USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 945 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 Single : A 5 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.72) USER MOD Single : A 13 ASN : amide:sc= -9.82! C(o=-9.8!,f=-6!) USER MOD Single : A 15 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.88!) USER MOD Single : A 16 ASN : amide:sc= -1.92! C(o=-1.9!,f=-1.2!) USER MOD Single : A 21 THR OG1 : rot 160:sc= -2.85! USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= -0.939 (180deg=-1.19) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0176) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00713 USER MOD Single : A 48 GLN : amide:sc= -4.85! C(o=-4.9!,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -0.0936 K(o=-0.094,f=-0.99) USER MOD Single : A 61 THR OG1 : rot -164:sc= -1.5 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 64 HIS : no HD1:sc= -0.739 K(o=-0.74,f=-0.05) USER MOD Single : A 66 SER OG : rot -18:sc= 0.841 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -3.76! K(o=-3.8!,f=-1.4) USER MOD Single : A 81 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc=-0.00249 (180deg=-0.0752) USER MOD Single : A 100 GLN : amide:sc= -0.0591 K(o=-0.059,f=-2.2!) USER MOD Single : A 105 MET CE :methyl -123:sc= -11.2! (180deg=-15.4!) USER MOD Single : A 106 SER OG : rot 160:sc= -3.25! USER MOD Single : A 111 ASN : amide:sc= -0.371 K(o=-0.37,f=-3.7!) USER MOD Single : A 119 ASN : amide:sc= -7.74! C(o=-7.7!,f=-9.3!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 4 13.249 9.429 5.122 1.00 0.00 N ATOM 65 CA LEU A 4 12.399 8.340 5.676 1.00 0.00 C ATOM 66 C LEU A 4 11.488 7.804 4.571 1.00 0.00 C ATOM 67 O LEU A 4 10.954 8.552 3.777 1.00 0.00 O ATOM 68 CB LEU A 4 11.546 8.889 6.820 1.00 0.00 C ATOM 69 CG LEU A 4 11.104 7.736 7.720 1.00 0.00 C ATOM 70 CD1 LEU A 4 12.311 7.206 8.497 1.00 0.00 C ATOM 71 CD2 LEU A 4 10.045 8.238 8.701 1.00 0.00 C ATOM 0 HA LEU A 4 13.032 7.536 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.116 9.617 7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.675 9.409 6.422 1.00 0.00 H new ATOM 0 HG LEU A 4 10.685 6.935 7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.997 6.383 9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.067 6.851 7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 4 12.729 8.005 9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.727 7.418 9.345 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.465 9.037 9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.187 8.618 8.147 1.00 0.00 H new ATOM 83 N GLN A 5 11.307 6.514 4.511 1.00 0.00 N ATOM 84 CA GLN A 5 10.434 5.932 3.455 1.00 0.00 C ATOM 85 C GLN A 5 9.669 4.739 4.028 1.00 0.00 C ATOM 86 O GLN A 5 10.070 4.144 5.009 1.00 0.00 O ATOM 87 CB GLN A 5 11.303 5.455 2.284 1.00 0.00 C ATOM 88 CG GLN A 5 10.412 4.921 1.162 1.00 0.00 C ATOM 89 CD GLN A 5 11.006 5.314 -0.194 1.00 0.00 C ATOM 90 OE1 GLN A 5 10.290 5.731 -1.083 1.00 0.00 O ATOM 91 NE2 GLN A 5 12.291 5.199 -0.392 1.00 0.00 N ATOM 0 H GLN A 5 11.727 5.837 5.149 1.00 0.00 H new ATOM 0 HA GLN A 5 9.730 6.688 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.915 6.278 1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.987 4.675 2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.329 3.837 1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.404 5.325 1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 5 12.893 4.849 0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.694 5.459 -1.292 1.00 0.00 H new ATOM 100 N ILE A 6 8.578 4.371 3.415 1.00 0.00 N ATOM 101 CA ILE A 6 7.799 3.204 3.912 1.00 0.00 C ATOM 102 C ILE A 6 7.674 2.190 2.772 1.00 0.00 C ATOM 103 O ILE A 6 7.970 2.486 1.631 1.00 0.00 O ATOM 104 CB ILE A 6 6.413 3.674 4.387 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.479 3.983 5.885 1.00 0.00 C ATOM 106 CG2 ILE A 6 5.357 2.584 4.152 1.00 0.00 C ATOM 107 CD1 ILE A 6 6.661 5.486 6.089 1.00 0.00 C ATOM 0 H ILE A 6 8.192 4.830 2.590 1.00 0.00 H new ATOM 0 HA ILE A 6 8.303 2.735 4.757 1.00 0.00 H new ATOM 0 HB ILE A 6 6.133 4.563 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.566 3.647 6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.306 3.441 6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.385 2.939 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.304 2.353 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.632 1.686 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.708 5.705 7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.586 5.809 5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.819 6.018 5.646 1.00 0.00 H new ATOM 119 N ALA A 7 7.248 0.997 3.067 1.00 0.00 N ATOM 120 CA ALA A 7 7.122 -0.026 1.993 1.00 0.00 C ATOM 121 C ALA A 7 5.736 -0.668 2.056 1.00 0.00 C ATOM 122 O ALA A 7 5.518 -1.625 2.771 1.00 0.00 O ATOM 123 CB ALA A 7 8.192 -1.100 2.189 1.00 0.00 C ATOM 0 H ALA A 7 6.982 0.685 4.001 1.00 0.00 H new ATOM 0 HA ALA A 7 7.255 0.449 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.102 -1.851 1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.180 -0.642 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.058 -1.574 3.161 1.00 0.00 H new ATOM 129 N VAL A 8 4.796 -0.153 1.309 1.00 0.00 N ATOM 130 CA VAL A 8 3.423 -0.748 1.333 1.00 0.00 C ATOM 131 C VAL A 8 3.210 -1.611 0.092 1.00 0.00 C ATOM 132 O VAL A 8 3.836 -1.419 -0.931 1.00 0.00 O ATOM 133 CB VAL A 8 2.365 0.358 1.358 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.544 1.273 0.154 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.974 -0.270 1.289 1.00 0.00 C ATOM 0 H VAL A 8 4.915 0.647 0.687 1.00 0.00 H new ATOM 0 HA VAL A 8 3.327 -1.360 2.230 1.00 0.00 H new ATOM 0 HB VAL A 8 2.475 0.933 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.788 2.058 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.536 1.724 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.436 0.693 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.219 0.516 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.879 -0.844 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.830 -0.931 2.144 1.00 0.00 H new ATOM 145 N GLY A 9 2.319 -2.555 0.178 1.00 0.00 N ATOM 146 CA GLY A 9 2.041 -3.434 -0.988 1.00 0.00 C ATOM 147 C GLY A 9 0.539 -3.687 -1.062 1.00 0.00 C ATOM 148 O GLY A 9 -0.072 -4.125 -0.108 1.00 0.00 O ATOM 0 H GLY A 9 1.767 -2.757 1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.391 -2.964 -1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.579 -4.377 -0.887 1.00 0.00 H new ATOM 152 N ILE A 10 -0.070 -3.412 -2.180 1.00 0.00 N ATOM 153 CA ILE A 10 -1.522 -3.633 -2.294 1.00 0.00 C ATOM 154 C ILE A 10 -1.732 -4.899 -3.123 1.00 0.00 C ATOM 155 O ILE A 10 -0.858 -5.305 -3.861 1.00 0.00 O ATOM 156 CB ILE A 10 -2.161 -2.410 -2.955 1.00 0.00 C ATOM 157 CG1 ILE A 10 -1.307 -1.154 -2.678 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.543 -2.213 -2.358 1.00 0.00 C ATOM 159 CD1 ILE A 10 -1.703 -0.049 -3.653 1.00 0.00 C ATOM 0 H ILE A 10 0.382 -3.043 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.990 -3.764 -1.318 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.226 -2.564 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.455 -0.819 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.248 -1.389 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.017 -1.345 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.150 -3.099 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.456 -2.054 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.102 0.839 -3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.533 -0.387 -4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.758 0.191 -3.521 1.00 0.00 H new ATOM 171 N ILE A 11 -2.843 -5.569 -2.980 1.00 0.00 N ATOM 172 CA ILE A 11 -3.006 -6.842 -3.744 1.00 0.00 C ATOM 173 C ILE A 11 -4.457 -7.073 -4.140 1.00 0.00 C ATOM 174 O ILE A 11 -5.362 -6.872 -3.368 1.00 0.00 O ATOM 175 CB ILE A 11 -2.538 -7.991 -2.853 1.00 0.00 C ATOM 176 CG1 ILE A 11 -1.371 -7.492 -2.004 1.00 0.00 C ATOM 177 CG2 ILE A 11 -2.090 -9.175 -3.711 1.00 0.00 C ATOM 178 CD1 ILE A 11 -0.709 -8.652 -1.257 1.00 0.00 C ATOM 0 H ILE A 11 -3.627 -5.301 -2.384 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.416 -6.785 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.355 -8.323 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.637 -6.997 -2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.726 -6.749 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.759 -9.988 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.924 -9.516 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.268 -8.866 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.120 -8.274 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.440 -9.129 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.334 -9.381 -1.976 1.00 0.00 H new ATOM 190 N ARG A 12 -4.670 -7.524 -5.339 1.00 0.00 N ATOM 191 CA ARG A 12 -6.062 -7.801 -5.809 1.00 0.00 C ATOM 192 C ARG A 12 -6.069 -9.086 -6.644 1.00 0.00 C ATOM 193 O ARG A 12 -5.292 -9.242 -7.564 1.00 0.00 O ATOM 194 CB ARG A 12 -6.564 -6.636 -6.660 1.00 0.00 C ATOM 195 CG ARG A 12 -8.043 -6.849 -6.987 1.00 0.00 C ATOM 196 CD ARG A 12 -8.387 -6.108 -8.277 1.00 0.00 C ATOM 197 NE ARG A 12 -7.651 -6.730 -9.415 1.00 0.00 N ATOM 198 CZ ARG A 12 -7.992 -6.456 -10.646 1.00 0.00 C ATOM 199 NH1 ARG A 12 -7.768 -5.268 -11.137 1.00 0.00 N ATOM 200 NH2 ARG A 12 -8.554 -7.372 -11.387 1.00 0.00 N ATOM 0 H ARG A 12 -3.938 -7.716 -6.023 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.717 -7.921 -4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.430 -5.696 -6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.983 -6.565 -7.580 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.253 -7.913 -7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.664 -6.485 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.461 -6.149 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.119 -5.055 -8.188 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.879 -7.371 -9.232 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.326 -4.552 -10.560 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.035 -5.055 -12.098 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.727 -8.302 -11.005 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.820 -7.158 -12.348 1.00 0.00 H new ATOM 214 N ASN A 13 -6.924 -10.015 -6.315 1.00 0.00 N ATOM 215 CA ASN A 13 -6.962 -11.302 -7.075 1.00 0.00 C ATOM 216 C ASN A 13 -8.220 -11.377 -7.950 1.00 0.00 C ATOM 217 O ASN A 13 -8.931 -10.408 -8.122 1.00 0.00 O ATOM 218 CB ASN A 13 -6.955 -12.480 -6.093 1.00 0.00 C ATOM 219 CG ASN A 13 -7.759 -12.126 -4.838 1.00 0.00 C ATOM 220 OD1 ASN A 13 -7.372 -12.475 -3.740 1.00 0.00 O ATOM 221 ND2 ASN A 13 -8.866 -11.446 -4.950 1.00 0.00 N ATOM 0 H ASN A 13 -7.599 -9.941 -5.554 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.083 -11.351 -7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.381 -13.363 -6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.930 -12.729 -5.819 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.405 -11.208 -4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.193 -11.152 -5.870 1.00 0.00 H new ATOM 228 N GLU A 14 -8.490 -12.533 -8.505 1.00 0.00 N ATOM 229 CA GLU A 14 -9.691 -12.696 -9.376 1.00 0.00 C ATOM 230 C GLU A 14 -10.961 -12.595 -8.540 1.00 0.00 C ATOM 231 O GLU A 14 -12.058 -12.578 -9.061 1.00 0.00 O ATOM 232 CB GLU A 14 -9.639 -14.059 -10.050 1.00 0.00 C ATOM 233 CG GLU A 14 -10.376 -14.000 -11.390 1.00 0.00 C ATOM 234 CD GLU A 14 -9.363 -14.069 -12.534 1.00 0.00 C ATOM 235 OE1 GLU A 14 -8.362 -14.748 -12.373 1.00 0.00 O ATOM 236 OE2 GLU A 14 -9.605 -13.442 -13.551 1.00 0.00 O ATOM 0 H GLU A 14 -7.925 -13.375 -8.390 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.697 -11.908 -10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.603 -14.359 -10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.094 -14.811 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.082 -14.827 -11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.955 -13.079 -11.458 1.00 0.00 H new ATOM 243 N ASN A 15 -10.824 -12.499 -7.249 1.00 0.00 N ATOM 244 CA ASN A 15 -12.027 -12.365 -6.388 1.00 0.00 C ATOM 245 C ASN A 15 -12.500 -10.910 -6.446 1.00 0.00 C ATOM 246 O ASN A 15 -13.398 -10.506 -5.734 1.00 0.00 O ATOM 247 CB ASN A 15 -11.670 -12.736 -4.946 1.00 0.00 C ATOM 248 CG ASN A 15 -12.948 -13.040 -4.164 1.00 0.00 C ATOM 249 OD1 ASN A 15 -13.895 -12.279 -4.203 1.00 0.00 O ATOM 250 ND2 ASN A 15 -13.015 -14.129 -3.449 1.00 0.00 N ATOM 0 H ASN A 15 -9.932 -12.508 -6.754 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.817 -13.030 -6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.010 -13.603 -4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.128 -11.917 -4.473 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.862 -14.342 -2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.220 -14.767 -3.416 1.00 0.00 H new ATOM 257 N ASN A 16 -11.902 -10.122 -7.306 1.00 0.00 N ATOM 258 CA ASN A 16 -12.306 -8.700 -7.436 1.00 0.00 C ATOM 259 C ASN A 16 -12.258 -8.021 -6.065 1.00 0.00 C ATOM 260 O ASN A 16 -13.144 -7.282 -5.686 1.00 0.00 O ATOM 261 CB ASN A 16 -13.718 -8.640 -8.016 1.00 0.00 C ATOM 262 CG ASN A 16 -14.249 -7.206 -7.967 1.00 0.00 C ATOM 263 OD1 ASN A 16 -15.378 -6.976 -7.584 1.00 0.00 O ATOM 264 ND2 ASN A 16 -13.474 -6.224 -8.342 1.00 0.00 N ATOM 0 H ASN A 16 -11.146 -10.412 -7.926 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.621 -8.175 -8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.712 -8.998 -9.045 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -14.379 -9.300 -7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.817 -5.264 -8.313 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.526 -6.417 -8.664 1.00 0.00 H new ATOM 271 N GLU A 17 -11.216 -8.261 -5.326 1.00 0.00 N ATOM 272 CA GLU A 17 -11.082 -7.627 -3.987 1.00 0.00 C ATOM 273 C GLU A 17 -9.620 -7.232 -3.786 1.00 0.00 C ATOM 274 O GLU A 17 -8.727 -7.820 -4.362 1.00 0.00 O ATOM 275 CB GLU A 17 -11.501 -8.620 -2.903 1.00 0.00 C ATOM 276 CG GLU A 17 -12.874 -9.201 -3.250 1.00 0.00 C ATOM 277 CD GLU A 17 -13.748 -9.233 -1.996 1.00 0.00 C ATOM 278 OE1 GLU A 17 -13.286 -8.775 -0.963 1.00 0.00 O ATOM 279 OE2 GLU A 17 -14.864 -9.715 -2.088 1.00 0.00 O ATOM 0 H GLU A 17 -10.445 -8.873 -5.593 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.721 -6.746 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.765 -9.420 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.538 -8.123 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.351 -8.598 -4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.763 -10.207 -3.654 