USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=10 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 41 GLN : amide:sc= 0 K(o=-1.4,f=0.95) USER MOD Set 1.2: A 51 GLN : amide:sc= -1.37! K(o=-1.4!,f=0.95) USER MOD Single : A 1 PHE N :NH3+ -140:sc= 0.949 (180deg=0.273) USER MOD Single : A 3 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.61) USER MOD Single : A 4 GLN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 5 HIS : no HE2:sc= -2.26! C(o=-2.3!,f=-4.2!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) 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= -0.402 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.614 K(o=-0.61,f=-4!) USER MOD Single : A 45 SER OG : rot 23:sc= 0.00568 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.953 K(o=-0.95,f=-0.31) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.611 USER MOD Single : A 57 ASN : amide:sc= -0.39 K(o=-0.39,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.945 92.259 39.412 1.00 0.00 N ATOM 2 CA PHE A 1 120.288 91.420 40.607 1.00 0.00 C ATOM 3 C PHE A 1 119.463 91.900 41.799 1.00 0.00 C ATOM 4 O PHE A 1 119.873 92.805 42.479 1.00 0.00 O ATOM 5 CB PHE A 1 121.788 91.587 40.951 1.00 0.00 C ATOM 6 CG PHE A 1 122.172 93.060 40.908 1.00 0.00 C ATOM 7 CD1 PHE A 1 121.782 93.947 41.925 1.00 0.00 C ATOM 8 CD2 PHE A 1 122.899 93.545 39.827 1.00 0.00 C ATOM 9 CE1 PHE A 1 122.120 95.306 41.841 1.00 0.00 C ATOM 10 CE2 PHE A 1 123.236 94.908 39.753 1.00 0.00 C ATOM 11 CZ PHE A 1 122.843 95.776 40.751 1.00 0.00 C ATOM 0 H1 PHE A 1 119.895 91.655 38.567 1.00 0.00 H new ATOM 0 H2 PHE A 1 119.025 92.719 39.563 1.00 0.00 H new ATOM 0 H3 PHE A 1 120.677 92.985 39.276 1.00 0.00 H new ATOM 0 HA PHE A 1 120.075 90.374 40.387 1.00 0.00 H new ATOM 0 HB2 PHE A 1 121.990 91.179 41.941 1.00 0.00 H new ATOM 0 HB3 PHE A 1 122.397 91.023 40.244 1.00 0.00 H new ATOM 0 HD1 PHE A 1 121.221 93.582 42.773 1.00 0.00 H new ATOM 0 HD2 PHE A 1 123.206 92.872 39.040 1.00 0.00 H new ATOM 0 HE1 PHE A 1 121.818 95.987 42.623 1.00 0.00 H new ATOM 0 HE2 PHE A 1 123.804 95.277 38.912 1.00 0.00 H new ATOM 0 HZ PHE A 1 123.098 96.823 40.685 1.00 0.00 H new ATOM 23 N VAL A 2 118.281 91.387 42.062 1.00 0.00 N ATOM 24 CA VAL A 2 117.542 91.981 43.209 1.00 0.00 C ATOM 25 C VAL A 2 118.415 91.888 44.463 1.00 0.00 C ATOM 26 O VAL A 2 119.434 91.227 44.470 1.00 0.00 O ATOM 27 CB VAL A 2 116.231 91.217 43.427 1.00 0.00 C ATOM 28 CG1 VAL A 2 116.541 89.792 43.894 1.00 0.00 C ATOM 29 CG2 VAL A 2 115.385 91.930 44.490 1.00 0.00 C ATOM 0 H VAL A 2 117.822 90.626 41.561 1.00 0.00 H new ATOM 0 HA VAL A 2 117.311 93.026 43.001 1.00 0.00 H new ATOM 0 HB VAL A 2 115.676 91.181 42.489 1.00 0.00 H new ATOM 0 HG11 VAL A 2 115.609 89.249 44.049 1.00 0.00 H new ATOM 0 HG12 VAL A 2 117.136 89.282 43.136 1.00 0.00 H new ATOM 0 HG13 VAL A 2 117.099 89.829 44.830 1.00 0.00 H new ATOM 0 HG21 VAL A 2 114.454 91.383 44.641 1.00 0.00 H new ATOM 0 HG22 VAL A 2 115.938 91.971 45.428 1.00 0.00 H new ATOM 0 HG23 VAL A 2 115.160 92.943 44.157 1.00 0.00 H new ATOM 39 N ASN A 3 118.032 92.543 45.521 1.00 0.00 N ATOM 40 CA ASN A 3 118.851 92.491 46.766 1.00 0.00 C ATOM 41 C ASN A 3 119.181 91.029 47.099 1.00 0.00 C ATOM 42 O ASN A 3 118.321 90.265 47.485 1.00 0.00 O ATOM 43 CB ASN A 3 118.064 93.125 47.930 1.00 0.00 C ATOM 44 CG ASN A 3 117.114 94.194 47.386 1.00 0.00 C ATOM 45 OD1 ASN A 3 115.944 93.937 47.184 1.00 0.00 O ATOM 46 ND2 ASN A 3 117.572 95.389 47.139 1.00 0.00 N ATOM 0 H ASN A 3 117.188 93.113 45.580 1.00 0.00 H new ATOM 0 HA ASN A 3 119.777 93.046 46.616 1.00 0.00 H new ATOM 0 HB2 ASN A 3 117.499 92.358 48.460 1.00 0.00 H new ATOM 0 HB3 ASN A 3 118.753 93.568 48.649 1.00 0.00 H new ATOM 0 HD21 ASN A 3 116.948 96.109 46.776 1.00 0.00 H new ATOM 0 HD22 ASN A 3 118.555 95.604 47.309 1.00 0.00 H new ATOM 53 N GLN A 4 120.419 90.635 46.958 1.00 0.00 N ATOM 54 CA GLN A 4 120.783 89.226 47.277 1.00 0.00 C ATOM 55 C GLN A 4 122.307 89.069 47.294 1.00 0.00 C ATOM 56 O GLN A 4 123.041 90.035 47.340 1.00 0.00 O ATOM 57 CB GLN A 4 120.177 88.286 46.227 1.00 0.00 C ATOM 58 CG GLN A 4 120.897 88.468 44.886 1.00 0.00 C ATOM 59 CD GLN A 4 120.058 87.852 43.763 1.00 0.00 C ATOM 60 OE1 GLN A 4 119.767 86.673 43.783 1.00 0.00 O ATOM 61 NE2 GLN A 4 119.657 88.608 42.779 1.00 0.00 N ATOM 0 H GLN A 4 121.188 91.224 46.638 1.00 0.00 H new ATOM 0 HA GLN A 4 120.389 88.970 48.261 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.264 87.251 46.559 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.114 88.495 46.110 1.00 0.00 H new ATOM 0 HG2 GLN A 4 121.061 89.528 44.691 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.878 87.995 44.922 1.00 0.00 H new ATOM 0 HE21 GLN A 4 119.902 89.598 42.764 1.00 0.00 H new ATOM 0 HE22 GLN A 4 119.098 88.209 42.025 1.00 0.00 H new ATOM 70 N HIS A 5 122.785 87.851 47.260 1.00 0.00 N ATOM 71 CA HIS A 5 124.261 87.616 47.278 1.00 0.00 C ATOM 72 C HIS A 5 124.782 87.493 45.844 1.00 0.00 C ATOM 73 O HIS A 5 124.231 86.777 45.031 1.00 0.00 O ATOM 74 CB HIS A 5 124.560 86.322 48.037 1.00 0.00 C ATOM 75 CG HIS A 5 123.840 85.175 47.382 1.00 0.00 C ATOM 76 ND1 HIS A 5 124.313 84.567 46.228 1.00 0.00 N ATOM 77 CD2 HIS A 5 122.683 84.510 47.709 1.00 0.00 C ATOM 78 CE1 HIS A 5 123.452 83.583 45.905 1.00 0.00 C ATOM 79 NE2 HIS A 5 122.445 83.508 46.775 1.00 0.00 N ATOM 0 H HIS A 5 122.215 87.006 47.220 1.00 0.00 H new ATOM 0 HA HIS A 5 124.753 88.454 47.771 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.634 86.133 48.046 1.00 0.00 H new ATOM 0 HB3 HIS A 5 124.245 86.417 49.076 1.00 0.00 H new ATOM 0 HD1 HIS A 5 125.159 84.819 45.717 1.00 0.00 H new ATOM 0 HD2 HIS A 5 122.056 84.731 48.560 1.00 0.00 H new ATOM 0 HE1 HIS A 5 123.564 82.935 45.048 1.00 0.00 H new ATOM 88 N LEU A 6 125.846 88.189 45.532 1.00 0.00 N ATOM 89 CA LEU A 6 126.434 88.135 44.155 1.00 0.00 C ATOM 90 C LEU A 6 127.943 87.854 44.279 1.00 0.00 C ATOM 91 O LEU A 6 128.655 88.535 44.991 1.00 0.00 O ATOM 92 CB LEU A 6 126.199 89.503 43.457 1.00 0.00 C ATOM 93 CG LEU A 6 125.197 89.402 42.285 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.926 88.627 42.699 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.816 90.827 41.846 1.00 0.00 C ATOM 0 H LEU A 6 126.340 88.801 46.181 1.00 0.00 H new ATOM 0 HA LEU A 6 125.966 87.347 43.565 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.828 90.222 44.188 1.00 0.00 H new ATOM 0 HB3 LEU A 6 127.150 89.887 43.087 1.00 0.00 H new ATOM 0 HG LEU