120 -5.157 1.00 0.00 C ATOM 853 C HIS A 57 -6.658 12.230 -5.974 1.00 0.00 C ATOM 854 O HIS A 57 -6.265 12.591 -7.081 1.00 0.00 O ATOM 855 CB HIS A 57 -6.790 14.232 -4.483 1.00 0.00 C ATOM 856 CG HIS A 57 -7.599 15.448 -4.154 1.00 0.00 C ATOM 857 ND1 HIS A 57 -7.430 16.628 -4.838 1.00 0.00 N ATOM 858 CD2 HIS A 57 -8.561 15.615 -3.212 1.00 0.00 C ATOM 859 CE1 HIS A 57 -8.286 17.482 -4.302 1.00 0.00 C ATOM 860 NE2 HIS A 57 -8.991 16.912 -3.315 1.00 0.00 N ATOM 0 H HIS A 57 -8.187 12.665 -3.196 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.325 13.556 -5.839 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.347 13.843 -3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.967 14.520 -5.137 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.918 14.870 -2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.402 18.508 -4.619 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.711 17.359 -2.748 1.00 0.00 H new ATOM 868 N MET A 58 -6.302 11.073 -5.426 1.00 0.00 N ATOM 869 CA MET A 58 -5.372 10.162 -6.092 1.00 0.00 C ATOM 870 C MET A 58 -6.029 9.396 -7.239 1.00 0.00 C ATOM 871 O MET A 58 -5.567 9.466 -8.376 1.00 0.00 O ATOM 872 CB MET A 58 -4.774 9.191 -5.077 1.00 0.00 C ATOM 873 CG MET A 58 -3.796 9.843 -4.103 1.00 0.00 C ATOM 874 SD MET A 58 -3.673 11.639 -4.292 1.00 0.00 S ATOM 875 CE MET A 58 -2.439 11.785 -5.585 1.00 0.00 C ATOM 0 H MET A 58 -6.642 10.742 -4.523 1.00 0.00 H new ATOM 0 HA MET A 58 -4.578 10.768 -6.527 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.582 8.729 -4.511 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.261 8.391 -5.612 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.105 9.614 -3.083 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.809 9.403 -4.243 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.717 12.555 -5.314 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.924 10.832 -5.706 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.925 12.057 -6.522 1.00 0.00 H new ATOM 885 N LEU A 59 -7.093 8.652 -6.949 1.00 0.00 N ATOM 886 CA LEU A 59 -7.759 7.872 -7.989 1.00 0.00 C ATOM 887 C LEU A 59 -8.398 8.781 -9.032 1.00 0.00 C ATOM 888 O LEU A 59 -8.855 8.315 -10.076 1.00 0.00 O ATOM 889 CB LEU A 59 -8.798 6.912 -7.397 1.00 0.00 C ATOM 890 CG LEU A 59 -10.023 7.562 -6.751 1.00 0.00 C ATOM 891 CD1 LEU A 59 -11.163 6.560 -6.659 1.00 0.00 C ATOM 892 CD2 LEU A 59 -9.680 8.090 -5.373 1.00 0.00 C ATOM 0 H LEU A 59 -7.507 8.572 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.995 7.271 -8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.140 6.246 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.305 6.291 -6.649 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.339 8.399 -7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.029 7.035 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.428 6.217 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.851 5.709 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.563 8.549 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.342 7.268 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.887 8.834 -5.455 1.00 0.00 H new ATOM 904 N GLU A 60 -8.380 10.085 -8.771 1.00 0.00 N ATOM 905 CA GLU A 60 -8.917 11.056 -9.716 1.00 0.00 C ATOM 906 C GLU A 60 -7.788 11.808 -10.414 1.00 0.00 C ATOM 907 O GLU A 60 -8.015 12.535 -11.382 1.00 0.00 O ATOM 908 CB GLU A 60 -9.842 12.043 -9.004 1.00 0.00 C ATOM 909 CG GLU A 60 -10.846 11.374 -8.084 1.00 0.00 C ATOM 910 CD GLU A 60 -12.130 10.993 -8.795 1.00 0.00 C ATOM 911 OE1 GLU A 60 -12.095 10.816 -10.031 1.00 0.00 O ATOM 912 OE2 GLU A 60 -13.171 10.870 -8.116 1.00 0.00 O ATOM 0 H GLU A 60 -8.001 10.491 -7.916 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.493 10.516 -10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.238 12.741 -8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.379 12.629 -9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.396 10.480 -7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.079 12.046 -7.258 1.00 0.00 H new