1.00 0.00 H new ATOM 286 N ILE A 18 -9.361 -6.240 -2.984 1.00 0.00 N ATOM 287 CA ILE A 18 -7.951 -5.820 -2.768 1.00 0.00 C ATOM 288 C ILE A 18 -7.596 -5.968 -1.285 1.00 0.00 C ATOM 289 O ILE A 18 -8.463 -6.077 -0.446 1.00 0.00 O ATOM 290 CB ILE A 18 -7.781 -4.358 -3.188 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.755 -4.035 -4.324 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.348 -4.130 -3.670 1.00 0.00 C ATOM 293 CD1 ILE A 18 -8.627 -2.560 -4.708 1.00 0.00 C ATOM 0 H ILE A 18 -10.061 -5.704 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.291 -6.448 -3.366 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.988 -3.710 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.544 -4.665 -5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.777 -4.253 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.226 -3.089 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.652 -4.359 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.143 -4.779 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.321 -2.333 -5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.860 -1.938 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.608 -2.357 -5.037 1.00 0.00 H new ATOM 305 N PHE A 19 -6.334 -5.962 -0.947 1.00 0.00 N ATOM 306 CA PHE A 19 -5.961 -6.089 0.489 1.00 0.00 C ATOM 307 C PHE A 19 -5.246 -4.817 0.936 1.00 0.00 C ATOM 308 O PHE A 19 -4.066 -4.641 0.708 1.00 0.00 O ATOM 309 CB PHE A 19 -5.036 -7.288 0.697 1.00 0.00 C ATOM 310 CG PHE A 19 -4.745 -7.423 2.173 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.678 -8.038 3.016 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.549 -6.921 2.702 1.00 0.00 C ATOM 313 CE1 PHE A 19 -5.416 -8.152 4.387 1.00 0.00 C ATOM 314 CE2 PHE A 19 -3.287 -7.035 4.073 1.00 0.00 C ATOM 315 CZ PHE A 19 -4.221 -7.650 4.916 1.00 0.00 C ATOM 0 H PHE A 19 -5.553 -5.875 -1.597 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.866 -6.237 1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.504 -8.197 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.109 -7.152 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.600 -8.425 2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.829 -6.446 2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.136 -8.627 5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.364 -6.649 4.480 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.020 -7.737 5.973 1.00 0.00 H new ATOM 325 N ILE A 20 -5.955 -3.928 1.571 1.00 0.00 N ATOM 326 CA ILE A 20 -5.335 -2.670 2.035 1.00 0.00 C ATOM 327 C ILE A 20 -5.472 -2.600 3.551 1.00 0.00 C ATOM 328 O ILE A 20 -5.676 -3.602 4.208 1.00 0.00 O ATOM 329 CB ILE A 20 -6.066 -1.494 1.396 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.553 -1.884 0.000 1.00 0.00 C ATOM 331 CG2 ILE A 20 -5.115 -0.320 1.277 1.00 0.00 C ATOM 332 CD1 ILE A 20 -8.021 -2.294 0.074 1.00 0.00 C ATOM 0 H ILE A 20 -6.947 -4.025 1.788 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.282 -2.633 1.756 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.920 -1.222 2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.432 -1.047 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.953 -2.706 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.633 0.523 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.762 -0.036 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.265 -0.602 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.371 -2.573 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.128 -3.144 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.614 -1.459 0.447 1.00 0.00 H new ATOM 344 N THR A 21 -5.368 -1.437 4.119 1.00 0.00 N ATOM 345 CA THR A 21 -5.501 -1.339 5.590 1.00 0.00 C ATOM 346 C THR A 21 -6.658 -0.402 5.937 1.00 0.00 C ATOM 347 O THR A 21 -6.786 0.676 5.392 1.00 0.00 O ATOM 348 CB THR A 21 -4.209 -0.800 6.179 1.00 0.00 C ATOM 349 OG1 THR A 21 -3.469 -0.128 5.169 1.00 0.00 O ATOM 350 CG2 THR A 21 -3.378 -1.952 6.746 1.00 0.00 C ATOM 0 H THR A 21 -5.198 -0.557 3.632 1.00 0.00 H new ATOM 0 HA THR A 21 -5.702 -2.327 6.005 1.00 0.00 H new ATOM 0 HB THR A 21 -4.444 -0.100 6.981 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.823 0.479 5.586 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.452 -1.560 7.167 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.945 -2.460 7.526 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.144 -2.658 5.949 1.00 0.00 H new ATOM 358 N ARG A 22 -7.509 -0.812 6.836 1.00 0.00 N ATOM 359 CA ARG A 22 -8.661 0.035 7.216 1.00 0.00 C ATOM 360 C ARG A 22 -8.965 -0.146 8.706 1.00 0.00 C ATOM 361 O ARG A 22 -9.044 -1.253 9.201 1.00 0.00 O ATOM 362 CB ARG A 22 -9.871 -0.395 6.395 1.00 0.00 C ATOM 363 CG ARG A 22 -10.390 0.800 5.604 1.00 0.00 C ATOM 364 CD ARG A 22 -11.684 0.414 4.886 1.00 0.00 C ATOM 365 NE ARG A 22 -12.853 0.983 5.618 1.00 0.00 N ATOM 366 CZ ARG A 22 -12.846 1.041 6.923 1.00 0.00 C ATOM 367 NH1 ARG A 22 -13.105 -0.028 7.627 1.00 0.00 N ATOM 368 NH2 ARG A 22 -12.581 2.168 7.525 1.00 0.00 N ATOM 0 H ARG A 22 -7.451 -1.706 7.324 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.431 1.083 7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.597 -1.204 5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.652 -0.779 7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.570 1.642 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.642 1.123 4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.668 0.786 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.771 -0.671 4.830 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.660 1.328 5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.313 -0.910 7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.099 0.019 8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.379 3.004 6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.576 2.213 8.544 1.00 0.00 H new ATOM 492 N ASN A 31 -16.176 6.886 5.639 1.00 0.00 N ATOM 493 CA ASN A 31 -15.356 5.752 5.133 1.00 0.00 C ATOM 494 C ASN A 31 -13.938 6.251 4.853 1.00 0.00 C ATOM 495 O ASN A 31 -13.742 7.375 4.431 1.00 0.00 O ATOM 496 CB ASN A 31 -15.981 5.211 3.844 1.00 0.00 C ATOM 497 CG ASN A 31 -17.424 4.781 4.121 1.00 0.00 C ATOM 498 OD1 ASN A 31 -17.737 4.325 5.203 1.00 0.00 O ATOM 499 ND2 ASN A 31 -18.324 4.910 3.183 1.00 0.00 N ATOM 0 HA ASN A 31 -15.321 4.955 5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.960 5.976 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.402 4.365 3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.288 4.628 3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.062 5.293 2.274 1.00 0.00 H new ATOM 506 N LYS A 32 -12.944 5.439 5.091 1.00 0.00 N ATOM 507 CA LYS A 32 -11.545 5.893 4.843 1.00 0.00 C ATOM 508 C LYS A 32 -10.622 4.684 4.681 1.00 0.00 C ATOM 509 O LYS A 32 -10.674 3.742 5.446 1.00 0.00 O ATOM 510 CB LYS A 32 -11.071 6.734 6.031 1.00 0.00 C ATOM 511 CG LYS A 32 -10.895 5.836 7.258 1.00 0.00 C ATOM 512 CD LYS A 32 -9.444 5.353 7.336 1.00 0.00 C ATOM 513 CE LYS A 32 -8.721 6.083 8.470 1.00 0.00 C ATOM 514 NZ LYS A 32 -8.902 7.554 8.309 1.00 0.00 N ATOM 0 H LYS A 32 -13.038 4.487 5.444 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.518 6.488 3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.128 7.225 5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.795 7.521 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.156 6.384 8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.570 4.983 7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.417 4.277 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.937 5.538 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.115 5.761 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.660 5.833 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.207 8.056 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.763 7.814 7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.863 7.820 8.605 1.00 0.00 H new ATOM 528 N LEU A 33 -9.766 4.712 3.696 1.00 0.00 N ATOM 529 CA LEU A 33 -8.831 3.585 3.488 1.00 0.00 C ATOM 530 C LEU A 33 -7.418 4.093 3.713 1.00 0.00 C ATOM 531 O LEU A 33 -7.215 5.201 4.168 1.00 0.00 O ATOM 532 CB LEU A 33 -8.955 3.096 2.061 1.00 0.00 C ATOM 533 CG LEU A 33 -10.007 1.999 1.997 1.00 0.00 C ATOM 534 CD1 LEU A 33 -11.271 2.550 1.341 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.462 0.831 1.177 1.00 0.00 C ATOM 0 H LEU A 33 -9.679 5.475 3.025 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.059 2.771 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.232 3.921 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.995 2.717 1.709 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.247 1.654 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.027 1.767 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.651 3.386 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.038 2.891 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.211 0.041 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.227 1.173 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.559 0.445 1.649 1.00 0.00 H new ATOM 547 N GLU A 34 -6.433 3.315 3.391 1.00 0.00 N ATOM 548 CA GLU A 34 -5.050 3.801 3.587 1.00 0.00 C ATOM 549 C GLU A 34 -4.064 2.963 2.791 1.00 0.00 C ATOM 550 O GLU A 34 -4.414 2.201 1.915 1.00 0.00 O ATOM 551 CB GLU A 34 -4.685 3.709 5.066 1.00 0.00 C ATOM 552 CG GLU A 34 -3.826 4.907 5.467 1.00 0.00 C ATOM 553 CD GLU A 34 -4.225 5.370 6.869 1.00 0.00 C ATOM 554 OE1 GLU A 34 -5.056 4.712 7.473 1.00 0.00 O ATOM 555 OE2 GLU A 34 -3.694 6.374 7.315 1.00 0.00 O ATOM 0 H GLU A 34 -6.523 2.375 3.005 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.998 4.834 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.591 3.681 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.144 2.782 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.771 4.635 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.958 5.719 4.752 1.00 0.00 H new ATOM 562 N PHE A 35 -2.827 3.102 3.134 1.00 0.00 N ATOM 563 CA PHE A 35 -1.746 2.326 2.473 1.00 0.00 C ATOM 564 C PHE A 35 -0.859 1.741 3.578 1.00 0.00 C ATOM 565 O PHE A 35 -0.119 2.467 4.214 1.00 0.00 O ATOM 566 CB PHE A 35 -0.917 3.249 1.578 1.00 0.00 C ATOM 567 CG PHE A 35 -1.701 3.573 0.330 1.00 0.00 C ATOM 568 CD1 PHE A 35 -2.737 4.514 0.378 1.00 0.00 C ATOM 569 CD2 PHE A 35 -1.395 2.931 -0.876 1.00 0.00 C ATOM 570 CE1 PHE A 35 -3.465 4.814 -0.780 1.00 0.00 C ATOM 571 CE2 PHE A 35 -2.125 3.230 -2.033 1.00 0.00 C ATOM 572 CZ PHE A 35 -3.159 4.170 -1.986 1.00 0.00 C ATOM 0 H PHE A 35 -2.505 3.737 3.864 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.165 1.533 1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.669 4.166 2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.025 2.768 1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.975 5.008 1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.596 2.205 -0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.262 5.542 -0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.889 2.734 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.722 4.400 -2.879 1.00 0.00 H new ATOM 582 N PRO A 36 -0.976 0.455 3.796 1.00 0.00 N ATOM 583 CA PRO A 36 -0.205 -0.232 4.848 1.00 0.00 C ATOM 584 C PRO A 36 1.295 0.021 4.671 1.00 0.00 C ATOM 585 O PRO A 36 1.707 1.052 4.185 1.00 0.00 O ATOM 586 CB PRO A 36 -0.539 -1.720 4.667 1.00 0.00 C ATOM 587 CG PRO A 36 -1.628 -1.827 3.567 1.00 0.00 C ATOM 588 CD PRO A 36 -1.870 -0.415 3.012 1.00 0.00 C ATOM 0 HA PRO A 36 -0.457 0.124 5.847 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.351 -2.280 4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.897 -2.148 5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.305 -2.500 2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.549 -2.239 3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.639 -0.363 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.912 -0.118 3.127 1.00 0.00 H new ATOM 596 N GLY A 37 2.112 -0.910 5.071 1.00 0.00 N ATOM 597 CA GLY A 37 3.579 -0.721 4.927 1.00 0.00 C ATOM 598 C GLY A 37 4.308 -1.505 6.014 1.00 0.00 C ATOM 599 O GLY A 37 3.776 -1.769 7.073 1.00 0.00 O ATOM 0 H GLY A 37 1.827 -1.794 5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.904 -1.058 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.828 0.338 5.000 1.00 0.00 H new ATOM 603 N GLY A 38 5.529 -1.869 5.755 1.00 0.00 N ATOM 604 CA GLY A 38 6.320 -2.628 6.763 1.00 0.00 C ATOM 605 C GLY A 38 7.675 -1.947 6.927 1.00 0.00 C ATOM 606 O GLY A 38 8.665 -2.574 7.248 1.00 0.00 O ATOM 0 H GLY A 38 6.019 -1.673 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.792 -2.656 7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.452 -3.661 6.441 1.00 0.00 H new ATOM 610 N LYS A 39 7.723 -0.664 6.697 1.00 0.00 N ATOM 611 CA LYS A 39 9.005 0.075 6.824 1.00 0.00 C ATOM 612 C LYS A 39 9.897 -0.255 5.628 1.00 0.00 C ATOM 613 O LYS A 39 9.701 -1.241 4.946 1.00 0.00 O ATOM 614 CB LYS A 39 9.711 -0.328 8.121 1.00 0.00 C ATOM 615 CG LYS A 39 9.863 0.897 9.024 1.00 0.00 C ATOM 616 CD LYS A 39 8.482 1.390 9.456 1.00 0.00 C ATOM 617 CE LYS A 39 8.636 2.565 10.426 1.00 0.00 C ATOM 618 NZ LYS A 39 9.006 3.792 9.666 1.00 0.00 N ATOM 0 H LYS A 39 6.922 -0.094 6.425 1.00 0.00 H new ATOM 0 HA LYS A 39 8.806 1.146 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.139 -1.101 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.690 -0.751 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.460 0.644 9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.393 1.688 8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.906 1.699 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.929 0.581 9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.704 2.727 10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.402 2.340 11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.011 4.610 10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.952 3.671 9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.313 3.952 8.907 1.00 0.00 H new ATOM 632 N ILE A 40 10.866 0.574 5.358 1.00 0.00 N ATOM 633 CA ILE A 40 11.761 0.324 4.196 1.00 0.00 C ATOM 634 C ILE A 40 13.104 1.015 4.437 1.00 0.00 C ATOM 635 O ILE A 40 13.531 1.853 3.667 1.00 0.00 O ATOM 636 CB ILE A 40 11.099 0.901 2.946 1.00 0.00 C ATOM 637 CG1 ILE A 40 11.948 0.607 1.707 1.00 0.00 C ATOM 638 CG2 ILE A 40 10.959 2.412 3.108 1.00 0.00 C ATOM 639 CD1 ILE A 40 11.439 1.456 0.537 1.00 0.00 C ATOM 0 H ILE A 40 11.077 1.416 5.894 1.00 0.00 H new ATOM 0 HA ILE A 40 11.929 -0.745 4.067 1.00 0.00 H new ATOM 0 HB ILE A 40 10.119 0.441 2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.996 0.832 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.892 -0.452 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.487 