USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 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 18 THR OG1 : rot 180:sc= -2 USER MOD Set 1.2: A 21 MET CE :methyl 154:sc= -4.8 (180deg=-2.82) USER MOD Single : A 4 SER OG : rot 170:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.88 K(o=-2.9,f=-3.8!) USER MOD Single : A 9 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.057) USER MOD Single : A 14 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.5!) USER MOD Single : A 15 THR OG1 : rot 93:sc= -0.681 USER MOD Single : A 22 MET CE :methyl -128:sc= -4.21! (180deg=-6.82!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A 42 SER OG : rot 180:sc= -0.568 USER MOD Single : A 43 MET CE :methyl 153:sc= -1.59 (180deg=-1.71) USER MOD Single : A 44 GLN : amide:sc= -0.0226 K(o=-0.023,f=-0.78) USER MOD Single : A 46 ASN : amide:sc= -2.53 K(o=-2.5,f=-8.2!) USER MOD Single : A 53 THR OG1 : rot 117:sc= 1.14 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= -0.0552 (180deg=-0.0552) USER MOD Single : A 59 MET CE :methyl -177:sc= -2.25 (180deg=-2.4) USER MOD Single : A 61 LYS NZ :NH3+ -122:sc= -0.0219 (180deg=-0.32) USER MOD Single : A 63 TYR OH : rot -18:sc= 0.753 USER MOD ----------------------------------------------------------------- ATOM 32 N ALA A 3 -10.153 -8.730 -4.299 1.00 0.00 N ATOM 33 CA ALA A 3 -9.234 -8.297 -3.247 1.00 0.00 C ATOM 34 C ALA A 3 -8.163 -7.373 -3.818 1.00 0.00 C ATOM 35 O ALA A 3 -7.460 -7.721 -4.766 1.00 0.00 O ATOM 36 CB ALA A 3 -8.554 -9.502 -2.589 1.00 0.00 C ATOM 0 HA ALA A 3 -9.817 -7.760 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.875 -9.156 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.311 -10.151 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.992 -10.057 -3.340 1.00 0.00 H new ATOM 42 N SER A 4 -8.048 -6.187 -3.228 1.00 0.00 N ATOM 43 CA SER A 4 -7.059 -5.214 -3.683 1.00 0.00 C ATOM 44 C SER A 4 -6.048 -4.926 -2.578 1.00 0.00 C ATOM 45 O SER A 4 -6.100 -5.516 -1.499 1.00 0.00 O ATOM 46 CB SER A 4 -7.742 -3.907 -4.086 1.00 0.00 C ATOM 47 OG SER A 4 -8.623 -4.153 -5.174 1.00 0.00 O ATOM 0 H SER A 4 -8.620 -5.878 -2.442 1.00 0.00 H new ATOM 0 HA SER A 4 -6.544 -5.636 -4.546 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.295 -3.497 -3.241 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.995 -3.165 -4.369 1.00 0.00 H new ATOM 0 HG SER A 4 -9.179 -3.361 -5.330 1.00 0.00 H new ATOM 53 N VAL A 5 -5.127 -4.011 -2.861 1.00 0.00 N ATOM 54 CA VAL A 5 -4.103 -3.647 -1.884 1.00 0.00 C ATOM 55 C VAL A 5 -4.516 -2.388 -1.129 1.00 0.00 C ATOM 56 O VAL A 5 -5.213 -1.527 -1.663 1.00 0.00 O ATOM 57 CB VAL A 5 -2.760 -3.397 -2.576 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.666 -3.223 -1.521 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.415 -4.590 -3.471 1.00 0.00 C ATOM 0 H VAL A 5 -5.067 -3.512 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.997 -4.475 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.829 -2.494 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.710 -3.045 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.908 -2.374 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.599 -4.126 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.459 -4.411 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.347 -5.493 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.193 -4.717 -4.224 1.00 0.00 H new ATOM 69 N VAL A 6 -4.074 -2.292 0.122 1.00 0.00 N ATOM 70 CA VAL A 6 -4.399 -1.135 0.948 1.00 0.00 C ATOM 71 C VAL A 6 -3.236 -0.813 1.882 1.00 0.00 C ATOM 72 O VAL A 6 -2.445 -1.686 2.238 1.00 0.00 O ATOM 73 CB VAL A 6 -5.652 -1.410 1.782 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.067 -0.137 2.523 1.00 0.00 C ATOM 75 CG2 VAL A 6 -6.790 -1.849 0.859 1.00 0.00 C ATOM 0 H VAL A 6 -3.495 -2.995 0.582 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.584 -0.286 0.290 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.439 -2.198 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.960 -0.336 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.258 0.181 3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.279 0.651 1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.684 -2.045 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.999 -1.059 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.499 -2.756 0.329 1.00 0.00 H new ATOM 85 N ALA A 7 -3.143 0.454 2.274 1.00 0.00 N ATOM 86 CA ALA A 7 -2.074 0.888 3.168 1.00 0.00 C ATOM 87 C ALA A 7 -2.409 0.525 4.612 1.00 0.00 C ATOM 88 O ALA A 7 -3.432 0.946 5.152 1.00 0.00 O ATOM 89 CB ALA A 7 -1.873 2.400 3.068 1.00 0.00 C ATOM 0 H ALA A 7 -3.788 1.192 1.990 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.157 0.381 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.072 2.706 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.608 2.665 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.796 2.909 3.347 1.00 0.00 H new ATOM 95 N ASN A 8 -1.533 -0.262 5.230 1.00 0.00 N ATOM 96 CA ASN A 8 -1.743 -0.677 6.614 1.00 0.00 C ATOM 97 C ASN A 8 -0.907 0.179 7.562 1.00 0.00 C ATOM 98 O ASN A 8 -0.481 -0.280 8.622 1.00 0.00 O ATOM 99 CB ASN A 8 -1.353 -2.146 6.798 1.00 0.00 C ATOM 100 CG ASN A 8 -2.000 -2.689 8.067 1.00 0.00 C ATOM 101 OD1 ASN A 8 -2.310 -1.933 8.987 1.00 0.00 O ATOM 102 ND2 ASN A 8 -2.224 -3.970 8.173 1.00 0.00 N ATOM 0 H ASN A 8 -0.680 -0.622 4.801 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.801 -0.549 6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.674 -2.729 5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.269 -2.240 6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.656 -4.344 9.018 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.967 -4.597 7.411 1.00 0.00 H new ATOM 109 N GLN A 9 -0.678 1.430 7.169 1.00 0.00 N ATOM 110 CA GLN A 9 0.109 2.348 7.990 1.00 0.00 C ATOM 111 C GLN A 9 0.212 3.707 7.301 1.00 0.00 C ATOM 112 O GLN A 9 -0.018 3.827 6.097 1.00 0.00 O ATOM 113 CB GLN A 9 1.523 1.786 8.224 1.00 0.00 C ATOM 114 CG GLN A 9 1.681 1.368 9.689 1.00 0.00 C ATOM 115 CD GLN A 9 3.158 1.399 10.070 1.00 0.00 C ATOM 116 OE1 GLN A 9 3.693 0.416 10.582 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.854 2.480 9.848 1.00 0.00 N ATOM 0 H GLN A 9 -1.022 1.829 6.296 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.391 2.463 8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.696 0.930 7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.270 2.538 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.114 2.040 10.333 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.277 0.367 9.838 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.410 3.294 9.424 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.842 2.511 10.099 1.00 0.00 H new ATOM 126 N LEU A 10 0.559 4.727 8.078 1.00 0.00 N ATOM 127 CA LEU A 10 0.691 6.074 7.534 1.00 0.00 C ATOM 128 C LEU A 10 1.909 6.162 6.619 1.00 0.00 C ATOM 129 O LEU A 10 3.037 6.335 7.080 1.00 0.00 O ATOM 130 CB LEU A 10 0.838 7.098 8.662 1.00 0.00 C ATOM 131 CG LEU A 10 0.763 8.513 8.084 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.636 8.761 7.515 1.00 0.00 C ATOM 133 CD2 LEU A 10 1.050 9.530 9.191 1.00 