USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 671 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 TYR OH : rot 36:sc= -2.86! USER MOD Set 1.2: A 34 HIS : no HD1:sc= -3.78! C(o=-6.6!,f=-3.1!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -24:sc= -0.0283 USER MOD Single : A 28 ASN : amide:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 32 THR OG1 : rot -70:sc= -0.988 USER MOD Single : A 37 SER OG : rot -30:sc= 0.135 USER MOD Single : A 38 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.57) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.062) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.085) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 142:sc= -2.9! (180deg=-9.19!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= -0.593 X(o=-0.59,f=-0.87) USER MOD Single : A 164 LYS NZ :NH3+ 149:sc= -1.8! (180deg=-3.74!) USER MOD Single : A 165 SER OG : rot 180:sc= -0.113 USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 9.543 -4.514 12.064 1.00 0.00 N ATOM 12 CA LYS A 2 9.124 -3.894 10.818 1.00 0.00 C ATOM 13 C LYS A 2 9.182 -4.930 9.693 1.00 0.00 C ATOM 14 O LYS A 2 10.138 -5.700 9.603 1.00 0.00 O ATOM 15 CB LYS A 2 9.950 -2.637 10.540 1.00 0.00 C ATOM 16 CG LYS A 2 9.338 -1.414 11.227 1.00 0.00 C ATOM 17 CD LYS A 2 9.934 -1.213 12.622 1.00 0.00 C ATOM 18 CE LYS A 2 8.839 -1.213 13.691 1.00 0.00 C ATOM 19 NZ LYS A 2 8.133 0.088 13.707 1.00 0.00 N ATOM 0 HA LYS A 2 8.090 -3.558 10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.971 -2.783 10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.006 -2.465 9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.515 -0.526 10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.258 -1.538 11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.652 -2.005 12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.480 -0.270 12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.129 -2.017 13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.277 -1.408 14.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.393 0.072 14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.811 0.848 13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.698 0.259 12.778 1.00 0.00 H new ATOM 33 N LYS A 3 8.148 -4.915 8.866 1.00 0.00 N ATOM 34 CA LYS A 3 8.070 -5.843 7.749 1.00 0.00 C ATOM 35 C LYS A 3 6.823 -5.531 6.919 1.00 0.00 C ATOM 36 O LYS A 3 5.868 -6.306 6.913 1.00 0.00 O ATOM 37 CB LYS A 3 8.130 -7.288 8.250 1.00 0.00 C ATOM 38 CG LYS A 3 8.099 -8.275 7.080 1.00 0.00 C ATOM 39 CD LYS A 3 9.182 -9.344 7.235 1.00 0.00 C ATOM 40 CE LYS A 3 10.577 -8.714 7.232 1.00 0.00 C ATOM 41 NZ LYS A 3 11.211 -8.863 5.904 1.00 0.00 N ATOM 0 H LYS A 3 7.357 -4.276 8.946 1.00 0.00 H new ATOM 0 HA LYS A 3 8.930 -5.721 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.039 -7.437 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.289 -7.481 8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.119 -8.750 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.245 -7.738 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.028 -9.891 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.104 -10.067 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.506 -7.658 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.198 -9.187 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.156 -8.430 5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.297 -9.873 5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.626 -8.391 5.185 1.00 0.00 H new ATOM 55 N ILE A 4 6.874 -4.396 6.237 1.00 0.00 N ATOM 56 CA ILE A 4 5.761 -3.971 5.405 1.00 0.00 C ATOM 57 C ILE A 4 5.814 -4.718 4.071 1.00 0.00 C ATOM 58 O ILE A 4 6.894 -5.048 3.583 1.00 0.00 O ATOM 59 CB ILE A 4 5.752 -2.449 5.258 1.00 0.00 C ATOM 60 CG1 ILE A 4 6.265 -1.771 6.531 1.00 0.00 C ATOM 61 CG2 ILE A 4 4.364 -1.944 4.860 1.00 0.00 C ATOM 62 CD1 ILE A 4 7.691 -1.251 6.339 1.00 0.00 C ATOM 0 H ILE A 4 7.669 -3.757 6.244 1.00 0.00 H new ATOM 0 HA ILE A 4 4.813 -4.227 5.877 1.00 0.00 H new ATOM 0 HB ILE A 4 6.435 -2.181 4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.606 -0.945 6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.241 -2.479 7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.386 -0.859 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.074 -2.388 3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.641 -2.225 5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.031 -0.774 7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.352 -2.083 6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.707 -0.525 5.526 1.00 0.00 H new ATOM 74 N GLY A 5 4.635 -4.963 3.520 1.00 0.00 N ATOM 75 CA GLY A 5 4.535 -5.665 2.251 1.00 0.00 C ATOM 76 C GLY A 5 3.489 -5.011 1.345 1.00 0.00 C ATOM 77 O GLY A 5 2.804 -4.076 1.756 1.00 0.00 O ATOM 0 H GLY A 5 3.741 -4.689 3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.505 -5.664 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.268 -6.707 2.427 1.00 0.00 H new ATOM 81 N LEU A 6 3.400 -5.527 0.128 1.00 0.00 N ATOM 82 CA LEU A 6 2.452 -5.003 -0.840 1.00 0.00 C ATOM 83 C LEU A 6 1.728 -6.168 -1.519 1.00 0.00 C ATOM 84 O LEU A 6 2.353 -6.981 -2.197 1.00 0.00 O ATOM 85 CB LEU A 6 3.151 -4.060 -1.820 1.00 0.00 C ATOM 86 CG LEU A 6 4.379 -3.323 -1.281 1.00 0.00 C ATOM 87 CD1 LEU A 6 5.671 -3.983 -1.766 1.00 0.00 C ATOM 88 CD2 LEU A 6 4.326 -1.836 -1.635 1.00 0.00 C ATOM 0 H LEU A 6 3.969 -6.303 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 6 1.693 -4.401 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.452 -4.636 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.427 -3.319 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 6 4.370 -3.394 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.528 -3.440 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.704 -5.016 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.703 -3.964 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.210 -1.336 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.298 -1.721 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.432 -1.390 -1.199 1.00 0.00 H new ATOM 100 N PHE A 7 0.420 -6.211 -1.313 1.00 0.00 N ATOM 101 CA PHE A 7 -0.395 -7.262 -1.897 1.00 0.00 C ATOM 102 C PHE A 7 -1.595 -6.675 -2.644 1.00 0.00 C ATOM 103 O PHE A 7 -2.404 -5.956 -2.059 1.00 0.00 O ATOM 104 CB PHE A 7 -0.904 -8.127 -0.742 1.00 0.00 C ATOM 105 CG PHE A 7 0.171 -9.012 -0.109 1.00 0.00 C ATOM 106 CD1 PHE A 7 1.252 -8.446 0.491 1.00 0.00 C ATOM 107 CD2 PHE A 7 0.045 -10.366 -0.144 1.00 0.00 C ATOM 108 CE1 PHE A 7 2.250 -9.267 1.081 1.00 0.00 C ATOM 109 CE2 PHE A 7 1.043 -11.187 0.445 1.00 0.00 C ATOM 110 CZ PHE A 7 2.124 -10.620 1.045 1.00 0.00 C ATOM 0 H PHE A 7 -0.095 -5.535 -0.750 1.00 0.00 H new ATOM 0 HA PHE A 7 0.196 -7.838 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.325 -7.479 0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.714 -8.760 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.352 -7.371 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.814 -10.817 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.108 -8.817 1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.944 -12.262 0.416 1.00 0.00 H new ATOM 0 HZ PHE A 7 2.882 -11.245 1.493 1.00 0.00 H new ATOM 120 N TYR A 8 -1.672 -7.003 -3.925 1.00 0.00 N ATOM 121 CA TYR A 8 -2.757 -6.517 -4.759 1.00 0.00 C ATOM 122 C TYR A 8 -3.307 -7.632 -5.651 1.00 0.00 C ATOM 123 O TYR A 8 -2.827 -8.764 -5.602 1.00 0.00 O ATOM 124 CB TYR A 8 -2.154 -5.424 -5.643 1.00 0.00 C ATOM 125 CG TYR A 8 -0.720 -5.710 -6.096 1.00 0.00 C ATOM 126 CD1 TYR A 8 0.303 -5.729 -5.170 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.452 -5.949 -7.427 1.00 0.00 C ATOM 128 CE1 TYR A 8 1.652 -5.999 -5.595 1.00 0.00 C ATOM 129 CE2 TYR A 8 0.898 -6.219 -7.852 1.00 0.00 C ATOM 130 CZ TYR A 8 1.883 -6.230 -6.914 1.00 0.00 C ATOM 131 OH TYR A 8 3.158 -6.483 -7.316 1.00 0.00 O ATOM 0 H TYR A 8 -1.000 -7.600 -4.406 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.578 -6.151 -4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.783 -5.295 -6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.171 -4.480 -5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.092 -5.542 -4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.253 -5.934 -8.151 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.462 -6.018 -4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.123 -6.408 -8.891 1.00 0.00 H new ATOM 0 HH TYR A 8 3.621 -7.005 -6.628 1.00 0.00 H new ATOM 141 N GLY A 9 -4.305 -7.274 -6.445 1.00 0.00 N ATOM 142 CA GLY A 9 -4.924 -8.231 -7.346 1.00 0.00 C ATOM 143 C GLY A 9 -4.446 -8.020 -8.783 1.00 0.00 C ATOM 144 O GLY A 9 -4.642 -8.880 -9.640 1.00 0.00 O ATOM 0 H GLY A 9 -4.700 -6.335 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.685 -9.245 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.008 -8.129 -7.301 1.00 0.00 H new ATOM 252 N SER A 17 11.384 -0.183 -12.067 1.00 0.00 N ATOM 253 CA SER A 17 11.078 -1.003 -10.906 1.00 0.00 C ATOM 254 C SER A 17 10.642 -0.116 -9.738 1.00 0.00 C ATOM 255 O SER A 17 11.453 0.230 -8.880 1.00 0.00 O ATOM 256 CB SER A 17 12.281 -1.858 -10.504 1.00 0.00 C ATOM 257 OG SER A 17 13.487 -1.101 -10.473 1.00 0.00 O ATOM 0 HA SER A 17 10.260 -1.675 -11.167 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.103 -2.296 -9.522 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.390 -2.684 -11.207 1.00 0.00 H new ATOM 0 HG SER A 17 13.397 -0.318 -11.055 1.00 0.00 H new ATOM 263 N VAL A 18 9.363 0.228 -9.743 1.00 0.00 N ATOM 264 CA VAL A 18 8.809 1.068 -8.694 1.00 0.00 C ATOM 265 C VAL A 18 9.092 0.429 -7.333 1.00 0.00 C ATOM 266 O VAL A 18 9.417 1.125 -6.373 1.00 0.00 O ATOM 267 CB VAL A 18 7.318 1.304 -8.945 1.00 0.00 C ATOM 268 CG1 VAL A 18 6.540 -0.012 -8.897 1.00 0.00 C ATOM 269 CG2 VAL A 18 6.748 2.315 -7.949 1.00 0.00 C ATOM 0 H VAL A 18 8.694 -0.060 -10.457 1.00 0.00 H new ATOM 0 HA VAL A 18 9.285 2.049 -8.699 1.00 