USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 49 GLN : amide:sc= -0.0756 K(o=-0.076,f=-0.81) USER MOD Single : A 51 MET CE :methyl 162:sc= -0.225 (180deg=-0.915) USER MOD Single : A 53 ASN :FLIP amide:sc=-0.00215 F(o=-0.55,f=-0.0022) USER MOD Single : A 60 ASN : amide:sc= -3.11 K(o=-3.1,f=-4!) USER MOD Single : A 62 THR OG1 : rot 130:sc= -1.09 USER MOD Single : A 70 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 71 MET CE :methyl -160:sc= 0 (180deg=-0.0933) USER MOD Single : A 72 MET CE :methyl 179:sc= -1.39 (180deg=-1.43) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.01 F(o=-3.5!,f=-1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 112:sc= 0.75 USER MOD Single : A 107 HIS : no HE2:sc= -1.19! C(o=-1.2!,f=-4.7!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0834 K(o=-0.083,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 14.496 0.181 -2.761 1.00 0.00 N ATOM 29 CA LEU A 48 13.118 0.173 -2.299 1.00 0.00 C ATOM 30 C LEU A 48 12.900 1.231 -1.227 1.00 0.00 C ATOM 31 O LEU A 48 11.792 1.735 -1.074 1.00 0.00 O ATOM 32 CB LEU A 48 12.690 -1.212 -1.804 1.00 0.00 C ATOM 33 CG LEU A 48 11.998 -2.062 -2.864 1.00 0.00 C ATOM 34 CD1 LEU A 48 11.681 -3.441 -2.314 1.00 0.00 C ATOM 35 CD2 LEU A 48 10.732 -1.361 -3.334 1.00 0.00 C ATOM 0 HA LEU A 48 12.486 0.418 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.569 -1.745 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.018 -1.091 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 48 12.666 -2.187 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.187 -4.035 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.605 -3.934 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.022 -3.346 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.239 -1.970 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.059 -1.219 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.990 -0.391 -3.759 1.00 0.00 H new ATOM 47 N GLN A 49 13.965 1.599 -0.520 1.00 0.00 N ATOM 48 CA GLN A 49 13.880 2.643 0.500 1.00 0.00 C ATOM 49 C GLN A 49 13.545 3.985 -0.151 1.00 0.00 C ATOM 50 O GLN A 49 12.832 4.814 0.418 1.00 0.00 O ATOM 51 CB GLN A 49 15.199 2.740 1.271 1.00 0.00 C ATOM 52 CG GLN A 49 15.181 3.751 2.410 1.00 0.00 C ATOM 53 CD GLN A 49 14.160 3.417 3.484 1.00 0.00 C ATOM 54 OE1 GLN A 49 13.840 2.249 3.717 1.00 0.00 O ATOM 55 NE2 GLN A 49 13.657 4.441 4.158 1.00 0.00 N ATOM 0 H GLN A 49 14.894 1.193 -0.633 1.00 0.00 H new ATOM 0 HA GLN A 49 13.087 2.386 1.202 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.444 1.758 1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.995 3.006 0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.172 3.799 2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.966 4.741 2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.949 5.392 3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.978 4.278 4.902 1.00 0.00 H new ATOM 64 N ASP A 50 14.058 4.173 -1.360 1.00 0.00 N ATOM 65 CA ASP A 50 13.780 5.364 -2.157 1.00 0.00 C ATOM 66 C ASP A 50 12.297 5.434 -2.513 1.00 0.00 C ATOM 67 O ASP A 50 11.640 6.467 -2.331 1.00 0.00 O ATOM 68 CB ASP A 50 14.636 5.339 -3.426 1.00 0.00 C ATOM 69 CG ASP A 50 14.269 6.423 -4.413 1.00 0.00 C ATOM 70 OD1 ASP A 50 14.683 7.583 -4.204 1.00 0.00 O ATOM 71 OD2 ASP A 50 13.551 6.128 -5.392 1.00 0.00 O ATOM 0 H ASP A 50 14.679 3.505 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 50 14.030 6.251 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.685 5.447 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.531 4.367 -3.908 1.00 0.00 H new ATOM 76 N MET A 51 11.763 4.316 -2.989 1.00 0.00 N ATOM 77 CA MET A 51 10.348 4.229 -3.323 1.00 0.00 C ATOM 78 C MET A 51 9.505 4.410 -2.060 1.00 0.00 C ATOM 79 O MET A 51 8.403 4.956 -2.107 1.00 0.00 O ATOM 80 CB MET A 51 10.039 2.884 -3.988 1.00 0.00 C ATOM 81 CG MET A 51 8.640 2.789 -4.584 1.00 0.00 C ATOM 82 SD MET A 51 8.375 3.936 -5.952 1.00 0.00 S ATOM 83 CE MET A 51 9.677 3.428 -7.073 1.00 0.00 C ATOM 0 H MET A 51 12.289 3.457 -3.152 1.00 0.00 H new ATOM 0 HA MET A 51 10.100 5.023 -4.028 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.770 2.704 -4.776 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.163 2.090 -3.251 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.468 1.771 -4.933 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.905 2.987 -3.804 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.462 3.802 -8.074 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.630 3.833 -6.731 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.733 2.340 -7.097 1.00 0.00 H new ATOM 93 N ILE A 52 10.047 3.971 -0.923 1.00 0.00 N ATOM 94 CA ILE A 52 9.385 4.165 0.364 1.00 0.00 C ATOM 95 C ILE A 52 9.326 5.655 0.687 1.00 0.00 C ATOM 96 O ILE A 52 8.324 6.155 1.190 1.00 0.00 O ATOM 97 CB ILE A 52 10.114 3.421 1.516 1.00 0.00 C ATOM 98 CG1 ILE A 52 10.002 1.905 1.338 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.550 3.836 2.870 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.758 1.108 2.381 1.00 0.00 C ATOM 0 H ILE A 52 10.940 3.481 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 52 8.380 3.751 0.282 1.00 0.00 H new ATOM 0 HB ILE A 52 11.168 3.697 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.950 1.622 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.374 1.636 0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.075 3.302 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.682 4.909 3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.488 3.593 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.631 0.043 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.817 1.361 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.371 1.346 3.372 1.00 0.00 H new ATOM 112 N ASN A 53 10.402 6.357 0.351 1.00 0.00 N ATOM 113 CA ASN A 53 10.508 7.790 0.612 1.00 0.00 C ATOM 114 C ASN A 53 9.434 8.565 -0.137 1.00 0.00 C ATOM 115 O ASN A 53 8.952 9.588 0.345 1.00 0.00 O ATOM 116 CB ASN A 53 11.888 8.322 0.225 1.00 0.00 C ATOM 117 CG ASN A 53 12.881 8.289 1.371 1.00 0.00 C ATOM 118 OD1 ASN A 53 12.741 7.324 2.268 1.00 0.00 O flip ATOM 119 ND2 ASN A 53 13.771 9.130 1.448 1.00 0.00 N flip ATOM 0 H ASN A 53 11.220 5.954 -0.106 1.00 0.00 H new ATOM 0 HA ASN A 53 10.364 7.934 1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.279 7.732 -0.604 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.789 9.347 -0.132 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.847 9.858 0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.435 9.101 2.222 1.00 0.00 H new ATOM 126 N GLU A 54 9.055 8.076 -1.313 1.00 0.00 N ATOM 