USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 493 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 30 HIS : no HE2:sc= -0.373 K(o=-1.1,f=-3.4!) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= -0.703 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 42:sc= 0.442 USER MOD Single : A 19 ASN : amide:sc= -0.095 K(o=-0.095,f=-0.7) USER MOD Single : A 21 MET CE :methyl 173:sc= -2.49! (180deg=-2.52!) USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= -1.38! (180deg=-1.38!) USER MOD Single : A 28 ASN : amide:sc= -0.0455 K(o=-0.046,f=-1.6!) USER MOD Single : A 35 HIS : no HE2:sc= 0.91 K(o=0.91,f=-8.2!) USER MOD Single : A 37 SER OG : rot -101:sc= 0.0243 USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= 1.31 (180deg=1.08) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0.098 (180deg=0.0316) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 173:sc= -2.04 (180deg=-2.15!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 177:sc= 1.27 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 6 8.101 -9.422 5.393 1.00 0.00 N ATOM 82 CA VAL A 6 7.456 -8.201 5.033 1.00 0.00 C ATOM 83 C VAL A 6 6.820 -8.535 3.702 1.00 0.00 C ATOM 84 O VAL A 6 7.414 -9.289 2.920 1.00 0.00 O ATOM 85 CB VAL A 6 8.471 -7.023 4.842 1.00 0.00 C ATOM 86 CG1 VAL A 6 7.746 -5.720 4.516 1.00 0.00 C ATOM 87 CG2 VAL A 6 9.351 -6.842 6.075 1.00 0.00 C ATOM 0 HA VAL A 6 6.759 -7.868 5.802 1.00 0.00 H new ATOM 0 HB VAL A 6 9.113 -7.282 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.475 -4.920 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.176 -5.841 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.068 -5.467 5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.044 -6.017 5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.725 -6.622 6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.914 -7.757 6.258 1.00 0.00 H new ATOM 97 N ILE A 7 5.654 -8.044 3.436 1.00 0.00 N ATOM 98 CA ILE A 7 4.984 -8.394 2.211 1.00 0.00 C ATOM 99 C ILE A 7 4.726 -7.155 1.392 1.00 0.00 C ATOM 100 O ILE A 7 4.074 -6.231 1.864 1.00 0.00 O ATOM 101 CB ILE A 7 3.636 -9.133 2.487 1.00 0.00 C ATOM 102 CG1 ILE A 7 3.877 -10.387 3.349 1.00 0.00 C ATOM 103 CG2 ILE A 7 2.954 -9.518 1.170 1.00 0.00 C ATOM 104 CD1 ILE A 7 2.615 -11.136 3.734 1.00 0.00 C ATOM 0 H ILE A 7 5.142 -7.402 4.042 1.00 0.00 H new ATOM 0 HA ILE A 7 5.634 -9.071 1.657 1.00 0.00 H new ATOM 0 HB ILE A 7 2.979 -8.456 3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.536 -11.065 2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.402 -10.093 4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.016 -10.032 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.751 -8.618 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.609 -10.178 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.877 -12.004 4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.962 -10.478 4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.098 -11.465 2.833 1.00 0.00 H new ATOM 116 N GLU A 8 5.253 -7.123 0.195 1.00 0.00 N ATOM 117 CA GLU A 8 5.009 -6.025 -0.697 1.00 0.00 C ATOM 118 C GLU A 8 3.986 -6.422 -1.732 1.00 0.00 C ATOM 119 O GLU A 8 4.110 -7.458 -2.392 1.00 0.00 O ATOM 120 CB GLU A 8 6.286 -5.520 -1.363 1.00 0.00 C ATOM 121 CG GLU A 8 7.279 -4.892 -0.404 1.00 0.00 C ATOM 122 CD GLU A 8 8.473 -4.309 -1.120 1.00 0.00 C ATOM 123 OE1 GLU A 8 9.441 -5.050 -1.348 1.00 0.00 O ATOM 124 OE2 GLU A 8 8.432 -3.100 -1.469 1.00 0.00 O ATOM 0 H GLU A 8 5.858 -7.852 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 8 4.620 -5.198 -0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.769 -6.352 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.020 -4.787 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.783 -4.108 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.617 -5.643 0.310 1.00 0.00 H new ATOM 131 N LEU A 9 2.965 -5.626 -1.828 1.00 0.00 N ATOM 132 CA LEU A 9 1.865 -5.832 -2.747 1.00 0.00 C ATOM 133 C LEU A 9 1.683 -4.588 -3.574 1.00 0.00 C ATOM 134 O LEU A 9 2.187 -3.521 -3.205 1.00 0.00 O ATOM 135 CB LEU A 9 0.564 -6.176 -2.001 1.00 0.00 C ATOM 136 CG LEU A 9 0.556 -7.490 -1.204 1.00 0.00 C ATOM 137 CD1 LEU A 9 -0.774 -7.674 -0.499 1.00 0.00 C ATOM 138 CD2 LEU A 9 0.835 -8.682 -2.115 1.00 0.00 C ATOM 0 H LEU A 9 2.862 -4.788 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 9 2.100 -6.678 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.338 -5.360 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.247 -6.214 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 9 1.347 -7.435 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.763 -8.609 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.941 -6.843 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.576 -7.702 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.824 -9.600 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.068 -8.737 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.813 -8.562 -2.582 1.00 0.00 H new ATOM 150 N GLU A 10 0.996 -4.699 -4.675 1.00 0.00 N ATOM 151 CA GLU A 10 0.801 -3.564 -5.534 1.00 0.00 C ATOM 152 C GLU A 10 -0.627 -3.100 -5.413 1.00 0.00 C ATOM 153 O GLU A 10 -1.547 -3.911 -5.371 1.00 0.00 O ATOM 154 CB GLU A 10 1.025 -3.912 -6.993 1.00 0.00 C ATOM 155 CG GLU A 10 2.337 -4.573 -7.358 1.00 0.00 C ATOM 156 CD GLU A 10 2.440 -4.691 -8.856 1.00 0.00 C ATOM 157 OE1 GLU A 10 1.688 -5.477 -9.465 1.00 0.00 O ATOM 158 OE2 GLU A 10 3.173 -3.903 -9.479 1.00 0.00 O ATOM 0 H GLU A 10 0.561 -5.563 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 10 1.515 -2.799 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.216 -4.571 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.936 -2.995 -7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.171 -3.988 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.399 -5.560 -6.900 1.00 0.00 H new ATOM 165 N GLY A 11 -0.813 -1.819 -5.365 1.00 0.00 N ATOM 166 CA GLY A 11 -2.134 -1.291 -5.277 1.00 0.00 C ATOM 167 C GLY A 11 -2.287 -0.069 -6.120 1.00 0.00 C ATOM 168 O GLY A 11 -1.307 0.440 -6.679 1.00 0.00 O ATOM 0 H GLY A 11 -0.068 -1.122 -5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.852 -2.047 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.363 -1.050 -4.239 1.00 0.00 H new ATOM 172 N THR A 12 -3.485 0.400 -6.218 1.00 0.00 N ATOM 173 CA THR A 12 -3.794 1.581 -6.974 1.00 0.00 C ATOM 174 C THR A 12 -4.473 2.587 -6.045 1.00 0.00 C ATOM 175 O THR A 12 -5.406 2.245 -5.327 1.00 0.00 O ATOM 176 CB THR A 12 -4.704 1.218 -8.160 1.00 0.00 C ATOM 177 OG1 THR A 12 -4.076 0.147 -8.886 1.00 0.00 O ATOM 178 CG2 THR A 12 -4.892 2.413 -9.091 1.00 0.00 C ATOM 0 H THR A 12 -4.295 -0.029 -5.770 1.00 0.00 H new ATOM 0 HA THR A 12 -2.884 2.025 -7.377 1.00 0.00 H new ATOM 0 HB THR A 12 -5.684 0.921 -7.788 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.638 -0.105 -9.648 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.539 2.129 -9.921 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.348 3.235 -8.540 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.923 2.729 -9.478 1.00 0.00 H new ATOM 186 N VAL A 13 -3.977 3.790 -6.031 1.00 0.00 N ATOM 187 CA VAL A 13 -4.468 4.819 -5.123 1.00 0.00 C ATOM 188 C VAL A 13 -5.657 5.574 -5.666 1.00 0.00 C ATOM 189 O VAL A 13 -5.671 5.988 -6.820 1.00 0.00 O