2.831 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.344 2.629 3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.945 2.857 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.040 1.251 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.397 1.209 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.518 2.513 0.793 1.00 0.00 H new ATOM 651 N GLU A 41 13.771 0.673 5.504 1.00 0.00 N ATOM 652 CA GLU A 41 15.083 1.311 5.800 1.00 0.00 C ATOM 653 C GLU A 41 16.191 0.575 5.031 1.00 0.00 C ATOM 654 O GLU A 41 16.107 0.404 3.832 1.00 0.00 O ATOM 655 CB GLU A 41 15.344 1.243 7.307 1.00 0.00 C ATOM 656 CG GLU A 41 14.294 2.077 8.044 1.00 0.00 C ATOM 657 CD GLU A 41 14.977 3.255 8.742 1.00 0.00 C ATOM 658 OE1 GLU A 41 16.112 3.543 8.402 1.00 0.00 O ATOM 659 OE2 GLU A 41 14.352 3.849 9.605 1.00 0.00 O ATOM 0 H GLU A 41 13.463 -0.022 6.184 1.00 0.00 H new ATOM 0 HA GLU A 41 15.072 2.355 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.306 0.208 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.343 1.616 7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.545 2.442 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.772 1.460 8.775 1.00 0.00 H new ATOM 666 N MET A 42 17.230 0.142 5.700 1.00 0.00 N ATOM 667 CA MET A 42 18.324 -0.573 4.986 1.00 0.00 C ATOM 668 C MET A 42 17.724 -1.593 4.016 1.00 0.00 C ATOM 669 O MET A 42 16.566 -1.948 4.110 1.00 0.00 O ATOM 670 CB MET A 42 19.212 -1.293 6.003 1.00 0.00 C ATOM 671 CG MET A 42 19.648 -0.305 7.089 1.00 0.00 C ATOM 672 SD MET A 42 21.310 -0.738 7.659 1.00 0.00 S ATOM 673 CE MET A 42 22.206 0.548 6.752 1.00 0.00 C ATOM 0 H MET A 42 17.365 0.253 6.705 1.00 0.00 H new ATOM 0 HA MET A 42 18.922 0.147 4.427 1.00 0.00 H new ATOM 0 HB2 MET A 42 18.669 -2.126 6.450 1.00 0.00 H new ATOM 0 HB3 MET A 42 20.086 -1.713 5.506 1.00 0.00 H new ATOM 0 HG2 MET A 42 19.639 0.712 6.696 1.00 0.00 H new ATOM 0 HG3 MET A 42 18.947 -0.331 7.923 1.00 0.00 H new ATOM 0 HE1 MET A 42 23.272 0.465 6.962 1.00 0.00 H new ATOM 0 HE2 MET A 42 22.036 0.425 5.682 1.00 0.00 H new ATOM 0 HE3 MET A 42 21.850 1.529 7.065 1.00 0.00 H new ATOM 683 N GLY A 43 18.504 -2.063 3.080 1.00 0.00 N ATOM 684 CA GLY A 43 17.980 -3.056 2.100 1.00 0.00 C ATOM 685 C GLY A 43 18.726 -2.907 0.773 1.00 0.00 C ATOM 686 O GLY A 43 19.941 -2.862 0.733 1.00 0.00 O ATOM 0 H GLY A 43 19.482 -1.802 2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.105 -4.067 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.912 -2.903 1.948 1.00 0.00 H new ATOM 690 N GLU A 44 18.012 -2.833 -0.316 1.00 0.00 N ATOM 691 CA GLU A 44 18.684 -2.688 -1.637 1.00 0.00 C ATOM 692 C GLU A 44 18.012 -1.568 -2.433 1.00 0.00 C ATOM 693 O GLU A 44 18.615 -0.556 -2.729 1.00 0.00 O ATOM 694 CB GLU A 44 18.568 -4.001 -2.412 1.00 0.00 C ATOM 695 CG GLU A 44 19.732 -4.919 -2.037 1.00 0.00 C ATOM 696 CD GLU A 44 19.194 -6.159 -1.322 1.00 0.00 C ATOM 697 OE1 GLU A 44 18.608 -6.002 -0.264 1.00 0.00 O ATOM 698 OE2 GLU A 44 19.378 -7.246 -1.845 1.00 0.00 O ATOM 0 H GLU A 44 16.993 -2.867 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 44 19.735 -2.444 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 44 17.619 -4.487 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 44 18.576 -3.805 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.281 -5.212 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.433 -4.390 -1.392 1.00 0.00 H new ATOM 705 N THR A 45 16.767 -1.743 -2.781 1.00 0.00 N ATOM 706 CA THR A 45 16.053 -0.695 -3.556 1.00 0.00 C ATOM 707 C THR A 45 14.583 -0.683 -3.132 1.00 0.00 C ATOM 708 O THR A 45 14.190 -1.425 -2.254 1.00 0.00 O ATOM 709 CB THR A 45 16.167 -1.006 -5.048 1.00 0.00 C ATOM 710 OG1 THR A 45 16.977 -2.158 -5.228 1.00 0.00 O ATOM 711 CG2 THR A 45 16.797 0.189 -5.768 1.00 0.00 C ATOM 0 H THR A 45 16.213 -2.571 -2.560 1.00 0.00 H new ATOM 0 HA THR A 45 16.494 0.283 -3.363 1.00 0.00 H new ATOM 0 HB THR A 45 15.176 -1.195 -5.462 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.050 -2.360 -6.184 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.880 -0.030 -6.833 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.171 1.070 -5.626 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.789 0.379 -5.359 1.00 0.00 H new ATOM 719 N PRO A 46 13.813 0.166 -3.758 1.00 0.00 N ATOM 720 CA PRO A 46 12.383 0.294 -3.447 1.00 0.00 C ATOM 721 C PRO A 46 11.630 -0.970 -3.874 1.00 0.00 C ATOM 722 O PRO A 46 10.479 -1.161 -3.537 1.00 0.00 O ATOM 723 CB PRO A 46 11.916 1.509 -4.264 1.00 0.00 C ATOM 724 CG PRO A 46 13.133 2.020 -5.078 1.00 0.00 C ATOM 725 CD PRO A 46 14.300 1.068 -4.814 1.00 0.00 C ATOM 0 HA PRO A 46 12.197 0.421 -2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.099 1.232 -4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 46 11.539 2.292 -3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.897 2.050 -6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.393 3.036 -4.781 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.572 0.515 -5.713 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.189 1.611 -4.493 1.00 0.00 H new ATOM 733 N GLU A 47 12.271 -1.835 -4.611 1.00 0.00 N ATOM 734 CA GLU A 47 11.592 -3.084 -5.057 1.00 0.00 C ATOM 735 C GLU A 47 12.036 -4.247 -4.168 1.00 0.00 C ATOM 736 O GLU A 47 11.229 -4.919 -3.554 1.00 0.00 O ATOM 737 CB GLU A 47 11.980 -3.377 -6.506 1.00 0.00 C ATOM 738 CG GLU A 47 10.759 -3.205 -7.412 1.00 0.00 C ATOM 739 CD GLU A 47 11.054 -3.810 -8.785 1.00 0.00 C ATOM 740 OE1 GLU A 47 11.763 -4.801 -8.834 1.00 0.00 O ATOM 741 OE2 GLU A 47 10.565 -3.272 -9.764 1.00 0.00 O ATOM 0 H GLU A 47 13.236 -1.731 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 47 10.511 -2.961 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.777 -2.704 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.367 -4.392 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.891 -3.692 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.514 -2.148 -7.514 1.00 0.00 H new ATOM 748 N GLN A 48 13.316 -4.479 -4.088 1.00 0.00 N ATOM 749 CA GLN A 48 13.833 -5.573 -3.247 1.00 0.00 C ATOM 750 C GLN A 48 13.385 -5.344 -1.824 1.00 0.00 C ATOM 751 O GLN A 48 13.021 -6.241 -1.105 1.00 0.00 O ATOM 752 CB GLN A 48 15.352 -5.544 -3.306 1.00 0.00 C ATOM 753 CG GLN A 48 15.836 -6.951 -3.552 1.00 0.00 C ATOM 754 CD GLN A 48 17.328 -6.940 -3.895 1.00 0.00 C ATOM 755 OE1 GLN A 48 17.926 -5.891 -4.016 1.00 0.00 O ATOM 756 NE2 GLN A 48 17.955 -8.072 -4.062 1.00 0.00 N ATOM 0 H GLN A 48 14.031 -3.943 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 48 13.462 -6.536 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.690 -4.880 -4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.762 -5.158 -2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.662 -7.564 -2.667 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.270 -7.401 -4.368 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.452 -8.953 -3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.948 -8.075 -4.294 1.00 0.00 H new ATOM 765 N ALA A 49 13.425 -4.135 -1.426 1.00 0.00 N ATOM 766 CA ALA A 49 13.010 -3.796 -0.047 1.00 0.00 C ATOM 767 C ALA A 49 11.724 -4.559 0.302 1.00 0.00 C ATOM 768 O ALA A 49 11.683 -5.337 1.235 1.00 0.00 O ATOM 769 CB ALA A 49 12.758 -2.292 0.055 1.00 0.00 C ATOM 0 H ALA A 49 13.730 -3.345 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 49 13.799 -4.078 0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.452 -2.042 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.672 -1.752 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.969 -2.007 -0.642 1.00 0.00 H new ATOM 775 N VAL A 50 10.677 -4.333 -0.443 1.00 0.00 N ATOM 776 CA VAL A 50 9.384 -5.025 -0.176 1.00 0.00 C ATOM 777 C VAL A 50 9.385 -6.432 -0.775 1.00 0.00 C ATOM 778 O VAL A 50 8.516 -7.231 -0.495 1.00 0.00 O ATOM 779 CB VAL A 50 8.274 -4.224 -0.832 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.357 -4.406 -2.350 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.918 -4.714 -0.335 1.00 0.00 C ATOM 0 H VAL A 50 10.662 -3.690 -1.235 1.00 0.00 H new ATOM 0 HA VAL A 50 9.237 -5.102 0.901 1.00 0.00 H new ATOM 0 HB VAL A 50 8.387 -3.170 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.563 -3.834 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.325 -4.053 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.243 -5.462 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.126 -4.135 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.798 -5.768 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.860 -4.590 0.746 1.00 0.00 H new ATOM 791 N VAL A 51 10.346 -6.745 -1.594 1.00 0.00 N ATOM 792 CA VAL A 51 10.382 -8.103 -2.198 1.00 0.00 C ATOM 793 C VAL A 51 10.628 -9.059 -1.052 1.00 0.00 C ATOM 794 O VAL A 51 9.925 -10.025 -0.829 1.00 0.00 O ATOM 795 CB VAL A 51 11.509 -8.152 -3.246 1.00 0.00 C ATOM 796 CG1 VAL A 51 12.808 -8.720 -2.668 1.00 0.00 C ATOM 797 CG2 VAL A 51 11.067 -9.033 -4.391 1.00 0.00 C ATOM 0 H VAL A 51 11.105 -6.123 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 51 9.458 -8.368 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 51 11.704 -7.132 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.575 -8.736 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.142 -8.095 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.634 -9.734 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.856 -9.077 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.863 -10.037 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.163 -8.621 -4.839 1.00 0.00 H new ATOM 807 N ARG A 52 11.619 -8.727 -0.314 1.00 0.00 N ATOM 808 CA ARG A 52 11.993 -9.481 0.885 1.00 0.00 C ATOM 809 C ARG A 52 10.804 -9.473 1.847 1.00 0.00 C ATOM 810 O ARG A 52 10.540 -10.442 2.532 1.00 0.00 O ATOM 811 CB ARG A 52 13.169 -8.751 1.518 1.00 0.00 C ATOM 812 CG ARG A 52 14.382 -9.672 1.550 1.00 0.00 C ATOM 813 CD ARG A 52 14.181 -10.752 2.615 1.00 0.00 C ATOM 814 NE ARG A 52 15.123 -11.878 2.361 1.00 0.00 N ATOM 815 CZ ARG A 52 15.347 -12.763 3.292 1.00 0.00 C ATOM 816 NH1 ARG A 52 14.351 -13.424 3.816 1.00 0.00 N ATOM 817 NH2 ARG A 52 16.566 -12.989 3.699 1.00 0.00 N ATOM 0 H ARG A 52 12.217 -7.922 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 52 12.261 -10.511 0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.399 -7.849 0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.913 -8.435 2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.526 -10.133 0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.282 -9.097 1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.353 -10.336 3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.152 -11.112 2.594 1.00 0.00 H new ATOM 0 HE ARG A 52 15.593 -11.957 1.459 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.398 -13.248 3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.525 -14.116 4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.345 -12.473 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.740 -13.681 4.427 1.00 0.00 H new ATOM 831 N GLU A 53 10.072 -8.384 1.894 1.00 0.00 N ATOM 832 CA GLU A 53 8.894 -8.326 2.802 1.00 0.00 C ATOM 833 C GLU A 53 7.785 -9.199 2.216 1.00 0.00 C ATOM 834 O GLU A 53 6.888 -9.639 2.908 1.00 0.00 O ATOM 835 CB GLU A 53 8.401 -6.883 2.918 1.00 0.00 C ATOM 836 CG GLU A 53 9.427 -6.053 3.693 1.00 0.00 C ATOM 837 CD GLU A 53 8.731 -4.858 4.345 1.00 0.00 C ATOM 838 OE1 GLU A 53 7.917 -4.236 3.682 1.00 0.00 O ATOM 839 OE2 GLU A 53 9.023 -4.585 5.498 1.00 0.00 O ATOM 0 H GLU A 53 10.242 -7.541 1.345 1.00 0.00 H new ATOM 0 HA GLU A 53 9.171 -8.686 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.249 -6.459 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.437 -6.857 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.907 -6.668 4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.213 -5.707 3.021 1.00 0.00 H new ATOM 846 N LEU A 54 7.851 -9.456 0.940 1.00 0.00 N ATOM 847 CA LEU A 54 6.817 -10.305 0.290 1.00 0.00 C ATOM 848 C LEU A 54 6.834 -11.692 0.934 1.00 0.00 C ATOM 849 O LEU A 54 5.833 -12.173 1.426 1.00 0.00 O ATOM 850 CB LEU A 54 7.127 -10.437 -1.205 1.00 0.00 C ATOM 851 CG LEU A 54 5.867 -10.146 -2.024 1.00 0.00 C ATOM 852 CD1 LEU A 54 6.122 -10.473 -3.495 1.00 0.00 C ATOM 853 CD2 LEU A 54 4.713 -11.007 -1.509 1.00 0.00 C ATOM 0 H LEU A 54 8.581 -9.112 0.317 1.00 0.00 H new ATOM 0 HA LEU A 54 5.835 -9.849 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.921 -9.744 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.490 -11.441 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 54 5.610 -9.091 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.223 -10.265 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.944 -9.861 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.381 -11.527 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.816 -10.800 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.974 -12.061 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.526 -10.775 -0.461 1.00 0.00 H new ATOM 865 N GLN A 55 7.969 -12.338 0.934 1.00 0.00 N ATOM 866 CA GLN A 55 8.054 -13.694 1.544 1.00 0.00 C ATOM 867 C GLN A 55 8.192 -13.570 3.060 1.00 0.00 C ATOM 868 O GLN A 55 7.881 -14.486 3.797 1.00 0.00 O ATOM 869 CB GLN A 55 9.269 -14.436 0.983 1.00 0.00 C ATOM 870 CG GLN A 55 9.455 -14.074 -0.491 1.00 0.00 C ATOM 871 CD GLN A 55 10.325 -15.135 -1.167 1.00 0.00 C ATOM 872 OE1 GLN A 55 10.163 -16.314 -0.926 1.00 0.00 O ATOM 873 NE2 GLN A 55 11.249 -14.762 -2.009 1.00 0.00 N ATOM 0 H GLN A 55 8.840 -11.985 0.538 1.00 0.00 H new ATOM 0 HA GLN A 55 7.147 -14.250 1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.162 -14.171 1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.132 -15.512 1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.486 -14.012 -0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.922 -13.093 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.385 -13.772 -2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.836 -15.461 -2.465 1.00 0.00 H new ATOM 882 N GLU A 56 8.658 -12.449 3.538 1.00 0.00 N ATOM 883 CA GLU A 56 8.821 -12.275 5.010 1.00 0.00 C ATOM 884 C GLU A 56 7.479 -11.916 5.659 1.00 0.00 C ATOM 885 O GLU A 56 7.436 -11.428 6.771 1.00 0.00 O ATOM 886 CB GLU A 56 9.826 -11.155 5.279 1.00 0.00 C ATOM 887 CG GLU A 56 11.246 -11.675 5.043 1.00 0.00 C ATOM 888 CD GLU A 56 12.096 -11.429 6.291 1.00 0.00 C ATOM 889 OE1 GLU A 56 11.792 -10.498 7.019 1.00 0.00 O ATOM 890 OE2 GLU A 56 13.037 -12.177 6.498 1.00 0.00 O ATOM 0 H GLU A 56 8.933 -11.646 2.973 1.00 0.00 H new ATOM 0 HA GLU A 56 9.181 -13.211 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.625 -10.307 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.724 -10.799 