USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 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 51 GLN : amide:sc= -6.56! K(o=-18!,f=-6.6) USER MOD Set 1.2: A 54 ASN : amide:sc= -11! C(o=-18!,f=-6.1!) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -3.45! C(o=-3.4!,f=-3.9!) USER MOD Single : A 4 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.022) USER MOD Single : A 5 HIS : no HD1:sc= -1.02! C(o=-1!,f=-6!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 10 HIS : no HD1:sc=-0.00224 X(o=-0.0022,f=-0.18) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0428 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.359! USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.172 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= -0.717 USER MOD Single : A 57 ASN : amide:sc= -1.67! C(o=-1.7!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 118.927 90.290 39.678 1.00 0.00 N ATOM 2 CA PHE A 1 119.997 90.952 40.491 1.00 0.00 C ATOM 3 C PHE A 1 119.375 91.643 41.730 1.00 0.00 C ATOM 4 O PHE A 1 119.730 91.356 42.856 1.00 0.00 O ATOM 5 CB PHE A 1 120.727 91.974 39.626 1.00 0.00 C ATOM 6 CG PHE A 1 121.618 92.820 40.498 1.00 0.00 C ATOM 7 CD1 PHE A 1 122.035 92.355 41.752 1.00 0.00 C ATOM 8 CD2 PHE A 1 122.038 94.071 40.045 1.00 0.00 C ATOM 9 CE1 PHE A 1 122.869 93.146 42.545 1.00 0.00 C ATOM 10 CE2 PHE A 1 122.868 94.861 40.838 1.00 0.00 C ATOM 11 CZ PHE A 1 123.285 94.399 42.087 1.00 0.00 C ATOM 0 H1 PHE A 1 119.355 89.830 38.850 1.00 0.00 H new ATOM 0 H2 PHE A 1 118.442 89.576 40.258 1.00 0.00 H new ATOM 0 H3 PHE A 1 118.240 91.004 39.361 1.00 0.00 H new ATOM 0 HA PHE A 1 120.707 90.201 40.837 1.00 0.00 H new ATOM 0 HB2 PHE A 1 121.320 91.466 38.865 1.00 0.00 H new ATOM 0 HB3 PHE A 1 120.008 92.604 39.102 1.00 0.00 H new ATOM 0 HD1 PHE A 1 121.712 91.387 42.105 1.00 0.00 H new ATOM 0 HD2 PHE A 1 121.719 94.428 39.077 1.00 0.00 H new ATOM 0 HE1 PHE A 1 123.192 92.790 43.512 1.00 0.00 H new ATOM 0 HE2 PHE A 1 123.188 95.830 40.486 1.00 0.00 H new ATOM 0 HZ PHE A 1 123.930 95.011 42.700 1.00 0.00 H new ATOM 23 N VAL A 2 118.415 92.507 41.543 1.00 0.00 N ATOM 24 CA VAL A 2 117.734 93.138 42.719 1.00 0.00 C ATOM 25 C VAL A 2 118.754 93.473 43.828 1.00 0.00 C ATOM 26 O VAL A 2 119.395 94.504 43.784 1.00 0.00 O ATOM 27 CB VAL A 2 116.599 92.209 43.225 1.00 0.00 C ATOM 28 CG1 VAL A 2 117.037 90.739 43.166 1.00 0.00 C ATOM 29 CG2 VAL A 2 116.171 92.585 44.667 1.00 0.00 C ATOM 0 H VAL A 2 118.070 92.805 40.631 1.00 0.00 H new ATOM 0 HA VAL A 2 117.283 94.082 42.414 1.00 0.00 H new ATOM 0 HB VAL A 2 115.739 92.344 42.569 1.00 0.00 H new ATOM 0 HG11 VAL A 2 116.227 90.103 43.525 1.00 0.00 H new ATOM 0 HG12 VAL A 2 117.279 90.472 42.137 1.00 0.00 H new ATOM 0 HG13 VAL A 2 117.916 90.596 43.794 1.00 0.00 H new ATOM 0 HG21 VAL A 2 115.374 91.918 44.996 1.00 0.00 H new ATOM 0 HG22 VAL A 2 117.025 92.488 45.337 1.00 0.00 H new ATOM 0 HG23 VAL A 2 115.812 93.614 44.683 1.00 0.00 H new ATOM 39 N ASN A 3 118.909 92.627 44.815 1.00 0.00 N ATOM 40 CA ASN A 3 119.877 92.916 45.922 1.00 0.00 C ATOM 41 C ASN A 3 120.629 91.639 46.301 1.00 0.00 C ATOM 42 O ASN A 3 121.824 91.663 46.508 1.00 0.00 O ATOM 43 CB ASN A 3 119.098 93.440 47.133 1.00 0.00 C ATOM 44 CG ASN A 3 118.131 94.540 46.688 1.00 0.00 C ATOM 45 OD1 ASN A 3 118.410 95.274 45.762 1.00 0.00 O ATOM 46 ND2 ASN A 3 117.001 94.694 47.318 1.00 0.00 N ATOM 0 H ASN A 3 118.406 91.744 44.904 1.00 0.00 H new ATOM 0 HA ASN A 3 120.600 93.664 45.595 1.00 0.00 H new ATOM 0 HB2 ASN A 3 118.546 92.626 47.603 1.00 0.00 H new ATOM 0 HB3 ASN A 3 119.789 93.830 47.881 1.00 0.00 H new ATOM 0 HD21 ASN A 3 116.354 95.429 47.033 1.00 0.00 H new ATOM 0 HD22 ASN A 3 116.763 94.079 48.096 1.00 0.00 H new ATOM 53 N GLN A 4 119.915 90.547 46.401 1.00 0.00 N ATOM 54 CA GLN A 4 120.501 89.211 46.781 1.00 0.00 C ATOM 55 C GLN A 4 122.025 89.137 46.608 1.00 0.00 C ATOM 56 O GLN A 4 122.597 89.679 45.683 1.00 0.00 O ATOM 57 CB GLN A 4 119.853 88.132 45.920 1.00 0.00 C ATOM 58 CG GLN A 4 120.325 88.272 44.466 1.00 0.00 C ATOM 59 CD GLN A 4 119.384 87.491 43.545 1.00 0.00 C ATOM 60 OE1 GLN A 4 119.824 86.689 42.744 1.00 0.00 O ATOM 61 NE2 GLN A 4 118.097 87.692 43.626 1.00 0.00 N ATOM 0 H GLN A 4 118.910 90.520 46.229 1.00 0.00 H new ATOM 0 HA GLN A 4 120.297 89.062 47.841 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.112 87.145 46.302 1.00 0.00 H new ATOM 0 HB3 GLN A 4 118.768 88.218 45.969 1.00 0.00 H new ATOM 0 HG2 GLN A 4 120.343 89.323 44.178 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.343 87.897 44.366 1.00 0.00 H new ATOM 0 HE21 GLN A 4 117.727 88.365 44.298 1.00 0.00 H new ATOM 0 HE22 GLN A 4 117.461 87.176 43.018 1.00 0.00 H new ATOM 70 N HIS A 5 122.676 88.441 47.502 1.00 0.00 N ATOM 71 CA HIS A 5 124.160 88.296 47.431 1.00 0.00 C ATOM 72 C HIS A 5 124.592 87.953 46.003 1.00 0.00 C ATOM 73 O HIS A 5 123.935 87.207 45.305 1.00 0.00 O ATOM 74 CB HIS A 5 124.608 87.180 48.376 1.00 0.00 C ATOM 75 CG HIS A 5 123.806 85.939 48.096 1.00 0.00 C ATOM 76 ND1 HIS A 5 122.429 85.971 47.924 1.00 0.00 N ATOM 77 CD2 HIS A 5 124.171 84.622 47.955 1.00 0.00 C ATOM 78 CE1 HIS A 5 122.019 84.711 47.690 1.00 0.00 C ATOM 79 NE2 HIS A 5 123.042 83.854 47.700 1.00 0.00 N ATOM 0 H HIS A 5 122.237 87.961 48.288 1.00 0.00 H new ATOM 0 HA HIS A 5 124.621 89.239 47.725 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.671 86.978 48.241 1.00 0.00 H new ATOM 0 HB3 HIS A 5 124.471 87.489 49.412 1.00 0.00 H new ATOM 0 HD2 HIS A 5 125.179 84.243 48.031 1.00 0.00 H new ATOM 0 HE1 HIS A 5 120.991 84.429 47.516 1.00 0.00 H new ATOM 0 HE2 HIS A 5 123.003 82.846 47.551 1.00 0.00 H new ATOM 88 N LEU A 6 125.699 88.503 45.574 1.00 0.00 N ATOM 89 CA LEU A 6 126.213 88.246 44.190 1.00 0.00 C ATOM 90 C LEU A 6 127.706 87.872 44.277 1.00 0.00 C ATOM 91 O LEU A 6 128.542 88.703 44.571 1.00 0.00 O ATOM 92 CB LEU A 6 126.029 89.546 43.362 1.00 0.00 C ATOM 93 CG LEU A 6 125.020 89.391 42.198 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.730 88.674 42.652 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.671 90.795 41.671 1.00 0.00 C ATOM 0 H LEU A 6 126.279 89.130 46.132 1.00 0.00 H new ATOM 0 HA LEU A 6 125.672 87.428 43.714 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.692 90.345 44.022 1.00 0.00 H new ATOM 0 HB3 LEU A 6 126.994 89.852 42.959 1.00 0.00 H new ATOM 0 HG LEU A 6 125.476 88.783 41.417 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.047 88.584 41.807 1.00 0.00 H new ATOM 0 HD12 LEU A 6 123.978 87.680 43.025 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.253 