ATOM 190 CB VAL A 13 -3.329 5.754 -4.632 1.00 0.00 C ATOM 191 CG1 VAL A 13 -2.444 6.119 -5.763 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.852 7.011 -3.938 1.00 0.00 C ATOM 0 H VAL A 13 -3.221 4.098 -6.643 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.841 4.296 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.759 5.198 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.650 6.775 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.006 5.216 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.025 6.635 -6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.011 7.626 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.472 7.578 -4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.446 6.727 -3.070 1.00 0.00 H new ATOM 202 N LEU A 14 -6.653 5.714 -4.825 1.00 0.00 N ATOM 203 CA LEU A 14 -7.877 6.378 -5.176 1.00 0.00 C ATOM 204 C LEU A 14 -7.944 7.768 -4.550 1.00 0.00 C ATOM 205 O LEU A 14 -8.332 8.724 -5.209 1.00 0.00 O ATOM 206 CB LEU A 14 -9.078 5.540 -4.718 1.00 0.00 C ATOM 207 CG LEU A 14 -9.162 4.109 -5.274 1.00 0.00 C ATOM 208 CD1 LEU A 14 -10.359 3.380 -4.686 1.00 0.00 C ATOM 209 CD2 LEU A 14 -9.243 4.119 -6.798 1.00 0.00 C ATOM 0 H LEU A 14 -6.632 5.364 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.906 6.489 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.061 5.484 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.990 6.069 -4.995 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.254 3.580 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.404 2.369 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.260 3.333 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.273 3.914 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.301 3.095 -7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.131 4.668 -7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.355 4.601 -7.206 1.00 0.00 H new ATOM 221 N ASP A 15 -7.488 7.892 -3.309 1.00 0.00 N ATOM 222 CA ASP A 15 -7.655 9.153 -2.577 1.00 0.00 C ATOM 223 C ASP A 15 -6.344 9.634 -2.012 1.00 0.00 C ATOM 224 O ASP A 15 -5.439 8.834 -1.708 1.00 0.00 O ATOM 225 CB ASP A 15 -8.600 8.995 -1.381 1.00 0.00 C ATOM 226 CG ASP A 15 -9.960 8.410 -1.698 1.00 0.00 C ATOM 227 OD1 ASP A 15 -10.872 9.175 -2.047 1.00 0.00 O ATOM 228 OD2 ASP A 15 -10.113 7.171 -1.559 1.00 0.00 O ATOM 0 H ASP A 15 -7.009 7.155 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.060 9.861 -3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.115 8.361 -0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.743 9.973 -0.921 1.00 0.00 H new ATOM 233 N THR A 16 -6.257 10.923 -1.828 1.00 0.00 N ATOM 234 CA THR A 16 -5.121 11.567 -1.229 1.00 0.00 C ATOM 235 C THR A 16 -5.449 11.881 0.227 1.00 0.00 C ATOM 236 O THR A 16 -6.422 12.594 0.501 1.00 0.00 O ATOM 237 CB THR A 16 -4.825 12.882 -1.976 1.00 0.00 C ATOM 238 OG1 THR A 16 -6.053 13.618 -2.122 1.00 0.00 O ATOM 239 CG2 THR A 16 -4.243 12.611 -3.345 1.00 0.00 C ATOM 0 H THR A 16 -6.996 11.572 -2.098 1.00 0.00 H new ATOM 0 HA THR A 16 -4.251 10.913 -1.286 1.00 0.00 H new ATOM 0 HB THR A 16 -4.098 13.456 -1.401 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.567 13.566 -1.289 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.044 13.557 -3.849 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.313 12.052 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.952 12.028 -3.933 1.00 0.00 H new ATOM 247 N LEU A 17 -4.675 11.368 1.151 1.00 0.00 N ATOM 248 CA LEU A 17 -4.958 11.580 2.550 1.00 0.00 C ATOM 249 C LEU A 17 -3.931 12.580 3.133 1.00 0.00 C ATOM 250 O LEU A 17 -2.799 12.683 2.644 1.00 0.00 O ATOM 251 CB LEU A 17 -4.922 10.250 3.346 1.00 0.00 C ATOM 252 CG LEU A 17 -5.745 9.040 2.820 1.00 0.00 C ATOM 253 CD1 LEU A 17 -5.746 7.920 3.844 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.168 9.436 2.451 1.00 0.00 C ATOM 0 H LEU A 17 -3.847 10.803 0.962 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.964 11.989 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.881 9.935 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.260 10.463 4.360 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.265 8.685 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.326 7.079 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.722 7.599 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.191 8.277 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.707 8.561 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.674 9.835 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.143 10.196 1.670 1.00 0.00 H new ATOM 266 N PRO A 18 -4.318 13.361 4.148 1.00 0.00 N ATOM 267 CA PRO A 18 -3.423 14.339 4.781 1.00 0.00 C ATOM 268 C PRO A 18 -2.152 13.710 5.405 1.00 0.00 C ATOM 269 O PRO A 18 -2.133 12.534 5.751 1.00 0.00 O ATOM 270 CB PRO A 18 -4.295 14.979 5.875 1.00 0.00 C ATOM 271 CG PRO A 18 -5.420 14.026 6.086 1.00 0.00 C ATOM 272 CD PRO A 18 -5.662 13.378 4.758 1.00 0.00 C ATOM 0 HA PRO A 18 -3.040 15.046 4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.728 15.128 6.794 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.661 15.958 5.564 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.166 13.284 6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.312 14.546 6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.068 12.373 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.372 13.945 4.155 1.00 0.00 H new ATOM 280 N ASN A 19 -1.082 14.517 5.466 1.00 0.00 N ATOM 281 CA ASN A 19 0.220 14.175 6.128 1.00 0.00 C ATOM 282 C ASN A 19 1.016 13.117 5.333 1.00 0.00 C ATOM 283 O ASN A 19 1.953 12.491 5.854 1.00 0.00 O ATOM 284 CB ASN A 19 0.010 13.738 7.611 1.00 0.00 C ATOM 285 CG ASN A 19 1.280 13.831 8.482 1.00 0.00 C ATOM 286 OD1 ASN A 19 2.086 12.902 8.563 1.00 0.00 O ATOM 287 ND2 ASN A 19 1.449 14.949 9.155 1.00 0.00 N ATOM 0 H ASN A 19 -1.081 15.449 5.052 1.00 0.00 H new ATOM 0 HA ASN A 19 0.821 15.084 6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.768 14.359 8.055 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.354 12.711 7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.262 15.062 9.761 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.767 15.703 9.071 1.00 0.00 H new ATOM 294 N ALA A 20 0.688 13.006 4.049 1.00 0.00 N ATOM 295 CA ALA A 20 1.331 12.080 3.087 1.00 0.00 C ATOM 296 C ALA A 20 0.836 10.638 3.246 1.00 0.00 C ATOM 297 O ALA A 20 1.594 9.661 3.055 1.00 0.00 O ATOM 298 CB ALA A 20 2.861 12.165 3.125 1.00 0.00 C ATOM 0 H ALA A 20 -0.051 13.567 3.625 1.00 0.00 H new ATOM 0 HA ALA A 20 1.023 12.412 2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.282 11.467 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.175 13.179 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.215 11.910 4.124 1.00 0.00 H new ATOM 304 N MET A 21 -0.423 10.507 3.610 1.00 0.00 N ATOM 305 CA MET A 21 -1.094 9.223 3.588 1.00 0.00 C ATOM 306 C MET A 21 -1.847 9.134 2.286 1.00 0.00 C ATOM 307 O MET A 21 -2.165 10.152 1.694 1.00 0.00 O ATOM 308 CB MET A 21 -2.099 9.036 4.745 1.00 0.00 C ATOM 309 CG MET A 21 -1.606 8.219 5.919 1.00 0.00 C ATOM 310 SD MET A 21 -0.427 9.067 6.981 1.00 0.00 S ATOM 311 CE MET A 21 -1.500 10.245 7.807 1.00 0.00 C ATOM 0 H MET A 21 -1.007 11.281 3.927 1.00 0.00 H new ATOM 0 HA MET A 21 -0.337 8.446 3.698 1.00 0.00 H