USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 572 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 49 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.087) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -0.665 X(o=-1.4,f=-1.4) USER MOD Set 2.2: A 27 TYR OH : rot 180:sc= -0.694 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.8 F(o=-5.4!,f=-1.8) USER MOD Single : A 10 LYS NZ :NH3+ -134:sc= 0.307 (180deg=-0.000841) USER MOD Single : A 12 CYS SG : rot -120:sc= -5.23! USER MOD Single : A 13 MET CE :methyl 148:sc= -2.26 (180deg=-5.9!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 175:sc= 0 (180deg=-0.0459) USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= -0.303 (180deg=-1.97!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot -170:sc= -2.77! USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 52 SER OG : rot 170:sc= -0.252 USER MOD Single : A 53 GLN : amide:sc= -1.97! C(o=-2!,f=-1.8!) USER MOD Single : A 61 MET CE :methyl -125:sc= -3.12! (180deg=-6.75!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.729 F(o=-2.5,f=-0.73) USER MOD Single : A 67 SER OG : rot 180:sc= 0.112 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 76 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0532) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N PRO A 3 66.622 12.585 2.869 1.00 0.00 N ATOM 31 CA PRO A 3 66.649 11.198 2.349 1.00 0.00 C ATOM 32 C PRO A 3 65.612 11.023 1.239 1.00 0.00 C ATOM 33 O PRO A 3 65.890 10.456 0.200 1.00 0.00 O ATOM 34 CB PRO A 3 66.281 10.369 3.583 1.00 0.00 C ATOM 35 CG PRO A 3 66.052 11.322 4.772 1.00 0.00 C ATOM 36 CD PRO A 3 66.277 12.765 4.298 1.00 0.00 C ATOM 0 HA PRO A 3 67.605 10.912 1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.382 9.784 3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.078 9.662 3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.040 11.205 5.160 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.735 11.081 5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.384 13.377 4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 3 67.080 13.253 4.851 1.00 0.00 H new ATOM 44 N GLU A 4 64.422 11.508 1.447 1.00 0.00 N ATOM 45 CA GLU A 4 63.369 11.372 0.400 1.00 0.00 C ATOM 46 C GLU A 4 63.933 11.808 -0.952 1.00 0.00 C ATOM 47 O GLU A 4 63.766 11.139 -1.956 1.00 0.00 O ATOM 48 CB GLU A 4 62.239 12.302 0.841 1.00 0.00 C ATOM 49 CG GLU A 4 62.788 13.713 1.063 1.00 0.00 C ATOM 50 CD GLU A 4 61.811 14.508 1.931 1.00 0.00 C ATOM 51 OE1 GLU A 4 60.854 15.030 1.383 1.00 0.00 O ATOM 52 OE2 GLU A 4 62.036 14.582 3.127 1.00 0.00 O ATOM 0 H GLU A 4 64.131 11.993 2.296 1.00 0.00 H new ATOM 0 HA GLU A 4 63.019 10.346 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 4 61.455 12.322 0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.786 11.929 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 4 63.764 13.664 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.932 14.214 0.106 1.00 0.00 H new ATOM 59 N VAL A 5 64.614 12.919 -0.985 1.00 0.00 N ATOM 60 CA VAL A 5 65.201 13.389 -2.268 1.00 0.00 C ATOM 61 C VAL A 5 65.998 12.250 -2.899 1.00 0.00 C ATOM 62 O VAL A 5 65.866 11.957 -4.070 1.00 0.00 O ATOM 63 CB VAL A 5 66.121 14.547 -1.883 1.00 0.00 C ATOM 64 CG1 VAL A 5 67.042 14.878 -3.058 1.00 0.00 C ATOM 65 CG2 VAL A 5 65.276 15.776 -1.536 1.00 0.00 C ATOM 0 H VAL A 5 64.789 13.520 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 5 64.449 13.703 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 5 66.721 14.263 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 5 67.699 15.704 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.643 14.003 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 5 66.442 15.163 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.931 16.602 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.676 16.061 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.618 15.541 -0.699 1.00 0.00 H new ATOM 75 N LEU A 6 66.816 11.600 -2.121 1.00 0.00 N ATOM 76 CA LEU A 6 67.620 10.467 -2.660 1.00 0.00 C ATOM 77 C LEU A 6 66.694 9.426 -3.282 1.00 0.00 C ATOM 78 O LEU A 6 66.884 8.993 -4.401 1.00 0.00 O ATOM 79 CB LEU A 6 68.333 9.870 -1.445 1.00 0.00 C ATOM 80 CG LEU A 6 69.226 10.924 -0.793 1.00 0.00 C ATOM 81 CD1 LEU A 6 70.000 10.283 0.360 1.00 0.00 C ATOM 82 CD2 LEU A 6 70.211 11.466 -1.831 1.00 0.00 C ATOM 0 H LEU A 6 66.964 11.804 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 6 68.321 10.788 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 6 67.600 9.507 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 6 68.932 9.012 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 6 68.614 11.742 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 6 70.639 11.031 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 6 69.298 9.892 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 6 70.615 9.469 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 6 70.850 12.219 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.827 10.650 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.659 11.916 -2.656 1.00 0.00 H new ATOM 94 N ALA A 7 65.693 9.022 -2.556 1.00 0.00 N ATOM 95 CA ALA A 7 64.745 8.007 -3.087 1.00 0.00 C ATOM 96 C ALA A 7 64.224 8.436 -4.458 1.00 0.00 C ATOM 97 O ALA A 7 63.838 7.620 -5.270 1.00 0.00 O ATOM 98 CB ALA A 7 63.607 7.963 -2.068 1.00 0.00 C ATOM 0 H ALA A 7 65.489 9.353 -1.613 1.00 0.00 H new ATOM 0 HA ALA A 7 65.213 7.031 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 7 62.861 7.235 -2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.002 7.675 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.145 8.948 -1.996 1.00 0.00 H new ATOM 104 N LYS A 8 64.205 9.713 -4.720 1.00 0.00 N ATOM 105 CA LYS A 8 63.703 10.195 -6.038 1.00 0.00 C ATOM 106 C LYS A 8 64.805 10.128 -7.104 1.00 0.00 C ATOM 107 O LYS A 8 64.639 9.506 -8.134 1.00 0.00 O ATOM 108 CB LYS A 8 63.279 11.642 -5.791 1.00 0.00 C ATOM 109 CG LYS A 8 61.818 11.676 -5.338 1.00 0.00 C ATOM 110 CD LYS A 8 60.925 12.029 -6.527 1.00 0.00 C ATOM 111 CE LYS A 8 60.196 13.344 -6.246 1.00 0.00 C ATOM 112 NZ LYS A 8 58.816 12.940 -5.854 1.00 0.00 N ATOM 0 H LYS A 8 64.515 10.444 -4.079 1.00 0.00 H new ATOM 0 HA LYS A 8 62.882 9.582 -6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 8 63.917 12.094 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.402 12.229 -6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.530 10.708 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 8 61.690 12.410 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 8 61.526 12.120 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 8 60.203 11.231 -6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 8 60.685 13.905 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 8 60.185 13.986 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.252 13.788 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 58.373 12.414 -6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 58.858 12.335 -5.009 1.00 0.00 H new ATOM 126 N ASN A 9 65.924 10.768 -6.878 1.00 0.00 N ATOM 127 CA ASN A 9 67.017 10.734 -7.899 1.00 0.00 C ATOM 128 C ASN A 9 67.548 9.309 -8.067 1.00 0.00 C ATOM 129 O ASN A 9 68.292 9.018 -8.983 1.00 0.00 O ATOM 130 CB ASN A 9 68.110 11.650 -7.350 1.00 0.00 C ATOM 131 CG ASN A 9 67.476 12.940 -6.835 1.00 0.00 C ATOM 132 OD1 ASN A 9 67.378 13.132 -5.551 1.00 0.00 O flip ATOM 133 ND2 ASN A 9 67.065 13.781 -7.609 1.00 0.00 N flip ATOM 0 H ASN A 9 66.128 11.309 -6.038 1.00 0.00 H new ATOM 0 HA ASN A 9 66.668 11.059 -8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.649 11.150 -6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.838 11.875 -8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 9 67.142 13.630 -8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 9 66.643 14.639 -7.253 1.00 0.00 H new ATOM 140 N LYS A 10 67.175 8.417 -7.193 1.00 0.00 N ATOM 141 CA LYS A 10 67.662 7.014 -7.310 1.00 0.00 C ATOM 142 C LYS A 10 66.572 6.130 -7.920 1.00 0.00 C ATOM 143 O LYS A 10 66.826 5.027 -8.361 1.00 0.00 O ATOM 144 CB LYS A 10 67.970 6.583 -5.875 1.00 0.00 C ATOM 145 CG LYS A 10 69.111 7.438 -5.321 1.00 0.00 C ATOM 146 CD LYS A 10 70.321 7.347 -6.254 1.00 0.00 C ATOM 147 CE LYS A 10 71.504 8.093 -5.633 1.00 0.00 C ATOM 148 NZ LYS A 10 72.490 8.237 -6.740 1.00 0.00 N ATOM 0 H LYS A 10 66.555 8.598 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 10 68.536 6.928 -7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.082 6.694 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.246 5.529 -5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.789 8.475 -5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.383 7.097 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.585 6.303 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.077 7.776 -7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.199 9.066 -5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 10 71.927 7.536 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 73.438 7.981 -6.