0.00 C ATOM 0 H LEU A 10 0.752 4.649 9.076 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.210 6.295 6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.051 6.954 9.402 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.788 6.954 9.176 1.00 0.00 H new ATOM 0 HG LEU A 10 1.501 8.620 7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.688 9.769 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.842 8.037 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.376 8.654 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.997 10.539 8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.311 9.422 9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.047 9.355 9.596 1.00 0.00 H new ATOM 145 N ILE A 11 1.666 6.041 5.317 1.00 0.00 N ATOM 146 CA ILE A 11 2.746 6.106 4.337 1.00 0.00 C ATOM 147 C ILE A 11 2.964 7.560 3.889 1.00 0.00 C ATOM 148 O ILE A 11 2.102 8.134 3.222 1.00 0.00 O ATOM 149 CB ILE A 11 2.405 5.258 3.108 1.00 0.00 C ATOM 150 CG1 ILE A 11 2.027 3.838 3.544 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.618 5.194 2.179 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.015 3.255 2.558 1.00 0.00 C ATOM 0 H ILE A 11 0.738 5.898 4.918 1.00 0.00 H new ATOM 0 HA ILE A 11 3.653 5.722 4.804 1.00 0.00 H new ATOM 0 HB ILE A 11 1.564 5.711 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.916 3.209 3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.604 3.855 4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.375 4.590 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.887 6.202 1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.458 4.744 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.746 2.245 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.122 3.880 2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.455 3.224 1.561 1.00 0.00 H new ATOM 164 N PRO A 12 4.105 8.185 4.239 1.00 0.00 N ATOM 165 CA PRO A 12 4.375 9.580 3.843 1.00 0.00 C ATOM 166 C PRO A 12 4.923 9.691 2.422 1.00 0.00 C ATOM 167 O PRO A 12 5.545 8.762 1.906 1.00 0.00 O ATOM 168 CB PRO A 12 5.423 10.011 4.861 1.00 0.00 C ATOM 169 CG PRO A 12 6.110 8.746 5.361 1.00 0.00 C ATOM 170 CD PRO A 12 5.189 7.565 5.039 1.00 0.00 C ATOM 0 HA PRO A 12 3.475 10.195 3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.146 10.688 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.959 10.549 5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.079 8.619 4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.294 8.808 6.434 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.710 6.790 4.477 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.803 7.097 5.945 1.00 0.00 H new ATOM 178 N ILE A 13 4.685 10.841 1.798 1.00 0.00 N ATOM 179 CA ILE A 13 5.158 11.069 0.435 1.00 0.00 C ATOM 180 C ILE A 13 6.686 10.994 0.382 1.00 0.00 C ATOM 181 O ILE A 13 7.369 11.238 1.377 1.00 0.00 O ATOM 182 CB ILE A 13 4.679 12.439 -0.072 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.094 12.610 -1.538 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.289 13.561 0.778 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.550 13.935 -2.082 1.00 0.00 C ATOM 0 H ILE A 13 4.173 11.622 2.208 1.00 0.00 H new ATOM 0 HA ILE A 13 4.747 10.292 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 13 3.593 12.492 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.181 12.591 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.714 11.779 -2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.942 14.526 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.983 13.438 1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.376 13.517 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.848 14.050 -3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.462 13.937 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.952 14.761 -1.496 1.00 0.00 H new ATOM 197 N ASN A 14 7.209 10.652 -0.793 1.00 0.00 N ATOM 198 CA ASN A 14 8.656 10.544 -0.974 1.00 0.00 C ATOM 199 C ASN A 14 9.233 9.479 -0.046 1.00 0.00 C ATOM 200 O ASN A 14 10.362 9.592 0.430 1.00 0.00 O ATOM 201 CB ASN A 14 9.339 11.883 -0.680 1.00 0.00 C ATOM 202 CG ASN A 14 9.381 12.723 -1.951 1.00 0.00 C ATOM 203 OD1 ASN A 14 9.385 12.184 -3.058 1.00 0.00 O ATOM 204 ND2 ASN A 14 9.415 14.024 -1.859 1.00 0.00 N ATOM 0 H ASN A 14 6.659 10.446 -1.627 1.00 0.00 H new ATOM 0 HA ASN A 14 8.842 10.263 -2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.798 12.415 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.350 11.714 -0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.445 14.594 -2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.412 14.471 -0.942 1.00 0.00 H new ATOM 211 N THR A 15 8.441 8.440 0.204 1.00 0.00 N ATOM 212 CA THR A 15 8.877 7.353 1.077 1.00 0.00 C ATOM 213 C THR A 15 8.596 6.002 0.426 1.00 0.00 C ATOM 214 O THR A 15 7.612 5.835 -0.294 1.00 0.00 O ATOM 215 CB THR A 15 8.150 7.419 2.421 1.00 0.00 C ATOM 216 OG1 THR A 15 8.263 8.732 2.956 1.00 0.00 O ATOM 217 CG2 THR A 15 8.773 6.416 3.393 1.00 0.00 C ATOM 0 H THR A 15 7.503 8.327 -0.181 1.00 0.00 H new ATOM 0 HA THR A 15 9.949 7.463 1.240 1.00 0.00 H new ATOM 0 HB THR A 15 7.098 7.174 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.486 9.264 2.685 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.253 6.465 4.350 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.685 5.410 2.984 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.826 6.657 3.540 1.00 0.00 H new ATOM 225 N ALA A 16 9.476 5.038 0.688 1.00 0.00 N ATOM 226 CA ALA A 16 9.315 3.702 0.123 1.00 0.00 C ATOM 227 C ALA A 16 8.272 2.912 0.908 1.00 0.00 C ATOM 228 O ALA A 16 8.022 3.184 2.083 1.00 0.00 O ATOM 229 CB ALA A 16 10.643 2.942 0.158 1.00 0.00 C ATOM 0 H ALA A 16 10.298 5.155 1.281 1.00 0.00 H new ATOM 0 HA ALA A 16 8.986 3.813 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.505 1.948 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.388 3.485 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.983 2.851 1.190 1.00 0.00 H new ATOM 235 N LEU A 17 7.667 1.931 0.245 1.00 0.00 N ATOM 236 CA LEU A 17 6.649 1.105 0.889 1.00 0.00 C ATOM 237 C LEU A 17 7.289 -0.112 1.548 1.00 0.00 C ATOM 238 O LEU A 17 8.456 -0.424 1.310 1.00 0.00 O ATOM 239 CB LEU A 17 5.618 0.629 -0.137 1.00 0.00 C ATOM 240 CG LEU A 17 4.797 1.821 -0.628 1.00 0.00 C ATOM 241 CD1 LEU A 17 3.954 1.401 -1.833 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.875 2.301 0.496 1.00 0.00 C ATOM 0 H LEU A 17 7.860 1.690 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 17 6.154 1.712 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.120 0.150 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.962 -0.118 0.311 1.00 0.00 H new ATOM 0 HG LEU A 17 5.469 2.629 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.369 2.252 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.609 1.058 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.282 0.593 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.289 3.151 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.204 1.492 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.475 2.602 1.355 1.00 0.00 H new ATOM 254 N THR A 18 6.509 -0.797 2.381 1.00 0.00 N ATOM 