USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 345 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 16 GLN : amide:sc= -2.03 K(o=-3.3,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -173:sc= -1.26 (180deg=-0.323) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.156 (180deg=-0.688) USER MOD Single : A 5 THR OG1 : rot -9:sc= 0.321 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 70:sc= 1.03 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 73:sc= 0.301 USER MOD Single : A 42 MET CE :methyl 167:sc=-0.00759 (180deg=-0.252) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.429 -51.385 97.372 1.00 0.00 N ATOM 2 CA GLY A 1 1.722 -52.649 97.415 1.00 0.00 C ATOM 3 C GLY A 1 0.707 -52.715 96.285 1.00 0.00 C ATOM 4 O GLY A 1 0.577 -51.780 95.498 1.00 0.00 O ATOM 0 H1 GLY A 1 3.452 -51.561 97.316 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.124 -50.845 96.537 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.218 -50.840 98.232 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.429 -53.474 97.328 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.218 -52.761 98.375 1.00 0.00 H new ATOM 8 N VAL A 2 -0.008 -53.835 96.220 1.00 0.00 N ATOM 9 CA VAL A 2 -1.023 -54.053 95.194 1.00 0.00 C ATOM 10 C VAL A 2 -2.219 -53.144 95.425 1.00 0.00 C ATOM 11 O VAL A 2 -2.749 -52.541 94.493 1.00 0.00 O ATOM 12 CB VAL A 2 -1.527 -55.508 95.199 1.00 0.00 C ATOM 13 CG1 VAL A 2 -2.710 -55.665 94.255 1.00 0.00 C ATOM 14 CG2 VAL A 2 -0.425 -56.455 94.751 1.00 0.00 C ATOM 0 H VAL A 2 0.099 -54.612 96.872 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.555 -53.832 94.235 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.831 -55.751 96.217 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.053 -56.699 94.271 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.520 -55.009 94.574 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.405 -55.399 93.243 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.799 -57.479 94.761 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.109 -56.194 93.741 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.424 -56.372 95.430 1.00 0.00 H new ATOM 24 N ILE A 3 -2.638 -53.055 96.684 1.00 0.00 N ATOM 25 CA ILE A 3 -3.774 -52.223 97.071 1.00 0.00 C ATOM 26 C ILE A 3 -3.452 -50.753 96.863 1.00 0.00 C ATOM 27 O ILE A 3 -4.294 -49.974 96.419 1.00 0.00 O ATOM 28 CB ILE A 3 -4.140 -52.422 98.553 1.00 0.00 C ATOM 29 CG1 ILE A 3 -4.673 -53.837 98.785 1.00 0.00 C ATOM 30 CG2 ILE A 3 -5.212 -51.428 98.976 1.00 0.00 C ATOM 31 CD1 ILE A 3 -4.826 -54.201 100.246 1.00 0.00 C ATOM 0 H ILE A 3 -2.203 -53.554 97.460 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.614 -52.523 96.445 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.237 -52.264 99.143 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.640 -53.936 98.292 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.999 -54.551 98.311 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.458 -51.583 100.026 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.842 -50.412 98.837 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.105 -51.575 98.368 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.208 -55.218 100.329 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.857 -54.136 100.741 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.523 -53.511 100.722 1.00 0.00 H new ATOM 43 N ASP A 4 -2.217 -50.383 97.191 1.00 0.00 N ATOM 44 CA ASP A 4 -1.753 -49.006 97.051 1.00 0.00 C ATOM 45 C ASP A 4 -2.025 -48.493 95.646 1.00 0.00 C ATOM 46 O ASP A 4 -2.429 -47.347 95.455 1.00 0.00 O ATOM 47 CB ASP A 4 -0.249 -48.918 97.315 1.00 0.00 C ATOM 48 CG ASP A 4 0.098 -49.113 98.778 1.00 0.00 C ATOM 49 OD1 ASP A 4 1.278 -48.917 99.140 1.00 0.00 O ATOM 50 OD2 ASP A 4 -0.809 -49.463 99.562 1.00 0.00 O ATOM 0 H ASP A 4 -1.514 -51.024 97.559 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.292 -48.398 97.778 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.265 -49.672 96.720 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.118 -47.946 96.985 1.00 0.00 H new ATOM 56 N THR A 5 -1.798 -49.360 94.663 1.00 0.00 N ATOM 57 CA THR A 5 -2.010 -49.021 93.259 1.00 0.00 C ATOM 58 C THR A 5 -3.393 -49.465 92.808 1.00 0.00 C ATOM 59 O THR A 5 -3.786 -49.255 91.662 1.00 0.00 O ATOM 60 CB THR A 5 -0.972 -49.706 92.350 1.00 0.00 C ATOM 61 OG1 THR A 5 -1.097 -51.129 92.465 1.00 0.00 O ATOM 62 CG2 THR A 5 0.438 -49.301 92.752 1.00 0.00 C ATOM 0 H THR A 5 -1.464 -50.312 94.816 1.00 0.00 H new ATOM 0 HA THR A 5 -1.909 -47.939 93.175 1.00 0.00 H new ATOM 0 HB THR A 5 -1.155 -49.396 91.321 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.708 -51.345 93.200 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.158 -49.794 92.099 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.546 -48.220 92.661 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.621 -49.598 93.785 1.00 0.00 H new ATOM 70 N SER A 6 -4.127 -50.083 93.729 1.00 0.00 N ATOM 71 CA SER A 6 -5.474 -50.571 93.453 1.00 0.00 C ATOM 72 C SER A 6 -6.306 -49.489 92.781 1.00 0.00 C ATOM 73 O SER A 6 -6.791 -49.661 91.664 1.00 0.00 O ATOM 74 CB SER A 6 -6.172 -50.981 94.751 1.00 0.00 C ATOM 75 OG SER A 6 -7.485 -51.448 94.499 1.00 0.00 O ATOM 0 H SER A 6 -3.807 -50.259 94.682 1.00 0.00 H new ATOM 0 HA