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 72.225 7.608 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 72.497 9.222 -7.073 1.00 0.00 H new ATOM 162 N GLY A 11 65.358 6.612 -7.953 1.00 0.00 N ATOM 163 CA GLY A 11 64.251 5.805 -8.538 1.00 0.00 C ATOM 164 C GLY A 11 63.668 4.878 -7.471 1.00 0.00 C ATOM 165 O GLY A 11 62.909 3.976 -7.768 1.00 0.00 O ATOM 0 H GLY A 11 65.086 7.530 -7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.474 6.464 -8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.621 5.219 -9.380 1.00 0.00 H new ATOM 169 N CYS A 12 64.015 5.086 -6.229 1.00 0.00 N ATOM 170 CA CYS A 12 63.476 4.207 -5.154 1.00 0.00 C ATOM 171 C CYS A 12 61.955 4.347 -5.065 1.00 0.00 C ATOM 172 O CYS A 12 61.245 3.381 -4.876 1.00 0.00 O ATOM 173 CB CYS A 12 64.128 4.700 -3.860 1.00 0.00 C ATOM 174 SG CYS A 12 65.921 4.847 -4.080 1.00 0.00 S ATOM 0 H CYS A 12 64.646 5.823 -5.914 1.00 0.00 H new ATOM 0 HA CYS A 12 63.692 3.156 -5.345 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.708 5.666 -3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.909 4.007 -3.047 1.00 0.00 H new ATOM 0 HG CYS A 12 66.527 4.072 -3.231 1.00 0.00 H new ATOM 179 N MET A 13 61.448 5.543 -5.192 1.00 0.00 N ATOM 180 CA MET A 13 59.973 5.741 -5.104 1.00 0.00 C ATOM 181 C MET A 13 59.283 5.246 -6.378 1.00 0.00 C ATOM 182 O MET A 13 58.083 5.360 -6.527 1.00 0.00 O ATOM 183 CB MET A 13 59.790 7.250 -4.948 1.00 0.00 C ATOM 184 CG MET A 13 60.769 7.777 -3.897 1.00 0.00 C ATOM 185 SD MET A 13 59.853 8.654 -2.605 1.00 0.00 S ATOM 186 CE MET A 13 58.665 7.338 -2.237 1.00 0.00 C ATOM 0 H MET A 13 61.991 6.391 -5.353 1.00 0.00 H new ATOM 0 HA MET A 13 59.534 5.184 -4.277 1.00 0.00 H new ATOM 0 HB2 MET A 13 59.961 7.748 -5.902 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.766 7.474 -4.651 1.00 0.00 H new ATOM 0 HG2 MET A 13 61.332 6.951 -3.462 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.493 8.446 -4.362 1.00 0.00 H new ATOM 0 HE1 MET A 13 58.393 7.378 -1.182 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.772 7.472 -2.848 1.00 0.00 H new ATOM 0 HE3 MET A 13 59.114 6.370 -2.459 1.00 0.00 H new ATOM 196 N ALA A 14 60.026 4.699 -7.301 1.00 0.00 N ATOM 197 CA ALA A 14 59.398 4.206 -8.559 1.00 0.00 C ATOM 198 C ALA A 14 58.694 2.870 -8.317 1.00 0.00 C ATOM 199 O ALA A 14 57.546 2.688 -8.673 1.00 0.00 O ATOM 200 CB ALA A 14 60.556 4.033 -9.542 1.00 0.00 C ATOM 0 H ALA A 14 61.036 4.573 -7.239 1.00 0.00 H new ATOM 0 HA ALA A 14 58.643 4.895 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 14 60.172 3.671 -10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 14 61.053 4.992 -9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.269 3.313 -9.141 1.00 0.00 H new ATOM 206 N CYS A 15 59.373 1.932 -7.723 1.00 0.00 N ATOM 207 CA CYS A 15 58.746 0.605 -7.466 1.00 0.00 C ATOM 208 C CYS A 15 58.260 0.505 -6.017 1.00 0.00 C ATOM 209 O CYS A 15 57.522 -0.392 -5.666 1.00 0.00 O ATOM 210 CB CYS A 15 59.866 -0.409 -7.697 1.00 0.00 C ATOM 211 SG CYS A 15 60.475 -0.295 -9.399 1.00 0.00 S ATOM 0 H CYS A 15 60.337 2.025 -7.403 1.00 0.00 H new ATOM 0 HA CYS A 15 57.882 0.438 -8.109 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.682 -0.225 -6.998 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.500 -1.417 -7.501 1.00 0.00 H new ATOM 0 HG CYS A 15 61.428 -1.161 -9.578 1.00 0.00 H new ATOM 216 N HIS A 16 58.686 1.396 -5.167 1.00 0.00 N ATOM 217 CA HIS A 16 58.264 1.310 -3.738 1.00 0.00 C ATOM 218 C HIS A 16 57.215 2.365 -3.384 1.00 0.00 C ATOM 219 O HIS A 16 56.889 3.236 -4.166 1.00 0.00 O ATOM 220 CB HIS A 16 59.539 1.564 -2.940 1.00 0.00 C ATOM 221 CG HIS A 16 60.238 0.261 -2.679 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.647 -0.755 -1.945 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.476 -0.206 -3.043 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.523 -1.775 -1.890 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.653 -1.493 -2.542 1.00 0.00 N ATOM 0 H HIS A 16 59.303 2.175 -5.395 1.00 0.00 H new ATOM 0 HA HIS A 16 57.807 0.344 -3.524 1.00 0.00 H new ATOM 0 HB2 HIS A 16 60.196 2.237 -3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.298 2.054 -1.997 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.718 -0.734 -1.524 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.201 0.340 -3.628 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.335 -2.708 -1.380 1.00 0.00 H new ATOM 233 N ALA A 17 56.702 2.286 -2.185 1.00 0.00 N ATOM 234 CA ALA A 17 55.685 3.267 -1.717 1.00 0.00 C ATOM 235 C ALA A 17 55.819 3.434 -0.200 1.00 0.00 C ATOM 236 O ALA A 17 56.663 2.821 0.422 1.00 0.00 O ATOM 237 CB ALA A 17 54.333 2.649 -2.075 1.00 0.00 C ATOM 0 H ALA A 17 56.950 1.571 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 17 55.802 4.250 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.532 3.318 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 17 54.276 2.498 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 17 54.226 1.690 -1.568 1.00 0.00 H new ATOM 243 N ILE A 18 55.004 4.249 0.405 1.00 0.00 N ATOM 244 CA ILE A 18 55.108 4.434 1.883 1.00 0.00 C ATOM 245 C ILE A 18 54.205 3.435 2.611 1.00 0.00 C ATOM 246 O ILE A 18 54.435 3.095 3.755 1.00 0.00 O ATOM 247 CB ILE A 18 54.639 5.866 2.138 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.496 6.835 1.320 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.782 6.191 3.626 1.00 0.00 C ATOM 250 CD1 ILE A 18 54.682 7.363 0.137 1.00 0.00 C ATOM 0 H ILE A 18 54.274 4.794 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 18 56.121 4.266 2.247 1.00 0.00 H new ATOM 0 HB ILE A 18 53.594 5.965 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 18 55.826 7.664 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 18 56.393 6.330 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.448 7.212 3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.174 5.500 4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.827 6.093 3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 18 55.292 8.053 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 18 54.374 6.529 -0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 18 53.798 7.883 0.507 1.00 0.00 H new ATOM 262 N ASP A 19 53.175 2.966 1.963 1.00 0.00 N ATOM 263 CA ASP A 19 52.256 1.995 2.631 1.00 0.00 C ATOM 264 C ASP A 19 51.474 1.164 1.604 1.00 0.00 C ATOM 265 O ASP A 19 51.065 0.053 1.880 1.00 0.00 O ATOM 266 CB ASP A 19 51.304 2.861 3.456 1.00 0.00 C ATOM 267 CG ASP A 19 50.594 3.858 2.538 1.00 0.00 C ATOM 268 OD1 ASP A 19 51.282 4.622 1.880 1.00 0.00 O ATOM 269 OD2 ASP A 19 49.374 3.841 2.509 1.00 0.00 O ATOM 0 H ASP A 19 52.928 3.210 1.004 1.00 0.00 H new ATOM 0 HA ASP A 19 52.805 1.279 3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 19 50.572 2.233 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 19 51.858 3.393 4.229 1.00 0.00 H new ATOM 274 N THR A 20 51.251 1.685 0.427 1.00 0.00 N ATOM 275 CA THR A 20 50.488 0.913 -0.594 1.00 0.00 C ATOM 276 C THR A 20 51.313 -0.286 -1.073 1.00 0.00 C ATOM 277 O THR A 20 52.370 -0.571 -0.546 1.00 0.00 O ATOM 278 CB THR A 20 50.258 1.901 -1.738 1.00 0.00 C ATOM 279 OG1 THR A 20 51.512 2.320 -2.256 1.00 0.00 O ATOM 280 CG2 THR A 20 49.488 3.115 -1.216 1.00 0.00 C ATOM 0 H THR A 20 51.564 2.609 0.130 1.00 0.00 H new ATOM 0 HA THR A 20 49.551 0.516 -0.203 1.00 0.00 H new ATOM 0 HB THR A 20 49.681 1.419 -2.527 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.368 2.952 -2.991 1.00 0.00 H new ATOM 0 HG21 THR A 20 49.324 3.820 -2.031 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.527 2.792 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 20 50.064 3.600 -0.428 1.00 0.00 H new ATOM 288 N LYS A 21 50.838 -0.997 -2.059 1.00 0.00 N ATOM 289 CA LYS A 21 51.598 -2.177 -2.553 1.00 0.00 C ATOM 290 C LYS A 21 51.870 -2.065 -4.055 1.00 0.00 C ATOM 291 O LYS A 21 50.998 -2.280 -4.873 1.00 0.00 O ATOM 292 CB LYS A 21 50.700 -3.381 -2.262 1.00 0.00 C ATOM 293 CG LYS A 21 51.550 -4.523 -1.699 1.00 0.00 C ATOM 294 CD LYS A 21 50.654 -5.499 -0.934 1.00 0.00 C ATOM 295 CE LYS A 21 50.792 -6.899 -1.537 1.00 0.00 C ATOM 296 NZ LYS A 21 49.439 -7.508 -1.407 1.00 0.00 N ATOM 0 H LYS A 21 49.959 -0.812 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 21 52.570 -2.261 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 21 49.923 -3.105 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.197 -3.702 -3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.062 -5.042 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 