89.251 43.445 1.00 0.00 H new ATOM 0 HD21 LEU A 6 123.960 90.709 40.849 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.228 91.385 42.473 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.577 91.286 41.317 1.00 0.00 H new ATOM 107 N CYS A 7 128.042 86.628 44.012 1.00 0.00 N ATOM 108 CA CYS A 7 129.479 86.187 44.064 1.00 0.00 C ATOM 109 C CYS A 7 129.931 85.784 42.657 1.00 0.00 C ATOM 110 O CYS A 7 129.162 85.264 41.876 1.00 0.00 O ATOM 111 CB CYS A 7 129.617 84.977 44.994 1.00 0.00 C ATOM 112 SG CYS A 7 129.003 85.399 46.646 1.00 0.00 S ATOM 0 H CYS A 7 127.379 85.895 43.760 1.00 0.00 H new ATOM 0 HA CYS A 7 130.094 87.006 44.437 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.057 84.133 44.593 1.00 0.00 H new ATOM 0 HB3 CYS A 7 130.661 84.668 45.052 1.00 0.00 H new ATOM 117 N GLY A 8 131.173 86.020 42.327 1.00 0.00 N ATOM 118 CA GLY A 8 131.665 85.649 40.966 1.00 0.00 C ATOM 119 C GLY A 8 131.244 86.727 39.967 1.00 0.00 C ATOM 120 O GLY A 8 130.677 87.736 40.339 1.00 0.00 O ATOM 0 H GLY A 8 131.867 86.452 42.938 1.00 0.00 H new ATOM 0 HA2 GLY A 8 132.750 85.548 40.974 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.257 84.683 40.670 1.00 0.00 H new ATOM 124 N SER A 9 131.510 86.532 38.702 1.00 0.00 N ATOM 125 CA SER A 9 131.109 87.566 37.707 1.00 0.00 C ATOM 126 C SER A 9 129.607 87.820 37.827 1.00 0.00 C ATOM 127 O SER A 9 129.107 88.819 37.355 1.00 0.00 O ATOM 128 CB SER A 9 131.466 87.114 36.293 1.00 0.00 C ATOM 129 OG SER A 9 131.162 85.732 36.144 1.00 0.00 O ATOM 0 H SER A 9 131.981 85.712 38.320 1.00 0.00 H new ATOM 0 HA SER A 9 131.648 88.491 37.909 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.910 87.700 35.561 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.525 87.287 36.101 1.00 0.00 H new ATOM 0 HG SER A 9 131.390 85.443 35.236 1.00 0.00 H new ATOM 135 N HIS A 10 128.872 86.954 38.493 1.00 0.00 N ATOM 136 CA HIS A 10 127.412 87.230 38.662 1.00 0.00 C ATOM 137 C HIS A 10 127.323 88.637 39.227 1.00 0.00 C ATOM 138 O HIS A 10 126.351 89.347 39.059 1.00 0.00 O ATOM 139 CB HIS A 10 126.781 86.238 39.650 1.00 0.00 C ATOM 140 CG HIS A 10 126.471 84.946 38.943 1.00 0.00 C ATOM 141 ND1 HIS A 10 125.474 84.854 37.980 1.00 0.00 N ATOM 142 CD2 HIS A 10 127.010 83.689 39.049 1.00 0.00 C ATOM 143 CE1 HIS A 10 125.447 83.579 37.548 1.00 0.00 C ATOM 144 NE2 HIS A 10 126.361 82.831 38.167 1.00 0.00 N ATOM 0 H HIS A 10 129.212 86.090 38.916 1.00 0.00 H new ATOM 0 HA HIS A 10 126.880 87.129 37.716 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.462 86.055 40.481 1.00 0.00 H new ATOM 0 HB3 HIS A 10 125.869 86.661 40.072 1.00 0.00 H new ATOM 0 HD2 HIS A 10 127.814 83.409 39.714 1.00 0.00 H new ATOM 0 HE1 HIS A 10 124.769 83.208 36.794 1.00 0.00 H new ATOM 0 HE2 HIS A 10 126.546 81.838 38.024 1.00 0.00 H new ATOM 153 N LEU A 11 128.385 89.044 39.868 1.00 0.00 N ATOM 154 CA LEU A 11 128.464 90.389 40.422 1.00 0.00 C ATOM 155 C LEU A 11 128.861 91.318 39.290 1.00 0.00 C ATOM 156 O LEU A 11 128.256 92.347 39.063 1.00 0.00 O ATOM 157 CB LEU A 11 129.530 90.385 41.504 1.00 0.00 C ATOM 158 CG LEU A 11 129.817 91.805 41.957 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.510 92.544 42.277 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.716 91.762 43.194 1.00 0.00 C ATOM 0 H LEU A 11 129.214 88.471 40.025 1.00 0.00 H new ATOM 0 HA LEU A 11 127.518 90.715 40.853 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.198 89.785 42.351 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.442 89.924 41.125 1.00 0.00 H new ATOM 0 HG LEU A 11 130.322 92.343 41.155 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.736 93.560 42.600 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.883 92.578 41.386 1.00 0.00 H new ATOM 0 HD13 LEU A 11 127.981 92.020 43.073 1.00 0.00 H new ATOM 0 HD21 LEU A 11 130.927 92.779 43.526 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.211 91.217 43.992 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.651 91.260 42.947 1.00 0.00 H new ATOM 172 N VAL A 12 129.867 90.935 38.548 1.00 0.00 N ATOM 173 CA VAL A 12 130.301 91.763 37.396 1.00 0.00 C ATOM 174 C VAL A 12 129.090 92.099 36.567 1.00 0.00 C ATOM 175 O VAL A 12 128.914 93.209 36.111 1.00 0.00 O ATOM 176 CB VAL A 12 131.228 90.956 36.475 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.330 91.673 35.108 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.608 90.810 37.107 1.00 0.00 C ATOM 0 H VAL A 12 130.405 90.081 38.695 1.00 0.00 H new ATOM 0 HA VAL A 12 130.808 92.648 37.780 1.00 0.00 H new ATOM 0 HB VAL A 12 130.817 89.957 36.329 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.987 91.106 34.448 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.339 91.745 34.660 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.736 92.674 35.252 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.254 90.236 36.442 1.00 0.00 H new ATOM 0 HG22 VAL A 12 133.040 91.797 37.269 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.518 90.292 38.062 1.00 0.00 H new ATOM 188 N GLU A 13 128.292 91.121 36.301 1.00 0.00 N ATOM 189 CA GLU A 13 127.145 91.358 35.440 1.00 0.00 C ATOM 190 C GLU A 13 126.411 92.587 35.908 1.00 0.00 C ATOM 191 O GLU A 13 126.292 93.553 35.196 1.00 0.00 O ATOM 192 CB GLU A 13 126.207 90.175 35.485 1.00 0.00 C ATOM 193 CG GLU A 13 125.317 90.203 34.243 1.00 0.00 C ATOM 194 CD GLU A 13 124.154 89.225 34.415 1.00 0.00 C ATOM 195 OE1 GLU A 13 123.179 89.598 35.048 1.00 0.00 O ATOM 196 OE2 GLU A 13 124.256 88.118 33.911 1.00 0.00 O1- ATOM 0 H GLU A 13 128.393 90.167 36.649 1.00 0.00 H new ATOM 0 HA GLU A 13 127.495 91.501 34.418 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.774 89.245 35.522 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.597 90.212 36.387 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.935 91.211 34.081 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.900 89.937 33.361 1.00 0.00 H new ATOM 203 N ALA A 14 125.946 92.552 37.124 1.00 0.00 N ATOM 204 CA ALA A 14 125.219 93.713 37.678 1.00 0.00 C ATOM 205 C ALA A 14 125.978 94.968 37.316 1.00 0.00 C ATOM 206 O ALA A 14 125.482 95.807 36.601 1.00 0.00 O ATOM 207 CB ALA A 14 125.168 93.581 39.199 1.00 0.00 C ATOM 0 H ALA A 14 126.042 91.760 37.759 1.00 0.00 H new ATOM 0 HA ALA A 14 124.207 93.757 37.276 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.634 94.432 39.620 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.651 92.659 39.467 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.183 93.557 39.596 1.00 0.00 H new ATOM 213 N LEU A 15 