A 6 125.664 88.859 41.463 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.241 88.573 41.853 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.200 87.618 43.009 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.440 89.142 43.528 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.108 90.776 41.018 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.358 91.355 42.682 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.711 91.361 41.526 1.00 0.00 H new ATOM 107 N CYS A 7 128.432 86.856 43.582 1.00 0.00 N ATOM 108 CA CYS A 7 129.891 86.520 43.637 1.00 0.00 C ATOM 109 C CYS A 7 130.386 86.245 42.217 1.00 0.00 C ATOM 110 O CYS A 7 129.644 86.367 41.263 1.00 0.00 O ATOM 111 CB CYS A 7 130.104 85.274 44.501 1.00 0.00 C ATOM 112 SG CYS A 7 129.340 85.523 46.124 1.00 0.00 S ATOM 0 H CYS A 7 127.878 86.255 42.972 1.00 0.00 H new ATOM 0 HA CYS A 7 130.444 87.353 44.071 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.669 84.402 44.013 1.00 0.00 H new ATOM 0 HB3 CYS A 7 131.170 85.076 44.616 1.00 0.00 H new ATOM 117 N GLY A 8 131.632 85.879 42.059 1.00 0.00 N ATOM 118 CA GLY A 8 132.159 85.605 40.687 1.00 0.00 C ATOM 119 C GLY A 8 131.732 86.735 39.747 1.00 0.00 C ATOM 120 O GLY A 8 131.598 87.870 40.156 1.00 0.00 O ATOM 0 H GLY A 8 132.305 85.758 42.816 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.246 85.527 40.711 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.779 84.650 40.323 1.00 0.00 H new ATOM 124 N SER A 9 131.505 86.441 38.494 1.00 0.00 N ATOM 125 CA SER A 9 131.072 87.518 37.558 1.00 0.00 C ATOM 126 C SER A 9 129.575 87.772 37.744 1.00 0.00 C ATOM 127 O SER A 9 129.060 88.783 37.314 1.00 0.00 O ATOM 128 CB SER A 9 131.371 87.121 36.113 1.00 0.00 C ATOM 129 OG SER A 9 131.063 85.746 35.925 1.00 0.00 O ATOM 0 H SER A 9 131.599 85.513 38.082 1.00 0.00 H new ATOM 0 HA SER A 9 131.624 88.432 37.778 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.784 87.733 35.428 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.421 87.304 35.884 1.00 0.00 H new ATOM 0 HG SER A 9 131.253 85.492 34.998 1.00 0.00 H new ATOM 135 N HIS A 10 128.861 86.893 38.416 1.00 0.00 N ATOM 136 CA HIS A 10 127.408 87.167 38.644 1.00 0.00 C ATOM 137 C HIS A 10 127.334 88.562 39.240 1.00 0.00 C ATOM 138 O HIS A 10 126.359 89.275 39.110 1.00 0.00 O ATOM 139 CB HIS A 10 126.805 86.159 39.629 1.00 0.00 C ATOM 140 CG HIS A 10 126.607 84.839 38.938 1.00 0.00 C ATOM 141 ND1 HIS A 10 125.345 84.323 38.676 1.00 0.00 N ATOM 142 CD2 HIS A 10 127.498 83.916 38.446 1.00 0.00 C ATOM 143 CE1 HIS A 10 125.511 83.140 38.054 1.00 0.00 C ATOM 144 NE2 HIS A 10 126.803 82.849 37.892 1.00 0.00 N ATOM 0 H HIS A 10 129.214 86.019 38.806 1.00 0.00 H new ATOM 0 HA HIS A 10 126.849 87.085 37.712 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.464 86.036 40.489 1.00 0.00 H new ATOM 0 HB3 HIS A 10 125.852 86.530 40.008 1.00 0.00 H new ATOM 0 HD2 HIS A 10 128.574 84.006 38.484 1.00 0.00 H new ATOM 0 HE1 HIS A 10 124.700 82.506 37.727 1.00 0.00 H new ATOM 0 HE2 HIS A 10 127.198 82.017 37.453 1.00 0.00 H new ATOM 153 N LEU A 11 128.415 88.959 39.853 1.00 0.00 N ATOM 154 CA LEU A 11 128.512 90.295 40.426 1.00 0.00 C ATOM 155 C LEU A 11 128.859 91.236 39.281 1.00 0.00 C ATOM 156 O LEU A 11 128.202 92.231 39.047 1.00 0.00 O ATOM 157 CB LEU A 11 129.628 90.281 41.461 1.00 0.00 C ATOM 158 CG LEU A 11 129.976 91.700 41.869 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.705 92.482 42.217 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.911 91.654 43.073 1.00 0.00 C ATOM 0 H LEU A 11 129.248 88.384 39.974 1.00 0.00 H new ATOM 0 HA LEU A 11 127.587 90.613 40.907 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.317 89.709 42.335 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.508 89.785 41.052 1.00 0.00 H new ATOM 0 HG LEU A 11 130.471 92.205 41.039 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.971 93.498 42.508 1.00 0.00 H new ATOM 0 HD12 LEU A 11 128.048 92.514 41.348 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.191 91.991 43.043 1.00 0.00 H new ATOM 0 HD21 LEU A 11 131.167 92.670 43.374 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.415 91.145 43.899 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.820 91.114 42.807 1.00 0.00 H new ATOM 172 N VAL A 12 129.882 90.897 38.538 1.00 0.00 N ATOM 173 CA VAL A 12 130.274 91.736 37.376 1.00 0.00 C ATOM 174 C VAL A 12 129.042 92.084 36.586 1.00 0.00 C ATOM 175 O VAL A 12 128.855 93.200 36.148 1.00 0.00 O ATOM 176 CB VAL A 12 131.169 90.940 36.414 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.233 91.676 35.056 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.568 90.783 37.003 1.00 0.00 C ATOM 0 H VAL A 12 130.462 90.072 38.690 1.00 0.00 H new ATOM 0 HA VAL A 12 130.791 92.616 37.758 1.00 0.00 H new ATOM 0 HB VAL A 12 130.750 89.945 36.265 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.867 91.116 34.368 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.229 91.758 34.639 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.648 92.673 35.202 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.192 90.217 36.312 1.00 0.00 H new ATOM 0 HG22 VAL A 12 133.007 91.767 37.166 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.505 90.252 37.953 1.00 0.00 H new ATOM 188 N GLU A 13 128.234 91.106 36.335 1.00 0.00 N ATOM 189 CA GLU A 13 127.059 91.348 35.510 1.00 0.00 C ATOM 190 C GLU A 13 126.350 92.585 35.995 1.00 0.00 C ATOM 191 O GLU A 13 126.216 93.549 35.284 1.00 0.00 O ATOM 192 CB GLU A 13 126.114 90.173 35.596 1.00 0.00 C ATOM 193 CG GLU A 13 125.184 90.200 34.384 1.00 0.00 C ATOM 194 CD GLU A 13 124.022 89.229 34.602 1.00 0.00 C ATOM 195 OE1 GLU A 13 124.282 88.042 34.718 1.00 0.00 O ATOM 196 OE2 GLU A 13 122.893 89.686 34.648 1.00 0.00 O1- ATOM 0 H GLU A 13 128.346 90.150 36.672 1.00 0.00 H new ATOM 0 HA GLU A 13 127.376 91.482 34.476 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.675 89.239 35.621 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.534 90.221 36.518 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.803 91.209 34.229 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.735 89.926 33.485 1.00 0.00 H new ATOM 203 N ALA A 14 125.925 92.562 37.227 1.00 0.00 N ATOM 204 CA ALA A 14 125.228 93.735 37.794 1.00 0.00 C ATOM 205 C ALA A 14 125.999 94.975 37.405 1.00 0.00 C ATOM 206 O ALA A 14 125.507 95.809 36.679 1.00 0.00 O ATOM 207 CB ALA A 14 125.214 93.608 39.318 1.00 0.00 C ATOM 0 H ALA