new ATOM 0 HB2 MET A 21 -2.392 10.021 5.109 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.997 8.562 4.348 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.464 7.917 6.520 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.144 7.307 5.541 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.941 10.761 8.588 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.868 10.972 7.083 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.344 9.718 8.253 1.00 0.00 H new ATOM 321 N PHE A 22 -2.108 7.962 1.824 1.00 0.00 N ATOM 322 CA PHE A 22 -2.875 7.787 0.614 1.00 0.00 C ATOM 323 C PHE A 22 -3.745 6.581 0.763 1.00 0.00 C ATOM 324 O PHE A 22 -3.352 5.605 1.430 1.00 0.00 O ATOM 325 CB PHE A 22 -1.966 7.649 -0.636 1.00 0.00 C ATOM 326 CG PHE A 22 -1.187 8.898 -0.978 1.00 0.00 C ATOM 327 CD1 PHE A 22 -1.736 9.879 -1.786 1.00 0.00 C ATOM 328 CD2 PHE A 22 0.084 9.095 -0.475 1.00 0.00 C ATOM 329 CE1 PHE A 22 -1.027 11.029 -2.081 1.00 0.00 C ATOM 330 CE2 PHE A 22 0.795 10.244 -0.764 1.00 0.00 C ATOM 331 CZ PHE A 22 0.238 11.210 -1.568 1.00 0.00 C ATOM 0 H PHE A 22 -1.803 7.093 2.263 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.488 8.675 0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.265 6.831 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.583 7.374 -1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.728 9.745 -2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.529 8.339 0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.466 11.786 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.786 10.383 -0.359 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.791 12.109 -1.797 1.00 0.00 H new ATOM 341 N LYS A 23 -4.930 6.636 0.208 1.00 0.00 N ATOM 342 CA LYS A 23 -5.777 5.488 0.237 1.00 0.00 C ATOM 343 C LYS A 23 -5.571 4.715 -1.015 1.00 0.00 C ATOM 344 O LYS A 23 -5.913 5.157 -2.126 1.00 0.00 O ATOM 345 CB LYS A 23 -7.257 5.788 0.487 1.00 0.00 C ATOM 346 CG LYS A 23 -8.120 4.530 0.398 1.00 0.00 C ATOM 347 CD LYS A 23 -9.517 4.730 0.942 1.00 0.00 C ATOM 348 CE LYS A 23 -10.396 3.523 0.629 1.00 0.00 C ATOM 349 NZ LYS A 23 -9.803 2.226 1.066 1.00 0.00 N ATOM 0 H LYS A 23 -5.319 7.454 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.486 4.893 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.374 6.239 1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.607 6.520 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.184 4.213 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.634 3.724 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.474 4.885 2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.956 5.628 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.364 3.653 1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.580 3.486 -0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.443 1.447 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.885 2.089 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.668 2.236 2.097 1.00 0.00 H new ATOM 363 N VAL A 24 -4.972 3.605 -0.840 1.00 0.00 N ATOM 364 CA VAL A 24 -4.612 2.745 -1.919 1.00 0.00 C ATOM 365 C VAL A 24 -5.462 1.505 -1.821 1.00 0.00 C ATOM 366 O VAL A 24 -5.731 1.059 -0.745 1.00 0.00 O ATOM 367 CB VAL A 24 -3.095 2.374 -1.851 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.630 1.642 -3.083 1.00 0.00 C ATOM 369 CG2 VAL A 24 -2.216 3.589 -1.566 1.00 0.00 C ATOM 0 H VAL A 24 -4.706 3.249 0.078 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.781 3.248 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.988 1.690 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.570 1.406 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.199 0.719 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.785 2.271 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.171 3.281 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.348 4.327 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.500 4.027 -0.609 1.00 0.00 H new ATOM 379 N GLU A 25 -5.923 0.996 -2.917 1.00 0.00 N ATOM 380 CA GLU A 25 -6.706 -0.202 -2.876 1.00 0.00 C ATOM 381 C GLU A 25 -5.936 -1.316 -3.551 1.00 0.00 C ATOM 382 O GLU A 25 -5.319 -1.104 -4.615 1.00 0.00 O ATOM 383 CB GLU A 25 -8.074 -0.003 -3.530 1.00 0.00 C ATOM 384 CG GLU A 25 -9.234 -0.490 -2.661 1.00 0.00 C ATOM 385 CD GLU A 25 -9.458 0.383 -1.420 1.00 0.00 C ATOM 386 OE1 GLU A 25 -8.530 0.563 -0.606 1.00 0.00 O ATOM 387 OE2 GLU A 25 -10.569 0.917 -1.236 1.00 0.00 O ATOM 0 H GLU A 25 -5.774 1.386 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.892 -0.468 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.213 1.055 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.095 -0.533 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.146 -0.506 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.041 -1.516 -2.347 1.00 0.00 H new ATOM 394 N LEU A 26 -5.905 -2.463 -2.919 1.00 0.00 N ATOM 395 CA LEU A 26 -5.185 -3.614 -3.442 1.00 0.00 C ATOM 396 C LEU A 26 -5.982 -4.366 -4.498 1.00 0.00 C ATOM 397 O LEU A 26 -7.210 -4.247 -4.587 1.00 0.00 O ATOM 398 CB LEU A 26 -4.792 -4.580 -2.320 1.00 0.00 C ATOM 399 CG LEU A 26 -3.722 -4.103 -1.342 1.00 0.00 C ATOM 400 CD1 LEU A 26 -3.499 -5.141 -0.257 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.416 -3.830 -2.074 1.00 0.00 C ATOM 0 H LEU A 26 -6.374 -2.632 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.284 -3.220 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.689 -4.821 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.445 -5.507 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.066 -3.177 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.733 -4.787 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.430 -5.305 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.174 -6.077 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.664 -3.491 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.072 -4.744 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.576 -3.059 -2.828 1.00 0.00 H new ATOM 413 N GLU A 27 -5.268 -5.187 -5.236 1.00 0.00 N ATOM 414 CA GLU A 27 -5.804 -6.039 -6.297 1.00 0.00 C ATOM 415 C GLU A 27 -6.746 -7.110 -5.734 1.00 0.00 C ATOM 416 O GLU A 27 -7.678 -7.564 -6.399 1.00 0.00 O ATOM 417 CB GLU A 27 -4.640 -6.677 -7.110 1.00 0.00 C ATOM 418 CG GLU A 27 -3.337 -6.987 -6.313 1.00 0.00 C ATOM 419 CD GLU A 27 -3.542 -7.822 -5.057 1.00 0.00 C ATOM 420 OE1 GLU A 27 -3.794 -7.211 -3.977 1.00 0.00 O ATOM 421 OE2 GLU A 27 -3.494 -9.052 -5.136 1.00 0.00 O ATOM 0 H GLU A 27 -4.260 -5.290 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.395 -5.418 -6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.000 -7.605 -7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.388 -6.007 -7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.641 -7.509 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.866 -6.045 -6.033 1.00 0.00 H new ATOM 428 N ASN A 28 -6.499 -7.459 -4.497 1.00 0.00 N ATOM 429 CA ASN A 28 -7.264 -8.436 -3.741 1.00 0.00 C ATOM 430 C ASN A 28 -8.633 -7.874 -3.324 1.00 0.00 C ATOM 431 O ASN A 28 -9.493 -8.599 -2.834 1.00 0.00 O ATOM 432 CB ASN A 28 -6.411 -8.836 -2.503 1.00 0.00 C ATOM 433 CG ASN A 28 -7.089 -9.761 -1.503 1.00 0.00 C ATOM 434 OD1 ASN A 28 -7.685 -9.310 -0.514 1.00 0.00 O ATOM 435 ND2 ASN A 28 -6.984 -11.049 -1.728 1.00 0.00 N ATOM 0 H ASN A 28 -5.729 -7.058 -3.961 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.471 -9.313 -4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.499 -9.318 -2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.111 -7.926 -1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.400 -11.716 -1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.486 -11.384 -2.553 1.00 0.00 H new ATOM 442 N GLY A 29 -8.849 -6.587 -3.572 1.00 0.00 N ATOM 443 CA GLY A 29 -10.094 -5.968 -3.164 1.00 0.00 C ATOM 444 C GLY A 29 -9.998 -5.508 -1.739 1.00 0.00 C ATOM 445 O GLY A 29 -10.983 -5.144 -1.105 1.00 0.00 O ATOM 0 H GLY A 29 -8.191 -5.967 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.318 -5.122 -3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.914 -6.678 -3.271 1.00 0.00 H new ATOM 449 N HIS A 30 -8.795 -5.545 -1.234 1.00 0.00 N ATOM 450 CA HIS A 30 -8.523 -5.185 0.119 1.00 0.00 C ATOM 451 C HIS A 30 -8.346 -3.704 0.135 1.00 0.00 C ATOM 452 O HIS A 30 -7.685 -3.154 -0.750 1.00 0.00 O ATOM 453 CB HIS A 30 -7.210 -5.799 0.571 1.00 0.00 C ATOM 454 CG HIS A 30 -7.040 -5.965 2.057 1.00 0.00 C ATOM 455 ND1 HIS A 30 -7.059 -4.923 2.963 1.00 0.00 N ATOM 456 CD2 HIS A 30 -6.839 -7.082 2.795 1.00 0.00 C ATOM 457 CE1 HIS A 30 -6.883 -5.391 4.169 1.00 0.00 C ATOM 458 NE2 HIS A 30 -6.741 -6.696 4.106 1.00 0.00 N ATOM 0 H HIS A 30 -7.970 -5.830 -1.762 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.328 -5.526 0.769 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.108 -6.777 0.101 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.394 -5.180 0.198 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -7.190 -3.940 2.726 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.769 -8.092 2.419 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.858 -4.801 5.073 1.00 0.00 H new ATOM 467 N GLU A 31 -8.845 -3.081 1.132 1.00 0.00 N ATOM 468 CA GLU A 31 -8.715 -1.678 1.241 1.00 0.00 C ATOM 469 C GLU A 31 -7.534 -1.454 2.124 1.00 0.00 C ATOM 470 O GLU A 31 -7.335 -2.220 3.092 1.00 0.00 O ATOM 471 CB GLU A 31 -10.027 -1.048 1.807 1.00 0.00 C ATOM 472 CG GLU A 31 -10.247 -1.111 3.323 1.00 0.00 C ATOM 473 CD GLU A 31 -9.549 0.034 4.063 1.00 0.00 C ATOM 474 OE1 GLU A 31 -9.639 1.195 3.584 1.00 0.00 O ATOM 475 OE2 GLU A 31 -8.876 -0.218 5.103 1.00 0.00 O ATOM 0 H GLU A 31 -9.355 -3.526 1.895 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.561 -1.195 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.054 -0.001 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.872 -1.540 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.316 -1.078 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.877 -2.064 3.702 1.00 0.00 H new ATOM 482 N ILE A 32 -6.692 -0.548 1.768 1.00 0.00 N ATOM 483 CA ILE A 32 -5.541 -0.286 2.572 1.00 0.00 C ATOM 484 C ILE A 32 -5.294 1.194 2.716 1.00 0.00 C ATOM 485 O ILE A 32 -5.638 2.002 1.856 1.00 0.00 O ATOM 486 CB ILE A 32 -4.226 -1.004 2.079 1.00 0.00 C ATOM 487 CG1 ILE A 32 -3.900 -0.645 0.650 1.00 0.00 C ATOM 488 CG2 ILE A 32 -4.338 -2.515 2.212 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.524 -1.067 0.205 1.00 0.00 C ATOM 0 H ILE A 32 -6.774 0.025 0.928 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.780 -0.714 3.545 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.417 -0.652 2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.639 -1.106 -0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.994 0.434 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.416 -2.980 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.505 -2.777 3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.174 -2.872 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.371 -0.771 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.775 -0.586 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.430 -2.149 0.292 1.00 0.00 H new ATOM 501 N LEU A 33 -4.721 1.546 3.807 1.00 0.00 N ATOM 502 CA LEU A 33 -4.356 2.897 4.054 1.00 0.00 C ATOM 503 C LEU A 33 -2.884 2.869 4.236 1.00 0.00 C ATOM 504 O LEU A 33 -2.370 2.094 5.060 1.00 0.00 O ATOM 505 CB LEU A 33 -5.056 3.438 5.308 1.00 0.00 C ATOM 506 CG LEU A 33 -6.592 3.436 5.276 1.00 0.00 C ATOM 507 CD1 LEU A 33 -7.154 3.920 6.599 1.00 0.00 C ATOM 508 CD2 LEU A 33 -7.115 4.301 4.142 1.00 0.00 C ATOM 0 H LEU A 33 -4.489 0.901 4.563 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.654 3.555 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.730 2.849 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.717 4.460 5.476 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.920 2.410 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.243 3.911 6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.817 3.262 7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.806 4.935 6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.205 4.282 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.770 5.326 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.746 3.917 3.191 1.00 0.00 H new ATOM 520 N ALA A 34 -2.194 3.653 3.488 1.00 0.00 N ATOM 521 CA ALA A 34 -0.779 3.587 3.505 1.00 0.00 C ATOM 522 C ALA A 34 -0.164 4.953 3.607 1.00 0.00 C ATOM 523 O ALA A 34 -0.801 5.963 3.307 1.00 0.00 O ATOM 524 CB ALA A 34 -0.286 2.849 2.275 1.00 0.00 C ATOM 0 H ALA A 34 -2.588 4.349 2.855 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.469 3.035 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.803 2.800 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.694 1.838 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.612 3.377 1.379 1.00 0.00 H new ATOM 530 N HIS A 35 1.049 4.977 4.056 1.00 0.00 N ATOM 531 CA HIS A 35 1.805 6.190 4.208 1.00 0.00 C ATOM 532 C HIS A 35 3.017 6.090 3.304 1.00 0.00 C ATOM 533 O HIS A 35 3.620 5.033 3.203 1.00 0.00 O ATOM 534 CB HIS A 35 2.221 6.337 5.689 1.00 0.00 C ATOM 535 CG HIS A 35 2.985 7.587 6.042 1.00 0.00 C ATOM 536 ND1 HIS A 35 2.379 8.770 6.362 1.00 0.00 N ATOM 537 CD2 HIS A 35 4.308 7.809 6.176 1.00 0.00 C ATOM 538 CE1 HIS A 35 3.273 9.663 6.673 1.00 0.00 C ATOM 539 NE2 HIS A 35 4.465 9.113 6.575 1.00 0.00 N ATOM 0 H HIS A 35 1.558 4.138 4.335 1.00 0.00 H new ATOM 0 HA HIS A 35 1.220 7.067 3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.321 6.300 6.303 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.829 5.475 5.962 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.372 8.930 6.358 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.098 7.093 6.002 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.071 10.684 6.963 1.00 0.00 H new ATOM 548 N VAL A 36 3.366 7.148 2.642 1.00 0.00 N ATOM 549 CA VAL A 36 4.511 7.101 1.751 1.00 0.00 C ATOM 550 C VAL A 36 5.821 7.307 2.486 1.00 0.00 C ATOM 551 O VAL A 36 5.877 7.997 3.523 1.00 0.00 O ATOM 552 CB VAL A 36 4.415 8.065 0.543 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.282 7.665 -0.369 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.255 9.504 0.991 1.00 0.00 C ATOM 0 H VAL A 36 2.890 8.049 2.691 1.00 0.00 H new ATOM 0 HA VAL A 36 4.494 6.090 1.344 1.00 0.00 H new ATOM 0 HB VAL A 36 5.351 7.992 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.232 8.355 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.452 6.654 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.342 7.697 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.191 