0.00 H new ATOM 0 HB VAL A 18 7.208 1.722 -9.946 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.483 0.183 -9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.921 -0.688 -9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.661 -0.471 -7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.687 2.465 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.876 1.938 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.274 3.264 -8.052 1.00 0.00 H new ATOM 279 N ALA A 19 8.959 -0.888 -7.295 1.00 0.00 N ATOM 280 CA ALA A 19 9.196 -1.629 -6.067 1.00 0.00 C ATOM 281 C ALA A 19 10.581 -1.272 -5.521 1.00 0.00 C ATOM 282 O ALA A 19 10.798 -1.289 -4.309 1.00 0.00 O ATOM 283 CB ALA A 19 9.045 -3.127 -6.336 1.00 0.00 C ATOM 0 H ALA A 19 8.690 -1.462 -8.094 1.00 0.00 H new ATOM 0 HA ALA A 19 8.461 -1.359 -5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.223 -3.682 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.036 -3.332 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.768 -3.436 -7.091 1.00 0.00 H new ATOM 289 N GLU A 20 11.480 -0.956 -6.441 1.00 0.00 N ATOM 290 CA GLU A 20 12.838 -0.597 -6.067 1.00 0.00 C ATOM 291 C GLU A 20 12.864 0.803 -5.450 1.00 0.00 C ATOM 292 O GLU A 20 13.534 1.028 -4.442 1.00 0.00 O ATOM 293 CB GLU A 20 13.780 -0.684 -7.269 1.00 0.00 C ATOM 294 CG GLU A 20 15.093 -1.370 -6.888 1.00 0.00 C ATOM 295 CD GLU A 20 15.995 -1.544 -8.112 1.00 0.00 C ATOM 296 OE1 GLU A 20 16.201 -2.676 -8.575 1.00 0.00 O ATOM 297 OE2 GLU A 20 16.488 -0.451 -8.587 1.00 0.00 O ATOM 0 H GLU A 20 11.295 -0.941 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 20 13.189 -1.310 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.297 -1.237 -8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.985 0.317 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 20 15.610 -0.780 -6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.884 -2.343 -6.444 1.00 0.00 H new ATOM 305 N ILE A 21 12.128 1.707 -6.080 1.00 0.00 N ATOM 306 CA ILE A 21 12.058 3.078 -5.604 1.00 0.00 C ATOM 307 C ILE A 21 11.425 3.100 -4.213 1.00 0.00 C ATOM 308 O ILE A 21 12.012 3.626 -3.267 1.00 0.00 O ATOM 309 CB ILE A 21 11.336 3.963 -6.622 1.00 0.00 C ATOM 310 CG1 ILE A 21 12.186 4.160 -7.880 1.00 0.00 C ATOM 311 CG2 ILE A 21 10.921 5.294 -5.996 1.00 0.00 C ATOM 312 CD1 ILE A 21 12.269 2.868 -8.694 1.00 0.00 C ATOM 0 H ILE A 21 11.575 1.517 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 21 13.059 3.497 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 21 10.422 3.454 -6.928 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.757 4.953 -8.493 1.00 0.00 H new ATOM 0 HG13 ILE A 21 13.189 4.482 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 21 10.410 5.903 -6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 21 10.250 5.108 -5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 21 11.807 5.821 -5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 21 12.878 3.036 -9.582 1.00 0.00 H new ATOM 0 HD12 ILE A 21 12.721 2.084 -8.087 1.00 0.00 H new ATOM 0 HD13 ILE A 21 11.267 2.562 -8.994 1.00 0.00 H new ATOM 324 N ILE A 22 10.236 2.522 -4.129 1.00 0.00 N ATOM 325 CA ILE A 22 9.516 2.468 -2.867 1.00 0.00 C ATOM 326 C ILE A 22 10.367 1.728 -1.832 1.00 0.00 C ATOM 327 O ILE A 22 10.318 2.043 -0.644 1.00 0.00 O ATOM 328 CB ILE A 22 8.127 1.860 -3.068 1.00 0.00 C ATOM 329 CG1 ILE A 22 7.463 1.555 -1.725 1.00 0.00 C ATOM 330 CG2 ILE A 22 8.193 0.625 -3.968 1.00 0.00 C ATOM 331 CD1 ILE A 22 7.344 2.820 -0.872 1.00 0.00 C ATOM 0 H ILE A 22 9.752 2.087 -4.914 1.00 0.00 H new ATOM 0 HA ILE A 22 9.346 3.473 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 22 7.503 2.595 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.473 1.131 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.045 0.805 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.192 0.213 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.595 0.905 -4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.839 -0.124 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.868 2.575 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.337 3.228 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.741 3.559 -1.400 1.00 0.00 H new ATOM 343 N ARG A 23 11.127 0.759 -2.320 1.00 0.00 N ATOM 344 CA ARG A 23 11.987 -0.027 -1.452 1.00 0.00 C ATOM 345 C ARG A 23 13.079 0.856 -0.844 1.00 0.00 C ATOM 346 O ARG A 23 13.239 0.899 0.375 1.00 0.00 O ATOM 347 CB ARG A 23 12.639 -1.178 -2.219 1.00 0.00 C ATOM 348 CG ARG A 23 13.718 -1.858 -1.374 1.00 0.00 C ATOM 349 CD ARG A 23 14.040 -3.253 -1.914 1.00 0.00 C ATOM 350 NE ARG A 23 14.393 -4.159 -0.798 1.00 0.00 N ATOM 351 CZ ARG A 23 15.635 -4.279 -0.283 1.00 0.00 C ATOM 352 NH1 ARG A 23 16.656 -3.551 -0.783 1.00 0.00 N ATOM 353 NH2 ARG A 23 15.837 -5.120 0.714 1.00 0.00 N ATOM 0 H ARG A 23 11.165 0.500 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 23 11.366 -0.441 -0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.880 -1.907 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.079 -0.801 -3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.621 -1.248 -1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.381 -1.933 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.182 -3.649 -2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.867 -3.196 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 23 13.651 -4.729 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.492 -2.905 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.592 -3.647 -0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.060 -5.668 1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.770 -5.222 1.114 1.00 0.00 H new ATOM 367 N ASP A 24 13.802 1.536 -1.722 1.00 0.00 N ATOM 368 CA ASP A 24 14.873 2.416 -1.287 1.00 0.00 C ATOM 369 C ASP A 24 14.276 3.610 -0.540 1.00 0.00 C ATOM 370 O ASP A 24 14.971 4.281 0.221 1.00 0.00 O ATOM 371 CB ASP A 24 15.665 2.952 -2.481 1.00 0.00 C ATOM 372 CG ASP A 24 16.979 2.222 -2.766 1.00 0.00 C ATOM 373 OD1 ASP A 24 16.987 1.120 -3.335 1.00 0.00 O ATOM 374 OD2 ASP A 24 18.041 2.839 -2.375 1.00 0.00 O ATOM 0 H ASP A 24 13.667 1.495 -2.732 1.00 0.00 H new ATOM 0 HA ASP A 24 15.538 1.843 -0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.036 2.896 -3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.882 4.006 -2.310 1.00 0.00 H new ATOM 380 N GLU A 25 12.994 3.839 -0.785 1.00 0.00 N ATOM 381 CA GLU A 25 12.296 4.941 -0.144 1.00 0.00 C ATOM 382 C GLU A 25 11.944 4.578 1.301 1.00 0.00 C ATOM 383 O GLU A 25 12.208 5.351 2.219 1.00 0.00 O ATOM 384 CB GLU A 25 11.043 5.328 -0.933 1.00 0.00 C ATOM 385 CG GLU A 25 11.231 6.674 -1.635 1.00 0.00 C ATOM 386 CD GLU A 25 11.718 7.740 -0.651 1.00 0.00 C ATOM 387 OE1 GLU A 25 11.140 7.895 0.435 1.00 0.00 O ATOM 388 OE2 GLU A 25 12.737 8.424 -1.050 1.00 0.00 O ATOM 0 H GLU A 25 12.421 3.281 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 25 12.959 5.806 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.821 4.557 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.187 5.381 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.950 6.568 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.289 6.990 -2.083 1.00 0.00 H new ATOM 396 N PHE A 26 11.353 3.403 1.454 1.00 0.00 N ATOM 397 CA PHE A 26 10.964 2.927 2.771 1.00 0.00 C ATOM 398 C PHE A 26 12.129 3.029 3.757 1.00 0.00 C ATOM 399 O PHE A 26 11.921 3.047 4.970 1.00 0.00 O ATOM 400 CB PHE A 26 10.568 1.458 2.617 1.00 0.00 C ATOM 401 CG PHE A 26 9.064 1.202 2.745 1.00 0.00 C ATOM 402 CD1 PHE A 26 8.479 1.179 3.972 1.00 0.00 C ATOM 403 CD2 PHE A 26 8.313 0.998 1.629 1.00 0.00 C ATOM 404 CE1 PHE A 26 7.084 0.942 4.089 1.00 0.00 C ATOM 405 CE2 PHE A 26 6.918 0.761 1.746 1.00 0.00 C ATOM 406 CZ PHE A 26 6.333 0.738 2.974 1.00 0.00 C ATOM 0 H PHE A 26 11.134 2.766 0.688 1.00 0.00 H new ATOM 0 HA PHE A 26 10.143 3.531 3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.905 1.101 1.644 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.092 0.870 3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.075 1.341 4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.778 1.016 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.619 0.924 5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.321 0.599 0.860 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.272 0.558 3.063 1.00 0.00 H new ATOM 416 N GLY A 27 13.329 3.092 3.201 1.00 0.00 N ATOM 417 CA GLY A 27 14.528 3.190 4.016 1.00 0.00 C ATOM 418 C GLY A 27 15.110 1.805 4.305 1.00 0.00 C ATOM 419 O GLY A 27 16.194 1.471 3.828 1.00 0.00 O ATOM 0 H GLY A 27 13.497 3.077 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.271 3.801 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.294 3.693 4.954 1.00 0.00 H new ATOM 423 N ASN A 28 14.365 1.036 5.085 1.00 0.00 N ATOM 424 CA ASN A 28 14.793 -0.306 5.443 1.00 0.00 C ATOM 425 C ASN A 28 14.635 -1.227 4.232 1.00 0.00 C ATOM 426 O ASN A 28 14.330 -0.766 3.132 1.00 0.00 O ATOM 427 CB ASN A 28 13.941 -0.871 6.581 1.00 0.00 C ATOM 428 CG ASN A 28 14.635 -0.683 7.931 1.00 0.00 C ATOM 429 OD1 ASN A 28 14.953 0.420 8.347 1.00 0.00 O ATOM 430 ND2 ASN A 28 14.852 -1.817 8.591 1.00 0.00 N ATOM 0 H ASN A 28 13.467 1.317 5.479 1.00 0.00 H new ATOM 0 HA ASN A 28 15.833 -0.254 5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.971 -0.375 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.754 -1.931 6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.310 -1.797 9.502 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.561 -2.707 8.186 1.00 0.00 H new ATOM 437 N ASP A 29 14.850 -2.512 4.473 1.00 0.00 N ATOM 438 CA ASP A 29 14.735 -3.501 3.416 1.00 0.00 C ATOM 439 C ASP A 29 13.306 -4.047 3.386 1.00 0.00 C ATOM 440 O ASP A 29 12.943 -4.795 2.480 1.00 0.00 O ATOM 441 CB ASP A 29 15.686 -4.676 3.656 1.00 0.00 C ATOM 442 CG ASP A 29 17.170 -4.356 3.466 1.00 0.00 C ATOM 443 OD1 ASP A 29 17.583 -3.189 3.513 1.00 0.00 O ATOM 444 OD2 ASP A 29 17.925 -5.382 3.258 