ATOM 919 N SER A 61 -6.565 11.611 -9.926 1.00 0.00 N ATOM 920 CA SER A 61 -5.391 12.261 -10.503 1.00 0.00 C ATOM 921 C SER A 61 -4.356 11.233 -10.944 1.00 0.00 C ATOM 922 O SER A 61 -3.565 10.759 -10.134 1.00 0.00 O ATOM 923 CB SER A 61 -4.754 13.217 -9.493 1.00 0.00 C ATOM 924 OG SER A 61 -4.194 14.346 -10.141 1.00 0.00 O ATOM 0 H SER A 61 -6.361 11.005 -9.131 1.00 0.00 H new ATOM 0 HA SER A 61 -5.723 12.824 -11.375 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.504 13.543 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.979 12.695 -8.932 1.00 0.00 H new ATOM 0 HG SER A 61 -3.795 14.942 -9.473 1.00 0.00 H new ATOM 930 N PRO A 62 -4.330 10.886 -12.240 1.00 0.00 N ATOM 931 CA PRO A 62 -3.362 9.921 -12.771 1.00 0.00 C ATOM 932 C PRO A 62 -1.930 10.436 -12.669 1.00 0.00 C ATOM 933 O PRO A 62 -0.987 9.657 -12.540 1.00 0.00 O ATOM 934 CB PRO A 62 -3.774 9.762 -14.238 1.00 0.00 C ATOM 935 CG PRO A 62 -4.534 11.003 -14.561 1.00 0.00 C ATOM 936 CD PRO A 62 -5.224 11.408 -13.289 1.00 0.00 C ATOM 0 HA PRO A 62 -3.372 8.983 -12.215 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.902 9.654 -14.883 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.389 8.874 -14.381 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -3.866 11.790 -14.910 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.257 10.822 -15.357 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.338 12.490 -13.219 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.223 10.977 -13.218 1.00 0.00 H new ATOM 944 N GLU A 63 -1.777 11.753 -12.741 1.00 0.00 N ATOM 945 CA GLU A 63 -0.463 12.380 -12.663 1.00 0.00 C ATOM 946 C GLU A 63 0.041 12.453 -11.223 1.00 0.00 C ATOM 947 O GLU A 63 1.164 12.048 -10.929 1.00 0.00 O ATOM 948 CB GLU A 63 -0.510 13.784 -13.268 1.00 0.00 C ATOM 949 CG GLU A 63 -0.700 13.792 -14.776 1.00 0.00 C ATOM 950 CD GLU A 63 0.523 14.297 -15.515 1.00 0.00 C ATOM 951 OE1 GLU A 63 1.648 13.900 -15.144 1.00 0.00 O ATOM 952 OE2 GLU A 63 0.356 15.092 -16.465 1.00 0.00 O ATOM 0 H GLU A 63 -2.550 12.409 -12.854 1.00 0.00 H new ATOM 0 HA GLU A 63 0.231 11.762 -13.232 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.323 14.343 -12.805 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.415 14.307 -13.024 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.933 12.782 -15.114 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.556 14.418 -15.027 1.00 0.00 H new ATOM 959 N SER A 64 -0.789 12.992 -10.334 1.00 0.00 N ATOM 960 CA SER A 64 -0.409 13.163 -8.934 1.00 0.00 C ATOM 961 C SER A 64 -0.295 11.829 -8.210 1.00 0.00 C ATOM 962 O SER A 64 0.589 11.636 -7.375 1.00 0.00 O ATOM 963 CB SER A 64 -1.440 14.034 -8.210 1.00 0.00 C ATOM 964 OG SER A 64 -1.087 14.214 -6.849 1.00 0.00 O ATOM 0 H SER A 64 -1.729 13.318 -10.558 1.00 0.00 H new ATOM 0 HA SER A 64 0.568 13.646 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.512 15.004 -8.702 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.424 13.570 -8.276 1.00 0.00 H new ATOM 0 HG SER A 64 -1.759 14.775 -6.408 1.00 0.00 H new ATOM 970 N LEU A 65 -1.222 10.931 -8.503 1.00 0.00 N ATOM 971 CA LEU A 65 -1.285 9.643 -7.827 1.00 0.00 C ATOM 972 C LEU A 65 -0.243 8.662 -8.358 1.00 0.00 C ATOM 973 O LEU A 65 0.636 8.234 -7.613 1.00 0.00 O ATOM 974 CB LEU A 65 -2.707 9.079 -7.958 1.00 0.00 C ATOM 975 CG LEU A 65 -2.919 7.593 -7.621 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.795 6.746 -8.874 1.00 0.00 C ATOM 977 CD2 LEU A 65 -1.973 7.104 -6.535 1.00 0.00 C ATOM 0 H LEU A 65 -1.945 11.071 -9.208 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.050 9.790 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.362 9.666 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.039 9.241 -8.983 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.929 7.489 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.947 5.697 -8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.547 7.057 -9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.802 6.875 -9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.163 