21 52.320 -4.125 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 21 50.933 -5.516 0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 21 49.616 -5.171 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 21 51.105 -6.851 -2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 21 51.542 -7.486 -1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 49.453 -8.471 -1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 49.171 -7.547 -0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 48.747 -6.932 -1.928 1.00 0.00 H new ATOM 310 N MET A 22 53.081 -1.747 -4.421 1.00 0.00 N ATOM 311 CA MET A 22 53.424 -1.639 -5.868 1.00 0.00 C ATOM 312 C MET A 22 54.303 -2.831 -6.266 1.00 0.00 C ATOM 313 O MET A 22 54.007 -3.961 -5.934 1.00 0.00 O ATOM 314 CB MET A 22 54.196 -0.325 -5.995 1.00 0.00 C ATOM 315 CG MET A 22 53.387 0.809 -5.365 1.00 0.00 C ATOM 316 SD MET A 22 52.963 2.027 -6.635 1.00 0.00 S ATOM 317 CE MET A 22 54.136 3.306 -6.124 1.00 0.00 C ATOM 0 H MET A 22 53.850 -1.557 -3.779 1.00 0.00 H new ATOM 0 HA MET A 22 52.548 -1.649 -6.517 1.00 0.00 H new ATOM 0 HB2 MET A 22 55.164 -0.412 -5.502 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.391 -0.106 -7.045 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.480 0.413 -4.909 1.00 0.00 H new ATOM 0 HG3 MET A 22 53.963 1.283 -4.570 1.00 0.00 H new ATOM 0 HE1 MET A 22 54.108 4.131 -6.836 1.00 0.00 H new ATOM 0 HE2 MET A 22 53.866 3.672 -5.134 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.142 2.886 -6.094 1.00 0.00 H new ATOM 327 N VAL A 23 55.390 -2.597 -6.952 1.00 0.00 N ATOM 328 CA VAL A 23 56.274 -3.735 -7.334 1.00 0.00 C ATOM 329 C VAL A 23 56.948 -4.287 -6.078 1.00 0.00 C ATOM 330 O VAL A 23 56.958 -5.475 -5.831 1.00 0.00 O ATOM 331 CB VAL A 23 57.310 -3.139 -8.289 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.443 -4.144 -8.508 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.645 -2.824 -9.631 1.00 0.00 C ATOM 0 H VAL A 23 55.701 -1.676 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 23 55.730 -4.555 -7.804 1.00 0.00 H new ATOM 0 HB VAL A 23 57.715 -2.223 -7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.180 -3.718 -9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 23 58.918 -4.370 -7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 23 58.039 -5.060 -8.938 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.383 -2.399 -10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.240 -3.740 -10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 23 55.838 -2.108 -9.478 1.00 0.00 H new ATOM 343 N GLY A 24 57.499 -3.421 -5.276 1.00 0.00 N ATOM 344 CA GLY A 24 58.161 -3.872 -4.022 1.00 0.00 C ATOM 345 C GLY A 24 57.193 -3.669 -2.851 1.00 0.00 C ATOM 346 O GLY A 24 56.183 -3.011 -2.997 1.00 0.00 O ATOM 0 H GLY A 24 57.519 -2.414 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.443 -4.922 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.078 -3.307 -3.855 1.00 0.00 H new ATOM 350 N PRO A 25 57.527 -4.242 -1.722 1.00 0.00 N ATOM 351 CA PRO A 25 56.668 -4.120 -0.521 1.00 0.00 C ATOM 352 C PRO A 25 56.654 -2.674 -0.023 1.00 0.00 C ATOM 353 O PRO A 25 57.653 -1.983 -0.069 1.00 0.00 O ATOM 354 CB PRO A 25 57.368 -5.035 0.488 1.00 0.00 C ATOM 355 CG PRO A 25 58.615 -5.644 -0.182 1.00 0.00 C ATOM 356 CD PRO A 25 58.767 -5.039 -1.583 1.00 0.00 C ATOM 0 HA PRO A 25 55.627 -4.389 -0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.653 -4.471 1.376 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.691 -5.824 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.503 -5.439 0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.517 -6.728 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.660 -4.419 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.844 -5.808 -2.351 1.00 0.00 H new ATOM 364 N ALA A 26 55.533 -2.211 0.461 1.00 0.00 N ATOM 365 CA ALA A 26 55.468 -0.812 0.968 1.00 0.00 C ATOM 366 C ALA A 26 56.695 -0.519 1.835 1.00 0.00 C ATOM 367 O ALA A 26 57.453 -1.407 2.173 1.00 0.00 O ATOM 368 CB ALA A 26 54.191 -0.755 1.807 1.00 0.00 C ATOM 0 H ALA A 26 54.663 -2.739 0.527 1.00 0.00 H new ATOM 0 HA ALA A 26 55.458 -0.075 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.070 0.247 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.333 -0.996 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.259 -1.476 2.622 1.00 0.00 H new ATOM 374 N TYR A 27 56.901 0.715 2.203 1.00 0.00 N ATOM 375 CA TYR A 27 58.083 1.046 3.047 1.00 0.00 C ATOM 376 C TYR A 27 57.737 0.866 4.529 1.00 0.00 C ATOM 377 O TYR A 27 58.404 0.146 5.249 1.00 0.00 O ATOM 378 CB TYR A 27 58.397 2.514 2.741 1.00 0.00 C ATOM 379 CG TYR A 27 59.314 2.610 1.542 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.376 1.708 1.387 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.105 3.613 0.588 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.225 1.813 0.279 1.00 0.00 C ATOM 383 CE2 TYR A 27 59.957 3.718 -0.518 1.00 0.00 C ATOM 384 CZ TYR A 27 61.017 2.817 -0.672 1.00 0.00 C ATOM 385 OH TYR A 27 61.856 2.921 -1.762 1.00 0.00 O ATOM 0 H TYR A 27 56.305 1.505 1.957 1.00 0.00 H new ATOM 0 HA TYR A 27 58.935 0.399 2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.473 3.059 2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 27 58.867 2.982 3.606 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.539 0.933 2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.286 4.307 0.705 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.042 1.117 0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.796 4.494 -1.252 1.00 0.00 H new ATOM 0 HH TYR A 27 61.570 3.671 -2.324 1.00 0.00 H new ATOM 395 N LYS A 28 56.697 1.506 4.990 1.00 0.00 N ATOM 396 CA LYS A 28 56.309 1.366 6.422 1.00 0.00 C ATOM 397 C LYS A 28 56.230 -0.113 6.798 1.00 0.00 C ATOM 398 O LYS A 28 56.788 -0.545 7.787 1.00 0.00 O ATOM 399 CB LYS A 28 54.932 2.021 6.526 1.00 0.00 C ATOM 400 CG LYS A 28 54.692 2.488 7.963 1.00 0.00 C ATOM 401 CD LYS A 28 53.567 1.660 8.590 1.00 0.00 C ATOM 402 CE LYS A 28 52.274 1.874 7.799 1.00 0.00 C ATOM 403 NZ LYS A 28 52.140 3.352 7.672 1.00 0.00 N ATOM 0 H LYS A 28 56.099 2.120 4.437 1.00 0.00 H new ATOM 0 HA LYS A 28 57.030 1.830 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 28 54.869 2.868 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.158 1.313 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 28 55.605 2.382 8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 28 54.428 3.546 7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.835 0.604 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 28 53.422 1.952 9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 28 52.326 1.397 6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 28 51.418 1.443 8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 51.138 3.600 7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 52.500 3.809 8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 52.688 3.681 6.851 1.00 0.00 H new ATOM 417 N ASP A 29 55.540 -0.890 6.014 1.00 0.00 N ATOM 418 CA ASP A 29 55.424 -2.344 6.322 1.00 0.00 C ATOM 419 C ASP A 29 56.816 -2.962 6.471 1.00 0.00 C ATOM 420 O ASP A 29 57.064 -3.750 7.363 1.00 0.00 O ATOM 421 CB ASP A 29 54.696 -2.951 5.122 1.00 0.00 C ATOM 422 CG ASP A 29 53.186 -2.871 5.348 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.786 -2.674 6.484 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.455 -3.008 4.382 1.00 0.00 O ATOM 0 H ASP A 29 55.051 -0.583 5.173 1.00 0.00 H new ATOM 0 HA ASP A 29 54.890 -2.526 7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 29 54.967 -2.418 4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.000 -3.989 4.986 1.00 0.00 H new ATOM 429 N VAL A 30 57.726 -2.611 5.602 1.00 0.00 N ATOM 430 CA VAL A 30 59.102 -3.179 5.693 1.00 0.00 C ATOM 431 C VAL A 30 59.698 -2.903 7.074 1.00 0.00 C ATOM 432 O VAL A 30 60.388 -3.728 7.640 1.00 0.00 O ATOM 433 CB VAL A 30 59.904 -2.456 4.612 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.389 -2.786 4.774 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.428 -2.915 3.232 1.00 0.00 C ATOM 0 H VAL A 30 57.576 -1.956 4.834 1.00 0.00 H new ATOM 0 HA VAL A 30 59.110 -4.260 5.552 1.00 0.00 H new ATOM 0 HB VAL A 30 59.757 -1.380 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 30 61.962 -2.271 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.729 -2.461 5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.535 -3.862 4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.000 -2.400 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.575 -3.991 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.370 -2.682 3.116 1.00 0.00 H new ATOM 445 N ALA A 31 59.437 -1.749 7.621 1.00 0.00 N ATOM 446 CA ALA A 31 59.989 -1.420 8.966 