1.00 0.00 O ATOM 0 H ASP A 29 15.103 -2.891 5.386 1.00 0.00 H new ATOM 0 HA ASP A 29 14.989 -3.018 2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.536 -5.044 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.415 -5.487 2.980 1.00 0.00 H new ATOM 450 N VAL A 30 12.535 -3.650 4.386 1.00 0.00 N ATOM 451 CA VAL A 30 11.153 -4.090 4.487 1.00 0.00 C ATOM 452 C VAL A 30 10.461 -3.894 3.136 1.00 0.00 C ATOM 453 O VAL A 30 10.037 -2.788 2.807 1.00 0.00 O ATOM 454 CB VAL A 30 10.452 -3.355 5.631 1.00 0.00 C ATOM 455 CG1 VAL A 30 10.695 -4.060 6.967 1.00 0.00 C ATOM 456 CG2 VAL A 30 10.893 -1.891 5.695 1.00 0.00 C ATOM 0 H VAL A 30 12.840 -3.028 5.135 1.00 0.00 H new ATOM 0 HA VAL A 30 11.106 -5.153 4.725 1.00 0.00 H new ATOM 0 HB VAL A 30 9.380 -3.373 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.186 -3.517 7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.308 -5.078 6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.765 -4.088 7.174 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.380 -1.392 6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.970 -1.842 5.857 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.644 -1.395 4.757 1.00 0.00 H new ATOM 466 N VAL A 31 10.367 -4.986 2.391 1.00 0.00 N ATOM 467 CA VAL A 31 9.734 -4.947 1.085 1.00 0.00 C ATOM 468 C VAL A 31 9.241 -6.349 0.722 1.00 0.00 C ATOM 469 O VAL A 31 9.934 -7.096 0.033 1.00 0.00 O ATOM 470 CB VAL A 31 10.701 -4.367 0.050 1.00 0.00 C ATOM 471 CG1 VAL A 31 10.254 -4.712 -1.371 1.00 0.00 C ATOM 472 CG2 VAL A 31 10.851 -2.856 0.228 1.00 0.00 C ATOM 0 H VAL A 31 10.719 -5.903 2.668 1.00 0.00 H new ATOM 0 HA VAL A 31 8.865 -4.289 1.101 1.00 0.00 H new ATOM 0 HB VAL A 31 11.679 -4.821 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.958 -4.288 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.223 -5.795 -1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.261 -4.299 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.543 -2.469 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.880 -2.377 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.237 -2.644 1.225 1.00 0.00 H new ATOM 482 N THR A 32 8.046 -6.664 1.201 1.00 0.00 N ATOM 483 CA THR A 32 7.451 -7.963 0.935 1.00 0.00 C ATOM 484 C THR A 32 6.192 -7.807 0.079 1.00 0.00 C ATOM 485 O THR A 32 5.122 -7.491 0.596 1.00 0.00 O ATOM 486 CB THR A 32 7.192 -8.648 2.278 1.00 0.00 C ATOM 487 OG1 THR A 32 6.268 -7.785 2.935 1.00 0.00 O ATOM 488 CG2 THR A 32 8.422 -8.638 3.186 1.00 0.00 C ATOM 0 H THR A 32 7.474 -6.042 1.772 1.00 0.00 H new ATOM 0 HA THR A 32 8.124 -8.596 0.356 1.00 0.00 H new ATOM 0 HB THR A 32 6.876 -9.677 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.721 -6.954 3.190 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.184 -9.136 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.241 -9.162 2.694 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.718 -7.608 3.386 1.00 0.00 H new ATOM 496 N LEU A 33 6.363 -8.040 -1.214 1.00 0.00 N ATOM 497 CA LEU A 33 5.253 -7.930 -2.146 1.00 0.00 C ATOM 498 C LEU A 33 4.920 -9.318 -2.700 1.00 0.00 C ATOM 499 O LEU A 33 5.725 -10.240 -2.598 1.00 0.00 O ATOM 500 CB LEU A 33 5.562 -6.894 -3.228 1.00 0.00 C ATOM 501 CG LEU A 33 7.043 -6.587 -3.459 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.811 -7.850 -3.852 1.00 0.00 C ATOM 503 CD2 LEU A 33 7.217 -5.467 -4.487 1.00 0.00 C ATOM 0 H LEU A 33 7.252 -8.304 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 33 4.361 -7.567 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.132 -7.240 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.055 -5.965 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 33 7.468 -6.232 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.861 -7.603 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.728 -8.589 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.392 -8.259 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.279 -5.269 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.771 -5.770 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.725 -4.563 -4.127 1.00 0.00 H new ATOM 515 N HIS A 34 3.729 -9.419 -3.275 1.00 0.00 N ATOM 516 CA HIS A 34 3.278 -10.679 -3.842 1.00 0.00 C ATOM 517 C HIS A 34 4.450 -11.376 -4.539 1.00 0.00 C ATOM 518 O HIS A 34 4.506 -12.604 -4.583 1.00 0.00 O ATOM 519 CB HIS A 34 2.085 -10.457 -4.773 1.00 0.00 C ATOM 520 CG HIS A 34 2.466 -10.064 -6.180 1.00 0.00 C ATOM 521 ND1 HIS A 34 3.396 -9.078 -6.456 1.00 0.00 N ATOM 522 CD2 HIS A 34 2.035 -10.538 -7.385 1.00 0.00 C ATOM 523 CE1 HIS A 34 3.510 -8.969 -7.773 1.00 0.00 C ATOM 524 NE2 HIS A 34 2.666 -9.873 -8.346 1.00 0.00 N ATOM 0 H HIS A 34 3.064 -8.650 -3.360 1.00 0.00 H new ATOM 0 HA HIS A 34 2.929 -11.337 -3.046 1.00 0.00 H new ATOM 0 HB2 HIS A 34 1.492 -11.371 -4.810 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.448 -9.680 -4.350 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.305 -11.320 -7.532 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.158 -8.284 -8.299 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.540 -10.015 -9.348 1.00 0.00 H new ATOM 533 N ASP A 35 5.356 -10.563 -5.060 1.00 0.00 N ATOM 534 CA ASP A 35 6.523 -11.087 -5.752 1.00 0.00 C ATOM 535 C ASP A 35 7.036 -12.323 -5.011 1.00 0.00 C ATOM 536 O ASP A 35 7.583 -13.236 -5.626 1.00 0.00 O ATOM 537 CB ASP A 35 7.651 -10.054 -5.785 1.00 0.00 C ATOM 538 CG ASP A 35 8.656 -10.233 -6.925 1.00 0.00 C ATOM 539 OD1 ASP A 35 9.093 -11.355 -7.222 1.00 0.00 O ATOM 540 OD2 ASP A 35 8.996 -9.145 -7.529 1.00 0.00 O ATOM 0 H ASP A 35 5.307 -9.545 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 35 6.229 -11.334 -6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.211 -9.060 -5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.188 -10.094 -4.837 1.00 0.00 H new ATOM 546 N VAL A 36 6.839 -12.312 -3.700 1.00 0.00 N ATOM 547 CA VAL A 36 7.274 -13.422 -2.870 1.00 0.00 C ATOM 548 C VAL A 36 6.229 -14.539 -2.928 1.00 0.00 C ATOM 549 O VAL A 36 5.764 -15.013 -1.893 1.00 0.00 O ATOM 550 CB VAL A 36 7.549 -12.935 -1.447 1.00 0.00 C ATOM 551 CG1 VAL A 36 8.550 -11.777 -1.446 1.00 0.00 C ATOM 552 CG2 VAL A 36 6.250 -12.535 -0.743 1.00 0.00 C ATOM 0 H VAL A 36 6.384 -11.552 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 36 8.211 -13.834 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 36 7.992 -13.762 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.727 -11.450 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.489 -12.108 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.147 -10.947 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.474 -12.193 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.767 -11.732 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.583 -13.395 -0.695 1.00 0.00 H new ATOM 562 N SER A 37 5.890 -14.925 -4.150 1.00 0.00 N ATOM 563 CA SER A 37 4.908 -15.976 -4.356 1.00 0.00 C ATOM 564 C SER A 37 5.428 -17.297 -3.783 1.00 0.00 C ATOM 565 O SER A 37 4.677 -18.263 -3.664 1.00 0.00 O ATOM 566 CB SER A 37 4.576 -16.135 -5.841 1.00 0.00 C ATOM 567 OG SER A 37 3.463 -16.999 -6.050 1.00 0.00 O ATOM 0 H SER A 37 6.278 -14.529 -5.006 1.00 0.00 H new ATOM 0 HA SER A 37 3.992 -15.697 -3.835 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.361 -15.157 -6.271 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.445 -16.530 -6.366 1.00 0.00 H new ATOM 0 HG SER A 37 3.425 -17.663 -5.330 1.00 0.00 H new ATOM 573 N GLN A 38 6.709 -17.296 -3.447 1.00 0.00 N ATOM 574 CA GLN A 38 7.338 -18.482 -2.891 1.00 0.00 C ATOM 575 C GLN A 38 6.828 -18.736 -1.471 1.00 0.00 C ATOM 576 O GLN A 38 7.149 -19.757 -0.865 1.00 0.00 O ATOM 577 CB GLN A 38 8.863 -18.355 -2.911 1.00 0.00 C ATOM 578 CG GLN A 38 9.341 -17.718 -4.218 1.00 0.00 C ATOM 579 CD GLN A 38 10.172 -16.462 -3.942 1.00 0.00 C ATOM 580 OE1 GLN A 38 11.209 -16.228 -4.540 1.00 0.00 O ATOM 581 NE2 GLN A 38 9.659 -15.670 -3.004 1.00 0.00 N ATOM 0 H GLN A 38 7.329 -16.493 -3.549 1.00 0.00 H new ATOM 0 HA GLN A 38 7.070 -19.337 -3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.193 -17.751 -2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.315 -19.340 -2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.937 -18.437 -4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.482 -17.461 -4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.786 -15.926 -2.542 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.139 -14.807 -2.747 1.00 0.00 H new ATOM 590 N ALA A 39 6.040 -17.790 -0.980 1.00 0.00 N ATOM 591 CA ALA A 39 5.484 -17.898 0.357 1.00 0.00 C ATOM 592 C ALA A 39 3.978 -17.626 0.302 1.00 0.00 C ATOM 593 O ALA A 39 3.548 -16.600 -0.223 1.00 0.00 O ATOM 594 CB ALA A 39 6.216 -16.937 1.295 1.00 0.00 C ATOM 0 H ALA A 39 5.774 -16.945 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 39 5.623 -18.905 0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.798 -17.019 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.276 -17.191 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.097 -15.915 0.934 1.00 0.00 H new ATOM 600 N GLU A 40 3.220 -18.563 0.851 1.00 0.00 N ATOM 601 CA GLU A 40 1.772 -18.437 0.870 1.00 0.00 C ATOM 602 C GLU A 40 1.363 -17.109 1.509 1.00 0.00 C ATOM 603 O GLU A 40 2.205 -16.242 1.740 1.00 0.00 O ATOM 604 CB GLU A 40 1.130 -19.617 1.601 1.00 0.00 C ATOM 605 CG GLU A 40 -0.076 -20.152 0.823 1.00 0.00 C ATOM 606 CD GLU A 40 -1.154 -20.673 1.777 1.00 0.00 C ATOM 607 OE1 GLU A 40 -1.174 -20.295 2.956 1.00 0.00 O ATOM 608 OE2 GLU A 40 -1.992 -21.500 1.249 1.00 0.00 O ATOM 0 H GLU A 40 3.580 -19.412 1.286 1.00 0.00 H new ATOM 0 HA GLU A 40 1.412 -18.449 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.865 -20.412 1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.816 -19.305 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.490 -19.361 0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.243 -20.953 0.156 1.00 0.00 H new ATOM 616 N VAL A 41 0.071 -16.990 1.776 1.00 0.00 N ATOM 