6.050 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.942 7.230 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.134 7.682 -5.625 1.00 0.00 H new ATOM 989 N ARG A 66 -0.367 8.266 -9.618 1.00 0.00 N ATOM 990 CA ARG A 66 0.543 7.278 -10.185 1.00 0.00 C ATOM 991 C ARG A 66 2.002 7.657 -9.944 1.00 0.00 C ATOM 992 O ARG A 66 2.850 6.788 -9.750 1.00 0.00 O ATOM 993 CB ARG A 66 0.283 7.091 -11.676 1.00 0.00 C ATOM 994 CG ARG A 66 0.327 5.636 -12.112 1.00 0.00 C ATOM 995 CD ARG A 66 1.201 5.450 -13.340 1.00 0.00 C ATOM 996 NE ARG A 66 0.666 4.435 -14.244 1.00 0.00 N ATOM 997 CZ ARG A 66 1.303 3.309 -14.550 1.00 0.00 C ATOM 998 NH1 ARG A 66 2.497 3.056 -14.028 1.00 0.00 N ATOM 999 NH2 ARG A 66 0.750 2.436 -15.378 1.00 0.00 N ATOM 0 H ARG A 66 -1.080 8.609 -10.261 1.00 0.00 H new ATOM 0 HA ARG A 66 0.353 6.332 -9.678 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.693 7.509 -11.924 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.024 7.656 -12.241 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.708 5.022 -11.296 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.684 5.289 -12.327 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.288 6.398 -13.870 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.206 5.165 -13.030 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.249 4.600 -14.665 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.927 3.726 -13.391 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.984 2.191 -14.264 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.167 2.627 -15.783 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.241 1.573 -15.611 1.00 0.00 H new ATOM 1013 N SER A 67 2.288 8.957 -9.944 1.00 0.00 N ATOM 1014 CA SER A 67 3.643 9.432 -9.687 1.00 0.00 C ATOM 1015 C SER A 67 4.014 9.200 -8.226 1.00 0.00 C ATOM 1016 O SER A 67 5.158 8.872 -7.906 1.00 0.00 O ATOM 1017 CB SER A 67 3.765 10.919 -10.029 1.00 0.00 C ATOM 1018 OG SER A 67 4.085 11.103 -11.398 1.00 0.00 O ATOM 0 H SER A 67 1.605 9.694 -10.118 1.00 0.00 H new ATOM 0 HA SER A 67 4.331 8.872 -10.321 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.828 11.426 -9.800 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.535 11.376 -9.408 1.00 0.00 H new ATOM 0 HG SER A 67 4.156 12.061 -11.592 1.00 0.00 H new ATOM 1024 N LYS A 68 3.030 9.353 -7.346 1.00 0.00 N ATOM 1025 CA LYS A 68 3.232 9.137 -5.922 1.00 0.00 C ATOM 1026 C LYS A 68 3.530 7.668 -5.647 1.00 0.00 C ATOM 1027 O LYS A 68 4.529 7.332 -5.009 1.00 0.00 O ATOM 1028 CB LYS A 68 1.989 9.578 -5.144 1.00 0.00 C ATOM 1029 CG LYS A 68 1.960 9.090 -3.706 1.00 0.00 C ATOM 1030 CD LYS A 68 1.520 10.189 -2.751 1.00 0.00 C ATOM 1031 CE LYS A 68 0.019 10.416 -2.819 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.314 11.826 -3.163 1.00 0.00 N ATOM 0 H LYS A 68 2.081 9.627 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 68 4.084 9.732 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.936 10.667 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.101 9.213 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.281 8.241 -3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.950 8.735 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.803 9.923 -1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.041 11.115 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.416 9.748 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.431 10.160 -1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.346 11.952 -3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.122 12.465 -2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.049 12.047 -4.112 1.00 0.00 H new ATOM 1046 N VAL A 69 2.663 6.795 -6.150 1.00 0.00 N ATOM 1047 CA VAL A 69 2.838 5.362 -5.978 1.00 0.00 C ATOM 1048 C VAL A 69 4.020 4.864 -6.809 1.00 0.00 C ATOM 1049 O VAL A 69 4.559 3.786 -6.565 1.00 0.00 O ATOM 1050 CB VAL A 69 1.555 4.589 -6.346 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.805 3.091 -6.386 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.448 