127.194 95.075 37.757 1.00 0.00 N ATOM 214 CA LEU A 15 128.007 96.261 37.401 1.00 0.00 C ATOM 215 C LEU A 15 127.848 96.522 35.904 1.00 0.00 C ATOM 216 O LEU A 15 127.510 97.605 35.488 1.00 0.00 O ATOM 217 CB LEU A 15 129.479 95.960 37.711 1.00 0.00 C ATOM 218 CG LEU A 15 129.697 95.940 39.231 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.861 95.007 39.582 1.00 0.00 C ATOM 220 CD2 LEU A 15 130.007 97.362 39.728 1.00 0.00 C ATOM 0 H LEU A 15 127.661 94.390 38.351 1.00 0.00 H new ATOM 0 HA LEU A 15 127.683 97.133 37.969 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.761 94.999 37.281 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.118 96.714 37.253 1.00 0.00 H new ATOM 0 HG LEU A 15 128.791 95.576 39.715 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.008 94.999 40.662 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.634 93.997 39.239 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.770 95.360 39.095 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.161 97.345 40.807 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.909 97.730 39.238 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.171 98.020 39.491 1.00 0.00 H new ATOM 232 N TYR A 16 128.052 95.516 35.093 1.00 0.00 N ATOM 233 CA TYR A 16 127.880 95.702 33.627 1.00 0.00 C ATOM 234 C TYR A 16 126.514 96.370 33.398 1.00 0.00 C ATOM 235 O TYR A 16 126.401 97.362 32.705 1.00 0.00 O ATOM 236 CB TYR A 16 127.992 94.310 32.924 1.00 0.00 C ATOM 237 CG TYR A 16 126.898 94.033 31.898 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.560 94.996 30.968 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.258 92.791 31.865 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.586 94.744 30.005 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.275 92.526 30.904 1.00 0.00 C ATOM 242 CZ TYR A 16 124.939 93.507 29.969 1.00 0.00 C ATOM 243 OH TYR A 16 123.973 93.256 29.016 1.00 0.00 O ATOM 0 H TYR A 16 128.329 94.578 35.384 1.00 0.00 H new ATOM 0 HA TYR A 16 128.652 96.342 33.201 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.962 94.243 32.431 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.966 93.529 33.684 1.00 0.00 H new ATOM 0 HD1 TYR A 16 127.056 95.955 30.988 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.523 92.031 32.585 1.00 0.00 H new ATOM 0 HE1 TYR A 16 125.331 95.507 29.285 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.779 91.567 30.886 1.00 0.00 H new ATOM 0 HH TYR A 16 123.626 92.347 29.133 1.00 0.00 H new ATOM 253 N LEU A 17 125.487 95.825 33.970 1.00 0.00 N ATOM 254 CA LEU A 17 124.127 96.403 33.784 1.00 0.00 C ATOM 255 C LEU A 17 124.102 97.879 34.138 1.00 0.00 C ATOM 256 O LEU A 17 123.768 98.731 33.338 1.00 0.00 O ATOM 257 CB LEU A 17 123.142 95.710 34.722 1.00 0.00 C ATOM 258 CG LEU A 17 123.307 94.210 34.620 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.262 93.505 35.494 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.168 93.748 33.179 1.00 0.00 C ATOM 0 H LEU A 17 125.526 94.997 34.564 1.00 0.00 H new ATOM 0 HA LEU A 17 123.856 96.263 32.737 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.313 96.035 35.748 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.121 95.991 34.464 1.00 0.00 H new ATOM 0 HG LEU A 17 124.306 93.952 34.972 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.389 92.425 35.414 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.391 93.809 36.533 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.262 93.779 35.158 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.290 92.666 33.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.181 94.019 32.804 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.933 94.227 32.568 1.00 0.00 H new ATOM 272 N VAL A 18 124.385 98.164 35.367 1.00 0.00 N ATOM 273 CA VAL A 18 124.314 99.552 35.857 1.00 0.00 C ATOM 274 C VAL A 18 125.409 100.433 35.229 1.00 0.00 C ATOM 275 O VAL A 18 125.182 101.590 34.937 1.00 0.00 O ATOM 276 CB VAL A 18 124.405 99.538 37.421 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.535 98.114 37.965 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.590 100.376 37.918 1.00 0.00 C ATOM 0 H VAL A 18 124.668 97.478 36.066 1.00 0.00 H new ATOM 0 HA VAL A 18 123.363 99.992 35.557 1.00 0.00 H new ATOM 0 HB VAL A 18 123.477 99.974 37.791 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.596 98.144 39.053 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.665 97.529 37.666 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.437 97.652 37.564 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.626 100.346 39.007 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.517 99.971 37.513 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.470 101.408 37.587 1.00 0.00 H new ATOM 288 N CYS A 19 126.601 99.933 35.085 1.00 0.00 N ATOM 289 CA CYS A 19 127.695 100.797 34.554 1.00 0.00 C ATOM 290 C CYS A 19 127.624 100.968 33.032 1.00 0.00 C ATOM 291 O CYS A 19 128.016 101.993 32.517 1.00 0.00 O ATOM 292 CB CYS A 19 129.031 100.156 34.944 1.00 0.00 C ATOM 293 SG CYS A 19 129.269 100.274 36.744 1.00 0.00 S ATOM 0 H CYS A 19 126.867 98.974 35.308 1.00 0.00 H new ATOM 0 HA CYS A 19 127.591 101.793 34.984 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.048 99.111 34.633 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.850 100.656 34.426 1.00 0.00 H new ATOM 298 N GLY A 20 127.096 100.024 32.306 1.00 0.00 N ATOM 299 CA GLY A 20 127.004 100.205 30.820 1.00 0.00 C ATOM 300 C GLY A 20 128.294 99.738 30.126 1.00 0.00 C ATOM 301 O GLY A 20 128.970 98.835 30.578 1.00 0.00 O ATOM 0 H GLY A 20 126.727 99.144 32.665 1.00 0.00 H new ATOM 0 HA2 GLY A 20 126.155 99.642 30.434 1.00 0.00 H new ATOM 0 HA3 GLY A 20 126.822 101.255 30.589 1.00 0.00 H new ATOM 305 N GLU A 21 128.616 100.346 29.007 1.00 0.00 N ATOM 306 CA GLU A 21 129.839 99.958 28.227 1.00 0.00 C ATOM 307 C GLU A 21 131.114 100.703 28.678 1.00 0.00 C ATOM 308 O GLU A 21 132.210 100.297 28.348 1.00 0.00 O ATOM 309 CB GLU A 21 129.591 100.287 26.759 1.00 0.00 C ATOM 310 CG GLU A 21 130.677 99.647 25.895 1.00 0.00 C ATOM 311 CD GLU A 21 130.296 99.774 24.419 1.00 0.00 C ATOM 312 OE1 GLU A 21 129.577 98.915 23.936 1.00 0.00 O ATOM 313 OE2 GLU A 21 130.732 100.728 23.796 1.00 0.00 O1- ATOM 0 H GLU A 21 128.075 101.106 28.595 1.00 0.00 H new ATOM 0 HA GLU A 21 130.007 98.894 28.395 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.610 99.922 26.456 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.588 101.367 26.614 1.00 0.00 H new ATOM 0 HG2 GLU A 21 131.635 100.133 26.077 1.00 0.00 H new ATOM 0 