617 CA VAL A 41 -0.460 -15.781 2.384 1.00 0.00 C ATOM 618 C VAL A 41 0.103 -15.638 3.800 1.00 0.00 C ATOM 619 O VAL A 41 -0.041 -14.588 4.426 1.00 0.00 O ATOM 620 CB VAL A 41 -1.989 -15.806 2.349 1.00 0.00 C ATOM 621 CG1 VAL A 41 -2.534 -17.059 3.038 1.00 0.00 C ATOM 622 CG2 VAL A 41 -2.573 -14.539 2.974 1.00 0.00 C ATOM 0 H VAL A 41 -0.624 -17.711 1.583 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.149 -14.902 1.820 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.299 -15.837 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.623 -17.051 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.159 -17.947 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.209 -17.073 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.661 -14.583 2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.249 -14.463 4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.226 -13.667 2.420 1.00 0.00 H new ATOM 632 N THR A 42 0.733 -16.707 4.263 1.00 0.00 N ATOM 633 CA THR A 42 1.318 -16.712 5.593 1.00 0.00 C ATOM 634 C THR A 42 2.344 -15.585 5.729 1.00 0.00 C ATOM 635 O THR A 42 2.591 -15.096 6.831 1.00 0.00 O ATOM 636 CB THR A 42 1.907 -18.102 5.845 1.00 0.00 C ATOM 637 OG1 THR A 42 2.551 -17.982 7.110 1.00 0.00 O ATOM 638 CG2 THR A 42 3.043 -18.441 4.878 1.00 0.00 C ATOM 0 H THR A 42 0.851 -17.575 3.741 1.00 0.00 H new ATOM 0 HA THR A 42 0.565 -16.518 6.357 1.00 0.00 H new ATOM 0 HB THR A 42 1.120 -18.851 5.756 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.959 -18.839 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.425 -19.437 5.100 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.669 -18.416 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.845 -17.712 4.989 1.00 0.00 H new ATOM 646 N ASP A 43 2.912 -15.205 4.595 1.00 0.00 N ATOM 647 CA ASP A 43 3.904 -14.144 4.574 1.00 0.00 C ATOM 648 C ASP A 43 3.312 -12.884 5.206 1.00 0.00 C ATOM 649 O ASP A 43 3.889 -12.317 6.132 1.00 0.00 O ATOM 650 CB ASP A 43 4.318 -13.806 3.140 1.00 0.00 C ATOM 651 CG ASP A 43 5.774 -14.128 2.794 1.00 0.00 C ATOM 652 OD1 ASP A 43 6.379 -15.044 3.370 1.00 0.00 O ATOM 653 OD2 ASP A 43 6.294 -13.384 1.879 1.00 0.00 O ATOM 0 H ASP A 43 2.704 -15.613 3.683 1.00 0.00 H new ATOM 0 HA ASP A 43 4.777 -14.487 5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.669 -14.348 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.146 -12.743 2.969 1.00 0.00 H new ATOM 659 N LEU A 44 2.164 -12.481 4.679 1.00 0.00 N ATOM 660 CA LEU A 44 1.486 -11.298 5.179 1.00 0.00 C ATOM 661 C LEU A 44 0.797 -11.631 6.504 1.00 0.00 C ATOM 662 O LEU A 44 0.517 -10.740 7.304 1.00 0.00 O ATOM 663 CB LEU A 44 0.538 -10.734 4.118 1.00 0.00 C ATOM 664 CG LEU A 44 -0.596 -11.659 3.672 1.00 0.00 C ATOM 665 CD1 LEU A 44 -1.699 -11.721 4.729 1.00 0.00 C ATOM 666 CD2 LEU A 44 -1.137 -11.242 2.302 1.00 0.00 C ATOM 0 H LEU A 44 1.687 -12.953 3.911 1.00 0.00 H new ATOM 0 HA LEU A 44 2.206 -10.506 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.099 -9.814 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.126 -10.464 3.241 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.194 -12.667 3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.493 -12.385 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.286 -12.100 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.105 -10.722 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.942 -11.916 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.519 -10.222 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.336 -11.291 1.564 1.00 0.00 H new ATOM 678 N ASN A 45 0.541 -12.917 6.694 1.00 0.00 N ATOM 679 CA ASN A 45 -0.113 -13.380 7.906 1.00 0.00 C ATOM 680 C ASN A 45 0.784 -13.080 9.109 1.00 0.00 C ATOM 681 O ASN A 45 0.291 -12.849 10.213 1.00 0.00 O ATOM 682 CB ASN A 45 -0.354 -14.891 7.860 1.00 0.00 C ATOM 683 CG ASN A 45 -1.292 -15.330 8.986 1.00 0.00 C ATOM 684 OD1 ASN A 45 -2.383 -14.815 9.156 1.00 0.00 O ATOM 685 ND2 ASN A 45 -0.806 -16.311 9.743 1.00 0.00 N ATOM 0 H ASN A 45 0.775 -13.653 6.028 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.070 -12.866 7.991 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.783 -15.165 6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.596 -15.417 7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.356 -16.676 10.521 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.117 -16.698 9.546 1.00 0.00 H new ATOM 692 N ASP A 46 2.084 -13.093 8.855 1.00 0.00 N ATOM 693 CA ASP A 46 3.054 -12.828 9.904 1.00 0.00 C ATOM 694 C ASP A 46 3.214 -11.315 10.073 1.00 0.00 C ATOM 695 O ASP A 46 3.308 -10.819 11.194 1.00 0.00 O ATOM 696 CB ASP A 46 4.423 -13.411 9.550 1.00 0.00 C ATOM 697 CG ASP A 46 4.525 -14.933 9.656 1.00 0.00 C ATOM 698 OD1 ASP A 46 3.508 -15.644 9.640 1.00 0.00 O ATOM 699 OD2 ASP A 46 5.726 -15.393 9.761 1.00 0.00 O ATOM 0 H ASP A 46 2.488 -13.283 7.938 1.00 0.00 H new ATOM 0 HA ASP A 46 2.692 -13.291 10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.675 -13.115 8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.171 -12.965 10.205 1.00 0.00 H new ATOM 705 N TYR A 47 3.237 -10.625 8.942 1.00 0.00 N ATOM 706 CA TYR A 47 3.384 -9.180 8.951 1.00 0.00 C ATOM 707 C TYR A 47 2.020 -8.491 8.899 1.00 0.00 C ATOM 708 O TYR A 47 1.291 -8.618 7.916 1.00 0.00 O ATOM 709 CB TYR A 47 4.168 -8.827 7.684 1.00 0.00 C ATOM 710 CG TYR A 47 5.052 -9.962 7.164 1.00 0.00 C ATOM 711 CD1 TYR A 47 5.704 -10.793 8.053 1.00 0.00 C ATOM 712 CD2 TYR A 47 5.200 -10.155 5.807 1.00 0.00 C ATOM 713 CE1 TYR A 47 6.536 -11.860 7.565 1.00 0.00 C ATOM 714 CE2 TYR A 47 6.033 -11.223 5.317 1.00 0.00 C ATOM 715 CZ TYR A 47 6.660 -12.022 6.221 1.00 0.00 C ATOM 716 OH TYR A 47 7.447 -13.031 5.759 1.00 0.00 O ATOM 0 H TYR A 47 3.156 -11.040 8.014 1.00 0.00 H new ATOM 0 HA TYR A 47 3.888 -8.851 9.860 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.465 -8.540 6.902 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.793 -7.957 7.886 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.589 -10.642 9.116 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.691 -9.505 5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.050 -12.517 8.250 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.157 -11.385 4.256 1.00 0.00 H new ATOM 0 HH TYR A 47 7.441 -13.028 4.779 1.00 0.00 H new ATOM 726 N GLN A 48 1.713 -7.775 9.972 1.00 0.00 N ATOM 727 CA GLN A 48 0.448 -7.065 10.061 1.00 0.00 C ATOM 728 C GLN A 48 0.564 -5.690 9.402 1.00 0.00 C ATOM 729 O GLN A 48 0.084 -4.694 9.943 1.00 0.00 O ATOM 730 CB GLN A 48 -0.008 -6.938 11.517 1.00 0.00 C ATOM 731 CG GLN A 48 -0.844 -8.148 11.936 1.00 0.00 C ATOM 732 CD GLN A 48 -0.448 -8.630 13.335 1.00 0.00 C ATOM 733 OE1 GLN A 48 -1.269 -8.766 14.228 1.00 0.00 O ATOM 734 NE2 GLN A 48 0.850 -8.878 13.474 1.00 0.00 N ATOM 0 H GLN A 48 2.318 -7.672 10.786 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.308 -7.640 9.526 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.862 -6.849 12.168 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.593 -6.027 11.641 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.902 -7.886 11.924 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.707 -8.956 11.217 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.482 -8.743 12.685 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.214 -9.203 14.370 1.00 0.00 H new ATOM 743 N TYR A 49 1.203 -5.678 8.241 1.00 0.00 N ATOM 744 CA TYR A 49 1.387 -4.441 7.501 1.00 0.00 C ATOM 745 C TYR A 49 1.549 -4.717 6.005 1.00 0.00 C ATOM 746 O TYR A 49 2.545 -5.302 5.582 1.00 0.00 O ATOM 747 CB TYR A 49 2.677 -3.817 8.035 1.00 0.00 C ATOM 748 CG TYR A 49 3.093 -4.334 9.414 1.00 0.00 C ATOM 749 CD1 TYR A 49 3.887 -5.456 9.520 1.00 0.00 C ATOM 750 CD2 TYR A 49 2.675 -3.675 10.553 1.00 0.00 C ATOM 751 CE1 TYR A 49 4.279 -5.943 10.817 1.00 0.00 C ATOM 752 CE2 TYR A 49 3.065 -4.161 11.850 1.00 0.00 C ATOM 753 CZ TYR A 49 3.850 -5.272 11.919 1.00 0.00 C ATOM 754 OH TYR A 49 4.219 -5.730 13.144 1.00 0.00 O ATOM 0 H TYR A 49 1.600 -6.505 7.795 1.00 0.00 H new ATOM 0 HA TYR A 49 0.524 -3.787 7.626 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.483 -4.011 7.327 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.551 -2.735 8.086 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.215 -5.970 8.629 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.055 -2.794 10.470 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.900 -6.822 10.912 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.743 -3.656 12.749 1.00 0.00 H new ATOM 0 HH TYR A 49 3.840 -5.151 13.838 1.00 0.00 H new ATOM 764 N LEU A 50 0.555 -4.281 5.243 1.00 0.00 N ATOM 765 CA LEU A 50 0.575 -4.474 3.804 1.00 0.00 C ATOM 766 C LEU A 50 0.054 -3.209 3.118 1.00 0.00 C ATOM 767 O LEU A 50 -0.543 -2.350 3.763 1.00 0.00 O ATOM 768 CB LEU A 50 -0.190 -5.742 3.422 1.00 0.00 C ATOM 769 CG LEU A 50 0.441 -7.064 3.862 1.00 0.00 C ATOM 770 CD1 LEU A 50 1.853 -7.213 3.295 1.00 0.00 C ATOM 771 CD2 LEU A 50 0.417 -7.203 5.385 1.00 0.00 C ATOM 0 H LEU A 50 -0.269 -3.795 5.597 1.00 0.00 H new ATOM 0 HA LEU A 50 1.595 -4.630 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.191 -5.681 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.305 -5.760 2.338 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.157 -7.880 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.279 -8.161 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.812 -7.191 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.477 -6.393 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.872 -8.152 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.977 -6.382 5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.614 -7.174 5.737 1.00 0.00 H new ATOM 783 N ILE A 51 0.298 -3.137 1.818 1.00 0.00 N ATOM 784 CA ILE A 51 -0.141 -1.993 1.036 1.00 0.00 C ATOM 785 C ILE A 51 -1.052 -2.473 -0.095 1.00 0.00 C ATOM 786 O ILE A 51 -0.785 -3.499 -0.720 1.00 0.00 O ATOM 787 CB ILE A 51 1.062 -1.179 