10.152 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.345 9.602 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.114 9.794 1.596 1.00 0.00 H new ATOM 564 N SER A 37 6.847 6.652 1.990 1.00 0.00 N ATOM 565 CA SER A 37 8.184 6.761 2.516 1.00 0.00 C ATOM 566 C SER A 37 8.695 8.183 2.317 1.00 0.00 C ATOM 567 O SER A 37 8.133 8.954 1.509 1.00 0.00 O ATOM 568 CB SER A 37 9.126 5.778 1.802 1.00 0.00 C ATOM 569 OG SER A 37 9.227 6.096 0.423 1.00 0.00 O ATOM 0 H SER A 37 6.771 6.018 1.195 1.00 0.00 H new ATOM 0 HA SER A 37 8.162 6.520 3.579 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.114 5.813 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.755 4.760 1.920 1.00 0.00 H new ATOM 0 HG SER A 37 8.657 5.490 -0.095 1.00 0.00 H new ATOM 575 N GLY A 38 9.732 8.539 3.060 1.00 0.00 N ATOM 576 CA GLY A 38 10.346 9.853 2.950 1.00 0.00 C ATOM 577 C GLY A 38 10.776 10.217 1.524 1.00 0.00 C ATOM 578 O GLY A 38 10.991 11.383 1.236 1.00 0.00 O ATOM 0 H GLY A 38 10.169 7.930 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.643 10.604 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.217 9.893 3.604 1.00 0.00 H new ATOM 582 N LYS A 39 10.835 9.218 0.619 1.00 0.00 N ATOM 583 CA LYS A 39 11.233 9.457 -0.761 1.00 0.00 C ATOM 584 C LYS A 39 10.212 10.379 -1.423 1.00 0.00 C ATOM 585 O LYS A 39 10.556 11.323 -2.104 1.00 0.00 O ATOM 586 CB LYS A 39 11.255 8.133 -1.543 1.00 0.00 C ATOM 587 CG LYS A 39 12.115 7.029 -0.943 1.00 0.00 C ATOM 588 CD LYS A 39 11.966 5.740 -1.748 1.00 0.00 C ATOM 589 CE LYS A 39 12.711 4.579 -1.108 1.00 0.00 C ATOM 590 NZ LYS A 39 12.538 3.318 -1.884 1.00 0.00 N ATOM 0 H LYS A 39 10.611 8.246 0.830 1.00 0.00 H new ATOM 0 HA LYS A 39 12.226 9.908 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.232 7.766 -1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.608 8.335 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.160 7.339 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.823 6.854 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.909 5.488 -1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.342 5.899 -2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.772 4.821 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.350 4.432 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.654 2.502 -1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.587 3.297 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.252 3.274 -2.639 1.00 0.00 H new ATOM 604 N ILE A 40 8.960 10.099 -1.156 1.00 0.00 N ATOM 605 CA ILE A 40 7.849 10.781 -1.784 1.00 0.00 C ATOM 606 C ILE A 40 7.409 12.005 -0.978 1.00 0.00 C ATOM 607 O ILE A 40 6.771 12.936 -1.501 1.00 0.00 O ATOM 608 CB ILE A 40 6.683 9.778 -1.978 1.00 0.00 C ATOM 609 CG1 ILE A 40 7.167 8.603 -2.843 1.00 0.00 C ATOM 610 CG2 ILE A 40 5.459 10.435 -2.598 1.00 0.00 C ATOM 611 CD1 ILE A 40 6.140 7.527 -3.067 1.00 0.00 C ATOM 0 H ILE A 40 8.678 9.382 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 40 8.166 11.152 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 40 6.378 9.413 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.487 8.989 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.043 8.158 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.668 9.694 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.110 11.239 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.720 10.843 -3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.568 6.739 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.836 7.109 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.271 7.952 -3.569 1.00 0.00 H new ATOM 623 N ARG A 41 7.754 12.020 0.280 1.00 0.00 N ATOM 624 CA ARG A 41 7.368 13.133 1.107 1.00 0.00 C ATOM 625 C ARG A 41 8.316 14.295 0.843 1.00 0.00 C ATOM 626 O ARG A 41 7.884 15.420 0.609 1.00 0.00 O ATOM 627 CB ARG A 41 7.444 12.765 2.584 1.00 0.00 C ATOM 628 CG ARG A 41 6.715 11.493 2.958 1.00 0.00 C ATOM 629 CD ARG A 41 6.682 11.285 4.462 1.00 0.00 C ATOM 630 NE ARG A 41 5.617 12.080 5.117 1.00 0.00 N ATOM 631 CZ ARG A 41 5.649 12.561 6.370 1.00 0.00 C ATOM 632 NH1 ARG A 41 6.812 12.653 7.030 1.00 0.00 N ATOM 633 NH2 ARG A 41 4.518 12.993 6.943 1.00 0.00 N ATOM 0 H ARG A 41 8.291 11.291 0.749 1.00 0.00 H new ATOM 0 HA ARG A 41 6.341 13.408 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.492 12.663 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.035 13.588 3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.696 11.531 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.203 10.641 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.527 10.228 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.649 11.558 4.885 1.00 0.00 H new ATOM 0 HE ARG A 41 4.783 12.280 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.678 12.357 6.580 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.831 13.019 7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.639 12.955 6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.536 13.359 7.895 1.00 0.00 H new ATOM 647 N MET A 42 9.609 14.000 0.862 1.00 0.00 N ATOM 648 CA MET A 42 10.635 15.005 0.646 1.00 0.00 C ATOM 649 C MET A 42 10.795 15.397 -0.821 1.00 0.00 C ATOM 650 O MET A 42 10.842 16.583 -1.146 1.00 0.00 O ATOM 651 CB MET A 42 11.988 14.588 1.252 1.00 0.00 C ATOM 652 CG MET A 42 12.078 14.662 2.787 1.00 0.00 C ATOM 653 SD MET A 42 10.939 13.560 3.679 1.00 0.00 S ATOM 654 CE MET A 42 11.374 13.957 5.372 1.00 0.00 C ATOM 0 H MET A 42 9.972 13.061 1.027 1.00 0.00 H new ATOM 0 HA MET A 42 10.287 15.893 1.173 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.206 13.566 0.942 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.767 15.222 0.829 1.00 0.00 H new ATOM 0 HG2 MET A 42 13.099 14.425 3.088 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.884 15.689 3.098 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.764 13.364 6.053 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.427 13.732 5.539 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.196 15.017 5.554 1.00 0.00 H new ATOM 664 N ASN A 43 10.839 14.414 -1.710 1.00 0.00 N ATOM 665 CA ASN A 43 11.063 14.702 -3.126 1.00 0.00 C ATOM 666 C ASN A 43 9.710 14.942 -3.784 1.00 0.00 C ATOM 667 O ASN A 43 8.690 14.533 -3.260 1.00 0.00 O ATOM 668 CB ASN A 43 11.827 13.539 -3.813 1.00 0.00 C ATOM 669 CG ASN A 43 12.495 13.895 -5.156 1.00 0.00 C ATOM 670 OD1 ASN A 43 12.055 14.765 -5.895 1.00 0.00 O ATOM 671 ND2 ASN A 43 13.567 13.210 -5.473 1.00 0.00 N ATOM 0 H ASN A 43 10.725 13.426 -1.485 1.00 0.00 H new ATOM 0 HA ASN A 43 11.683 15.592 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.594 13.175 -3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.131 12.716 -3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.051 13.398 -6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.917 12.489 -4.842 1.00 0.00 H new ATOM 761 N LEU A 48 -0.400 10.646 -7.058 1.00 0.00 N ATOM 762 CA LEU A 48 -1.626 11.174 -7.574 1.00 0.00 C ATOM 763 C LEU A 48 -2.615 10.005 -7.699 1.00 0.00 C ATOM 764 O LEU A 48 -2.198 8.897 -8.025 1.00 0.00 O ATOM 765 CB LEU A 48 -1.365 11.788 -8.961 1.00 0.00 C ATOM 766 CG LEU A 48 -2.531 12.534 -9.622 1.00 0.00 C ATOM 767 CD1 LEU A 48 -2.844 13.827 -8.876 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.227 12.813 -11.085 1.00 