USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 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 39 LYS NZ :NH3+ -168:sc= 1.13 (180deg=-0.419) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.00388 K(o=1.1,f=-7.4!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 28:sc= 0.0875 USER MOD Single : A 19 ASN : amide:sc= -0.206 K(o=-0.21,f=-0.85) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= -0.53 (180deg=-0.579) USER MOD Single : A 28 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.019) USER MOD Single : A 30 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-2.4!) USER MOD Single : A 35 HIS : no HE2:sc= 0.897 K(o=0.9,f=-4.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= 0.0205! (180deg=-1.13!) USER MOD Single : A 54 THR OG1 : rot -29:sc= 0.804 USER MOD Single : A 57 MET CE :methyl -112:sc= -1.97! (180deg=-4.88!) USER MOD Single : A 58 SER OG : rot 103:sc= 0.861 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -103:sc= 1.22 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 6 7.851 -9.033 6.253 1.00 0.00 N ATOM 82 CA VAL A 6 7.044 -7.983 5.744 1.00 0.00 C ATOM 83 C VAL A 6 6.589 -8.539 4.399 1.00 0.00 C ATOM 84 O VAL A 6 7.329 -9.296 3.784 1.00 0.00 O ATOM 85 CB VAL A 6 7.875 -6.675 5.514 1.00 0.00 C ATOM 86 CG1 VAL A 6 7.002 -5.547 4.980 1.00 0.00 C ATOM 87 CG2 VAL A 6 8.577 -6.233 6.793 1.00 0.00 C ATOM 0 HA VAL A 6 6.235 -7.710 6.421 1.00 0.00 H new ATOM 0 HB VAL A 6 8.633 -6.906 4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.611 -4.655 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.561 -5.847 4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.209 -5.331 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.145 -5.323 6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.835 -6.040 7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.254 -7.019 7.127 1.00 0.00 H new ATOM 97 N ILE A 7 5.406 -8.259 3.989 1.00 0.00 N ATOM 98 CA ILE A 7 4.905 -8.787 2.744 1.00 0.00 C ATOM 99 C ILE A 7 4.910 -7.668 1.718 1.00 0.00 C ATOM 100 O ILE A 7 4.564 -6.517 2.051 1.00 0.00 O ATOM 101 CB ILE A 7 3.451 -9.339 2.917 1.00 0.00 C ATOM 102 CG1 ILE A 7 3.370 -10.358 4.079 1.00 0.00 C ATOM 103 CG2 ILE A 7 2.943 -9.977 1.625 1.00 0.00 C ATOM 104 CD1 ILE A 7 4.246 -11.592 3.911 1.00 0.00 C ATOM 0 H ILE A 7 4.750 -7.662 4.493 1.00 0.00 H new ATOM 0 HA ILE A 7 5.540 -9.611 2.417 1.00 0.00 H new ATOM 0 HB ILE A 7 2.812 -8.490 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.650 -9.855 5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.334 -10.678 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.931 -10.351 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.939 -9.233 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.597 -10.803 1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.122 -12.246 4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.954 -12.125 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.290 -11.289 3.833 1.00 0.00 H new ATOM 116 N GLU A 8 5.292 -7.978 0.500 1.00 0.00 N ATOM 117 CA GLU A 8 5.318 -6.989 -0.541 1.00 0.00 C ATOM 118 C GLU A 8 4.076 -7.182 -1.393 1.00 0.00 C ATOM 119 O GLU A 8 3.891 -8.229 -2.015 1.00 0.00 O ATOM 120 CB GLU A 8 6.563 -7.148 -1.442 1.00 0.00 C ATOM 121 CG GLU A 8 7.859 -7.532 -0.724 1.00 0.00 C ATOM 122 CD GLU A 8 8.101 -9.040 -0.723 1.00 0.00 C ATOM 123 OE1 GLU A 8 7.497 -9.784 0.086 1.00 0.00 O ATOM 124 OE2 GLU A 8 8.915 -9.519 -1.545 1.00 0.00 O ATOM 0 H GLU A 8 5.588 -8.910 0.210 1.00 0.00 H new ATOM 0 HA GLU A 8 5.351 -5.998 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.349 -7.906 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.727 -6.210 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.699 -7.033 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.821 -7.172 0.304 1.00 0.00 H new ATOM 131 N LEU A 9 3.223 -6.195 -1.401 1.00 0.00 N ATOM 132 CA LEU A 9 1.988 -6.264 -2.133 1.00 0.00 C ATOM 133 C LEU A 9 1.882 -5.118 -3.110 1.00 0.00 C ATOM 134 O LEU A 9 2.575 -4.114 -2.988 1.00 0.00 O ATOM 135 CB LEU A 9 0.753 -6.279 -1.202 1.00 0.00 C ATOM 136 CG LEU A 9 0.599 -7.479 -0.248 1.00 0.00 C ATOM 137 CD1 LEU A 9 -0.712 -7.384 0.508 1.00 0.00 C ATOM 138 CD2 LEU A 9 0.669 -8.797 -1.010 1.00 0.00 C ATOM 0 H LEU A 9 3.365 -5.318 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 9 1.999 -7.206 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.774 -5.371 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.140 -6.228 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 9 1.424 -7.452 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.808 -8.238 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.731 -6.462 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.541 -7.383 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.558 -9.627 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.132 -8.833 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.632 -8.875 -1.515 1.00 0.00 H new ATOM 150 N GLU A 10 1.023 -5.282 -4.057 1.00 0.00 N ATOM 151 CA GLU A 10 0.767 -4.298 -5.067 1.00 0.00 C ATOM 152 C GLU A 10 -0.591 -3.682 -4.830 1.00 0.00 C ATOM 153 O GLU A 10 -1.506 -4.355 -4.306 1.00 0.00 O ATOM 154 CB GLU A 10 0.799 -4.966 -6.437 1.00 0.00 C ATOM 155 CG GLU A 10 2.175 -5.068 -7.059 1.00 0.00 C ATOM 156 CD GLU A 10 2.661 -3.716 -7.509 1.00 0.00 C ATOM 157 OE1 GLU A 10 2.086 -3.189 -8.494 1.00 0.00 O ATOM 158 OE2 GLU A 10 3.564 -3.157 -6.881 1.00 0.00 O ATOM 0 H GLU A 10 0.460 -6.127 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 10 1.528 -3.519 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.381 -5.968 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.150 -4.409 -7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.875 -5.489 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.145 -5.750 -7.909 1.00 0.00 H new ATOM 165 N GLY A 11 -0.719 -2.420 -5.151 1.00 0.00 N ATOM 166 CA GLY A 11 -1.978 -1.759 -5.018 1.00 0.00 C ATOM 167 C GLY A 11 -2.087 -0.569 -5.928 1.00 0.00 C ATOM 168 O GLY A 11 -1.113 -0.167 -6.569 1.00 0.00 O ATOM 0 H GLY A 11 0.038 -1.835 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.781 -2.461 -5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.112 -1.439 -3.985 1.00 0.00 H new ATOM 172 N THR A 12 -3.246 -0.010 -5.978 1.00 0.00 N ATOM 173 CA THR A 12 -3.527 1.143 -6.780 1.00 0.00 C ATOM 174 C THR A 12 -4.213 2.170 -5.891 1.00 0.00 C ATOM 175 O THR A 12 -5.186 1.856 -5.217 1.00 0.00 O ATOM 176 CB THR A 12 -4.478 0.758 -7.910 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.958 -0.407 -8.597 1.00 0.00 O ATOM 178 CG2 THR A 12 -4.629 1.905 -8.903 1.00 0.00 C ATOM 0 H THR A 12 -4.051 -0.347 -5.450 1.00 0.00 H new ATOM 0 HA THR A 12 -2.606 1.544 -7.204 1.00 0.00 H new ATOM 0 HB THR A 12 -5.456 0.536 -7.483 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.567 -0.658 -9.322 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.311 1.609 -9.700 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.028 2.780 -8.390 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.656 2.147 -9.330 1.00 0.00 H new ATOM 186 N VAL A 13 -3.704 3.358 -5.860 1.00 0.00 N ATOM 187 CA VAL A 13 -4.258 4.372 -4.996 1.00 0.00 C ATOM 188 C VAL A 13 -5.352 5.155 -5.681 1.00 0.00 C ATOM 189 O VAL A 13 -5.180 5.614 -6.799 1.00 0.00 O ATOM 190 CB