HG3 GLU A 21 130.797 98.597 26.162 1.00 0.00 H new ATOM 320 N ARG A 22 130.989 101.804 29.369 1.00 0.00 N ATOM 321 CA ARG A 22 132.213 102.588 29.777 1.00 0.00 C ATOM 322 C ARG A 22 133.326 101.648 30.283 1.00 0.00 C ATOM 323 O ARG A 22 134.471 102.040 30.404 1.00 0.00 O ATOM 324 CB ARG A 22 131.800 103.689 30.821 1.00 0.00 C ATOM 325 CG ARG A 22 132.553 103.627 32.170 1.00 0.00 C ATOM 326 CD ARG A 22 131.779 102.811 33.188 1.00 0.00 C ATOM 327 NE ARG A 22 131.893 101.352 32.905 1.00 0.00 N ATOM 328 CZ ARG A 22 131.020 100.756 32.142 1.00 0.00 C ATOM 329 NH1 ARG A 22 131.127 99.480 31.903 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 130.045 101.429 31.621 1.00 0.00 N ATOM 0 H ARG A 22 130.100 102.201 29.672 1.00 0.00 H new ATOM 0 HA ARG A 22 132.634 103.101 28.913 1.00 0.00 H new ATOM 0 HB2 ARG A 22 131.964 104.670 30.376 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.731 103.602 31.015 1.00 0.00 H new ATOM 0 HG2 ARG A 22 133.539 103.187 32.020 1.00 0.00 H new ATOM 0 HG3 ARG A 22 132.709 104.637 32.550 1.00 0.00 H new ATOM 0 HD2 ARG A 22 132.156 103.021 34.189 1.00 0.00 H new ATOM 0 HD3 ARG A 22 130.730 103.106 33.174 1.00 0.00 H new ATOM 0 HE ARG A 22 132.660 100.816 33.311 1.00 0.00 H new ATOM 0 HH11 ARG A 22 131.894 98.947 32.313 1.00 0.00 H new ATOM 0 HH12 ARG A 22 130.444 99.014 31.306 1.00 0.00 H new ATOM 0 HH21 ARG A 22 129.958 102.428 31.807 1.00 0.00 H new ATOM 0 HH22 ARG A 22 129.363 100.960 31.024 1.00 0.00 H new ATOM 344 N GLY A 23 133.010 100.426 30.580 1.00 0.00 N ATOM 345 CA GLY A 23 134.049 99.491 31.097 1.00 0.00 C ATOM 346 C GLY A 23 134.134 99.691 32.609 1.00 0.00 C ATOM 347 O GLY A 23 134.824 100.567 33.094 1.00 0.00 O ATOM 0 H GLY A 23 132.075 100.028 30.488 1.00 0.00 H new ATOM 0 HA2 GLY A 23 133.788 98.459 30.861 1.00 0.00 H new ATOM 0 HA3 GLY A 23 135.013 99.692 30.629 1.00 0.00 H new ATOM 351 N PHE A 24 133.409 98.908 33.357 1.00 0.00 N ATOM 352 CA PHE A 24 133.404 99.060 34.831 1.00 0.00 C ATOM 353 C PHE A 24 134.688 98.459 35.408 1.00 0.00 C ATOM 354 O PHE A 24 135.373 97.694 34.759 1.00 0.00 O ATOM 355 CB PHE A 24 132.179 98.324 35.371 1.00 0.00 C ATOM 356 CG PHE A 24 132.169 96.944 34.777 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.872 95.943 35.411 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.481 96.672 33.594 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.900 94.656 34.866 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.510 95.380 33.051 1.00 0.00 C ATOM 361 CZ PHE A 24 132.223 94.382 33.685 1.00 0.00 C ATOM 0 H PHE A 24 132.813 98.160 33.001 1.00 0.00 H new ATOM 0 HA PHE A 24 133.361 100.111 35.115 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.215 98.271 36.459 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.266 98.859 35.108 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.401 96.153 36.329 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.927 97.455 33.098 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.450 93.872 35.365 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.975 95.165 32.138 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.254 93.389 33.263 1.00 0.00 H new ATOM 371 N PHE A 25 135.030 98.818 36.613 1.00 0.00 N ATOM 372 CA PHE A 25 136.286 98.292 37.231 1.00 0.00 C ATOM 373 C PHE A 25 136.010 96.990 37.990 1.00 0.00 C ATOM 374 O PHE A 25 135.085 96.894 38.772 1.00 0.00 O ATOM 375 CB PHE A 25 136.840 99.334 38.205 1.00 0.00 C ATOM 376 CG PHE A 25 137.347 100.521 37.436 1.00 0.00 C ATOM 377 CD1 PHE A 25 136.717 101.759 37.569 1.00 0.00 C ATOM 378 CD2 PHE A 25 138.457 100.386 36.597 1.00 0.00 C ATOM 379 CE1 PHE A 25 137.190 102.859 36.864 1.00 0.00 C ATOM 380 CE2 PHE A 25 138.932 101.489 35.888 1.00 0.00 C ATOM 381 CZ PHE A 25 138.300 102.730 36.021 1.00 0.00 C ATOM 0 H PHE A 25 134.494 99.456 37.202 1.00 0.00 H new ATOM 0 HA PHE A 25 137.009 98.091 36.441 1.00 0.00 H new ATOM 0 HB2 PHE A 25 136.062 99.645 38.903 1.00 0.00 H new ATOM 0 HB3 PHE A 25 137.645 98.901 38.798 1.00 0.00 H new ATOM 0 HD1 PHE A 25 135.862 101.862 38.220 1.00 0.00 H new ATOM 0 HD2 PHE A 25 138.946 99.428 36.498 1.00 0.00 H new ATOM 0 HE1 PHE A 25 136.700 103.816 36.967 1.00 0.00 H new ATOM 0 HE2 PHE A 25 139.787 101.385 35.237 1.00 0.00 H new ATOM 0 HZ PHE A 25 138.668 103.586 35.475 1.00 0.00 H new ATOM 391 N TYR A 26 136.830 95.994 37.772 1.00 0.00 N ATOM 392 CA TYR A 26 136.653 94.693 38.479 1.00 0.00 C ATOM 393 C TYR A 26 137.849 93.790 38.155 1.00 0.00 C ATOM 394 O TYR A 26 138.176 92.882 38.892 1.00 0.00 O ATOM 395 CB TYR A 26 135.354 94.017 38.017 1.00 0.00 C ATOM 396 CG TYR A 26 134.971 92.934 38.998 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.456 93.281 40.249 1.00 0.00 C ATOM 398 CD2 TYR A 26 135.129 91.584 38.655 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.097 92.284 41.159 1.00 0.00 C ATOM 400 CE2 TYR A 26 134.771 90.586 39.566 1.00 0.00 C ATOM 401 CZ TYR A 26 134.254 90.935 40.819 1.00 0.00 C ATOM 402 OH TYR A 26 133.899 89.950 41.720 1.00 0.00 O ATOM 0 H TYR A 26 137.621 96.028 37.129 1.00 0.00 H new ATOM 0 HA TYR A 26 136.595 94.864 39.554 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.555 94.754 37.943 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.487 93.591 37.023 1.00 0.00 H new ATOM 0 HD1 TYR A 26 134.335 94.321 40.513 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.527 91.315 37.688 1.00 0.00 H new ATOM 0 HE1 TYR A 26 133.698 92.554 42.126 1.00 0.00 H new ATOM 0 HE2 TYR A 26 134.893 89.546 39.303 1.00 0.00 H new ATOM 0 HH TYR A 26 134.071 89.069 41.326 1.00 0.00 H new ATOM 412 N THR A 27 138.508 94.049 37.058 1.00 0.00 N ATOM 413 CA THR A 27 139.693 93.228 36.670 1.00 0.00 C ATOM 414 C THR A 27 139.304 91.745 36.599 1.00 0.00 C ATOM 415 O THR A 27 138.242 91.344 37.033 1.00 0.00 O ATOM 416 CB THR A 27 140.816 93.432 37.709 1.00 0.00 C ATOM 417 OG1 THR A 27 140.696 94.729 38.276 1.00 0.00 O ATOM 418 CG2 THR A 27 142.191 93.296 37.043 1.00 0.00 C ATOM 0 H THR A 27 138.275 94.800 36.408 1.00 0.00 H new ATOM 0 HA THR A 27 140.047 93.543 35.688 1.00 0.00 H new ATOM 0 HB THR A 27 140.723 92.673 38.486 1.00 0.00 H new ATOM 0 HG1 THR A 27 141.406 94.864 38.938 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.972 93.442 37.789 1.00 0.00 H new ATOM 0 HG22 THR A 27 142.287 92.302 36.607 1.00 0.00 H new ATOM 0 HG23 THR A 27 142.292 94.047 36.260 1.00 0.00 H new ATOM 426 N ASP A 28 140.168 90.933 36.052 1.00 0.00 N ATOM 427 CA ASP A 28 139.888 89.479 35.935 1.00 0.00 C ATOM 428 C ASP A 28 140.308 88.792 37.247 1.00 0.00 C ATOM 429 O ASP A 28 141.013 