127 CA GLU A 54 7.985 8.706 -2.082 1.00 0.00 C ATOM 128 C GLU A 54 6.620 8.484 -1.432 1.00 0.00 C ATOM 129 O GLU A 54 5.774 9.377 -1.435 1.00 0.00 O ATOM 130 CB GLU A 54 7.963 8.171 -3.514 1.00 0.00 C ATOM 131 CG GLU A 54 9.011 8.797 -4.416 1.00 0.00 C ATOM 132 CD GLU A 54 8.813 10.290 -4.573 1.00 0.00 C ATOM 133 OE1 GLU A 54 7.717 10.709 -4.993 1.00 0.00 O ATOM 134 OE2 GLU A 54 9.759 11.053 -4.285 1.00 0.00 O ATOM 0 H GLU A 54 9.468 7.253 -1.752 1.00 0.00 H new ATOM 0 HA GLU A 54 8.187 9.777 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.114 7.092 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.976 8.346 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.002 8.605 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.974 8.322 -5.397 1.00 0.00 H new ATOM 141 N VAL A 55 6.418 7.303 -0.861 1.00 0.00 N ATOM 142 CA VAL A 55 5.117 6.940 -0.304 1.00 0.00 C ATOM 143 C VAL A 55 4.967 7.446 1.133 1.00 0.00 C ATOM 144 O VAL A 55 3.853 7.676 1.607 1.00 0.00 O ATOM 145 CB VAL A 55 4.894 5.410 -0.339 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.475 5.059 0.083 1.00 0.00 C ATOM 147 CG2 VAL A 55 5.189 4.858 -1.726 1.00 0.00 C ATOM 0 H VAL A 55 7.134 6.582 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 55 4.361 7.418 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 55 5.583 4.951 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.343 3.978 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.298 5.416 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.766 5.532 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.027 3.780 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.527 5.328 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.225 5.070 -1.989 1.00 0.00 H new ATOM 157 N ASP A 56 6.094 7.597 1.824 1.00 0.00 N ATOM 158 CA ASP A 56 6.112 8.116 3.195 1.00 0.00 C ATOM 159 C ASP A 56 5.658 9.577 3.240 1.00 0.00 C ATOM 160 O ASP A 56 6.462 10.500 3.379 1.00 0.00 O ATOM 161 CB ASP A 56 7.508 7.979 3.801 1.00 0.00 C ATOM 162 CG ASP A 56 7.521 8.331 5.270 1.00 0.00 C ATOM 163 OD1 ASP A 56 6.734 7.732 6.024 1.00 0.00 O ATOM 164 OD2 ASP A 56 8.306 9.212 5.672 1.00 0.00 O ATOM 0 H ASP A 56 7.016 7.366 1.455 1.00 0.00 H new ATOM 0 HA ASP A 56 5.412 7.524 3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.862 6.957 3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.201 8.628 3.266 1.00 0.00 H new ATOM 169 N ALA A 57 4.360 9.764 3.090 1.00 0.00 N ATOM 170 CA ALA A 57 3.755 11.086 3.052 1.00 0.00 C ATOM 171 C ALA A 57 3.716 11.760 4.423 1.00 0.00 C ATOM 172 O ALA A 57 4.016 12.949 4.541 1.00 0.00 O ATOM 173 CB ALA A 57 2.350 10.983 2.476 1.00 0.00 C ATOM 0 H ALA A 57 3.691 9.001 2.990 1.00 0.00 H new ATOM 0 HA ALA A 57 4.378 11.713 2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.895 11.973 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.400 10.577 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.747 10.325 3.102 1.00 0.00 H new ATOM 179 N ASP A 58 3.373 11.004 5.458 1.00 0.00 N ATOM 180 CA ASP A 58 3.091 11.601 6.764 1.00 0.00 C ATOM 181 C ASP A 58 4.078 11.144 7.827 1.00 0.00 C ATOM 182 O ASP A 58 3.929 11.480 9.001 1.00 0.00 O ATOM 183 CB ASP A 58 1.670 11.253 7.221 1.00 0.00 C ATOM 184 CG ASP A 58 1.542 9.818 7.696 1.00 0.00 C ATOM 185 OD1 ASP A 58 1.842 8.896 6.905 1.00 0.00 O ATOM 186 OD2 ASP A 58 1.128 9.602 8.851 1.00 0.00 O ATOM 0 H ASP A 58 3.283 9.989 5.424 1.00 0.00 H new ATOM 0 HA ASP A 58 3.190 12.680 6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.377 11.926 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.976 11.422 6.397 1.00 0.00 H new ATOM 191 N GLY A 59 5.094 10.401 7.424 1.00 0.00 N ATOM 192 CA GLY A 59 6.026 9.865 8.392 1.00 0.00 C ATOM 193 C GLY A 59 5.511 8.607 9.059 1.00 0.00 C ATOM 194 O GLY A 59 5.179 8.605 10.243 1.00 0.00 O ATOM 0 H GLY A 59 5.290 10.160 6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.973 9.649 7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.228 10.619 9.153 1.00 0.00 H new ATOM 198 N ASN A 60 5.455 7.542 8.283 1.00 0.00 N ATOM 199 CA ASN A 60 5.031 6.251 8.821 1.00 0.00 C ATOM 200 C ASN A 60 5.864 5.098 8.258 1.00 0.00 C ATOM 201 O ASN A 60 5.914 4.018 8.843 1.00 0.00 O ATOM 202 CB ASN A 60 3.525 5.997 8.647 1.00 0.00 C ATOM 203 CG ASN A 60 3.029 6.021 7.215 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.460 6.823 6.386 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.086 5.146 6.917 1.00 0.00 N ATOM 0 H ASN A 60 5.693 7.537 7.291 1.00 0.00 H new ATOM 0 HA ASN A 60 5.214 6.296 9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.283 5.027 9.082 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.978 6.748 9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.692 5.121 5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.751 4.495 7.627 1.00 0.00 H new ATOM 212 N GLY A 61 6.518 5.331 7.122 1.00 0.00 N ATOM 213 CA GLY A 61 7.385 4.323 6.535 1.00 0.00 C ATOM 214 C GLY A 61 6.602 3.376 5.646 1.00 0.00 C ATOM 215 O GLY A 61 7.127 2.381 5.142 1.00 0.00 O ATOM 0 H GLY A 61 6.462 6.203 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.169 4.808 5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.879 3.759 7.326 1.00 0.00 H new ATOM 219 N THR A 62 5.337 3.707 5.456 1.00 0.00 N ATOM 220 CA THR A 62 4.410 2.889 4.698 1.00 0.00 C ATOM 221 C THR A 62 3.251 3.766 4.228 1.00 0.00 C ATOM 222 O THR A 62 3.259 4.973 4.447 1.00 0.00 O ATOM 223 CB THR A 62 3.886 1.708 5.563 1.00 0.00 C ATOM 224 OG1 THR A 62 2.998 0.876 4.809 1.00 0.00 O ATOM 225 CG2 THR A 62 3.175 2.212 6.810 1.00 0.00 C ATOM 0 H THR A 62 4.921 4.561 5.828 1.00 0.00 H new ATOM 0 HA THR A 62 4.921 2.465 3.834 1.00 0.00 H new ATOM 0 HB THR A 62 4.752 1.120 5.867 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.271 -0.061 4.900 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.820 1.363 7.394 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.868 2.802 7.410 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.327 2.833 6.520 1.00 0.00 H new ATOM 233 N ILE A 63 2.290 3.182 3.547 1.00 0.00 N ATOM 234 CA ILE A 63 1.050 3.871 3.243 1.00 0.00 C ATOM 235 C ILE A 63 0.027 3.546 4.327 1.00 0.00 C ATOM 236 O ILE A 63 0.059 2.459 4.906 1.00 0.00 O ATOM 237 CB ILE A 63 0.512 3.492 1.839 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.016 4.740 1.111 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.599 2.452 1.923 1.00 0.00 C ATOM 240 CD1 ILE A 63 -0.302 4.498 -0.348 1.00 0.00 C ATOM 0 H ILE A 63 2.342 2.228 3.191 1.00 0.00 H new ATOM 0 HA ILE A 63 1.238 4.945 3.226 1.00 0.00 H new ATOM 0 HB ILE A 63 1.334 3.051 