VAL A 13 -3.170 5.283 -4.380 1.00 0.00 C ATOM 191 CG1 VAL A 13 -2.262 5.828 -5.423 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.769 6.398 -3.543 1.00 0.00 C ATOM 0 H VAL A 13 -2.906 3.659 -6.419 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.723 3.853 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.577 4.659 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.510 6.463 -4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.770 5.006 -5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.839 6.415 -6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.969 7.013 -3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.415 7.015 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.353 5.968 -2.729 1.00 0.00 H new ATOM 202 N LEU A 14 -6.472 5.287 -5.028 1.00 0.00 N ATOM 203 CA LEU A 14 -7.580 6.008 -5.609 1.00 0.00 C ATOM 204 C LEU A 14 -7.710 7.409 -5.046 1.00 0.00 C ATOM 205 O LEU A 14 -8.045 8.320 -5.770 1.00 0.00 O ATOM 206 CB LEU A 14 -8.901 5.239 -5.491 1.00 0.00 C ATOM 207 CG LEU A 14 -8.970 3.884 -6.216 1.00 0.00 C ATOM 208 CD1 LEU A 14 -10.338 3.249 -6.029 1.00 0.00 C ATOM 209 CD2 LEU A 14 -8.653 4.038 -7.702 1.00 0.00 C ATOM 0 H LEU A 14 -6.646 4.908 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.355 6.103 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.106 5.072 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.701 5.873 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.218 3.229 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.369 2.291 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.524 3.092 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.104 3.908 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.709 3.064 -8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.374 4.715 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.649 4.445 -7.820 1.00 0.00 H new ATOM 221 N ASP A 15 -7.406 7.590 -3.768 1.00 0.00 N ATOM 222 CA ASP A 15 -7.596 8.904 -3.142 1.00 0.00 C ATOM 223 C ASP A 15 -6.406 9.272 -2.288 1.00 0.00 C ATOM 224 O ASP A 15 -5.668 8.396 -1.805 1.00 0.00 O ATOM 225 CB ASP A 15 -8.873 8.962 -2.285 1.00 0.00 C ATOM 226 CG ASP A 15 -10.172 8.785 -3.070 1.00 0.00 C ATOM 227 OD1 ASP A 15 -10.580 7.610 -3.315 1.00 0.00 O ATOM 228 OD2 ASP A 15 -10.794 9.793 -3.409 1.00 0.00 O ATOM 0 H ASP A 15 -7.035 6.867 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.698 9.622 -3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.817 8.188 -1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.904 9.920 -1.767 1.00 0.00 H new ATOM 233 N THR A 16 -6.242 10.546 -2.062 1.00 0.00 N ATOM 234 CA THR A 16 -5.122 11.078 -1.325 1.00 0.00 C ATOM 235 C THR A 16 -5.510 11.388 0.113 1.00 0.00 C ATOM 236 O THR A 16 -6.561 11.981 0.363 1.00 0.00 O ATOM 237 CB THR A 16 -4.651 12.374 -1.999 1.00 0.00 C ATOM 238 OG1 THR A 16 -5.799 13.203 -2.262 1.00 0.00 O ATOM 239 CG2 THR A 16 -3.935 12.081 -3.297 1.00 0.00 C ATOM 0 H THR A 16 -6.893 11.259 -2.390 1.00 0.00 H new ATOM 0 HA THR A 16 -4.327 10.333 -1.320 1.00 0.00 H new ATOM 0 HB THR A 16 -3.955 12.885 -1.334 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.503 13.004 -1.610 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.612 13.017 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.065 11.454 -3.099 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.611 11.560 -3.976 1.00 0.00 H new ATOM 247 N LEU A 17 -4.673 10.996 1.044 1.00 0.00 N ATOM 248 CA LEU A 17 -4.912 11.248 2.440 1.00 0.00 C ATOM 249 C LEU A 17 -3.907 12.289 2.961 1.00 0.00 C ATOM 250 O LEU A 17 -2.812 12.435 2.414 1.00 0.00 O ATOM 251 CB LEU A 17 -4.816 9.960 3.278 1.00 0.00 C ATOM 252 CG LEU A 17 -5.808 8.820 2.994 1.00 0.00 C ATOM 253 CD1 LEU A 17 -5.637 7.737 4.042 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.246 9.325 2.975 1.00 0.00 C ATOM 0 H LEU A 17 -3.807 10.493 0.852 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.927 11.633 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.809 9.560 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.924 10.239 4.326 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.596 8.410 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.338 6.926 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.618 7.352 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.832 8.153 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.921 8.494 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.491 9.763 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.356 10.080 2.197 1.00 0.00 H new ATOM 266 N PRO A 18 -4.281 13.073 3.965 1.00 0.00 N ATOM 267 CA PRO A 18 -3.372 14.031 4.582 1.00 0.00 C ATOM 268 C PRO A 18 -2.276 13.342 5.417 1.00 0.00 C ATOM 269 O PRO A 18 -2.444 12.202 5.861 1.00 0.00 O ATOM 270 CB PRO A 18 -4.281 14.880 5.474 1.00 0.00 C ATOM 271 CG PRO A 18 -5.445 14.000 5.780 1.00 0.00 C ATOM 272 CD PRO A 18 -5.628 13.112 4.579 1.00 0.00 C ATOM 0 HA PRO A 18 -2.834 14.616 3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.767 15.187 6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.597 15.790 4.964 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.261 13.409 6.677 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.341 14.591 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.967 12.116 4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.370 13.516 3.891 1.00 0.00 H new ATOM 280 N ASN A 19 -1.137 14.034 5.556 1.00 0.00 N ATOM 281 CA ASN A 19 0.013 13.590 6.388 1.00 0.00 C ATOM 282 C ASN A 19 0.792 12.441 5.726 1.00 0.00 C ATOM 283 O ASN A 19 1.206 11.483 6.382 1.00 0.00 O ATOM 284 CB ASN A 19 -0.440 13.218 7.833 1.00 0.00 C ATOM 285 CG ASN A 19 0.723 12.996 8.803 1.00 0.00 C ATOM 286 OD1 ASN A 19 1.791 13.582 8.660 1.00 0.00 O ATOM 287 ND2 ASN A 19 0.516 12.161 9.795 1.00 0.00 N ATOM 0 H ASN A 19 -0.977 14.929 5.093 1.00 0.00 H new ATOM 0 HA ASN A 19 0.698 14.434 6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.078 14.012 8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.046 12.313 7.793 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.255 11.984 10.475 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.384 11.690 9.885 1.00 0.00 H new ATOM 294 N ALA A 20 0.978 12.552 4.398 1.00 0.00 N ATOM 295 CA ALA A 20 1.789 11.599 3.607 1.00 0.00 C ATOM 296 C ALA A 20 1.190 10.186 3.647 1.00 0.00 C ATOM 297 O ALA A 20 1.899 9.171 3.487 1.00 0.00 O ATOM 298 CB ALA A 20 3.246 11.593 4.103 1.00 0.00 C ATOM 0 H ALA A 20 0.572 13.303 3.840 1.00 0.00 H new ATOM 0 HA ALA A 20 1.779 11.929 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.829 10.887 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.670 12.592 3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.272 11.296 5.151 1.00 0.00 H new ATOM 304 N MET A 21 -0.103 10.127 3.851 1.00 0.00 N ATOM 305 CA MET A 21 -0.818 8.884 3.880 1.00 0.00 C ATOM 306 C MET A 21 -1.615 8.838 2.595 1.00 0.00 C ATOM 307 O MET A 21 -1.887 9.869 2.003 1.00 0.00 O ATOM 308 CB MET A 21 -1.801 8.858 5.057 1.00 0.00 C ATOM 309 CG MET A 21 -2.020 7.508 5.717 1.00 0.00 C ATOM 310 SD MET A 21 -0.571 6.905 6.607 1.00 0.00 S ATOM 311 CE MET A 21 -1.206 5.349 7.240 1.00 0.00 C ATOM 0 H MET A 21 -0.689 10.948 4.002 1.00 0.00 H new ATOM 0 HA MET A 21 -0.132 8.044 3.985 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.447 