4.913 -5.357 1.00 0.00 C ATOM 0 H VAL A 69 1.832 7.058 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 69 3.047 5.176 -4.924 1.00 0.00 H new ATOM 0 HB VAL A 69 1.246 4.903 -7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.881 2.575 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.569 2.869 -7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.144 2.753 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.453 4.362 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.762 4.627 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.240 5.983 -5.381 1.00 0.00 H new ATOM 1062 N ASP A 70 4.455 5.678 -7.766 1.00 0.00 N ATOM 1063 CA ASP A 70 5.621 5.334 -8.566 1.00 0.00 C ATOM 1064 C ASP A 70 6.820 5.142 -7.645 1.00 0.00 C ATOM 1065 O ASP A 70 7.505 4.119 -7.695 1.00 0.00 O ATOM 1066 CB ASP A 70 5.909 6.426 -9.597 1.00 0.00 C ATOM 1067 CG ASP A 70 7.170 6.153 -10.394 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.501 4.965 -10.595 1.00 0.00 O ATOM 1069 OD2 ASP A 70 7.825 7.127 -10.822 1.00 0.00 O ATOM 0 H ASP A 70 4.022 6.570 -8.003 1.00 0.00 H new ATOM 0 HA ASP A 70 5.426 4.407 -9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.063 6.510 -10.279 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.005 7.385 -9.089 1.00 0.00 H new ATOM 1074 N GLU A 71 7.027 6.108 -6.756 1.00 0.00 N ATOM 1075 CA GLU A 71 8.088 6.010 -5.765 1.00 0.00 C ATOM 1076 C GLU A 71 7.752 4.915 -4.765 1.00 0.00 C ATOM 1077 O GLU A 71 8.629 4.377 -4.090 1.00 0.00 O ATOM 1078 CB GLU A 71 8.271 7.337 -5.028 1.00 0.00 C ATOM 1079 CG GLU A 71 9.547 7.400 -4.204 1.00 0.00 C ATOM 1080 CD GLU A 71 10.604 8.293 -4.826 1.00 0.00 C ATOM 1081 OE1 GLU A 71 10.243 9.147 -5.664 1.00 0.00 O ATOM 1082 OE2 GLU A 71 11.793 8.139 -4.474 1.00 0.00 O ATOM 0 H GLU A 71 6.475 6.964 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 71 9.019 5.769 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.276 8.150 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.416 7.501 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.311 7.766 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.950 6.394 -4.089 1.00 0.00 H new ATOM 1089 N ALA A 72 6.465 4.595 -4.676 1.00 0.00 N ATOM 1090 CA ALA A 72 5.998 3.557 -3.773 1.00 0.00 C ATOM 1091 C ALA A 72 6.563 2.199 -4.177 1.00 0.00 C ATOM 1092 O ALA A 72 7.048 1.447 -3.339 1.00 0.00 O ATOM 1093 CB ALA A 72 4.483 3.530 -3.736 1.00 0.00 C ATOM 0 H ALA A 72 5.728 5.043 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 72 6.357 3.783 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.150 2.747 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.110 4.494 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.098 3.329 -4.736 1.00 0.00 H new ATOM 1099 N VAL A 73 6.518 1.890 -5.470 1.00 0.00 N ATOM 1100 CA VAL A 73 7.098 0.642 -5.951 1.00 0.00 C ATOM 1101 C VAL A 73 8.581 0.621 -5.611 1.00 0.00 C ATOM 1102 O VAL A 73 9.160 -0.432 -5.344 1.00 0.00 O ATOM 1103 CB VAL A 73 6.906 0.443 -7.471 1.00 0.00 C ATOM 1104 CG1 VAL A 73 5.509 0.877 -7.906 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.981 1.180 -8.259 1.00 0.00 C ATOM 0 H VAL A 73 6.094 2.474 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 73 6.578 -0.178 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 73 7.007 -0.621 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.399 0.727 -8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.763 0.283 -7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.366 1.932 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.822 1.023 -9.326 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.928 2.246 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.963 0.799 -7.979 1.00 0.00 H new ATOM 1115 N ALA A 74 9.169 1.812 -5.563 1.00 0.00 N ATOM 1116 CA ALA A 74 10.576 1.960 -5.217 1.00 0.00 C ATOM 1117 C ALA A 74 10.820 1.589 -3.755 1.00 0.00 C ATOM 1118 O ALA A 74 11.929 1.203 -3.382 1.00 0.00 O ATOM 1119 CB ALA A 74 11.046 3.379 -5.493 1.00 0.00 C ATOM 0 H ALA A 74 