A 14 126.034 91.773 37.865 1.00 0.00 H new ATOM 0 HA ALA A 14 124.206 93.794 37.421 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.702 94.468 39.750 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.692 92.694 39.602 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.238 93.571 39.689 1.00 0.00 H new ATOM 213 N LEU A 15 127.221 95.074 37.839 1.00 0.00 N ATOM 214 CA LEU A 15 128.049 96.242 37.464 1.00 0.00 C ATOM 215 C LEU A 15 127.889 96.497 35.966 1.00 0.00 C ATOM 216 O LEU A 15 127.673 97.608 35.539 1.00 0.00 O ATOM 217 CB LEU A 15 129.517 95.933 37.775 1.00 0.00 C ATOM 218 CG LEU A 15 129.731 95.889 39.297 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.906 94.965 39.627 1.00 0.00 C ATOM 220 CD2 LEU A 15 130.028 97.302 39.826 1.00 0.00 C ATOM 0 H LEU A 15 127.682 94.391 38.440 1.00 0.00 H new ATOM 0 HA LEU A 15 127.735 97.123 38.024 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.799 94.978 37.332 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.160 96.693 37.330 1.00 0.00 H new ATOM 0 HG LEU A 15 128.826 95.510 39.771 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.054 94.937 40.706 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.692 93.960 39.264 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.810 95.340 39.146 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.178 97.262 40.905 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.929 97.688 39.348 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.188 97.959 39.601 1.00 0.00 H new ATOM 232 N TYR A 16 127.959 95.464 35.165 1.00 0.00 N ATOM 233 CA TYR A 16 127.776 95.657 33.703 1.00 0.00 C ATOM 234 C TYR A 16 126.419 96.342 33.507 1.00 0.00 C ATOM 235 O TYR A 16 126.305 97.349 32.841 1.00 0.00 O ATOM 236 CB TYR A 16 127.859 94.272 32.982 1.00 0.00 C ATOM 237 CG TYR A 16 126.738 94.016 31.980 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.388 94.991 31.068 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.085 92.779 31.949 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.391 94.758 30.122 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.079 92.535 31.008 1.00 0.00 C ATOM 242 CZ TYR A 16 124.731 93.528 30.090 1.00 0.00 C ATOM 243 OH TYR A 16 123.742 93.294 29.157 1.00 0.00 O ATOM 0 H TYR A 16 128.134 94.504 35.461 1.00 0.00 H new ATOM 0 HA TYR A 16 128.556 96.282 33.269 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.816 94.202 32.464 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.845 93.483 33.734 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.892 95.946 31.087 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.359 92.009 32.655 1.00 0.00 H new ATOM 0 HE1 TYR A 16 125.129 95.530 29.413 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.573 91.581 30.992 1.00 0.00 H new ATOM 0 HH TYR A 16 123.389 92.387 29.275 1.00 0.00 H new ATOM 253 N LEU A 17 125.395 95.793 34.077 1.00 0.00 N ATOM 254 CA LEU A 17 124.041 96.390 33.925 1.00 0.00 C ATOM 255 C LEU A 17 124.065 97.871 34.261 1.00 0.00 C ATOM 256 O LEU A 17 123.743 98.720 33.454 1.00 0.00 O ATOM 257 CB LEU A 17 123.077 95.726 34.903 1.00 0.00 C ATOM 258 CG LEU A 17 123.209 94.222 34.800 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.176 93.541 35.702 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.022 93.758 33.363 1.00 0.00 C ATOM 0 H LEU A 17 125.433 94.949 34.648 1.00 0.00 H new ATOM 0 HA LEU A 17 123.726 96.242 32.892 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.293 96.052 35.921 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.053 96.028 34.682 1.00 0.00 H new ATOM 0 HG LEU A 17 124.212 93.945 35.126 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.279 92.459 35.621 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.340 93.845 36.736 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.173 93.834 35.392 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.121 92.674 33.315 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.031 94.047 33.013 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.779 94.220 32.730 1.00 0.00 H new ATOM 272 N VAL A 18 124.396 98.166 35.477 1.00 0.00 N ATOM 273 CA VAL A 18 124.397 99.563 35.940 1.00 0.00 C ATOM 274 C VAL A 18 125.489 100.370 35.211 1.00 0.00 C ATOM 275 O VAL A 18 125.322 101.542 34.936 1.00 0.00 O ATOM 276 CB VAL A 18 124.564 99.574 37.495 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.629 98.147 38.060 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.818 100.343 37.922 1.00 0.00 C ATOM 0 H VAL A 18 124.671 97.481 36.181 1.00 0.00 H new ATOM 0 HA VAL A 18 123.451 100.049 35.700 1.00 0.00 H new ATOM 0 HB VAL A 18 123.687 100.079 37.899 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.745 98.189 39.143 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.709 97.616 37.814 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.479 97.621 37.624 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.901 100.329 39.009 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.699 99.873 37.485 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.748 101.374 37.577 1.00 0.00 H new ATOM 288 N CYS A 19 126.601 99.764 34.911 1.00 0.00 N ATOM 289 CA CYS A 19 127.701 100.508 34.219 1.00 0.00 C ATOM 290 C CYS A 19 127.523 100.428 32.700 1.00 0.00 C ATOM 291 O CYS A 19 128.236 101.069 31.953 1.00 0.00 O ATOM 292 CB CYS A 19 129.045 99.894 34.615 1.00 0.00 C ATOM 293 SG CYS A 19 129.184 99.890 36.422 1.00 0.00 S ATOM 0 H CYS A 19 126.801 98.784 35.113 1.00 0.00 H new ATOM 0 HA CYS A 19 127.670 101.556 34.518 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.122 98.877 34.229 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.863 100.465 34.176 1.00 0.00 H new ATOM 298 N GLY A 20 126.583 99.653 32.238 1.00 0.00 N ATOM 299 CA GLY A 20 126.361 99.540 30.765 1.00 0.00 C ATOM 300 C GLY A 20 127.703 99.359 30.049 1.00 0.00 C ATOM 301 O GLY A 20 128.592 98.689 30.538 1.00 0.00 O ATOM 0 H GLY A 20 125.957 99.091 32.815 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.707 98.695 30.551 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.859 100.433 30.394 1.00 0.00 H new ATOM 305 N GLU A 21 127.856 99.951 28.896 1.00 0.00 N ATOM 306 CA GLU A 21 129.139 99.814 28.147 1.00 0.00 C ATOM 307 C GLU A 21 130.155 100.828 28.679 1.00 0.00 C ATOM 308 O GLU A 21 131.292 100.861 28.253 1.00 0.00 O ATOM 309 CB GLU A 21 128.889 100.078 26.659 1.00 0.00 C ATOM 310 CG GLU A 21 127.629 99.333 26.213 1.00 0.00 C ATOM 311 CD GLU