9.557 5.815 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.764 9.229 4.707 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.858 7.582 6.410 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.299 6.780 4.955 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.430 4.847 7.817 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.067 5.541 7.880 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.507 4.713 6.407 1.00 0.00 H new ATOM 321 N PHE A 22 -1.957 7.698 2.163 1.00 0.00 N ATOM 322 CA PHE A 22 -2.759 7.522 0.975 1.00 0.00 C ATOM 323 C PHE A 22 -3.665 6.363 1.210 1.00 0.00 C ATOM 324 O PHE A 22 -3.301 5.439 1.953 1.00 0.00 O ATOM 325 CB PHE A 22 -1.887 7.248 -0.280 1.00 0.00 C ATOM 326 CG PHE A 22 -1.089 8.427 -0.796 1.00 0.00 C ATOM 327 CD1 PHE A 22 0.136 8.756 -0.245 1.00 0.00 C ATOM 328 CD2 PHE A 22 -1.568 9.199 -1.843 1.00 0.00 C ATOM 329 CE1 PHE A 22 0.864 9.829 -0.720 1.00 0.00 C ATOM 330 CE2 PHE A 22 -0.838 10.272 -2.323 1.00 0.00 C ATOM 331 CZ PHE A 22 0.378 10.585 -1.759 1.00 0.00 C ATOM 0 H PHE A 22 -1.694 6.823 2.617 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.319 8.438 0.786 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.195 6.438 -0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.536 6.894 -1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.529 8.165 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.522 8.960 -2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.817 10.074 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.222 10.864 -3.140 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.948 11.423 -2.132 1.00 0.00 H new ATOM 341 N LYS A 23 -4.846 6.393 0.649 1.00 0.00 N ATOM 342 CA LYS A 23 -5.682 5.255 0.780 1.00 0.00 C ATOM 343 C LYS A 23 -5.594 4.521 -0.524 1.00 0.00 C ATOM 344 O LYS A 23 -5.912 5.053 -1.605 1.00 0.00 O ATOM 345 CB LYS A 23 -7.136 5.575 1.290 1.00 0.00 C ATOM 346 CG LYS A 23 -8.158 6.114 0.298 1.00 0.00 C ATOM 347 CD LYS A 23 -8.755 4.989 -0.538 1.00 0.00 C ATOM 348 CE LYS A 23 -9.754 5.510 -1.516 1.00 0.00 C ATOM 349 NZ LYS A 23 -10.236 4.473 -2.425 1.00 0.00 N ATOM 0 H LYS A 23 -5.232 7.172 0.115 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.335 4.605 1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.544 4.660 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.050 6.298 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.952 6.633 0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.684 6.846 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.960 4.468 -1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.231 4.260 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.599 5.937 -0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.305 6.317 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.940 4.880 -3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.438 4.094 -2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.674 3.706 -1.876 1.00 0.00 H new ATOM 363 N VAL A 24 -5.066 3.384 -0.437 1.00 0.00 N ATOM 364 CA VAL A 24 -4.762 2.595 -1.592 1.00 0.00 C ATOM 365 C VAL A 24 -5.651 1.373 -1.594 1.00 0.00 C ATOM 366 O VAL A 24 -6.099 0.931 -0.544 1.00 0.00 O ATOM 367 CB VAL A 24 -3.241 2.179 -1.571 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.790 1.495 -2.840 1.00 0.00 C ATOM 369 CG2 VAL A 24 -2.331 3.360 -1.229 1.00 0.00 C ATOM 0 H VAL A 24 -4.817 2.942 0.448 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.943 3.172 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.151 1.441 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.734 1.236 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.375 0.588 -2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.934 2.167 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.292 3.030 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.459 4.146 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.592 3.747 -0.244 1.00 0.00 H new ATOM 379 N GLU A 25 -5.976 0.899 -2.742 1.00 0.00 N ATOM 380 CA GLU A 25 -6.678 -0.323 -2.862 1.00 0.00 C ATOM 381 C GLU A 25 -5.745 -1.388 -3.341 1.00 0.00 C ATOM 382 O GLU A 25 -4.982 -1.183 -4.280 1.00 0.00 O ATOM 383 CB GLU A 25 -7.887 -0.232 -3.790 1.00 0.00 C ATOM 384 CG GLU A 25 -9.173 0.231 -3.125 1.00 0.00 C ATOM 385 CD GLU A 25 -9.165 1.676 -2.627 1.00 0.00 C ATOM 386 OE1 GLU A 25 -8.549 2.565 -3.282 1.00 0.00 O ATOM 387 OE2 GLU A 25 -9.862 1.986 -1.634 1.00 0.00 O ATOM 0 H GLU A 25 -5.760 1.353 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.063 -0.571 -1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.650 0.452 -4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.058 -1.212 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.993 0.112 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.384 -0.426 -2.281 1.00 0.00 H new ATOM 394 N LEU A 26 -5.761 -2.497 -2.668 1.00 0.00 N ATOM 395 CA LEU A 26 -4.982 -3.655 -3.086 1.00 0.00 C ATOM 396 C LEU A 26 -5.577 -4.231 -4.361 1.00 0.00 C ATOM 397 O LEU A 26 -6.735 -3.963 -4.673 1.00 0.00 O ATOM 398 CB LEU A 26 -4.995 -4.747 -2.004 1.00 0.00 C ATOM 399 CG LEU A 26 -4.222 -4.467 -0.719 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.455 -5.588 0.286 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.736 -4.343 -1.019 1.00 0.00 C ATOM 0 H LEU A 26 -6.306 -2.640 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.955 -3.331 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.033 -4.945 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.599 -5.662 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.577 -3.529 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.899 -5.379 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.518 -5.656 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.115 -6.533 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.194 -4.143 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.375 -5.273 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.573 -3.524 -1.719 1.00 0.00 H new ATOM 413 N GLU A 27 -4.806 -5.064 -5.054 1.00 0.00 N ATOM 414 CA GLU A 27 -5.259 -5.758 -6.293 1.00 0.00 C ATOM 415 C GLU A 27 -6.539 -6.582 -6.011 1.00 0.00 C ATOM 416 O GLU A 27 -7.317 -6.894 -6.897 1.00 0.00 O ATOM 417 CB GLU A 27 -4.171 -6.728 -6.772 1.00 0.00 C ATOM 418 CG GLU A 27 -2.765 -6.145 -6.836 1.00 0.00 C ATOM 419 CD GLU A 27 -2.621 -4.965 -7.770 1.00 0.00 C ATOM 420 OE1 GLU A 27 -2.861 -3.818 -7.343 1.00 0.00 O ATOM 421 OE2 GLU A 27 -2.165 -5.151 -8.912 1.00 0.00 O ATOM 0 H GLU A 27 -3.847 -5.288 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.461 -5.002 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.159 -7.592 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.442 -7.092 -7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.466 -5.838 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.074 -6.928 -7.149 1.00 0.00 H new ATOM 428 N ASN A 28 -6.719 -6.915 -4.743 1.00 0.00 N ATOM 429 CA ASN A 28 -7.854 -7.696 -4.259 1.00 0.00 C ATOM 430 C ASN A 28 -9.113 -6.808 -4.109 1.00 0.00 C ATOM 431 O ASN A 28 -10.201 -7.303 -3.873 1.00 0.00 O ATOM 432 CB ASN A 28 -7.464 -8.307 -2.891 1.00 0.00 C ATOM 433 CG ASN A 28 -8.528 -9.187 -2.220 1.00 0.00 C ATOM 434 OD1 ASN A 28 -8.622 -9.211 -0.999 1.00 0.00 O ATOM 435 ND2 ASN A 28 -9.291 -9.933 -2.985 1.00 0.00 N ATOM 