1.00 0.00 C ATOM 447 C ALA A 31 59.194 -2.146 10.054 1.00 0.00 C ATOM 448 O ALA A 31 59.701 -2.426 11.123 1.00 0.00 O ATOM 449 CB ALA A 31 59.824 0.094 9.104 1.00 0.00 C ATOM 0 H ALA A 31 58.866 -1.019 7.196 1.00 0.00 H new ATOM 0 HA ALA A 31 61.029 -1.728 9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.209 0.415 10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.378 0.594 8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.768 0.353 9.029 1.00 0.00 H new ATOM 455 N ALA A 32 57.954 -2.452 9.793 1.00 0.00 N ATOM 456 CA ALA A 32 57.131 -3.158 10.817 1.00 0.00 C ATOM 457 C ALA A 32 57.615 -4.601 10.981 1.00 0.00 C ATOM 458 O ALA A 32 57.498 -5.189 12.038 1.00 0.00 O ATOM 459 CB ALA A 32 55.704 -3.130 10.268 1.00 0.00 C ATOM 0 H ALA A 32 57.474 -2.245 8.917 1.00 0.00 H new ATOM 0 HA ALA A 32 57.199 -2.687 11.798 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.035 -3.632 10.967 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.384 -2.096 10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.674 -3.642 9.306 1.00 0.00 H new ATOM 465 N LYS A 33 58.160 -5.177 9.945 1.00 0.00 N ATOM 466 CA LYS A 33 58.651 -6.580 10.045 1.00 0.00 C ATOM 467 C LYS A 33 60.071 -6.598 10.619 1.00 0.00 C ATOM 468 O LYS A 33 60.372 -7.352 11.524 1.00 0.00 O ATOM 469 CB LYS A 33 58.627 -7.117 8.610 1.00 0.00 C ATOM 470 CG LYS A 33 59.559 -8.326 8.491 1.00 0.00 C ATOM 471 CD LYS A 33 58.867 -9.430 7.690 1.00 0.00 C ATOM 472 CE LYS A 33 59.289 -10.797 8.232 1.00 0.00 C ATOM 473 NZ LYS A 33 58.775 -11.778 7.238 1.00 0.00 N ATOM 0 H LYS A 33 58.286 -4.737 9.034 1.00 0.00 H new ATOM 0 HA LYS A 33 58.038 -7.191 10.708 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.611 -7.401 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.938 -6.337 7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 33 60.488 -8.035 8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.823 -8.693 9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 33 57.785 -9.319 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 33 59.131 -9.348 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 33 60.372 -10.866 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 33 58.867 -10.978 9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 59.025 -12.741 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 57.741 -11.694 7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 59.200 -11.585 6.308 1.00 0.00 H new ATOM 487 N TYR A 34 60.946 -5.775 10.107 1.00 0.00 N ATOM 488 CA TYR A 34 62.340 -5.753 10.639 1.00 0.00 C ATOM 489 C TYR A 34 62.379 -4.995 11.967 1.00 0.00 C ATOM 490 O TYR A 34 63.402 -4.912 12.616 1.00 0.00 O ATOM 491 CB TYR A 34 63.166 -5.028 9.576 1.00 0.00 C ATOM 492 CG TYR A 34 63.476 -5.980 8.446 1.00 0.00 C ATOM 493 CD1 TYR A 34 62.440 -6.483 7.650 1.00 0.00 C ATOM 494 CD2 TYR A 34 64.799 -6.361 8.196 1.00 0.00 C ATOM 495 CE1 TYR A 34 62.728 -7.367 6.602 1.00 0.00 C ATOM 496 CE2 TYR A 34 65.088 -7.245 7.150 1.00 0.00 C ATOM 497 CZ TYR A 34 64.052 -7.748 6.353 1.00 0.00 C ATOM 498 OH TYR A 34 64.336 -8.619 5.322 1.00 0.00 O ATOM 0 H TYR A 34 60.758 -5.120 9.348 1.00 0.00 H new ATOM 0 HA TYR A 34 62.726 -6.754 10.831 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.617 -4.165 9.199 1.00 0.00 H new ATOM 0 HB3 TYR A 34 64.091 -4.651 10.013 1.00 0.00 H new ATOM 0 HD1 TYR A 34 61.419 -6.190 7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 34 65.598 -5.973 8.811 1.00 0.00 H new ATOM 0 HE1 TYR A 34 61.929 -7.754 5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 34 66.109 -7.539 6.958 1.00 0.00 H new ATOM 0 HH TYR A 34 65.302 -8.778 5.285 1.00 0.00 H new ATOM 508 N ALA A 35 61.268 -4.443 12.378 1.00 0.00 N ATOM 509 CA ALA A 35 61.241 -3.695 13.667 1.00 0.00 C ATOM 510 C ALA A 35 61.814 -4.566 14.788 1.00 0.00 C ATOM 511 O ALA A 35 61.330 -5.649 15.054 1.00 0.00 O ATOM 512 CB ALA A 35 59.764 -3.393 13.922 1.00 0.00 C ATOM 0 H ALA A 35 60.380 -4.478 11.877 1.00 0.00 H new ATOM 0 HA ALA A 35 61.839 -2.784 13.631 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.661 -2.842 14.857 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.368 -2.794 13.102 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.208 -4.328 13.989 1.00 0.00 H new ATOM 518 N GLY A 36 62.842 -4.105 15.444 1.00 0.00 N ATOM 519 CA GLY A 36 63.446 -4.908 16.544 1.00 0.00 C ATOM 520 C GLY A 36 64.934 -5.118 16.261 1.00 0.00 C ATOM 521 O GLY A 36 65.754 -5.101 17.157 1.00 0.00 O ATOM 0 H GLY A 36 63.290 -3.206 15.266 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.314 -4.396 17.497 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.941 -5.870 16.626 1.00 0.00 H new ATOM 525 N GLN A 37 65.288 -5.312 15.020 1.00 0.00 N ATOM 526 CA GLN A 37 66.724 -5.519 14.678 1.00 0.00 C ATOM 527 C GLN A 37 67.533 -4.267 15.028 1.00 0.00 C ATOM 528 O GLN A 37 67.212 -3.172 14.609 1.00 0.00 O ATOM 529 CB GLN A 37 66.742 -5.766 13.169 1.00 0.00 C ATOM 530 CG GLN A 37 65.934 -7.025 12.846 1.00 0.00 C ATOM 531 CD GLN A 37 66.855 -8.076 12.225 1.00 0.00 C ATOM 532 OE1 GLN A 37 67.627 -8.710 12.916 1.00 0.00 O ATOM 533 NE2 GLN A 37 66.805 -8.290 10.938 1.00 0.00 N ATOM 0 H GLN A 37 64.645 -5.336 14.228 1.00 0.00 H new ATOM 0 HA GLN A 37 67.166 -6.349 15.230 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.322 -4.908 12.645 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.769 -5.881 12.821 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.475 -7.418 13.753 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.124 -6.784 12.158 1.00 0.00 H new ATOM 0 HE21 GLN A 37 66.157 -7.758 10.357 1.00 0.00 H new ATOM 0 HE22 GLN A 37 67.414 -8.989 10.513 1.00 0.00 H new ATOM 542 N ALA A 38 68.576 -4.418 15.796 1.00 0.00 N ATOM 543 CA ALA A 38 69.400 -3.237 16.174 1.00 0.00 C ATOM 544 C ALA A 38 70.459 -2.961 15.103 1.00 0.00 C ATOM 545 O ALA A 38 71.613 -2.732 15.405 1.00 0.00 O ATOM 546 CB ALA A 38 70.064 -3.628 17.495 1.00 0.00 C ATOM 0 H ALA A 38 68.893 -5.309 16.178 1.00 0.00 H new ATOM 0 HA ALA A 38 68.803 -2.330 16.267 1.00 0.00 H new ATOM 0 HB1 ALA A 38 70.692 -2.808 17.843 1.00 0.00 H new ATOM 0 HB2 ALA A 38 69.296 -3.839 18.240 1.00 0.00 H new ATOM 0 HB3 ALA A 38 70.678 -4.516 17.345 1.00 0.00 H new ATOM 552 N GLY A 39 70.079 -2.977 13.853 1.00 0.00 N ATOM 553 CA GLY A 39 71.074 -2.711 12.774 1.00 0.00 C ATOM 554 C GLY A 39 70.549 -3.243 11.439 1.00 0.00 C ATOM 555 O GLY A 39 71.285 -3.802 10.652 1.00 0.00 O ATOM 0 H GLY A 39 69.128 -3.162 13.534 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.265 -1.640 12.699 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.024 -3.188 13.017 1.00 0.00 H new ATOM 559 N ALA A 40 69.282 -3.071 11.172 1.00 0.00 N ATOM 560 CA ALA A 40 68.721 -3.565 9.882 1.00 0.00 C ATOM 561 C ALA A 40 69.049 -2.578 8.759 1.00 0.00 C ATOM 562 O ALA A 40 68.901 -2.879 7.592 1.00 0.00 O ATOM 563 CB ALA A 40 67.209 -3.644 10.105 1.00 0.00 C ATOM 0 H ALA A 40 68.613 -2.611 11.790 1.00 0.00 H new ATOM 0 HA ALA A 40 69.136 -4.530 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.725 -4.001 9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.997 -4.332 10.923 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.826 -2.655 10.355 1.00 0.00 H new ATOM 569 N GLU A 41 69.500 -1.403 9.104 1.00 0.00 N ATOM 570 CA GLU A 41 69.842 -0.401 8.057 1.00 0.00 C ATOM 571 C GLU A 41 71.166 -0.779 7.386 1.00 0.00 C ATOM 572 O GLU A 41 71.442 -0.384 6.270 1.00 0.00 O ATOM 573 CB GLU A 41 69.968 0.929 8.804 1.00 0.00 C ATOM 574 CG GLU A 41 71.219 0.915 9.684 1.00 0.00 C ATOM 575 CD GLU A 41 70.824 1.177 11.138 1.00 0.00 C ATOM 576 OE1 GLU A 41 69.945 1.995 11.355 1.00 0.00 O ATOM 577 OE2 GLU A 41 71.408 0.555 12.011 1.00 0.00 O ATOM 0 H GLU A 41 69.646 -1.094 10.065 1.00 0.00 H new ATOM 0 HA GLU A 41 69.091 -0.348 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 41 70.023 1.752 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 41 69.083 1.097 9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 41 71.724 -0.047 9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 41 71.923 1.675 9.345 1.00 0.00 H new ATOM 584 N ALA A 42 71.982 -1.551 8.052 1.00 0.00 N ATOM 585 CA ALA A 42 73.279 -1.958 7.443 1.00 0.00 C ATOM 586 C ALA A 42 73.027 -2.960 6.320 1.00 0.00 C ATOM 587 O ALA A 42 73.488 -2.792 5.209 1.00 0.00 O ATOM 588 CB ALA A 42 74.073 -2.608 8.577 1.00 0.00 C ATOM 0 H ALA A 42 71.807 -1.916 8.988 1.00 0.00 H new ATOM 0 HA ALA A 42 73.818 -1.115 7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 42 75.043 -2.934 8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.219 -1.885 9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.524 -3.469 8.959 1.00 0.00 H new ATOM 594 N TYR A 43 72.284 -3.996 6.595 1.00 0.00 N ATOM 595 CA TYR A 43 71.991 -4.995 5.532 