A 21 127.492 99.430 24.694 1.00 0.00 C ATOM 312 OE1 GLU A 21 126.972 100.430 24.228 1.00 0.00 O ATOM 313 OE2 GLU A 21 127.909 98.501 24.020 1.00 0.00 O1- ATOM 0 H GLU A 21 127.147 100.525 28.439 1.00 0.00 H new ATOM 0 HA GLU A 21 129.530 98.805 28.280 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.773 101.147 26.483 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.746 99.749 26.071 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.684 98.288 26.518 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.750 99.760 26.696 1.00 0.00 H new ATOM 320 N ARG A 22 129.754 101.656 29.602 1.00 0.00 N ATOM 321 CA ARG A 22 130.698 102.670 30.156 1.00 0.00 C ATOM 322 C ARG A 22 131.949 101.972 30.697 1.00 0.00 C ATOM 323 O ARG A 22 132.891 102.611 31.122 1.00 0.00 O ATOM 324 CB ARG A 22 130.017 103.435 31.292 1.00 0.00 C ATOM 325 CG ARG A 22 128.673 103.981 30.811 1.00 0.00 C ATOM 326 CD ARG A 22 128.158 105.019 31.809 1.00 0.00 C ATOM 327 NE ARG A 22 129.013 106.238 31.742 1.00 0.00 N ATOM 328 CZ ARG A 22 129.015 107.089 32.730 1.00 0.00 C ATOM 329 NH1 ARG A 22 129.763 108.157 32.671 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 128.269 106.873 33.779 1.00 0.00 N ATOM 0 H ARG A 22 128.814 101.676 29.998 1.00 0.00 H new ATOM 0 HA ARG A 22 130.983 103.364 29.365 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.868 102.777 32.148 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.655 104.254 31.626 1.00 0.00 H new ATOM 0 HG2 ARG A 22 128.784 104.432 29.825 1.00 0.00 H new ATOM 0 HG3 ARG A 22 127.953 103.169 30.711 1.00 0.00 H new ATOM 0 HD2 ARG A 22 127.123 105.275 31.583 1.00 0.00 H new ATOM 0 HD3 ARG A 22 128.171 104.607 32.818 1.00 0.00 H new ATOM 0 HE ARG A 22 129.597 106.407 30.923 1.00 0.00 H new ATOM 0 HH11 ARG A 22 130.346 108.326 31.852 1.00 0.00 H new ATOM 0 HH12 ARG A 22 129.764 108.822 33.444 1.00 0.00 H new ATOM 0 HH21 ARG A 22 127.684 106.038 33.826 1.00 0.00 H new ATOM 0 HH22 ARG A 22 128.271 107.539 34.552 1.00 0.00 H new ATOM 344 N GLY A 23 131.968 100.667 30.691 1.00 0.00 N ATOM 345 CA GLY A 23 133.162 99.942 31.214 1.00 0.00 C ATOM 346 C GLY A 23 133.190 100.058 32.736 1.00 0.00 C ATOM 347 O GLY A 23 133.100 101.137 33.288 1.00 0.00 O ATOM 0 H GLY A 23 131.213 100.073 30.348 1.00 0.00 H new ATOM 0 HA2 GLY A 23 133.125 98.894 30.917 1.00 0.00 H new ATOM 0 HA3 GLY A 23 134.073 100.362 30.788 1.00 0.00 H new ATOM 351 N PHE A 24 133.304 98.946 33.417 1.00 0.00 N ATOM 352 CA PHE A 24 133.332 98.954 34.911 1.00 0.00 C ATOM 353 C PHE A 24 134.630 98.297 35.388 1.00 0.00 C ATOM 354 O PHE A 24 135.136 97.384 34.767 1.00 0.00 O ATOM 355 CB PHE A 24 132.129 98.159 35.414 1.00 0.00 C ATOM 356 CG PHE A 24 132.109 96.818 34.734 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.849 95.784 35.271 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.362 96.610 33.571 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.855 94.532 34.654 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.368 95.350 32.957 1.00 0.00 C ATOM 361 CZ PHE A 24 132.117 94.319 33.497 1.00 0.00 C ATOM 0 H PHE A 24 133.380 98.020 32.995 1.00 0.00 H new ATOM 0 HA PHE A 24 133.288 99.974 35.294 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.187 98.032 36.495 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.206 98.700 35.206 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.425 95.944 36.171 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.783 97.417 33.147 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.436 93.726 35.078 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.788 95.183 32.062 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.128 93.350 33.019 1.00 0.00 H new ATOM 371 N PHE A 25 135.180 98.760 36.478 1.00 0.00 N ATOM 372 CA PHE A 25 136.456 98.164 36.980 1.00 0.00 C ATOM 373 C PHE A 25 136.156 96.904 37.800 1.00 0.00 C ATOM 374 O PHE A 25 135.297 96.894 38.657 1.00 0.00 O ATOM 375 CB PHE A 25 137.193 99.190 37.859 1.00 0.00 C ATOM 376 CG PHE A 25 137.962 100.158 36.997 1.00 0.00 C ATOM 377 CD1 PHE A 25 137.635 101.517 37.010 1.00 0.00 C ATOM 378 CD2 PHE A 25 139.011 99.697 36.198 1.00 0.00 C ATOM 379 CE1 PHE A 25 138.354 102.410 36.224 1.00 0.00 C ATOM 380 CE2 PHE A 25 139.730 100.594 35.408 1.00 0.00 C ATOM 381 CZ PHE A 25 139.403 101.954 35.419 1.00 0.00 C ATOM 0 H PHE A 25 134.804 99.522 37.042 1.00 0.00 H new ATOM 0 HA PHE A 25 137.085 97.896 36.131 1.00 0.00 H new ATOM 0 HB2 PHE A 25 136.477 99.732 38.476 1.00 0.00 H new ATOM 0 HB3 PHE A 25 137.874 98.676 38.537 1.00 0.00 H new ATOM 0 HD1 PHE A 25 136.825 101.873 37.630 1.00 0.00 H new ATOM 0 HD2 PHE A 25 139.265 98.647 36.192 1.00 0.00 H new ATOM 0 HE1 PHE A 25 138.102 103.460 36.235 1.00 0.00 H new ATOM 0 HE2 PHE A 25 140.539 100.238 34.788 1.00 0.00 H new ATOM 0 HZ PHE A 25 139.959 102.650 34.808 1.00 0.00 H new ATOM 391 N TYR A 26 136.877 95.844 37.541 1.00 0.00 N ATOM 392 CA TYR A 26 136.662 94.576 38.296 1.00 0.00 C ATOM 393 C TYR A 26 137.756 93.578 37.908 1.00 0.00 C ATOM 394 O TYR A 26 138.556 93.835 37.031 1.00 0.00 O ATOM 395 CB TYR A 26 135.290 93.991 37.949 1.00 0.00 C ATOM 396 CG TYR A 26 134.944 92.907 38.938 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.479 93.252 40.210 1.00 0.00 C ATOM 398 CD2 TYR A 26 135.085 91.559 38.585 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.157 92.253 41.132 1.00 0.00 C ATOM 400 CE2 TYR A 26 134.761 90.557 39.508 1.00 0.00 C ATOM 401 CZ TYR A 26 134.297 90.905 40.782 1.00 0.00 C ATOM 402 OH TYR A 26 133.977 89.920 41.694 1.00 0.00 O ATOM 0 H TYR A 26 137.611 95.803 36.833 1.00 0.00 H new ATOM 0 HA TYR A 26 136.702 94.775 39.367 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.532 94.774 37.971 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.300 93.586 36.937 1.00 0.00 H new ATOM 0 HD1 TYR A 26 134.368 94.292 40.480 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.443 91.293 37.602 1.00 0.00 H new ATOM 0 HE1 TYR A 26 133.800 92.521 42.115 1.00 0.00 H new ATOM 0 HE2 TYR A 26 134.869 89.517 39.237 1.00 0.00 H new ATOM 0 HH TYR A 26 134.130 89.040 41.292 1.00 0.00 H new ATOM 412 N THR A 27 137.805 92.442 38.553 1.00 0.00 N ATOM 413 CA THR A 27 138.855 91.436 38.213 1.00 0.00 C ATOM 414 C THR A 27 138.348 90.029 38.560 1.00 0.00 C ATOM 415 O THR A 27 137.230 89.853 39.001 1.00 0.00 O ATOM 416 CB THR A 27 140.137 91.756 39.013 1.00 0.00 C ATOM 417 OG1 THR A 27 140.157 93.142 39.318 1.00 0.00 O ATOM 418 CG2 THR A 27 141.387 91.402 38.193 