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.221 -12.740 4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.690 -11.173 4.183 1.00 0.00 H new ATOM 897 N GLU A 57 6.385 -12.144 4.985 1.00 0.00 N ATOM 898 CA GLU A 57 5.065 -11.802 5.585 1.00 0.00 C ATOM 899 C GLU A 57 4.059 -12.922 5.304 1.00 0.00 C ATOM 900 O GLU A 57 3.535 -13.538 6.210 1.00 0.00 O ATOM 901 CB GLU A 57 4.554 -10.497 4.975 1.00 0.00 C ATOM 902 CG GLU A 57 4.679 -9.368 5.996 1.00 0.00 C ATOM 903 CD GLU A 57 3.511 -9.438 6.982 1.00 0.00 C ATOM 904 OE1 GLU A 57 3.178 -10.537 7.398 1.00 0.00 O ATOM 905 OE2 GLU A 57 2.969 -8.394 7.304 1.00 0.00 O ATOM 0 H GLU A 57 6.348 -12.550 4.050 1.00 0.00 H new ATOM 0 HA GLU A 57 5.180 -11.685 6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.125 -10.255 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.514 -10.610 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.625 -9.450 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.683 -8.403 5.488 1.00 0.00 H new ATOM 912 N VAL A 58 3.779 -13.185 4.057 1.00 0.00 N ATOM 913 CA VAL A 58 2.796 -14.257 3.727 1.00 0.00 C ATOM 914 C VAL A 58 3.408 -15.223 2.708 1.00 0.00 C ATOM 915 O VAL A 58 3.138 -16.408 2.721 1.00 0.00 O ATOM 916 CB VAL A 58 1.542 -13.622 3.124 1.00 0.00 C ATOM 917 CG1 VAL A 58 1.083 -12.446 3.984 1.00 0.00 C ATOM 918 CG2 VAL A 58 1.861 -13.128 1.716 1.00 0.00 C ATOM 0 H VAL A 58 4.187 -12.706 3.254 1.00 0.00 H new ATOM 0 HA VAL A 58 2.537 -14.802 4.635 1.00 0.00 H new ATOM 0 HB VAL A 58 0.745 -14.364 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.190 -12.001 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.857 -12.798 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.875 -11.698 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.971 -12.674 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.660 -12.388 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.179 -13.968 1.099 1.00 0.00 H new ATOM 928 N GLY A 59 4.225 -14.725 1.820 1.00 0.00 N ATOM 929 CA GLY A 59 4.845 -15.607 0.800 1.00 0.00 C ATOM 930 C GLY A 59 3.966 -15.656 -0.452 1.00 0.00 C ATOM 931 O GLY A 59 3.857 -16.678 -1.101 1.00 0.00 O ATOM 0 H GLY A 59 4.488 -13.741 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.838 -15.238 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.973 -16.611 1.204 1.00 0.00 H new ATOM 935 N ILE A 60 3.342 -14.562 -0.806 1.00 0.00 N ATOM 936 CA ILE A 60 2.482 -14.568 -2.024 1.00 0.00 C ATOM 937 C ILE A 60 3.306 -14.122 -3.234 1.00 0.00 C ATOM 938 O ILE A 60 4.517 -14.079 -3.186 1.00 0.00 O ATOM 939 CB ILE A 60 1.290 -13.620 -1.844 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.787 -12.238 -1.424 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.341 -14.173 -0.783 1.00 0.00 C ATOM 942 CD1 ILE A 60 0.684 -11.213 -1.671 1.00 0.00 C ATOM 0 H ILE A 60 3.391 -13.673 -0.309 1.00 0.00 H new ATOM 0 HA ILE A 60 2.108 -15.579 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 60 0.756 -13.536 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.066 -12.243 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.680 -11.972 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.503 -13.494 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.023 -15.152 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.871 -14.268 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.033 -10.224 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.427 -11.203 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.197 -11.478 -1.086 1.00 0.00 H new ATOM 954 N THR A 61 2.631 -13.811 -4.317 1.00 0.00 N ATOM 955 CA THR A 61 3.303 -13.376 -5.574 1.00 0.00 C ATOM 956 C THR A 61 3.570 -14.562 -6.540 1.00 0.00 C ATOM 957 O THR A 61 4.331 -14.388 -7.473 1.00 0.00 O ATOM 958 CB THR A 61 4.628 -12.663 -5.245 1.00 0.00 C ATOM 959 OG1 THR A 61 4.832 -11.603 -6.167 1.00 0.00 O ATOM 960 CG2 THR A 61 5.805 -13.646 -5.332 1.00 0.00 C ATOM 0 H THR A 61 1.613 -13.843 -4.378 1.00 0.00 H new ATOM 0 HA THR A 61 2.627 -12.687 -6.080 1.00 0.00 H new ATOM 0 HB THR A 61 4.573 -12.270 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.767 -11.312 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.733 -13.125 -5.096 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.654 -14.458 -4.620 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.864 -14.054 -6.341 1.00 0.00 H new ATOM 968 N PRO A 62 2.974 -15.729 -6.335 1.00 0.00 N ATOM 969 CA PRO A 62 3.226 -16.852 -7.243 1.00 0.00 C ATOM 970 C PRO A 62 2.729 -16.526 -8.637 1.00 0.00 C ATOM 971 O PRO A 62 3.178 -17.080 -9.622 1.00 0.00 O ATOM 972 CB PRO A 62 2.462 -18.039 -6.660 1.00 0.00 C ATOM 973 CG PRO A 62 1.632 -17.505 -5.475 1.00 0.00 C ATOM 974 CD PRO A 62 2.046 -16.046 -5.233 1.00 0.00 C ATOM 0 HA PRO A 62 4.291 -17.069 -7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.814 -18.488 -7.413 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.151 -18.816 -6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.566 -17.568 -5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.809 -18.106 -4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.181 -15.383 -5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.529 -15.928 -4.263 1.00 0.00 H new ATOM 982 N GLN A 63 1.818 -15.624 -8.729 1.00 0.00 N ATOM 983 CA GLN A 63 1.297 -15.243 -10.055 1.00 0.00 C ATOM 984 C GLN A 63 2.199 -14.155 -10.625 1.00 0.00 C ATOM 985 O GLN A 63 2.925 -14.379 -11.573 1.00 0.00 O ATOM 986 CB GLN A 63 -0.131 -14.726 -9.902 1.00 0.00 C ATOM 987 CG GLN A 63 -0.910 -15.688 -9.001 1.00 0.00 C ATOM 988 CD GLN A 63 -1.348 -16.904 -9.818 1.00 0.00 C ATOM 989 OE1 GLN A 63 -0.597 -17.845 -9.979 1.00 0.00 O ATOM 990 NE2 GLN A 63 -2.540 -16.923 -10.350 1.00 0.00 N ATOM 0 H GLN A 63 1.406 -15.128 -7.939 1.00 0.00 H new ATOM 0 HA GLN A 63 1.287 -16.099 -10.729 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.126 -13.725 -9.470 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.611 -14.650 -10.877 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.288 -16.003 -8.163 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.781 -15.185 -8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.171 -16.133 -10.215 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.840 -17.728 -10.900 1.00 0.00 H new ATOM 999 N HIS A 64 2.168 -12.988 -10.037 1.00 0.00 N ATOM 1000 CA HIS A 64 3.026 -11.867 -10.529 1.00 0.00 C ATOM 1001 C HIS A 64 2.594 -10.538 -9.892 1.00 0.00 C ATOM 1002 O HIS A 64 1.465 -10.379 -9.471 1.00 0.00 O ATOM 1003 CB HIS A 64 2.844 -11.731 -12.037 1.00 0.00 C ATOM 1004 CG HIS A 64 4.118 -11.238 -12.666 1.00 0.00 C ATOM 1005 ND1 HIS A 64 4.242 -11.059 -14.036 1.00 0.00 N ATOM 1006 CD2 HIS A 64 5.332 -10.886 -12.131 1.00 0.00 C ATOM 1007 CE1 HIS A 64 5.491 -10.619 -14.275 1.00 0.00 C ATOM 1008 NE2 HIS A 64 6.198 -10.496 -13.148 1.00 0.00 N ATOM 0 H HIS A 64 1.583 -12.761 -9.233 1.00 0.00 H new ATOM 0 HA HIS A 64 4.062 -12.085 -10.269 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.565 -12.693 -12.466 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.030 -11.038 -12.253 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.578 -10.908 -11.080 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.875 -10.393 -15.259 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.164 -10.184 -13.053 1.00 0.00 H new ATOM 1016 N PHE A 65 3.475 -9.567 -9.864 1.00 0.00 N ATOM 1017 CA PHE A 65 3.108 -8.230 -9.310 1.00 0.00 C ATOM 1018 C PHE A 65 3.768 -7.146 -10.147 1.00 0.00 C ATOM 1019 O PHE A 65 4.598 -7.410 -10.996 1.00 0.00 O ATOM 1020 CB PHE A 65 3.581 -8.069 -7.872 1.00 0.00 C ATOM 1021 CG PHE A 65 5.077 -8.256 -7.800 1.00 0.00 C ATOM 1022 CD1 PHE A 65 5.632 -9.540 -7.818 1.00 0.00 C ATOM 1023 CD2 PHE A 65 5.910 -7.135 -7.714 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.022 -9.703 -7.751 1.00 0.00 C ATOM 1025 CE2 PHE A 65 7.299 -7.296 -7.647 1.00 0.00 C ATOM 1026 CZ PHE A 65 7.854 -8.580 -7.665 1.00 0.00 C ATOM 0 H PHE A 65 4.434 -9.645 -10.202 1.00 0.00 H new ATOM 0 HA PHE A 65 2.022 -8.146 -9.335 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.311 -7.081 -7.499 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.083 -8.798 -7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.989 -10.405 -7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.481 -6.144 -7.699 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.451 -10.694 -7.766 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.941 -6.430 -7.582 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.925 -8.705 -7.613 1.00 0.00 H new ATOM 1036 N SER A 66 3.408 -5.926 -9.904 1.00 0.00 N ATOM 1037 CA SER A 66 4.019 -4.805 -10.678 1.00 0.00 C ATOM 1038 C SER A 66 3.760 -3.476 -9.968 1.00 0.00 C ATOM 1039 O SER A 66 2.639 -3.148 -9.646 1.00 0.00 O ATOM 1040 CB SER A 66 3.410 -4.760 -12.078 1.00 0.00 C ATOM 1041 OG SER A 66 3.789 -5.931 -12.790 1.00 0.00 O ATOM 0 H SER A 66 2.719 -5.649 -9.205 1.00 0.00 H new ATOM 0 HA SER A 66 5.094 -4.968 -10.751 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.324 -4.695 -12.013 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.752 -3.871 -12.608 1.00 0.00 H new ATOM 0 HG SER A 66 4.566 -6.341 -12.356 1.00 0.00 H new ATOM 1047 N LEU A 67 4.772 -2.690 -9.739 1.00 0.00 N ATOM 1048 CA LEU A 67 4.530 -1.384 -9.067 1.00 0.00 C ATOM 1049 C LEU A 67 4.017 -0.383 -10.101 1.00 0.00 C ATOM 1050 O LEU A 67 4.634 -0.154 -11.121 1.00 0.00 O ATOM 1051 CB LEU A 67 5.821 -0.856 -8.434 1.00 0.00 C ATOM 1052 CG LEU A 67 5.598 0.581 -7.945 1.00 0.00 C ATOM 1053 CD1 LEU A 67 5.511 0.606 -6.416 1.00 0.00 C ATOM 1054 CD2 LEU A 67 6.765 1.458 -8.403 1.00 0.00 C ATOM 0 H LEU A 67 5.742 -2.890 -9.983 1.00 0.00 H new ATOM 0 HA LEU A 67 3.791 -1.519 -8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.118 -1.493 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.633 -0.883 -9.161 1.00 0.00 H new ATOM 0 HG LEU A 67 4.665 0.961 -8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.353 1.630 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.679 -0.017 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.440 0.223 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.610 2.480 -8.057 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.696 1.072 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.822 1.448 -9.491 1.00 0.00 H new ATOM 1066 N PHE A 68 2.886 0.209 -9.841 1.00 0.00 N ATOM 1067 CA PHE A 68 2.316 1.185 -10.790 1.00 0.00 C ATOM 1068 C PHE A 68 3.117 2.480 -10.738 1.00 0.00 C ATOM 1069 O PHE A 68 3.567 2.990 -11.744 1.00 0.00 O ATOM 1070 CB PHE A 68 0.868 1.443 -10.388 1.00 0.00 C ATOM 1071 CG PHE A 68 0.785 2.321 -9.167 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.868 1.751 -7.893 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.628 3.704 -9.309 1.00 0.00 C ATOM 1074 CE1 PHE A 68 0.796 2.565 -6.758 1.00 0.00 C ATOM 1075 CE2 PHE A 68 0.556 4.517 -8.174 1.00 0.00 C ATOM 1076 CZ PHE A 68 0.639 3.947 -6.900 1.00 0.00 C ATOM 0 H PHE A 68 2.331 0.052 -9.000 1.00 0.00 H new ATOM 0 HA PHE A 68 2.357 0.798 -11.808 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.338 1.916 -11.215 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.369 0.494 -10.190 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.988 0.683 -7.785 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.563 4.143 -10.294 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.862 2.127 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.436 5.585 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.582 4.576 -6.024 1.00 0.00 H new ATOM 1086 N GLU A 69 3.296 3.009 -9.569 1.00 0.00 N ATOM 1087 CA GLU A 69 4.066 4.279 -9.431 1.00 0.00 C ATOM 1088 C GLU A 69 4.063 4.731 -7.969 1.00 0.00 C ATOM 1089 O GLU A 69 3.062 4.659 -7.289 1.00 0.00 O ATOM 1090 CB GLU A 69 3.416 5.363 -10.295 1.00 0.00 C ATOM 1091 CG GLU A 69 4.475 6.376 -10.737 1.00 0.00 C ATOM 1092 CD GLU A 69 3.839 7.762 -10.858 1.00 0.00 C ATOM 1093 OE1 GLU A 69 3.510 8.333 -9.831 1.00 0.00 O ATOM 1094 OE2 GLU A 69 3.694 8.230 -11.975 1.00 0.00 O ATOM 0 H GLU A 69 2.943 2.619 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 69 5.093 4.113 -9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.944 4.911 -11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.630 5.867 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.292 6.401 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.903 6.076 -11.694 1.00 0.00 H new ATOM 1101 N LYS A 70 5.177 5.204 -7.480 1.00 0.00 N ATOM 1102 CA LYS A 70 5.235 5.666 -6.074 1.00 0.00 C ATOM 1103 C LYS A 70 5.284 7.192 -6.053 1.00 0.00 C ATOM 1104 O LYS A 70 5.534 7.829 -7.056 1.00 0.00 O ATOM 1105 CB LYS A 70 6.492 5.117 -5.400 1.00 0.00 C ATOM 1106 CG LYS A 70 7.597 4.894 -6.436 1.00 0.00 C ATOM 1107 CD LYS A 70 8.963 4.924 -5.743 1.00 0.00 C ATOM 1108 CE LYS A 70 9.914 3.948 -6.440 1.00 0.00 C ATOM 1109 NZ LYS A 70 11.281 4.541 -6.497 1.00 0.00 N ATOM 0 H LYS A 70 6.050 5.289 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 70 4.354 5.311 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.836 5.813 -4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.262 4.178 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.453 3.937 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.550 5.666 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.375 5.933 -5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.855 4.655 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.939 3.001 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.557 3.733 -7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.927 3.878 -6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.250 5.434 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.620 4.725 -5.531 1.00 0.00 H new ATOM 1123 N LEU A 71 5.050 7.782 -4.917 1.00 0.00 N ATOM 1124 CA LEU A 71 5.087 9.268 -4.835 1.00 0.00 C ATOM 1125 C LEU A 71 5.981 9.691 -3.672 1.00 0.00 C ATOM 1126 O LEU A 71 6.671 8.886 -3.079 1.00 0.00 O ATOM 1127 CB LEU A 71 3.675 9.797 -4.603 1.00 0.00 C ATOM 1128 CG LEU A 71 2.925 8.848 -3.667 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.682 8.719 -2.344 1.00 0.00 C ATOM 1130 CD2 LEU A 71 1.529 9.403 -3.394 1.00 0.00 C ATOM 0 H LEU A 71 4.835 7.302 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 71 5.483 9.674 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.716 10.796 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.146 9.883 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 71 2.848 7.868 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.143 8.042 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.680 8.324 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.763 9.699 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.993 