8.690 2.691 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 74 11.153 1.277 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.099 3.471 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.916 3.606 -6.551 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.460 4.079 -4.897 1.00 0.00 H new ATOM 1125 N VAL A 75 9.784 1.707 -2.927 1.00 0.00 N ATOM 1126 CA VAL A 75 9.898 1.353 -1.514 1.00 0.00 C ATOM 1127 C VAL A 75 10.039 -0.161 -1.359 1.00 0.00 C ATOM 1128 O VAL A 75 10.732 -0.639 -0.462 1.00 0.00 O ATOM 1129 CB VAL A 75 8.694 1.861 -0.679 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.228 3.216 -1.190 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.551 0.857 -0.688 1.00 0.00 C ATOM 0 H VAL A 75 8.862 2.043 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 75 10.791 1.846 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 75 9.024 1.975 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.382 3.559 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.043 3.935 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.924 3.127 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.723 1.243 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.217 0.695 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.893 -0.087 -0.264 1.00 0.00 H new ATOM 1141 N LEU A 76 9.400 -0.907 -2.262 1.00 0.00 N ATOM 1142 CA LEU A 76 9.466 -2.369 -2.243 1.00 0.00 C ATOM 1143 C LEU A 76 10.843 -2.856 -2.659 1.00 0.00 C ATOM 1144 O LEU A 76 11.492 -3.611 -1.936 1.00 0.00 O ATOM 1145 CB LEU A 76 8.432 -2.969 -3.190 1.00 0.00 C ATOM 1146 CG LEU A 76 7.022 -2.413 -3.060 1.00 0.00 C ATOM 1147 CD1 LEU A 76 6.266 -2.613 -4.362 1.00 0.00 C ATOM 1148 CD2 LEU A 76 6.295 -3.078 -1.901 1.00 0.00 C ATOM 0 H LEU A 76 8.831 -0.522 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 76 9.259 -2.689 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.771 -2.815 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.396 -4.046 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 76 7.078 -1.344 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.257 -2.213 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.785 -2.093 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.213 -3.677 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.288 -2.670 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.238 -4.152 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.838 -2.889 -0.975 1.00 0.00 H new ATOM 1160 N GLN A 77 11.257 -2.461 -3.859 1.00 0.00 N ATOM 1161 CA GLN A 77 12.555 -2.851 -4.387 1.00 0.00 C ATOM 1162 C GLN A 77 13.644 -2.544 -3.372 1.00 0.00 C ATOM 1163 O GLN A 77 14.601 -3.302 -3.211 1.00 0.00 O ATOM 1164 CB GLN A 77 12.823 -2.121 -5.702 1.00 0.00 C ATOM 1165 CG GLN A 77 12.685 -0.612 -5.612 1.00 0.00 C ATOM 1166 CD GLN A 77 14.019 0.104 -5.683 1.00 0.00 C ATOM 1167 OE1 GLN A 77 14.514 0.618 -4.680 1.00 0.00 O ATOM 1168 NE2 GLN A 77 14.608 0.142 -6.872 1.00 0.00 N ATOM 0 H GLN A 77 10.709 -1.870 -4.484 1.00 0.00 H new ATOM 0 HA GLN A 77 12.556 -3.924 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 77 13.830 -2.363 -6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.133 -2.494 -6.459 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.046 -0.261 -6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.187 -0.352 -4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.161 -0.298 -7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.507 0.611 -6.981 1.00 0.00 H new ATOM 1177 N ALA A 78 13.454 -1.444 -2.658 1.00 0.00 N ATOM 1178 CA ALA A 78 14.381 -1.036 -1.611 1.00 0.00 C ATOM 1179 C ALA A 78 14.109 -1.802 -0.317 1.00 0.00 C ATOM 1180 O ALA A 78 15.007 -1.991 0.503 1.00 0.00 O ATOM 1181 CB ALA A 78 14.282 0.464 -1.371 1.00 0.00 C ATOM 0 H ALA A 78 12.662 -0.814 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 78 15.393 -1.271 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.981 0.754 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.527 0.996 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.267 