89.367 38.053 1.00 0.00 O ATOM 430 CB ASP A 28 140.709 88.934 34.740 1.00 0.00 C ATOM 431 CG ASP A 28 139.784 88.537 33.580 1.00 0.00 C ATOM 432 OD1 ASP A 28 139.795 87.375 33.210 1.00 0.00 O ATOM 433 OD2 ASP A 28 139.083 89.404 33.084 1.00 0.00 O1- ATOM 0 H ASP A 28 141.070 91.224 35.676 1.00 0.00 H new ATOM 0 HA ASP A 28 138.829 89.286 35.765 1.00 0.00 H new ATOM 0 HB2 ASP A 28 141.417 89.691 34.404 1.00 0.00 H new ATOM 0 HB3 ASP A 28 141.293 88.070 35.058 1.00 0.00 H new ATOM 438 N PRO A 29 139.829 87.578 37.444 1.00 0.00 N ATOM 439 CA PRO A 29 140.089 86.745 38.660 1.00 0.00 C ATOM 440 C PRO A 29 141.555 86.689 39.040 1.00 0.00 C ATOM 441 O PRO A 29 142.242 87.691 39.065 1.00 0.00 O ATOM 442 CB PRO A 29 139.595 85.334 38.281 1.00 0.00 C ATOM 443 CG PRO A 29 139.179 85.395 36.847 1.00 0.00 C ATOM 444 CD PRO A 29 138.966 86.865 36.501 1.00 0.00 C ATOM 0 HA PRO A 29 139.581 87.169 39.526 1.00 0.00 H new ATOM 0 HB2 PRO A 29 140.385 84.596 38.424 1.00 0.00 H new ATOM 0 HB3 PRO A 29 138.760 85.033 38.914 1.00 0.00 H new ATOM 0 HG2 PRO A 29 139.943 84.956 36.206 1.00 0.00 H new ATOM 0 HG3 PRO A 29 138.263 84.826 36.688 1.00 0.00 H new ATOM 0 HD2 PRO A 29 139.243 87.076 35.468 1.00 0.00 H new ATOM 0 HD3 PRO A 29 137.922 87.155 36.617 1.00 0.00 H new ATOM 452 N THR A 30 142.037 85.520 39.348 1.00 0.00 N ATOM 453 CA THR A 30 143.451 85.396 39.732 1.00 0.00 C ATOM 454 C THR A 30 144.015 86.785 39.918 1.00 0.00 C ATOM 455 O THR A 30 143.548 87.583 40.723 1.00 0.00 O ATOM 456 CB THR A 30 144.214 84.698 38.606 1.00 0.00 C ATOM 457 OG1 THR A 30 144.190 85.518 37.436 1.00 0.00 O ATOM 458 CG2 THR A 30 143.548 83.353 38.316 1.00 0.00 C ATOM 0 H THR A 30 141.506 84.649 39.348 1.00 0.00 H new ATOM 0 HA THR A 30 143.545 84.820 40.653 1.00 0.00 H new ATOM 0 HB THR A 30 145.250 84.534 38.902 1.00 0.00 H new ATOM 0 HG1 THR A 30 144.680 85.072 36.714 1.00 0.00 H new ATOM 0 HG21 THR A 30 144.085 82.847 37.514 1.00 0.00 H new ATOM 0 HG22 THR A 30 143.570 82.735 39.214 1.00 0.00 H new ATOM 0 HG23 THR A 30 142.514 83.517 38.013 1.00 0.00 H new ATOM 466 N GLU A 31 144.998 87.076 39.145 1.00 0.00 N ATOM 467 CA GLU A 31 145.626 88.397 39.203 1.00 0.00 C ATOM 468 C GLU A 31 144.987 89.241 40.320 1.00 0.00 C ATOM 469 O GLU A 31 144.015 89.955 40.123 1.00 0.00 O ATOM 470 CB GLU A 31 145.463 89.041 37.838 1.00 0.00 C ATOM 471 CG GLU A 31 146.289 88.248 36.827 1.00 0.00 C ATOM 472 CD GLU A 31 146.957 89.242 35.906 1.00 0.00 C ATOM 473 OE1 GLU A 31 148.034 88.947 35.420 1.00 0.00 O ATOM 474 OE2 GLU A 31 146.376 90.293 35.717 1.00 0.00 O1- ATOM 0 H GLU A 31 145.402 86.438 38.459 1.00 0.00 H new ATOM 0 HA GLU A 31 146.687 88.319 39.440 1.00 0.00 H new ATOM 0 HB2 GLU A 31 144.413 89.049 37.546 1.00 0.00 H new ATOM 0 HB3 GLU A 31 145.794 90.079 37.867 1.00 0.00 H new ATOM 0 HG2 GLU A 31 147.034 87.637 37.336 1.00 0.00 H new ATOM 0 HG3 GLU A 31 145.652 87.569 36.261 1.00 0.00 H new ATOM 481 N GLU A 32 145.563 89.130 41.497 1.00 0.00 N ATOM 482 CA GLU A 32 145.103 89.866 42.718 1.00 0.00 C ATOM 483 C GLU A 32 143.607 89.792 42.909 1.00 0.00 C ATOM 484 O GLU A 32 143.028 88.731 42.921 1.00 0.00 O ATOM 485 CB GLU A 32 145.518 91.326 42.652 1.00 0.00 C ATOM 486 CG GLU A 32 147.020 91.408 42.860 1.00 0.00 C ATOM 487 CD GLU A 32 147.625 92.192 41.709 1.00 0.00 C ATOM 488 OE1 GLU A 32 147.083 93.233 41.390 1.00 0.00 O ATOM 489 OE2 GLU A 32 148.608 91.735 41.159 1.00 0.00 O1- ATOM 0 H GLU A 32 146.371 88.530 41.665 1.00 0.00 H new ATOM 0 HA GLU A 32 145.580 89.378 43.568 1.00 0.00 H new ATOM 0 HB2 GLU A 32 145.245 91.755 41.688 1.00 0.00 H new ATOM 0 HB3 GLU A 32 144.997 91.903 43.416 1.00 0.00 H new ATOM 0 HG2 GLU A 32 147.245 91.895 43.809 1.00 0.00 H new ATOM 0 HG3 GLU A 32 147.451 90.408 42.905 1.00 0.00 H new ATOM 496 N GLY A 33 142.982 90.917 43.112 1.00 0.00 N ATOM 497 CA GLY A 33 141.517 90.903 43.357 1.00 0.00 C ATOM 498 C GLY A 33 140.861 92.183 42.848 1.00 0.00 C ATOM 499 O GLY A 33 141.494 93.007 42.205 1.00 0.00 O ATOM 0 H GLY A 33 143.419 91.838 43.119 1.00 0.00 H new ATOM 0 HA2 GLY A 33 141.071 90.041 42.862 1.00 0.00 H new ATOM 0 HA3 GLY A 33 141.325 90.792 44.424 1.00 0.00 H new ATOM 503 N PRO A 34 139.581 92.329 43.145 1.00 0.00 N ATOM 504 CA PRO A 34 138.747 93.503 42.724 1.00 0.00 C ATOM 505 C PRO A 34 139.199 94.786 43.435 1.00 0.00 C ATOM 506 O PRO A 34 140.364 95.125 43.431 1.00 0.00 O ATOM 507 CB PRO A 34 137.333 93.091 43.167 1.00 0.00 C ATOM 508 CG PRO A 34 137.564 92.211 44.338 1.00 0.00 C ATOM 509 CD PRO A 34 138.777 91.380 43.947 1.00 0.00 C ATOM 0 HA PRO A 34 138.818 93.724 41.659 1.00 0.00 H new ATOM 0 HB2 PRO A 34 136.730 93.959 43.433 1.00 0.00 H new ATOM 0 HB3 PRO A 34 136.803 92.566 42.372 1.00 0.00 H new ATOM 0 HG2 PRO A 34 137.753 92.791 45.241 1.00 0.00 H new ATOM 0 HG3 PRO A 34 136.698 91.581 44.540 1.00 0.00 H new ATOM 0 HD2 PRO A 34 139.323 91.026 44.821 1.00 0.00 H new ATOM 0 HD3 PRO A 34 138.495 90.500 43.369 1.00 0.00 H new ATOM 517 N ARG A 35 138.300 95.472 44.087 1.00 0.00 N ATOM 518 CA ARG A 35 138.701 96.687 44.852 1.00 0.00 C ATOM 519 C ARG A 35 138.527 96.309 46.316 1.00 0.00 C ATOM 520 O ARG A 35 138.483 97.152 47.192 1.00 0.00 O ATOM 521 CB ARG A 35 137.797 97.894 44.511 1.00 0.00 C ATOM 522 CG ARG A 35 138.594 99.207 44.648 1.00 0.00 C ATOM 523 CD ARG A 35 137.897 100.333 43.867 1.00 0.00 C ATOM 524 NE ARG A 35 138.320 100.261 42.443 1.00 0.00 N ATOM 525 CZ ARG A 35 137.624 100.855 41.512 1.00 0.00 C ATOM 526 NH1 ARG A 35 137.875 100.599 40.256 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 136.703 101.726 41.829 1.00 0.00 N ATOM 0 H ARG A 35 137.306 95.244 44.123 1.00 0.00 H new ATOM 0 HA ARG A 35 139.721 96.985 44.611 1.00 0.00 H new ATOM 0 HB2 ARG A 35 137.414 97.796 43.495 1.00 0.00 H new ATOM 0 HB3 ARG A 35 136.934 97.912 45.177 1.00 0.00 H new ATOM 0 HG2 ARG A 35 138.679 99.482 45.699 1.00 0.00 H new ATOM 0 HG3 ARG A 35 139.608 99.067 44.272 1.00 0.00 H new ATOM 0 HD2 ARG A 35 136.814 100.232 43.945 1.00 0.00 H new ATOM 0 HD3 ARG A 35 138.158 101.303 44.290 1.00 0.00 H new ATOM 0 HE ARG A 35 139.162 99.743 42.192 1.00 0.00 H new ATOM 0 HH11 ARG A 35 138.611 99.938 40.007 1.00 0.00 H new ATOM 0 HH12 ARG A 35 137.335 101.060 39.524 1.00 0.00 H new ATOM 0 HH21 ARG A 35 136.524 101.945 42.809 1.00 0.00 H new ATOM 0 HH22 ARG A 35 136.163 102.186 41.096 1.00 0.00 H new ATOM 541 N ARG A 36 138.390 95.020 46.568 1.00 0.00 N ATOM 542 CA ARG A 36 138.169 94.540 47.956 1.00 0.00 C ATOM 543 C ARG A 36 137.116 95.443 48.568 1.00 0.00 C ATOM 544 O ARG A 36 137.356 96.614 48.774 1.00 0.00 O ATOM 545 