255 CA THR A 18 7.007 -1.982 3.073 1.00 0.00 C ATOM 256 C THR A 18 5.866 -2.962 3.334 1.00 0.00 C ATOM 257 O THR A 18 4.694 -2.635 3.150 1.00 0.00 O ATOM 258 CB THR A 18 7.648 -1.596 4.407 1.00 0.00 C ATOM 259 OG1 THR A 18 6.929 -0.514 4.981 1.00 0.00 O ATOM 260 CG2 THR A 18 9.102 -1.179 4.175 1.00 0.00 C ATOM 0 H THR A 18 5.541 -0.555 2.591 1.00 0.00 H new ATOM 0 HA THR A 18 7.756 -2.454 2.437 1.00 0.00 H new ATOM 0 HB THR A 18 7.621 -2.450 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.338 -0.267 5.837 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.558 -0.904 5.126 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.653 -2.010 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.132 -0.325 3.498 1.00 0.00 H new ATOM 268 N LEU A 19 6.225 -4.168 3.764 1.00 0.00 N ATOM 269 CA LEU A 19 5.223 -5.193 4.050 1.00 0.00 C ATOM 270 C LEU A 19 4.299 -4.735 5.175 1.00 0.00 C ATOM 271 O LEU A 19 3.113 -5.063 5.196 1.00 0.00 O ATOM 272 CB LEU A 19 5.900 -6.507 4.464 1.00 0.00 C ATOM 273 CG LEU A 19 6.403 -7.270 3.227 1.00 0.00 C ATOM 274 CD1 LEU A 19 5.225 -7.621 2.316 1.00 0.00 C ATOM 275 CD2 LEU A 19 7.407 -6.406 2.455 1.00 0.00 C ATOM 0 H LEU A 19 7.190 -4.459 3.921 1.00 0.00 H new ATOM 0 HA LEU A 19 4.640 -5.355 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.735 -6.297 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.195 -7.127 5.018 1.00 0.00 H new ATOM 0 HG LEU A 19 6.892 -8.188 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.589 -8.161 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.518 -8.247 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.728 -6.706 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.760 -6.952 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.923 -5.483 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.253 -6.168 3.099 1.00 0.00 H new ATOM 287 N VAL A 20 4.859 -3.972 6.108 1.00 0.00 N ATOM 288 CA VAL A 20 4.078 -3.470 7.237 1.00 0.00 C ATOM 289 C VAL A 20 3.070 -2.419 6.774 1.00 0.00 C ATOM 290 O VAL A 20 2.018 -2.240 7.388 1.00 0.00 O ATOM 291 CB VAL A 20 4.995 -2.852 8.297 1.00 0.00 C ATOM 292 CG1 VAL A 20 5.829 -3.953 8.954 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.930 -1.832 7.641 1.00 0.00 C ATOM 0 H VAL A 20 5.839 -3.689 6.108 1.00 0.00 H new ATOM 0 HA VAL A 20 3.543 -4.315 7.670 1.00 0.00 H new ATOM 0 HB VAL A 20 4.387 -2.353 9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.482 -3.514 9.708 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.167 -4.679 9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.434 -4.452 8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.580 -1.395 8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.537 -2.329 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.339 -1.045 7.173 1.00 0.00 H new ATOM 303 N MET A 21 3.400 -1.725 5.686 1.00 0.00 N ATOM 304 CA MET A 21 2.510 -0.694 5.155 1.00 0.00 C ATOM 305 C MET A 21 1.693 -1.240 3.986 1.00 0.00 C ATOM 306 O MET A 21 1.333 -0.505 3.066 1.00 0.00 O ATOM 307 CB MET A 21 3.317 0.515 4.675 1.00 0.00 C ATOM 308 CG MET A 21 4.091 1.113 5.852 1.00 0.00 C ATOM 309 SD MET A 21 4.820 2.694 5.359 1.00 0.00 S ATOM 310 CE MET A 21 6.131 2.023 4.307 1.00 0.00 C ATOM 0 H MET A 21 4.265 -1.855 5.161 1.00 0.00 H new ATOM 0 HA MET A 21 1.837 -0.388 5.956 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.008 0.215 3.887 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.650 1.264 4.247 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.425 1.258 6.702 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.873 0.425 6.173 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.408 2.762 3.555 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.001 1.783 4.918 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.774 1.119 3.813 1.00 0.00 H new ATOM 320 N MET A 22 1.404 -2.539 4.030 1.00 0.00 N ATOM 321 CA MET A 22 0.627 -3.172 2.968 1.00 0.00 C ATOM 322 C MET A 22 -0.176 -4.346 3.520 1.00 0.00 C ATOM 323 O MET A 22 0.283 -5.069 4.405 1.00 0.00 O ATOM 324 CB MET A 22 1.550 -3.678 1.857 1.00 0.00 C ATOM 325 CG MET A 22 2.164 -2.485 1.120 1.00 0.00 C ATOM 326 SD MET A 22 2.512 -2.949 -0.594 1.00 0.00 S ATOM 327 CE MET A 22 3.581 -4.364 -0.237 1.00 0.00 C ATOM 0 H MET A 22 1.692 -3.167 4.780 1.00 0.00 H new ATOM 0 HA MET A 22 -0.055 -2.425 2.561 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.337 -4.302 2.280 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.990 -4.301 1.160 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.480 -1.636 1.147 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.082 -2.170 1.616 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.517 -4.261 -0.786 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.790 -4.402 0.832 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.081 -5.284 -0.542 1.00 0.00 H new ATOM 337 N ARG A 23 -1.381 -4.529 2.986 1.00 0.00 N ATOM 338 CA ARG A 23 -2.242 -5.620 3.433 1.00 0.00 C ATOM 339 C ARG A 23 -3.309 -5.923 2.385 1.00 0.00 C ATOM 340 O ARG A 23 -3.555 -5.127 1.479 1.00 0.00 O ATOM 341 CB ARG A 23 -2.929 -5.256 4.751 1.00 0.00 C ATOM 342 CG ARG A 23 -3.675 -3.930 4.591 1.00 0.00 C ATOM 343 CD ARG A 23 -4.518 -3.665 5.840 1.00 0.00 C ATOM 344 NE ARG A 23 -5.736 -2.939 5.494 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.314 -2.116 6.365 1.00 0.00 C ATOM 346 NH1 ARG A 23 -7.116 -2.592 7.278 1.00 0.00 N ATOM 347 NH2 ARG A 23 -6.078 -0.834 6.307 1.00 0.00 N ATOM 0 H ARG A 23 -1.780 -3.944 2.252 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.617 -6.501 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.625 -6.044 5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.190 -5.175 5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.965 -3.117 4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.314 -3.964 3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.775 -4.610 6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.938 -3.090 6.561 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.150 -3.065 4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.299 -3.594 7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.559 -1.962 7.946 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.450 -0.463 5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.521 -0.203 6.975 1.00 0.00 H new ATOM 361 N SER A 24 -3.941 -7.085 2.521 1.00 0.00 N ATOM 362 CA SER A 24 -4.986 -7.490 1.584 1.00 0.00 C ATOM 363 C SER A 24 -6.364 -7.169 2.156 1.00 0.00 C ATOM 364 O SER A 24 -6.652 -7.457 3.318 1.00 0.00 O ATOM 365 CB SER A 24 -4.901 -8.990 1.303 1.00 0.00 C ATOM 366 OG SER A 24 -5.837 -9.331 0.288 1.00 0.00 O ATOM 0 H SER A 24 -3.751 -7.758 3.264 1.00 0.00 H new ATOM 0 HA SER A 24 -4.839 -6.939 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.892 -9.256 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.110 -9.554 2.212 1.00 0.00 H new ATOM 0 HG SER A 24 -5.784 -10.292 0.104 1.00 0.00 H new ATOM 372 N GLU A 25 -7.212 -6.567 1.327 1.00 0.00 N ATOM 373 CA GLU A 25 -8.560 -6.208 1.762 1.00 0.00 C ATOM 374 C GLU A 25 -9.410 -5.783 0.569 1.00 0.00 C ATOM 375 O GLU A 25 -8.913 -5.190 -0.388 1.00 0.00 O ATOM 376 CB GLU A 25 -8.510 -5.060 2.772 1.00 0.00 C ATOM 377 CG GLU A 25 -9.900 -4.849 3.376 1.00 0.00 C ATOM 378 CD GLU A 25 -9.801 -3.893 4.561 1.00 0.00 C ATOM 379 OE1 GLU A 25 -9.304 -4.312 5.594 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.223 -2.758 4.418 1.00 0.00 O ATOM 0 H GLU A 25 -6.995 -6.320 0.362 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.005 -7.085 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.790 -5.285 3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.172 -4.146 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.577 -4.444 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.316 -5.803 3.699 1.00 0.00 H new ATOM 387 N VAL A 26 -10.701 -6.095 0.639 1.00 0.00 N ATOM 388 CA VAL A 26 -11.621 -5.742 -0.440 1.00 0.00 C ATOM 389 C VAL A 26 -11.991 -4.264 -0.361 1.00 0.00 C ATOM 390 O VAL A 26 -12.365 -3.759 0.698 1.00 0.00 O ATOM 391 CB VAL A 26 -12.898 -6.584 -0.357 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.753 -6.341 -1.601 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.529 -8.067 -0.276 1.00 0.00 C ATOM 0 H VAL A 26 -11.131 -6.586 1.422 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.120 -5.941 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.461 -6.300 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.661 -6.941 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.018 -5.285 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.190 -6.624 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.438 -8.665 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.965 -8.351 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.921 -8.243 0.611 1.00 0.00 H new ATOM 403 N VAL A 27 -11.883 -3.577 -1.495 1.00 0.00 N ATOM 404 CA VAL A 27 -12.209 -2.155 -1.547 1.00 0.00 C ATOM 405 C VAL A 27 -12.593 -1.749 -2.967 1.00 0.00 C ATOM 406 O VAL A 27 -12.515 -2.550 -3.898 1.00 0.00 O ATOM 407 CB VAL A 27 -11.014 -1.313 -1.095 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.738 -1.570 0.387 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.781 -1.700 -1.916 1.00 0.00 C ATOM 0 H VAL A 27 -11.576 -3.977 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.050 -1.979 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.237 -0.257 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.887 -0.970 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.616 -1.298 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.515 -2.626 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.928 -1.101 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.560 -2.757 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.976 -1.518 -2.973 1.00 0.00 H new ATOM 419 N THR A 28 -13.006 -0.495 -3.120 1.00 0.00 N ATOM 420 CA THR A 28 -13.400 0.011 -4.433 1.00 0.00 C ATOM 421 C THR A 28 -12.759 1.382 -4.689 1.00 0.00 C ATOM 422 O THR A 28 -12.601 2.175 -3.761 1.00 0.00 O ATOM 423 CB THR A 28 -14.922 0.145 -4.520 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.276 0.738 -5.764 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.427 1.020 -3.371 1.00 0.00 C ATOM 0 H THR A 28 -13.077 0.184 -2.362 1.00 0.00 H new ATOM 0 HA THR A 28 -13.057 -0.698 -5.187 1.00 0.00 H new ATOM 0 HB THR A 28 -15.378 -0.843 -4.447 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.251 0.822 -5.821 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.511 1.114 -3.435 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.158 0.562 -2.419 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.972 2.008 -3.439 1.00 0.00 H new ATOM 433 N PRO A 29 -12.380 1.685 -5.944 1.00 0.00 N ATOM 434 CA PRO A 29 -12.541 0.775 -7.103 1.00 0.00 C ATOM 435 C PRO A 29 -11.450 -0.290 -7.168 1.00 0.00 C ATOM 436 O PRO A 29 -10.457 -0.228 -6.444 1.00 0.00 O ATOM 437 CB PRO A 29 -12.439 1.731 -8.285 1.00 0.00 C ATOM 438 CG PRO A 29 -11.661 2.950 -7.805 1.00 0.00 C ATOM 439 CD PRO A 29 -11.750 2.979 -6.276 1.00 0.00 C ATOM 0 HA PRO A 29 -13.471 0.208 -7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.931 1.255 -9.124 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.430 2.019 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.621 2.893 -8.128 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.077 3.863 -8.231 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.766 3.076 -5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.349 3.819 -5.924 1.00 0.00 H new ATOM 447 N VAL A 30 -11.649 -1.270 -8.045 1.00 0.00 N ATOM 448 CA VAL A 30 -10.678 -2.350 -8.198 1.00 0.00 C ATOM 449 C VAL A 30 -9.327 -1.791 -8.656 1.00 0.00 C ATOM 450 O VAL A 30 -9.181 -1.323 -9.785 1.00 0.00 O ATOM 451 CB VAL A 30 -11.191 -3.391 -9.209 1.00 0.00 C ATOM 452 CG1 VAL A 30 -11.382 -2.740 -10.583 1.00 0.00 C ATOM 453 CG2 VAL A 30 -10.190 -4.546 -9.325 1.00 0.00 C ATOM 0 H VAL A 30 -12.464 -1.339 -8.654 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.546 -2.836 -7.231 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.148 -3.777 -8.859 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.745 -3.485 -11.291 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.107 -1.930 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.430 -2.341 -10.932 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.561 -5.278 -10.042 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.228 -4.161 -9.664 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.068 -5.021 -8.352 1.00 0.00 H new ATOM 463 N GLY A 31 -8.346 -1.849 -7.762 1.00 0.00 N ATOM 464 CA GLY A 31 -7.009 -1.350 -8.075 1.00 0.00 C ATOM 465 C GLY A 31 -6.017 -2.503 -8.176 1.00 0.00 C ATOM 466 O GLY A 31 -6.290 -3.521 -8.812 1.00 0.00 O ATOM 0 H GLY A 31 -8.448 -2.233 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.031 -0.799 -9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.686 -0.651 -7.303 1.00 0.00 H new ATOM 470 N ILE A 32 -4.863 -2.334 -7.537 1.00 0.00 N ATOM 471 CA ILE A 32 -3.837 -3.371 -7.557 1.00 0.00 C ATOM 472 C ILE A 32 -4.345 -4.619 -6.816 1.00 0.00 C ATOM 473 O ILE A 32 -4.996 -4.498 -5.780 1.00 0.00 O ATOM 474 CB ILE A 32 -2.556 -2.864 -6.883 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.089 -1.582 -7.582 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.457 -3.925 -6.985 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.887 -0.987 -6.838 1.00 0.00 C ATOM 0 H ILE A 32 -4.617 -1.499 -7.005 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.617 -3.626 -8.594 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.761 -2.659 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.817 -1.800 -8.615 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.903 -0.858 -7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.551 -3.557 -6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.786 -4.838 -6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.251 -4.136 -8.034 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.562 -0.077 -7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.173 -0.752 -5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.070 -1.709 -6.830 1.00 0.00 H new ATOM 489 N PRO A 33 -4.063 -5.831 -7.330 1.00 0.00 N ATOM 490 CA PRO A 33 -4.520 -7.071 -6.678 1.00 0.00 C ATOM 491 C PRO A 33 -3.624 -7.489 -5.515 