1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.877 5.113 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.773 5.520 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.950 2.212 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.217 1.549 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.426 2.850 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.649 5.426 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.594 4.153 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.081 3.740 -0.430 1.00 0.00 H new ATOM 252 N ASP A 64 -0.855 4.491 4.620 1.00 0.00 N ATOM 253 CA ASP A 64 -1.863 4.306 5.659 1.00 0.00 C ATOM 254 C ASP A 64 -3.178 4.006 4.971 1.00 0.00 C ATOM 255 O ASP A 64 -3.270 4.183 3.762 1.00 0.00 O ATOM 256 CB ASP A 64 -2.046 5.568 6.516 1.00 0.00 C ATOM 257 CG ASP A 64 -0.775 6.039 7.188 1.00 0.00 C ATOM 258 OD1 ASP A 64 -0.025 6.826 6.566 1.00 0.00 O ATOM 259 OD2 ASP A 64 -0.521 5.635 8.337 1.00 0.00 O ATOM 0 H ASP A 64 -0.894 5.397 4.152 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.543 3.497 6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.432 6.370 5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.798 5.371 7.280 1.00 0.00 H new ATOM 264 N PHE A 65 -4.188 3.556 5.700 1.00 0.00 N ATOM 265 CA PHE A 65 -5.513 3.394 5.101 1.00 0.00 C ATOM 266 C PHE A 65 -6.004 4.692 4.444 1.00 0.00 C ATOM 267 O PHE A 65 -6.306 4.693 3.249 1.00 0.00 O ATOM 268 CB PHE A 65 -6.524 2.872 6.125 1.00 0.00 C ATOM 269 CG PHE A 65 -6.442 1.387 6.320 1.00 0.00 C ATOM 270 CD1 PHE A 65 -7.183 0.537 5.517 1.00 0.00 C ATOM 271 CD2 PHE A 65 -5.619 0.841 7.290 1.00 0.00 C ATOM 272 CE1 PHE A 65 -7.108 -0.832 5.676 1.00 0.00 C ATOM 273 CE2 PHE A 65 -5.541 -0.530 7.457 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.286 -1.367 6.648 1.00 0.00 C ATOM 0 H PHE A 65 -4.124 3.300 6.685 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.422 2.648 4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.356 3.369 7.080 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.531 3.136 5.801 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.828 0.951 4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.033 1.491 7.922 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.691 -1.483 5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.898 -0.946 8.219 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.225 -2.438 6.776 1.00 0.00 H new ATOM 284 N PRO A 66 -6.066 5.827 5.181 1.00 0.00 N ATOM 285 CA PRO A 66 -6.478 7.107 4.595 1.00 0.00 C ATOM 286 C PRO A 66 -5.527 7.552 3.487 1.00 0.00 C ATOM 287 O PRO A 66 -5.950 8.122 2.481 1.00 0.00 O ATOM 288 CB PRO A 66 -6.428 8.088 5.772 1.00 0.00 C ATOM 289 CG PRO A 66 -5.548 7.440 6.783 1.00 0.00 C ATOM 290 CD PRO A 66 -5.758 5.963 6.618 1.00 0.00 C ATOM 0 HA PRO A 66 -7.462 7.045 4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.028 9.054 5.463 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.424 8.270 6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.504 7.707 6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.807 7.762 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.869 5.396 6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.575 5.600 7.241 1.00 0.00 H new ATOM 298 N GLU A 67 -4.240 7.275 3.682 1.00 0.00 N ATOM 299 CA GLU A 67 -3.214 7.612 2.721 1.00 0.00 C ATOM 300 C GLU A 67 -3.438 6.879 1.403 1.00 0.00 C ATOM 301 O GLU A 67 -3.522 7.502 0.349 1.00 0.00 O ATOM 302 CB GLU A 67 -1.878 7.219 3.318 1.00 0.00 C ATOM 303 CG GLU A 67 -0.735 8.098 2.905 1.00 0.00 C ATOM 304 CD GLU A 67 0.394 8.019 3.904 1.00 0.00 C ATOM 305 OE1 GLU A 67 1.056 6.980 3.990 1.00 0.00 O ATOM 306 OE2 GLU A 67 0.719 9.021 4.554 1.00 0.00 O ATOM 0 H GLU A 67 -3.887 6.808 4.517 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.242 8.681 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.960 7.236 4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.653 6.192 3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.377 7.797 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.077 9.129 2.818 1.00 0.00 H new ATOM 313 N PHE A 68 -3.539 5.555 1.481 1.00 0.00 N ATOM 314 CA PHE A 68 -3.723 4.719 0.299 1.00 0.00 C ATOM 315 C PHE A 68 -4.951 5.145 -0.486 1.00 0.00 C ATOM 316 O PHE A 68 -4.891 5.276 -1.702 1.00 0.00 O ATOM 317 CB PHE A 68 -3.842 3.241 0.685 1.00 0.00 C ATOM 318 CG PHE A 68 -4.001 2.313 -0.491 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.899 1.923 -1.236 1.00 0.00 C ATOM 320 CD2 PHE A 68 -5.251 1.836 -0.852 1.00 0.00 C ATOM 321 CE1 PHE A 68 -3.041 1.074 -2.318 1.00 0.00 C ATOM 322 CE2 PHE A 68 -5.400 0.986 -1.932 1.00 0.00 C ATOM 323 CZ PHE A 68 -4.294 0.597 -2.659 1.00 0.00 C ATOM 0 H PHE A 68 -3.496 5.035 2.358 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.843 4.848 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.955 2.950 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.696 3.117 1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.918 2.287 -0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.120 2.132 -0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.176 0.784 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.381 0.627 -2.206 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.406 -0.079 -3.494 1.00 0.00 H new ATOM 333 N LEU A 69 -6.055 5.376 0.210 1.00 0.00 N ATOM 334 CA LEU A 69 -7.289 5.762 -0.442 1.00 0.00 C ATOM 335 C LEU A 69 -7.160 7.107 -1.137 1.00 0.00 C ATOM 336 O LEU A 69 -7.652 7.283 -2.251 1.00 0.00 O ATOM 337 CB LEU A 69 -8.427 5.791 0.568 1.00 0.00 C ATOM 338 CG LEU A 69 -9.180 4.477 0.693 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.707 4.073 -0.673 1.00 0.00 C ATOM 340 CD2 LEU A 69 -8.291 3.388 1.268 1.00 0.00 C ATOM 0 H LEU A 69 -6.117 5.302 1.225 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.510 5.018 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.025 6.061 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.130 6.575 0.285 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.016 4.612 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.248 3.131 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.379 4.846 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.873 3.952 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.857 2.460 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.433 3.236 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.945 3.686 2.258 1.00 0.00 H new ATOM 352 N THR A 70 -6.483 8.042 -0.496 1.00 0.00 N ATOM 353 CA THR A 70 -6.350 9.372 -1.050 1.00 0.00 C ATOM 354 C THR A 70 -5.320 9.390 -2.185 1.00 0.00 C ATOM 355 O THR A 70 -5.536 10.011 -3.218 1.00 0.00 O ATOM 356 CB THR A 70 -5.963 10.388 0.041 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.857 10.255 1.157 1.00 0.00 O ATOM 358 CG2 THR A 70 -6.023 11.814 -0.495 1.00 0.00 C ATOM 0 H THR A 70 -6.020 7.904 0.403 1.00 0.00 H new ATOM 0 HA THR A 70 -7.318 9.661 -1.459 1.00 0.00 H new ATOM 0 HB THR A 70 -4.940 10.183 0.358 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.431 9.715 1.855 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.745 12.512 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.331 11.918 -1.331 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.036 12.033 -0.833 1.00 0.00 H new ATOM 366 N MET A 71 -4.195 8.718 -1.974 1.00 0.00 N ATOM 367 CA MET A 71 -3.166 8.563 -3.004 1.00 0.00 C ATOM 368 C MET A 71 -3.672 7.751 -4.190 1.00 0.00 C ATOM 369 O MET A 71 -3.299 8.016 -5.331 1.00 0.00 O ATOM 370 CB MET A 71 -1.912 7.906 -2.418 1.00 0.00 C ATOM 371 CG MET A 71 -0.890 8.895 -1.870 1.00 0.00 C ATOM 372 SD MET A 71 -1.613 10.128 -0.764 1.00 0.00 S ATOM 373 CE MET A 71 -0.148 11.023 -0.248 1.00 0.00 C ATOM 0 H MET A 71 -3.967 8.265 -1.089 1.00 0.00 H new ATOM 0 HA MET A 71 -2.914 9.561 -3.363 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.210 7.228 -1.619 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.438 7.300 -3.190 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.115 8.347 -1.335 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.404 9.404 -2.702 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.358 11.562 0.676 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.668 10.320 -0.081 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.138 11.732 -1.025 1.00 0.00 H new ATOM 383 N MET A 72 -4.494 6.747 -3.919 1.00 0.00 N ATOM 384 CA MET A 72 -5.127 5.996 -4.991 1.00 0.00 C ATOM 385 C MET A 72 -6.021 6.929 -5.796 1.00 0.00 C ATOM 386 O MET A 72 -5.764 7.171 -6.971 1.00 0.00 O ATOM 387 CB MET A 72 -5.934 4.812 -4.454 1.00 0.00 C ATOM 388 CG MET A 72 -6.389 3.855 -5.545 1.00 0.00 C ATOM 389 SD MET A 72 -7.161 2.358 -4.895 1.00 0.00 S ATOM 390 CE MET A 72 -8.529 3.053 -3.973 1.00 0.00 C ATOM 0 H MET A 72 -4.735 6.437 -2.978 1.00 0.00 H new ATOM 0 HA MET A 72 -4.347 5.588 -5.634 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.329 4.266 -3.730 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.808 5.187 -3.921 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.096 4.367 -6.198 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.531 3.578 -6.158 1.00 0.00 H new ATOM 0 HE1 MET A 72 -9.113 2.248 -3.526 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.145 3.703 -3.187 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.163 3.632 -4.644 1.00 0.00 H new ATOM 400 N ALA A 73 -7.057 7.465 -5.148 1.00 0.00 N ATOM 401 CA ALA A 73 -7.954 8.446 -5.766 1.00 0.00 C ATOM 402 C ALA A 73 -7.221 9.672 -6.301 1.00 0.00 C ATOM 403 O ALA A 73 -7.791 10.450 -7.070 1.00 0.00 O ATOM 404 CB ALA A 73 -9.005 8.890 -4.762 1.00 0.00 C ATOM 0 H ALA A 73 -7.298 7.233 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.420 7.950 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.668 9.619 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.586 8.027 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.516 9.343 -3.900 1.00 0.00 H new ATOM 410 N ARG A 74 -5.980 9.860 -5.869 1.00 0.00 N ATOM 411 CA ARG A 74 -5.172 10.982 -6.314 1.00 0.00 C ATOM 412 C ARG A 74 -5.142 11.047 -7.840 1.00 0.00 C ATOM 413 O ARG A 74 -5.401 12.089 -8.440 1.00 0.00 O ATOM 414 CB ARG A 74 -3.742 10.865 -5.786 1.00 0.00 C ATOM 415 CG ARG A 74 -2.920 12.128 -5.961 1.00 0.00 C ATOM 416 CD ARG A 74 -3.380 13.220 -5.011 1.00 0.00 C ATOM 417 NE ARG A 74 -3.136 12.864 -3.611 1.00 0.00 N ATOM 418 CZ ARG A 74 -3.283 13.712 -2.592 1.00 0.00 C ATOM 419 NH1 ARG A 74 -3.732 14.942 -2.811 1.00 0.00 N ATOM 420 NH2 ARG A 74 -3.001 13.320 -1.357 1.00 0.00 N ATOM 0 H ARG A 74 -5.511 9.243 -5.206 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.623 11.894 -5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.775 10.608 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.242 10.043 -6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.868 11.907 -5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.003 12.479 -6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.859 14.148 -5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.444 13.405 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.836 11.911 -3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.965 15.239 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.844 15.590 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.672 12.370 -1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.113 13.969 -0.578 1.00 0.00 H new ATOM 544 N GLU A 82 -14.428 -1.095 2.066 1.00 0.00 N ATOM 545 CA GLU A 82 -13.514 -1.204 3.196 1.00 0.00 C ATOM 546 C GLU A 82 -12.933 -2.600 3.343 1.00 0.00 C ATOM 547 O GLU A 82 -11.716 -2.753 3.388 1.00 0.00 O ATOM 548 CB GLU A 82 -14.208 -0.791 4.485 1.00 0.00 C ATOM 549 CG GLU A 82 -13.232 -0.496 5.611 1.00 0.00 C ATOM 550 CD GLU A 82 -13.906 -0.368 6.960 1.00 0.00 C ATOM 551 OE1 GLU A 82 -14.496 0.696 7.241 1.00 0.00 O ATOM 552 OE2 GLU A 82 -13.849 -1.336 7.749 1.00 0.00 O ATOM 0 HA GLU A 82 -12.684 -0.526 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.817 0.093 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.887 -1.585 4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.488 -1.291 5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.698 0.428 5.389 1.00 0.00 H new ATOM 559 N GLU A 83 -13.798 -3.605 3.384 1.00 0.00 N ATOM 560 CA GLU A 83 -13.360 -4.990 3.555 1.00 0.00 C ATOM 561 C GLU A 83 -12.393 -5.392 2.443 1.00 0.00 C ATOM 562 O GLU A 83 -11.428 -6.123 2.672 1.00 0.00 O ATOM 563 CB GLU A 83 -14.564 -5.937 3.576 1.00 0.00 C ATOM 564 CG GLU A 83 -15.492 -5.769 2.385 1.00 0.00 C ATOM 565 CD GLU A 83 -16.620 -6.780 2.370 1.00 0.00 C ATOM 566 OE1 GLU A 83 -17.506 -6.702 3.249 1.00 0.00 O ATOM 567 OE2 GLU A 83 -16.633 -7.653 1.481 1.00 0.00 O ATOM 0 H GLU A 83 -14.808 -3.490 3.301 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.840 -5.065 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.206 -6.966 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.130 -5.771 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.912 -4.763 2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.915 -5.862 1.465 1.00 0.00 H new ATOM 574 N GLU A 84 -12.649 -4.883 1.248 1.00 0.00 N ATOM 575 CA GLU A 84 -11.819 -5.173 0.093 1.00 0.00 C ATOM 576 C GLU A 84 -10.473 -4.478 0.189 1.00 0.00 C ATOM 577 O GLU A 