1.00 0.00 C ATOM 0 H THR A 27 137.165 92.167 39.299 1.00 0.00 H new ATOM 0 HA THR A 27 139.078 91.475 37.147 1.00 0.00 H new ATOM 0 HB THR A 27 140.139 91.166 39.929 1.00 0.00 H new ATOM 0 HG1 THR A 27 140.967 93.353 39.827 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.280 91.634 38.773 1.00 0.00 H new ATOM 0 HG22 THR A 27 141.376 90.339 37.954 1.00 0.00 H new ATOM 0 HG23 THR A 27 141.393 91.982 37.270 1.00 0.00 H new ATOM 426 N ASP A 28 139.163 89.029 38.361 1.00 0.00 N ATOM 427 CA ASP A 28 138.743 87.638 38.671 1.00 0.00 C ATOM 428 C ASP A 28 138.930 87.386 40.178 1.00 0.00 C ATOM 429 O ASP A 28 139.613 88.127 40.856 1.00 0.00 O ATOM 430 CB ASP A 28 139.621 86.673 37.836 1.00 0.00 C ATOM 431 CG ASP A 28 138.784 85.973 36.753 1.00 0.00 C ATOM 432 OD1 ASP A 28 137.955 86.637 36.153 1.00 0.00 O ATOM 433 OD2 ASP A 28 138.989 84.788 36.548 1.00 0.00 O1- ATOM 0 H ASP A 28 140.110 89.120 37.993 1.00 0.00 H new ATOM 0 HA ASP A 28 137.694 87.476 38.421 1.00 0.00 H new ATOM 0 HB2 ASP A 28 140.436 87.227 37.371 1.00 0.00 H new ATOM 0 HB3 ASP A 28 140.074 85.928 38.490 1.00 0.00 H new ATOM 438 N PRO A 29 138.247 86.391 40.676 1.00 0.00 N ATOM 439 CA PRO A 29 138.209 86.043 42.126 1.00 0.00 C ATOM 440 C PRO A 29 139.590 85.954 42.759 1.00 0.00 C ATOM 441 O PRO A 29 139.745 86.087 43.954 1.00 0.00 O ATOM 442 CB PRO A 29 137.520 84.667 42.160 1.00 0.00 C ATOM 443 CG PRO A 29 137.519 84.187 40.749 1.00 0.00 C ATOM 444 CD PRO A 29 137.454 85.444 39.891 1.00 0.00 C ATOM 0 HA PRO A 29 137.690 86.812 42.697 1.00 0.00 H new ATOM 0 HB2 PRO A 29 138.057 83.975 42.809 1.00 0.00 H new ATOM 0 HB3 PRO A 29 136.505 84.746 42.548 1.00 0.00 H new ATOM 0 HG2 PRO A 29 138.417 83.609 40.531 1.00 0.00 H new ATOM 0 HG3 PRO A 29 136.666 83.536 40.557 1.00 0.00 H new ATOM 0 HD2 PRO A 29 137.876 85.283 38.899 1.00 0.00 H new ATOM 0 HD3 PRO A 29 136.430 85.789 39.750 1.00 0.00 H new ATOM 452 N THR A 30 140.587 85.698 41.983 1.00 0.00 N ATOM 453 CA THR A 30 141.936 85.558 42.569 1.00 0.00 C ATOM 454 C THR A 30 142.855 86.670 42.071 1.00 0.00 C ATOM 455 O THR A 30 143.797 87.056 42.735 1.00 0.00 O ATOM 456 CB THR A 30 142.485 84.196 42.155 1.00 0.00 C ATOM 457 OG1 THR A 30 143.006 84.286 40.839 1.00 0.00 O ATOM 458 CG2 THR A 30 141.352 83.159 42.184 1.00 0.00 C ATOM 0 H THR A 30 140.531 85.579 40.971 1.00 0.00 H new ATOM 0 HA THR A 30 141.883 85.634 43.655 1.00 0.00 H new ATOM 0 HB THR A 30 143.273 83.892 42.844 1.00 0.00 H new ATOM 0 HG1 THR A 30 143.362 83.414 40.568 1.00 0.00 H new ATOM 0 HG21 THR A 30 141.742 82.185 41.888 1.00 0.00 H new ATOM 0 HG22 THR A 30 140.943 83.095 43.192 1.00 0.00 H new ATOM 0 HG23 THR A 30 140.566 83.460 41.492 1.00 0.00 H new ATOM 466 N GLU A 31 142.603 87.187 40.912 1.00 0.00 N ATOM 467 CA GLU A 31 143.479 88.261 40.393 1.00 0.00 C ATOM 468 C GLU A 31 143.568 89.398 41.423 1.00 0.00 C ATOM 469 O GLU A 31 142.585 89.797 42.026 1.00 0.00 O ATOM 470 CB GLU A 31 142.913 88.789 39.075 1.00 0.00 C ATOM 471 CG GLU A 31 143.418 87.930 37.913 1.00 0.00 C ATOM 472 CD GLU A 31 144.641 88.609 37.286 1.00 0.00 C ATOM 473 OE1 GLU A 31 145.632 87.929 37.087 1.00 0.00 O ATOM 474 OE2 GLU A 31 144.569 89.805 37.029 1.00 0.00 O1- ATOM 0 H GLU A 31 141.832 86.915 40.302 1.00 0.00 H new ATOM 0 HA GLU A 31 144.479 87.863 40.218 1.00 0.00 H new ATOM 0 HB2 GLU A 31 141.824 88.773 39.104 1.00 0.00 H new ATOM 0 HB3 GLU A 31 143.213 89.827 38.929 1.00 0.00 H new ATOM 0 HG2 GLU A 31 143.681 86.934 38.268 1.00 0.00 H new ATOM 0 HG3 GLU A 31 142.633 87.806 37.167 1.00 0.00 H new ATOM 481 N GLU A 32 144.751 89.922 41.608 1.00 0.00 N ATOM 482 CA GLU A 32 144.956 91.042 42.570 1.00 0.00 C ATOM 483 C GLU A 32 143.855 91.007 43.635 1.00 0.00 C ATOM 484 O GLU A 32 143.861 90.173 44.515 1.00 0.00 O ATOM 485 CB GLU A 32 144.942 92.358 41.773 1.00 0.00 C ATOM 486 CG GLU A 32 145.334 92.037 40.321 1.00 0.00 C ATOM 487 CD GLU A 32 146.187 93.156 39.710 1.00 0.00 C ATOM 488 OE1 GLU A 32 146.600 94.040 40.442 1.00 0.00 O ATOM 489 OE2 GLU A 32 146.419 93.097 38.510 1.00 0.00 O1- ATOM 0 H GLU A 32 145.596 89.616 41.125 1.00 0.00 H new ATOM 0 HA GLU A 32 145.911 90.952 43.087 1.00 0.00 H new ATOM 0 HB2 GLU A 32 143.953 92.815 41.809 1.00 0.00 H new ATOM 0 HB3 GLU A 32 145.640 93.074 42.207 1.00 0.00 H new ATOM 0 HG2 GLU A 32 145.887 91.098 40.291 1.00 0.00 H new ATOM 0 HG3 GLU A 32 144.434 91.896 39.723 1.00 0.00 H new ATOM 496 N GLY A 33 142.907 91.879 43.569 1.00 0.00 N ATOM 497 CA GLY A 33 141.823 91.857 44.581 1.00 0.00 C ATOM 498 C GLY A 33 140.795 92.904 44.193 1.00 0.00 C ATOM 499 O GLY A 33 140.999 94.075 44.431 1.00 0.00 O ATOM 0 H GLY A 33 142.830 92.609 42.860 1.00 0.00 H new ATOM 0 HA2 GLY A 33 141.363 90.870 44.625 1.00 0.00 H new ATOM 0 HA3 GLY A 33 142.224 92.066 45.573 1.00 0.00 H new ATOM 503 N PRO A 34 139.707 92.494 43.587 1.00 0.00 N ATOM 504 CA PRO A 34 138.625 93.413 43.132 1.00 0.00 C ATOM 505 C PRO A 34 138.139 94.363 44.218 1.00 0.00 C ATOM 506 O PRO A 34 137.623 93.945 45.235 1.00 0.00 O ATOM 507 CB PRO A 34 137.479 92.468 42.748 1.00 0.00 C ATOM 508 CG PRO A 34 137.845 91.160 43.353 1.00 0.00 C ATOM 509 CD PRO A 34 139.355 91.109 43.264 1.00 0.00 C ATOM 0 HA PRO A 34 138.983 94.052 42.325 1.00 0.00 H new ATOM 0 HB2 PRO A 34 136.524 92.828 43.132 1.00 0.00 H new ATOM 0 HB3 PRO A 34 137.378 92.389 41.666 1.00 0.00 H new ATOM 0 HG2 PRO A 34 137.506 91.092 44.387 1.00 0.00 H new ATOM 0 HG3 PRO A 34 137.388 90.331 42.813 1.00 0.00 H new ATOM 0 HD2 PRO A 34 139.785 90.400 43.971 1.00 0.00 H new ATOM 0 HD3 PRO A 34 139.699 90.818 42.272 1.00 0.00 H new ATOM 517 N ARG A 35 138.257 95.635 43.977 1.00 0.00 N ATOM 518 CA ARG A 35 137.761 96.648 44.952 1.00 0.00 C ATOM 519 C ARG A 35 137.392 96.001 46.288 1.00 0.00 C ATOM 520 O ARG A 35 136.256 95.623 46.492 1.00 0.00 O ATOM 521 CB ARG A 35 136.496 97.294 44.373 1.00 0.00 C ATOM 522 CG ARG A 35 136.471 98.784 44.701 1.00 0.00 C ATOM 523 CD ARG A 35 136.942 99.574 43.475 1.00 0.00 C ATOM 524 NE ARG A 35 136.691 101.027 43.693 1.00 0.00 N ATOM 525 CZ ARG A 35 137.063 101.918 42.804 1.00 0.00 C ATOM 526 NH1 ARG A 35 136.801 103.181 43.019 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 137.693 101.556 41.714 1.00 0.00 N ATOM 0 H ARG A 35 138.681 96.024 43.135 1.00 0.00 H new ATOM 0 HA ARG A 35 138.550 97.381 45.122 1.00 0.00 H new ATOM 0 HB2 ARG A 35 136.467 97.151 43.293 1.00 0.00 H new ATOM 0 HB3 ARG A 35 135.610 96.809 44.783 1.00 0.00 H new ATOM 0 HG2 ARG A 35 135.463 