0.555 1.00 0.00 C ATOM 788 CG1 ILE A 51 1.862 -0.633 1.737 1.00 0.00 C ATOM 789 CG2 ILE A 51 0.625 -0.070 -0.404 1.00 0.00 C ATOM 790 CD1 ILE A 51 3.194 -1.372 1.885 1.00 0.00 C ATOM 0 H ILE A 51 0.794 -3.852 1.286 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.730 -1.313 1.652 1.00 0.00 H new ATOM 0 HB ILE A 51 1.724 -1.843 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.046 0.432 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.281 -0.737 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.499 0.494 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.133 -0.511 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.068 0.599 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.744 -0.964 2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.005 -2.433 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.783 -1.246 0.976 1.00 0.00 H new ATOM 802 N ILE A 52 -2.110 -1.710 -0.325 1.00 0.00 N ATOM 803 CA ILE A 52 -3.062 -2.044 -1.370 1.00 0.00 C ATOM 804 C ILE A 52 -3.317 -0.809 -2.238 1.00 0.00 C ATOM 805 O ILE A 52 -2.657 0.216 -2.073 1.00 0.00 O ATOM 806 CB ILE A 52 -4.334 -2.642 -0.765 1.00 0.00 C ATOM 807 CG1 ILE A 52 -4.883 -1.749 0.349 1.00 0.00 C ATOM 808 CG2 ILE A 52 -4.092 -4.074 -0.285 1.00 0.00 C ATOM 809 CD1 ILE A 52 -6.031 -2.439 1.090 1.00 0.00 C ATOM 0 H ILE A 52 -2.329 -0.860 0.195 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.653 -2.815 -2.024 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.094 -2.688 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.086 -1.506 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.233 -0.807 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.012 -4.475 0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.782 -4.692 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.310 -4.076 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.403 -1.783 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.837 -2.658 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.672 -3.368 1.532 1.00 0.00 H new ATOM 1105 N GLU A 72 -5.686 -13.943 -0.057 1.00 0.00 N ATOM 1106 CA GLU A 72 -4.736 -12.886 0.245 1.00 0.00 C ATOM 1107 C GLU A 72 -4.995 -12.322 1.643 1.00 0.00 C ATOM 1108 O GLU A 72 -5.643 -12.967 2.465 1.00 0.00 O ATOM 1109 CB GLU A 72 -4.791 -11.780 -0.812 1.00 0.00 C ATOM 1110 CG GLU A 72 -6.108 -11.007 -0.727 1.00 0.00 C ATOM 1111 CD GLU A 72 -6.717 -10.806 -2.115 1.00 0.00 C ATOM 1112 OE1 GLU A 72 -6.113 -10.135 -2.966 1.00 0.00 O ATOM 1113 OE2 GLU A 72 -7.860 -11.375 -2.299 1.00 0.00 O ATOM 0 HA GLU A 72 -3.732 -13.311 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.954 -11.096 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.684 -12.216 -1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.811 -11.548 -0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.935 -10.038 -0.258 1.00 0.00 H new ATOM 1121 N LEU A 73 -4.474 -11.125 1.869 1.00 0.00 N ATOM 1122 CA LEU A 73 -4.640 -10.467 3.155 1.00 0.00 C ATOM 1123 C LEU A 73 -6.129 -10.406 3.501 1.00 0.00 C ATOM 1124 O LEU A 73 -6.495 -10.356 4.674 1.00 0.00 O ATOM 1125 CB LEU A 73 -3.954 -9.100 3.149 1.00 0.00 C ATOM 1126 CG LEU A 73 -4.808 -7.922 2.679 1.00 0.00 C ATOM 1127 CD1 LEU A 73 -5.321 -8.148 1.255 1.00 0.00 C ATOM 1128 CD2 LEU A 73 -5.949 -7.645 3.661 1.00 0.00 C ATOM 0 H LEU A 73 -3.937 -10.593 1.184 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.151 -11.040 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.603 -8.888 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.072 -9.161 2.511 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.178 -7.033 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.925 -7.295 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.475 -8.258 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.929 -9.052 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.541 -6.803 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.584 -8.527 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.536 -7.407 4.641 1.00 0.00 H new ATOM 1140 N ASP A 74 -6.948 -10.413 2.460 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.390 -10.361 2.641 1.00 0.00 C ATOM 1142 C ASP A 74 -8.879 -11.702 3.189 1.00 0.00 C ATOM 1143 O ASP A 74 -9.955 -11.779 3.779 1.00 0.00 O ATOM 1144 CB ASP A 74 -9.101 -10.104 1.311 1.00 0.00 C ATOM 1145 CG ASP A 74 -10.142 -8.982 1.339 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -9.984 -7.948 0.674 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -11.163 -9.206 2.095 1.00 0.00 O ATOM 0 H ASP A 74 -6.641 -10.454 1.488 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.615 -9.550 3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.352 -9.865 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.590 -11.025 0.994 1.00 0.00 H new ATOM 1153 N ASP A 75 -8.066 -12.726 2.974 1.00 0.00 N ATOM 1154 CA ASP A 75 -8.403 -14.059 3.441 1.00 0.00 C ATOM 1155 C ASP A 75 -8.084 -14.169 4.934 1.00 0.00 C ATOM 1156 O ASP A 75 -8.971 -14.436 5.743 1.00 0.00 O ATOM 1157 CB ASP A 75 -7.585 -15.124 2.705 1.00 0.00 C ATOM 1158 CG ASP A 75 -8.295 -16.467 2.515 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -9.060 -16.655 1.560 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -8.028 -17.354 3.414 1.00 0.00 O ATOM 0 H ASP A 75 -7.175 -12.659 2.482 1.00 0.00 H new ATOM 0 HA ASP A 75 -9.464 -14.223 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.307 -14.735 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.659 -15.294 3.255 1.00 0.00 H new ATOM 1166 N VAL A 76 -6.816 -13.954 5.253 1.00 0.00 N ATOM 1167 CA VAL A 76 -6.370 -14.023 6.634 1.00 0.00 C ATOM 1168 C VAL A 76 -7.360 -13.268 7.523 1.00 0.00 C ATOM 1169 O VAL A 76 -8.228 -12.553 7.023 1.00 0.00 O ATOM 1170 CB VAL A 76 -4.940 -13.493 6.748 1.00 0.00 C ATOM 1171 CG1 VAL A 76 -3.944 -14.460 6.104 1.00 0.00 C ATOM 1172 CG2 VAL A 76 -4.821 -12.097 6.137 1.00 0.00 C ATOM 0 H VAL A 76 -6.084 -13.732 4.579 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.348 -15.057 6.978 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.696 -13.416 7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.935 -14.059 6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.999 -15.426 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.188 -14.584 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.794 -11.745 6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.095 -12.137 5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.489 -11.413 6.660 1.00 0.00 H new ATOM 1182 N ASP A 77 -7.197 -13.452 8.825 1.00 0.00 N ATOM 1183 CA ASP A 77 -8.066 -12.797 9.788 1.00 0.00 C ATOM 1184 C ASP A 77 -7.338 -11.592 10.388 1.00 0.00 C ATOM 1185 O ASP A 77 -7.132 -11.527 11.599 1.00 0.00 O ATOM 1186 CB ASP A 77 -8.434 -13.744 10.932 1.00 0.00 C ATOM 1187 CG ASP A 77 -9.675 -14.605 10.684 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -10.813 -14.116 10.741 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -9.435 -15.844 10.418 1.00 0.00 O ATOM 0 H ASP A 77 -6.476 -14.045 9.236 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.974 -12.490 9.268 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.587 -14.402 11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.594 -13.154 11.835 1.00 0.00 H new ATOM 1195 N PHE A 78 -6.967 -10.669 9.514 1.00 0.00 N ATOM 1196 CA PHE A 78 -6.266 -9.471 9.941 1.00 0.00 C ATOM 1197 C PHE A 78 -7.126 -8.645 10.900 1.00 0.00 C ATOM 1198 O PHE A 78 -8.232 -8.235 10.551 1.00 0.00 O ATOM 1199 CB PHE A 78 -5.986 -8.643 8.686 1.00 0.00 C ATOM 1200 CG PHE A 78 -4.613 -8.905 8.062 1.00 0.00 C ATOM 1201 CD1 PHE A 78 -4.026 -10.124 8.198 1.00 0.00 C ATOM 1202 CD2 PHE A 78 -3.981 -7.918 7.371 1.00 0.00 C ATOM 1203 CE1 PHE A 78 -2.752 -10.367 7.619 1.00 0.00 C ATOM 1204 CE2 PHE A 78 -2.707 -8.161 6.792 1.00 0.00 C ATOM 1205 CZ PHE A 78 -2.120 -9.381 6.927 1.00 0.00 C ATOM 0 H PHE A 78 -7.139 -10.727 8.510 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.348 -9.744 10.461 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.757 -8.853 7.945 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.064 -7.585 8.936 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.528 -10.907 8.746 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.448 -6.950 7.263 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.285 -11.335 7.728 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.204 -7.377 6.245 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.152 -9.567 6.485 1.00 0.00 H new ATOM 1215 N ASN A 79 -6.585 -8.424 12.090 1.00 0.00 N ATOM 1216 CA ASN A 79 -7.288 -7.654 13.102 1.00 0.00 C ATOM 1217 C ASN A 79 -6.302 -6.715 13.798 1.00 0.00 C ATOM 1218 O ASN A 79 -5.616 -7.115 14.738 1.00 0.00 O ATOM 1219 CB ASN A 79 -7.901 -8.569 14.163 1.00 0.00 C ATOM 1220 CG ASN A 79 -9.383 -8.818 13.884 1.00 0.00 C ATOM 1221 OD1 ASN A 79 -10.255 -8.490 14.673 1.00 0.00 O ATOM 1222 ND2 ASN A 79 -9.621 -9.415 12.720 1.00 0.00 N ATOM 0 H ASN A 79 -5.667 -8.765 12.376 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.082 -7.093 12.609 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.367 -9.519 14.182 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.784 -8.118 15.148 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.579 -9.625 12.441 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.845 -9.663 12.106 1.00 0.00 H new ATOM 1229 N GLY A 80 -6.262 -5.483 13.311 1.00 0.00 N ATOM 1230 CA GLY A 80 -5.371 -4.484 13.876 1.00 0.00 C ATOM 1231 C GLY A 80 -4.039 -4.449 13.125 1.00 0.00 C ATOM 1232 O GLY A 80 -2.995 -4.768 13.693 1.00 0.00 O ATOM 0 H GLY A 80 -6.832 -5.154 12.532 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.844 -3.503 13.831 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.193 -4.704 14.929 1.00 0.00 H new ATOM 1236 N LYS A 81 -4.118 -4.061 11.861 1.00 0.00 N ATOM 1237 CA LYS A 81 -2.932 -3.983 11.026 1.00 0.00 C ATOM 1238 C LYS A 81 -2.934 -2.654 10.268 1.00 0.00 C ATOM 