1.00 0.00 C ATOM 596 C TYR A 43 71.064 -4.360 4.504 1.00 0.00 C ATOM 597 O TYR A 43 71.153 -4.624 3.322 1.00 0.00 O ATOM 598 CB TYR A 43 71.310 -6.155 6.263 1.00 0.00 C ATOM 599 CG TYR A 43 70.642 -7.071 5.267 1.00 0.00 C ATOM 600 CD1 TYR A 43 71.408 -7.974 4.522 1.00 0.00 C ATOM 601 CD2 TYR A 43 69.253 -7.023 5.097 1.00 0.00 C ATOM 602 CE1 TYR A 43 70.786 -8.829 3.605 1.00 0.00 C ATOM 603 CE2 TYR A 43 68.630 -7.879 4.181 1.00 0.00 C ATOM 604 CZ TYR A 43 69.396 -8.782 3.435 1.00 0.00 C ATOM 605 OH TYR A 43 68.782 -9.627 2.532 1.00 0.00 O ATOM 0 H TYR A 43 71.869 -4.193 7.506 1.00 0.00 H new ATOM 0 HA TYR A 43 72.877 -5.337 4.997 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.045 -6.711 6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.572 -5.769 6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 43 72.479 -8.011 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 43 68.662 -6.326 5.672 1.00 0.00 H new ATOM 0 HE1 TYR A 43 71.377 -9.525 3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 43 67.559 -7.843 4.050 1.00 0.00 H new ATOM 0 HH TYR A 43 67.846 -9.361 2.420 1.00 0.00 H new ATOM 615 N LEU A 44 70.197 -3.492 4.943 1.00 0.00 N ATOM 616 CA LEU A 44 69.292 -2.806 3.988 1.00 0.00 C ATOM 617 C LEU A 44 70.145 -2.004 3.009 1.00 0.00 C ATOM 618 O LEU A 44 69.790 -1.815 1.866 1.00 0.00 O ATOM 619 CB LEU A 44 68.429 -1.885 4.853 1.00 0.00 C ATOM 620 CG LEU A 44 67.282 -2.692 5.464 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.492 -1.810 6.431 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.355 -3.181 4.350 1.00 0.00 C ATOM 0 H LEU A 44 70.078 -3.230 5.921 1.00 0.00 H new ATOM 0 HA LEU A 44 68.672 -3.488 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.033 -1.436 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.033 -1.067 4.251 1.00 0.00 H new ATOM 0 HG LEU A 44 67.689 -3.547 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.675 -2.387 6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.151 -1.460 7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.085 -0.954 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.537 -3.756 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 44 65.950 -2.324 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 44 66.916 -3.811 3.660 1.00 0.00 H new ATOM 634 N ALA A 45 71.284 -1.545 3.452 1.00 0.00 N ATOM 635 CA ALA A 45 72.174 -0.769 2.546 1.00 0.00 C ATOM 636 C ALA A 45 72.869 -1.715 1.565 1.00 0.00 C ATOM 637 O ALA A 45 73.039 -1.401 0.403 1.00 0.00 O ATOM 638 CB ALA A 45 73.195 -0.099 3.466 1.00 0.00 C ATOM 0 H ALA A 45 71.635 -1.674 4.401 1.00 0.00 H new ATOM 0 HA ALA A 45 71.627 -0.037 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.889 0.493 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.677 0.550 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.748 -0.863 4.013 1.00 0.00 H new ATOM 644 N GLN A 46 73.270 -2.876 2.016 1.00 0.00 N ATOM 645 CA GLN A 46 73.946 -3.829 1.090 1.00 0.00 C ATOM 646 C GLN A 46 72.919 -4.449 0.143 1.00 0.00 C ATOM 647 O GLN A 46 73.256 -4.963 -0.905 1.00 0.00 O ATOM 648 CB GLN A 46 74.572 -4.899 1.986 1.00 0.00 C ATOM 649 CG GLN A 46 76.018 -5.144 1.548 1.00 0.00 C ATOM 650 CD GLN A 46 76.559 -6.398 2.239 1.00 0.00 C ATOM 651 OE1 GLN A 46 76.083 -6.747 3.402 1.00 0.00 O flip ATOM 652 NE2 GLN A 46 77.427 -7.068 1.713 1.00 0.00 N flip ATOM 0 H GLN A 46 73.159 -3.202 2.976 1.00 0.00 H new ATOM 0 HA GLN A 46 74.699 -3.339 0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.545 -4.579 3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 46 73.999 -5.824 1.922 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.065 -5.264 0.466 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.636 -4.282 1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 46 77.800 -6.796 0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 46 77.782 -7.902 2.181 1.00 0.00 H new ATOM 661 N ARG A 47 71.666 -4.396 0.500 1.00 0.00 N ATOM 662 CA ARG A 47 70.614 -4.974 -0.383 1.00 0.00 C ATOM 663 C ARG A 47 70.112 -3.906 -1.351 1.00 0.00 C ATOM 664 O ARG A 47 69.614 -4.204 -2.419 1.00 0.00 O ATOM 665 CB ARG A 47 69.499 -5.413 0.564 1.00 0.00 C ATOM 666 CG ARG A 47 69.958 -6.631 1.364 1.00 0.00 C ATOM 667 CD ARG A 47 69.649 -7.903 0.572 1.00 0.00 C ATOM 668 NE ARG A 47 70.782 -8.823 0.864 1.00 0.00 N ATOM 669 CZ ARG A 47 70.737 -10.067 0.468 1.00 0.00 C ATOM 670 NH1 ARG A 47 69.698 -10.509 -0.189 1.00 0.00 N ATOM 671 NH2 ARG A 47 71.733 -10.869 0.726 1.00 0.00 N ATOM 0 H ARG A 47 71.325 -3.977 1.365 1.00 0.00 H new ATOM 0 HA ARG A 47 70.981 -5.806 -0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.240 -4.598 1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 47 68.600 -5.655 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.027 -6.566 1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.452 -6.658 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 47 68.698 -8.338 0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 47 69.574 -7.695 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 47 71.596 -8.481 1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 47 68.920 -9.882 -0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 47 69.665 -11.481 -0.497 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.546 -10.525 1.237 1.00 0.00 H new ATOM 0 HH22 ARG A 47 71.699 -11.841 0.417 1.00 0.00 H new ATOM 685 N ILE A 48 70.251 -2.661 -0.992 1.00 0.00 N ATOM 686 CA ILE A 48 69.797 -1.572 -1.897 1.00 0.00 C ATOM 687 C ILE A 48 70.920 -1.226 -2.875 1.00 0.00 C ATOM 688 O ILE A 48 70.696 -0.641 -3.915 1.00 0.00 O ATOM 689 CB ILE A 48 69.497 -0.388 -0.978 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.338 -0.744 -0.043 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.113 0.828 -1.821 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.359 0.191 1.168 1.00 0.00 C ATOM 0 H ILE A 48 70.660 -2.351 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 48 68.924 -1.850 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 48 70.383 -0.157 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.389 -0.653 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.423 -1.781 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 48 68.899 1.672 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 48 69.938 1.085 -2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.228 0.595 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.535 -0.060 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.304 0.077 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.253 1.223 0.833 1.00 0.00 H new ATOM 704 N LYS A 49 72.133 -1.586 -2.544 1.00 0.00 N ATOM 705 CA LYS A 49 73.276 -1.282 -3.448 1.00 0.00 C ATOM 706 C LYS A 49 73.457 -2.400 -4.479 1.00 0.00 C ATOM 707 O LYS A 49 74.027 -2.198 -5.533 1.00 0.00 O ATOM 708 CB LYS A 49 74.494 -1.203 -2.529 1.00 0.00 C ATOM 709 CG LYS A 49 75.524 -0.244 -3.126 1.00 0.00 C ATOM 710 CD LYS A 49 76.933 -0.780 -2.866 1.00 0.00 C ATOM 711 CE LYS A 49 77.628 -1.058 -4.202 1.00 0.00 C ATOM 712 NZ LYS A 49 78.421 -2.298 -3.971 1.00 0.00 N ATOM 0 H LYS A 49 72.379 -2.078 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 49 73.122 -0.360 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.194 -0.860 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 49 74.933 -2.193 -2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 49 75.357 -0.136 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.413 0.746 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 49 77.508 -0.056 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.883 -1.693 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 49 76.902 -1.197 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 49 78.270 -0.227 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 79.079 -2.442 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 78.959 -2.206 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 77.779 -3.113 -3.903 1.00 0.00 H new ATOM 726 N ASN A 50 72.983 -3.582 -4.184 1.00 0.00 N ATOM 727 CA ASN A 50 73.139 -4.707 -5.152 1.00 0.00 C ATOM 728 C ASN A 50 71.778 -5.345 -5.454 1.00 0.00 C ATOM 729 O ASN A 50 71.659 -6.204 -6.307 1.00 0.00 O ATOM 730 CB ASN A 50 74.051 -5.709 -4.444 1.00 0.00 C ATOM 731 CG ASN A 50 75.401 -5.054 -4.145 1.00 0.00 C ATOM 732 OD1 ASN A 50 76.258 -4.979 -5.004 1.00 0.00 O ATOM 733 ND2 ASN A 50 75.629 -4.570 -2.953 1.00 0.00 N ATOM 0 H ASN A 50 72.497 -3.816 -3.319 1.00 0.00 H new ATOM 0 HA ASN A 50 73.551 -4.376 -6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 50 73.587 -6.047 -3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 50 74.194 -6.590 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 50 76.525 -4.130 -2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 50 74.911 -4.632 -2.231 1.00 0.00 H new ATOM 740 N GLY A 51 70.755 -4.934 -4.758 1.00 0.00 N ATOM 741 CA GLY A 51 69.399 -5.517 -4.993 1.00 0.00 C ATOM 742 C GLY A 51 69.483 -7.045 -4.920 1.00 0.00 C ATOM 743 O GLY A 51 70.556 -7.600 -4.803 1.00 0.00 O ATOM 0 H GLY A 51 70.797 -4.217 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.697 -5.144 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.022 -5.209 -5.968 1.00 0.00 H new ATOM 747 N SER A 52 68.360 -7.729 -4.983 1.00 0.00 N ATOM 748 CA SER A 52 68.381 -9.235 -4.906 1.00 0.00 C ATOM 749 C SER A 52 66.993 -9.792 -4.556 1.00 0.00 C ATOM 750 O SER A 52 66.117 -9.073 -4.122 1.00 0.00 O ATOM 751 CB SER A 52 69.348 -9.569 -3.772 1.00 0.00 C ATOM 752 OG SER A 52 69.052 -10.864 -3.269 1.00 0.00 O ATOM 0 H SER A 52 67.433 -7.315 -5.084 1.00 0.00 H new ATOM 0 HA SER A 52 68.677 -9.669 -5.861 1.00 0.00 H new ATOM 0 HB2 SER A 52 70.376 -9.533 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 52 69.263 -8.829 -2.976 1.00 0.00 H new ATOM 0 HG SER A 52 69.763 -11.148 -2.657 1.00 0.00 H new ATOM 758 N GLN A 53 66.799 -11.080 -4.717 1.00 0.00 N ATOM 759 CA GLN A 53 65.475 -11.686 -4.372 1.00 0.00 C ATOM 760 C GLN A 53 65.545 -12.361 -2.999 1.00 0.00 C ATOM 761 O GLN A 53 66.457 -12.127 -2.232 1.00 0.00 O ATOM 762 CB GLN A 53 65.176 -12.703 -5.487 1.00 0.00 C ATOM 763 CG GLN A 53 65.793 -14.072 -5.170 1.00 0.00 C ATOM 764 CD GLN A 53 67.318 -13.963 -5.182 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.920 -13.813 -6.227 1.00 0.00 O ATOM 766 NE2 GLN A 53 67.973 -14.033 -4.056 1.00 0.00 N ATOM 0 H GLN A 53 67.497 -11.734 -5.071 1.00 0.00 H new ATOM 0 HA GLN A 53 64.685 -10.938 -4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.098 -12.807 -5.609 1.00 0.00 H new ATOM 0 HB3 GLN A 53 65.570 -12.334 -6.434 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.451 -14.419 -4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.465 -14.808 -5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.468 -14.159 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.991 -13.962 -4.053 1.00 0.00 H new ATOM 775 N GLY A 54 64.585 -13.181 -2.674 1.00 0.00 N ATOM 776 CA GLY A 54 64.604 -13.843 -1.340 1.00 0.00 C ATOM 777 C GLY A 54 64.471 -12.760 -0.274 1.00 0.00 C ATOM 778 O GLY A 54 64.789 -12.957 0.882 1.00 0.00 O ATOM 0 H GLY A 54 63.793 -13.420 -3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.787 -14.560 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.531 -14.400 -1.204 1.00 0.00 H new ATOM 782 N VAL A 55 64.001 -11.609 -0.670 1.00 0.00 N ATOM 783 CA VAL A 55 63.835 -10.484 0.288 1.00 0.00 C ATOM 784 C VAL A 55 62.393 -10.471 0.800 1.00 0.00 C ATOM 785 O VAL A 55 62.126 -10.745 1.953 1.00 0.00 O ATOM 786 CB VAL A 55 64.133 -9.225 -0.539 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.515 -8.078 0.389 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.299 -9.492 -1.498 1.00 0.00 C ATOM 0 H VAL A 55 63.722 -11.400 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 55 64.488 -10.558 1.158 1.00 0.00 H new ATOM 0 HB VAL A 55 63.242 -8.962 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.726 -7.187 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.691 -7.874 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.402 -8.352 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.504 -8.594 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.186 -9.763 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.037 -10.309 -2.170 1.00 0.00 H new ATOM 798 N TRP A 56 61.466 -10.169 -0.063 1.00 0.00 N ATOM 799 CA TRP A 56 60.038 -10.149 0.337 1.00 0.00 C ATOM 800 C TRP A 56 59.252 -11.086 -0.581 1.00 0.00 C ATOM 801 O TRP A 56 58.328 -11.756 -0.167 1.00 0.00 O ATOM 802 CB TRP A 56 59.606 -8.706 0.116 1.00 0.00 C ATOM 803 CG TRP A 56 60.252 -7.821 1.136 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.405 -7.141 0.946 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.810 -7.506 2.490 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.701 -6.431 2.095 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.749 -6.623 3.075 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.699 -7.895 3.261 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.592 -6.143 4.375 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.539 -7.413 4.573 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.483 -6.539 5.126 1.00 0.00 C ATOM 0 H TRP A 56 61.641 -9.933 -1.040 1.00 0.00 H new ATOM 0 HA TRP A 56 59.871 -10.474 1.364 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.884 -8.383 -0.887 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.521 -8.627 0.187 1.00 0.00 H new ATOM 0 HD1 TRP A 56 61.998 -7.151 0.044 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.523 -5.837 2.205 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.965 -8.568 2.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.323 -5.470 4.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.683 -7.719 5.157 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.354 -6.171 6.133 1.00 0.00 H new ATOM 822 N GLY A 57 59.628 -11.130 -1.830 1.00 0.00 N ATOM 823 CA GLY A 57 58.927 -12.017 -2.800 1.00 0.00 C ATOM 824 C GLY A 57 59.944 -12.549 -3.820 1.00 0.00 C ATOM 825 O GLY A 57 61.121 -12.266 -3.720 1.00 0.00 O ATOM 0 H GLY A 57 60.396 -10.585 -2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.451 -12.846 -2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.136 -11.466 -3.310 1.00 0.00 H new ATOM 829 N PRO A 58 59.455 -13.307 -4.772 1.00 0.00 N ATOM 830 CA PRO A 58 60.330 -13.893 -5.826 1.00 0.00 C ATOM 831 C PRO A 58 60.875 -12.820 -6.787 1.00 0.00 C ATOM 832 O PRO A 58 61.469 -13.142 -7.796 1.00 0.00 O ATOM 833 CB PRO A 58 59.367 -14.823 -6.573 1.00 0.00 C ATOM 834 CG PRO A 58 57.970 -14.714 -5.931 1.00 0.00 C ATOM 835 CD PRO A 58 58.012 -13.637 -4.841 1.00 0.00 C ATOM 0 HA PRO A 58 61.210 -14.387 -5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.320 -14.549 -7.627 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.724 -15.852 -6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.226 -14.459 -6.686 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.675 -15.672 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.409 -12.768 -5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.635 -14.009 -3.888 1.00 0.00 H new ATOM 843 N ILE A 59 60.673 -11.558 -6.504 1.00 0.00 N ATOM 844 CA ILE A 59 61.183 -10.500 -7.429 1.00 0.00 C ATOM 845 C ILE A 59 62.416 -9.801 -6.834 1.00 0.00 C ATOM 846 O ILE A 59 62.282 -8.938 -5.992 1.00 0.00 O ATOM 847 CB ILE A 59 60.033 -9.503 -7.563 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.756 -10.241 -7.988 1.00 0.00 C ATOM 849 CG2 ILE A 59 60.396 -8.453 -8.614 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.728 -9.230 -8.505 1.00 0.00 C ATOM 0 H ILE A 59 60.181 -11.216 -5.679 1.00 0.00 H new ATOM 0 HA ILE A 59 61.488 -10.918 -8.389 1.00 0.00 H new ATOM 0 HB ILE A 59 59.860 -9.014 -6.604 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.986 -10.970 -8.765 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.345 -10.794 -7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.578 -7.739 -8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 59 61.300 -7.928 -8.307 1.00 0.00 H new ATOM 0 HG23 ILE A 59 60.569 -8.942 -9.573 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.821 -9.755 -8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.489 -8.518 -7.715 1.00 0.00 H new ATOM 0 HD13 ILE A 59 58.141 -8.697 -9.362 1.00 0.00 H new ATOM 862 N PRO A 60 63.582 -10.185 -7.297 1.00 0.00 N ATOM 863 CA PRO A 60 64.841 -9.572 -6.805 1.00 0.00 C ATOM 864 C PRO A 60 64.901 -8.089 -7.181 1.00 0.00 C ATOM 865 O PRO A 60 64.646 -7.718 -8.310 1.00 0.00 O ATOM 866 CB PRO A 60 65.917 -10.344 -7.577 1.00 0.00 C ATOM 867 CG PRO A 60 65.226 -11.365 -8.503 1.00 0.00 C ATOM 868 CD PRO A 60 63.708 -11.249 -8.322 1.00 0.00 C ATOM 0 HA PRO A 60 64.948 -9.624 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.528 -9.657 -8.162 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.586 -10.855 -6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.498 -11.177 -9.542 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.558 -12.375 -8.265 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.209 -10.976 -9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 60 63.267 -12.188 -7.987 1.00 0.00 H new ATOM 876 N MET A 61 65.253 -7.239 -6.257 1.00 0.00 N ATOM 877 CA MET A 61 65.343 -5.792 -6.589 1.00 0.00 C ATOM 878 C MET A 61 66.563 -5.543 -7.476 1.00 0.00 C ATOM 879 O MET A 61 67.628 -6.057 -7.194 1.00 0.00 O ATOM 880 CB MET A 61 65.532 -5.095 -5.247 1.00 0.00 C ATOM 881 CG MET A 61 65.790 -3.606 -5.479 1.00 0.00 C ATOM 882 SD MET A 61 67.413 -3.151 -4.824 1.00 0.00 S ATOM 883 