0 H ASN A 28 -6.069 -6.646 -4.004 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.092 -8.483 -4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.561 -8.902 -3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.212 -7.494 -2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.984 -10.553 -2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.191 -9.893 -3.999 1.00 0.00 H new ATOM 442 N GLY A 29 -8.955 -5.503 -4.278 1.00 0.00 N ATOM 443 CA GLY A 29 -10.089 -4.608 -4.129 1.00 0.00 C ATOM 444 C GLY A 29 -10.290 -4.178 -2.690 1.00 0.00 C ATOM 445 O GLY A 29 -11.310 -3.612 -2.346 1.00 0.00 O ATOM 0 H GLY A 29 -8.072 -5.049 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.939 -3.727 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.991 -5.103 -4.488 1.00 0.00 H new ATOM 449 N HIS A 30 -9.317 -4.480 -1.850 1.00 0.00 N ATOM 450 CA HIS A 30 -9.400 -4.165 -0.443 1.00 0.00 C ATOM 451 C HIS A 30 -8.805 -2.801 -0.219 1.00 0.00 C ATOM 452 O HIS A 30 -7.887 -2.402 -0.929 1.00 0.00 O ATOM 453 CB HIS A 30 -8.597 -5.176 0.369 1.00 0.00 C ATOM 454 CG HIS A 30 -8.906 -5.168 1.847 1.00 0.00 C ATOM 455 ND1 HIS A 30 -7.967 -4.877 2.817 1.00 0.00 N ATOM 456 CD2 HIS A 30 -10.065 -5.370 2.506 1.00 0.00 C ATOM 457 CE1 HIS A 30 -8.543 -4.891 3.994 1.00 0.00 C ATOM 458 NE2 HIS A 30 -9.819 -5.178 3.841 1.00 0.00 N ATOM 0 H HIS A 30 -8.453 -4.948 -2.125 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.444 -4.192 -0.131 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.787 -6.174 -0.025 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.535 -4.975 0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.014 -5.635 2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.051 -4.698 4.936 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.508 -5.246 4.590 1.00 0.00 H new ATOM 467 N GLU A 31 -9.228 -2.180 0.813 1.00 0.00 N ATOM 468 CA GLU A 31 -8.818 -0.878 1.167 1.00 0.00 C ATOM 469 C GLU A 31 -7.665 -0.978 2.154 1.00 0.00 C ATOM 470 O GLU A 31 -7.640 -1.858 3.037 1.00 0.00 O ATOM 471 CB GLU A 31 -10.011 -0.142 1.835 1.00 0.00 C ATOM 472 CG GLU A 31 -10.446 -0.679 3.240 1.00 0.00 C ATOM 473 CD GLU A 31 -10.936 -2.129 3.299 1.00 0.00 C ATOM 474 OE1 GLU A 31 -11.382 -2.669 2.277 1.00 0.00 O ATOM 475 OE2 GLU A 31 -10.786 -2.781 4.365 1.00 0.00 O ATOM 0 H GLU A 31 -9.901 -2.584 1.465 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.497 -0.328 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.753 0.912 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.869 -0.198 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.600 -0.577 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.240 -0.036 3.620 1.00 0.00 H new ATOM 482 N ILE A 32 -6.678 -0.173 1.945 1.00 0.00 N ATOM 483 CA ILE A 32 -5.546 -0.102 2.819 1.00 0.00 C ATOM 484 C ILE A 32 -5.136 1.350 2.997 1.00 0.00 C ATOM 485 O ILE A 32 -5.225 2.162 2.072 1.00 0.00 O ATOM 486 CB ILE A 32 -4.317 -0.926 2.295 1.00 0.00 C ATOM 487 CG1 ILE A 32 -3.960 -0.500 0.887 1.00 0.00 C ATOM 488 CG2 ILE A 32 -4.594 -2.416 2.339 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.657 -1.051 0.367 1.00 0.00 C ATOM 0 H ILE A 32 -6.630 0.466 1.151 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.848 -0.540 3.770 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.472 -0.722 2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.761 -0.808 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.917 0.589 0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.724 -2.959 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.801 -2.717 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.457 -2.644 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.489 -0.690 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.840 -0.722 1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.698 -2.140 0.363 1.00 0.00 H new ATOM 501 N LEU A 33 -4.718 1.676 4.164 1.00 0.00 N ATOM 502 CA LEU A 33 -4.218 2.991 4.440 1.00 0.00 C ATOM 503 C LEU A 33 -2.744 2.839 4.454 1.00 0.00 C ATOM 504 O LEU A 33 -2.201 2.043 5.216 1.00 0.00 O ATOM 505 CB LEU A 33 -4.715 3.436 5.813 1.00 0.00 C ATOM 506 CG LEU A 33 -6.237 3.432 5.993 1.00 0.00 C ATOM 507 CD1 LEU A 33 -6.604 3.735 7.434 1.00 0.00 C ATOM 508 CD2 LEU A 33 -6.895 4.441 5.065 1.00 0.00 C ATOM 0 H LEU A 33 -4.709 1.044 4.964 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.544 3.732 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.275 2.785 6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.346 4.443 6.006 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.603 2.437 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.689 3.728 7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.169 2.978 8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.218 4.717 7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.975 4.420 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.518 5.439 5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.664 4.188 4.030 1.00 0.00 H new ATOM 520 N ALA A 34 -2.088 3.574 3.656 1.00 0.00 N ATOM 521 CA ALA A 34 -0.691 3.390 3.522 1.00 0.00 C ATOM 522 C ALA A 34 0.041 4.684 3.630 1.00 0.00 C ATOM 523 O ALA A 34 -0.513 5.734 3.358 1.00 0.00 O ATOM 524 CB ALA A 34 -0.405 2.702 2.218 1.00 0.00 C ATOM 0 H ALA A 34 -2.488 4.314 3.079 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.335 2.761 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.670 2.558 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.904 1.733 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.773 3.315 1.395 1.00 0.00 H new ATOM 530 N HIS A 35 1.267 4.610 4.043 1.00 0.00 N ATOM 531 CA HIS A 35 2.068 5.780 4.230 1.00 0.00 C ATOM 532 C HIS A 35 3.246 5.722 3.283 1.00 0.00 C ATOM 533 O HIS A 35 3.849 4.666 3.100 1.00 0.00 O ATOM 534 CB HIS A 35 2.550 5.830 5.688 1.00 0.00 C ATOM 535 CG HIS A 35 3.071 7.165 6.140 1.00 0.00 C ATOM 536 ND1 HIS A 35 2.263 8.124 6.699 1.00 0.00 N ATOM 537 CD2 HIS A 35 4.318 7.681 6.153 1.00 0.00 C ATOM 538 CE1 HIS A 35 2.983 9.166 7.037 1.00 0.00 C ATOM 539 NE2 HIS A 35 4.237 8.928 6.718 1.00 0.00 N ATOM 0 H HIS A 35 1.743 3.734 4.261 1.00 0.00 H new ATOM 0 HA HIS A 35 1.487 6.678 4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.724 5.540 6.338 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.336 5.086 5.821 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.255 8.039 6.831 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.213 7.201 5.787 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.610 10.068 7.499 1.00 0.00 H new ATOM 548 N VAL A 36 3.568 6.821 2.686 1.00 0.00 N ATOM 549 CA VAL A 36 4.699 6.882 1.789 1.00 0.00 C ATOM 550 C VAL A 36 5.984 7.083 2.557 1.00 0.00 C ATOM 551 O VAL A 36 5.985 7.674 3.645 1.00 0.00 O ATOM 552 CB VAL A 36 4.552 7.931 0.671 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.444 7.528 -0.273 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.298 9.323 1.236 1.00 0.00 C ATOM 0 H VAL A 36 3.066 7.702 2.797 1.00 0.00 H new ATOM 0 HA VAL A 36 4.733 5.916 1.284 1.00 0.00 H new ATOM 0 HB VAL A 36 5.492 7.971 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.347 8.275 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.679 6.561 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.506 7.456 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.200 