CB ARG A 36 139.469 94.624 48.747 1.00 0.00 C ATOM 546 CG ARG A 36 139.529 93.438 49.691 1.00 0.00 C ATOM 547 CD ARG A 36 139.704 92.167 48.865 1.00 0.00 C ATOM 548 NE ARG A 36 140.763 91.335 49.486 1.00 0.00 N ATOM 549 CZ ARG A 36 141.906 91.149 48.877 1.00 0.00 C ATOM 550 NH1 ARG A 36 142.884 90.579 49.525 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 142.065 91.503 47.623 1.00 0.00 N ATOM 0 H ARG A 36 138.424 94.286 45.860 1.00 0.00 H new ATOM 0 HA ARG A 36 137.841 93.501 47.969 1.00 0.00 H new ATOM 0 HB2 ARG A 36 140.325 94.616 48.072 1.00 0.00 H new ATOM 0 HB3 ARG A 36 139.513 95.558 49.307 1.00 0.00 H new ATOM 0 HG2 ARG A 36 140.358 93.552 50.390 1.00 0.00 H new ATOM 0 HG3 ARG A 36 138.617 93.381 50.285 1.00 0.00 H new ATOM 0 HD2 ARG A 36 138.766 91.613 48.821 1.00 0.00 H new ATOM 0 HD3 ARG A 36 139.974 92.418 47.839 1.00 0.00 H new ATOM 0 HE ARG A 36 140.599 90.904 50.396 1.00 0.00 H new ATOM 0 HH11 ARG A 36 142.752 90.285 50.493 1.00 0.00 H new ATOM 0 HH12 ARG A 36 143.781 90.427 49.064 1.00 0.00 H new ATOM 0 HH21 ARG A 36 141.292 91.929 47.111 1.00 0.00 H new ATOM 0 HH22 ARG A 36 142.961 91.352 47.160 1.00 0.00 H new ATOM 565 N GLY A 37 135.920 94.979 48.822 1.00 0.00 N ATOM 566 CA GLY A 37 134.933 95.962 49.346 1.00 0.00 C ATOM 567 C GLY A 37 133.550 95.523 48.883 1.00 0.00 C ATOM 568 O GLY A 37 132.714 95.112 49.662 1.00 0.00 O ATOM 0 H GLY A 37 135.598 94.019 48.698 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.976 96.004 50.434 1.00 0.00 H new ATOM 0 HA3 GLY A 37 135.159 96.963 48.979 1.00 0.00 H new ATOM 572 N ILE A 38 133.323 95.593 47.606 1.00 0.00 N ATOM 573 CA ILE A 38 132.019 95.168 47.046 1.00 0.00 C ATOM 574 C ILE A 38 131.869 93.657 47.204 1.00 0.00 C ATOM 575 O ILE A 38 130.831 93.154 47.569 1.00 0.00 O ATOM 576 CB ILE A 38 132.005 95.516 45.556 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.594 95.354 44.997 1.00 0.00 C ATOM 578 CG2 ILE A 38 132.973 94.602 44.780 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.618 95.592 43.483 1.00 0.00 C ATOM 0 H ILE A 38 133.996 95.931 46.918 1.00 0.00 H new ATOM 0 HA ILE A 38 131.203 95.670 47.566 1.00 0.00 H new ATOM 0 HB ILE A 38 132.326 96.551 45.440 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.217 94.354 45.214 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.917 96.061 45.477 1.00 0.00 H new ATOM 0 HG21 ILE A 38 132.951 94.863 43.722 1.00 0.00 H new ATOM 0 HG22 ILE A 38 133.984 94.733 45.165 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.670 93.562 44.904 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.612 95.477 43.081 1.00 0.00 H new ATOM 0 HD12 ILE A 38 130.977 96.601 43.279 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.282 94.868 43.011 1.00 0.00 H new ATOM 591 N VAL A 39 132.907 92.944 46.895 1.00 0.00 N ATOM 592 CA VAL A 39 132.879 91.473 46.962 1.00 0.00 C ATOM 593 C VAL A 39 132.708 90.993 48.398 1.00 0.00 C ATOM 594 O VAL A 39 131.752 90.324 48.732 1.00 0.00 O ATOM 595 CB VAL A 39 134.228 91.006 46.421 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.436 89.526 46.720 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.290 91.262 44.913 1.00 0.00 C ATOM 0 H VAL A 39 133.798 93.336 46.590 1.00 0.00 H new ATOM 0 HA VAL A 39 132.043 91.073 46.388 1.00 0.00 H new ATOM 0 HB VAL A 39 135.024 91.567 46.911 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.402 89.208 46.328 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.411 89.366 47.798 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.644 88.945 46.248 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.253 90.929 44.527 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.490 90.712 44.417 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.171 92.328 44.720 1.00 0.00 H new ATOM 607 N GLU A 40 133.634 91.314 49.239 1.00 0.00 N ATOM 608 CA GLU A 40 133.541 90.859 50.642 1.00 0.00 C ATOM 609 C GLU A 40 132.165 91.229 51.215 1.00 0.00 C ATOM 610 O GLU A 40 131.677 90.596 52.126 1.00 0.00 O ATOM 611 CB GLU A 40 134.659 91.514 51.469 1.00 0.00 C ATOM 612 CG GLU A 40 135.878 91.808 50.583 1.00 0.00 C ATOM 613 CD GLU A 40 137.058 92.200 51.475 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.781 91.310 51.892 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.220 93.382 51.724 1.00 0.00 O1- ATOM 0 H GLU A 40 134.456 91.875 49.016 1.00 0.00 H new ATOM 0 HA GLU A 40 133.658 89.776 50.684 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.295 92.439 51.916 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.947 90.856 52.288 1.00 0.00 H new ATOM 0 HG2 GLU A 40 136.131 90.931 49.987 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.650 92.613 49.884 1.00 0.00 H new ATOM 622 N GLN A 41 131.543 92.256 50.696 1.00 0.00 N ATOM 623 CA GLN A 41 130.202 92.668 51.221 1.00 0.00 C ATOM 624 C GLN A 41 129.083 92.024 50.394 1.00 0.00 C ATOM 625 O GLN A 41 128.267 91.284 50.907 1.00 0.00 O ATOM 626 CB GLN A 41 130.074 94.191 51.139 1.00 0.00 C ATOM 627 CG GLN A 41 128.882 94.651 51.982 1.00 0.00 C ATOM 628 CD GLN A 41 128.832 96.180 52.007 1.00 0.00 C ATOM 629 OE1 GLN A 41 129.056 96.789 53.035 1.00 0.00 O ATOM 630 NE2 GLN A 41 128.548 96.830 50.912 1.00 0.00 N ATOM 0 H GLN A 41 131.903 92.828 49.932 1.00 0.00 H new ATOM 0 HA GLN A 41 130.112 92.339 52.256 1.00 0.00 H new ATOM 0 HB2 GLN A 41 130.989 94.663 51.497 1.00 0.00 H new ATOM 0 HB3 GLN A 41 129.940 94.500 50.102 1.00 0.00 H new ATOM 0 HG2 GLN A 41 127.955 94.253 51.568 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.970 94.263 52.997 1.00 0.00 H new ATOM 0 HE21 GLN A 41 128.360 96.319 50.050 1.00 0.00 H new ATOM 0 HE22 GLN A 41 128.514 97.849 50.918 1.00 0.00 H new ATOM 639 N CYS A 42 129.023 92.318 49.123 1.00 0.00 N ATOM 640 CA CYS A 42 127.942 91.743 48.267 1.00 0.00 C ATOM 641 C CYS A 42 127.985 90.215 48.298 1.00 0.00 C ATOM 642 O CYS A 42 126.960 89.561 48.264 1.00 0.00 O ATOM 643 CB CYS A 42 128.125 92.216 46.821 1.00 0.00 C ATOM 644 SG CYS A 42 127.760 93.986 46.721 1.00 0.00 S ATOM 0 H CYS A 42 129.677 92.933 48.638 1.00 0.00 H new ATOM 0 HA CYS A 42 126.980 92.081 48.654 1.00 0.00 H new ATOM 0 HB2 CYS A 42 129.146 92.024 46.490 1.00 0.00 H new ATOM 0 HB3 CYS A 42 127.464 91.658 46.157 1.00 0.00 H new ATOM 649 N CYS A 43 129.152 89.631 48.337 1.00 0.00 N ATOM 650 CA CYS A 43 129.228 88.141 48.340 1.00 0.00 C ATOM 651 C CYS A 43 128.964 87.592 49.748 1.00 0.00 C ATOM 652 O CYS A 43 128.313 86.580 49.910 1.00 0.00 O ATOM 653 CB CYS A 43 130.610 87.694 47.848 1.00 0.00 C ATOM 654 SG CYS A 43 130.659 85.886 47.704 1.00 0.00 S