CE MET A 61 66.813 -2.237 -3.385 1.00 0.00 C ATOM 0 H MET A 61 65.481 -7.482 -5.293 1.00 0.00 H new ATOM 0 HA MET A 61 64.464 -5.432 -7.123 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.646 -5.229 -4.627 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.368 -5.540 -4.708 1.00 0.00 H new ATOM 0 HG2 MET A 61 65.743 -3.382 -6.545 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.014 -3.014 -4.994 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.233 -1.231 -3.392 1.00 0.00 H new ATOM 0 HE2 MET A 61 65.725 -2.176 -3.420 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.118 -2.752 -2.474 1.00 0.00 H new ATOM 893 N PRO A 62 66.385 -4.753 -8.512 1.00 0.00 N ATOM 894 CA PRO A 62 67.513 -4.435 -9.418 1.00 0.00 C ATOM 895 C PRO A 62 68.585 -3.651 -8.645 1.00 0.00 C ATOM 896 O PRO A 62 68.269 -2.693 -7.971 1.00 0.00 O ATOM 897 CB PRO A 62 66.850 -3.557 -10.486 1.00 0.00 C ATOM 898 CG PRO A 62 65.355 -3.405 -10.146 1.00 0.00 C ATOM 899 CD PRO A 62 65.069 -4.152 -8.836 1.00 0.00 C ATOM 0 HA PRO A 62 68.012 -5.308 -9.838 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.330 -2.579 -10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.969 -4.007 -11.472 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.096 -2.351 -10.044 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.741 -3.807 -10.952 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.727 -3.477 -8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.297 -4.911 -8.962 1.00 0.00 H new ATOM 907 N PRO A 63 69.818 -4.082 -8.753 1.00 0.00 N ATOM 908 CA PRO A 63 70.919 -3.400 -8.034 1.00 0.00 C ATOM 909 C PRO A 63 71.030 -1.940 -8.479 1.00 0.00 C ATOM 910 O PRO A 63 70.960 -1.630 -9.652 1.00 0.00 O ATOM 911 CB PRO A 63 72.148 -4.206 -8.458 1.00 0.00 C ATOM 912 CG PRO A 63 71.700 -5.326 -9.418 1.00 0.00 C ATOM 913 CD PRO A 63 70.178 -5.250 -9.589 1.00 0.00 C ATOM 0 HA PRO A 63 70.783 -3.366 -6.953 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.874 -3.557 -8.948 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.640 -4.632 -7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.194 -5.216 -10.383 1.00 0.00 H new ATOM 0 HG3 PRO A 63 71.987 -6.300 -9.022 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.894 -5.106 -10.631 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.686 -6.160 -9.247 1.00 0.00 H new ATOM 921 N ASN A 64 71.195 -1.041 -7.549 1.00 0.00 N ATOM 922 CA ASN A 64 71.302 0.402 -7.913 1.00 0.00 C ATOM 923 C ASN A 64 72.734 0.899 -7.705 1.00 0.00 C ATOM 924 O ASN A 64 73.528 0.271 -7.033 1.00 0.00 O ATOM 925 CB ASN A 64 70.345 1.116 -6.959 1.00 0.00 C ATOM 926 CG ASN A 64 68.959 0.479 -7.060 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.732 -0.656 -6.458 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 68.073 1.020 -7.693 1.00 0.00 N flip ATOM 0 H ASN A 64 71.261 -1.242 -6.551 1.00 0.00 H new ATOM 0 HA ASN A 64 71.054 0.584 -8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.715 1.048 -5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.289 2.176 -7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.251 1.907 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.152 0.587 -7.754 1.00 0.00 H new ATOM 935 N ALA A 65 73.066 2.026 -8.273 1.00 0.00 N ATOM 936 CA ALA A 65 74.444 2.568 -8.107 1.00 0.00 C ATOM 937 C ALA A 65 74.483 3.545 -6.930 1.00 0.00 C ATOM 938 O ALA A 65 75.185 4.537 -6.954 1.00 0.00 O ATOM 939 CB ALA A 65 74.749 3.291 -9.420 1.00 0.00 C ATOM 0 H ALA A 65 72.442 2.595 -8.845 1.00 0.00 H new ATOM 0 HA ALA A 65 75.175 1.787 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.750 3.719 -9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.693 2.583 -10.247 1.00 0.00 H new ATOM 0 HB3 ALA A 65 74.021 4.087 -9.575 1.00 0.00 H new ATOM 945 N VAL A 66 73.738 3.266 -5.898 1.00 0.00 N ATOM 946 CA VAL A 66 73.732 4.174 -4.713 1.00 0.00 C ATOM 947 C VAL A 66 74.899 3.833 -3.785 1.00 0.00 C ATOM 948 O VAL A 66 74.866 2.847 -3.075 1.00 0.00 O ATOM 949 CB VAL A 66 72.398 3.916 -4.005 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.252 4.469 -4.853 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.205 2.410 -3.808 1.00 0.00 C ATOM 0 H VAL A 66 73.132 2.449 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 66 73.840 5.220 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 66 72.403 4.412 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.304 4.285 -4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.387 5.542 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.247 3.975 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.256 2.228 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.202 1.914 -4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.020 2.015 -3.201 1.00 0.00 H new ATOM 961 N SER A 67 75.929 4.640 -3.778 1.00 0.00 N ATOM 962 CA SER A 67 77.089 4.356 -2.884 1.00 0.00 C ATOM 963 C SER A 67 76.573 3.915 -1.515 1.00 0.00 C ATOM 964 O SER A 67 75.533 4.350 -1.075 1.00 0.00 O ATOM 965 CB SER A 67 77.842 5.682 -2.774 1.00 0.00 C ATOM 966 OG SER A 67 77.073 6.595 -2.001 1.00 0.00 O ATOM 0 H SER A 67 76.016 5.480 -4.351 1.00 0.00 H new ATOM 0 HA SER A 67 77.732 3.562 -3.264 1.00 0.00 H new ATOM 0 HB2 SER A 67 78.815 5.524 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 67 78.026 6.093 -3.767 1.00 0.00 H new ATOM 0 HG SER A 67 77.553 7.446 -1.927 1.00 0.00 H new ATOM 972 N ASP A 68 77.275 3.048 -0.843 1.00 0.00 N ATOM 973 CA ASP A 68 76.793 2.585 0.491 1.00 0.00 C ATOM 974 C ASP A 68 76.258 3.766 1.303 1.00 0.00 C ATOM 975 O ASP A 68 75.344 3.624 2.092 1.00 0.00 O ATOM 976 CB ASP A 68 78.016 1.967 1.167 1.00 0.00 C ATOM 977 CG ASP A 68 79.150 2.992 1.210 1.00 0.00 C ATOM 978 OD1 ASP A 68 79.707 3.275 0.162 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.442 3.479 2.290 1.00 0.00 O ATOM 0 H ASP A 68 78.157 2.641 -1.155 1.00 0.00 H new ATOM 0 HA ASP A 68 75.976 1.869 0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 68 77.763 1.647 2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.335 1.079 0.622 1.00 0.00 H new ATOM 984 N ASP A 69 76.806 4.933 1.110 1.00 0.00 N ATOM 985 CA ASP A 69 76.309 6.116 1.865 1.00 0.00 C ATOM 986 C ASP A 69 74.889 6.455 1.409 1.00 0.00 C ATOM 987 O ASP A 69 73.998 6.656 2.210 1.00 0.00 O ATOM 988 CB ASP A 69 77.274 7.247 1.514 1.00 0.00 C ATOM 989 CG ASP A 69 78.583 7.060 2.282 1.00 0.00 C ATOM 990 OD1 ASP A 69 78.900 5.928 2.608 1.00 0.00 O ATOM 991 OD2 ASP A 69 79.247 8.053 2.532 1.00 0.00 O ATOM 0 H ASP A 69 77.574 5.118 0.465 1.00 0.00 H new ATOM 0 HA ASP A 69 76.270 5.942 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 69 77.468 7.254 0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 69 76.828 8.210 1.764 1.00 0.00 H new ATOM 996 N GLU A 70 74.673 6.515 0.123 1.00 0.00 N ATOM 997 CA GLU A 70 73.311 6.834 -0.388 1.00 0.00 C ATOM 998 C GLU A 70 72.326 5.740 0.020 1.00 0.00 C ATOM 999 O GLU A 70 71.259 6.014 0.528 1.00 0.00 O ATOM 1000 CB GLU A 70 73.457 6.893 -1.908 1.00 0.00 C ATOM 1001 CG GLU A 70 73.994 8.266 -2.316 1.00 0.00 C ATOM 1002 CD GLU A 70 73.962 8.396 -3.839 1.00 0.00 C ATOM 1003 OE1 GLU A 70 74.105 7.383 -4.504 1.00 0.00 O ATOM 1004 OE2 GLU A 70 73.793 9.506 -4.316 1.00 0.00 O ATOM 0 H GLU A 70 75.380 6.357 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 70 72.927 7.771 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.134 6.110 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.493 6.712 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 70 73.393 9.053 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 70 75.013 8.392 -1.951 1.00 0.00 H new ATOM 1011 N ALA A 71 72.675 4.501 -0.185 1.00 0.00 N ATOM 1012 CA ALA A 71 71.752 3.400 0.206 1.00 0.00 C ATOM 1013 C ALA A 71 71.633 3.363 1.729 1.00 0.00 C ATOM 1014 O ALA A 71 70.719 2.779 2.278 1.00 0.00 O ATOM 1015 CB ALA A 71 72.410 2.123 -0.319 1.00 0.00 C ATOM 0 H ALA A 71 73.556 4.204 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 71 70.747 3.524 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 71 71.788 1.264 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 71 72.520 2.189 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.392 2.005 0.139 1.00 0.00 H new ATOM 1021 N GLN A 72 72.544 4.000 2.415 1.00 0.00 N ATOM 1022 CA GLN A 72 72.476 4.021 3.901 1.00 0.00 C ATOM 1023 C GLN A 72 71.362 4.966 4.328 1.00 0.00 C ATOM 1024 O GLN A 72 70.543 4.647 5.166 1.00 0.00 O ATOM 1025 CB GLN A 72 73.838 4.539 4.362 1.00 0.00 C ATOM 1026 CG GLN A 72 74.591 3.417 5.076 1.00 0.00 C ATOM 1027 CD GLN A 72 74.590 3.676 6.584 1.00 0.00 C ATOM 1028 OE1 GLN A 72 73.658 3.313 7.274 1.00 0.00 O ATOM 1029 NE2 GLN A 72 75.605 4.290 7.129 1.00 0.00 N ATOM 0 H GLN A 72 73.331 4.506 2.009 1.00 0.00 H new ATOM 0 HA GLN A 72 72.264 3.043 