SER A 6 -5.385 -51.433 92.792 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.594 -51.761 95.247 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.210 -50.130 95.432 1.00 0.00 H new ATOM 0 HG SER A 6 -7.909 -51.705 95.344 1.00 0.00 H new ATOM 81 N ALA A 7 -6.463 -48.369 93.480 1.00 0.00 N ATOM 82 CA ALA A 7 -7.233 -47.236 92.974 1.00 0.00 C ATOM 83 C ALA A 7 -6.631 -46.719 91.677 1.00 0.00 C ATOM 84 O ALA A 7 -7.344 -46.389 90.731 1.00 0.00 O ATOM 85 CB ALA A 7 -7.237 -46.103 93.988 1.00 0.00 C ATOM 0 H ALA A 7 -6.063 -48.221 94.407 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.252 -47.579 92.796 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.815 -45.266 93.596 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.686 -46.449 94.919 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.213 -45.780 94.177 1.00 0.00 H new ATOM 91 N VAL A 8 -5.303 -46.654 91.646 1.00 0.00 N ATOM 92 CA VAL A 8 -4.572 -46.181 90.474 1.00 0.00 C ATOM 93 C VAL A 8 -4.816 -47.099 89.288 1.00 0.00 C ATOM 94 O VAL A 8 -5.003 -46.645 88.160 1.00 0.00 O ATOM 95 CB VAL A 8 -3.055 -46.138 90.735 1.00 0.00 C ATOM 96 CG1 VAL A 8 -2.301 -45.846 89.446 1.00 0.00 C ATOM 97 CG2 VAL A 8 -2.719 -45.051 91.745 1.00 0.00 C ATOM 0 H VAL A 8 -4.706 -46.926 92.427 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.934 -45.175 90.260 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.757 -47.111 91.126 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.230 -45.819 89.649 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.513 -46.627 88.716 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.619 -44.882 89.049 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.643 -45.035 91.918 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.039 -44.083 91.358 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.234 -45.255 92.684 1.00 0.00 H new ATOM 107 N GLU A 9 -4.813 -48.401 89.558 1.00 0.00 N ATOM 108 CA GLU A 9 -5.033 -49.413 88.528 1.00 0.00 C ATOM 109 C GLU A 9 -6.364 -49.182 87.831 1.00 0.00 C ATOM 110 O GLU A 9 -6.483 -49.346 86.618 1.00 0.00 O ATOM 111 CB GLU A 9 -5.047 -50.812 89.146 1.00 0.00 C ATOM 112 CG GLU A 9 -5.202 -51.936 88.135 1.00 0.00 C ATOM 113 CD GLU A 9 -5.160 -53.309 88.777 1.00 0.00 C ATOM 114 OE1 GLU A 9 -5.013 -53.380 90.016 1.00 0.00 O ATOM 115 OE2 GLU A 9 -5.276 -54.312 88.043 1.00 0.00 O ATOM 0 H GLU A 9 -4.659 -48.783 90.491 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.219 -49.336 87.807 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.121 -50.962 89.700 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.863 -50.871 89.867 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.147 -51.815 87.606 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.409 -51.863 87.391 1.00 0.00 H new ATOM 123 N SER A 10 -7.365 -48.798 88.617 1.00 0.00 N ATOM 124 CA SER A 10 -8.705 -48.536 88.101 1.00 0.00 C ATOM 125 C SER A 10 -8.782 -47.142 87.500 1.00 0.00 C ATOM 126 O SER A 10 -9.279 -46.954 86.391 1.00 0.00 O ATOM 127 CB SER A 10 -9.740 -48.636 89.223 1.00 0.00 C ATOM 128 OG SER A 10 -9.797 -49.951 89.749 1.00 0.00 O ATOM 0 H SER A 10 -7.272 -48.660 89.623 1.00 0.00 H new ATOM 0 HA SER A 10 -8.917 -49.281 87.334 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.488 -47.934 90.018 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.721 -48.350 88.844 1.00 0.00 H new ATOM 0 HG SER A 10 -10.465 -49.988 90.466 1.00 0.00 H new ATOM 134 N ALA A 11 -8.280 -46.165 88.251 1.00 0.00 N ATOM 135 CA ALA A 11 -8.278 -44.771 87.816 1.00 0.00 C ATOM 136 C ALA A 11 -7.358 -44.588 86.620 1.00 0.00 C ATOM 137 O ALA A 11 -7.664 -43.842 85.691 1.00 0.00 O ATOM 138 CB ALA A 11 -7.795 -43.866 88.939 1.00 0.00 C ATOM 0 H ALA A 11 -7.866 -46.315 89.171 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.299 -44.506 87.540 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.799 -42.830 88.599 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.457 -43.968 89.799 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.782 -44.150 89.225 1.00 0.00 H new ATOM 144 N ILE A 12 -6.224 -45.280 86.656 1.00 0.00 N ATOM 145 CA ILE A 12 -5.235 -45.214 85.585 1.00 0.00 C ATOM 146 C ILE A 12 -5.787 -45.834 84.312 1.00 0.00 C ATOM 147 O ILE A 12 -5.659 -45.274 83.224 1.00 0.00 O ATOM 148 CB ILE A 12 -3.946 -45.970 85.959 1.00 0.00 C ATOM 149 CG1 ILE A 12 -3.232 -45.266 87.115 1.00 0.00 C ATOM 150 CG2 ILE A 12 -2.999 -46.028 84.771 1.00 0.00 C ATOM 151 CD1 ILE A 12 -2.813 -43.846 86.800 1.00 0.00 C ATOM 0 H ILE A 12 -5.965 -45.899 87.424 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.007 -44.160 85.430 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.226 -46.981 86.257 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.890 -45.257 87.984 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.349 -45.843 87.390 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.094 -46.566 85.053 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.485 -46.545 83.943 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.739 -45.015 84.464 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.314 -43.413 87.667 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.129 -43.848 85.951 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.694 -43.253 86.555 1.00 0.00 H new ATOM 