8.728 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.613 10.384 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.983 9.494 -4.333 1.00 0.00 H new ATOM 1142 N GLU A 72 5.966 10.950 -3.337 1.00 0.00 N ATOM 1143 CA GLU A 72 6.806 11.426 -2.206 1.00 0.00 C ATOM 1144 C GLU A 72 6.075 12.548 -1.476 1.00 0.00 C ATOM 1145 O GLU A 72 5.349 13.322 -2.067 1.00 0.00 O ATOM 1146 CB GLU A 72 8.140 11.951 -2.733 1.00 0.00 C ATOM 1147 CG GLU A 72 8.991 12.449 -1.564 1.00 0.00 C ATOM 1148 CD GLU A 72 10.033 13.446 -2.077 1.00 0.00 C ATOM 1149 OE1 GLU A 72 9.651 14.356 -2.794 1.00 0.00 O ATOM 1150 OE2 GLU A 72 11.196 13.283 -1.744 1.00 0.00 O ATOM 0 H GLU A 72 5.408 11.669 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 72 6.992 10.598 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.667 11.162 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.969 12.760 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.357 12.923 -0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.486 11.609 -1.077 1.00 0.00 H new ATOM 1157 N TYR A 73 6.256 12.635 -0.194 1.00 0.00 N ATOM 1158 CA TYR A 73 5.570 13.693 0.584 1.00 0.00 C ATOM 1159 C TYR A 73 6.486 14.167 1.712 1.00 0.00 C ATOM 1160 O TYR A 73 6.341 13.768 2.851 1.00 0.00 O ATOM 1161 CB TYR A 73 4.289 13.117 1.173 1.00 0.00 C ATOM 1162 CG TYR A 73 3.102 13.904 0.670 1.00 0.00 C ATOM 1163 CD1 TYR A 73 2.747 15.108 1.287 1.00 0.00 C ATOM 1164 CD2 TYR A 73 2.359 13.428 -0.418 1.00 0.00 C ATOM 1165 CE1 TYR A 73 1.648 15.837 0.815 1.00 0.00 C ATOM 1166 CE2 TYR A 73 1.261 14.156 -0.889 1.00 0.00 C ATOM 1167 CZ TYR A 73 0.905 15.361 -0.272 1.00 0.00 C ATOM 1168 OH TYR A 73 -0.176 16.081 -0.738 1.00 0.00 O ATOM 0 H TYR A 73 6.854 12.014 0.352 1.00 0.00 H new ATOM 0 HA TYR A 73 5.331 14.537 -0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.188 12.068 0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.328 13.155 2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.319 15.475 2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.634 12.498 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.373 16.767 1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.689 13.789 -1.728 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.580 15.611 -1.497 1.00 0.00 H new ATOM 1178 N GLU A 74 7.427 15.014 1.405 1.00 0.00 N ATOM 1179 CA GLU A 74 8.353 15.516 2.457 1.00 0.00 C ATOM 1180 C GLU A 74 7.681 16.653 3.221 1.00 0.00 C ATOM 1181 O GLU A 74 7.415 17.710 2.684 1.00 0.00 O ATOM 1182 CB GLU A 74 9.640 16.022 1.797 1.00 0.00 C ATOM 1183 CG GLU A 74 10.437 16.866 2.794 1.00 0.00 C ATOM 1184 CD GLU A 74 10.477 18.319 2.314 1.00 0.00 C ATOM 1185 OE1 GLU A 74 9.522 18.739 1.683 1.00 0.00 O ATOM 1186 OE2 GLU A 74 11.462 18.985 2.584 1.00 0.00 O ATOM 0 H GLU A 74 7.595 15.381 0.468 1.00 0.00 H new ATOM 0 HA GLU A 74 8.596 14.711 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.242 15.179 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.398 16.616 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.979 16.810 3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.450 16.475 2.890 1.00 0.00 H new ATOM 1193 N PHE A 75 7.414 16.442 4.478 1.00 0.00 N ATOM 1194 CA PHE A 75 6.771 17.502 5.293 1.00 0.00 C ATOM 1195 C PHE A 75 7.843 18.510 5.703 1.00 0.00 C ATOM 1196 O PHE A 75 9.008 18.314 5.416 1.00 0.00 O ATOM 1197 CB PHE A 75 6.162 16.869 6.547 1.00 0.00 C ATOM 1198 CG PHE A 75 4.654 16.976 6.499 1.00 0.00 C ATOM 1199 CD1 PHE A 75 3.983 16.931 5.269 1.00 0.00 C ATOM 1200 CD2 PHE A 75 3.925 17.117 7.687 1.00 0.00 C ATOM 1201 CE1 PHE A 75 2.586 17.028 5.229 1.00 0.00 C ATOM 1202 CE2 PHE A 75 2.529 17.214 7.646 1.00 0.00 C ATOM 1203 CZ PHE A 75 1.860 17.169 6.417 1.00 0.00 C ATOM 0 H PHE A 75 7.615 15.575 4.977 1.00 0.00 H new ATOM 0 HA PHE A 75 5.987 17.999 4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.459 15.822 6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.542 17.368 7.438 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.543 16.822 4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.440 17.151 8.635 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.069 16.994 4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.968 17.324 8.562 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.783 17.243 6.386 1.00 0.00 H new ATOM 1213 N PRO A 76 7.430 19.552 6.375 1.00 0.00 N ATOM 1214 CA PRO A 76 8.364 20.587 6.847 1.00 0.00 C ATOM 1215 C PRO A 76 9.346 19.978 7.851 1.00 0.00 C ATOM 1216 O PRO A 76 10.300 20.607 8.266 1.00 0.00 O ATOM 1217 CB PRO A 76 7.474 21.636 7.528 1.00 0.00 C ATOM 1218 CG PRO A 76 6.013 21.123 7.472 1.00 0.00 C ATOM 1219 CD PRO A 76 6.014 19.786 6.711 1.00 0.00 C ATOM 0 HA PRO A 76 8.957 21.019 6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.786 21.790 8.561 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.561 22.598 7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.616 20.990 8.478 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.372 21.848 6.970 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.614 18.980 7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.397 19.840 5.814 1.00 0.00 H new ATOM 1227 N ASP A 77 9.108 18.760 8.253 1.00 0.00 N ATOM 1228 CA ASP A 77 10.006 18.108 9.234 1.00 0.00 C ATOM 1229 C ASP A 77 10.937 17.114 8.543 1.00 0.00 C ATOM 1230 O ASP A 77 12.140 17.288 8.519 1.00 0.00 O ATOM 1231 CB ASP A 77 9.167 17.373 10.280 1.00 0.00 C ATOM 1232 CG ASP A 77 9.949 17.285 11.593 1.00 0.00 C ATOM 1233 OD1 ASP A 77 11.074 16.814 11.558 1.00 0.00 O ATOM 1234 OD2 ASP A 77 9.411 17.691 12.609 1.00 0.00 O ATOM 0 H ASP A 77 8.324 18.189 7.939 1.00 0.00 H new ATOM 0 HA ASP A 77 10.612 18.877 9.713 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.225 17.898 10.440 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.918 16.373 9.925 1.00 0.00 H new ATOM 1239 N ARG A 78 10.400 16.056 8.016 1.00 0.00 N ATOM 1240 CA ARG A 78 11.250 15.030 7.373 1.00 0.00 C ATOM 1241 C ARG A 78 10.733 14.701 5.971 1.00 0.00 C ATOM 1242 O ARG A 78 9.841 15.343 5.453 1.00 0.00 O ATOM 1243 CB ARG A 78 11.206 13.769 8.232 1.00 0.00 C ATOM 1244 CG ARG A 78 9.909 13.716 9.049 1.00 0.00 C ATOM 1245 CD ARG A 78 9.923 12.482 9.956 1.00 0.00 C ATOM 1246 NE ARG A 78 9.774 12.909 11.377 1.00 0.00 N ATOM 1247 CZ ARG A 78 9.458 12.036 12.297 1.00 0.00 C ATOM 1248 NH1 ARG A 78 9.391 10.765 12.001 1.00 0.00 N ATOM 1249 NH2 ARG A 78 9.211 12.434 13.514 1.00 0.00 N ATOM 0 H ARG A 78 9.399 15.858 8.004 1.00 0.00 H new ATOM 0 HA ARG A 78 12.269 15.406 7.285 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.278 12.887 7.596 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.065 13.749 8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.808 14.620 9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.048 13.679 8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.113 11.806 9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.855 11.932 9.826 1.00 0.00 H new ATOM 0 HE ARG A 78 9.919 13.886 11.632 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.586 10.452 11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.144 10.086 12.721 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.264 13.426 13.747 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.964 11.754 14.233 1.00 0.00 H new ATOM 1263 N HIS A 79 11.293 13.689 5.360 1.00 0.00 N ATOM 1264 CA HIS A 79 10.850 13.289 3.995 1.00 0.00 C ATOM 1265 C HIS A 79 10.016 12.008 4.094 1.00 0.00 C ATOM 1266 O HIS A 79 10.534 10.913 3.991 1.00 0.00 O ATOM 1267 CB HIS A 79 12.074 13.024 3.115 1.00 0.00 C ATOM 1268 CG HIS A 79 13.194 13.946 3.511 1.00 0.00 C ATOM 1269 ND1 HIS A 79 14.525 13.616 3.316 1.00 0.00 N ATOM 1270 CD2 HIS A 79 13.198 15.191 4.093 1.00 0.00 C ATOM 1271 CE1 HIS A 79 15.268 14.640 3.772 1.00 0.00 C ATOM 1272 NE2 HIS A 79 14.509 15.627 4.256 1.00 0.00 N ATOM 0 H HIS A 79 12.043 13.120 5.753 1.00 0.00 H new ATOM 0 HA HIS A 79 10.253 14.089 3.557 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.391 11.986 3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.819 13.176 2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.317 15.746 4.380 1.00 0.00 H new ATOM 0 HE1 HIS A 79 16.348 14.662 3.750 1.00 0.00 H new ATOM 0 HE2 HIS A 79 14.823 16.510 4.658 1.00 0.00 H new ATOM 1280 N ILE A 80 8.732 12.131 4.295 1.00 0.00 N ATOM 1281 CA ILE A 80 7.879 10.912 4.401 1.00 0.00 C ATOM 1282 C ILE A 80 7.537 10.405 2.998 1.00 0.00 C ATOM 1283 O ILE A 80 6.908 11.090 2.216 1.00 0.00 O ATOM 1284 CB ILE A 80 6.588 11.253 5.148 1.00 0.00 C ATOM 1285 CG1 ILE A 80 6.928 11.790 6.540 1.00 0.00 C ATOM 1286 CG2 ILE A 80 5.730 9.993 5.283 1.00 0.00 C ATOM 1287 CD1 ILE A 80 7.580 10.684 7.371 1.00 0.00 C ATOM 0 H ILE A 80 8.238 13.018 4.390 1.00 0.00 H new ATOM 0 HA ILE A 80 8.420 10.138 4.946 1.00 0.00 H new ATOM 0 HB ILE A 80 6.037 12.011 4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.602 12.642 6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.024 12.146 7.035 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.810 10.235 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.486 9.611 4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.282 9.235 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.822 11.068 8.362 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.890 9.845 7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.493 10.350 6.879 1.00 0.00 H new ATOM 1299 N THR A 81 7.950 9.210 2.671 1.00 0.00 N ATOM 1300 CA THR A 81 7.652 8.663 1.319 1.00 0.00 C ATOM 1301 C THR A 81 6.810 7.392 1.453 1.00 0.00 C ATOM 1302 O THR A 81 6.957 6.633 2.390 1.00 0.00 O ATOM 1303 CB THR A 81 8.964 8.332 0.608 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.052 8.587 1.483 1.00 0.00 O ATOM 1305 CG2 THR A 81 9.099 9.199 -0.645 1.00 0.00 C ATOM 0 H THR A 81 8.481 8.590 3.283 1.00 0.00 H new ATOM 0 HA THR A 81 7.098 9.403 0.741 1.00 0.00 H new ATOM 0 HB THR A 81 8.968 7.280 0.321 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.894 8.374 1.029 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.035 8.963 -1.152 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.263 9.001 -1.316 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.096 10.251 -0.361 1.00 0.00 H new ATOM 1313 N LEU A 82 5.931 7.153 0.519 1.00 0.00 N ATOM 1314 CA LEU A 82 5.081 5.930 0.585 1.00 0.00 C ATOM 1315 C LEU A 82 5.123 5.221 -0.777 1.00 0.00 C ATOM 1316 O LEU A 82 4.852 5.811 -1.804 1.00 0.00 O ATOM 1317 CB LEU A 82 3.646 6.339 0.936 1.00 0.00 C ATOM 1318 CG LEU A 82 3.092 5.411 2.018 1.00 0.00 C ATOM 1319 CD1 LEU A 82 3.350 3.953 1.629 1.00 0.00 C ATOM 1320 CD2 LEU A 82 3.784 5.712 3.349 1.00 0.00 C ATOM 0 H LEU A 82 5.764 7.753 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 82 5.450 5.248 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.628 7.371 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.017 6.292 0.047 1.00 0.00 H new ATOM 0 HG LEU A 82 2.019 5.573 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.954 3.295 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.857 3.737 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.423 3.788 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.390 5.051 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.857 5.551 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.598 6.749 3.629 1.00 0.00 H new ATOM 1332 N TRP A 83 5.505 3.968 -0.791 1.00 0.00 N ATOM 1333 CA TRP A 83 5.621 3.223 -2.073 1.00 0.00 C ATOM 1334 C TRP A 83 4.662 2.018 -2.073 1.00 0.00 C ATOM 1335 O TRP A 83 4.714 1.188 -1.196 1.00 0.00 O ATOM 1336 CB TRP A 83 7.092 2.778 -2.169 1.00 0.00 C ATOM 1337 CG TRP A 83 7.239 1.347 -2.578 1.00 0.00 C ATOM 1338 CD1 TRP A 83 7.030 0.294 -1.763 1.00 0.00 C ATOM 1339 CD2 TRP A 83 7.649 0.799 -3.863 1.00 0.00 C ATOM 1340 NE1 TRP A 83 7.265 -0.872 -2.469 1.00 0.00 N ATOM 1341 CE2 TRP A 83 7.651 -0.613 -3.770 1.00 0.00 C ATOM 1342 CE3 TRP A 83 8.009 1.382 -5.090 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 7.998 -1.417 -4.855 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 8.361 0.575 -6.185 1.00 0.00 C ATOM 1345 CH2 TRP A 83 8.355 -0.822 -6.067 1.00 0.00 C ATOM 0 H TRP A 83 5.743 3.428 0.041 1.00 0.00 H new ATOM 0 HA TRP A 83 5.348 3.836 -2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.612 3.412 -2.887 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.576 2.927 -1.204 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.728 0.351 -0.728 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.165 -1.808 -2.077 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.015 2.457 -5.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 7.991 -2.493 -4.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.638 1.033 -7.123 1.00 0.00 H new ATOM 0 HH2 TRP A 83 8.626 -1.437 -6.912 1.00 0.00 H new ATOM 1356 N PHE A 84 3.788 1.906 -3.044 1.00 0.00 N ATOM 1357 CA PHE A 84 2.864 0.745 -3.048 1.00 0.00 C ATOM 1358 C PHE A 84 2.899 0.057 -4.406 1.00 0.00 C ATOM 1359 O PHE A 84 2.316 0.516 -5.367 1.00 0.00 O ATOM 1360 CB PHE A 84 1.425 1.182 -2.746 1.00 0.00 C ATOM 1361 CG PHE A 84 1.264 2.686 -2.817 1.00 0.00 C ATOM 1362 CD1 PHE A 84 2.022 3.523 -1.991 1.00 0.00 C ATOM 1363 CD2 PHE A 84 0.333 3.239 -3.704 1.00 0.00 C ATOM 1364 CE1 PHE A 84 1.851 4.910 -2.059 1.00 0.00 C ATOM 1365 CE2 PHE A 84 0.160 4.625 -3.766 1.00 0.00 C ATOM 1366 CZ PHE A 84 0.921 5.461 -2.945 1.00 0.00 C ATOM 0 H PHE A 84 3.680 2.560 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 84 3.192 0.054 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.746 0.710 -3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.141 0.833 -1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.738 3.099 -1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.253 2.594 -4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.439 5.557 -1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.562 5.049 -4.448 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.791 6.532 -2.995 1.00 0.00 H new ATOM 1376 N TRP A 85 3.573 -1.053 -4.484 1.00 0.00 N ATOM 1377 CA TRP A 85 3.640 -1.790 -5.775 1.00 0.00 C ATOM 1378 C TRP A 85 2.379 -2.644 -5.932 1.00 0.00 C ATOM 1379 O TRP A 85 2.264 -3.718 -5.381 1.00 0.00 O ATOM 1380 CB TRP A 85 4.899 -2.672 -5.824 1.00 0.00 C ATOM 1381 CG TRP A 85 4.899 -3.695 -4.723 1.00 0.00 C ATOM 1382 CD1 TRP A 85 4.062 -3.719 -3.659 1.00 0.00 C ATOM 1383 CD2 TRP A 85 5.779 -4.848 -4.570 1.00 0.00 C ATOM 1384 NE1 TRP A 85 4.371 -4.810 -2.868 1.00 0.00 N ATOM 1385 CE2 TRP A 85 5.423 -5.536 -3.387 1.00 0.00 C ATOM 1386 CE3 TRP A 85 6.841 -5.355 -5.338 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 6.097 -6.688 -2.980 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 7.521 -6.514 -4.932 1.00 0.00 C ATOM 1389 CH2 TRP A 85 7.150 -7.179 -3.756 1.00 0.00 C ATOM 0 H TRP A 85 4.081 -1.483 -3.711 1.00 0.00 H new ATOM 0 HA TRP A 85 3.696 -1.077 -6.597 1.00 0.00 H new ATOM 0 HB2 TRP A 85 4.954 -3.175 -6.789 1.00 0.00 H new ATOM 0 HB3 TRP A 85 5.787 -2.045 -5.740 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.279 -3.002 -3.460 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.881 -5.049 -2.006 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.136 -4.850 -6.