10.036 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.379 9.316 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.133 9.615 1.873 1.00 0.00 H new ATOM 564 N SER A 37 7.050 6.530 2.036 1.00 0.00 N ATOM 565 CA SER A 37 8.336 6.575 2.683 1.00 0.00 C ATOM 566 C SER A 37 8.839 8.013 2.796 1.00 0.00 C ATOM 567 O SER A 37 8.377 8.923 2.071 1.00 0.00 O ATOM 568 CB SER A 37 9.355 5.755 1.881 1.00 0.00 C ATOM 569 OG SER A 37 9.601 6.353 0.614 1.00 0.00 O ATOM 0 H SER A 37 7.050 6.033 1.145 1.00 0.00 H new ATOM 0 HA SER A 37 8.224 6.157 3.683 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.288 5.680 2.440 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.983 4.740 1.743 1.00 0.00 H new ATOM 0 HG SER A 37 10.255 5.815 0.120 1.00 0.00 H new ATOM 575 N GLY A 38 9.782 8.215 3.704 1.00 0.00 N ATOM 576 CA GLY A 38 10.397 9.505 3.872 1.00 0.00 C ATOM 577 C GLY A 38 11.082 9.981 2.603 1.00 0.00 C ATOM 578 O GLY A 38 11.281 11.171 2.426 1.00 0.00 O ATOM 0 H GLY A 38 10.133 7.493 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.640 10.231 4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.126 9.456 4.681 1.00 0.00 H new ATOM 582 N LYS A 39 11.382 9.048 1.685 1.00 0.00 N ATOM 583 CA LYS A 39 12.044 9.403 0.459 1.00 0.00 C ATOM 584 C LYS A 39 11.059 10.142 -0.431 1.00 0.00 C ATOM 585 O LYS A 39 11.391 11.145 -1.038 1.00 0.00 O ATOM 586 CB LYS A 39 12.573 8.162 -0.265 1.00 0.00 C ATOM 587 CG LYS A 39 13.369 8.500 -1.512 1.00 0.00 C ATOM 588 CD LYS A 39 13.766 7.269 -2.298 1.00 0.00 C ATOM 589 CE LYS A 39 14.559 7.658 -3.540 1.00 0.00 C ATOM 590 NZ LYS A 39 13.806 8.609 -4.410 1.00 0.00 N ATOM 0 H LYS A 39 11.171 8.055 1.784 1.00 0.00 H new ATOM 0 HA LYS A 39 12.897 10.041 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.202 7.590 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.734 7.522 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.778 9.159 -2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.266 9.051 -1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.364 6.608 -1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.874 6.713 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.503 8.112 -3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.803 6.761 -4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.283 8.690 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.838 8.257 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.772 9.543 -3.955 1.00 0.00 H new ATOM 604 N ILE A 40 9.841 9.650 -0.466 1.00 0.00 N ATOM 605 CA ILE A 40 8.778 10.264 -1.239 1.00 0.00 C ATOM 606 C ILE A 40 8.392 11.601 -0.640 1.00 0.00 C ATOM 607 O ILE A 40 8.222 12.585 -1.360 1.00 0.00 O ATOM 608 CB ILE A 40 7.553 9.316 -1.359 1.00 0.00 C ATOM 609 CG1 ILE A 40 7.875 8.199 -2.351 1.00 0.00 C ATOM 610 CG2 ILE A 40 6.292 10.071 -1.782 1.00 0.00 C ATOM 611 CD1 ILE A 40 6.868 7.070 -2.380 1.00 0.00 C ATOM 0 H ILE A 40 9.556 8.812 0.041 1.00 0.00 H new ATOM 0 HA ILE A 40 9.147 10.443 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 40 7.351 8.885 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.948 8.629 -3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.855 7.788 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.458 9.374 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.061 10.837 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.457 10.541 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.178 6.324 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.810 6.609 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.889 7.463 -2.655 1.00 0.00 H new ATOM 623 N ARG A 41 8.309 11.637 0.678 1.00 0.00 N ATOM 624 CA ARG A 41 7.968 12.849 1.391 1.00 0.00 C ATOM 625 C ARG A 41 9.041 13.942 1.122 1.00 0.00 C ATOM 626 O ARG A 41 8.712 15.105 0.875 1.00 0.00 O ATOM 627 CB ARG A 41 7.824 12.533 2.921 1.00 0.00 C ATOM 628 CG ARG A 41 7.313 13.692 3.811 1.00 0.00 C ATOM 629 CD ARG A 41 8.377 14.755 4.061 1.00 0.00 C ATOM 630 NE ARG A 41 7.834 15.975 4.671 1.00 0.00 N ATOM 631 CZ ARG A 41 8.059 17.217 4.189 1.00 0.00 C ATOM 632 NH1 ARG A 41 8.748 17.381 3.060 1.00 0.00 N ATOM 633 NH2 ARG A 41 7.570 18.286 4.827 1.00 0.00 N ATOM 0 H ARG A 41 8.476 10.830 1.279 1.00 0.00 H new ATOM 0 HA ARG A 41 7.012 13.234 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.145 11.688 3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.795 12.213 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.448 14.155 3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.976 13.290 4.766 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.149 14.343 4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.857 15.010 3.116 1.00 0.00 H new ATOM 0 HE ARG A 41 7.255 15.880 5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.106 16.568 2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.917 18.319 2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.025 18.165 5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.742 19.222 4.460 1.00 0.00 H new ATOM 647 N MET A 42 10.310 13.564 1.215 1.00 0.00 N ATOM 648 CA MET A 42 11.414 14.512 1.015 1.00 0.00 C ATOM 649 C MET A 42 11.667 14.868 -0.447 1.00 0.00 C ATOM 650 O MET A 42 12.090 15.970 -0.745 1.00 0.00 O ATOM 651 CB MET A 42 12.710 14.056 1.692 1.00 0.00 C ATOM 652 CG MET A 42 12.620 13.963 3.209 1.00 0.00 C ATOM 653 SD MET A 42 12.073 15.506 3.977 1.00 0.00 S ATOM 654 CE MET A 42 12.158 15.060 5.710 1.00 0.00 C ATOM 0 H MET A 42 10.606 12.611 1.427 1.00 0.00 H new ATOM 0 HA MET A 42 11.079 15.426 1.504 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.991 13.080 1.295 1.00 0.00 H new ATOM 0 HB3 MET A 42 13.509 14.749 1.428 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.929 13.164 3.479 1.00 0.00 H new ATOM 0 HG3 MET A 42 13.596 13.690 3.610 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.850 15.909 6.320 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.495 14.216 5.902 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.181 14.783 5.965 1.00 0.00 H new ATOM 664 N ASN A 43 11.427 13.936 -1.359 1.00 0.00 N ATOM 665 CA ASN A 43 11.659 14.214 -2.790 1.00 0.00 C ATOM 666 C ASN A 43 10.450 14.849 -3.428 1.00 0.00 C ATOM 667 O ASN A 43 10.493 15.232 -4.588 1.00 0.00 O ATOM 668 CB ASN A 43 12.062 12.957 -3.601 1.00 0.00 C ATOM 669 CG ASN A 43 13.421 12.356 -3.238 1.00 0.00 C ATOM 670 OD1 ASN A 43 13.641 11.136 -3.399 1.00 0.00 O ATOM 671 ND2 ASN A 43 14.339 13.170 -2.762 1.00 0.00 N ATOM 0 H ASN A 43 11.080 12.999 -1.152 1.00 0.00 H new ATOM 0 HA ASN A 43 12.499 14.909 -2.817 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.296 12.194 -3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.068 13.214 -4.660 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.260 12.810 -2.513 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.129 14.161 -2.642 1.00 0.00 H new ATOM 761 N LEU A 48 -0.357 10.521 -7.615 1.00 0.00 N ATOM 762 CA LEU A 48 -1.632 11.036 -8.045 1.00 0.00 C ATOM 763 C LEU A 48 -2.662 9.901 -8.015 1.00 0.00 C ATOM 764 O LEU A 48 -2.307 8.765 -8.315 1.00 0.00 O ATOM 765 CB LEU A 48 -1.497 11.581 -9.477 1.00 0.00 C ATOM 766 CG LEU A 48 -2.700 12.340 -10.046 1.00 0.00 C ATOM 767 CD1 LEU A 48 -2.876 13.686 -9.347 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.553 12.526 -11.546 1.00 0.00 C