163 N THR A 13 -6.404 -47.003 84.463 1.00 0.00 N ATOM 164 CA THR A 13 -6.989 -47.727 83.338 1.00 0.00 C ATOM 165 C THR A 13 -8.135 -46.934 82.732 1.00 0.00 C ATOM 166 O THR A 13 -8.275 -46.849 81.513 1.00 0.00 O ATOM 167 CB THR A 13 -7.540 -49.097 83.774 1.00 0.00 C ATOM 168 OG1 THR A 13 -6.472 -49.906 84.281 1.00 0.00 O ATOM 169 CG2 THR A 13 -8.183 -49.812 82.595 1.00 0.00 C ATOM 0 H THR A 13 -6.512 -47.472 85.362 1.00 0.00 H new ATOM 0 HA THR A 13 -6.194 -47.870 82.606 1.00 0.00 H new ATOM 0 HB THR A 13 -8.289 -48.937 84.549 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.165 -49.543 85.138 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.567 -50.779 82.921 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.003 -49.208 82.206 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.440 -49.962 81.812 1.00 0.00 H new ATOM 177 N ASP A 14 -8.957 -46.354 83.603 1.00 0.00 N ATOM 178 CA ASP A 14 -10.105 -45.559 83.181 1.00 0.00 C ATOM 179 C ASP A 14 -9.646 -44.270 82.520 1.00 0.00 C ATOM 180 O ASP A 14 -10.092 -43.921 81.428 1.00 0.00 O ATOM 181 CB ASP A 14 -10.980 -45.200 84.384 1.00 0.00 C ATOM 182 CG ASP A 14 -11.732 -46.396 84.934 1.00 0.00 C ATOM 183 OD1 ASP A 14 -12.582 -46.203 85.829 1.00 0.00 O ATOM 184 OD2 ASP A 14 -11.472 -47.526 84.470 1.00 0.00 O ATOM 0 H ASP A 14 -8.847 -46.422 84.615 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.678 -46.155 82.471 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.355 -44.776 85.170 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.693 -44.429 84.093 1.00 0.00 H new ATOM 190 N GLY A 15 -8.745 -43.565 83.198 1.00 0.00 N ATOM 191 CA GLY A 15 -8.203 -42.305 82.698 1.00 0.00 C ATOM 192 C GLY A 15 -7.066 -42.563 81.723 1.00 0.00 C ATOM 193 O GLY A 15 -7.181 -42.300 80.527 1.00 0.00 O ATOM 0 H GLY A 15 -8.372 -43.848 84.104 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.990 -41.734 82.205 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.845 -41.700 83.531 1.00 0.00 H new ATOM 197 N GLN A 16 -5.962 -43.084 82.252 1.00 0.00 N ATOM 198 CA GLN A 16 -4.782 -43.391 81.450 1.00 0.00 C ATOM 199 C GLN A 16 -5.172 -44.180 80.210 1.00 0.00 C ATOM 200 O GLN A 16 -4.853 -43.796 79.086 1.00 0.00 O ATOM 201 CB GLN A 16 -3.786 -44.223 82.260 1.00 0.00 C ATOM 202 CG GLN A 16 -2.503 -44.554 81.514 1.00 0.00 C ATOM 203 CD GLN A 16 -1.685 -43.320 81.186 1.00 0.00 C ATOM 204 OE1 GLN A 16 -1.345 -42.536 82.072 1.00 0.00 O ATOM 205 NE2 GLN A 16 -1.367 -43.145 79.909 1.00 0.00 N ATOM 0 H GLN A 16 -5.861 -43.304 83.243 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.323 -42.446 81.158 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.534 -43.682 83.172 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.267 -45.153 82.563 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.902 -45.234 82.117 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.749 -45.079 80.591 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.672 -43.823 79.210 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.818 -42.333 79.627 1.00 0.00 H new ATOM 214 N GLY A 17 -5.868 -45.291 80.432 1.00 0.00 N ATOM 215 CA GLY A 17 -6.317 -46.159 79.347 1.00 0.00 C ATOM 216 C GLY A 17 -7.045 -45.350 78.285 1.00 0.00 C ATOM 217 O GLY A 17 -6.788 -45.492 77.091 1.00 0.00 O ATOM 0 H GLY A 17 -6.135 -45.614 81.362 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.462 -46.668 78.902 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.978 -46.931 79.741 1.00 0.00 H new ATOM 221 N ASP A 18 -7.960 -44.498 78.738 1.00 0.00 N ATOM 222 CA ASP A 18 -8.745 -43.649 77.846 1.00 0.00 C ATOM 223 C ASP A 18 -7.830 -42.812 76.967 1.00 0.00 C ATOM 224 O ASP A 18 -8.261 -42.228 75.974 1.00 0.00 O ATOM 225 CB ASP A 18 -9.637 -42.704 78.653 1.00 0.00 C ATOM 226 CG ASP A 18 -10.774 -43.428 79.348 1.00 0.00 C ATOM 227 OD1 ASP A 18 -11.889 -42.868 79.403 1.00 0.00 O ATOM 228 OD2 ASP A 18 -10.550 -44.555 79.836 1.00 0.00 O ATOM 0 H ASP A 18 -8.178 -44.376 79.727 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.361 -44.299 77.225 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.032 -42.186 79.397 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.047 -41.943 77.990 1.00 0.00 H new ATOM 234 N MET A 19 -6.557 -42.761 77.346 1.00 0.00 N ATOM 235 CA MET A 19 -5.552 -42.001 76.609 1.00 0.00 C ATOM 236 C MET A 19 -5.357 -42.584 75.219 1.00 0.00 C ATOM 237 O MET A 19 -5.253 -41.856 74.233 1.00 0.00 O ATOM 238 CB MET A 19 -4.209 -42.038 77.341 1.00 0.00 C ATOM 239 CG MET A 19 -3.122 -41.200 76.687 1.00 0.00 C ATOM 240 SD MET A 19 -1.562 -41.259 77.588 1.00 0.00 S ATOM 241 CE MET A 19 -1.989 -40.343 79.066 1.00 0.00 C ATOM 0 H MET A 19 -6.194 -43.243 78.168 1.00 0.00 H new ATOM 0 HA MET A 19 -5.904 -40.972 76.533 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.355 -41.690 78.364 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.869 -43.072 77.402 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.962 -41.551 75.668 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.458 -40.165 76.618 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.094 -40.185 79.668 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.413 -39.379 78.787 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.720 -40.907 79.645 1.00 0.00 H new ATOM 251 N LYS A 20 -5.309 -43.911 75.154 1.00 0.00 N ATOM 252 CA LYS A 20 -5.126 -44.624 73.893 1.00 0.00 C ATOM 253 C LYS A 20 -6.227 -44.257 72.910 1.00 0.00 C ATOM 254 O LYS A 20 -5.978 -44.054 71.723 1.00 0.00 O ATOM 255 CB LYS A 20 -5.166 -46.136 74.122 1.00 0.00 C ATOM 256 CG LYS A 20 -4.921 -46.960 72.868 1.00 0.00 C ATOM 257 CD LYS A 20 -4.918 -48.449 73.178 1.00 0.00 C ATOM 258 CE LYS A 20 -4.688 -49.273 71.922 1.00 0.00 C ATOM 259 NZ LYS A 20 -4.671 -50.734 72.212 1.00 0.00 N ATOM 0 H LYS A 20 -5.395 -44.520 75.968 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.156 -44.337 73.486 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.417 -46.400 74.869 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.138 -46.404 74.536 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.693 -46.741 72.130 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.966 -46.677 72.425 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.139 -48.669 73.908 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.868 -48.730 73.631 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.472 -49.056 71.197 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.742 -48.982 71.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.512 -51.261 71.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.907 -50.946 72.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.583 -51.017 72.624 1.00 0.00 H new ATOM 273 N ALA A 21 -7.451 -44.173 73.423 1.00 0.00 N ATOM 274 CA ALA A 21 -8.616 -43.831 72.611 1.00 0.00 C ATOM 275 C ALA A 21 -8.538 -42.384 72.153 1.00 0.00 C ATOM 276 O ALA A 21 -8.847 -42.062 71.007 1.00 0.00 O ATOM 277 CB ALA A 21 -9.894 -44.015 73.414 1.00 0.00 C ATOM 0 H ALA A 21 -7.663 -44.339 74.407 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.625 -44.492 71.744 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.753 -43.756 72.795 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.977 -45.054 73.733 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.870 -43.367 74.290 1.00 0.00 H new ATOM 283 N ILE A 22 -8.120 -41.513 73.068 1.00 0.00 N ATOM 284 CA ILE A 22 -7.992 -40.086 72.785 1.00 0.00 C ATOM 285 C ILE A 22 -6.930 -39.848 71.723 1.00 0.00 C ATOM 286 O ILE A 22 -7.157 -39.135 70.747 1.00 0.00 O ATOM 287 CB ILE A 22 -7.590 -39.295 74.043 1.00 0.00 C ATOM 288 CG1 ILE A 22 -8.722 -39.316 75.072 1.00 0.00 C ATOM 289 CG2 ILE A 22 -7.288 -37.847 73.689 1.00 0.00 C ATOM 290 CD1 ILE A 22 -8.325 -38.777 76.429 1.00 0.00 C ATOM 0 H ILE A 22 -7.862 -41.774 74.020 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.966 -39.743 72.436 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.700 -39.766 74.461 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.559 -38.731 74.690 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.076 -40.340 75.188 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.006 -37.303 74.591 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.468 -37.811 72.972 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.174 -37.387 73.250 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.180 -38.825 77.104 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.509 -39.376 76.834 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.999 -37.742 76.328 1.00 0.00 H new ATOM 302 N GLY A 23 -5.766 -40.456 71.927 1.00 0.00 N ATOM 303 CA GLY A 23 -4.645 -40.328 70.999 1.00 0.00 C ATOM 304 C GLY A 23 -4.979 -40.983 69.668 1.00 0.00 C ATOM 305 O GLY A 23 -4.713 -40.429 68.602 1.00 0.00 O ATOM 0 H GLY A 23 -5.572 -41.048 72.735 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.412 -39.275 70.844 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.756 -40.792 71.427 1.00 0.00 H new ATOM 309 N GLY A 24 -5.567 -42.173 69.745 1.00 0.00 N ATOM 310 CA GLY A 24 -5.950 -42.931 68.558 1.00 0.00 C ATOM 311 C GLY A 24 -7.079 -42.230 67.819 1.00 0.00 C ATOM 312 O GLY A 24 -6.980 -41.949 66.626 1.00 0.00 O ATOM 0 H GLY A 24 -5.790 -42.637 70.626 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.090 -43.043 67.898 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.264 -43.934 68.846 1.00 0.00 H new ATOM 316 N TYR A 25 -8.156 -41.950 68.547 1.00 0.00 N ATOM 317 CA TYR A 25 -9.324 -41.280 67.985 1.00 0.00 C ATOM 318 C TYR A 25 -8.926 -39.955 67.356 1.00 0.00 C ATOM 319 O TYR A 25 -9.426 -39.578 66.297 1.00 0.00 O ATOM 320 CB TYR A 25 -10.361 -41.005 69.076 1.00 0.00 C ATOM 321 CG TYR A 25 -11.601 -40.298 68.579 1.00 0.00 C ATOM 322 CD1 TYR A 25 -12.590 -40.992 67.894 1.00 0.00 C ATOM 323 CD2 TYR A 25 -11.778 -38.937 68.795 1.00 0.00 C ATOM 324 CE1 TYR A 25 -13.727 -40.354 67.436 1.00 0.00 C ATOM 325 CE2 TYR A 25 -12.908 -38.282 68.344 1.00 0.00 C ATOM 326 CZ TYR A 25 -13.886 -39.003 67.660 1.00 0.00 C ATOM 327 OH TYR A 25 -15.017 -38.365 67.204 1.00 0.00 O ATOM 0 H TYR A 25 -8.244 -42.179 69.537 1.00 0.00 H new ATOM 0 HA TYR A 25 -9.750 -41.937 67.227 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.653 -41.951 69.533 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.900 -40.402 69.858 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.468 -42.050 67.716 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.019 -38.381 69.325 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -14.486 -40.910 66.906 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.032 -37.224 68.519 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.976 -37.416 67.444 1.00 0.00 H new ATOM 337 N ILE A 26 -8.017 -39.252 68.024 1.00 0.00 N ATOM 338 CA ILE A 26 -7.529 -37.959 67.552 1.00 0.00 C ATOM 339 C ILE A 26 -6.576 -38.145 66.382 1.00 0.00 C ATOM 340 O ILE A 26 -6.660 -37.443 65.376 1.00 0.00 O ATOM 341 CB ILE A 26 -6.776 -37.201 68.661 1.00 0.00 C ATOM 342 CG1 ILE A 26 -7.737 -36.804 69.783 1.00 0.00 C ATOM 343 CG2 ILE A 26 -6.137 -35.938 68.104 1.00 0.00 C ATOM 344 CD1 ILE A 26 -7.045 -36.276 71.021 1.00 0.00 C ATOM 0 H ILE A 26 -7.599 -39.559 68.902 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.402 -37.383 67.246 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.004 -37.863 69.052 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.423 -36.044 69.409 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.339 -37.670 70.056 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.609 -35.415 68.902 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.432 -36.204 67.316 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.911 -35.289 67.695 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.791 -36.016 71.772 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.380 -37.042 71.421 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.465 -35.390 70.764 1.00 0.00 H new ATOM 356 N VAL A 27 -5.667 -39.104 66.528 1.00 0.00 N ATOM 357 CA VAL A 27 -4.680 -39.408 65.495 1.00 0.00 C ATOM 358 C VAL A 27 -5.329 -40.160 64.344 1.00 0.00 C ATOM 359 O VAL A 27 -4.914 -40.040 63.192 1.00 0.00 O ATOM 360 CB VAL A 27 -3.537 -40.280 66.046 1.00 0.00 C ATOM 361 CG1 VAL A 27 -2.622 -40.734 64.919 1.00 0.00 C ATOM 362 CG2 VAL A 27 -2.707 -39.498 67.053 1.00 0.00 C ATOM 0 H VAL A 27 -5.593 -39.690 67.360 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.278 -38.455 65.151 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.986 -41.147 66.531 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.820 -41.349 65.327 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.195 -41.316 64.197 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.194 -39.862 64.424 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.904 -40.130 67.432 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.280 -38.620 66.569 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.342 -39.183 67.881 1.00 0.00 H new ATOM 372 N GLY A 28 -6.355 -40.939 64.672 1.00 0.00 N ATOM 373 CA GLY A 28 -7.083 -41.727 63.683 1.00 0.00 C ATOM 374 C GLY A 28 -7.992 -40.833 62.855 1.00 0.00 C ATOM 375 O GLY A 28 -8.358 -41.165 61.729 1.00 0.00 O ATOM 0 H GLY A 28 -6.704 -41.042 65.625 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.379 -42.243 63.031 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.675 -42.493 64.184 1.00 0.00 H new ATOM 379 N ALA A 29 -8.353 -39.689 63.431 1.00 0.00 N ATOM 380 CA ALA A 29 -9.222 -38.722 62.769 1.00 0.00 C ATOM 381 C ALA A 29 -8.411 -37.808 61.864 1.00 0.00 C ATOM 382 O ALA A 29 -8.881 -37.367 60.817 1.00 0.00 O ATOM 383 CB ALA A 29 -9.942 -37.865 63.798 1.00 0.00 C ATOM 0 H ALA A 29 -8.053 -39.408 64.364 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.948 -39.278 62.176 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.586 -37.149 63.288 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.547 -38.502 64.443 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.210 -37.329 64.401 1.00 0.00 H new ATOM 389 N LEU A 30 -7.180 -37.530 62.285 1.00 0.00 N ATOM 390 CA LEU A 30 -6.274 -36.668 61.530 1.00 0.00 C ATOM 391 C LEU A 30 -6.104 -37.187 60.112 1.00 0.00 C ATOM 392 O LEU A 30 -5.891 -36.420 59.175 1.00 0.00 O ATOM 393 CB LEU A 30 -4.898 -36.623 62.197 1.00 0.00 C ATOM 394 CG LEU A 30 -4.814 -35.877 63.530 1.00 0.00 C ATOM 395 CD1 LEU A 30 -3.428 -36.019 64.140 1.00 0.00 C ATOM 396 CD2 LEU A 30 -5.099 -34.396 63.337 1.00 0.00 C ATOM 0 H LEU A 30 -6.784 -37.893 63.152 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.707 -35.668 61.508 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.562 -37.647 62.357 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.196 -36.162 61.502 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.559 -36.315 64.195 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.390 -35.481 65.087 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.213 -37.073 64.313 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.686 -35.604 63.458 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.034 -33.885 64.297 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.367 -33.971 62.650 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.100 -34.269 62.925 1.00 0.00 H new ATOM 408 N VAL A 31 -6.200 -38.506 59.967 1.00 0.00 N ATOM 409 CA VAL A 31 -6.060 -39.161 58.669 1.00 0.00 C ATOM 410 C VAL A 31 -7.038 -38.570 57.667 1.00 0.00 C ATOM 411 O VAL A 31 -6.736 -38.447 56.481 1.00 0.00 O ATOM 412 CB VAL A 31 -6.337 -40.673 58.767 1.00 0.00 C ATOM 413 CG1 VAL A 31 -6.412 -41.291 57.379 1.00 0.00 C ATOM 414 CG2 VAL A 31 -5.231 -41.368 59.545 1.00 0.00 C ATOM 0 H VAL A 31 -6.376 -39.148 60.740 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.033 -39.000 58.342 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.289 -40.804 59.282 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.608 -42.360 57.467 