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 5.807 -7.196 -2.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 8.335 -6.896 -5.530 1.00 0.00 H new ATOM 0 HH2 TRP A 85 7.677 -8.070 -3.450 1.00 0.00 H new ATOM 1400 N LEU A 86 1.420 -2.171 -6.674 1.00 0.00 N ATOM 1401 CA LEU A 86 0.171 -2.959 -6.838 1.00 0.00 C ATOM 1402 C LEU A 86 0.483 -4.277 -7.532 1.00 0.00 C ATOM 1403 O LEU A 86 0.941 -4.304 -8.654 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.841 -2.182 -7.682 1.00 0.00 C ATOM 1405 CG LEU A 86 -2.269 -2.380 -7.142 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.401 -3.716 -6.389 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.598 -1.226 -6.201 1.00 0.00 C ATOM 0 H LEU A 86 1.446 -1.280 -7.170 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.251 -3.148 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.589 -1.122 -7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.790 -2.516 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.964 -2.399 -7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.421 -3.826 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.169 -4.539 -7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.707 -3.730 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.608 -1.352 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.887 -1.216 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.535 -0.284 -6.745 1.00 0.00 H new ATOM 1419 N VAL A 87 0.234 -5.375 -6.886 1.00 0.00 N ATOM 1420 CA VAL A 87 0.522 -6.674 -7.536 1.00 0.00 C ATOM 1421 C VAL A 87 -0.621 -7.041 -8.482 1.00 0.00 C ATOM 1422 O VAL A 87 -1.466 -6.224 -8.794 1.00 0.00 O ATOM 1423 CB VAL A 87 0.664 -7.745 -6.473 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.742 -7.341 -5.468 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.674 -7.923 -5.766 1.00 0.00 C ATOM 0 H VAL A 87 -0.153 -5.429 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 87 1.448 -6.598 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 87 0.958 -8.687 -6.936 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.839 -8.115 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.694 -7.219 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.463 -6.400 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.581 -8.692 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.968 -6.982 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.431 -8.223 -6.490 1.00 0.00 H new ATOM 1435 N GLU A 88 -0.655 -8.259 -8.948 1.00 0.00 N ATOM 1436 CA GLU A 88 -1.742 -8.662 -9.884 1.00 0.00 C ATOM 1437 C GLU A 88 -2.475 -9.896 -9.354 1.00 0.00 C ATOM 1438 O GLU A 88 -3.686 -9.956 -9.367 1.00 0.00 O ATOM 1439 CB GLU A 88 -1.132 -8.989 -11.250 1.00 0.00 C ATOM 1440 CG GLU A 88 -1.231 -7.768 -12.166 1.00 0.00 C ATOM 1441 CD GLU A 88 -0.510 -8.062 -13.483 1.00 0.00 C ATOM 1442 OE1 GLU A 88 0.650 -8.438 -13.430 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -1.131 -7.909 -14.523 1.00 0.00 O ATOM 0 H GLU A 88 0.020 -8.990 -8.722 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.453 -7.841 -9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.089 -9.283 -11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.653 -9.835 -11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.277 -7.527 -12.357 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.786 -6.899 -11.681 1.00 0.00 H new ATOM 1450 N ARG A 89 -1.753 -10.888 -8.903 1.00 0.00 N ATOM 1451 CA ARG A 89 -2.412 -12.120 -8.391 1.00 0.00 C ATOM 1452 C ARG A 89 -1.439 -12.905 -7.510 1.00 0.00 C ATOM 1453 O ARG A 89 -0.267 -12.595 -7.438 1.00 0.00 O ATOM 1454 CB ARG A 89 -2.844 -12.987 -9.576 1.00 0.00 C ATOM 1455 CG ARG A 89 -4.154 -12.451 -10.147 1.00 0.00 C ATOM 1456 CD ARG A 89 -3.878 -11.681 -11.441 1.00 0.00 C ATOM 1457 NE ARG A 89 -5.046 -10.814 -11.769 1.00 0.00 N ATOM 1458 CZ ARG A 89 -6.258 -11.218 -11.503 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -6.834 -12.106 -12.268 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -6.893 -10.735 -10.473 1.00 0.00 N ATOM 0 H ARG A 89 -0.734 -10.896 -8.868 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.284 -11.844 -7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.071 -12.983 -10.345 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.970 -14.022 -9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.840 -13.275 -10.342 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.638 -11.798 -9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.981 -11.072 -11.329 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.690 -12.378 -12.257 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.897 -9.903 -12.202 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.336 -12.484 -13.074 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.781 -12.421 -12.059 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.443 -10.042 -9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.840 -11.050 -10.264 1.00 0.00 H new ATOM 1474 N TRP A 90 -1.914 -13.922 -6.839 1.00 0.00 N ATOM 1475 CA TRP A 90 -1.004 -14.718 -5.967 1.00 0.00 C ATOM 1476 C TRP A 90 -1.688 -15.982 -5.474 1.00 0.00 C ATOM 1477 O TRP A 90 -2.800 -16.305 -5.847 1.00 0.00 O ATOM 1478 CB TRP A 90 -0.633 -13.917 -4.732 1.00 0.00 C ATOM 1479 CG TRP A 90 -1.874 -13.615 -3.965 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -2.306 -14.320 -2.894 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -2.856 -12.564 -4.188 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -3.491 -13.770 -2.445 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -3.870 -12.684 -3.208 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -2.965 -11.529 -5.133 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -4.953 -11.807 -3.166 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -4.055 -10.647 -5.092 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -5.047 -10.785 -4.112 1.00 0.00 C ATOM 0 H TRP A 90 -2.885 -14.233 -6.857 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.125 -14.965 -6.562 1.00 0.00 H new ATOM 0 HB2 TRP A 90 0.066 -14.480 -4.113 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -0.132 -12.992 -5.018 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.806 -15.174 -2.461 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.021 -14.123 -1.648 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.207 -11.412 -5.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.714 -11.918 -2.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.130 -9.855 -5.822 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.883 -10.102 -4.089 1.00 0.00 H new ATOM 1498 N GLU A 91 -1.008 -16.694 -4.623 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.571 -17.946 -4.066 1.00 0.00 C ATOM 1500 C GLU A 91 -1.662 -17.857 -2.534 1.00 0.00 C ATOM 1501 O GLU A 91 -2.561 -18.404 -1.926 1.00 0.00 O ATOM 1502 CB GLU A 91 -0.646 -19.094 -4.444 1.00 0.00 C ATOM 1503 CG GLU A 91 -1.307 -20.410 -4.062 1.00 0.00 C ATOM 1504 CD GLU A 91 -1.196 -21.398 -5.224 1.00 0.00 C ATOM 1505 OE1 GLU A 91 -1.362 -20.973 -6.355 1.00 0.00 O ATOM 1506 OE2 GLU A 91 -0.945 -22.563 -4.962 1.00 0.00 O ATOM 0 H GLU A 91 -0.075 -16.456 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.572 -18.106 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.439 -19.074 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.311 -18.991 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.830 -20.823 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.355 -20.243 -3.813 1.00 0.00 H new ATOM 1513 N GLY A 92 -0.729 -17.191 -1.905 1.00 0.00 N ATOM 1514 CA GLY A 92 -0.750 -17.093 -0.412 1.00 0.00 C ATOM 1515 C GLY A 92 -1.740 -16.018 0.052 1.00 0.00 C ATOM 1516 O GLY A 92 -2.681 -15.683 -0.637 1.00 0.00 O ATOM 0 H GLY A 92 0.047 -16.710 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.027 -18.057 0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.249 -16.856 -0.045 1.00 0.00 H new ATOM 1520 N GLU A 93 -1.532 -15.485 1.230 1.00 0.00 N ATOM 1521 CA GLU A 93 -2.453 -14.437 1.761 1.00 0.00 C ATOM 1522 C GLU A 93 -1.769 -13.062 1.674 1.00 0.00 C ATOM 1523 O GLU A 93 -0.662 -12.904 2.132 1.00 0.00 O ATOM 1524 CB GLU A 93 -2.782 -14.750 3.223 1.00 0.00 C ATOM 1525 CG GLU A 93 -4.291 -14.953 3.376 1.00 0.00 C ATOM 1526 CD GLU A 93 -4.775 -14.238 4.637 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -4.096 -13.322 5.072 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -5.816 -14.617 5.148 1.00 0.00 O ATOM 0 H GLU A 93 -0.760 -15.733 1.849 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.371 -14.423 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.250 -15.646 3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.447 -13.935 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.812 -14.563 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.522 -16.017 3.437 1.00 0.00 H new ATOM 1535 N PRO A 94 -2.443 -12.110 1.082 1.00 0.00 N ATOM 1536 CA PRO A 94 -1.902 -10.742 0.911 1.00 0.00 C ATOM 1537 C PRO A 94 -1.553 -10.096 2.261 1.00 0.00 C ATOM 1538 O PRO A 94 -2.338 -10.119 3.188 1.00 0.00 O ATOM 1539 CB PRO A 94 -3.040 -9.962 0.232 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.232 -10.930 0.035 1.00 0.00 C ATOM 1541 CD PRO A 94 -3.796 -12.312 0.538 1.00 0.00 C ATOM 0 HA PRO A 94 -0.979 -10.746 0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.337 -9.111 0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.710 -9.564 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -5.105 -10.580 0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.517 -10.978 -1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.477 -12.687 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.791 -13.043 -0.271 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.393 -9.484 2.372 1.00 0.00 N ATOM 1550 CA TRP A 95 -0.029 -8.812 3.646 1.00 0.00 C ATOM 1551 C TRP A 95 -0.029 -7.312 3.416 1.00 0.00 C ATOM 1552 O TRP A 95 -0.418 -6.828 2.371 1.00 0.00 O ATOM 1553 CB TRP A 95 1.372 -9.233 4.113 1.00 0.00 C ATOM 1554 CG TRP A 95 2.341 -9.245 2.965 1.00 0.00 C ATOM 1555 CD1 TRP A 95 2.924 -10.358 2.475 1.00 0.00 C ATOM 1556 CD2 TRP A 95 2.873 -8.130 2.176 1.00 0.00 C ATOM 1557 NE1 TRP A 95 3.761 -10.014 1.435 1.00 0.00 N ATOM 1558 CE2 TRP A 95 3.766 -8.653 1.210 1.00 0.00 C ATOM 1559 CE3 TRP A 95 2.670 -6.737 2.194 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 4.432 -7.827 0.303 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 3.341 -5.905 1.280 1.00 0.00 C ATOM 1562 CH2 TRP A 95 4.218 -6.451 0.337 1.00 0.00 C ATOM 0 H TRP A 95 0.308 -9.426 1.634 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.752 -9.096 4.410 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.724 -8.547 4.883 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.326 -10.224 4.565 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.761 -11.361 2.840 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.310 -10.685 0.897 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.993 -6.304 2.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.110 -8.253 -0.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.178 -4.838 1.306 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.728 -5.807 -0.364 1.00 0.00 H new ATOM 1573 N GLY A 96 0.427 -6.572 4.377 1.00 0.00 N ATOM 1574 CA GLY A 96 0.481 -5.103 4.214 1.00 0.00 C ATOM 1575 C GLY A 96 0.220 -4.448 5.564 1.00 0.00 C ATOM 1576 O GLY A 96 0.876 -3.509 5.960 1.00 0.00 O ATOM 0 H GLY A 96 0.766 -6.923 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.456 -4.802 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.262 -4.777 3.486 1.00 0.00 H new ATOM 1580 N LYS A 97 -0.734 -4.956 6.273 1.00 0.00 N ATOM 1581 CA LYS A 97 -1.068 -4.403 7.604 1.00 0.00 C ATOM 1582 C LYS A 97 0.095 -4.640 8.570 1.00 0.00 C ATOM 1583 O LYS A 97 0.551 -5.754 8.744 1.00 0.00 O ATOM 1584 CB LYS A 97 -2.312 -5.114 8.126 1.00 0.00 C ATOM 1585 CG LYS A 97 -2.230 -6.607 7.798 1.00 0.00 C ATOM 1586 CD LYS A 97 -3.025 -7.406 8.833 1.00 0.00 C ATOM 1587 CE LYS A 97 -2.082 -7.893 9.935 1.00 0.00 C ATOM 1588 NZ LYS A 97 -1.303 -9.064 9.440 1.00 0.00 N ATOM 0 H LYS A 97 -1.309 -5.747 5.982 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.251 -3.331 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.398 -4.973 9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.205 -4.682 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.625 -6.792 6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.190 -6.932 7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.812 -6.785 9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.513 -8.256 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.405 -7.091 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.653 -8.171 10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.886 -9.570 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.934 -9.705 8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.545 -8.735 8.809 1.00 0.00 H new ATOM 1602 N GLU A 98 0.573 -3.607 9.207 1.00 0.00 N ATOM 1603 CA GLU A 98 1.700 -3.779 10.166 1.00 0.00 C ATOM 1604 C GLU A 98 1.137 -3.971 11.574 1.00 0.00 C ATOM 1605 O GLU A 98 1.506 -4.887 12.283 1.00 0.00 O ATOM 1606 CB GLU A 98 2.590 -2.536 10.139 1.00 0.00 C ATOM 1607 CG GLU A 98 3.661 -2.649 11.225 1.00 0.00 C ATOM 1608 CD GLU A 98 4.680 -1.522 11.054 1.00 0.00 C ATOM 1609 OE1 GLU A 98 4.471 -0.469 11.634 1.00 0.00 O ATOM 1610 OE2 GLU A 98 5.652 -1.729 10.347 1.00 0.00 O ATOM 0 H GLU A 98 0.232 -2.651 9.105 1.00 0.00 H new ATOM 0 HA GLU A 98 2.290 -4.651 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.059 -2.433 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.988 -1.642 10.299 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.201 -2.592 12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.159 -3.617 11.161 1.00 0.00 H new ATOM 1617 N GLY A 99 0.241 -3.115 11.984 1.00 0.00 N ATOM 1618 CA GLY A 99 -0.351 -3.246 13.344 1.00 0.00 C ATOM 1619 C GLY A 99 -1.875 -3.134 13.249 1.00 0.00 C ATOM 1620 O GLY A 99 -2.569 -3.109 14.246 1.00 0.00 O ATOM 0 H GLY A 99 -0.107 -2.329 11.434 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.073 -4.204 13.783 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.041 -2.469 14.000 1.00 0.00 