0.00 C ATOM 0 HA LEU A 48 -2.030 11.945 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.527 12.479 -8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.050 10.989 -9.632 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.414 11.897 -9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.674 14.337 -9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.116 13.596 -7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.966 14.473 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.066 13.343 -11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.329 13.426 -11.160 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.068 11.871 -11.610 1.00 0.00 H new ATOM 780 N PRO A 49 -3.907 10.185 -7.332 1.00 0.00 N ATOM 781 CA PRO A 49 -4.928 9.151 -7.544 1.00 0.00 C ATOM 782 C PRO A 49 -4.861 8.590 -8.970 1.00 0.00 C ATOM 783 O PRO A 49 -4.841 9.343 -9.949 1.00 0.00 O ATOM 784 CB PRO A 49 -6.230 9.911 -7.322 1.00 0.00 C ATOM 785 CG PRO A 49 -5.871 10.932 -6.308 1.00 0.00 C ATOM 786 CD PRO A 49 -4.471 11.369 -6.664 1.00 0.00 C ATOM 0 HA PRO A 49 -4.809 8.290 -6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.588 10.370 -8.243 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.022 9.253 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.564 11.773 -6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.910 10.517 -5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.476 12.238 -7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.897 11.643 -5.778 1.00 0.00 H new ATOM 794 N GLY A 50 -4.842 7.288 -9.065 1.00 0.00 N ATOM 795 CA GLY A 50 -4.659 6.624 -10.325 1.00 0.00 C ATOM 796 C GLY A 50 -3.283 5.990 -10.425 1.00 0.00 C ATOM 797 O GLY A 50 -3.070 5.100 -11.248 1.00 0.00 O ATOM 0 H GLY A 50 -4.953 6.658 -8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.424 5.857 -10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.791 7.339 -11.137 1.00 0.00 H new ATOM 801 N ASP A 51 -2.354 6.435 -9.576 1.00 0.00 N ATOM 802 CA ASP A 51 -1.007 5.846 -9.533 1.00 0.00 C ATOM 803 C ASP A 51 -1.027 4.433 -8.995 1.00 0.00 C ATOM 804 O ASP A 51 -1.880 4.061 -8.156 1.00 0.00 O ATOM 805 CB ASP A 51 -0.001 6.657 -8.681 1.00 0.00 C ATOM 806 CG ASP A 51 0.613 7.856 -9.372 1.00 0.00 C ATOM 807 OD1 ASP A 51 1.010 7.733 -10.548 1.00 0.00 O ATOM 808 OD2 ASP A 51 0.844 8.898 -8.700 1.00 0.00 O ATOM 0 H ASP A 51 -2.504 7.195 -8.913 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.676 5.858 -10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.507 6.999 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.801 5.991 -8.364 1.00 0.00 H new ATOM 813 N LYS A 52 -0.084 3.652 -9.455 1.00 0.00 N ATOM 814 CA LYS A 52 0.099 2.311 -8.986 1.00 0.00 C ATOM 815 C LYS A 52 1.344 2.319 -8.107 1.00 0.00 C ATOM 816 O LYS A 52 2.407 2.812 -8.530 1.00 0.00 O ATOM 817 CB LYS A 52 0.304 1.341 -10.160 1.00 0.00 C ATOM 818 CG LYS A 52 0.196 -0.123 -9.759 1.00 0.00 C ATOM 819 CD LYS A 52 0.678 -1.068 -10.854 1.00 0.00 C ATOM 820 CE LYS A 52 0.407 -2.509 -10.454 1.00 0.00 C ATOM 821 NZ LYS A 52 1.197 -3.495 -11.236 1.00 0.00 N ATOM 0 H LYS A 52 0.583 3.936 -10.173 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.781 1.979 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.436 1.554 -10.932 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.285 1.518 -10.601 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.781 -0.292 -8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.841 -0.354 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.170 -0.841 -11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.745 -0.924 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.631 -2.633 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.655 -2.721 -10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.859 -4.456 -11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.084 -3.303 -12.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.202 -3.417 -10.979 1.00 0.00 H new ATOM 835 N VAL A 53 1.234 1.810 -6.909 1.00 0.00 N ATOM 836 CA VAL A 53 2.350 1.840 -5.978 1.00 0.00 C ATOM 837 C VAL A 53 2.600 0.481 -5.356 1.00 0.00 C ATOM 838 O VAL A 53 1.717 -0.400 -5.373 1.00 0.00 O ATOM 839 CB VAL A 53 2.151 2.885 -4.839 1.00 0.00 C ATOM 840 CG1 VAL A 53 2.078 4.298 -5.394 1.00 0.00 C ATOM 841 CG2 VAL A 53 0.902 2.575 -4.019 1.00 0.00 C ATOM 0 H VAL A 53 0.388 1.369 -6.547 1.00 0.00 H new ATOM 0 HA VAL A 53 3.216 2.133 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 53 3.019 2.819 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.939 5.004 -4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.004 4.531 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.239 4.374 -6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.789 3.321 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.026 2.597 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.997 1.586 -3.571 1.00 0.00 H new ATOM 851 N THR A 54 3.782 0.328 -4.822 1.00 0.00 N ATOM 852 CA THR A 54 4.190 -0.858 -4.133 1.00 0.00 C ATOM 853 C THR A 54 4.105 -0.569 -2.624 1.00 0.00 C ATOM 854 O THR A 54 4.663 0.440 -2.142 1.00 0.00 O ATOM 855 CB THR A 54 5.645 -1.193 -4.521 1.00 0.00 C ATOM 856 OG1 THR A 54 5.781 -1.086 -5.958 1.00 0.00 O ATOM 857 CG2 THR A 54 6.004 -2.610 -4.090 1.00 0.00 C ATOM 0 H THR A 54 4.505 1.047 -4.857 1.00 0.00 H new ATOM 0 HA THR A 54 3.553 -1.703 -4.395 1.00 0.00 H new ATOM 0 HB THR A 54 6.316 -0.495 -4.020 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.703 -1.295 -6.216 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.034 -2.826 -4.373 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.898 -2.699 -3.009 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.337 -3.319 -4.580 1.00 0.00 H new ATOM 865 N VAL A 55 3.381 -1.394 -1.902 1.00 0.00 N ATOM 866 CA VAL A 55 3.189 -1.184 -0.487 1.00 0.00 C ATOM 867 C VAL A 55 3.827 -2.314 0.329 1.00 0.00 C ATOM 868 O VAL A 55 3.651 -3.489 0.010 1.00 0.00 O ATOM 869 CB VAL A 55 1.658 -1.034 -0.128 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.855 -2.312 -0.406 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.464 -0.576 1.309 1.00 0.00 C ATOM 0 H VAL A 55 2.914 -2.220 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 55 3.687 -0.250 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 55 1.265 -0.262 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.190 -2.150 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.926 -2.563 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.258 -3.132 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.399 -0.484 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.907 -1.306 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.947 0.391 1.451 1.00 0.00 H new ATOM 881 N GLU A 56 4.559 -1.948 1.359 1.00 0.00 N ATOM 882 CA GLU A 56 5.161 -2.898 2.263 1.00 0.00 C ATOM 883 C GLU A 56 4.204 -3.049 3.427 1.00 0.00 C ATOM 884 O GLU A 56 3.709 -2.050 3.976 1.00 0.00 O ATOM 885 CB GLU A 56 6.544 -2.396 2.766 1.00 0.00 C ATOM 886 CG GLU A 56 6.474 -1.119 3.602 1.00 0.00 C ATOM 887 CD GLU A 56 7.802 -0.568 4.038 1.00 0.00 C ATOM 888 OE1 GLU A 56 8.394 -1.068 5.008 1.00 0.00 O ATOM 889 OE2 GLU A 56 8.228 0.453 3.483 1.00 0.00 O ATOM 0 H GLU A 56 4.753 -0.974 1.593 1.00 0.00 H new ATOM 0 HA GLU A 56 5.333 -3.850 