1.00 0.00 C ATOM 492 O PRO A 33 -2.531 -6.953 -5.329 1.00 0.00 O ATOM 493 CB PRO A 33 -4.447 -8.085 -7.813 1.00 0.00 C ATOM 494 CG PRO A 33 -3.434 -7.556 -8.821 1.00 0.00 C ATOM 495 CD PRO A 33 -3.283 -6.051 -8.573 1.00 0.00 C ATOM 0 HA PRO A 33 -5.510 -6.969 -6.233 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.143 -9.062 -7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.424 -8.213 -8.279 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.476 -8.062 -8.704 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.772 -7.745 -9.840 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.238 -5.767 -8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.676 -5.465 -9.404 1.00 0.00 H new ATOM 503 N ALA A 34 -4.104 -8.452 -4.733 1.00 0.00 N ATOM 504 CA ALA A 34 -3.342 -8.940 -3.584 1.00 0.00 C ATOM 505 C ALA A 34 -2.212 -9.886 -4.013 1.00 0.00 C ATOM 506 O ALA A 34 -1.438 -10.351 -3.176 1.00 0.00 O ATOM 507 CB ALA A 34 -4.264 -9.683 -2.615 1.00 0.00 C ATOM 0 H ALA A 34 -5.007 -8.907 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.903 -8.070 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.685 -10.041 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.044 -9.007 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.721 -10.531 -3.125 1.00 0.00 H new ATOM 513 N GLU A 35 -2.116 -10.172 -5.315 1.00 0.00 N ATOM 514 CA GLU A 35 -1.069 -11.064 -5.810 1.00 0.00 C ATOM 515 C GLU A 35 0.195 -10.289 -6.202 1.00 0.00 C ATOM 516 O GLU A 35 1.026 -10.791 -6.958 1.00 0.00 O ATOM 517 CB GLU A 35 -1.567 -11.844 -7.027 1.00 0.00 C ATOM 518 CG GLU A 35 -2.059 -10.865 -8.094 1.00 0.00 C ATOM 519 CD GLU A 35 -1.814 -11.454 -9.479 1.00 0.00 C ATOM 520 OE1 GLU A 35 -2.614 -12.269 -9.906 1.00 0.00 O ATOM 521 OE2 GLU A 35 -0.827 -11.081 -10.093 1.00 0.00 O ATOM 0 H GLU A 35 -2.740 -9.805 -6.033 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.822 -11.751 -5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.765 -12.463 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.374 -12.517 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.121 -10.664 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.539 -9.912 -7.996 1.00 0.00 H new ATOM 528 N ASP A 36 0.338 -9.067 -5.687 1.00 0.00 N ATOM 529 CA ASP A 36 1.512 -8.258 -6.006 1.00 0.00 C ATOM 530 C ASP A 36 1.996 -7.502 -4.770 1.00 0.00 C ATOM 531 O ASP A 36 2.563 -6.414 -4.874 1.00 0.00 O ATOM 532 CB ASP A 36 1.184 -7.250 -7.109 1.00 0.00 C ATOM 533 CG ASP A 36 1.193 -7.955 -8.461 1.00 0.00 C ATOM 534 OD1 ASP A 36 0.272 -8.713 -8.718 1.00 0.00 O ATOM 535 OD2 ASP A 36 2.121 -7.727 -9.220 1.00 0.00 O ATOM 0 H ASP A 36 -0.332 -8.623 -5.059 1.00 0.00 H new ATOM 0 HA ASP A 36 2.298 -8.931 -6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.207 -6.801 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.913 -6.440 -7.104 1.00 0.00 H new ATOM 540 N ILE A 37 1.772 -8.094 -3.601 1.00 0.00 N ATOM 541 CA ILE A 37 2.195 -7.472 -2.349 1.00 0.00 C ATOM 542 C ILE A 37 3.730 -7.463 -2.225 1.00 0.00 C ATOM 543 O ILE A 37 4.308 -6.429 -1.889 1.00 0.00 O ATOM 544 CB ILE A 37 1.574 -8.199 -1.150 1.00 0.00 C ATOM 545 CG1 ILE A 37 0.051 -8.208 -1.304 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.943 -7.474 0.148 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.536 -9.390 -0.531 1.00 0.00 C ATOM 0 H ILE A 37 1.305 -8.994 -3.493 1.00 0.00 H new ATOM 0 HA ILE A 37 1.846 -6.439 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 37 1.953 -9.220 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.368 -7.273 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.218 -8.280 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.498 -7.996 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.027 -7.458 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.566 -6.452 0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.620 -9.395 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.127 -10.321 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.280 -9.298 0.524 1.00 0.00 H new ATOM 559 N PRO A 38 4.423 -8.588 -2.494 1.00 0.00 N ATOM 560 CA PRO A 38 5.897 -8.619 -2.396 1.00 0.00 C ATOM 561 C PRO A 38 6.581 -7.938 -3.583 1.00 0.00 C ATOM 562 O PRO A 38 7.735 -7.522 -3.495 1.00 0.00 O ATOM 563 CB PRO A 38 6.201 -10.111 -2.378 1.00 0.00 C ATOM 564 CG PRO A 38 5.024 -10.810 -3.040 1.00 0.00 C ATOM 565 CD PRO A 38 3.816 -9.879 -2.910 1.00 0.00 C ATOM 0 HA PRO A 38 6.266 -8.079 -1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.127 -10.323 -2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.335 -10.465 -1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.239 -11.017 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.825 -11.768 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.277 -9.785 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.103 -10.245 -2.171 1.00 0.00 H new ATOM 573 N ARG A 39 5.853 -7.823 -4.692 1.00 0.00 N ATOM 574 CA ARG A 39 6.398 -7.185 -5.887 1.00 0.00 C ATOM 575 C ARG A 39 6.399 -5.665 -5.734 1.00 0.00 C ATOM 576 O ARG A 39 7.210 -4.968 -6.344 1.00 0.00 O ATOM 577 CB ARG A 39 5.569 -7.558 -7.120 1.00 0.00 C ATOM 578 CG ARG A 39 5.437 -9.080 -7.209 1.00 0.00 C ATOM 579 CD ARG A 39 6.772 -9.683 -7.649 1.00 0.00 C ATOM 580 NE ARG A 39 7.068 -9.324 -9.033 1.00 0.00 N ATOM 581 CZ ARG A 39 6.333 -9.797 -10.036 1.00 0.00 C ATOM 582 NH1 ARG A 39 6.649 -10.932 -10.597 1.00 0.00 N ATOM 583 NH2 ARG A 39 5.296 -9.126 -10.458 1.00 0.00 N ATOM 0 H ARG A 39 4.895 -8.159 -4.788 1.00 0.00 H new ATOM 0 HA ARG A 39 7.422 -7.537 -6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.582 -7.100 -7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.045 -7.171 -8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.143 -9.487 -6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.654 -9.347 -7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.570 -9.328 -6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.738 -10.768 -7.549 1.00 0.00 H new ATOM 0 HE ARG A 39 7.850 -8.701 -9.234 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.459 -11.456 -10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.086 -11.295 -11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.049 -8.239 -10.019 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.732 -9.489 -11.227 1.00 0.00 H new ATOM 597 N LEU A 40 5.479 -5.156 -4.913 1.00 0.00 N ATOM 598 CA LEU A 40 5.382 -3.716 -4.692 1.00 0.00 C ATOM 599 C LEU A 40 6.104 -3.315 -3.405 1.00 0.00 C ATOM 600 O LEU A 40 5.682 -2.399 -2.699 1.00 0.00 O ATOM 601 CB LEU A 40 3.915 -3.289 -4.590 1.00 0.00 C ATOM 602 CG LEU A 40 3.296 -3.243 -5.988 1.00 0.00 C ATOM 603 CD1 LEU A 40 1.831 -3.676 -5.913 1.00 0.00 C ATOM 604 CD2 LEU A 40 3.378 -1.816 -6.535 1.00 0.00 C ATOM 0 H LEU A 40 4.799 -5.713 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 40 5.852 -3.217 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.365 -3.989 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.843 -2.310 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 40 3.841 -3.918 -6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.390 -3.643 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.771 -4.692 