ATOM 0 HA LEU A 48 -1.957 11.839 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.632 12.244 -9.508 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.280 10.743 -10.140 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.595 11.746 -9.861 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.736 14.205 -9.769 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.037 13.524 -8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.981 14.291 -9.491 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.417 13.067 -11.932 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.646 13.094 -11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.490 11.551 -12.029 1.00 0.00 H new ATOM 780 N PRO A 49 -3.909 10.162 -7.543 1.00 0.00 N ATOM 781 CA PRO A 49 -5.007 9.183 -7.607 1.00 0.00 C ATOM 782 C PRO A 49 -5.071 8.492 -8.974 1.00 0.00 C ATOM 783 O PRO A 49 -5.135 9.152 -10.016 1.00 0.00 O ATOM 784 CB PRO A 49 -6.229 10.070 -7.423 1.00 0.00 C ATOM 785 CG PRO A 49 -5.770 11.103 -6.473 1.00 0.00 C ATOM 786 CD PRO A 49 -4.346 11.406 -6.874 1.00 0.00 C ATOM 0 HA PRO A 49 -4.907 8.381 -6.876 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.551 10.509 -8.367 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.075 9.509 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.393 11.995 -6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.822 10.743 -5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.291 12.264 -7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.725 11.637 -6.009 1.00 0.00 H new ATOM 794 N GLY A 50 -5.040 7.183 -8.956 1.00 0.00 N ATOM 795 CA GLY A 50 -5.035 6.418 -10.165 1.00 0.00 C ATOM 796 C GLY A 50 -3.668 5.830 -10.444 1.00 0.00 C ATOM 797 O GLY A 50 -3.488 5.090 -11.415 1.00 0.00 O ATOM 0 H GLY A 50 -5.018 6.625 -8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.769 5.616 -10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.337 7.052 -10.999 1.00 0.00 H new ATOM 801 N ASP A 51 -2.689 6.177 -9.615 1.00 0.00 N ATOM 802 CA ASP A 51 -1.342 5.670 -9.804 1.00 0.00 C ATOM 803 C ASP A 51 -1.180 4.301 -9.164 1.00 0.00 C ATOM 804 O ASP A 51 -1.935 3.924 -8.239 1.00 0.00 O ATOM 805 CB ASP A 51 -0.254 6.627 -9.321 1.00 0.00 C ATOM 806 CG ASP A 51 0.942 6.609 -10.254 1.00 0.00 C ATOM 807 OD1 ASP A 51 1.497 5.541 -10.518 1.00 0.00 O ATOM 808 OD2 ASP A 51 1.251 7.657 -10.870 1.00 0.00 O ATOM 0 H ASP A 51 -2.804 6.800 -8.816 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.207 5.577 -10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.656 7.638 -9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.061 6.347 -8.316 1.00 0.00 H new ATOM 813 N LYS A 52 -0.200 3.590 -9.619 1.00 0.00 N ATOM 814 CA LYS A 52 0.034 2.227 -9.238 1.00 0.00 C ATOM 815 C LYS A 52 1.217 2.211 -8.271 1.00 0.00 C ATOM 816 O LYS A 52 2.250 2.798 -8.562 1.00 0.00 O ATOM 817 CB LYS A 52 0.375 1.454 -10.514 1.00 0.00 C ATOM 818 CG LYS A 52 -0.372 0.154 -10.705 1.00 0.00 C ATOM 819 CD LYS A 52 -0.067 -0.834 -9.618 1.00 0.00 C ATOM 820 CE LYS A 52 -0.809 -2.121 -9.848 1.00 0.00 C ATOM 821 NZ LYS A 52 -0.528 -3.076 -8.799 1.00 0.00 N ATOM 0 H LYS A 52 0.483 3.949 -10.286 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.832 1.776 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.176 2.097 -11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.444 1.242 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.444 0.351 -10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.109 -0.277 -11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.005 -1.027 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.345 -0.416 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.880 -1.925 -9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.525 -2.541 -10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.804 -4.028 -9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.489 -3.065 -8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.066 -2.823 -7.946 1.00 0.00 H new ATOM 835 N VAL A 53 1.087 1.559 -7.130 1.00 0.00 N ATOM 836 CA VAL A 53 2.156 1.592 -6.132 1.00 0.00 C ATOM 837 C VAL A 53 2.426 0.237 -5.488 1.00 0.00 C ATOM 838 O VAL A 53 1.534 -0.621 -5.390 1.00 0.00 O ATOM 839 CB VAL A 53 1.901 2.641 -5.002 1.00 0.00 C ATOM 840 CG1 VAL A 53 1.961 4.070 -5.531 1.00 0.00 C ATOM 841 CG2 VAL A 53 0.561 2.390 -4.317 1.00 0.00 C ATOM 0 H VAL A 53 0.270 1.008 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 53 3.037 1.887 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 53 2.699 2.521 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.779 4.768 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.946 4.259 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.201 4.205 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.407 3.133 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.242 2.464 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.559 1.393 -3.876 1.00 0.00 H new ATOM 851 N THR A 54 3.648 0.079 -5.038 1.00 0.00 N ATOM 852 CA THR A 54 4.092 -1.100 -4.354 1.00 0.00 C ATOM 853 C THR A 54 4.095 -0.821 -2.838 1.00 0.00 C ATOM 854 O THR A 54 4.809 0.119 -2.334 1.00 0.00 O ATOM 855 CB THR A 54 5.503 -1.473 -4.827 1.00 0.00 C ATOM 856 OG1 THR A 54 5.514 -1.503 -6.263 1.00 0.00 O ATOM 857 CG2 THR A 54 5.915 -2.842 -4.293 1.00 0.00 C ATOM 0 H THR A 54 4.375 0.787 -5.143 1.00 0.00 H new ATOM 0 HA THR A 54 3.422 -1.932 -4.571 1.00 0.00 H new ATOM 0 HB THR A 54 6.208 -0.732 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.625 -1.750 -6.592 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.919 -3.082 -4.643 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.905 -2.826 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.216 -3.598 -4.651 1.00 0.00 H new ATOM 865 N VAL A 55 3.318 -1.615 -2.120 1.00 0.00 N ATOM 866 CA VAL A 55 3.107 -1.429 -0.716 1.00 0.00 C ATOM 867 C VAL A 55 3.708 -2.574 0.102 1.00 0.00 C ATOM 868 O VAL A 55 3.478 -3.753 -0.163 1.00 0.00 O ATOM 869 CB VAL A 55 1.579 -1.240 -0.375 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.731 -2.473 -0.714 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.391 -0.853 1.075 1.00 0.00 C ATOM 0 H VAL A 55 2.816 -2.412 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 55 3.626 -0.512 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 55 1.224 -0.428 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.310 -2.280 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.808 -2.685 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.093 -3.330 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.328 -0.729 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.798 -1.635 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.911 0.084 1.272 1.00 0.00 H new ATOM 881 N GLU A 56 4.492 -2.216 1.055 1.00 0.00 N ATOM 882 CA GLU A 56 5.070 -3.144 1.979 1.00 0.00 C ATOM 883 C GLU A 56 4.189 -3.149 3.196 1.00 0.00 C ATOM 884 O GLU A 56 3.831 -2.082 3.698 1.00 0.00 O ATOM 885 CB GLU A 56 6.437 -2.651 2.364 1.00 0.00 C ATOM 886 CG GLU A 56 7.373 -2.490 1.198 1.00 0.00 C ATOM 887 CD GLU A 56 8.440 -1.518 1.523 1.00 0.00 C ATOM 888 OE1 GLU A 56 9.469 -1.896 2.090 1.00 0.00 O ATOM 889 OE2 GLU A 56 8.234 -0.321 1.275 1.00 0.00 O ATOM 0 H GLU A 56 4.760 -1.247 1.224 1.00 0.00 H new ATOM 0 HA GLU A 56 5.153 -4.142 