1239 O LYS A 81 -3.926 -1.927 10.287 1.00 0.00 O ATOM 1240 CB LYS A 81 -2.831 -5.209 10.119 1.00 0.00 C ATOM 1241 CG LYS A 81 -4.140 -5.439 9.361 1.00 0.00 C ATOM 1242 CD LYS A 81 -4.141 -4.692 8.026 1.00 0.00 C ATOM 1243 CE LYS A 81 -2.957 -5.123 7.158 1.00 0.00 C ATOM 1244 NZ LYS A 81 -3.419 -5.518 5.808 1.00 0.00 N ATOM 0 H LYS A 81 -4.986 -3.797 11.395 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.032 -3.998 11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.014 -5.075 9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.593 -6.089 10.716 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.279 -6.506 9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.980 -5.104 9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.074 -4.886 7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.093 -3.618 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.240 -4.306 7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.438 -5.957 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.731 -5.197 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.508 -6.553 5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.343 -5.082 5.616 1.00 0.00 H new ATOM 1258 N LEU A 82 -1.813 -2.378 9.617 1.00 0.00 N ATOM 1259 CA LEU A 82 -1.675 -1.149 8.852 1.00 0.00 C ATOM 1260 C LEU A 82 -1.838 -1.460 7.364 1.00 0.00 C ATOM 1261 O LEU A 82 -1.227 -2.397 6.851 1.00 0.00 O ATOM 1262 CB LEU A 82 -0.358 -0.452 9.195 1.00 0.00 C ATOM 1263 CG LEU A 82 0.916 -1.151 8.716 1.00 0.00 C ATOM 1264 CD1 LEU A 82 1.032 -1.098 7.192 1.00 0.00 C ATOM 1265 CD2 LEU A 82 2.152 -0.570 9.406 1.00 0.00 C ATOM 0 H LEU A 82 -0.992 -2.984 9.603 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.461 -0.443 9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.380 0.552 8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.301 -0.339 10.278 1.00 0.00 H new ATOM 0 HG LEU A 82 0.854 -2.202 8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.946 -1.602 6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.172 -1.596 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.061 -0.059 6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.044 -1.084 9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.230 0.493 9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.064 -0.705 10.484 1.00 0.00 H new ATOM 1277 N VAL A 83 -2.666 -0.657 6.711 1.00 0.00 N ATOM 1278 CA VAL A 83 -2.916 -0.835 5.291 1.00 0.00 C ATOM 1279 C VAL A 83 -2.697 0.495 4.568 1.00 0.00 C ATOM 1280 O VAL A 83 -3.385 1.478 4.843 1.00 0.00 O ATOM 1281 CB VAL A 83 -4.319 -1.407 5.076 1.00 0.00 C ATOM 1282 CG1 VAL A 83 -4.282 -2.934 5.000 1.00 0.00 C ATOM 1283 CG2 VAL A 83 -5.278 -0.936 6.171 1.00 0.00 C ATOM 0 H VAL A 83 -3.172 0.118 7.139 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.216 -1.555 4.867 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.691 -1.032 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.292 -3.315 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.648 -3.242 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.880 -3.335 5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.268 -1.357 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.911 -1.267 7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.339 0.152 6.158 1.00 0.00 H new ATOM 1293 N ALA A 84 -1.733 0.485 3.658 1.00 0.00 N ATOM 1294 CA ALA A 84 -1.413 1.680 2.894 1.00 0.00 C ATOM 1295 C ALA A 84 -2.029 1.567 1.498 1.00 0.00 C ATOM 1296 O ALA A 84 -1.631 0.713 0.707 1.00 0.00 O ATOM 1297 CB ALA A 84 0.105 1.864 2.848 1.00 0.00 C ATOM 0 H ALA A 84 -1.164 -0.331 3.433 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.835 2.565 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.346 2.760 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.490 1.968 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.562 0.996 2.373 1.00 0.00 H new ATOM 1303 N TYR A 85 -2.990 2.441 1.239 1.00 0.00 N ATOM 1304 CA TYR A 85 -3.665 2.451 -0.049 1.00 0.00 C ATOM 1305 C TYR A 85 -3.059 3.504 -0.979 1.00 0.00 C ATOM 1306 O TYR A 85 -2.758 4.616 -0.550 1.00 0.00 O ATOM 1307 CB TYR A 85 -5.121 2.821 0.241 1.00 0.00 C ATOM 1308 CG TYR A 85 -6.136 1.792 -0.258 1.00 0.00 C ATOM 1309 CD1 TYR A 85 -6.415 1.695 -1.606 1.00 0.00 C ATOM 1310 CD2 TYR A 85 -6.774 0.959 0.640 1.00 0.00 C ATOM 1311 CE1 TYR A 85 -7.371 0.726 -2.075 1.00 0.00 C ATOM 1312 CE2 TYR A 85 -7.731 -0.009 0.171 1.00 0.00 C ATOM 1313 CZ TYR A 85 -7.982 -0.079 -1.164 1.00 0.00 C ATOM 1314 OH TYR A 85 -8.885 -0.993 -1.608 1.00 0.00 O ATOM 0 H TYR A 85 -3.318 3.147 1.898 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.569 1.482 -0.539 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.246 2.947 1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.339 3.784 -0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.916 2.346 -2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.555 1.034 1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.598 0.640 -3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.238 -0.665 0.863 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.240 -1.498 -0.847 1.00 0.00 H new ATOM 1324 N PHE A 86 -2.898 3.115 -2.235 1.00 0.00 N ATOM 1325 CA PHE A 86 -2.334 4.012 -3.228 1.00 0.00 C ATOM 1326 C PHE A 86 -3.241 4.107 -4.458 1.00 0.00 C ATOM 1327 O PHE A 86 -2.767 4.367 -5.564 1.00 0.00 O ATOM 1328 CB PHE A 86 -0.985 3.424 -3.648 1.00 0.00 C ATOM 1329 CG PHE A 86 -1.041 1.943 -4.022 1.00 0.00 C ATOM 1330 CD1 PHE A 86 -1.625 1.557 -5.189 1.00 0.00 C ATOM 1331 CD2 PHE A 86 -0.508 1.010 -3.187 1.00 0.00 C ATOM 1332 CE1 PHE A 86 -1.677 0.181 -5.536 1.00 0.00 C ATOM 1333 CE2 PHE A 86 -0.560 -0.365 -3.535 1.00 0.00 C ATOM 1334 CZ PHE A 86 -1.142 -0.752 -4.701 1.00 0.00 C ATOM 0 H PHE A 86 -3.148 2.191 -2.587 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.228 5.013 -2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -0.603 3.989 -4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.273 3.556 -2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.049 2.297 -5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.046 1.316 -2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.141 -0.125 -6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.136 -1.105 -2.872 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.180 -1.799 -4.965 1.00 0.00 H new ATOM 1658 N ILE A 109 -10.824 -5.278 5.782 1.00 0.00 N ATOM 1659 CA ILE A 109 -9.580 -5.208 6.529 1.00 0.00 C ATOM 1660 C ILE A 109 -9.145 -3.746 6.649 1.00 0.00 C ATOM 1661 O ILE A 109 -8.523 -3.360 7.639 1.00 0.00 O ATOM 1662 CB ILE A 109 -8.522 -6.114 5.895 1.00 0.00 C ATOM 1663 CG1 ILE A 109 -8.777 -7.581 6.245 1.00 0.00 C ATOM 1664 CG2 ILE A 109 -7.112 -5.668 6.286 1.00 0.00 C ATOM 1665 CD1 ILE A 109 -9.939 -8.147 5.427 1.00 0.00 C ATOM 0 HA ILE A 109 -9.722 -5.584 7.542 1.00 0.00 H new ATOM 0 HB ILE A 109 -8.599 -6.023 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.876 -8.165 6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.998 -7.671 7.308 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -6.380 -6.329 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -6.946 -4.646 5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.004 -5.711 7.370 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.099 -9.191 5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.844 -7.576 5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.704 -8.078 4.365 1.00 0.00 H new ATOM 1677 N SER A 110 -9.490 -2.973 5.630 1.00 0.00 N ATOM 1678 CA SER A 110 -9.142 -1.561 5.610 1.00 0.00 C ATOM 1679 C SER A 110 -9.274 -0.971 7.015 1.00 0.00 C ATOM 1680 O SER A 110 -8.277 -0.790 7.713 1.00 0.00 O ATOM 1681 CB SER A 110 -10.025 -0.791 4.626 1.00 0.00 C ATOM 1682 OG SER A 110 -9.806 -1.202 3.280 1.00 0.00 O ATOM 0 H SER A 110 -10.007 -3.297 4.812 1.00 0.00 H new ATOM 0 HA SER A 110 -8.108 -1.467 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.073 -0.941 4.885 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.824 0.276 4.717 1.00 0.00 H new ATOM 0 HG SER A 110 -10.389 -0.689 2.682 1.00 0.00 H new ATOM 1688 N GLN A 111 -10.513 -0.685 7.389 1.00 0.00 N ATOM 1689 CA GLN A 111 -10.787 -0.118 8.699 1.00 0.00 C ATOM 1690 C GLN A 111 -11.141 -1.226 9.692 1.00 0.00 C ATOM 1691 O GLN A 111 -10.574 -1.292 10.783 1.00 0.00 O ATOM 1692 CB GLN A 111 -11.902 0.926 8.620 1.00 0.00 C ATOM 1693 CG GLN A 111 -11.558 2.022 7.610 1.00 0.00 C ATOM 1694 CD GLN A 111 -12.716 2.254 6.638 1.00 0.00 C ATOM 1695 OE1 GLN A 111 -13.380 3.278 6.655 1.00 0.00 O ATOM 1696 NE2 GLN A 111 -12.920 1.249 5.791 1.00 0.00 N ATOM 0 H GLN A 111 -11.338 -0.835 6.808 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.887 0.385 9.053 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -12.837 0.444 8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -12.060 1.369 9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -11.329 2.948 8.137 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -10.663 1.742 7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -12.327 0.420 5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -13.669 1.307 5.101 1.00 0.00 H new ATOM 1705 N ARG A 112 -12.078 -2.069 9.282 1.00 0.00 N ATOM 1706 CA ARG A 112 -12.515 -3.170 10.122 1.00 0.00 C ATOM 1707 C ARG A 112 -11.329 -4.069 10.477 1.00 0.00 C ATOM 1708 O ARG A 112 -11.416 -4.885 11.395 1.00 0.00 O ATOM 1709 CB ARG A 112 -13.588 -4.007 9.422 1.00 0.00 C ATOM 1710 CG ARG A 112 -14.979 -3.682 9.969 1.00 0.00 C ATOM 1711 CD ARG A 112 -15.126 -2.185 10.241 1.00 0.00 C ATOM 1712 NE ARG A 112 -14.993 -1.918 11.692 1.00 0.00 N ATOM 1713 CZ ARG A 112 -14.959 -0.682 12.235 1.00 0.00 C ATOM 1714 NH1 ARG A 112 -15.050 0.412 11.450 1.00 0.00 N ATOM 1715 NH2 ARG A 112 -14.836 -0.562 13.543 1.00 0.00 N ATOM 0 H ARG A 112 -12.547 -2.011 8.378 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.939 -2.744 11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -13.561 -3.816 