4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.414 4.892 3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.709 5.389 5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 72 74.122 2.457 4.862 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.615 3.361 4.707 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.387 4.595 6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 72 75.616 4.465 8.134 1.00 0.00 H new ATOM 1038 N THR A 73 71.310 6.121 3.728 1.00 0.00 N ATOM 1039 CA THR A 73 70.228 7.080 4.067 1.00 0.00 C ATOM 1040 C THR A 73 68.919 6.543 3.497 1.00 0.00 C ATOM 1041 O THR A 73 67.847 6.794 4.013 1.00 0.00 O ATOM 1042 CB THR A 73 70.619 8.394 3.388 1.00 0.00 C ATOM 1043 OG1 THR A 73 72.026 8.426 3.192 1.00 0.00 O ATOM 1044 CG2 THR A 73 70.199 9.570 4.269 1.00 0.00 C ATOM 0 H THR A 73 71.970 6.441 3.019 1.00 0.00 H new ATOM 0 HA THR A 73 70.099 7.223 5.140 1.00 0.00 H new ATOM 0 HB THR A 73 70.116 8.467 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.276 9.267 2.755 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.478 10.506 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 73 69.119 9.546 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 73 70.700 9.498 5.235 1.00 0.00 H new ATOM 1052 N LEU A 74 69.008 5.781 2.437 1.00 0.00 N ATOM 1053 CA LEU A 74 67.780 5.198 1.833 1.00 0.00 C ATOM 1054 C LEU A 74 67.222 4.136 2.779 1.00 0.00 C ATOM 1055 O LEU A 74 66.026 3.976 2.913 1.00 0.00 O ATOM 1056 CB LEU A 74 68.237 4.574 0.512 1.00 0.00 C ATOM 1057 CG LEU A 74 68.678 5.684 -0.444 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.520 5.086 -1.572 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.441 6.360 -1.040 1.00 0.00 C ATOM 0 H LEU A 74 69.880 5.539 1.966 1.00 0.00 H new ATOM 0 HA LEU A 74 66.994 5.934 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.060 3.882 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.425 3.997 0.069 1.00 0.00 H new ATOM 0 HG LEU A 74 69.271 6.418 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.833 5.878 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.400 4.600 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.928 4.352 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.752 7.152 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.851 5.623 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 74 66.838 6.787 -0.239 1.00 0.00 H new ATOM 1071 N ALA A 75 68.085 3.425 3.456 1.00 0.00 N ATOM 1072 CA ALA A 75 67.606 2.393 4.417 1.00 0.00 C ATOM 1073 C ALA A 75 66.911 3.094 5.583 1.00 0.00 C ATOM 1074 O ALA A 75 65.766 2.828 5.892 1.00 0.00 O ATOM 1075 CB ALA A 75 68.865 1.668 4.892 1.00 0.00 C ATOM 0 H ALA A 75 69.098 3.515 3.384 1.00 0.00 H new ATOM 0 HA ALA A 75 66.895 1.695 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.590 0.891 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.368 1.215 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.536 2.380 5.372 1.00 0.00 H new ATOM 1081 N LYS A 76 67.592 4.013 6.217 1.00 0.00 N ATOM 1082 CA LYS A 76 66.966 4.755 7.345 1.00 0.00 C ATOM 1083 C LYS A 76 65.706 5.456 6.837 1.00 0.00 C ATOM 1084 O LYS A 76 64.787 5.730 7.581 1.00 0.00 O ATOM 1085 CB LYS A 76 68.014 5.781 7.780 1.00 0.00 C ATOM 1086 CG LYS A 76 69.296 5.059 8.195 1.00 0.00 C ATOM 1087 CD LYS A 76 69.967 5.828 9.335 1.00 0.00 C ATOM 1088 CE LYS A 76 71.455 6.006 9.027 1.00 0.00 C ATOM 1089 NZ LYS A 76 71.512 7.099 8.017 1.00 0.00 N ATOM 0 H LYS A 76 68.553 4.280 6.001 1.00 0.00 H new ATOM 0 HA LYS A 76 66.677 4.107 8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.222 6.472 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.633 6.375 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 76 69.067 4.042 8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 76 69.974 4.982 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 76 69.492 6.801 9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 76 69.841 5.289 10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 76 72.015 6.269 9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 76 71.890 5.086 8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 72.028 6.769 7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 70.546 7.371 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 72.002 7.922 8.423 1.00 0.00 H new ATOM 1103 N TRP A 77 65.661 5.735 5.562 1.00 0.00 N ATOM 1104 CA TRP A 77 64.464 6.405 4.985 1.00 0.00 C ATOM 1105 C TRP A 77 63.287 5.429 4.976 1.00 0.00 C ATOM 1106 O TRP A 77 62.176 5.778 5.318 1.00 0.00 O ATOM 1107 CB TRP A 77 64.871 6.778 3.560 1.00 0.00 C ATOM 1108 CG TRP A 77 63.712 7.405 2.855 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.111 8.560 3.222 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.008 6.935 1.670 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.082 8.828 2.336 1.00 0.00 N ATOM 1112 CE2 TRP A 77 61.980 7.857 1.362 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.162 5.811 0.840 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.133 7.669 0.270 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.311 5.620 -0.261 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.298 6.547 -0.545 1.00 0.00 C ATOM 0 H TRP A 77 66.404 5.527 4.895 1.00 0.00 H new ATOM 0 HA TRP A 77 64.152 7.280 5.555 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.714 7.469 3.581 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.200 5.890 3.021 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.388 9.172 4.067 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.473 9.644 2.396 1.00 0.00 H new ATOM 0 HE3 TRP A 77 63.939 5.091 1.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.355 8.386 0.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.438 4.753 -0.893 1.00 0.00 H new ATOM 0 HH2 TRP A 77 60.646 6.394 -1.393 1.00 0.00 H new ATOM 1127 N ILE A 78 63.524 4.201 4.596 1.00 0.00 N ATOM 1128 CA ILE A 78 62.419 3.202 4.579 1.00 0.00 C ATOM 1129 C ILE A 78 61.832 3.056 5.986 1.00 0.00 C ATOM 1130 O ILE A 78 60.636 3.143 6.182 1.00 0.00 O ATOM 1131 CB ILE A 78 63.070 1.888 4.133 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.329 1.920 2.622 1.00 0.00 C ATOM 1133 CG2 ILE A 78 62.138 0.719 4.460 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.699 1.310 2.323 1.00 0.00 C ATOM 0 H ILE A 78 64.433 3.849 4.298 1.00 0.00 H new ATOM 0 HA ILE A 78 61.606 3.495 3.915 1.00 0.00 H new ATOM 0 HB ILE A 78 64.016 1.763 4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.551 1.366 2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.290 2.947 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.601 -0.215 4.143 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.957 0.688 5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.191 0.851 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 78 64.881 1.334 1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.472 1.883 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.722 0.278 2.672 1.00 0.00 H new ATOM 1146 N LEU A 79 62.666 2.839 6.966 1.00 0.00 N ATOM 1147 CA LEU A 79 62.157 2.691 8.359 1.00 0.00 C ATOM 1148 C LEU A 79 61.730 4.052 8.909 1.00 0.00 C ATOM 1149 O LEU A 79 61.122 4.148 9.957 1.00 0.00 O ATOM 1150 CB LEU A 79 63.337 2.141 9.160 1.00 0.00 C ATOM 1151 CG LEU A 79 63.335 0.616 9.087 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.681 0.130 8.544 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.111 0.042 10.489 1.00 0.00 C ATOM 0 H LEU A 79 63.677 2.758 6.862 1.00 0.00 H new ATOM 0 HA LEU A 79 61.288 2.035 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.274 2.533 8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.269 2.466 10.198 1.00 0.00 H new ATOM 0 HG LEU A 79 62.536 0.283 8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 79 64.680 -0.959 8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 79 64.841 0.541 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.481 0.461 9.206 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.109 -1.047 10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 79 63.911 0.374 11.150 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.153 0.390 10.876 1.00 0.00 H new ATOM 1165 N SER A 80 62.047 5.106 8.209 1.00 0.00 N ATOM 1166 CA SER A 80 61.663 6.463 8.690 1.00 0.00 C ATOM 1167 C SER A 80 60.375 6.925 8.005 1.00 0.00 C ATOM 1168 O SER A 80 59.724 7.851 8.448 1.00 0.00 O ATOM 1169 CB SER A 80 62.833 7.364 8.297 1.00 0.00 C ATOM 1170 OG SER A 80 62.523 8.710 8.630 1.00 0.00 O ATOM 0 H SER A 80 62.555 5.086 7.325 1.00 0.00 H new ATOM 0 HA SER A 80 61.473 6.483 9.763 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.739 7.049 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 80 63.030 7.278 7.228 1.00 0.00 H new ATOM 0 HG SER A 80 63.273 9.290 8.380 1.00 0.00 H new