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.286 -3.002 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.937 -1.782 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.834 -1.141 -5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.422 -1.507 -6.590 1.00 0.00 H new ATOM 616 N VAL A 41 7.198 -4.012 -3.108 1.00 0.00 N ATOM 617 CA VAL A 41 7.970 -3.716 -1.904 1.00 0.00 C ATOM 618 C VAL A 41 9.045 -2.676 -2.208 1.00 0.00 C ATOM 619 O VAL A 41 9.662 -2.691 -3.273 1.00 0.00 O ATOM 620 CB VAL A 41 8.635 -4.987 -1.365 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.304 -4.689 -0.020 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.576 -6.074 -1.170 1.00 0.00 C ATOM 0 H VAL A 41 7.566 -4.775 -3.675 1.00 0.00 H new ATOM 0 HA VAL A 41 7.287 -3.323 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 41 9.386 -5.329 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.776 -5.595 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.060 -3.915 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.553 -4.345 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.049 -6.978 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.826 -5.728 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.098 -6.292 -2.125 1.00 0.00 H new ATOM 632 N SER A 42 9.260 -1.771 -1.256 1.00 0.00 N ATOM 633 CA SER A 42 10.264 -0.720 -1.423 1.00 0.00 C ATOM 634 C SER A 42 9.925 0.155 -2.627 1.00 0.00 C ATOM 635 O SER A 42 10.811 0.638 -3.333 1.00 0.00 O ATOM 636 CB SER A 42 11.653 -1.330 -1.623 1.00 0.00 C ATOM 637 OG SER A 42 11.770 -2.501 -0.825 1.00 0.00 O ATOM 0 H SER A 42 8.758 -1.743 -0.368 1.00 0.00 H new ATOM 0 HA SER A 42 10.265 -0.110 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.808 -1.575 -2.674 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.423 -0.609 -1.347 1.00 0.00 H new ATOM 0 HG SER A 42 12.658 -2.896 -0.952 1.00 0.00 H new ATOM 643 N MET A 43 8.629 0.356 -2.851 1.00 0.00 N ATOM 644 CA MET A 43 8.178 1.175 -3.972 1.00 0.00 C ATOM 645 C MET A 43 7.883 2.598 -3.506 1.00 0.00 C ATOM 646 O MET A 43 7.163 2.811 -2.530 1.00 0.00 O ATOM 647 CB MET A 43 6.912 0.583 -4.593 1.00 0.00 C ATOM 648 CG MET A 43 7.233 -0.783 -5.204 1.00 0.00 C ATOM 649 SD MET A 43 8.319 -0.562 -6.636 1.00 0.00 S ATOM 650 CE MET A 43 7.028 -0.596 -7.904 1.00 0.00 C ATOM 0 H MET A 43 7.880 -0.032 -2.278 1.00 0.00 H new ATOM 0 HA MET A 43 8.973 1.193 -4.717 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.136 0.481 -3.835 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.522 1.253 -5.359 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.715 -1.421 -4.463 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.313 -1.284 -5.505 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.356 -0.025 -8.773 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.835 -1.627 -8.199 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.114 -0.156 -7.505 1.00 0.00 H new ATOM 660 N GLN A 44 8.448 3.570 -4.217 1.00 0.00 N ATOM 661 CA GLN A 44 8.241 4.973 -3.870 1.00 0.00 C ATOM 662 C GLN A 44 6.955 5.494 -4.505 1.00 0.00 C ATOM 663 O GLN A 44 6.668 5.227 -5.672 1.00 0.00 O ATOM 664 CB GLN A 44 9.416 5.825 -4.355 1.00 0.00 C ATOM 665 CG GLN A 44 10.682 5.431 -3.590 1.00 0.00 C ATOM 666 CD GLN A 44 11.805 6.404 -3.929 1.00 0.00 C ATOM 667 OE1 GLN A 44 11.581 7.611 -4.028 1.00 0.00 O ATOM 668 NE2 GLN A 44 13.013 5.948 -4.117 1.00 0.00 N ATOM 0 H GLN A 44 9.046 3.415 -5.028 1.00 0.00 H new ATOM 0 HA GLN A 44 8.166 5.043 -2.785 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.566 5.682 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.200 6.882 -4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.489 5.441 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.976 4.414 -3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.199 4.949 -4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.771 6.591 -4.346 1.00 0.00 H new ATOM 677 N VAL A 45 6.185 6.242 -3.721 1.00 0.00 N ATOM 678 CA VAL A 45 4.928 6.799 -4.214 1.00 0.00 C ATOM 679 C VAL A 45 5.112 8.262 -4.606 1.00 0.00 C ATOM 680 O VAL A 45 6.091 8.904 -4.225 1.00 0.00 O ATOM 681 CB VAL A 45 3.843 6.705 -3.139 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.518 5.235 -2.869 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.344 7.362 -1.851 1.00 0.00 C ATOM 0 H VAL A 45 6.405 6.475 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 45 4.624 6.223 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 45 2.945 7.218 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.745 5.168 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.161 4.767 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.416 4.721 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.572 7.296 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.242 6.849 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.575 8.410 -2.043 1.00 0.00 H new ATOM 693 N ASN A 46 4.158 8.780 -5.375 1.00 0.00 N ATOM 694 CA ASN A 46 4.223 10.171 -5.817 1.00 0.00 C ATOM 695 C ASN A 46 3.104 10.987 -5.174 1.00 0.00 C ATOM 696 O ASN A 46 2.587 11.934 -5.768 1.00 0.00 O ATOM 697 CB ASN A 46 4.093 10.258 -7.340 1.00 0.00 C ATOM 698 CG ASN A 46 2.842 9.510 -7.790 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.878 9.387 -7.035 1.00 0.00 O ATOM 700 ND2 ASN A 46 2.800 8.998 -8.990 1.00 0.00 N ATOM 0 H ASN A 46 3.340 8.266 -5.702 1.00 0.00 H new ATOM 0 HA ASN A 46 5.189 10.575 -5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.037 11.301 -7.651 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.976 9.830 -7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.968 8.496 -9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.599 9.100 -9.616 1.00 0.00 H new ATOM 707 N ARG A 47 2.737 10.609 -3.953 1.00 0.00 N ATOM 708 CA ARG A 47 1.677 11.310 -3.233 1.00 0.00 C ATOM 709 C ARG A 47 1.475 10.695 -1.851 1.00 0.00 C ATOM 710 O ARG A 47 1.885 9.563 -1.594 1.00 0.00 O ATOM 711 CB ARG A 47 0.358 11.238 -4.009 1.00 0.00 C ATOM 712 CG ARG A 47 0.007 9.776 -4.295 1.00 0.00 C ATOM 713 CD ARG A 47 -0.694 9.674 -5.650 1.00 0.00 C ATOM 714 NE ARG A 47 -2.083 10.114 -5.546 1.00 0.00 N ATOM 715 CZ ARG A 47 -2.830 10.286 -6.632 1.00 0.00 C ATOM 716 NH1 ARG A 47 -2.333 10.888 -7.678 1.00 0.00 N ATOM 717 NH2 ARG A 47 -4.061 9.851 -6.653 1.00 0.00 N ATOM 0 H ARG A 47 3.153 9.829 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 47 1.977 12.353 -3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.440 11.708 -3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.444 11.791 -4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.911 9.167 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.640 9.386 -3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.168 10.284 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.659 8.645 -6.007 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.486 10.292 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.371 11.227 -7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.907 11.020 -8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.449 9.379 -5.836 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.634 9.983 -7.486 1.00 0.00 H new ATOM 