8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.377 -5.067 9.562 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -15.738 -4.002 9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -15.151 -4.241 10.889 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -14.366 -1.631 9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -16.096 -1.836 9.886 1.00 0.00 H new ATOM 0 HE ARG A 112 -14.923 -2.718 12.321 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.145 0.308 10.440 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.024 1.343 11.867 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.768 -1.395 14.127 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.809 0.364 13.970 1.00 0.00 H new ATOM 1729 N GLY A 113 -10.248 -3.890 9.733 1.00 0.00 N ATOM 1730 CA GLY A 113 -9.046 -4.675 9.958 1.00 0.00 C ATOM 1731 C GLY A 113 -8.002 -3.870 10.734 1.00 0.00 C ATOM 1732 O GLY A 113 -7.103 -4.442 11.350 1.00 0.00 O ATOM 0 H GLY A 113 -10.179 -3.213 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.297 -5.580 10.511 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.629 -4.991 9.002 1.00 0.00 H new ATOM 1736 N GLY A 114 -8.156 -2.555 10.680 1.00 0.00 N ATOM 1737 CA GLY A 114 -7.237 -1.664 11.370 1.00 0.00 C ATOM 1738 C GLY A 114 -7.392 -0.225 10.872 1.00 0.00 C ATOM 1739 O GLY A 114 -8.509 0.271 10.734 1.00 0.00 O ATOM 0 H GLY A 114 -8.903 -2.085 10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.423 -1.703 12.443 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.212 -1.999 11.212 1.00 0.00 H new ATOM 1743 N LYS A 115 -6.254 0.404 10.618 1.00 0.00 N ATOM 1744 CA LYS A 115 -6.248 1.776 10.140 1.00 0.00 C ATOM 1745 C LYS A 115 -5.773 1.803 8.686 1.00 0.00 C ATOM 1746 O LYS A 115 -4.968 0.968 8.276 1.00 0.00 O ATOM 1747 CB LYS A 115 -5.423 2.664 11.073 1.00 0.00 C ATOM 1748 CG LYS A 115 -6.330 3.565 11.915 1.00 0.00 C ATOM 1749 CD LYS A 115 -6.605 2.940 13.283 1.00 0.00 C ATOM 1750 CE LYS A 115 -7.673 3.731 14.043 1.00 0.00 C ATOM 1751 NZ LYS A 115 -7.372 3.749 15.492 1.00 0.00 N ATOM 0 H LYS A 115 -5.330 -0.011 10.734 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.257 2.189 10.154 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.813 2.042 11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.738 3.277 10.487 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.861 4.540 12.044 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.271 3.731 11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.933 1.908 13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.684 2.912 13.866 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.718 4.751 13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.653 3.285 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.106 4.290 15.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.352 2.774 15.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.446 4.196 15.649 1.00 0.00 H new ATOM 1765 N THR A 116 -6.292 2.771 7.945 1.00 0.00 N ATOM 1766 CA THR A 116 -5.932 2.918 6.545 1.00 0.00 C ATOM 1767 C THR A 116 -5.334 4.302 6.290 1.00 0.00 C ATOM 1768 O THR A 116 -5.832 5.302 6.806 1.00 0.00 O ATOM 1769 CB THR A 116 -7.177 2.629 5.704 1.00 0.00 C ATOM 1770 OG1 THR A 116 -6.713 2.697 4.359 1.00 0.00 O ATOM 1771 CG2 THR A 116 -8.218 3.747 5.796 1.00 0.00 C ATOM 0 H THR A 116 -6.960 3.462 8.288 1.00 0.00 H new ATOM 0 HA THR A 116 -5.157 2.207 6.259 1.00 0.00 H new ATOM 0 HB THR A 116 -7.623 1.689 6.029 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.457 2.520 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 116 -9.081 3.492 5.181 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.533 3.866 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.782 4.680 5.440 1.00 0.00 H new ATOM 1779 N VAL A 117 -4.275 4.316 5.494 1.00 0.00 N ATOM 1780 CA VAL A 117 -3.604 5.562 5.163 1.00 0.00 C ATOM 1781 C VAL A 117 -3.779 5.849 3.670 1.00 0.00 C ATOM 1782 O VAL A 117 -3.814 4.927 2.857 1.00 0.00 O ATOM 1783 CB VAL A 117 -2.137 5.496 5.592 1.00 0.00 C ATOM 1784 CG1 VAL A 117 -2.012 5.064 7.054 1.00 0.00 C ATOM 1785 CG2 VAL A 117 -1.338 4.566 4.675 1.00 0.00 C ATOM 0 H VAL A 117 -3.865 3.485 5.069 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.051 6.394 5.708 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.717 6.498 5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.959 5.025 7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.530 5.781 7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.458 4.077 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.299 4.537 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.760 3.562 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.386 4.936 3.651 1.00 0.00 H new ATOM 1795 N GLY A 118 -3.881 7.132 3.355 1.00 0.00 N ATOM 1796 CA GLY A 118 -4.052 7.553 1.975 1.00 0.00 C ATOM 1797 C GLY A 118 -5.523 7.489 1.561 1.00 0.00 C ATOM 1798 O GLY A 118 -5.843 7.050 0.457 1.00 0.00 O ATOM 0 H GLY A 118 -3.848 7.894 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.680 8.570 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -3.458 6.915 1.320 1.00 0.00 H new ATOM 2336 N ASP A 154 9.394 13.621 -5.784 1.00 0.00 N ATOM 2337 CA ASP A 154 9.465 13.212 -4.392 1.00 0.00 C ATOM 2338 C ASP A 154 8.092 12.703 -3.943 1.00 0.00 C ATOM 2339 O ASP A 154 7.693 12.911 -2.800 1.00 0.00 O ATOM 2340 CB ASP A 154 9.850 14.387 -3.491 1.00 0.00 C ATOM 2341 CG ASP A 154 11.192 15.042 -3.822 1.00 0.00 C ATOM 2342 OD1 ASP A 154 11.452 15.420 -4.975 1.00 0.00 O ATOM 2343 OD2 ASP A 154 12.002 15.160 -2.824 1.00 0.00 O ATOM 0 HA ASP A 154 10.221 12.431 -4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 154 9.068 15.144 -3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 154 9.877 14.040 -2.458 1.00 0.00 H new ATOM 2349 N ARG A 155 7.409 12.047 -4.870 1.00 0.00 N ATOM 2350 CA ARG A 155 6.091 11.507 -4.585 1.00 0.00 C ATOM 2351 C ARG A 155 6.207 10.242 -3.732 1.00 0.00 C ATOM 2352 O ARG A 155 5.365 9.989 -2.872 1.00 0.00 O ATOM 2353 CB ARG A 155 5.339 11.176 -5.876 1.00 0.00 C ATOM 2354 CG ARG A 155 3.827 11.201 -5.653 1.00 0.00 C ATOM 2355 CD ARG A 155 3.077 10.867 -6.944 1.00 0.00 C ATOM 2356 NE ARG A 155 2.760 9.422 -6.985 1.00 0.00 N ATOM 2357 CZ ARG A 155 1.767 8.845 -6.275 1.00 0.00 C ATOM 2358 NH1 ARG A 155 0.986 9.585 -5.461 1.00 0.00 N ATOM 2359 NH2 ARG A 155 1.573 7.543 -6.388 1.00 0.00 N ATOM 0 H ARG A 155 7.744 11.878 -5.818 1.00 0.00 H new ATOM 0 HA ARG A 155 5.534 12.268 -4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 155 5.607 11.894 -6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 155 5.641 10.192 -6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 155 3.558 10.485 -4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 155 3.525 12.186 -5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 155 2.159 11.451 -7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 155 3.684 11.139 -7.808 1.00 0.00 H new ATOM 0 HE ARG A 155 3.327 8.825 -7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 155 1.143 10.589 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 155 0.238 9.140 -4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 155 2.169 6.990 -7.004 1.00 0.00 H new ATOM 0 HH22 ARG A 155 0.827 7.091 -5.859 1.00 0.00 H new ATOM 2373 N ILE A 156 7.258 9.482 -3.999 1.00 0.00 N ATOM 2374 CA ILE A 156 7.496 8.249 -3.267 1.00 0.00 C ATOM 2375 C ILE A 156 7.945 8.585 -1.844 1.00 0.00 C ATOM 2376 O ILE A 156 7.571 7.898 -0.893 1.00 0.00 O ATOM 2377 CB ILE A 156 8.479 7.355 -4.027 1.00 0.00 C ATOM 2378 CG1 ILE A 156 9.692 8.156 -4.503 1.00 0.00 C ATOM 2379 CG2 ILE A 156 7.782 6.631 -5.181 1.00 0.00 C ATOM 2380 CD1 ILE A 156 10.988 7.377 -4.271 1.00 0.00 C ATOM 0 H ILE A 156 7.955 9.696 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 156 6.575 7.672 -3.184 1.00 0.00 H new ATOM 0 HB ILE A 156 8.846 6.591 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 156 9.587 8.387 -5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 156 9.735 9.107 -3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 156 8.503 6.003 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 156 6.977 6.010 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 156 7.369 7.364 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 156 11.835 7.969 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 156 11.102 7.169 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 156 10.951 6.437 -4.822 1.00 0.00 H new ATOM 2392 N LYS A 157 8.737 9.640 -1.741 1.00 0.00 N ATOM 2393 CA LYS A 157 9.242 10.075 -0.448 1.00 0.00 C ATOM 2394 C LYS A 157 8.079 10.603 0.395 1.00 0.00 C ATOM 2395 O LYS A 157 8.096 10.489 1.620 1.00 0.00 O ATOM 2396 CB LYS A 157 10.379 11.082 -0.628 1.00 0.00 C ATOM 2397 CG LYS A 157 11.260 10.707 -1.821 1.00 0.00 C ATOM 2398 CD LYS A 157 12.644 11.348 -1.704 1.00 0.00 C ATOM 2399 CE LYS A 157 13.670 10.601 -2.557 1.00 0.00 C ATOM 2400 NZ LYS A 157 14.827 11.471 -2.859 1.00 0.00 N ATOM 0 H LYS A 157 9.043 10.208 -2.531 1.00 0.00 H new ATOM 0 HA LYS A 157 9.676 9.235 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 157 9.966 12.080 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 157 10.984 11.119 0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 157 11.361 9.623 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 157 10.783 11.030 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 157 12.594 12.390 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 157 12.962 11.346 -0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 157 14.007 9.708 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 157 13.206 10.268 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 15.513 10.947 -3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 14.503 12.311 -3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 15.279 11.768 -1.971 1.00 0.00 H new ATOM 2414 N SER A 158 7.100 11.170 -0.293 1.00 0.00 N ATOM 2415 CA SER A 158 5.932 11.715 0.377 1.00 0.00 C