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.338 -1.693 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.877 -3.347 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.815 -3.453 0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.819 -2.152 0.323 1.00 0.00 H new ATOM 896 N MET A 57 3.799 -4.297 3.643 1.00 0.00 N ATOM 897 CA MET A 57 2.942 -4.391 4.802 1.00 0.00 C ATOM 898 C MET A 57 3.222 -5.612 5.608 1.00 0.00 C ATOM 899 O MET A 57 3.618 -6.631 5.078 1.00 0.00 O ATOM 900 CB MET A 57 1.462 -4.296 4.433 1.00 0.00 C ATOM 901 CG MET A 57 1.019 -5.117 3.244 1.00 0.00 C ATOM 902 SD MET A 57 -0.754 -4.954 2.940 1.00 0.00 S ATOM 903 CE MET A 57 -0.936 -3.179 2.817 1.00 0.00 C ATOM 0 H MET A 57 4.056 -5.193 3.228 1.00 0.00 H new ATOM 0 HA MET A 57 3.175 -3.529 5.428 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.873 -4.600 5.298 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.224 -3.251 4.236 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.570 -4.801 2.358 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.264 -6.165 3.415 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.507 -2.812 3.670 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.049 -2.712 2.811 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.461 -2.930 1.895 1.00 0.00 H new ATOM 913 N SER A 58 3.018 -5.503 6.880 1.00 0.00 N ATOM 914 CA SER A 58 3.281 -6.572 7.797 1.00 0.00 C ATOM 915 C SER A 58 2.196 -7.639 7.641 1.00 0.00 C ATOM 916 O SER A 58 1.071 -7.314 7.260 1.00 0.00 O ATOM 917 CB SER A 58 3.241 -6.016 9.206 1.00 0.00 C ATOM 918 OG SER A 58 3.855 -4.747 9.255 1.00 0.00 O ATOM 0 H SER A 58 2.658 -4.657 7.322 1.00 0.00 H new ATOM 0 HA SER A 58 4.257 -7.013 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.207 -5.939 9.544 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.749 -6.699 9.887 1.00 0.00 H new ATOM 0 HG SER A 58 3.166 -4.052 9.298 1.00 0.00 H new ATOM 924 N PRO A 59 2.506 -8.931 7.899 1.00 0.00 N ATOM 925 CA PRO A 59 1.497 -10.019 7.853 1.00 0.00 C ATOM 926 C PRO A 59 0.353 -9.785 8.869 1.00 0.00 C ATOM 927 O PRO A 59 -0.682 -10.422 8.816 1.00 0.00 O ATOM 928 CB PRO A 59 2.301 -11.270 8.246 1.00 0.00 C ATOM 929 CG PRO A 59 3.725 -10.921 7.976 1.00 0.00 C ATOM 930 CD PRO A 59 3.850 -9.448 8.230 1.00 0.00 C ATOM 0 HA PRO A 59 1.017 -10.092 6.877 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.150 -11.522 9.296 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.991 -12.137 7.663 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.394 -11.486 8.625 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.997 -11.163 6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.117 -9.240 9.266 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.620 -8.996 7.605 1.00 0.00 H new ATOM 938 N TYR A 60 0.586 -8.859 9.786 1.00 0.00 N ATOM 939 CA TYR A 60 -0.371 -8.478 10.807 1.00 0.00 C ATOM 940 C TYR A 60 -1.201 -7.265 10.326 1.00 0.00 C ATOM 941 O TYR A 60 -2.141 -6.826 10.993 1.00 0.00 O ATOM 942 CB TYR A 60 0.404 -8.150 12.112 1.00 0.00 C ATOM 943 CG TYR A 60 -0.448 -7.726 13.300 1.00 0.00 C ATOM 944 CD1 TYR A 60 -1.186 -8.654 14.019 1.00 0.00 C ATOM 945 CD2 TYR A 60 -0.502 -6.392 13.700 1.00 0.00 C ATOM 946 CE1 TYR A 60 -1.958 -8.269 15.101 1.00 0.00 C ATOM 947 CE2 TYR A 60 -1.270 -6.001 14.778 1.00 0.00 C ATOM 948 CZ TYR A 60 -1.996 -6.942 15.474 1.00 0.00 C ATOM 949 OH TYR A 60 -2.763 -6.553 16.549 1.00 0.00 O ATOM 0 H TYR A 60 1.464 -8.342 9.840 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.065 -9.296 11.002 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.983 -9.028 12.399 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.117 -7.354 11.898 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.158 -9.694 13.730 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.067 -5.652 13.157 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.528 -9.004 15.650 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.302 -4.963 15.074 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.678 -5.585 16.679 1.00 0.00 H new ATOM 959 N ASP A 61 -0.857 -6.735 9.166 1.00 0.00 N ATOM 960 CA ASP A 61 -1.551 -5.573 8.654 1.00 0.00 C ATOM 961 C ASP A 61 -2.539 -5.910 7.564 1.00 0.00 C ATOM 962 O ASP A 61 -3.663 -6.290 7.840 1.00 0.00 O ATOM 963 CB ASP A 61 -0.615 -4.439 8.169 1.00 0.00 C ATOM 964 CG ASP A 61 0.072 -3.684 9.272 1.00 0.00 C ATOM 965 OD1 ASP A 61 -0.618 -2.937 10.000 1.00 0.00 O ATOM 966 OD2 ASP A 61 1.292 -3.795 9.393 1.00 0.00 O ATOM 0 H ASP A 61 -0.109 -7.088 8.568 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.097 -5.199 9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.142 -4.866 7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.196 -3.736 7.572 1.00 0.00 H new ATOM 971 N LEU A 62 -2.104 -5.745 6.305 1.00 0.00 N ATOM 972 CA LEU A 62 -2.959 -5.883 5.098 1.00 0.00 C ATOM 973 C LEU A 62 -4.130 -4.891 5.074 1.00 0.00 C ATOM 974 O LEU A 62 -5.038 -4.959 4.229 1.00 0.00 O ATOM 975 CB LEU A 62 -3.382 -7.332 4.778 1.00 0.00 C ATOM 976 CG LEU A 62 -2.296 -8.223 4.120 1.00 0.00 C ATOM 977 CD1 LEU A 62 -1.147 -8.531 5.071 1.00 0.00 C ATOM 978 CD2 LEU A 62 -2.907 -9.505 3.580 1.00 0.00 C ATOM 0 H LEU A 62 -1.136 -5.509 6.085 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.310 -5.602 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.705 -7.809 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.248 -7.300 4.117 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.878 -7.657 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.413 -9.157 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.675 -7.600 5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.530 -9.056 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.128 -10.115 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.370 -10.060 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.662 -9.261 2.833 1.00 0.00 H new ATOM 990 N THR A 63 -4.079 -3.975 6.003 1.00 0.00 N ATOM 991 CA THR A 63 -4.974 -2.865 6.102 1.00 0.00 C ATOM 992 C THR A 63 -4.150 -1.557 6.216 1.00 0.00 C ATOM 993 O THR A 63 -4.655 -0.458 5.983 1.00 0.00 O ATOM 994 CB THR A 63 -6.015 -3.057 7.269 1.00 0.00 C ATOM 995 OG1 THR A 63 -6.745 -1.857 7.544 1.00 0.00 O ATOM 996 CG2 THR A 63 -5.372 -3.585 8.539 1.00 0.00 C ATOM 0 H THR A 63 -3.378 -3.987 6.744 1.00 0.00 H new ATOM 0 HA THR A 63 -5.578 -2.799 5.197 1.00 0.00 H new ATOM 0 HB THR A 63 -6.720 -3.809 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.380 -2.020 8.272 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.132 -3.699 9.311 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.910 -4.552 8.338 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.611 -2.883 8.880 1.00 0.00 H new ATOM 1004 N ARG A 64 -2.856 -1.695 6.539 1.00 0.00 N ATOM 1005 CA ARG A 64 -1.930 -0.571 6.592 1.00 0.00 C ATOM 1006 C ARG A 64 -0.694 -0.973 5.849 1.00 0.00 C ATOM 1007 O ARG A 64 -0.410 -2.161 5.770 1.00 0.00 O ATOM 1008 CB ARG A 64 -1.523 -0.147 8.025 1.00 0.00 C ATOM 1009 CG ARG A 64 -2.610 0.481 8.893 1.00 0.00 C ATOM 1010 CD ARG A 64 -3.588 -0.538 9.457 1.00 0.00 C ATOM 1011 NE ARG A 64 -2.900 -1.594 10.223 1.00 0.00 N ATOM 1012 CZ ARG A 64 -3.422 -2.367 11.179 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -4.684 -2.191 11.595 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -2.665 -3.320 11.706 1.00 0.00 N ATOM 0 H ARG A 64 -2.429 -2.592 6.770 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.438 0.287 6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.140 -1.026 8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.698 0.562 7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.142 1.021 9.716 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.159 1.214 8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.308 -0.033 10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.152 -0.990 8.641 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.918 -1.751 9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.260 -1.458 11.180 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.068 -2.790 12.326 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.707 -3.449 11.380 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.041 -3.924 12.438 1.00 0.00 H new ATOM 1028 N GLY A 65 0.019 -0.026 5.290 1.00 0.00 N ATOM 1029 CA GLY A 65 1.224 -0.356 4.576 1.00 0.00 C ATOM 1030 C GLY A 65 2.119 0.839 4.361 1.00 0.00 C ATOM 1031 O GLY A 65 1.798 1.951 4.796 1.00 0.00 O ATOM 0 H GLY A 65 -0.212 0.967 5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.771 -1.120 5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.962 -0.787 3.610 1.00 0.00 H new ATOM 1035 N ARG A 66 3.224 0.621 3.686 1.00 0.00 N ATOM 1036 CA ARG A 66 4.191 1.655 3.412 1.00 0.00 C ATOM 1037 C ARG A 66 4.619 1.552 1.940 1.00 0.00 C ATOM 1038 O ARG A 66 4.949 0.477 1.472 1.00 0.00 O ATOM 1039 CB ARG A 66 5.381 1.471 4.394 1.00 0.00 C ATOM 1040 CG ARG A 66 6.408 2.606 4.464 1.00 0.00 C ATOM 1041 CD ARG A 66 7.429 2.590 3.329 1.00 0.00 C ATOM 1042 NE ARG A 66 8.242 1.357 3.300 1.00 0.00 N ATOM 1043 CZ ARG A 66 9.272 1.041 4.113 1.00 0.00 C ATOM 1044 NH1 ARG A 66 9.589 1.825 5.157 1.00 0.00 N ATOM 1045 NH2 ARG A 66 9.970 -0.064 3.889 1.00 0.00 N ATOM 0 H ARG A 66 3.478 -0.291 3.308 1.00 0.00 H new ATOM 0 HA ARG A 66 3.778 2.652 3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.975 1.320 5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.906 0.555 4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.881 3.560 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.937 2.546 5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.908 2.697 2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.089 3.451 3.430 1.00 0.00 H new ATOM 0 HE ARG A 66 7.998 0.669 2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.049 2.670 5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.370 1.575 5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.728 -0.670 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.749 -0.308 4.500 1.00 0.00 H new ATOM 1059 N ILE A 67 4.551 2.661 1.218 1.00 0.00 N ATOM 1060 CA ILE A 67 4.933 2.697 -0.201 1.00 0.00 C ATOM 1061 C ILE A 67 6.349 3.203 -0.385 1.00 0.00 C ATOM 1062 O ILE A 67 6.734 4.270 0.158 1.00 0.00 O ATOM 1063 CB ILE A 67 3.941 3.548 -1.103 1.00 0.00 C ATOM 1064 CG1 ILE A 67 2.661 2.785 -1.426 1.00 0.00 C ATOM 1065 CG2 ILE A 67 4.584 4.032 -2.407 1.00 0.00 C ATOM 1066 CD1 ILE A 67 1.762 2.546 -0.270 1.00 0.00 C ATOM 0 H ILE A 67 4.234 3.557 1.587 1.00 0.00 H new ATOM 0 HA ILE A 67 4.872 1.662 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 67 3.692 4.423 -0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.110 3.337 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.930 1.823 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.857 4.607 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.444 4.661 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.909 3.173 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.881 1.997 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.289 1.964 0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.455 3.501 0.156 1.00 0.00 H new ATOM 1078 N THR A 68 7.125 2.440 -1.101 1.00 0.00 N ATOM 1079 CA THR A 68 8.456 2.856 -1.476 1.00 0.00 C ATOM 1080 C THR A 68 8.589 3.061 -2.975 1.00 0.00 C ATOM 1081 O THR A 68 9.429 3.848 -3.435 1.00 0.00 O ATOM 1082 CB THR A 68 9.473 1.831 -1.016 1.00 0.00 C ATOM 1083 OG1 THR A 68 8.901 0.516 -1.160 1.00 0.00 O ATOM 1084 CG2 THR A 68 9.848 2.090 0.413 1.00 0.00 C ATOM 0 H THR A 68 6.859 1.516 -1.442 1.00 0.00 H new ATOM 0 HA THR A 68 8.644 3.812 -0.988 1.00 0.00 H new ATOM 0 HB THR A 68 10.376 1.901 -1.622 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.614 0.186 -0.283 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.579 1.350 0.737 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.278 3.088 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.959 2.021 1.041 1.00 0.00 H new ATOM 1092 N TYR A 69 7.730 2.418 -3.729 1.00 0.00 N ATOM 1093 CA TYR A 69 7.845 2.431 -5.154 1.00 0.00 C ATOM 1094 C TYR A 69 6.500 2.657 -5.812 1.00 0.00 C ATOM 1095 O TYR A 69 5.473 2.205 -5.321 1.00 0.00 O ATOM 1096 CB TYR A 69 8.450 1.089 -5.612 1.00 0.00 C ATOM 1097 CG TYR A 69 8.644 0.929 -7.113 1.00 0.00 C ATOM 1098 CD1 TYR A 69 9.537 1.731 -7.814 1.00 0.00 C ATOM 1099 CD2 TYR A 69 7.923 -0.025 -7.823 1.00 0.00 C ATOM 1100 CE1 TYR A 69 9.705 1.582 -9.180 1.00 0.00 C ATOM 1101 CE2 TYR A 69 8.085 -0.178 -9.184 1.00 0.00 C ATOM 1102 CZ TYR A 69 8.976 0.624 -9.858 1.00 0.00 C ATOM 1103 OH TYR A 69 9.126 0.485 -11.221 1.00 0.00 O ATOM 0 H TYR A 69 6.942 1.879 -3.370 1.00 0.00 H new ATOM 0 HA TYR A 69 8.494 3.254 -5.453 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.416 0.962 -5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.807 0.283 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.108 2.481 -7.286 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.223 -0.658 -7.298 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.402 2.211 -9.713 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.515 -0.924 -9.718 1.00 0.00 H new ATOM 0 HH TYR A 69 8.543 -0.234 -11.543 1.00 0.00 H new ATOM 1113 N ARG A 70 6.522 3.407 -6.884 1.00 0.00 N ATOM 1114 CA ARG A 70 5.371 3.586 -7.727 1.00 0.00 C ATOM 1115 C ARG A 70 5.639 2.875 -9.031 1.00 0.00 C ATOM 1116 O ARG A 70 6.777 2.906 -9.522 1.00 0.00 O ATOM 1117 CB ARG A 70 4.960 5.097 -7.880 1.00 0.00 C ATOM 1118 CG ARG A 70 6.060 6.137 -8.249 1.00 0.00 C ATOM 1119 CD ARG A 70 6.235 6.410 -9.764 1.00 0.00 C ATOM 1120 NE ARG A 70 6.876 5.312 -10.500 1.00 0.00 N ATOM 1121 CZ ARG A 70 7.317 5.352 -11.761 1.00 0.00 C ATOM 1122 NH1 ARG A 70 7.220 6.481 -12.474 1.00 0.00 N ATOM 1123 NH2 ARG A 70 7.863 4.252 -12.306 1.00 0.00 N ATOM 0 H ARG A 70 7.349 3.915 -7.198 1.00 0.00 H new ATOM 0 HA ARG A 70 4.491 3.138 -7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.183 5.153 -8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.508 5.413 -6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.827 7.079 -7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.012 5.791 -7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.256 6.605 -10.203 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.828 7.315 -9.893 1.00 0.00 H new ATOM 0 HE ARG A 70 6.996 4.432 -9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.808 7.315 -12.055 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.558 6.507 -13.436 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.938 3.395 -11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.202 4.274 -13.268 1.00 0.00 H new