99.091 44.982 1.00 0.00 H new ATOM 0 HG3 ARG A 35 137.117 98.992 45.554 1.00 0.00 H new ATOM 0 HD2 ARG A 35 138.004 99.399 43.303 1.00 0.00 H new ATOM 0 HD3 ARG A 35 136.414 99.233 42.584 1.00 0.00 H new ATOM 0 HE ARG A 35 136.223 101.333 44.546 1.00 0.00 H new ATOM 0 HH11 ARG A 35 136.313 103.463 43.869 1.00 0.00 H new ATOM 0 HH12 ARG A 35 137.084 103.884 42.336 1.00 0.00 H new ATOM 0 HH21 ARG A 35 137.900 100.571 41.548 1.00 0.00 H new ATOM 0 HH22 ARG A 35 137.976 102.259 41.031 1.00 0.00 H new ATOM 541 N ARG A 36 138.310 95.896 47.218 1.00 0.00 N ATOM 542 CA ARG A 36 137.934 95.303 48.535 1.00 0.00 C ATOM 543 C ARG A 36 136.826 96.172 49.123 1.00 0.00 C ATOM 544 O ARG A 36 137.055 97.254 49.635 1.00 0.00 O ATOM 545 CB ARG A 36 139.137 95.258 49.478 1.00 0.00 C ATOM 546 CG ARG A 36 139.945 93.987 49.192 1.00 0.00 C ATOM 547 CD ARG A 36 139.659 92.934 50.258 1.00 0.00 C ATOM 548 NE ARG A 36 140.448 91.702 49.967 1.00 0.00 N ATOM 549 CZ ARG A 36 139.977 90.829 49.123 1.00 0.00 C ATOM 550 NH1 ARG A 36 140.633 89.729 48.874 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 138.843 91.063 48.525 1.00 0.00 N ATOM 0 H ARG A 36 139.283 96.189 47.125 1.00 0.00 H new ATOM 0 HA ARG A 36 137.592 94.276 48.404 1.00 0.00 H new ATOM 0 HB2 ARG A 36 139.760 96.141 49.336 1.00 0.00 H new ATOM 0 HB3 ARG A 36 138.803 95.267 50.516 1.00 0.00 H new ATOM 0 HG2 ARG A 36 139.689 93.598 48.207 1.00 0.00 H new ATOM 0 HG3 ARG A 36 141.010 94.219 49.176 1.00 0.00 H new ATOM 0 HD2 ARG A 36 139.918 93.320 51.244 1.00 0.00 H new ATOM 0 HD3 ARG A 36 138.594 92.701 50.277 1.00 0.00 H new ATOM 0 HE ARG A 36 141.346 91.545 50.424 1.00 0.00 H new ATOM 0 HH11 ARG A 36 141.521 89.548 49.342 1.00 0.00 H new ATOM 0 HH12 ARG A 36 140.258 89.050 48.212 1.00 0.00 H new ATOM 0 HH21 ARG A 36 138.332 91.924 48.719 1.00 0.00 H new ATOM 0 HH22 ARG A 36 138.466 90.385 47.862 1.00 0.00 H new ATOM 565 N GLY A 37 135.624 95.701 49.024 1.00 0.00 N ATOM 566 CA GLY A 37 134.453 96.471 49.530 1.00 0.00 C ATOM 567 C GLY A 37 133.166 95.865 48.970 1.00 0.00 C ATOM 568 O GLY A 37 132.219 95.611 49.687 1.00 0.00 O ATOM 0 H GLY A 37 135.393 94.799 48.607 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.434 96.450 50.620 1.00 0.00 H new ATOM 0 HA3 GLY A 37 134.535 97.516 49.232 1.00 0.00 H new ATOM 572 N ILE A 38 133.128 95.648 47.688 1.00 0.00 N ATOM 573 CA ILE A 38 131.911 95.077 47.049 1.00 0.00 C ATOM 574 C ILE A 38 131.886 93.554 47.187 1.00 0.00 C ATOM 575 O ILE A 38 130.870 92.955 47.458 1.00 0.00 O ATOM 576 CB ILE A 38 131.940 95.442 45.560 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.567 95.209 44.941 1.00 0.00 C ATOM 578 CG2 ILE A 38 132.984 94.591 44.809 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.632 95.559 43.454 1.00 0.00 C ATOM 0 H ILE A 38 133.897 95.844 47.047 1.00 0.00 H new ATOM 0 HA ILE A 38 131.024 95.481 47.537 1.00 0.00 H new ATOM 0 HB ILE A 38 132.211 96.494 45.473 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.266 94.170 45.071 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.818 95.823 45.441 1.00 0.00 H new ATOM 0 HG21 ILE A 38 132.987 94.867 43.754 1.00 0.00 H new ATOM 0 HG22 ILE A 38 133.972 94.769 45.234 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.731 93.535 44.907 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.655 95.396 42.999 1.00 0.00 H new ATOM 0 HD12 ILE A 38 130.917 96.605 43.338 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.371 94.926 42.963 1.00 0.00 H new ATOM 591 N VAL A 39 132.992 92.929 46.945 1.00 0.00 N ATOM 592 CA VAL A 39 133.048 91.458 46.990 1.00 0.00 C ATOM 593 C VAL A 39 132.855 90.935 48.412 1.00 0.00 C ATOM 594 O VAL A 39 131.917 90.222 48.695 1.00 0.00 O ATOM 595 CB VAL A 39 134.427 91.068 46.470 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.702 89.597 46.749 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.504 91.349 44.965 1.00 0.00 C ATOM 0 H VAL A 39 133.874 93.385 46.714 1.00 0.00 H new ATOM 0 HA VAL A 39 132.250 91.026 46.387 1.00 0.00 H new ATOM 0 HB VAL A 39 135.184 91.660 46.984 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.690 89.334 46.372 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.664 89.417 47.823 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.949 88.985 46.252 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.490 91.070 44.593 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.742 90.766 44.447 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.335 92.410 44.784 1.00 0.00 H new ATOM 607 N GLU A 40 133.734 91.265 49.300 1.00 0.00 N ATOM 608 CA GLU A 40 133.599 90.756 50.688 1.00 0.00 C ATOM 609 C GLU A 40 132.225 91.122 51.259 1.00 0.00 C ATOM 610 O GLU A 40 131.719 90.464 52.144 1.00 0.00 O ATOM 611 CB GLU A 40 134.697 91.362 51.551 1.00 0.00 C ATOM 612 CG GLU A 40 136.020 91.354 50.781 1.00 0.00 C ATOM 613 CD GLU A 40 137.171 91.633 51.747 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.184 92.705 52.329 1.00 0.00 O ATOM 615 OE2 GLU A 40 138.020 90.768 51.892 1.00 0.00 O1- ATOM 0 H GLU A 40 134.542 91.865 49.130 1.00 0.00 H new ATOM 0 HA GLU A 40 133.693 89.670 50.683 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.433 92.382 51.829 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.800 90.796 52.477 1.00 0.00 H new ATOM 0 HG2 GLU A 40 136.165 90.389 50.295 1.00 0.00 H new ATOM 0 HG3 GLU A 40 136.000 92.108 49.994 1.00 0.00 H new ATOM 622 N GLN A 41 131.622 92.172 50.772 1.00 0.00 N ATOM 623 CA GLN A 41 130.283 92.584 51.299 1.00 0.00 C ATOM 624 C GLN A 41 129.163 91.985 50.444 1.00 0.00 C ATOM 625 O GLN A 41 128.276 91.323 50.940 1.00 0.00 O ATOM 626 CB GLN A 41 130.181 94.109 51.262 1.00 0.00 C ATOM 627 CG GLN A 41 128.844 94.546 51.861 1.00 0.00 C ATOM 628 CD GLN A 41 128.866 96.056 52.105 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.620 96.510 53.205 1.00 0.00 O ATOM 630 NE2 GLN A 41 129.154 96.857 51.118 1.00 0.00 N ATOM 0 H GLN A 41 131.996 92.765 50.031 1.00 0.00 H new ATOM 0 HA GLN A 41 130.178 92.222 52.322 1.00 0.00 H new ATOM 0 HB2 GLN A 41 131.004 94.553 51.822 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.265 94.465 50.235 1.00 0.00 H new ATOM 0 HG2 GLN A 41 128.028 94.287 51.186 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.662 94.018 52.797 1.00 0.00 H new ATOM 0 HE21 GLN A 41 129.360 96.475 50.195 1.00 0.00 H new ATOM 0 HE22 GLN A 41 129.173 97.866 51.269 1.00 0.00 H new ATOM 639 N CYS A 42 129.179 92.237 49.167 1.00 0.00 N ATOM 