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.010 -3.182 3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.190 -2.220 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.953 -0.355 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.871 -1.316 4.489 1.00 0.00 H new ATOM 896 N MET A 57 3.837 -4.249 3.732 1.00 0.00 N ATOM 897 CA MET A 57 2.927 -4.468 4.814 1.00 0.00 C ATOM 898 C MET A 57 3.418 -5.573 5.684 1.00 0.00 C ATOM 899 O MET A 57 4.171 -6.456 5.242 1.00 0.00 O ATOM 900 CB MET A 57 1.531 -4.819 4.330 1.00 0.00 C ATOM 901 CG MET A 57 1.207 -4.318 2.934 1.00 0.00 C ATOM 902 SD MET A 57 -0.540 -4.391 2.540 1.00 0.00 S ATOM 903 CE MET A 57 -1.153 -3.226 3.732 1.00 0.00 C ATOM 0 H MET A 57 4.150 -5.092 3.251 1.00 0.00 H new ATOM 0 HA MET A 57 2.874 -3.534 5.373 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.414 -5.903 4.350 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.803 -4.407 5.029 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.551 -3.288 2.836 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.761 -4.910 2.206 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.213 -3.047 3.554 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.017 -3.627 4.736 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.606 -2.288 3.639 1.00 0.00 H new ATOM 913 N SER A 58 3.001 -5.524 6.897 1.00 0.00 N ATOM 914 CA SER A 58 3.332 -6.509 7.873 1.00 0.00 C ATOM 915 C SER A 58 2.359 -7.681 7.709 1.00 0.00 C ATOM 916 O SER A 58 1.166 -7.452 7.536 1.00 0.00 O ATOM 917 CB SER A 58 3.172 -5.885 9.261 1.00 0.00 C ATOM 918 OG SER A 58 3.893 -4.667 9.343 1.00 0.00 O ATOM 0 H SER A 58 2.403 -4.778 7.253 1.00 0.00 H new ATOM 0 HA SER A 58 4.356 -6.861 7.751 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.117 -5.704 9.466 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.530 -6.579 10.022 1.00 0.00 H new ATOM 0 HG SER A 58 3.780 -4.279 10.236 1.00 0.00 H new ATOM 924 N PRO A 59 2.836 -8.946 7.763 1.00 0.00 N ATOM 925 CA PRO A 59 1.965 -10.144 7.620 1.00 0.00 C ATOM 926 C PRO A 59 0.935 -10.257 8.752 1.00 0.00 C ATOM 927 O PRO A 59 -0.023 -11.003 8.662 1.00 0.00 O ATOM 928 CB PRO A 59 2.951 -11.321 7.694 1.00 0.00 C ATOM 929 CG PRO A 59 4.285 -10.735 7.397 1.00 0.00 C ATOM 930 CD PRO A 59 4.254 -9.330 7.922 1.00 0.00 C ATOM 0 HA PRO A 59 1.384 -10.108 6.698 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.936 -11.785 8.680 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.693 -12.096 6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.078 -11.311 7.874 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.484 -10.745 6.325 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.571 -9.282 8.964 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.916 -8.673 7.357 1.00 0.00 H new ATOM 938 N TYR A 60 1.157 -9.502 9.807 1.00 0.00 N ATOM 939 CA TYR A 60 0.278 -9.492 10.960 1.00 0.00 C ATOM 940 C TYR A 60 -0.804 -8.401 10.797 1.00 0.00 C ATOM 941 O TYR A 60 -1.716 -8.296 11.601 1.00 0.00 O ATOM 942 CB TYR A 60 1.126 -9.262 12.236 1.00 0.00 C ATOM 943 CG TYR A 60 0.366 -9.332 13.551 1.00 0.00 C ATOM 944 CD1 TYR A 60 -0.035 -10.553 14.080 1.00 0.00 C ATOM 945 CD2 TYR A 60 0.051 -8.176 14.260 1.00 0.00 C ATOM 946 CE1 TYR A 60 -0.728 -10.622 15.273 1.00 0.00 C ATOM 947 CE2 TYR A 60 -0.642 -8.238 15.452 1.00 0.00 C ATOM 948 CZ TYR A 60 -1.029 -9.462 15.954 1.00 0.00 C ATOM 949 OH TYR A 60 -1.718 -9.526 17.145 1.00 0.00 O ATOM 0 H TYR A 60 1.956 -8.874 9.891 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.234 -10.450 11.047 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.925 -10.004 12.259 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.601 -8.284 12.163 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.199 -11.464 13.549 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.354 -7.215 13.871 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.032 -11.579 15.670 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.880 -7.332 15.989 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.848 -8.621 17.497 1.00 0.00 H new ATOM 959 N ASP A 61 -0.695 -7.618 9.736 1.00 0.00 N ATOM 960 CA ASP A 61 -1.637 -6.523 9.499 1.00 0.00 C ATOM 961 C ASP A 61 -2.268 -6.668 8.108 1.00 0.00 C ATOM 962 O ASP A 61 -3.419 -7.084 7.962 1.00 0.00 O ATOM 963 CB ASP A 61 -0.930 -5.139 9.637 1.00 0.00 C ATOM 964 CG ASP A 61 -1.871 -4.009 9.449 1.00 0.00 C ATOM 965 OD1 ASP A 61 -2.093 -3.673 8.308 1.00 0.00 O ATOM 966 OD2 ASP A 61 -2.366 -3.447 10.418 1.00 0.00 O ATOM 0 H ASP A 61 0.030 -7.715 9.025 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.423 -6.574 10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.468 -5.065 10.622 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.128 -5.068 8.903 1.00 0.00 H new ATOM 971 N LEU A 62 -1.468 -6.345 7.094 1.00 0.00 N ATOM 972 CA LEU A 62 -1.819 -6.420 5.670 1.00 0.00 C ATOM 973 C LEU A 62 -3.048 -5.530 5.323 1.00 0.00 C ATOM 974 O LEU A 62 -3.757 -5.764 4.325 1.00 0.00 O ATOM 975 CB LEU A 62 -2.049 -7.878 5.227 1.00 0.00 C ATOM 976 CG LEU A 62 -1.917 -8.148 3.715 1.00 0.00 C ATOM 977 CD1 LEU A 62 -0.462 -8.040 3.278 1.00 0.00 C ATOM 978 CD2 LEU A 62 -2.497 -9.503 3.349 1.00 0.00 C ATOM 0 H LEU A 62 -0.517 -6.009 7.244 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.969 -6.027 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.338 -8.515 5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.046 -8.182 5.546 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.490 -7.389 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.388 -8.234 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.091 -7.037 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.136 -8.771 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.390 -9.667 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.964 -10.285 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.553 -9.531 3.617 1.00 0.00 H new ATOM 990 N THR A 63 -3.286 -4.516 6.120 1.00 0.00 N ATOM 991 CA THR A 63 -4.324 -3.572 5.838 1.00 0.00 C ATOM 992 C THR A 63 -3.744 -2.118 5.872 1.00 0.00 C ATOM 993 O THR A 63 -4.301 -1.178 5.290 1.00 0.00 O ATOM 994 CB THR A 63 -5.557 -3.766 6.806 1.00 0.00 C ATOM 995 OG1 THR A 63 -6.721 -3.116 6.269 1.00 0.00 O ATOM 996 CG2 THR A 63 -5.303 -3.226 8.202 1.00 0.00 C ATOM 0 H THR A 63 -2.765 -4.328 6.976 1.00 0.00 H new ATOM 0 HA THR A 63 -4.705 -3.749 4.832 1.00 0.00 H new ATOM 0 HB THR A 63 -5.717 -4.841 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.478 -3.245 6.878 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.185 -3.388 8.821 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.451 -3.743 8.643 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.090 -2.158 8.146 1.00 0.00 H new ATOM 1004 N ARG A 64 -2.632 -1.964 6.542 1.00 0.00 N ATOM 1005 CA ARG A 64 -1.909 -0.732 6.699 1.00 0.00 C ATOM 1006 C ARG A 64 -0.468 -0.971 6.253 1.00 0.00 C ATOM 1007 O ARG A 64 0.083 -2.046 6.495 1.00 0.00 O ATOM 1008 CB ARG A 64 -1.935 -0.330 8.188 1.00 0.00 C ATOM 1009 CG ARG A 64 -3.345 -0.170 8.787 1.00 0.00 C ATOM 1010 CD ARG A 64 -4.259 0.676 7.891 1.00 0.00 C ATOM 1011 NE ARG A 64 -5.689 0.630 8.301 1.00 0.00 N ATOM 1012 CZ ARG A 64 -6.736 0.410 7.443 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -6.524 0.005 6.208 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -7.991 