84 -9.440 -5.088 -0.067 1.00 0.00 O ATOM 578 CB GLU A 84 -12.531 -4.738 -1.188 1.00 0.00 C ATOM 579 CG GLU A 84 -13.718 -5.607 -1.556 1.00 0.00 C ATOM 580 CD GLU A 84 -13.313 -7.022 -1.912 1.00 0.00 C ATOM 581 OE1 GLU A 84 -12.819 -7.237 -3.038 1.00 0.00 O ATOM 582 OE2 GLU A 84 -13.486 -7.924 -1.066 1.00 0.00 O ATOM 0 H GLU A 84 -13.434 -4.261 1.054 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.647 -6.249 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.869 -3.708 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.816 -4.749 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.418 -5.632 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.244 -5.160 -2.400 1.00 0.00 H new ATOM 589 N ILE A 85 -10.480 -3.203 0.556 1.00 0.00 N ATOM 590 CA ILE A 85 -9.245 -2.454 0.661 1.00 0.00 C ATOM 591 C ILE A 85 -8.404 -2.984 1.816 1.00 0.00 C ATOM 592 O ILE A 85 -7.182 -3.065 1.719 1.00 0.00 O ATOM 593 CB ILE A 85 -9.486 -0.944 0.851 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.452 -0.408 -0.213 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.159 -0.197 0.780 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.944 -0.559 -1.633 1.00 0.00 C ATOM 0 H ILE A 85 -11.322 -2.674 0.783 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.713 -2.588 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.936 -0.785 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.405 -0.929 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.645 0.647 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.335 0.870 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.496 -0.558 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.696 -0.369 -0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.682 -0.158 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.007 -0.014 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.778 -1.614 -1.850 1.00 0.00 H new ATOM 608 N ARG A 86 -9.069 -3.369 2.903 1.00 0.00 N ATOM 609 CA ARG A 86 -8.383 -3.952 4.049 1.00 0.00 C ATOM 610 C ARG A 86 -7.692 -5.245 3.639 1.00 0.00 C ATOM 611 O ARG A 86 -6.529 -5.487 3.986 1.00 0.00 O ATOM 612 CB ARG A 86 -9.369 -4.216 5.194 1.00 0.00 C ATOM 613 CG ARG A 86 -10.029 -2.952 5.726 1.00 0.00 C ATOM 614 CD ARG A 86 -10.941 -3.226 6.912 1.00 0.00 C ATOM 615 NE ARG A 86 -10.187 -3.386 8.153 1.00 0.00 N ATOM 616 CZ ARG A 86 -10.511 -2.799 9.304 1.00 0.00 C ATOM 617 NH1 ARG A 86 -11.622 -2.067 9.402 1.00 0.00 N ATOM 618 NH2 ARG A 86 -9.728 -2.958 10.364 1.00 0.00 N ATOM 0 H ARG A 86 -10.080 -3.287 3.012 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.632 -3.245 4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.142 -4.902 4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.843 -4.713 6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.258 -2.240 6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.606 -2.484 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.651 -2.406 7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.523 -4.128 6.722 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.361 -3.984 8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.231 -1.953 8.592 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.862 -1.621 10.287 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.884 -3.527 10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.970 -2.511 11.248 1.00 0.00 H new ATOM 632 N GLU A 87 -8.389 -6.056 2.850 1.00 0.00 N ATOM 633 CA GLU A 87 -7.811 -7.295 2.385 1.00 0.00 C ATOM 634 C GLU A 87 -6.765 -7.004 1.320 1.00 0.00 C ATOM 635 O GLU A 87 -5.809 -7.755 1.158 1.00 0.00 O ATOM 636 CB GLU A 87 -8.880 -8.246 1.852 1.00 0.00 C ATOM 637 CG GLU A 87 -8.322 -9.614 1.512 1.00 0.00 C ATOM 638 CD GLU A 87 -9.323 -10.725 1.730 1.00 0.00 C ATOM 639 OE1 GLU A 87 -9.683 -10.973 2.901 1.00 0.00 O ATOM 640 OE2 GLU A 87 -9.722 -11.379 0.745 1.00 0.00 O ATOM 0 H GLU A 87 -9.340 -5.875 2.527 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.332 -7.790 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.669 -8.354 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.337 -7.812 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.999 -9.621 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.438 -9.803 2.121 1.00 0.00 H new ATOM 647 N ALA A 88 -6.925 -5.882 0.627 1.00 0.00 N ATOM 648 CA ALA A 88 -5.952 -5.456 -0.359 1.00 0.00 C ATOM 649 C ALA A 88 -4.650 -5.097 0.335 1.00 0.00 C ATOM 650 O ALA A 88 -3.583 -5.487 -0.108 1.00 0.00 O ATOM 651 CB ALA A 88 -6.472 -4.274 -1.163 1.00 0.00 C ATOM 0 H ALA A 88 -7.722 -5.254 0.734 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.774 -6.277 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.723 -3.974 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.389 -4.560 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.677 -3.440 -0.492 1.00 0.00 H new ATOM 657 N PHE A 89 -4.752 -4.370 1.441 1.00 0.00 N ATOM 658 CA PHE A 89 -3.591 -4.064 2.268 1.00 0.00 C ATOM 659 C PHE A 89 -2.844 -5.340 2.634 1.00 0.00 C ATOM 660 O PHE A 89 -1.618 -5.381 2.609 1.00 0.00 O ATOM 661 CB PHE A 89 -4.010 -3.332 3.548 1.00 0.00 C ATOM 662 CG PHE A 89 -4.050 -1.837 3.413 1.00 0.00 C ATOM 663 CD1 PHE A 89 -5.057 -1.213 2.699 1.00 0.00 C ATOM 664 CD2 PHE A 89 -3.081 -1.054 4.015 1.00 0.00 C ATOM 665 CE1 PHE A 89 -5.093 0.161 2.582 1.00 0.00 C ATOM 666 CE2 PHE A 89 -3.111 0.319 3.904 1.00 0.00 C ATOM 667 CZ PHE A 89 -4.118 0.928 3.187 1.00 0.00 C ATOM 0 H PHE A 89 -5.629 -3.980 1.787 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.932 -3.416 1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.996 -3.685 3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.318 -3.596 4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.824 -1.809 2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.290 -1.526 4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.882 0.636 2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.347 0.917 4.378 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.144 2.004 3.099 1.00 0.00 H new ATOM 677 N ARG A 90 -3.599 -6.381 2.954 1.00 0.00 N ATOM 678 CA ARG A 90 -3.022 -7.662 3.319 1.00 0.00 C ATOM 679 C ARG A 90 -2.481 -8.410 2.090 1.00 0.00 C ATOM 680 O ARG A 90 -1.583 -9.241 2.209 1.00 0.00 O ATOM 681 CB ARG A 90 -4.087 -8.472 4.033 1.00 0.00 C ATOM 682 CG ARG A 90 -3.618 -9.791 4.603 1.00 0.00 C ATOM 683 CD ARG A 90 -4.767 -10.452 5.326 1.00 0.00 C ATOM 684 NE ARG A 90 -5.259 -9.618 6.423 1.00 0.00 N ATOM 685 CZ ARG A 90 -6.543 -9.314 6.612 1.00 0.00 C ATOM 686 NH1 ARG A 90 -7.478 -9.843 5.833 1.00 0.00 N ATOM 687 NH2 ARG A 90 -6.891 -8.488 7.588 1.00 0.00 N ATOM 