640 CA CYS A 42 128.096 91.711 48.285 1.00 0.00 C ATOM 641 C CYS A 42 128.163 90.184 48.174 1.00 0.00 C ATOM 642 O CYS A 42 127.149 89.527 48.048 1.00 0.00 O ATOM 643 CB CYS A 42 128.234 92.329 46.893 1.00 0.00 C ATOM 644 SG CYS A 42 128.495 94.113 47.058 1.00 0.00 S ATOM 0 H CYS A 42 129.896 92.786 48.692 1.00 0.00 H new ATOM 0 HA CYS A 42 127.135 91.979 48.723 1.00 0.00 H new ATOM 0 HB2 CYS A 42 129.070 91.875 46.361 1.00 0.00 H new ATOM 0 HB3 CYS A 42 127.338 92.133 46.304 1.00 0.00 H new ATOM 649 N CYS A 43 129.334 89.606 48.198 1.00 0.00 N ATOM 650 CA CYS A 43 129.415 88.119 48.069 1.00 0.00 C ATOM 651 C CYS A 43 129.054 87.448 49.399 1.00 0.00 C ATOM 652 O CYS A 43 128.501 86.366 49.420 1.00 0.00 O ATOM 653 CB CYS A 43 130.831 87.708 47.643 1.00 0.00 C ATOM 654 SG CYS A 43 130.891 85.915 47.364 1.00 0.00 S ATOM 0 H CYS A 43 130.227 90.089 48.300 1.00 0.00 H new ATOM 0 HA CYS A 43 128.704 87.794 47.309 1.00 0.00 H new ATOM 0 HB2 CYS A 43 131.115 88.237 46.733 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.549 87.990 48.413 1.00 0.00 H new ATOM 659 N HIS A 44 129.359 88.074 50.511 1.00 0.00 N ATOM 660 CA HIS A 44 129.030 87.462 51.841 1.00 0.00 C ATOM 661 C HIS A 44 127.779 88.128 52.423 1.00 0.00 C ATOM 662 O HIS A 44 127.138 87.595 53.309 1.00 0.00 O ATOM 663 CB HIS A 44 130.200 87.670 52.802 1.00 0.00 C ATOM 664 CG HIS A 44 131.438 87.036 52.230 1.00 0.00 C ATOM 665 ND1 HIS A 44 132.337 87.742 51.444 1.00 0.00 N ATOM 666 CD2 HIS A 44 131.941 85.760 52.321 1.00 0.00 C ATOM 667 CE1 HIS A 44 133.324 86.897 51.095 1.00 0.00 C ATOM 668 NE2 HIS A 44 133.129 85.679 51.605 1.00 0.00 N ATOM 0 H HIS A 44 129.821 88.982 50.557 1.00 0.00 H new ATOM 0 HA HIS A 44 128.847 86.396 51.708 1.00 0.00 H new ATOM 0 HB2 HIS A 44 130.366 88.735 52.965 1.00 0.00 H new ATOM 0 HB3 HIS A 44 129.969 87.231 53.773 1.00 0.00 H new ATOM 0 HD2 HIS A 44 131.484 84.947 52.865 1.00 0.00 H new ATOM 0 HE1 HIS A 44 134.168 87.170 50.479 1.00 0.00 H new ATOM 0 HE2 HIS A 44 133.727 84.860 51.493 1.00 0.00 H new ATOM 677 N SER A 45 127.425 89.289 51.934 1.00 0.00 N ATOM 678 CA SER A 45 126.212 89.997 52.457 1.00 0.00 C ATOM 679 C SER A 45 125.461 90.644 51.287 1.00 0.00 C ATOM 680 O SER A 45 125.854 90.527 50.143 1.00 0.00 O ATOM 681 CB SER A 45 126.647 91.072 53.464 1.00 0.00 C ATOM 682 OG SER A 45 126.776 90.481 54.750 1.00 0.00 O ATOM 0 H SER A 45 127.924 89.781 51.193 1.00 0.00 H new ATOM 0 HA SER A 45 125.553 89.287 52.956 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.595 91.513 53.156 1.00 0.00 H new ATOM 0 HB3 SER A 45 125.914 91.878 53.493 1.00 0.00 H new ATOM 0 HG SER A 45 126.925 89.517 54.654 1.00 0.00 H new ATOM 688 N ILE A 46 124.377 91.318 51.566 1.00 0.00 N ATOM 689 CA ILE A 46 123.595 91.963 50.472 1.00 0.00 C ATOM 690 C ILE A 46 124.302 93.258 50.052 1.00 0.00 C ATOM 691 O ILE A 46 125.261 93.676 50.668 1.00 0.00 O ATOM 692 CB ILE A 46 122.168 92.293 50.961 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.551 91.093 51.711 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.277 92.659 49.772 1.00 0.00 C ATOM 695 CD1 ILE A 46 121.000 90.058 50.722 1.00 0.00 C ATOM 0 H ILE A 46 124.000 91.450 52.504 1.00 0.00 H new ATOM 0 HA ILE A 46 123.528 91.281 49.625 1.00 0.00 H new ATOM 0 HB ILE A 46 122.233 93.139 51.645 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.305 90.629 52.347 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.751 91.440 52.365 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.273 92.890 50.127 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.690 93.529 49.262 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.232 91.819 49.079 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.570 89.221 51.273 1.00 0.00 H new ATOM 0 HD12 ILE A 46 120.230 90.519 50.104 1.00 0.00 H new ATOM 0 HD13 ILE A 46 121.808 89.697 50.086 1.00 0.00 H new ATOM 707 N CYS A 47 123.837 93.895 49.008 1.00 0.00 N ATOM 708 CA CYS A 47 124.488 95.161 48.551 1.00 0.00 C ATOM 709 C CYS A 47 123.453 96.044 47.843 1.00 0.00 C ATOM 710 O CYS A 47 122.371 95.606 47.506 1.00 0.00 O ATOM 711 CB CYS A 47 125.626 94.820 47.575 1.00 0.00 C ATOM 712 SG CYS A 47 127.182 94.667 48.483 1.00 0.00 S ATOM 0 H CYS A 47 123.036 93.594 48.453 1.00 0.00 H new ATOM 0 HA CYS A 47 124.890 95.697 49.411 1.00 0.00 H new ATOM 0 HB2 CYS A 47 125.405 93.888 47.054 1.00 0.00 H new ATOM 0 HB3 CYS A 47 125.712 95.597 46.816 1.00 0.00 H new ATOM 717 N SER A 48 123.792 97.288 47.606 1.00 0.00 N ATOM 718 CA SER A 48 122.850 98.215 46.909 1.00 0.00 C ATOM 719 C SER A 48 123.261 98.345 45.439 1.00 0.00 C ATOM 720 O SER A 48 124.369 98.032 45.057 1.00 0.00 O ATOM 721 CB SER A 48 122.891 99.597 47.581 1.00 0.00 C ATOM 722 OG SER A 48 121.587 100.164 47.565 1.00 0.00 O ATOM 0 H SER A 48 124.687 97.702 47.868 1.00 0.00 H new ATOM 0 HA SER A 48 121.837 97.817 46.970 1.00 0.00 H new ATOM 0 HB2 SER A 48 123.248 99.505 48.607 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.590 100.249 47.057 1.00 0.00 H new ATOM 0 HG SER A 48 121.608 101.045 47.994 1.00 0.00 H new ATOM 728 N LEU A 49 122.377 98.835 44.630 1.00 0.00 N ATOM 729 CA LEU A 49 122.684 99.037 43.201 1.00 0.00 C ATOM 730 C LEU A 49 123.426 100.363 43.100 1.00 0.00 C ATOM 731 O LEU A 49 124.329 100.548 42.308 1.00 0.00 O ATOM 732 CB LEU A 49 121.338 99.042 42.443 1.00 0.00 C ATOM 733 CG LEU A 49 121.317 100.068 41.308 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.423 99.765 40.280 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.948 100.009 40.637 1.00 0.00 C ATOM 0 H LEU A 49 121.434 99.109 44.907 1.00 0.00 H new ATOM 0 HA LEU A 49 123.310 98.258 42.766 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.149 98.049 42.036 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.530 99.259 43.142 1.00 0.00 H new ATOM 0 HG LEU A 49 121.499 101.065 41.710 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.390 100.506 39.481 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.396 99.802 40.770 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.267 98.772 39.859 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.910 100.733 39.823 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.780 99.008 40.240 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.174 100.244 41.368 1.00 0.00 H new ATOM 747 N GLU A 50 123.040 101.273 43.931 1.00 0.00 N ATOM 748 CA GLU A 50 123.680 102.603 43.960 1.00 0.00 C ATOM 749 C GLU A 50 125.144 102.417 44.280 1.00 0.00 C ATOM 750 