0.530 7.847 1.00 0.00 N ATOM 0 H ARG A 64 -2.181 -2.743 7.021 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.356 0.064 6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.394 -1.082 8.763 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.396 0.610 8.306 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.791 -1.154 8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.270 0.295 9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.916 1.711 7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.172 0.328 6.862 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.905 0.772 9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.571 -0.149 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.313 -0.155 5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.193 0.790 8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.756 0.362 7.193 1.00 0.00 H new ATOM 1028 N GLY A 65 0.133 -0.011 5.582 1.00 0.00 N ATOM 1029 CA GLY A 65 1.478 -0.221 5.095 1.00 0.00 C ATOM 1030 C GLY A 65 2.167 1.061 4.684 1.00 0.00 C ATOM 1031 O GLY A 65 1.654 2.168 4.937 1.00 0.00 O ATOM 0 H GLY A 65 -0.275 0.898 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.067 -0.710 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.448 -0.900 4.243 1.00 0.00 H new ATOM 1035 N ARG A 66 3.303 0.926 4.041 1.00 0.00 N ATOM 1036 CA ARG A 66 4.062 2.057 3.561 1.00 0.00 C ATOM 1037 C ARG A 66 4.448 1.851 2.106 1.00 0.00 C ATOM 1038 O ARG A 66 4.629 0.736 1.667 1.00 0.00 O ATOM 1039 CB ARG A 66 5.319 2.312 4.428 1.00 0.00 C ATOM 1040 CG ARG A 66 6.256 3.375 3.845 1.00 0.00 C ATOM 1041 CD ARG A 66 7.443 3.668 4.723 1.00 0.00 C ATOM 1042 NE ARG A 66 8.194 2.462 5.056 1.00 0.00 N ATOM 1043 CZ ARG A 66 8.948 2.232 6.138 1.00 0.00 C ATOM 1044 NH1 ARG A 66 9.222 3.218 7.005 1.00 0.00 N ATOM 1045 NH2 ARG A 66 9.427 1.007 6.346 1.00 0.00 N ATOM 0 H ARG A 66 3.729 0.023 3.835 1.00 0.00 H new ATOM 0 HA ARG A 66 3.429 2.941 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.006 2.622 5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.868 1.377 4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.608 3.043 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.695 4.296 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.101 4.375 4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.104 4.148 5.641 1.00 0.00 H new ATOM 0 HE ARG A 66 8.137 1.700 4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.855 4.156 6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.798 3.030 7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.218 0.259 5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.003 0.817 7.166 1.00 0.00 H new ATOM 1059 N ILE A 67 4.516 2.926 1.366 1.00 0.00 N ATOM 1060 CA ILE A 67 4.941 2.879 -0.013 1.00 0.00 C ATOM 1061 C ILE A 67 6.456 2.854 -0.104 1.00 0.00 C ATOM 1062 O ILE A 67 7.146 3.798 0.361 1.00 0.00 O ATOM 1063 CB ILE A 67 4.383 4.064 -0.859 1.00 0.00 C ATOM 1064 CG1 ILE A 67 2.907 3.881 -1.180 1.00 0.00 C ATOM 1065 CG2 ILE A 67 5.185 4.289 -2.116 1.00 0.00 C ATOM 1066 CD1 ILE A 67 1.982 4.081 -0.009 1.00 0.00 C ATOM 0 H ILE A 67 4.279 3.860 1.700 1.00 0.00 H new ATOM 0 HA ILE A 67 4.531 1.959 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 67 4.481 4.959 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.631 4.581 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.757 2.877 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.761 5.124 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.218 4.516 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.157 3.390 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.951 3.931 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.226 3.363 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.098 5.094 0.378 1.00 0.00 H new ATOM 1078 N THR A 68 6.962 1.818 -0.710 1.00 0.00 N ATOM 1079 CA THR A 68 8.381 1.660 -0.884 1.00 0.00 C ATOM 1080 C THR A 68 8.818 2.175 -2.250 1.00 0.00 C ATOM 1081 O THR A 68 9.978 2.642 -2.428 1.00 0.00 O ATOM 1082 CB THR A 68 8.736 0.176 -0.815 1.00 0.00 C ATOM 1083 OG1 THR A 68 7.853 -0.552 -1.684 1.00 0.00 O ATOM 1084 CG2 THR A 68 8.614 -0.350 0.583 1.00 0.00 C ATOM 0 H THR A 68 6.404 1.058 -1.098 1.00 0.00 H new ATOM 0 HA THR A 68 8.884 2.224 -0.098 1.00 0.00 H new ATOM 0 HB THR A 68 9.772 0.049 -1.131 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.102 -1.500 -1.684 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.873 -1.409 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.291 0.198 1.238 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.589 -0.223 0.931 1.00 0.00 H new ATOM 1092 N TYR A 69 7.888 2.172 -3.181 1.00 0.00 N ATOM 1093 CA TYR A 69 8.147 2.532 -4.540 1.00 0.00 C ATOM 1094 C TYR A 69 6.858 2.956 -5.222 1.00 0.00 C ATOM 1095 O TYR A 69 5.773 2.476 -4.883 1.00 0.00 O ATOM 1096 CB TYR A 69 8.742 1.307 -5.255 1.00 0.00 C ATOM 1097 CG TYR A 69 9.071 1.494 -6.731 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.104 2.329 -7.143 1.00 0.00 C ATOM 1099 CD2 TYR A 69 8.335 0.833 -7.709 1.00 0.00 C ATOM 1100 CE1 TYR A 69 10.392 2.498 -8.488 1.00 0.00 C ATOM 1101 CE2 TYR A 69 8.616 0.998 -9.050 1.00 0.00 C ATOM 1102 CZ TYR A 69 9.643 1.827 -9.437 1.00 0.00 C ATOM 1103 OH TYR A 69 9.917 1.995 -10.780 1.00 0.00 O ATOM 0 H TYR A 69 6.918 1.914 -3.002 1.00 0.00 H new ATOM 0 HA TYR A 69 8.846 3.368 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.653 1.013 -4.734 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.040 0.479 -5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.691 2.854 -6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.529 0.178 -7.413 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.197 3.150 -8.793 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.031 0.477 -9.794 1.00 0.00 H new ATOM 0 HH TYR A 69 9.298 1.451 -11.311 1.00 0.00 H new ATOM 1113 N ARG A 70 6.981 3.864 -6.147 1.00 0.00 N ATOM 1114 CA ARG A 70 5.886 4.289 -6.961 1.00 0.00 C ATOM 1115 C ARG A 70 6.267 4.014 -8.386 1.00 0.00 C ATOM 1116 O ARG A 70 7.428 4.216 -8.755 1.00 0.00 O ATOM 1117 CB ARG A 70 5.565 5.784 -6.791 1.00 0.00 C ATOM 1118 CG ARG A 70 6.704 6.753 -7.138 1.00 0.00 C ATOM 1119 CD ARG A 70 6.144 8.042 -7.725 1.00 0.00 C ATOM 1120 NE ARG A 70 5.440 7.751 -8.985 1.00 0.00 N ATOM 1121 CZ ARG A 70 4.181 8.112 -9.284 1.00 0.00 C ATOM 1122 NH1 ARG A 70 3.530 9.014 -8.552 1.00 0.00 N ATOM 1123 NH2 ARG A 70 3.603 7.598 -10.352 1.00 0.00 N ATOM 0 H ARG A 70 7.861 4.336 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 70 4.989 3.746 -6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.705 6.025 -7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.267 5.958 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.286 6.976 -6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.383 6.286 -7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.461 8.509 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.952 8.752 -7.904 1.00 0.00 H new ATOM 0 HE ARG A 70 5.954 7.229 -9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.987 9.444 -7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.574 9.275 -8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.111 6.936 -10.938 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.648 7.862 -10.592 1.00 0.00 H new