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.216 -40.820 56.814 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.466 -41.137 56.861 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.443 -42.435 59.604 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.278 -41.215 59.038 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.177 -40.952 60.551 1.00 0.00 H new ATOM 424 N ILE A 32 -8.217 -38.203 58.161 1.00 0.00 N ATOM 425 CA ILE A 32 -9.265 -37.619 57.328 1.00 0.00 C ATOM 426 C ILE A 32 -8.825 -36.267 56.790 1.00 0.00 C ATOM 427 O ILE A 32 -9.043 -35.945 55.623 1.00 0.00 O ATOM 428 CB ILE A 32 -10.568 -37.411 58.123 1.00 0.00 C ATOM 429 CG1 ILE A 32 -11.173 -38.760 58.517 1.00 0.00 C ATOM 430 CG2 ILE A 32 -11.586 -36.652 57.287 1.00 0.00 C ATOM 431 CD1 ILE A 32 -12.314 -38.653 59.505 1.00 0.00 C ATOM 0 H ILE A 32 -8.472 -38.301 59.144 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.445 -38.316 56.510 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.325 -36.838 59.018 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.529 -39.264 57.619 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.391 -39.387 58.946 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.500 -36.514 57.864 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.179 -35.679 57.014 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.810 -37.219 56.383 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.690 -39.650 59.736 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.960 -38.178 60.420 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.115 -38.054 59.072 1.00 0.00 H new ATOM 443 N LEU A 33 -8.200 -35.479 57.660 1.00 0.00 N ATOM 444 CA LEU A 33 -7.716 -34.149 57.299 1.00 0.00 C ATOM 445 C LEU A 33 -6.662 -34.245 56.208 1.00 0.00 C ATOM 446 O LEU A 33 -6.715 -33.530 55.208 1.00 0.00 O ATOM 447 CB LEU A 33 -7.094 -33.457 58.514 1.00 0.00 C ATOM 448 CG LEU A 33 -8.065 -32.993 59.601 1.00 0.00 C ATOM 449 CD1 LEU A 33 -7.307 -32.442 60.799 1.00 0.00 C ATOM 450 CD2 LEU A 33 -8.980 -31.899 59.073 1.00 0.00 C ATOM 0 H LEU A 33 -8.015 -35.741 58.628 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.568 -33.571 56.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.376 -34.141 58.966 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.533 -32.591 58.164 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.656 -33.858 59.901 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.016 -32.118 61.560 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.663 -33.219 61.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.698 -31.594 60.486 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.663 -31.583 59.862 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.381 -31.048 58.750 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.554 -32.281 58.228 1.00 0.00 H new ATOM 462 N ALA A 34 -5.702 -35.141 56.414 1.00 0.00 N ATOM 463 CA ALA A 34 -4.616 -35.354 55.460 1.00 0.00 C ATOM 464 C ALA A 34 -5.171 -35.763 54.105 1.00 0.00 C ATOM 465 O ALA A 34 -4.699 -35.312 53.062 1.00 0.00 O ATOM 466 CB ALA A 34 -3.686 -36.453 55.952 1.00 0.00 C ATOM 0 H ALA A 34 -5.653 -35.737 57.240 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.066 -34.418 55.366 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.882 -36.600 55.230 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.262 -36.167 56.914 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.247 -37.381 56.064 1.00 0.00 H new ATOM 472 N VAL A 35 -6.182 -36.626 54.134 1.00 0.00 N ATOM 473 CA VAL A 35 -6.825 -37.116 52.918 1.00 0.00 C ATOM 474 C VAL A 35 -7.328 -35.954 52.077 1.00 0.00 C ATOM 475 O VAL A 35 -7.165 -35.934 50.858 1.00 0.00 O ATOM 476 CB VAL A 35 -8.028 -38.022 53.241 1.00 0.00 C ATOM 477 CG1 VAL A 35 -8.804 -38.349 51.975 1.00 0.00 C ATOM 478 CG2 VAL A 35 -7.558 -39.326 53.868 1.00 0.00 C ATOM 0 H VAL A 35 -6.577 -37.004 54.995 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.075 -37.688 52.372 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.670 -37.486 53.939 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.650 -38.990 52.222 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.168 -37.426 51.523 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.151 -38.866 51.271 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.420 -39.955 54.090 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.899 -39.847 53.174 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.018 -39.112 54.790 1.00 0.00 H new ATOM 488 N ALA A 36 -7.943 -34.984 52.747 1.00 0.00 N ATOM 489 CA ALA A 36 -8.483 -33.800 52.085 1.00 0.00 C ATOM 490 C ALA A 36 -7.364 -32.976 51.471 1.00 0.00 C ATOM 491 O ALA A 36 -7.450 -32.541 50.323 1.00 0.00 O ATOM 492 CB ALA A 36 -9.231 -32.929 53.083 1.00 0.00 C ATOM 0 H ALA A 36 -8.081 -34.995 53.758 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.164 -34.137 51.303 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.627 -32.051 52.574 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.053 -33.498 53.518 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.550 -32.614 53.873 1.00 0.00 H new ATOM 498 N GLY A 37 -6.309 -32.766 52.253 1.00 0.00 N ATOM 499 CA GLY A 37 -5.152 -31.994 51.812 1.00 0.00 C ATOM 500 C GLY A 37 -4.674 -32.481 50.453 1.00 0.00 C ATOM 501 O