0 H ARG A 90 -4.619 -6.361 2.967 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.170 -7.504 3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.497 -7.869 4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.902 -8.665 3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.254 -10.438 3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.785 -9.630 5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.577 -10.646 4.623 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.446 -11.417 5.717 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.577 -9.246 7.084 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.216 -10.485 5.086 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.459 -9.607 5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.176 -8.085 8.194 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.873 -8.255 7.733 1.00 0.00 H new ATOM 701 N VAL A 91 -3.037 -8.115 0.918 1.00 0.00 N ATOM 702 CA VAL A 91 -2.569 -8.708 -0.337 1.00 0.00 C ATOM 703 C VAL A 91 -1.311 -7.999 -0.846 1.00 0.00 C ATOM 704 O VAL A 91 -0.357 -8.645 -1.288 1.00 0.00 O ATOM 705 CB VAL A 91 -3.666 -8.662 -1.428 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.090 -8.974 -2.805 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.786 -9.637 -1.097 1.00 0.00 C ATOM 0 H VAL A 91 -3.816 -7.466 0.809 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.329 -9.750 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.071 -7.650 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.885 -8.934 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.323 -8.240 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.650 -9.971 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.549 -9.592 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.383 -10.648 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.229 -9.370 -0.138 1.00 0.00 H new ATOM 717 N PHE A 92 -1.325 -6.670 -0.789 1.00 0.00 N ATOM 718 CA PHE A 92 -0.179 -5.870 -1.198 1.00 0.00 C ATOM 719 C PHE A 92 1.013 -6.208 -0.317 1.00 0.00 C ATOM 720 O PHE A 92 2.107 -6.498 -0.801 1.00 0.00 O ATOM 721 CB PHE A 92 -0.503 -4.364 -1.105 1.00 0.00 C ATOM 722 CG PHE A 92 -1.371 -3.831 -2.222 1.00 0.00 C ATOM 723 CD1 PHE A 92 -2.588 -4.428 -2.507 1.00 0.00 C ATOM 724 CD2 PHE A 92 -0.972 -2.747 -2.987 1.00 0.00 C ATOM 725 CE1 PHE A 92 -3.387 -3.957 -3.531 1.00 0.00 C ATOM 726 CE2 PHE A 92 -1.764 -2.271 -4.012 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.961 -2.825 -4.272 1.00 0.00 C ATOM 0 H PHE A 92 -2.122 -6.124 -0.462 1.00 0.00 H new ATOM 0 HA PHE A 92 0.061 -6.100 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.000 -4.172 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.433 -3.806 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.917 -5.273 -1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.027 -2.267 -2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.323 -4.444 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.418 -1.443 -4.613 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.595 -2.410 -5.041 1.00 0.00 H new ATOM 737 N ASP A 93 0.761 -6.201 0.979 1.00 0.00 N ATOM 738 CA ASP A 93 1.767 -6.489 1.992 1.00 0.00 C ATOM 739 C ASP A 93 2.388 -7.877 1.794 1.00 0.00 C ATOM 740 O ASP A 93 1.707 -8.834 1.429 1.00 0.00 O ATOM 741 CB ASP A 93 1.097 -6.420 3.364 1.00 0.00 C ATOM 742 CG ASP A 93 2.063 -6.158 4.490 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.155 -6.727 4.487 1.00 0.00 O ATOM 744 OD2 ASP A 93 1.751 -5.374 5.399 1.00 0.00 O ATOM 0 H ASP A 93 -0.160 -5.993 1.366 1.00 0.00 H new ATOM 0 HA ASP A 93 2.569 -5.755 1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.342 -5.633 3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.576 -7.359 3.553 1.00 0.00 H new ATOM 749 N LYS A 94 3.694 -7.970 2.035 1.00 0.00 N ATOM 750 CA LYS A 94 4.396 -9.253 2.022 1.00 0.00 C ATOM 751 C LYS A 94 4.089 -10.017 3.299 1.00 0.00 C ATOM 752 O LYS A 94 3.886 -11.230 3.295 1.00 0.00 O ATOM 753 CB LYS A 94 5.916 -9.064 1.968 1.00 0.00 C ATOM 754 CG LYS A 94 6.440 -8.335 0.751 1.00 0.00 C ATOM 755 CD LYS A 94 7.957 -8.286 0.785 1.00 0.00 C ATOM 756 CE LYS A 94 8.528 -7.608 -0.440 1.00 0.00 C ATOM 757 NZ LYS A 94 10.011 -7.609 -0.414 1.00 0.00 N ATOM 0 H LYS A 94 4.290 -7.169 2.243 1.00 0.00 H new ATOM 0 HA LYS A 94 4.059 -9.794 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.228 -8.519 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.388 -10.045 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.105 -8.838 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.036 -7.323 0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.283 -7.754 1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.351 -9.300 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.177 -8.118 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.164 -6.582 -0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.373 -7.137 -1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.344 -7.101 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.357 -8.589 -0.387 1.00 0.00 H new ATOM 771 N ASP A 95 4.077 -9.268 4.387 1.00 0.00 N ATOM 772 CA ASP A 95 4.001 -9.813 5.736 1.00 0.00 C ATOM 773 C ASP A 95 2.612 -9.626 6.344 1.00 0.00 C ATOM 774 O ASP A 95 2.375 -9.988 7.499 1.00 0.00 O ATOM 775 CB ASP A 95 5.046 -9.116 6.612 1.00 0.00 C ATOM 776 CG ASP A 95 4.925 -7.609 6.528 1.00 0.00 C ATOM 777 OD1 ASP A 95 3.976 -7.031 7.076 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.824 -6.955 5.994 1.00 0.00 O ATOM 0 H ASP A 95 4.120 -8.249 4.361 1.00 0.00 H new ATOM 0 HA ASP A 95 4.198 -10.884 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.925 -9.435 7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.045 -9.420 6.300 1.00 0.00 H new ATOM 783 N GLY A 96 1.707 -9.062 5.547 1.00 0.00 N ATOM 784 CA GLY A 96 0.341 -8.804 5.980 1.00 0.00 C ATOM 785 C GLY A 96 0.219 -8.011 7.274 1.00 0.00 C ATOM 786 O GLY A 96 -0.701 -8.261 8.049 1.00 0.00 O ATOM 0 H GLY A 96 1.901 -8.773 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.180 -8.264 5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.171 -9.758 6.105 1.00 0.00 H new ATOM 790 N ASN A 97 1.112 -7.045 7.525 1.00 0.00 N ATOM 791 CA ASN A 97 1.012 -6.225 8.739 1.00 0.00 C ATOM 792 C ASN A 97 -0.111 -5.196 8.633 1.00 0.00 C ATOM 793 O ASN A 97 -0.351 -4.437 9.573 1.00 0.00 O ATOM 794 CB ASN A 97 2.350 -5.521 9.081 1.00 0.00 C ATOM 795 CG ASN A 97 2.739 -4.380 8.138 1.00 0.00 C ATOM 796 OD1 ASN A 97 2.314 -3.166 8.457 1.00 0.00 O flip ATOM 797 ND2 ASN A 97 3.447 -4.580 7.141 1.00 0.00 N flip ATOM 0 H ASN A 97 1.898 -6.815 6.917 