ATOM 0 H CYS A 43 130.049 90.116 48.367 1.00 0.00 H new ATOM 0 HA CYS A 43 128.464 87.747 47.670 1.00 0.00 H new ATOM 0 HB2 CYS A 43 130.827 88.150 46.882 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.380 88.033 48.541 1.00 0.00 H new ATOM 659 N HIS A 44 129.452 88.246 50.770 1.00 0.00 N ATOM 660 CA HIS A 44 129.209 87.742 52.159 1.00 0.00 C ATOM 661 C HIS A 44 127.879 88.300 52.673 1.00 0.00 C ATOM 662 O HIS A 44 127.313 87.804 53.627 1.00 0.00 O ATOM 663 CB HIS A 44 130.343 88.201 53.084 1.00 0.00 C ATOM 664 CG HIS A 44 130.327 87.384 54.348 1.00 0.00 C ATOM 665 ND1 HIS A 44 129.873 87.898 55.557 1.00 0.00 N ATOM 666 CD2 HIS A 44 130.702 86.089 54.609 1.00 0.00 C ATOM 667 CE1 HIS A 44 129.985 86.924 56.479 1.00 0.00 C ATOM 668 NE2 HIS A 44 130.484 85.805 55.952 1.00 0.00 N ATOM 0 H HIS A 44 130.004 89.101 50.707 1.00 0.00 H new ATOM 0 HA HIS A 44 129.173 86.653 52.147 1.00 0.00 H new ATOM 0 HB2 HIS A 44 131.303 88.091 52.580 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.227 89.258 53.321 1.00 0.00 H new ATOM 0 HD2 HIS A 44 131.104 85.398 53.883 1.00 0.00 H new ATOM 0 HE1 HIS A 44 129.706 87.035 57.516 1.00 0.00 H new ATOM 0 HE2 HIS A 44 130.667 84.925 56.434 1.00 0.00 H new ATOM 677 N SER A 45 127.378 89.330 52.043 1.00 0.00 N ATOM 678 CA SER A 45 126.083 89.937 52.482 1.00 0.00 C ATOM 679 C SER A 45 125.269 90.325 51.247 1.00 0.00 C ATOM 680 O SER A 45 125.554 89.897 50.146 1.00 0.00 O ATOM 681 CB SER A 45 126.364 91.185 53.320 1.00 0.00 C ATOM 682 OG SER A 45 125.187 91.551 54.029 1.00 0.00 O ATOM 0 H SER A 45 127.812 89.781 51.238 1.00 0.00 H new ATOM 0 HA SER A 45 125.523 89.218 53.081 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.178 90.992 54.019 1.00 0.00 H new ATOM 0 HB3 SER A 45 126.684 92.004 52.676 1.00 0.00 H new ATOM 0 HG SER A 45 125.365 92.350 54.568 1.00 0.00 H new ATOM 688 N ILE A 46 124.257 91.133 51.415 1.00 0.00 N ATOM 689 CA ILE A 46 123.435 91.542 50.243 1.00 0.00 C ATOM 690 C ILE A 46 124.197 92.597 49.432 1.00 0.00 C ATOM 691 O ILE A 46 125.194 93.129 49.878 1.00 0.00 O ATOM 692 CB ILE A 46 122.095 92.117 50.728 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.324 91.059 51.544 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.260 92.545 49.523 1.00 0.00 C ATOM 695 CD1 ILE A 46 120.498 90.159 50.614 1.00 0.00 C ATOM 0 H ILE A 46 123.966 91.526 52.310 1.00 0.00 H new ATOM 0 HA ILE A 46 123.240 90.675 49.611 1.00 0.00 H new ATOM 0 HB ILE A 46 122.288 92.980 51.365 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.025 90.453 52.118 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.667 91.552 52.261 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.309 92.953 49.866 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.799 93.306 48.959 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.075 91.682 48.883 1.00 0.00 H new ATOM 0 HD11 ILE A 46 119.961 89.419 51.207 1.00 0.00 H new ATOM 0 HD12 ILE A 46 119.784 90.767 50.059 1.00 0.00 H new ATOM 0 HD13 ILE A 46 121.162 89.651 49.915 1.00 0.00 H new ATOM 707 N CYS A 47 123.742 92.888 48.233 1.00 0.00 N ATOM 708 CA CYS A 47 124.439 93.896 47.368 1.00 0.00 C ATOM 709 C CYS A 47 123.484 95.042 47.007 1.00 0.00 C ATOM 710 O CYS A 47 122.327 94.829 46.697 1.00 0.00 O ATOM 711 CB CYS A 47 124.900 93.198 46.081 1.00 0.00 C ATOM 712 SG CYS A 47 126.280 94.114 45.350 1.00 0.00 S ATOM 0 H CYS A 47 122.912 92.467 47.815 1.00 0.00 H new ATOM 0 HA CYS A 47 125.292 94.308 47.907 1.00 0.00 H new ATOM 0 HB2 CYS A 47 125.206 92.175 46.300 1.00 0.00 H new ATOM 0 HB3 CYS A 47 124.074 93.139 45.372 1.00 0.00 H new ATOM 717 N SER A 48 123.973 96.258 47.023 1.00 0.00 N ATOM 718 CA SER A 48 123.121 97.434 46.660 1.00 0.00 C ATOM 719 C SER A 48 123.456 97.844 45.223 1.00 0.00 C ATOM 720 O SER A 48 124.559 97.656 44.763 1.00 0.00 O ATOM 721 CB SER A 48 123.420 98.595 47.613 1.00 0.00 C ATOM 722 OG SER A 48 122.626 98.454 48.784 1.00 0.00 O ATOM 0 H SER A 48 124.934 96.488 47.274 1.00 0.00 H new ATOM 0 HA SER A 48 122.065 97.176 46.739 1.00 0.00 H new ATOM 0 HB2 SER A 48 124.478 98.603 47.875 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.205 99.546 47.126 1.00 0.00 H new ATOM 0 HG SER A 48 122.815 99.194 49.398 1.00 0.00 H new ATOM 728 N LEU A 49 122.513 98.403 44.521 1.00 0.00 N ATOM 729 CA LEU A 49 122.755 98.835 43.128 1.00 0.00 C ATOM 730 C LEU A 49 123.429 100.203 43.168 1.00 0.00 C ATOM 731 O LEU A 49 124.317 100.515 42.401 1.00 0.00 O ATOM 732 CB LEU A 49 121.381 98.873 42.421 1.00 0.00 C ATOM 733 CG LEU A 49 121.299 99.978 41.366 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.335 99.738 40.261 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.898 99.968 40.761 1.00 0.00 C ATOM 0 H LEU A 49 121.569 98.580 44.865 1.00 0.00 H new ATOM 0 HA LEU A 49 123.411 98.159 42.579 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.191 97.909 41.949 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.597 99.024 43.163 1.00 0.00 H new ATOM 0 HG LEU A 49 121.505 100.942 41.831 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.265 100.532 39.518 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.335 99.734 40.694 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.143 98.777 39.784 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.822 100.751 40.006 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.708 98.999 40.300 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.162 100.147 41.545 1.00 0.00 H new ATOM 747 N GLU A 50 122.999 101.008 44.079 1.00 0.00 N ATOM 748 CA GLU A 50 123.571 102.364 44.231 1.00 0.00 C ATOM 749 C GLU A 50 125.050 102.225 44.489 1.00 0.00 C ATOM 750 O GLU A 50 125.849 103.106 44.247 1.00 0.00 O ATOM 751 CB GLU A 50 122.894 102.997 45.430 1.00 0.00 C ATOM 752 CG GLU A 50 121.405 103.144 45.137 1.00 0.00 C ATOM 753 CD GLU A 50 120.771 104.111 46.139 1.00 0.00 C ATOM 754 OE1 GLU A 50 121.156 105.267 46.139 1.00 0.00 O ATOM 755 OE2 GLU A 50 119.912 103.676 46.891 1.00 0.00 O1- ATOM 0 H GLU A 50 122.258 100.781 44.742 1.00 0.00 H new ATOM 0 HA GLU A 50 123.418 102.975 43.342 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.045 102.381 46.316 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.335 103.972 45.641 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.260 103.512 44.121 1.00 0.00 H new ATOM 0 HG3 GLU A 50 120.916 102.172 45.197 1.00 0.00 H new ATOM 762 N GLN A 51 125.382 101.102 44.993 1.00 0.00 N ATOM 763 CA GLN A 51 126.787 100.784 45.324 1.00 0.00 C ATOM 764 C GLN A 51 127.547 100.371 44.053 1.00 0.00 C ATOM 765 O GLN A 51 128.748 100.498 