GLY A 37 -4.645 -31.727 49.481 1.00 0.00 O ATOM 0 H GLY A 37 -6.232 -33.124 53.205 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.413 -30.937 51.755 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.347 -32.085 52.541 1.00 0.00 H new ATOM 505 N LEU A 38 -4.299 -33.755 50.399 1.00 0.00 N ATOM 506 CA LEU A 38 -3.816 -34.375 49.168 1.00 0.00 C ATOM 507 C LEU A 38 -4.884 -34.318 48.089 1.00 0.00 C ATOM 508 O LEU A 38 -4.593 -34.082 46.918 1.00 0.00 O ATOM 509 CB LEU A 38 -3.454 -35.841 49.413 1.00 0.00 C ATOM 510 CG LEU A 38 -2.202 -36.099 50.254 1.00 0.00 C ATOM 511 CD1 LEU A 38 -2.033 -37.586 50.524 1.00 0.00 C ATOM 512 CD2 LEU A 38 -0.958 -35.602 49.532 1.00 0.00 C ATOM 0 H LEU A 38 -4.321 -34.384 51.201 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.933 -33.825 48.844 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.300 -36.325 49.901 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.323 -36.327 48.446 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.325 -35.563 51.195 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.137 -37.747 51.123 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.903 -37.959 51.064 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.938 -38.119 49.578 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.079 -35.795 50.147 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.857 -36.124 48.580 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.046 -34.531 49.351 1.00 0.00 H new ATOM 524 N ILE A 39 -6.129 -34.537 48.500 1.00 0.00 N ATOM 525 CA ILE A 39 -7.268 -34.515 47.587 1.00 0.00 C ATOM 526 C ILE A 39 -7.369 -33.169 46.892 1.00 0.00 C ATOM 527 O ILE A 39 -7.589 -33.090 45.684 1.00 0.00 O ATOM 528 CB ILE A 39 -8.593 -34.763 48.332 1.00 0.00 C ATOM 529 CG1 ILE A 39 -8.644 -36.195 48.868 1.00 0.00 C ATOM 530 CG2 ILE A 39 -9.776 -34.555 47.398 1.00 0.00 C ATOM 531 CD1 ILE A 39 -8.561 -37.254 47.790 1.00 0.00 C ATOM 0 H ILE A 39 -6.377 -34.734 49.470 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.104 -35.309 46.859 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.648 -34.056 49.160 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.823 -36.340 49.570 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.570 -36.331 49.427 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.704 -34.734 47.941 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.767 -33.532 47.022 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.705 -35.250 46.561 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.603 -38.243 48.247 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.397 -37.137 47.100 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.623 -37.146 47.245 1.00 0.00 H new ATOM 543 N TYR A 40 -7.204 -32.105 47.674 1.00 0.00 N ATOM 544 CA TYR A 40 -7.271 -30.740 47.159 1.00 0.00 C ATOM 545 C TYR A 40 -6.083 -30.452 46.258 1.00 0.00 C ATOM 546 O TYR A 40 -6.218 -29.829 45.206 1.00 0.00 O ATOM 547 CB TYR A 40 -7.260 -29.732 48.310 1.00 0.00 C ATOM 548 CG TYR A 40 -7.354 -28.291 47.863 1.00 0.00 C ATOM 549 CD1 TYR A 40 -8.570 -27.745 47.472 1.00 0.00 C ATOM 550 CD2 TYR A 40 -6.226 -27.481 47.832 1.00 0.00 C ATOM 551 CE1 TYR A 40 -8.665 -26.428 47.062 1.00 0.00 C ATOM 552 CE2 TYR A 40 -6.302 -26.162 47.425 1.00 0.00 C ATOM 553 CZ TYR A 40 -7.535 -25.640 47.038 1.00 0.00 C ATOM 554 OH TYR A 40 -7.627 -24.329 46.630 1.00 0.00 O ATOM 0 H TYR A 40 -7.021 -32.164 48.676 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.197 -30.644 46.592 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.093 -29.950 48.979 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.345 -29.864 48.887 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -9.457 -28.360 47.489 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.272 -27.889 48.131 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.619 -26.020 46.762 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.417 -25.544 47.407 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.742 -23.911 46.672 1.00 0.00 H new ATOM 564 N SER A 41 -4.911 -30.914 46.686 1.00 0.00 N ATOM 565 CA SER A 41 -3.674 -30.720 45.935 1.00 0.00 C ATOM 566 C SER A 41 -3.783 -31.352 44.557 1.00 0.00 C ATOM 567 O SER A 41 -3.486 -30.723 43.543 1.00 0.00 O ATOM 568 CB SER A 41 -2.495 -31.362 46.669 1.00 0.00 C ATOM 569 OG SER A 41 -2.240 -30.704 47.898 1.00 0.00 O ATOM 0 H SER A 41 -4.792 -31.430 47.558 1.00 0.00 H new ATOM 0 HA SER A 41 -3.510 -29.647 45.838 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.708 -32.415 46.854 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.606 -31.322 46.040 1.00 0.00 H new ATOM 0 HG SER A 41 -2.943 -30.930 48.542 1.00 0.00 H new ATOM 575 N MET A 42 -4.214 -32.611 44.535 1.00 0.00 N ATOM 576 CA MET A 42 -4.374 -33.358 43.291 1.00 0.00 C ATOM 577 C MET A 42 -5.441 -32.719 42.418 1.00 0.00 C ATOM 578 O MET A 42 -5.288 -32.612 41.202 1.00 0.00 O ATOM 579 CB MET A 42 -4.790 -34.801 43.582 1.00 0.00 C ATOM 580 CG MET A 42 -4.898 -35.678 42.345 1.00 0.00 C ATOM 581 SD MET A 42 -5.359 -37.377 42.734 1.00 0.00 S ATOM 582 CE MET A 42 -7.065 -37.160 43.232 1.00 0.00 C ATOM 0 H MET A 42 -4.460 -33.138 45.373 1.00 0.00 H new ATOM 0 HA MET A 42 -3.415 -33.346 42.772 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.067 -35.245 44.267 