1.00 0.00 H new ATOM 0 HA ASN A 97 0.776 -6.911 9.553 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.288 -5.128 10.096 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.147 -6.265 9.075 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.760 -5.525 6.919 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.717 -3.800 6.542 1.00 0.00 H new ATOM 804 N GLY A 98 -0.805 -5.177 7.500 1.00 0.00 N ATOM 805 CA GLY A 98 -1.964 -4.318 7.371 1.00 0.00 C ATOM 806 C GLY A 98 -1.643 -2.961 6.782 1.00 0.00 C ATOM 807 O GLY A 98 -2.401 -2.012 6.970 1.00 0.00 O ATOM 0 H GLY A 98 -0.587 -5.737 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.705 -4.812 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.417 -4.182 8.353 1.00 0.00 H new ATOM 811 N TYR A 99 -0.537 -2.875 6.048 1.00 0.00 N ATOM 812 CA TYR A 99 -0.073 -1.600 5.504 1.00 0.00 C ATOM 813 C TYR A 99 0.732 -1.813 4.232 1.00 0.00 C ATOM 814 O TYR A 99 1.432 -2.811 4.085 1.00 0.00 O ATOM 815 CB TYR A 99 0.739 -0.806 6.537 1.00 0.00 C ATOM 816 CG TYR A 99 -0.131 -0.161 7.590 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.949 0.914 7.271 1.00 0.00 C ATOM 818 CD2 TYR A 99 -0.166 -0.649 8.886 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.781 1.484 8.212 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.990 -0.080 9.837 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.799 0.985 9.495 1.00 0.00 C ATOM 822 OH TYR A 99 -2.644 1.541 10.429 1.00 0.00 O ATOM 0 H TYR A 99 0.055 -3.672 5.816 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.956 -1.010 5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.455 -1.471 7.020 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.316 -0.035 6.026 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.934 1.312 6.267 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.460 -1.486 9.157 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.414 2.317 7.944 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.001 -0.467 10.845 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.538 1.075 11.285 1.00 0.00 H new ATOM 832 N ILE A 100 0.627 -0.863 3.318 1.00 0.00 N ATOM 833 CA ILE A 100 1.223 -1.000 2.002 1.00 0.00 C ATOM 834 C ILE A 100 2.421 -0.065 1.855 1.00 0.00 C ATOM 835 O ILE A 100 2.269 1.133 1.648 1.00 0.00 O ATOM 836 CB ILE A 100 0.179 -0.690 0.905 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.051 -1.585 1.084 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.774 -0.877 -0.485 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.223 -1.205 0.203 1.00 0.00 C ATOM 0 H ILE A 100 0.131 0.016 3.466 1.00 0.00 H new ATOM 0 HA ILE A 100 1.565 -2.029 1.888 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.123 0.353 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.771 -2.617 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.366 -1.547 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.018 -0.652 -1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.623 -0.205 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.108 -1.908 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.054 -1.886 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.532 -0.185 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.927 -1.271 -0.844 1.00 0.00 H new ATOM 851 N SER A 101 3.610 -0.619 1.975 1.00 0.00 N ATOM 852 CA SER A 101 4.832 0.148 1.789 1.00 0.00 C ATOM 853 C SER A 101 5.397 -0.149 0.405 1.00 0.00 C ATOM 854 O SER A 101 4.806 -0.923 -0.339 1.00 0.00 O ATOM 855 CB SER A 101 5.852 -0.189 2.884 1.00 0.00 C ATOM 856 OG SER A 101 6.981 0.666 2.817 1.00 0.00 O ATOM 0 H SER A 101 3.760 -1.602 2.202 1.00 0.00 H new ATOM 0 HA SER A 101 4.611 1.213 1.864 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.381 -0.097 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.172 -1.226 2.780 1.00 0.00 H new ATOM 0 HG SER A 101 6.998 1.248 3.606 1.00 0.00 H new ATOM 862 N ALA A 102 6.524 0.452 0.056 1.00 0.00 N ATOM 863 CA ALA A 102 7.107 0.261 -1.271 1.00 0.00 C ATOM 864 C ALA A 102 7.491 -1.197 -1.504 1.00 0.00 C ATOM 865 O ALA A 102 7.091 -1.799 -2.503 1.00 0.00 O ATOM 866 CB ALA A 102 8.316 1.155 -1.454 1.00 0.00 C ATOM 0 H ALA A 102 7.054 1.074 0.667 1.00 0.00 H new ATOM 0 HA ALA A 102 6.351 0.534 -2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.737 0.999 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.017 2.198 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.065 0.912 -0.701 1.00 0.00 H new ATOM 872 N ALA A 103 8.296 -1.744 -0.597 1.00 0.00 N ATOM 873 CA ALA A 103 8.651 -3.162 -0.629 1.00 0.00 C ATOM 874 C ALA A 103 7.412 -4.040 -0.804 1.00 0.00 C ATOM 875 O ALA A 103 7.395 -4.964 -1.625 1.00 0.00 O ATOM 876 CB ALA A 103 9.391 -3.544 0.644 1.00 0.00 C ATOM 0 H ALA A 103 8.717 -1.225 0.173 1.00 0.00 H new ATOM 0 HA ALA A 103 9.304 -3.328 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.651 -4.602 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.301 -2.949 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.752 -3.355 1.507 1.00 0.00 H new ATOM 882 N GLU A 104 6.370 -3.715 -0.046 1.00 0.00 N ATOM 883 CA GLU A 104 5.104 -4.436 -0.111 1.00 0.00 C ATOM 884 C GLU A 104 4.489 -4.260 -1.486 1.00 0.00 C ATOM 885 O GLU A 104 4.074 -5.221 -2.134 1.00 0.00 O ATOM 886 CB GLU A 104 4.117 -3.872 0.901 1.00 0.00 C ATOM 887 CG GLU A 104 4.722 -3.555 2.271 1.00 0.00 C ATOM 888 CD GLU A 104 4.996 -4.778 3.131 1.00 0.00 C ATOM 889 OE1 GLU A 104 5.421 -5.816 2.588 1.00 0.00 O ATOM 890 OE2 GLU A 104 4.771 -4.707 4.370 1.00 0.00 O ATOM 0 H GLU A 104 6.379 -2.949 0.627 1.00 0.00 H new ATOM 0 HA GLU A 104 5.303 -5.487 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.678 -2.962 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.304 -4.586 1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.655 -3.011 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.046 -2.891 2.809 1.00 0.00 H new ATOM 897 N LEU A 105 4.467 -3.009 -1.926 1.00 0.00 N ATOM 898 CA LEU A 105 3.821 -2.633 -3.164 1.00 0.00 C ATOM 899 C LEU A 105 4.411 -3.424 -4.310 1.00 0.00 C ATOM 900 O LEU A 105 3.685 -3.987 -5.098 1.00 0.00 O ATOM 901 CB LEU A 105 3.979 -1.131 -3.413 1.00 0.00 C ATOM 902 CG LEU A 105 3.232 -0.588 -4.631 1.00 0.00 C ATOM 903 CD1 LEU A 105 1.738 -0.850 -4.503 1.00 0.00 C ATOM 904 CD2 LEU A 105 3.504 0.900 -4.792 1.00 0.00 C ATOM 0 H LEU A 105 4.899 -2.230 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 105 2.757 -2.857 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.636 -0.595 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.040 -0.908 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 