731 N ALA A 48 0.839 11.455 -0.965 1.00 0.00 N ATOM 732 CA ALA A 48 0.586 10.976 0.392 1.00 0.00 C ATOM 733 C ALA A 48 -0.447 9.853 0.375 1.00 0.00 C ATOM 734 O ALA A 48 -1.540 10.002 -0.173 1.00 0.00 O ATOM 735 CB ALA A 48 0.073 12.114 1.275 1.00 0.00 C ATOM 0 H ALA A 48 0.492 12.395 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 48 1.525 10.600 0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.110 11.739 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.818 12.909 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.855 12.507 0.860 1.00 0.00 H new ATOM 741 N VAL A 49 -0.086 8.726 0.982 1.00 0.00 N ATOM 742 CA VAL A 49 -0.986 7.576 1.033 1.00 0.00 C ATOM 743 C VAL A 49 -1.261 7.179 2.490 1.00 0.00 C ATOM 744 O VAL A 49 -0.484 6.434 3.085 1.00 0.00 O ATOM 745 CB VAL A 49 -0.369 6.381 0.301 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.400 5.254 0.202 1.00 0.00 C ATOM 747 CG2 VAL A 49 0.053 6.806 -1.107 1.00 0.00 C ATOM 0 H VAL A 49 0.814 8.584 1.441 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.921 7.857 0.547 1.00 0.00 H new ATOM 0 HB VAL A 49 0.503 6.030 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.960 4.404 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.703 4.949 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.272 5.606 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.492 5.955 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.819 7.158 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.787 7.609 -1.040 1.00 0.00 H new ATOM 757 N PRO A 50 -2.364 7.664 3.089 1.00 0.00 N ATOM 758 CA PRO A 50 -2.698 7.329 4.485 1.00 0.00 C ATOM 759 C PRO A 50 -3.355 5.958 4.619 1.00 0.00 C ATOM 760 O PRO A 50 -3.559 5.251 3.631 1.00 0.00 O ATOM 761 CB PRO A 50 -3.671 8.437 4.864 1.00 0.00 C ATOM 762 CG PRO A 50 -4.282 8.959 3.570 1.00 0.00 C ATOM 763 CD PRO A 50 -3.341 8.564 2.429 1.00 0.00 C ATOM 0 HA PRO A 50 -1.816 7.270 5.123 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.446 8.058 5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.156 9.236 5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.274 8.534 3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.402 10.042 3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.875 8.058 1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.853 9.434 1.990 1.00 0.00 H new ATOM 771 N LEU A 51 -3.681 5.589 5.855 1.00 0.00 N ATOM 772 CA LEU A 51 -4.314 4.297 6.115 1.00 0.00 C ATOM 773 C LEU A 51 -5.655 4.203 5.394 1.00 0.00 C ATOM 774 O LEU A 51 -6.402 5.179 5.309 1.00 0.00 O ATOM 775 CB LEU A 51 -4.540 4.106 7.616 1.00 0.00 C ATOM 776 CG LEU A 51 -3.193 3.908 8.315 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.648 5.265 8.765 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.382 3.005 9.536 1.00 0.00 C ATOM 0 H LEU A 51 -3.520 6.159 6.685 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.649 3.517 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.052 4.974 8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.183 3.243 7.791 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.489 3.444 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.689 5.125 9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.515 5.910 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.351 5.728 9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.424 2.863 10.035 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.086 3.470 10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.772 2.038 9.217 1.00 0.00 H new ATOM 790 N GLY A 52 -5.952 3.014 4.877 1.00 0.00 N ATOM 791 CA GLY A 52 -7.207 2.796 4.163 1.00 0.00 C ATOM 792 C GLY A 52 -7.184 3.485 2.804 1.00 0.00 C ATOM 793 O GLY A 52 -8.046 4.308 2.493 1.00 0.00 O ATOM 0 H GLY A 52 -5.348 2.194 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.374 1.727 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.039 3.178 4.755 1.00 0.00 H new ATOM 797 N THR A 53 -6.185 3.142 1.996 1.00 0.00 N ATOM 798 CA THR A 53 -6.054 3.733 0.668 1.00 0.00 C ATOM 799 C THR A 53 -5.749 2.653 -0.366 1.00 0.00 C ATOM 800 O THR A 53 -4.721 1.979 -0.296 1.00 0.00 O ATOM 801 CB THR A 53 -4.931 4.771 0.650 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.113 5.681 1.725 1.00 0.00 O ATOM 803 CG2 THR A 53 -4.956 5.533 -0.676 1.00 0.00 C ATOM 0 H THR A 53 -5.461 2.464 2.234 1.00 0.00 H new ATOM 0 HA THR A 53 -6.998 4.218 0.421 1.00 0.00 H new ATOM 0 HB THR A 53 -3.970 4.268 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.352 5.618 2.339 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.155 6.272 -0.686 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.815 4.834 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.916 6.037 -0.788 1.00 0.00 H new ATOM 811 N THR A 54 -6.656 2.497 -1.326 1.00 0.00 N ATOM 812 CA THR A 54 -6.476 1.494 -2.373 1.00 0.00 C ATOM 813 C THR A 54 -5.224 1.794 -3.189 1.00 0.00 C ATOM 814 O THR A 54 -5.231 2.655 -4.070 1.00 0.00 O ATOM 815 CB THR A 54 -7.688 1.473 -3.309 1.00 0.00 C ATOM 816 OG1 THR A 54 -8.876 1.359 -2.538 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.580 0.281 -4.262 1.00 0.00 C ATOM 0 H THR A 54 -7.513 3.044 -1.402 1.00 0.00 H new ATOM 0 HA THR A 54 -6.372 0.521 -1.892 1.00 0.00 H new ATOM 0 HB THR A 54 -7.716 2.396 -3.888 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.653 1.347 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.443 0.268 -4.927 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.668 0.369 -4.853 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.552 -0.644 -3.686 1.00 0.00 H new ATOM 825 N LEU A 55 -4.148 1.074 -2.885 1.00 0.00 N ATOM 826 CA LEU A 55 -2.885 1.267 -3.596 1.00 0.00 C ATOM 827 C LEU A 55 -3.059 0.971 -5.082 1.00 0.00 C ATOM 828 O LEU A 55 -3.246 -0.178 -5.484 1.00 0.00 O ATOM 829 CB LEU A 55 -1.806 0.343 -3.027 1.00 0.00 C ATOM 830 CG LEU A 55 -0.425 0.866 -3.426 1.00 0.00 C ATOM 831 CD1 LEU A 55 0.023 1.937 -2.430 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.579 -0.290 -3.416 1.00 0.00 C ATOM 0 H LEU A 55 -4.123 0.358 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.580 2.305 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.889 0.295 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.945 -0.671 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.475 1.298 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.007 2.310 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.692 2.760 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.073 1.506 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.564 0.081 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.628 -0.721 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.261 -1.054 -4.125 1.00 0.00 H new ATOM 844 N MET A 56 -2.996 2.023 -5.893 1.00 0.00 N ATOM 845 CA MET A 56 -3.148 1.869 -7.337 1.00 0.00 C ATOM 846 C MET A 56 -1.777 1.761 -8.011 1.00 0.00 C ATOM 847 O MET A 56 -0.759 2.112 -7.414 1.00 0.00 O ATOM 848 CB MET A 56 -3.901 3.063 -7.927 1.00 0.00 C ATOM 849 CG MET A 56 -5.407 2.805 -7.855 1.00 0.00 C ATOM 850 SD MET A 56 -6.296 4.375 -8.002 1.00 0.00 S ATOM 851 CE MET A 56 -7.968 3.708 -7.817 1.00 0.00 C ATOM 0 H MET A 56 -2.842 2.982 -5.580 