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.752 -34.794 44.094 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.637 -35.252 41.666 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.943 -35.676 41.819 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.556 -38.132 43.281 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.100 -36.686 44.213 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.579 -36.530 42.506 1.00 0.00 H new ATOM 592 N LEU A 43 -6.528 -32.296 43.057 1.00 0.00 N ATOM 593 CA LEU A 43 -7.643 -31.660 42.363 1.00 0.00 C ATOM 594 C LEU A 43 -7.284 -30.235 41.972 1.00 0.00 C ATOM 595 O LEU A 43 -7.618 -29.771 40.883 1.00 0.00 O ATOM 596 CB LEU A 43 -8.880 -31.617 43.263 1.00 0.00 C ATOM 597 CG LEU A 43 -9.563 -32.958 43.539 1.00 0.00 C ATOM 598 CD1 LEU A 43 -10.694 -32.788 44.543 1.00 0.00 C ATOM 599 CD2 LEU A 43 -10.147 -33.538 42.260 1.00 0.00 C ATOM 0 H LEU A 43 -6.660 -32.384 44.065 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.856 -32.247 41.469 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.594 -31.176 44.218 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.611 -30.948 42.809 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.807 -33.632 43.941 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.167 -33.753 44.725 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.294 -32.397 45.479 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.432 -32.092 44.145 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.628 -34.491 42.479 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.883 -32.846 41.850 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.349 -33.693 41.533 1.00 0.00 H new ATOM 611 N ARG A 44 -6.598 -29.546 42.878 1.00 0.00 N ATOM 612 CA ARG A 44 -6.177 -28.166 42.655 1.00 0.00 C ATOM 613 C ARG A 44 -4.898 -28.125 41.834 1.00 0.00 C ATOM 614 O ARG A 44 -4.682 -27.213 41.038 1.00 0.00 O ATOM 615 CB ARG A 44 -5.918 -27.463 43.989 1.00 0.00 C ATOM 616 CG ARG A 44 -5.562 -25.991 43.856 1.00 0.00 C ATOM 617 CD ARG A 44 -6.738 -25.184 43.331 1.00 0.00 C ATOM 618 NE ARG A 44 -6.418 -23.763 43.212 1.00 0.00 N ATOM 619 CZ ARG A 44 -7.204 -22.866 42.627 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.363 -23.242 42.103 1.00 0.00 N ATOM 621 NH2 ARG A 44 -6.830 -21.596 42.566 1.00 0.00 N ATOM 0 H ARG A 44 -6.319 -29.925 43.783 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.978 -27.657 42.118 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.806 -27.556 44.615 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.108 -27.976 44.507 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.254 -25.600 44.826 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.712 -25.880 43.183 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.037 -25.571 42.357 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.590 -25.309 43.999 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.534 -23.439 43.604 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.650 -24.220 42.149 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.967 -22.554 41.654 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.938 -21.307 42.968 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.434 -20.908 42.117 1.00 0.00 H new ATOM 635 N LYS A 45 -4.052 -29.130 42.040 1.00 0.00 N ATOM 636 CA LYS A 45 -2.780 -29.236 41.330 1.00 0.00 C ATOM 637 C LYS A 45 -3.009 -29.649 39.886 1.00 0.00 C ATOM 638 O LYS A 45 -2.441 -29.071 38.961 1.00 0.00 O ATOM 639 CB LYS A 45 -1.881 -30.280 41.995 1.00 0.00 C ATOM 640 CG LYS A 45 -0.511 -30.420 41.351 1.00 0.00 C ATOM 641 CD LYS A 45 0.348 -31.431 42.093 1.00 0.00 C ATOM 642 CE LYS A 45 1.712 -31.581 41.441 1.00 0.00 C ATOM 643 NZ LYS A 45 2.569 -32.560 42.165 1.00 0.00 N ATOM 0 H LYS A 45 -4.226 -29.889 42.699 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.299 -28.258 41.363 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.752 -30.017 43.045 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.384 -31.247 41.968 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.625 -30.730 40.312 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.011 -29.452 41.342 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.471 -31.116 43.129 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.157 -32.397 42.111 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.587 -31.903 40.407 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.210 -30.612 41.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.491 -32.633 41.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.710 -32.240 43.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.106 -33.491 42.168 1.00 0.00 H new ATOM 657 N ALA A 46 -3.853 -30.662 39.705 1.00 0.00 N ATOM 658 CA ALA A 46 -4.179 -31.178 38.379 1.00 0.00 C ATOM 659 C ALA A 46 -5.169 -32.328 38.502 1.00 0.00 C ATOM 660 O ALA A 46 -5.570 -32.690 39.606 1.00 0.00 O ATOM 661 CB ALA A 46 -2.901 -31.636 37.684 1.00 0.00 C ATOM 0 H ALA A 46 -4.327 -31.145 40.468 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.639 -30.391 37.781 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.143 -32.022 36.694 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.217 -30.793 37.588 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.428 -32.421 38.273 1.00 0.00 H new TER 667 ALA A 46