H new ATOM 1624 N GLN A 100 -2.401 -3.064 12.054 1.00 0.00 N ATOM 1625 CA GLN A 100 -3.877 -2.952 11.893 1.00 0.00 C ATOM 1626 C GLN A 100 -4.430 -4.267 11.332 1.00 0.00 C ATOM 1627 O GLN A 100 -3.696 -5.058 10.777 1.00 0.00 O ATOM 1628 CB GLN A 100 -4.198 -1.807 10.934 1.00 0.00 C ATOM 1629 CG GLN A 100 -4.943 -0.706 11.691 1.00 0.00 C ATOM 1630 CD GLN A 100 -5.754 0.134 10.705 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -5.702 -0.090 9.512 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -6.509 1.098 11.155 1.00 0.00 N ATOM 0 H GLN A 100 -1.870 -3.080 11.183 1.00 0.00 H new ATOM 0 HA GLN A 100 -4.336 -2.751 12.861 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.279 -1.410 10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.807 -2.171 10.106 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.603 -1.147 12.438 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.234 -0.074 12.226 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.553 1.286 12.157 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.055 1.663 10.505 1.00 0.00 H new ATOM 1641 N PRO A 101 -5.712 -4.464 11.505 1.00 0.00 N ATOM 1642 CA PRO A 101 -6.389 -5.684 11.031 1.00 0.00 C ATOM 1643 C PRO A 101 -6.390 -5.765 9.502 1.00 0.00 C ATOM 1644 O PRO A 101 -6.392 -6.835 8.929 1.00 0.00 O ATOM 1645 CB PRO A 101 -7.827 -5.562 11.558 1.00 0.00 C ATOM 1646 CG PRO A 101 -7.965 -4.171 12.231 1.00 0.00 C ATOM 1647 CD PRO A 101 -6.584 -3.496 12.196 1.00 0.00 C ATOM 0 HA PRO A 101 -5.886 -6.585 11.383 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.543 -5.665 10.743 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.041 -6.356 12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.701 -3.563 11.705 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.313 -4.276 13.258 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.621 -2.546 11.663 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.221 -3.284 13.202 1.00 0.00 H new ATOM 1655 N GLY A 102 -6.408 -4.645 8.843 1.00 0.00 N ATOM 1656 CA GLY A 102 -6.434 -4.660 7.347 1.00 0.00 C ATOM 1657 C GLY A 102 -7.649 -5.469 6.892 1.00 0.00 C ATOM 1658 O GLY A 102 -8.223 -6.217 7.659 1.00 0.00 O ATOM 0 H GLY A 102 -6.406 -3.718 9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.489 -3.643 6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.517 -5.101 6.956 1.00 0.00 H new ATOM 1662 N GLU A 103 -8.064 -5.330 5.662 1.00 0.00 N ATOM 1663 CA GLU A 103 -9.256 -6.107 5.215 1.00 0.00 C ATOM 1664 C GLU A 103 -9.311 -6.172 3.692 1.00 0.00 C ATOM 1665 O GLU A 103 -8.373 -5.816 3.007 1.00 0.00 O ATOM 1666 CB GLU A 103 -10.525 -5.435 5.741 1.00 0.00 C ATOM 1667 CG GLU A 103 -10.679 -4.055 5.098 1.00 0.00 C ATOM 1668 CD GLU A 103 -12.115 -3.563 5.282 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -12.484 -3.279 6.410 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -12.823 -3.476 4.292 1.00 0.00 O ATOM 0 H GLU A 103 -7.640 -4.725 4.959 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.182 -7.121 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.395 -6.051 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.475 -5.339 6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.981 -3.351 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.434 -4.107 4.037 1.00 0.00 H new ATOM 1677 N TRP A 104 -10.414 -6.622 3.159 1.00 0.00 N ATOM 1678 CA TRP A 104 -10.550 -6.712 1.682 1.00 0.00 C ATOM 1679 C TRP A 104 -11.506 -5.618 1.196 1.00 0.00 C ATOM 1680 O TRP A 104 -12.576 -5.430 1.741 1.00 0.00 O ATOM 1681 CB TRP A 104 -11.111 -8.085 1.302 1.00 0.00 C ATOM 1682 CG TRP A 104 -10.268 -9.165 1.907 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -10.250 -9.492 3.220 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.331 -10.066 1.248 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -9.362 -10.535 3.409 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.771 -10.925 2.224 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -8.917 -10.223 -0.088 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -7.833 -11.903 1.887 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -7.972 -11.205 -0.429 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -7.432 -12.044 0.556 1.00 0.00 C ATOM 0 H TRP A 104 -11.229 -6.932 3.688 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.573 -6.579 1.216 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.140 -8.176 1.650 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -11.131 -8.192 0.217 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -10.834 -9.016 3.994 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -9.167 -10.964 4.314 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -9.328 -9.585 -0.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.420 -12.546 2.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -7.659 -11.314 -1.457 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -6.707 -12.798 0.286 1.00 0.00 H new ATOM 1701 N MET A 105 -11.129 -4.896 0.178 1.00 0.00 N ATOM 1702 CA MET A 105 -12.013 -3.816 -0.340 1.00 0.00 C ATOM 1703 C MET A 105 -12.597 -4.246 -1.687 1.00 0.00 C ATOM 1704 O MET A 105 -11.971 -4.952 -2.447 1.00 0.00 O ATOM 1705 CB MET A 105 -11.192 -2.535 -0.520 1.00 0.00 C ATOM 1706 CG MET A 105 -11.965 -1.538 -1.386 1.00 0.00 C ATOM 1707 SD MET A 105 -11.186 0.093 -1.273 1.00 0.00 S ATOM 1708 CE MET A 105 -9.530 -0.410 -1.800 1.00 0.00 C ATOM 0 H MET A 105 -10.245 -5.008 -0.318 1.00 0.00 H new ATOM 0 HA MET A 105 -12.824 -3.631 0.365 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.974 -2.093 0.452 1.00 0.00 H new ATOM 0 HB3 MET A 105 -10.235 -2.769 -0.986 1.00 0.00 H new ATOM 0 HG2 MET A 105 -11.979 -1.875 -2.423 1.00 0.00 H new ATOM 0 HG3 MET A 105 -13.002 -1.481 -1.056 1.00 0.00 H new ATOM 0 HE1 MET A 105 -8.806 -0.142 -1.030 1.00 0.00 H new ATOM 0 HE2 MET A 105 -9.510 -1.488 -1.957 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.275 0.097 -2.730 1.00 0.00 H new ATOM 1718 N SER A 106 -13.793 -3.829 -1.993 1.00 0.00 N ATOM 1719 CA SER A 106 -14.398 -4.223 -3.296 1.00 0.00 C ATOM 1720 C SER A 106 -13.905 -3.270 -4.386 1.00 0.00 C ATOM 1721 O SER A 106 -13.807 -2.076 -4.182 1.00 0.00 O ATOM 1722 CB SER A 106 -15.922 -4.147 -3.198 1.00 0.00 C ATOM 1723 OG SER A 106 -16.493 -4.538 -4.438 1.00 0.00 O ATOM 0 H SER A 106 -14.375 -3.236 -1.402 1.00 0.00 H new ATOM 0 HA SER A 106 -14.106 -5.244 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.279 -4.797 -2.399 1.00 0.00 H new ATOM 0 HB3 SER A 106 -16.231 -3.133 -2.946 1.00 0.00 H new ATOM 0 HG SER A 106 -17.427 -4.800 -4.300 1.00 0.00 H new ATOM 1729 N LEU A 107 -13.589 -3.786 -5.540 1.00 0.00 N ATOM 1730 CA LEU A 107 -13.098 -2.910 -6.637 1.00 0.00 C ATOM 1731 C LEU A 107 -14.177 -2.792 -7.715 1.00 0.00 C ATOM 1732 O LEU A 107 -13.969 -3.138 -8.860 1.00 0.00 O ATOM 1733 CB LEU A 107 -11.831 -3.513 -7.240 1.00 0.00 C ATOM 1734 CG LEU A 107 -10.962 -2.397 -7.819 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -9.550 -2.929 -8.071 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -11.568 -1.913 -9.138 1.00 0.00 C ATOM 0 H LEU A 107 -13.650 -4.778 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.873 -1.919 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -11.278 -4.061 -6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -12.091 -4.228 -8.020 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.917 -1.567 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.930 -2.133 -8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.119 -3.275 -7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.594 -3.758 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.949 -1.117 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.613 -2.742 -9.844 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -12.574 -1.534 -8.959 1.00 0.00 H new ATOM 1748 N VAL A 108 -15.326 -2.296 -7.354 1.00 0.00 N ATOM 1749 CA VAL A 108 -16.423 -2.143 -8.353 1.00 0.00 C ATOM 1750 C VAL A 108 -16.359 -0.733 -8.934 1.00 0.00 C ATOM 1751 O VAL A 108 -17.316 -0.228 -9.487 1.00 0.00 O ATOM 1752 CB VAL A 108 -17.774 -2.354 -7.668 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -18.811 -2.787 -8.706 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -17.637 -3.441 -6.599 1.00 0.00 C ATOM 0 H VAL A 108 -15.555 -1.989 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.309 -2.880 -9.148 1.00 0.00 H new ATOM 0 HB VAL A 108 -18.095 -1.423 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.774 -2.937 -8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -18.908 -2.014 -9.468 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -18.492 -3.719 -9.173 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -18.599 -3.593 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.316 -4.372 -7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.898 -3.133 -5.859 1.00 0.00 H new ATOM 1764 N GLY A 109 -15.233 -0.094 -8.800 1.00 0.00 N ATOM 1765 CA GLY A 109 -15.083 1.288 -9.323 1.00 0.00 C ATOM 1766 C GLY A 109 -14.173 2.060 -8.375 1.00 0.00 C ATOM 1767 O GLY A 109 -14.494 3.146 -7.936 1.00 0.00 O ATOM 0 H GLY A 109 -14.403 -0.475 -8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.659 1.271 -10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -16.056 1.774 -9.396 1.00 0.00 H new ATOM 1771 N LEU A 110 -13.042 1.494 -8.047 1.00 0.00 N ATOM 1772 CA LEU A 110 -12.105 2.173 -7.121 1.00 0.00 C ATOM 1773 C LEU A 110 -12.040 3.660 -7.468 1.00 0.00 C ATOM 1774 O LEU A 110 -12.083 4.039 -8.622 1.00 0.00 O ATOM 1775 CB LEU A 110 -10.718 1.548 -7.269 1.00 0.00 C ATOM 1776 CG LEU A 110 -10.303 0.882 -5.954 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.980 0.141 -6.152 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -10.126 1.949 -4.872 1.00 0.00 C ATOM 0 H LEU A 110 -12.730 0.584 -8.386 1.00 0.00 H new ATOM 0 HA LEU A 110 -12.449 2.058 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -10.725 0.812 -8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.992 2.313 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 110 -11.076 0.177 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.685 -0.333 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.101 -0.621 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.209 0.848 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.831 1.473 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.354 2.655 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.067 2.480 -4.728 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.943 4.504 -6.485 1.00 0.00 N ATOM 1791 CA ASN A 111 -11.881 5.964 -6.766 1.00 0.00 C ATOM 1792 C ASN A 111 -10.760 6.595 -5.942 1.00 0.00 C ATOM 1793 O ASN A 111 -10.371 6.079 -4.912 1.00 0.00 O ATOM 1794 CB ASN A 111 -13.216 6.609 -6.388 1.00 0.00 C ATOM 1795 CG ASN A 111 -13.646 7.579 -7.487 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -13.032 7.641 -8.533 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -14.685 8.344 -7.295 1.00 0.00 N ATOM 0 H ASN A 111 -11.904 4.248 -5.498 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.685 6.123 -7.826 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.976 5.840 -6.249 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -13.120 7.137 -5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -14.981 8.994 -8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -15.201 8.292 -6.417 1.00 0.00 H new ATOM 1804 N ALA A 112 -10.240 7.707 -6.380 1.00 0.00 N ATOM 1805 CA ALA A 112 -9.149 8.368 -5.613 1.00 0.00 C ATOM 1806 C ALA A 112 -9.694 8.793 -4.252 1.00 0.00 C ATOM 1807 O ALA A 112 -8.951 9.035 -3.322 1.00 0.00 O ATOM 1808 CB ALA A 112 -8.656 9.598 -6.379 1.00 0.00 C ATOM 0 H ALA A 112 -10.523 8.186 -7.235 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.317 7.677 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.857 10.081 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.279 9.292 -7.355 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.481 10.298 -6.512 1.00 0.00 H new ATOM 1814 N ASP A 113 -10.988 8.883 -4.129 1.00 0.00 N ATOM 1815 CA ASP A 113 -11.582 9.285 -2.834 1.00 0.00 C ATOM 1816 C ASP A 113 -11.913 8.039 -2.017 1.00 0.00 C ATOM 1817 O ASP A 113 -12.727 8.070 -1.115 1.00 0.00 O ATOM 1818 CB ASP A 113 -12.847 10.107 -3.079 1.00 0.00 C ATOM 1819 CG ASP A 113 -13.522 10.427 -1.744 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -12.832 10.427 -0.739 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -14.718 10.671 -1.751 1.00 0.00 O ATOM 0 H ASP A 113 -11.658 8.694 -4.874 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.869 9.895 -2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.597 11.030 -3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.533 9.554 -3.721 1.00 0.00 H new ATOM 1826 N ASP A 114 -11.265 6.943 -2.305 1.00 0.00 N ATOM 1827 CA ASP A 114 -11.523 5.708 -1.521 1.00 0.00 C ATOM 1828 C ASP A 114 -10.784 5.830 -0.203 1.00 0.00 C ATOM 1829 O ASP A 114 -10.882 4.983 0.660 1.00 0.00 O ATOM 1830 CB ASP A 114 -11.022 4.485 -2.293 1.00 0.00 C ATOM 1831 CG ASP A 114 -12.162 3.475 -2.445 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -13.055 3.487 -1.616 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -12.120 2.706 -3.392 1.00 0.00 O ATOM 0 H ASP A 114 -10.571 6.852 -3.047 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.592 5.586 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -10.656 4.786 -3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -10.184 4.027 -1.767 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.076 6.905 -0.019 1.00 0.00 N ATOM 1839 CA PHE A 115 -9.378 7.092 1.267 1.00 0.00 C ATOM 1840 C PHE A 115 -9.028 8.555 1.468 1.00 0.00 C ATOM 1841 O PHE A 115 -8.964 9.325 0.530 1.00 0.00 O ATOM 1842 CB PHE A 115 -8.086 6.259 1.374 1.00 0.00 C ATOM 1843 CG PHE A 115 -7.623 5.715 0.041 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -7.772 6.452 -1.138 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -7.012 4.455 0.002 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -7.319 5.925 -2.352 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -6.556 3.930 -1.208 1.00 0.00 C ATOM 1848 CZ PHE A 115 -6.709 4.665 -2.388 1.00 0.00 C ATOM 0 H PHE A 115 -9.954 7.654 -0.701 1.00 0.00 H new ATOM 0 HA PHE A 115 -10.066 6.750 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.296 6.876 1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -8.251 5.429 2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.236 7.427 -1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -6.893 3.887 0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.440 6.491 -3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -6.086 2.958 -1.233 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.357 