0.717 -1.065 1.00 0.00 H new ATOM 1187 N HIS A 79 12.862 -2.241 -0.144 1.00 0.00 N ATOM 1188 CA HIS A 79 12.470 -2.988 1.049 1.00 0.00 C ATOM 1189 C HIS A 79 13.187 -4.334 1.107 1.00 0.00 C ATOM 1190 O HIS A 79 13.891 -4.629 2.072 1.00 0.00 O ATOM 1191 CB HIS A 79 10.948 -3.196 1.081 1.00 0.00 C ATOM 1192 CG HIS A 79 10.496 -4.198 2.101 1.00 0.00 C ATOM 1193 ND1 HIS A 79 10.156 -5.481 1.742 1.00 0.00 N ATOM 1194 CD2 HIS A 79 10.345 -4.058 3.441 1.00 0.00 C ATOM 1195 CE1 HIS A 79 9.809 -6.090 2.862 1.00 0.00 C ATOM 1196 NE2 HIS A 79 9.908 -5.267 3.915 1.00 0.00 N ATOM 0 H HIS A 79 12.108 -2.092 -0.814 1.00 0.00 H new ATOM 0 HA HIS A 79 12.761 -2.405 1.922 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.464 -2.241 1.284 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.614 -3.519 0.095 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.533 -3.167 4.022 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.487 -7.119 2.921 1.00 0.00 H new ATOM 0 HE2 HIS A 79 9.698 -5.497 4.886 1.00 0.00 H new ATOM 1538 N ASN B 5 9.872 6.609 1.523 1.00 0.00 N ATOM 1539 CA ASN B 5 10.171 7.845 0.807 1.00 0.00 C ATOM 1540 C ASN B 5 8.976 8.793 0.833 1.00 0.00 C ATOM 1541 O ASN B 5 9.077 9.922 1.315 1.00 0.00 O ATOM 1542 CB ASN B 5 10.563 7.539 -0.641 1.00 0.00 C ATOM 1543 CG ASN B 5 11.553 6.396 -0.741 1.00 0.00 C ATOM 1544 OD1 ASN B 5 11.171 5.227 -0.744 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.835 6.731 -0.822 1.00 0.00 N ATOM 0 HA ASN B 5 11.008 8.331 1.308 1.00 0.00 H new ATOM 0 HB2 ASN B 5 9.668 7.292 -1.213 1.00 0.00 H new ATOM 0 HB3 ASN B 5 10.995 8.431 -1.094 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.548 6.005 -0.890 1.00 0.00 H new ATOM 0 HD22 ASN B 5 13.107 7.714 -0.816 1.00 0.00 H new ATOM 1552 N LEU B 6 7.845 8.327 0.312 1.00 0.00 N ATOM 1553 CA LEU B 6 6.628 9.131 0.278 1.00 0.00 C ATOM 1554 C LEU B 6 6.108 9.393 1.688 1.00 0.00 C ATOM 1555 O LEU B 6 6.309 10.472 2.245 1.00 0.00 O ATOM 1556 CB LEU B 6 5.547 8.425 -0.550 1.00 0.00 C ATOM 1557 CG LEU B 6 4.746 9.318 -1.507 1.00 0.00 C ATOM 1558 CD1 LEU B 6 4.507 10.696 -0.904 1.00 0.00 C ATOM 1559 CD2 LEU B 6 5.455 9.435 -2.848 1.00 0.00 C ATOM 0 H LEU B 6 7.746 7.396 -0.093 1.00 0.00 H new ATOM 0 HA LEU B 6 6.869 10.087 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU B 6 6.021 7.635 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.850 7.942 0.135 1.00 0.00 H new ATOM 0 HG LEU B 6 3.775 8.851 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.937 11.306 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.948 10.594 0.026 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.465 11.175 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.872 10.072 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU B 6 6.443 9.872 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.559 8.445 -3.292 1.00 0.00 H new ATOM 1571 N ASN B 7 5.435 8.397 2.258 1.00 0.00 N ATOM 1572 CA ASN B 7 4.880 8.514 3.601 1.00 0.00 C ATOM 1573 C ASN B 7 5.930 8.188 4.658 1.00 0.00 C ATOM 1574 O ASN B 7 6.537 7.119 4.625 1.00 0.00 O ATOM 1575 CB ASN B 7 3.693 7.566 3.769 1.00 0.00 C ATOM 1576 CG ASN B 7 2.566 8.183 4.575 1.00 0.00 C ATOM 1577 OD1 ASN B 7 1.894 9.107 4.119 1.00 0.00 O ATOM 1578 ND2 ASN B 7 2.354 7.669 5.782 1.00 0.00 N ATOM 0 H ASN B 7 5.261 7.498 1.808 1.00 0.00 H new ATOM 0 HA ASN B 7 4.550 9.544 3.734 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.318 7.281 2.786 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.028 6.652 4.260 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.609 8.041 6.371 1.00 0.00 H new ATOM 0 HD22 ASN B 7 2.936 6.903 6.119 1.00 0.00 H new ATOM 1585 N PRO B 8 6.136 9.087 5.634 1.00 0.00 N ATOM 1586 CA PRO B 8 7.095 8.861 6.711 1.00 0.00 C ATOM 1587 C PRO B 8 6.539 7.928 7.781 1.00 0.00 C ATOM 1588 O PRO B 8 7.166 7.708 8.817 1.00 0.00 O ATOM 1589 CB PRO B 8 7.315 10.261 7.277 1.00 0.00 C ATOM 1590 CG PRO B 8 6.021 10.963 7.043 1.00 0.00 C ATOM 1591 CD PRO B 8 5.450 10.389 5.772 1.00 0.00 