ATOM 2416 C SER A 158 4.988 10.584 0.792 1.00 0.00 C ATOM 2417 O SER A 158 4.589 10.496 1.952 1.00 0.00 O ATOM 2418 CB SER A 158 5.199 12.716 -0.519 1.00 0.00 C ATOM 2419 OG SER A 158 3.908 13.042 -0.010 1.00 0.00 O ATOM 0 H SER A 158 7.091 11.264 -1.309 1.00 0.00 H new ATOM 0 HA SER A 158 6.267 12.244 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 158 5.793 13.625 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 158 5.099 12.300 -1.522 1.00 0.00 H new ATOM 0 HG SER A 158 3.473 13.684 -0.609 1.00 0.00 H new ATOM 2425 N TRP A 159 4.661 9.744 -0.180 1.00 0.00 N ATOM 2426 CA TRP A 159 3.773 8.622 0.069 1.00 0.00 C ATOM 2427 C TRP A 159 4.388 7.769 1.180 1.00 0.00 C ATOM 2428 O TRP A 159 3.754 7.528 2.206 1.00 0.00 O ATOM 2429 CB TRP A 159 3.513 7.833 -1.216 1.00 0.00 C ATOM 2430 CG TRP A 159 2.431 6.760 -1.080 1.00 0.00 C ATOM 2431 CD1 TRP A 159 1.112 6.935 -0.922 1.00 0.00 C ATOM 2432 CD2 TRP A 159 2.631 5.330 -1.097 1.00 0.00 C ATOM 2433 NE1 TRP A 159 0.449 5.728 -0.835 1.00 0.00 N ATOM 2434 CE2 TRP A 159 1.401 4.721 -0.945 1.00 0.00 C ATOM 2435 CE3 TRP A 159 3.809 4.578 -1.235 1.00 0.00 C ATOM 2436 CZ2 TRP A 159 1.232 3.332 -0.918 1.00 0.00 C ATOM 2437 CZ3 TRP A 159 3.625 3.191 -1.205 1.00 0.00 C ATOM 2438 CH2 TRP A 159 2.395 2.561 -1.054 1.00 0.00 C ATOM 0 H TRP A 159 4.995 9.819 -1.141 1.00 0.00 H new ATOM 0 HA TRP A 159 2.795 8.971 0.400 1.00 0.00 H new ATOM 0 HB2 TRP A 159 3.224 8.528 -2.004 1.00 0.00 H new ATOM 0 HB3 TRP A 159 4.442 7.359 -1.533 1.00 0.00 H new ATOM 0 HD1 TRP A 159 0.629 7.899 -0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 159 -0.555 5.598 -0.712 1.00 0.00 H new ATOM 0 HE3 TRP A 159 4.781 5.034 -1.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 159 0.259 2.879 -0.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 159 4.500 2.566 -1.306 1.00 0.00 H new ATOM 0 HH2 TRP A 159 2.336 1.483 -1.042 1.00 0.00 H new ATOM 2449 N VAL A 160 5.616 7.336 0.938 1.00 0.00 N ATOM 2450 CA VAL A 160 6.325 6.516 1.906 1.00 0.00 C ATOM 2451 C VAL A 160 6.265 7.189 3.279 1.00 0.00 C ATOM 2452 O VAL A 160 5.881 6.562 4.265 1.00 0.00 O ATOM 2453 CB VAL A 160 7.755 6.259 1.427 1.00 0.00 C ATOM 2454 CG1 VAL A 160 8.625 5.719 2.564 1.00 0.00 C ATOM 2455 CG2 VAL A 160 7.770 5.311 0.227 1.00 0.00 C ATOM 0 H VAL A 160 6.139 7.537 0.086 1.00 0.00 H new ATOM 0 HA VAL A 160 5.849 5.540 2.002 1.00 0.00 H new ATOM 0 HB VAL A 160 8.177 7.211 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 160 9.636 5.545 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.654 6.445 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 160 8.205 4.782 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 160 8.799 5.146 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 160 7.320 4.359 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 160 7.202 5.752 -0.592 1.00 0.00 H new ATOM 2465 N ALA A 161 6.653 8.457 3.298 1.00 0.00 N ATOM 2466 CA ALA A 161 6.648 9.221 4.534 1.00 0.00 C ATOM 2467 C ALA A 161 5.248 9.180 5.149 1.00 0.00 C ATOM 2468 O ALA A 161 5.101 9.227 6.369 1.00 0.00 O ATOM 2469 CB ALA A 161 7.120 10.650 4.252 1.00 0.00 C ATOM 0 H ALA A 161 6.972 8.973 2.478 1.00 0.00 H new ATOM 0 HA ALA A 161 7.338 8.786 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 161 7.117 11.224 5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 161 8.130 10.626 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 161 6.449 11.119 3.532 1.00 0.00 H new ATOM 2475 N GLN A 162 4.256 9.094 4.276 1.00 0.00 N ATOM 2476 CA GLN A 162 2.872 9.046 4.718 1.00 0.00 C ATOM 2477 C GLN A 162 2.567 7.694 5.365 1.00 0.00 C ATOM 2478 O GLN A 162 1.985 7.636 6.448 1.00 0.00 O ATOM 2479 CB GLN A 162 1.915 9.328 3.558 1.00 0.00 C ATOM 2480 CG GLN A 162 1.275 10.710 3.698 1.00 0.00 C ATOM 2481 CD GLN A 162 0.605 10.868 5.065 1.00 0.00 C ATOM 2482 OE1 GLN A 162 1.107 11.530 5.958 1.00 0.00 O ATOM 2483 NE2 GLN A 162 -0.554 10.226 5.175 1.00 0.00 N ATOM 0 H GLN A 162 4.382 9.056 3.265 1.00 0.00 H new ATOM 0 HA GLN A 162 2.723 9.825 5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 162 2.455 9.268 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 162 1.138 8.565 3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 162 2.035 11.481 3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 162 0.537 10.855 2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -0.917 9.689 4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -1.081 10.270 6.047 1.00 0.00 H new ATOM 2492 N LEU A 163 2.973 6.638 4.673 1.00 0.00 N ATOM 2493 CA LEU A 163 2.751 5.290 5.166 1.00 0.00 C ATOM 2494 C LEU A 163 3.428 5.132 6.529 1.00 0.00 C ATOM 2495 O LEU A 163 2.786 4.748 7.506 1.00 0.00 O ATOM 2496 CB LEU A 163 3.205 4.260 4.131 1.00 0.00 C ATOM 2497 CG LEU A 163 3.075 4.679 2.665 1.00 0.00 C ATOM 2498 CD1 LEU A 163 3.240 3.477 1.734 1.00 0.00 C ATOM 2499 CD2 LEU A 163 1.758 5.418 2.421 1.00 0.00 C ATOM 0 H LEU A 163 3.454 6.690 3.775 1.00 0.00 H new ATOM 0 HA LEU A 163 1.687 5.110 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 163 4.249 4.014 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 163 2.629 3.347 4.280 1.00 0.00 H new ATOM 0 HG LEU A 163 3.882 5.375 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 163 3.143 3.803 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 163 4.224 3.033 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 163 2.471 2.737 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 163 1.691 5.705 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.922 4.765 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 163 1.721 6.311 3.044 1.00 0.00 H new ATOM 2511 N LYS A 164 4.718 5.436 6.553 1.00 0.00 N ATOM 2512 CA LYS A 164 5.489 5.332 7.779 1.00 0.00 C ATOM 2513 C LYS A 164 4.950 6.335 8.802 1.00 0.00 C ATOM 2514 O LYS A 164 4.934 6.056 10.000 1.00 0.00 O ATOM 2515 CB LYS A 164 6.983 5.495 7.489 1.00 0.00 C ATOM 2516 CG LYS A 164 7.434 4.532 6.388 1.00 0.00 C ATOM 2517 CD LYS A 164 7.114 3.083 6.761 1.00 0.00 C ATOM 2518 CE LYS A 164 7.674 2.735 8.142 1.00 0.00 C ATOM 2519 NZ LYS A 164 6.582 2.644 9.136 1.00 0.00 N ATOM 0 H LYS A 164 5.248 5.755 5.742 1.00 0.00 H new ATOM 0 HA LYS A 164 5.378 4.339 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 164 7.189 6.522 7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 164 7.556 5.309 8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 164 6.939 4.788 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 164 8.506 4.640 6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 164 6.035 2.932 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 164 7.535 2.410 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 164 8.211 1.788 8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 164 8.393 3.494 8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 6.834 1.946 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 6.439 3.573 9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 5.705 2.348 8.662 1.00 0.00 H new ATOM 2533 N SER A 165 4.521 7.479 8.291 1.00 0.00 N ATOM 2534 CA SER A 165 3.983 8.525 9.145 1.00 0.00 C ATOM 2535 C SER A 165 2.879 7.954 10.038 1.00 0.00 C ATOM 2536 O SER A 165 3.104 7.691 11.218 1.00 0.00 O ATOM 2537 CB SER A 165 3.445 9.692 8.315 1.00 0.00 C ATOM 2538 OG SER A 165 2.413 10.400 8.996 1.00 0.00 O ATOM 0 H SER A 165 4.535 7.705 7.296 1.00 0.00 H new ATOM 0 HA SER A 165 4.790 8.904 9.772 1.00 0.00 H new ATOM 0 HB2 SER A 165 4.260 10.376 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 165 3.062 9.316 7.366 1.00 0.00 H new ATOM 0 HG SER A 165 2.097 11.138 8.434 1.00 0.00 H new ATOM 2544 N GLU A 166 1.709 7.783 9.440 1.00 0.00 N ATOM 2545 CA GLU A 166 0.568 7.248 10.166 1.00 0.00 C ATOM 2546 C GLU A 166 0.962 5.966 10.902 1.00 0.00 C ATOM 2547 O GLU A 166 0.868 5.895 12.126 1.00 0.00 O ATOM 2548 CB GLU A 166 -0.612 7.000 9.225 1.00 0.00 C ATOM 2549 CG GLU A 166 -1.496 8.243 9.116 1.00 0.00 C ATOM 2550 CD GLU A 166 -2.140 8.578 10.464 1.00 0.00 C ATOM 2551 OE1 GLU A 166 -1.890 9.659 11.018 1.00 0.00 O ATOM 2552 OE2 GLU A 166 -2.926 7.670 10.933 1.00 0.00 O ATOM 0 H GLU A 166 1.526 8.005 8.461 1.00 0.00 H new ATOM 0 HA GLU A 166 0.253 7.985 10.904 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -0.242 6.724 8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -1.203 6.160 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -0.900 9.089 8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -2.272 8.077 8.369 1.00 0.00 H new ATOM 2560 N PHE A 167 1.394 4.983 10.124 1.00 0.00 N ATOM 2561 CA PHE A 167 1.804 3.708 10.688 1.00 0.00 C ATOM 2562 C PHE A 167 2.715 3.910 11.899 1.00 0.00 C ATOM 2563 O PHE A 167 2.817 3.036 12.759 1.00 0.00 O ATOM 2564 CB PHE A 167 2.579 2.966 9.598 1.00 0.00 C ATOM 2565 CG PHE A 167 1.726 2.554 8.398 1.00 0.00 C ATOM 2566 CD1 PHE A 167 0.379 2.731 8.428 1.00 0.00 C ATOM 2567 CD2 PHE A 167 2.315 2.008 7.300 1.00 0.00 C ATOM 2568 CE1 PHE A 167 -0.414 2.348 7.314 1.00 0.00 C ATOM 2569 CE2 PHE A 167 1.523 1.626 6.186 1.00 0.00 C ATOM 2570 CZ PHE A 167 0.176 1.804 6.217 1.00 0.00 C ATOM 0 H PHE A 167 1.469 5.044 9.109 1.00 0.00 H new ATOM 0 HA PHE A 167 0.928 3.148 11.017 1.00 0.00 H new ATOM 0 HB2 PHE A 167 3.394 3.601 9.250 1.00 0.00 H new ATOM 0 HB3 PHE A 167 3.032 2.074 10.032 1.00 0.00 H new ATOM 0 HD1 PHE A 167 -0.089 3.163 9.300 1.00 0.00 H new ATOM 0 HD2 PHE A 167 3.385 1.865 7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 167 -1.485 2.489 7.338 1.00 0.00 H new ATOM 0 HE2 PHE A 167 1.991 1.194 5.314 1.00 0.00 H new ATOM 0 HZ PHE A 167 -0.426 1.513 5.369 1.00 0.00 H new ATOM 2580 N GLY A 168 3.356 5.070 11.931 1.00 0.00 N ATOM 2581 CA GLY A 168 4.257 5.399 13.022 1.00 0.00 C ATOM 2582 C GLY A 168 5.519 6.091 12.502 1.00 0.00 C ATOM 2583 O GLY A 168 6.507 5.432 12.182 1.00 0.00 O ATOM 0 H GLY A 168 3.269 5.794 11.218 1.00 0.00 H new ATOM 0 HA2 GLY A 168 3.749 6.049 13.734 1.00 0.00 H new ATOM 0 HA3 GLY A 168 4.531 4.491 13.559 1.00 0.00 H new