43.980 1.00 0.00 O ATOM 766 CB GLN A 51 126.766 99.643 46.340 1.00 0.00 C ATOM 767 CG GLN A 51 128.183 99.276 46.782 1.00 0.00 C ATOM 768 CD GLN A 51 128.719 100.344 47.738 1.00 0.00 C ATOM 769 OE1 GLN A 51 128.764 100.139 48.934 1.00 0.00 O ATOM 770 NE2 GLN A 51 129.129 101.485 47.257 1.00 0.00 N ATOM 0 H GLN A 51 124.721 100.354 45.202 1.00 0.00 H new ATOM 0 HA GLN A 51 127.297 101.652 45.742 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.175 99.935 47.208 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.280 98.771 45.902 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.180 98.303 47.273 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.835 99.192 45.913 1.00 0.00 H new ATOM 0 HE21 GLN A 51 129.092 101.658 46.252 1.00 0.00 H new ATOM 0 HE22 GLN A 51 129.487 102.204 47.885 1.00 0.00 H new ATOM 779 N LEU A 52 126.869 99.883 43.047 1.00 0.00 N ATOM 780 CA LEU A 52 127.577 99.478 41.801 1.00 0.00 C ATOM 781 C LEU A 52 127.747 100.703 40.901 1.00 0.00 C ATOM 782 O LEU A 52 128.661 100.800 40.113 1.00 0.00 O ATOM 783 CB LEU A 52 126.703 98.471 41.042 1.00 0.00 C ATOM 784 CG LEU A 52 126.210 97.368 41.941 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.259 96.484 41.135 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.372 96.540 42.435 1.00 0.00 C ATOM 0 H LEU A 52 125.858 99.748 43.036 1.00 0.00 H new ATOM 0 HA LEU A 52 128.545 99.046 42.056 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.851 98.989 40.602 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.275 98.041 40.219 1.00 0.00 H new ATOM 0 HG LEU A 52 125.697 97.794 42.803 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.889 95.677 41.767 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.419 97.082 40.781 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.790 96.062 40.282 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.003 95.746 43.084 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.893 96.101 41.585 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.060 97.175 42.994 1.00 0.00 H new ATOM 798 N GLU A 53 126.820 101.607 40.984 1.00 0.00 N ATOM 799 CA GLU A 53 126.843 102.802 40.117 1.00 0.00 C ATOM 800 C GLU A 53 128.089 103.658 40.371 1.00 0.00 C ATOM 801 O GLU A 53 128.486 104.441 39.530 1.00 0.00 O ATOM 802 CB GLU A 53 125.554 103.590 40.407 1.00 0.00 C ATOM 803 CG GLU A 53 124.474 103.244 39.369 1.00 0.00 C ATOM 804 CD GLU A 53 123.202 104.037 39.673 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.358 103.514 40.383 1.00 0.00 O ATOM 806 OE2 GLU A 53 123.092 105.152 39.191 1.00 0.00 O1- ATOM 0 H GLU A 53 126.032 101.564 41.631 1.00 0.00 H new ATOM 0 HA GLU A 53 126.888 102.511 39.068 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.194 103.356 41.409 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.761 104.660 40.384 1.00 0.00 H new ATOM 0 HG2 GLU A 53 124.830 103.478 38.366 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.263 102.175 39.391 1.00 0.00 H new ATOM 813 N ASN A 54 128.715 103.520 41.499 1.00 0.00 N ATOM 814 CA ASN A 54 129.940 104.334 41.765 1.00 0.00 C ATOM 815 C ASN A 54 131.157 103.579 41.239 1.00 0.00 C ATOM 816 O ASN A 54 132.264 104.080 41.223 1.00 0.00 O ATOM 817 CB ASN A 54 130.083 104.589 43.266 1.00 0.00 C ATOM 818 CG ASN A 54 130.407 103.298 44.001 1.00 0.00 C ATOM 819 OD1 ASN A 54 131.508 102.790 43.912 1.00 0.00 O ATOM 820 ND2 ASN A 54 129.489 102.745 44.739 1.00 0.00 N ATOM 0 H ASN A 54 128.439 102.885 42.248 1.00 0.00 H new ATOM 0 HA ASN A 54 129.861 105.296 41.259 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.871 105.321 43.442 1.00 0.00 H new ATOM 0 HB3 ASN A 54 129.159 105.014 43.658 1.00 0.00 H new ATOM 0 HD21 ASN A 54 129.692 101.883 45.245 1.00 0.00 H new ATOM 0 HD22 ASN A 54 128.566 103.174 44.812 1.00 0.00 H new ATOM 827 N TYR A 55 130.951 102.361 40.826 1.00 0.00 N ATOM 828 CA TYR A 55 132.081 101.531 40.315 1.00 0.00 C ATOM 829 C TYR A 55 132.327 101.857 38.841 1.00 0.00 C ATOM 830 O TYR A 55 133.298 101.430 38.246 1.00 0.00 O ATOM 831 CB TYR A 55 131.747 100.038 40.465 1.00 0.00 C ATOM 832 CG TYR A 55 131.887 99.660 41.907 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.196 100.364 42.880 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.756 98.653 42.268 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.377 100.060 44.219 1.00 0.00 C ATOM 836 CE2 TYR A 55 132.930 98.334 43.608 1.00 0.00 C ATOM 837 CZ TYR A 55 132.244 99.043 44.592 1.00 0.00 C ATOM 838 OH TYR A 55 132.431 98.755 45.928 1.00 0.00 O ATOM 0 H TYR A 55 130.042 101.899 40.820 1.00 0.00 H new ATOM 0 HA TYR A 55 132.978 101.754 40.892 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.732 99.841 40.119 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.416 99.437 39.850 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.515 101.152 42.594 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.301 98.112 41.509 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.842 100.616 44.975 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.599 97.534 43.889 1.00 0.00 H new ATOM 0 HH TYR A 55 131.613 98.965 46.425 1.00 0.00 H new ATOM 848 N CYS A 56 131.438 102.603 38.249 1.00 0.00 N ATOM 849 CA CYS A 56 131.568 102.975 36.808 1.00 0.00 C ATOM 850 C CYS A 56 132.329 104.308 36.692 1.00 0.00 C ATOM 851 O CYS A 56 131.866 105.329 37.158 1.00 0.00 O ATOM 852 CB CYS A 56 130.163 103.108 36.188 1.00 0.00 C ATOM 853 SG CYS A 56 128.964 102.222 37.216 1.00 0.00 S ATOM 0 H CYS A 56 130.610 102.979 38.710 1.00 0.00 H new ATOM 0 HA CYS A 56 132.121 102.203 36.273 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.886 104.159 36.111 1.00 0.00 H new ATOM 0 HB3 CYS A 56 130.160 102.703 35.176 1.00 0.00 H new ATOM 858 N ASN A 57 133.490 104.307 36.094 1.00 0.00 N ATOM 859 CA ASN A 57 134.268 105.578 35.976 1.00 0.00 C ATOM 860 C ASN A 57 134.473 106.177 37.371 1.00 0.00 C ATOM 861 O ASN A 57 135.189 107.158 37.475 1.00 0.00 O ATOM 862 CB ASN A 57 133.508 106.579 35.099 1.00 0.00 C ATOM 863 CG ASN A 57 134.406 107.781 34.797 1.00 0.00 C ATOM 864 OD1 ASN A 57 135.536 107.838 35.240 1.00 0.00 O ATOM 865 ND2 ASN A 57 133.950 108.750 34.052 1.00 0.00 N ATOM 866 OXT ASN A 57 133.909 105.641 38.311 1.00 0.00 O ATOM 0 H ASN A 57 133.933 103.486 35.683 1.00 0.00 H new ATOM 0 HA ASN A 57 135.235 105.366 35.519 1.00 0.00 H new ATOM 0 HB2 ASN A 57 133.198 106.101 34.170 1.00 0.00 H new ATOM 0 HB3 ASN A 57 132.601 106.908 35.607 1.00 0.00 H new ATOM 0 HD21 ASN A 57 134.542 109.554 33.842 1.00 0.00 H new ATOM 0 HD22 ASN A 57 133.002 108.704 33.679 1.00 0.00 H new