C ATOM 0 HA PRO B 8 8.009 8.381 6.362 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.562 10.226 8.338 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.139 10.768 6.774 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.339 10.809 7.879 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.174 12.038 6.949 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.369 10.267 5.839 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.645 11.037 4.917 1.00 0.00 H new ATOM 1599 N ASN B 9 5.347 7.395 7.526 1.00 0.00 N ATOM 1600 CA ASN B 9 4.697 6.484 8.462 1.00 0.00 C ATOM 1601 C ASN B 9 4.368 5.155 7.789 1.00 0.00 C ATOM 1602 O ASN B 9 3.277 4.614 7.965 1.00 0.00 O ATOM 1603 CB ASN B 9 3.420 7.118 9.019 1.00 0.00 C ATOM 1604 CG ASN B 9 3.662 8.505 9.584 1.00 0.00 C ATOM 1605 OD1 ASN B 9 3.517 9.507 8.884 1.00 0.00 O ATOM 1606 ND2 ASN B 9 4.032 8.568 10.858 1.00 0.00 N ATOM 0 H ASN B 9 4.811 7.579 6.678 1.00 0.00 H new ATOM 0 HA ASN B 9 5.388 6.293 9.283 1.00 0.00 H new ATOM 0 HB2 ASN B 9 2.672 7.176 8.228 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.010 6.477 9.800 1.00 0.00 H new ATOM 0 HD21 ASN B 9 4.208 9.473 11.294 1.00 0.00 H new ATOM 0 HD22 ASN B 9 4.140 7.711 11.401 1.00 0.00 H new ATOM 1613 N ALA B 10 5.313 4.645 7.005 1.00 0.00 N ATOM 1614 CA ALA B 10 5.130 3.383 6.296 1.00 0.00 C ATOM 1615 C ALA B 10 4.872 2.223 7.262 1.00 0.00 C ATOM 1616 O ALA B 10 5.794 1.497 7.635 1.00 0.00 O ATOM 1617 CB ALA B 10 6.343 3.091 5.420 1.00 0.00 C ATOM 0 H ALA B 10 6.217 5.089 6.844 1.00 0.00 H new ATOM 0 HA ALA B 10 4.249 3.481 5.662 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.195 2.147 4.896 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.469 3.893 4.693 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.234 3.024 6.044 1.00 0.00 H new ATOM 1623 N LYS B 11 3.608 2.044 7.646 1.00 0.00 N ATOM 1624 CA LYS B 11 3.215 0.955 8.541 1.00 0.00 C ATOM 1625 C LYS B 11 2.245 0.017 7.829 1.00 0.00 C ATOM 1626 O LYS B 11 1.244 0.462 7.278 1.00 0.00 O ATOM 1627 CB LYS B 11 2.573 1.511 9.813 1.00 0.00 C ATOM 1628 CG LYS B 11 3.252 2.767 10.336 1.00 0.00 C ATOM 1629 CD LYS B 11 3.845 2.548 11.719 1.00 0.00 C ATOM 1630 CE LYS B 11 2.803 2.736 12.809 1.00 0.00 C ATOM 1631 NZ LYS B 11 2.545 4.175 13.088 1.00 0.00 N ATOM 0 H LYS B 11 2.836 2.641 7.350 1.00 0.00 H new ATOM 0 HA LYS B 11 4.108 0.396 8.821 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.524 1.730 9.615 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.598 0.745 10.588 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.039 3.070 9.646 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.530 3.583 10.374 1.00 0.00 H new ATOM 0 HD2 LYS B 11 4.262 1.543 11.782 1.00 0.00 H new ATOM 0 HD3 LYS B 11 4.668 3.245 11.877 1.00 0.00 H new ATOM 0 HE2 LYS B 11 1.873 2.252 12.510 1.00 0.00 H new ATOM 0 HE3 LYS B 11 3.139 2.244 13.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.206 4.284 14.065 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 3.425 4.716 12.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 1.824 4.532 12.429 1.00 0.00 H new ATOM 1645 N GLU B 12 2.553 -1.278 7.851 1.00 0.00 N ATOM 1646 CA GLU B 12 1.768 -2.290 7.137 1.00 0.00 C ATOM 1647 C GLU B 12 0.258 -2.144 7.347 1.00 0.00 C ATOM 1648 O GLU B 12 -0.200 -1.432 8.241 1.00 0.00 O ATOM 1649 CB GLU B 12 2.206 -3.688 7.576 1.00 0.00 C ATOM 1650 CG GLU B 12 2.218 -4.707 6.448 1.00 0.00 C ATOM 1651 CD GLU B 12 2.726 -6.064 6.892 1.00 0.00 C ATOM 1652 OE1 GLU B 12 3.940 -6.186 7.156 1.00 0.00 O ATOM 1653 OE2 GLU B 12 1.909 -7.005 6.976 1.00 0.00 O ATOM 0 H GLU B 12 3.350 -1.657 8.362 1.00 0.00 H new ATOM 0 HA GLU B 12 1.960 -2.140 6.074 1.00 0.00 H new ATOM 0 HB2 GLU B 12 3.204 -3.627 8.009 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.538 -4.038 8.363 1.00 0.00 H new ATOM 0 HG2 GLU B 12 1.209 -4.814 6.049 1.00 0.00 H new ATOM 0 HG3 GLU B 12 2.844 -4.337 5.636 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.503 -2.866 6.522 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.965 -2.860 6.580 1.00 0.00 C ATOM 1662 C PHE B 13 -2.449 -3.907 7.575 1.00 0.00 C ATOM 1663 O PHE B 13 -2.644 -5.071 7.221 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.534 -3.170 5.184 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.893 -2.590 4.885 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.581 -1.824 5.818 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.485 -2.821 3.650 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.827 -1.301 5.520 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.728 -2.298 3.349 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.396 -1.534 4.283 1.00 0.00 C ATOM 0 H PHE B 13 -0.122 -3.471 5.795 1.00 0.00 H new ATOM 0 HA PHE B 13 -2.308 -1.877 6.903 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.831 -2.803 4.436 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.588 -4.252 5.067 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.139 -1.635 6.785 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.966 -3.418 2.914 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.355 -0.711 6.255 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -6.176 -2.487 2.384 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.364 -1.118 4.047 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.619 2.862 9.582 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.146 4.062 8.900 1.00 0.00 C ATOM 1735 C LYS B 18 -7.729 4.413 9.345 1.00 0.00 C ATOM 1736 O LYS B 18 -7.533 5.158 10.306 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.088 5.238 9.172 1.00 0.00 C ATOM 1738 CG LYS B 18 -10.645 5.260 10.586 1.00 0.00 C ATOM 1739 CD LYS B 18 -12.153 5.054 10.595 1.00 0.00 C ATOM 1740 CE LYS B 18 -12.697 4.977 12.011 1.00 0.00 C ATOM 1741 NZ LYS B 18 -14.122 5.401 12.083 1.00 0.00 N ATOM 0 HA LYS B 18 -9.133 3.861 7.829 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.554 6.170 8.987 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.917 5.199 8.465 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.167 4.480 11.179 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.404 6.212 11.058 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.636 5.873 10.063 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.399 4.137 10.059 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.603 3.956 12.381 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.097 5.609 12.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.455 5.334 13.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.209 6.384 11.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -14.699 4.782 11.479 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.745 3.860 8.643 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.344 4.097 8.966 1.00 0.00 C ATOM 1757 C TYR B 19 -4.906 5.484 8.510 1.00 0.00 C ATOM 1758 O TYR B 19 -4.954 5.803 7.322 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.467 3.023 8.309 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.309 2.543 9.164 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.188 2.916 10.500 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.339 1.703 8.630 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.131 2.473 11.272 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.281 1.255 9.398 1.00 0.00 C ATOM 1765 CZ TYR B 19 -1.183 1.640 10.717 1.00 0.00 C ATOM 1766 OH TYR B 19 -0.129 1.197 11.483 1.00 0.00 O ATOM 0 H TYR B 19 -6.894 3.243 7.845 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.227 4.043 10.048 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.093 2.167 8.055 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.071 3.418 7.373 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -3.933 3.562 10.940 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.413 1.395 7.597 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -2.048 2.778 12.305 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.534 0.606 8.966 1.00 0.00 H new ATOM 0 HH TYR B 19 0.312 0.448 11.031 1.00 0.00 H new