4.261 -3.326 1.00 0.00 H new ATOM 1858 N PRO A 116 -8.788 8.877 2.707 1.00 0.00 N ATOM 1859 CA PRO A 116 -8.404 10.228 3.115 1.00 0.00 C ATOM 1860 C PRO A 116 -7.489 10.870 2.054 1.00 0.00 C ATOM 1861 O PRO A 116 -6.480 10.303 1.688 1.00 0.00 O ATOM 1862 CB PRO A 116 -7.680 9.963 4.438 1.00 0.00 C ATOM 1863 CG PRO A 116 -8.275 8.661 5.012 1.00 0.00 C ATOM 1864 CD PRO A 116 -8.866 7.905 3.819 1.00 0.00 C ATOM 0 HA PRO A 116 -9.232 10.929 3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.607 9.861 4.279 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.822 10.793 5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.508 8.067 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -9.042 8.877 5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -8.299 7.000 3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.894 7.598 4.010 1.00 0.00 H new ATOM 1872 N PRO A 117 -7.891 12.029 1.574 1.00 0.00 N ATOM 1873 CA PRO A 117 -7.142 12.761 0.530 1.00 0.00 C ATOM 1874 C PRO A 117 -5.714 13.073 0.983 1.00 0.00 C ATOM 1875 O PRO A 117 -5.467 13.358 2.139 1.00 0.00 O ATOM 1876 CB PRO A 117 -7.931 14.060 0.315 1.00 0.00 C ATOM 1877 CG PRO A 117 -9.166 14.023 1.250 1.00 0.00 C ATOM 1878 CD PRO A 117 -9.116 12.705 2.038 1.00 0.00 C ATOM 0 HA PRO A 117 -7.049 12.173 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -7.309 14.927 0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.242 14.150 -0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -9.157 14.875 1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.087 14.087 0.670 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.083 12.888 3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -10.000 12.096 1.846 1.00 0.00 H new ATOM 1886 N ALA A 118 -4.781 13.028 0.067 1.00 0.00 N ATOM 1887 CA ALA A 118 -3.357 13.324 0.407 1.00 0.00 C ATOM 1888 C ALA A 118 -2.441 12.659 -0.627 1.00 0.00 C ATOM 1889 O ALA A 118 -1.289 13.014 -0.769 1.00 0.00 O ATOM 1890 CB ALA A 118 -3.028 12.772 1.796 1.00 0.00 C ATOM 0 H ALA A 118 -4.947 12.796 -0.912 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.204 14.403 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.988 12.991 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -3.679 13.238 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -3.183 11.693 1.805 1.00 0.00 H new ATOM 1896 N ASN A 119 -2.945 11.686 -1.340 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.114 10.985 -2.351 1.00 0.00 C ATOM 1898 C ASN A 119 -2.752 11.149 -3.736 1.00 0.00 C ATOM 1899 O ASN A 119 -2.822 10.227 -4.508 1.00 0.00 O ATOM 1900 CB ASN A 119 -2.067 9.503 -1.990 1.00 0.00 C ATOM 1901 CG ASN A 119 -0.717 9.169 -1.356 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -0.060 8.229 -1.757 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -0.274 9.903 -0.372 1.00 0.00 N ATOM 0 H ASN A 119 -3.904 11.348 -1.261 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.107 11.403 -2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.874 9.262 -1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.220 8.896 -2.883 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.624 9.688 0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.826 10.692 -0.036 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.225 12.318 -4.047 1.00 0.00 N ATOM 1911 CA GLU A 120 -3.877 12.546 -5.374 1.00 0.00 C ATOM 1912 C GLU A 120 -2.933 12.276 -6.574 1.00 0.00 C ATOM 1913 O GLU A 120 -3.380 11.770 -7.583 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.370 13.992 -5.440 1.00 0.00 C ATOM 1915 CG GLU A 120 -5.576 14.161 -4.514 1.00 0.00 C ATOM 1916 CD GLU A 120 -6.682 14.922 -5.249 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -6.391 15.489 -6.289 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -7.799 14.923 -4.759 1.00 0.00 O ATOM 0 H GLU A 120 -3.191 13.136 -3.439 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.702 11.839 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.572 14.674 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.645 14.248 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.942 13.185 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.284 14.702 -3.614 1.00 0.00 H new ATOM 1925 N PRO A 121 -1.677 12.653 -6.464 1.00 0.00 N ATOM 1926 CA PRO A 121 -0.703 12.488 -7.568 1.00 0.00 C ATOM 1927 C PRO A 121 -0.475 11.016 -7.954 1.00 0.00 C ATOM 1928 O PRO A 121 -0.467 10.681 -9.122 1.00 0.00 O ATOM 1929 CB PRO A 121 0.597 13.109 -7.039 1.00 0.00 C ATOM 1930 CG PRO A 121 0.310 13.663 -5.622 1.00 0.00 C ATOM 1931 CD PRO A 121 -1.125 13.265 -5.250 1.00 0.00 C ATOM 0 HA PRO A 121 -1.069 12.965 -8.477 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.391 12.363 -7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.937 13.906 -7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.019 13.256 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.424 14.747 -5.604 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.136 12.565 -4.415 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.709 14.134 -4.945 1.00 0.00 H new ATOM 1939 N VAL A 122 -0.270 10.133 -7.010 1.00 0.00 N ATOM 1940 CA VAL A 122 -0.026 8.710 -7.386 1.00 0.00 C ATOM 1941 C VAL A 122 -1.364 7.975 -7.441 1.00 0.00 C ATOM 1942 O VAL A 122 -1.547 7.042 -8.195 1.00 0.00 O ATOM 1943 CB VAL A 122 0.924 8.075 -6.353 1.00 0.00 C ATOM 1944 CG1 VAL A 122 0.281 6.860 -5.671 1.00 0.00 C ATOM 1945 CG2 VAL A 122 2.205 7.633 -7.059 1.00 0.00 C ATOM 0 H VAL A 122 -0.261 10.332 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 122 0.442 8.643 -8.368 1.00 0.00 H new ATOM 0 HB VAL A 122 1.144 8.819 -5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.979 6.437 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.629 7.170 -5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.036 6.109 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.883 7.182 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.962 6.903 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.685 8.498 -7.516 1.00 0.00 H new ATOM 1955 N ILE A 123 -2.293 8.402 -6.646 1.00 0.00 N ATOM 1956 CA ILE A 123 -3.624 7.758 -6.635 1.00 0.00 C ATOM 1957 C ILE A 123 -4.275 7.968 -7.996 1.00 0.00 C ATOM 1958 O ILE A 123 -4.992 7.123 -8.497 1.00 0.00 O ATOM 1959 CB ILE A 123 -4.474 8.410 -5.552 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -3.924 7.995 -4.175 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -5.935 7.983 -5.718 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.707 6.810 -3.608 1.00 0.00 C ATOM 0 H ILE A 123 -2.185 9.180 -5.995 1.00 0.00 H new ATOM 0 HA ILE A 123 -3.533 6.691 -6.433 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.431 9.496 -5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.870 7.730 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.983 8.838 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.541 8.451 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -6.296 8.295 -6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.009 6.899 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.299 6.536 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.756 7.086 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.625 5.961 -4.287 1.00 0.00 H new ATOM 1974 N ALA A 124 -4.022 9.094 -8.603 1.00 0.00 N ATOM 1975 CA ALA A 124 -4.617 9.364 -9.939 1.00 0.00 C ATOM 1976 C ALA A 124 -4.132 8.306 -10.936 1.00 0.00 C ATOM 1977 O ALA A 124 -4.726 8.094 -11.974 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.188 10.754 -10.417 1.00 0.00 C ATOM 0 H ALA A 124 -3.430 9.837 -8.232 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.704 9.325 -9.869 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.624 10.953 -11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.533 11.506 -9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.101 10.795 -10.489 1.00 0.00 H new ATOM 1984 N LYS A 125 -3.044 7.654 -10.630 1.00 0.00 N ATOM 1985 CA LYS A 125 -2.496 6.623 -11.553 1.00 0.00 C ATOM 1986 C LYS A 125 -3.242 5.292 -11.395 1.00 0.00 C ATOM 1987 O LYS A 125 -3.836 4.798 -12.333 1.00 0.00 O ATOM 1988 CB LYS A 125 -1.010 6.412 -11.250 1.00 0.00 C ATOM 1989 CG LYS A 125 -0.225 6.348 -12.561 1.00 0.00 C ATOM 1990 CD LYS A 125 0.074 7.769 -13.044 1.00 0.00 C ATOM 1991 CE LYS A 125 -0.299 7.895 -14.522 1.00 0.00 C ATOM 1992 NZ LYS A 125 0.905 8.289 -15.305 1.00 0.00 N ATOM 0 H LYS A 125 -2.508 7.793 -9.773 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.625 6.971 -12.578 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.636 7.226 -10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.871 5.490 -10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.705 5.799 -12.414 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.798 5.809 -13.315 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.489 8.491 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.131 7.997 -12.904 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.692 6.948 -14.891 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.087 8.638 -14.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 0.653 8.375 -16.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.261 9.202 -14.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.643 7.565 -15.194 1.00 0.00 H new ATOM 2006 N LEU A 126 -3.200 4.687 -10.234 1.00 0.00 N ATOM 2007 CA LEU A 126 -3.885 3.386 -10.057 1.00 0.00 C ATOM 2008 C LEU A 126 -5.392 3.570 -9.864 1.00 0.00 C ATOM 2009 O LEU A 126 -6.056 2.709 -9.328 1.00 0.00 O ATOM 2010 CB LEU A 126 -3.281 2.677 -8.848 1.00 0.00 C ATOM 2011 CG LEU A 126 -3.949 3.145 -7.553 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -3.190 2.574 -6.357 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -3.920 4.669 -7.487 1.00 0.00 C ATOM 0 H LEU A 126 -2.720 5.043 -9.407 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.743 2.785 -10.955 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.401 1.599 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.210 2.875 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.982 2.799 -7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.664 2.906 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.206 1.485 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.158 2.923 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.396 5.002 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.886 5.014 -7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -4.457 5.080 -8.342 1.00 0.00 H new ATOM 2025 N LYS A 127 -5.950 4.661 -10.304 1.00 0.00 N ATOM 2026 CA LYS A 127 -7.404 4.839 -10.157 1.00 0.00 C ATOM 2027 C LYS A 127 -8.094 3.796 -11.025 1.00 0.00 C ATOM 2028 O LYS A 127 -9.135 3.267 -10.688 1.00 0.00 O ATOM 2029 CB LYS A 127 -7.764 6.226 -10.655 1.00 0.00 C ATOM 2030 CG LYS A 127 -7.572 7.227 -9.523 1.00 0.00 C ATOM 2031 CD LYS A 127 -8.737 8.220 -9.511 1.00 0.00 C ATOM 2032 CE LYS A 127 -8.211 9.627 -9.795 1.00 0.00 C ATOM 2033 NZ LYS A 127 -9.310 10.463 -10.352 1.00 0.00 N ATOM 0 H LYS A 127 -5.457 5.431 -10.757 1.00 0.00 H new ATOM 0 HA LYS A 127 -7.713 4.726 -9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -7.137 6.495 -11.505 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -8.797 6.245 -11.002 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -7.517 6.705 -8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -6.629 7.759 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -9.476 7.938 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.239 8.196 -8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -7.827 10.075 -8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -7.381 9.581 -10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.954 11.421 -10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.657 10.037 -11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.089 10.516 -9.664 1.00 0.00 H new ATOM 2047 N ARG A 128 -7.507 3.505 -12.151 1.00 0.00 N ATOM 2048 CA ARG A 128 -8.092 2.507 -13.073 1.00 0.00 C ATOM 2049 C ARG A 128 -7.783 1.089 -12.577 1.00 0.00 C ATOM 2050 O ARG A 128 -8.173 0.120 -13.198 1.00 0.00 O ATOM 2051 CB ARG A 128 -7.480 2.703 -14.459 1.00 0.00 C ATOM 2052 CG ARG A 128 -8.466 3.452 -15.356 1.00 0.00 C ATOM 2053 CD ARG A 128 -8.194 3.094 -16.819 1.00 0.00 C ATOM 2054 NE ARG A 128 -6.921 3.736 -17.254 1.00 0.00 N ATOM 2055 CZ ARG A 128 -6.334 3.345 -18.353 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -6.702 3.842 -19.502 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -5.377 2.458 -18.302 1.00 0.00 N ATOM 0 H ARG A 128 -6.635 3.925 -12.472 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.173 2.639 -13.116 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -6.548 3.263 -14.380 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -7.235 1.736 -14.899 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -9.490 3.188 -15.090 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -8.365 4.527 -15.208 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -8.127 2.012 -16.934 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -9.018 3.431 -17.447 1.00 0.00 H new ATOM 0 HE ARG A 128 -6.508 4.481 -16.693 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -7.448 4.536 -19.542 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -6.243 3.536 -20.360 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -5.088 2.071 -17.404 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -4.918 2.153 -19.160 1.00 0.00 H new ATOM 2071 N LEU A 129 -7.083 0.970 -11.469 1.00 0.00 N ATOM 2072 CA LEU A 129 -6.734 -0.375 -10.905 1.00 0.00 C ATOM 2073 C LEU A 129 -7.761 -1.429 -11.331 1.00 0.00 C ATOM 2074 O LEU A 129 -8.939 -1.205 -11.107 1.00 0.00 O ATOM 2075 CB LEU A 129 -6.729 -0.283 -9.378 1.00 0.00 C ATOM 2076 CG LEU A 129 -5.504 -0.998 -8.808 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -4.241 -0.488 -9.506 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -5.408 -0.710 -7.307 1.00 0.00 C ATOM 2079 OXT LEU A 129 -7.350 -2.441 -11.874 1.00 0.00 O ATOM 0 H LEU A 129 -6.735 1.760 -10.926 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.753 -0.668 -11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.725 0.763 -9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.639 -0.730 -8.977 1.00 0.00 H new ATOM 0 HG LEU A 129 -5.598 -2.071 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.369 -0.999 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.311 -0.687 -10.575 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -4.143 0.585 -9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -4.536 -1.217 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -5.312 0.364 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.308 -1.071 -6.809 1.00 0.00 H new