1.00 0.00 H new ATOM 0 HA MET A 56 -3.716 0.957 -7.520 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.651 3.971 -7.379 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.598 3.222 -8.962 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.709 2.128 -8.654 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.659 2.319 -6.912 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.692 4.520 -7.877 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.163 2.988 -8.612 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.057 3.213 -6.850 1.00 0.00 H new ATOM 861 N PRO A 57 -1.726 1.275 -9.264 1.00 0.00 N ATOM 862 CA PRO A 57 -0.453 1.135 -9.993 1.00 0.00 C ATOM 863 C PRO A 57 0.008 2.445 -10.631 1.00 0.00 C ATOM 864 O PRO A 57 1.202 2.664 -10.841 1.00 0.00 O ATOM 865 CB PRO A 57 -0.800 0.105 -11.060 1.00 0.00 C ATOM 866 CG PRO A 57 -2.310 0.166 -11.268 1.00 0.00 C ATOM 867 CD PRO A 57 -2.916 0.837 -10.031 1.00 0.00 C ATOM 0 HA PRO A 57 0.372 0.847 -9.342 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.274 0.321 -11.990 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.494 -0.893 -10.746 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.551 0.731 -12.168 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.720 -0.835 -11.401 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.553 1.679 -10.301 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.531 0.143 -9.458 1.00 0.00 H new ATOM 875 N ASP A 58 -0.954 3.312 -10.938 1.00 0.00 N ATOM 876 CA ASP A 58 -0.638 4.598 -11.552 1.00 0.00 C ATOM 877 C ASP A 58 0.016 5.528 -10.534 1.00 0.00 C ATOM 878 O ASP A 58 0.869 6.346 -10.878 1.00 0.00 O ATOM 879 CB ASP A 58 -1.906 5.262 -12.090 1.00 0.00 C ATOM 880 CG ASP A 58 -2.946 5.350 -10.977 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.818 6.233 -10.143 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.854 4.536 -10.975 1.00 0.00 O ATOM 0 H ASP A 58 -1.948 3.150 -10.774 1.00 0.00 H new ATOM 0 HA ASP A 58 0.053 4.416 -12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.676 6.259 -12.467 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.302 4.688 -12.928 1.00 0.00 H new ATOM 887 N MET A 59 -0.396 5.394 -9.277 1.00 0.00 N ATOM 888 CA MET A 59 0.154 6.228 -8.212 1.00 0.00 C ATOM 889 C MET A 59 1.585 5.807 -7.891 1.00 0.00 C ATOM 890 O MET A 59 2.441 6.641 -7.594 1.00 0.00 O ATOM 891 CB MET A 59 -0.696 6.108 -6.946 1.00 0.00 C ATOM 892 CG MET A 59 -2.092 6.674 -7.213 1.00 0.00 C ATOM 893 SD MET A 59 -2.862 7.145 -5.643 1.00 0.00 S ATOM 894 CE MET A 59 -3.957 5.714 -5.490 1.00 0.00 C ATOM 0 H MET A 59 -1.101 4.723 -8.972 1.00 0.00 H new ATOM 0 HA MET A 59 0.148 7.262 -8.557 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.768 5.064 -6.641 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.224 6.648 -6.126 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.025 7.540 -7.872 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.706 5.932 -7.723 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.577 5.824 -4.600 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.595 5.648 -6.371 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.360 4.806 -5.406 1.00 0.00 H new ATOM 904 N VAL A 60 1.835 4.503 -7.954 1.00 0.00 N ATOM 905 CA VAL A 60 3.167 3.975 -7.669 1.00 0.00 C ATOM 906 C VAL A 60 4.076 4.148 -8.882 1.00 0.00 C ATOM 907 O VAL A 60 3.899 3.491 -9.909 1.00 0.00 O ATOM 908 CB VAL A 60 3.089 2.490 -7.305 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.463 1.996 -6.846 1.00 0.00 C ATOM 910 CG2 VAL A 60 2.076 2.297 -6.173 1.00 0.00 C ATOM 0 H VAL A 60 1.140 3.797 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 60 3.578 4.530 -6.826 1.00 0.00 H new ATOM 0 HB VAL A 60 2.775 1.921 -8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.402 0.939 -6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.186 2.132 -7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.781 2.565 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.019 1.240 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.392 2.869 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.095 2.644 -6.499 1.00 0.00 H new ATOM 920 N LYS A 61 5.055 5.040 -8.751 1.00 0.00 N ATOM 921 CA LYS A 61 5.992 5.295 -9.840 1.00 0.00 C ATOM 922 C LYS A 61 6.945 4.116 -10.010 1.00 0.00 C ATOM 923 O LYS A 61 7.650 3.729 -9.076 1.00 0.00 O ATOM 924 CB LYS A 61 6.808 6.559 -9.561 1.00 0.00 C ATOM 925 CG LYS A 61 5.861 7.745 -9.364 1.00 0.00 C ATOM 926 CD LYS A 61 6.540 9.027 -9.851 1.00 0.00 C ATOM 927 CE LYS A 61 7.542 9.506 -8.798 1.00 0.00 C ATOM 928 NZ LYS A 61 8.895 8.975 -9.122 1.00 0.00 N ATOM 0 H LYS A 61 5.219 5.593 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 61 5.415 5.431 -10.755 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.422 6.419 -8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.488 6.756 -10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.935 7.580 -9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.594 7.840 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.050 8.844 -10.797 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.793 9.799 -10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.564 10.595 -8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.235 9.169 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.248 8.412 -8.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.839 8.375 -9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.545 9.767 -9.302 1.00 0.00 H new ATOM 942 N GLY A 62 6.959 3.549 -11.212 1.00 0.00 N ATOM 943 CA GLY A 62 7.828 2.411 -11.497 1.00 0.00 C ATOM 944 C GLY A 62 7.008 1.135 -11.663 1.00 0.00 C ATOM 945 O GLY A 62 7.373 0.240 -12.426 1.00 0.00 O ATOM 0 H GLY A 62 6.385 3.854 -11.998 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.400 2.602 -12.405 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.547 2.284 -10.688 1.00 0.00 H new ATOM 949 N TYR A 63 5.894 1.065 -10.940 1.00 0.00 N ATOM 950 CA TYR A 63 5.023 -0.105 -11.012 1.00 0.00 C ATOM 951 C TYR A 63 4.159 -0.046 -12.268 1.00 0.00 C ATOM 952 O TYR A 63 3.921 1.024 -12.827 1.00 0.00 O ATOM 953 CB TYR A 63 4.116 -0.170 -9.780 1.00 0.00 C ATOM 954 CG TYR A 63 3.372 -1.484 -9.767 1.00 0.00 C ATOM 955 CD1 TYR A 63 4.028 -2.668 -9.335 1.00 0.00 C ATOM 956 CD2 TYR A 63 2.016 -1.536 -10.186 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.326 -3.904 -9.323 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.314 -2.771 -10.174 1.00 0.00 C ATOM 959 CZ TYR A 63 1.970 -3.956 -9.741 1.00 0.00 C ATOM 960 OH TYR A 63 1.288 -5.155 -9.729 1.00 0.00 O ATOM 0 H TYR A 63 5.575 1.796 -10.304 1.00 0.00 H new ATOM 0 HA TYR A 63 5.651 -0.995 -11.046 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.711 -0.068 -8.872 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.409 0.660 -9.792 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.059 -2.629 -9.016 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.518 -0.636 -10.514 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.825 -4.804 -8.996 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.283 -2.810 -10.493 1.00 0.00 H new ATOM 0 HH TYR A 63 1.929 -5.895 -9.692 1.00 0.00 H new