105 3.592 -1.105 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.223 -0.456 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.562 -1.923 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.358 -0.358 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.967 1.276 -5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.167 1.430 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.573 1.062 -4.928 1.00 0.00 H new ATOM 916 N ARG A 106 5.732 -3.521 -4.356 1.00 0.00 N ATOM 917 CA ARG A 106 6.384 -4.243 -5.439 1.00 0.00 C ATOM 918 C ARG A 106 5.997 -5.716 -5.398 1.00 0.00 C ATOM 919 O ARG A 106 5.672 -6.299 -6.427 1.00 0.00 O ATOM 920 CB ARG A 106 7.903 -4.099 -5.394 1.00 0.00 C ATOM 921 CG ARG A 106 8.391 -2.715 -5.779 1.00 0.00 C ATOM 922 CD ARG A 106 9.792 -2.772 -6.365 1.00 0.00 C ATOM 923 NE ARG A 106 9.805 -3.370 -7.699 1.00 0.00 N ATOM 924 CZ ARG A 106 10.539 -2.915 -8.713 1.00 0.00 C ATOM 925 NH1 ARG A 106 11.310 -1.846 -8.552 1.00 0.00 N ATOM 926 NH2 ARG A 106 10.500 -3.529 -9.888 1.00 0.00 N ATOM 0 H ARG A 106 6.366 -3.115 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 106 6.041 -3.803 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.253 -4.332 -4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.350 -4.833 -6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.708 -2.274 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.386 -2.067 -4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.205 -1.764 -6.416 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.438 -3.348 -5.703 1.00 0.00 H new ATOM 0 HE ARG A 106 9.216 -4.186 -7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.341 -1.371 -7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.871 -1.500 -9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.908 -4.350 -10.015 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.062 -3.180 -10.664 1.00 0.00 H new ATOM 940 N HIS A 107 6.014 -6.289 -4.199 1.00 0.00 N ATOM 941 CA HIS A 107 5.599 -7.678 -3.970 1.00 0.00 C ATOM 942 C HIS A 107 4.255 -7.992 -4.632 1.00 0.00 C ATOM 943 O HIS A 107 4.096 -9.028 -5.275 1.00 0.00 O ATOM 944 CB HIS A 107 5.512 -7.921 -2.457 1.00 0.00 C ATOM 945 CG HIS A 107 4.647 -9.077 -2.041 1.00 0.00 C ATOM 946 ND1 HIS A 107 3.350 -8.923 -1.597 1.00 0.00 N ATOM 947 CD2 HIS A 107 4.908 -10.399 -1.972 1.00 0.00 C ATOM 948 CE1 HIS A 107 2.856 -10.102 -1.273 1.00 0.00 C ATOM 949 NE2 HIS A 107 3.780 -11.019 -1.491 1.00 0.00 N ATOM 0 H HIS A 107 6.316 -5.806 -3.353 1.00 0.00 H new ATOM 0 HA HIS A 107 6.339 -8.340 -4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.519 -8.086 -2.074 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.134 -7.016 -1.981 1.00 0.00 H new ATOM 0 HD1 HIS A 107 2.851 -8.036 -1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 107 5.835 -10.882 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.862 -10.286 -0.893 1.00 0.00 H new ATOM 958 N VAL A 108 3.295 -7.102 -4.466 1.00 0.00 N ATOM 959 CA VAL A 108 1.970 -7.322 -5.030 1.00 0.00 C ATOM 960 C VAL A 108 1.919 -6.840 -6.482 1.00 0.00 C ATOM 961 O VAL A 108 1.190 -7.382 -7.314 1.00 0.00 O ATOM 962 CB VAL A 108 0.869 -6.618 -4.209 1.00 0.00 C ATOM 963 CG1 VAL A 108 1.010 -5.109 -4.284 1.00 0.00 C ATOM 964 CG2 VAL A 108 -0.511 -7.051 -4.674 1.00 0.00 C ATOM 0 H VAL A 108 3.402 -6.228 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 108 1.781 -8.395 -4.996 1.00 0.00 H new ATOM 0 HB VAL A 108 0.989 -6.915 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.221 -4.640 -3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.982 -4.814 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.929 -4.787 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.271 -6.542 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.638 -6.793 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.615 -8.129 -4.549 1.00 0.00 H new ATOM 974 N MET A 109 2.723 -5.824 -6.764 1.00 0.00 N ATOM 975 CA MET A 109 2.610 -5.064 -7.996 1.00 0.00 C ATOM 976 C MET A 109 3.286 -5.766 -9.172 1.00 0.00 C ATOM 977 O MET A 109 2.599 -6.302 -10.041 1.00 0.00 O ATOM 978 CB MET A 109 3.196 -3.663 -7.780 1.00 0.00 C ATOM 979 CG MET A 109 2.754 -2.641 -8.814 1.00 0.00 C ATOM 980 SD MET A 109 3.490 -1.017 -8.541 1.00 0.00 S ATOM 981 CE MET A 109 2.753 -0.088 -9.887 1.00 0.00 C ATOM 0 H MET A 109 3.469 -5.506 -6.146 1.00 0.00 H new ATOM 0 HA MET A 109 1.554 -4.982 -8.253 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.910 -3.309 -6.790 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.284 -3.730 -7.792 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.024 -2.996 -9.809 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.668 -2.552 -8.791 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.110 0.942 -9.857 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.033 -0.541 -10.838 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.668 -0.099 -9.785 1.00 0.00 H new ATOM 991 N THR A 110 4.618 -5.781 -9.226 1.00 0.00 N ATOM 992 CA THR A 110 5.303 -6.428 -10.337 1.00 0.00 C ATOM 993 C THR A 110 6.382 -7.405 -9.857 1.00 0.00 C ATOM 994 O THR A 110 6.793 -8.299 -10.597 1.00 0.00 O ATOM 995 CB THR A 110 5.965 -5.370 -11.244 1.00 0.00 C ATOM 996 OG1 THR A 110 5.085 -4.247 -11.401 1.00 0.00 O ATOM 997 CG2 THR A 110 6.296 -5.946 -12.612 1.00 0.00 C ATOM 0 H THR A 110 5.231 -5.361 -8.527 1.00 0.00 H new ATOM 0 HA THR A 110 4.550 -6.988 -10.891 1.00 0.00 H new ATOM 0 HB THR A 110 6.894 -5.052 -10.770 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.510 -3.577 -11.976 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.761 -5.176 -13.228 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.984 -6.784 -12.497 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.381 -6.291 -13.093 1.00 0.00 H new ATOM 1005 N ASN A 111 6.832 -7.241 -8.616 1.00 0.00 N ATOM 1006 CA ASN A 111 7.937 -8.041 -8.088 1.00 0.00 C ATOM 1007 C ASN A 111 7.434 -9.418 -7.663 1.00 0.00 C ATOM 1008 O ASN A 111 6.267 -9.746 -7.876 1.00 0.00 O ATOM 1009 CB ASN A 111 8.615 -7.324 -6.912 1.00 0.00 C ATOM 1010 CG ASN A 111 10.025 -7.825 -6.649 1.00 0.00 C ATOM 1011 OD1 ASN A 111 10.728 -8.241 -7.568 1.00 0.00 O ATOM 1012 ND2 ASN A 111 10.444 -7.800 -5.394 1.00 0.00 N ATOM 0 H ASN A 111 6.450 -6.563 -7.957 1.00 0.00 H new ATOM 0 HA ASN A 111 8.679 -8.170 -8.876 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.647 -6.254 -7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 111 8.013 -7.460 -6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.380 -8.133 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 111 9.831 -7.447 -4.659 1.00 0.00 H new