O GLU A 50 125.999 103.209 43.932 1.00 0.00 O ATOM 751 CB GLU A 50 123.005 103.393 45.064 1.00 0.00 C ATOM 752 CG GLU A 50 121.522 103.528 44.731 1.00 0.00 C ATOM 753 CD GLU A 50 120.894 104.620 45.601 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.341 105.552 45.041 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.978 104.505 46.813 1.00 0.00 O1- ATOM 0 H GLU A 50 122.288 101.148 44.609 1.00 0.00 H new ATOM 0 HA GLU A 50 123.586 103.124 43.007 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.133 102.889 46.022 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.463 104.378 45.158 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.397 103.774 43.676 1.00 0.00 H new ATOM 0 HG3 GLU A 50 121.014 102.579 44.899 1.00 0.00 H new ATOM 762 N GLN A 51 125.412 101.356 44.948 1.00 0.00 N ATOM 763 CA GLN A 51 126.807 101.030 45.341 1.00 0.00 C ATOM 764 C GLN A 51 127.581 100.529 44.112 1.00 0.00 C ATOM 765 O GLN A 51 128.788 100.610 44.063 1.00 0.00 O ATOM 766 CB GLN A 51 126.774 99.951 46.430 1.00 0.00 C ATOM 767 CG GLN A 51 128.173 99.363 46.634 1.00 0.00 C ATOM 768 CD GLN A 51 128.224 98.610 47.961 1.00 0.00 C ATOM 769 OE1 GLN A 51 129.288 98.276 48.446 1.00 0.00 O ATOM 770 NE2 GLN A 51 127.112 98.330 48.574 1.00 0.00 N ATOM 0 H GLN A 51 124.714 100.677 45.251 1.00 0.00 H new ATOM 0 HA GLN A 51 127.307 101.917 45.729 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.411 100.378 47.365 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.077 99.161 46.149 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.419 98.690 45.813 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.918 100.159 46.627 1.00 0.00 H new ATOM 0 HE21 GLN A 51 126.220 98.611 48.166 1.00 0.00 H new ATOM 0 HE22 GLN A 51 127.132 97.830 49.463 1.00 0.00 H new ATOM 779 N LEU A 52 126.898 100.030 43.115 1.00 0.00 N ATOM 780 CA LEU A 52 127.599 99.551 41.895 1.00 0.00 C ATOM 781 C LEU A 52 127.820 100.752 40.979 1.00 0.00 C ATOM 782 O LEU A 52 128.809 100.865 40.291 1.00 0.00 O ATOM 783 CB LEU A 52 126.678 98.570 41.160 1.00 0.00 C ATOM 784 CG LEU A 52 126.201 97.461 42.071 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.205 96.608 41.289 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.372 96.600 42.499 1.00 0.00 C ATOM 0 H LEU A 52 125.883 99.935 43.096 1.00 0.00 H new ATOM 0 HA LEU A 52 128.543 99.074 42.158 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.818 99.108 40.760 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.208 98.140 40.310 1.00 0.00 H new ATOM 0 HG LEU A 52 125.734 97.882 42.961 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.843 95.798 41.923 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.364 97.226 40.975 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.696 96.190 40.410 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.018 95.804 43.155 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.843 96.162 41.619 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.099 97.213 43.032 1.00 0.00 H new ATOM 798 N GLU A 53 126.869 101.637 40.953 1.00 0.00 N ATOM 799 CA GLU A 53 126.961 102.822 40.078 1.00 0.00 C ATOM 800 C GLU A 53 128.199 103.648 40.437 1.00 0.00 C ATOM 801 O GLU A 53 128.677 104.439 39.648 1.00 0.00 O ATOM 802 CB GLU A 53 125.669 103.630 40.269 1.00 0.00 C ATOM 803 CG GLU A 53 124.650 103.261 39.181 1.00 0.00 C ATOM 804 CD GLU A 53 123.370 104.073 39.381 1.00 0.00 C ATOM 805 OE1 GLU A 53 123.271 105.141 38.799 1.00 0.00 O ATOM 806 OE2 GLU A 53 122.509 103.614 40.113 1.00 0.00 O1- ATOM 0 H GLU A 53 126.018 101.584 41.513 1.00 0.00 H new ATOM 0 HA GLU A 53 127.065 102.533 39.032 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.249 103.431 41.255 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.888 104.697 40.226 1.00 0.00 H new ATOM 0 HG2 GLU A 53 125.068 103.460 38.194 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.427 102.195 39.224 1.00 0.00 H new ATOM 813 N ASN A 54 128.729 103.459 41.606 1.00 0.00 N ATOM 814 CA ASN A 54 129.948 104.218 42.000 1.00 0.00 C ATOM 815 C ASN A 54 131.170 103.485 41.448 1.00 0.00 C ATOM 816 O ASN A 54 132.286 103.960 41.528 1.00 0.00 O ATOM 817 CB ASN A 54 130.035 104.290 43.526 1.00 0.00 C ATOM 818 CG ASN A 54 128.755 104.910 44.081 1.00 0.00 C ATOM 819 OD1 ASN A 54 128.299 105.929 43.598 1.00 0.00 O ATOM 820 ND2 ASN A 54 128.151 104.336 45.083 1.00 0.00 N ATOM 0 H ASN A 54 128.373 102.812 42.310 1.00 0.00 H new ATOM 0 HA ASN A 54 129.907 105.231 41.601 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.177 103.292 43.940 1.00 0.00 H new ATOM 0 HB3 ASN A 54 130.898 104.885 43.824 1.00 0.00 H new ATOM 0 HD21 ASN A 54 127.295 104.741 45.463 1.00 0.00 H new ATOM 0 HD22 ASN A 54 128.534 103.482 45.488 1.00 0.00 H new ATOM 827 N TYR A 55 130.965 102.306 40.920 1.00 0.00 N ATOM 828 CA TYR A 55 132.101 101.500 40.393 1.00 0.00 C ATOM 829 C TYR A 55 132.326 101.828 38.918 1.00 0.00 C ATOM 830 O TYR A 55 133.445 101.887 38.448 1.00 0.00 O ATOM 831 CB TYR A 55 131.790 100.006 40.545 1.00 0.00 C ATOM 832 CG TYR A 55 131.925 99.634 41.988 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.252 100.357 42.963 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.762 98.603 42.349 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.424 100.049 44.300 1.00 0.00 C ATOM 836 CE2 TYR A 55 132.929 98.281 43.687 1.00 0.00 C ATOM 837 CZ TYR A 55 132.263 99.007 44.671 1.00 0.00 C ATOM 838 OH TYR A 55 132.440 98.704 46.007 1.00 0.00 O ATOM 0 H TYR A 55 130.049 101.865 40.832 1.00 0.00 H new ATOM 0 HA TYR A 55 133.002 101.740 40.957 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.781 99.792 40.192 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.473 99.414 39.936 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.592 101.163 42.677 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.289 98.044 41.590 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.905 100.619 45.056 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.578 97.464 43.967 1.00 0.00 H new ATOM 0 HH TYR A 55 131.627 98.932 46.505 1.00 0.00 H new ATOM 848 N CYS A 56 131.270 102.037 38.185 1.00 0.00 N ATOM 849 CA CYS A 56 131.415 102.357 36.740 1.00 0.00 C ATOM 850 C CYS A 56 132.434 103.488 36.564 1.00 0.00 C ATOM 851 O CYS A 56 132.178 104.626 36.904 1.00 0.00 O ATOM 852 CB CYS A 56 130.053 102.782 36.184 1.00 0.00 C ATOM 853 SG CYS A 56 128.754 101.789 36.963 1.00 0.00 S ATOM 0 H CYS A 56 130.309 102.000 38.526 1.00 0.00 H new ATOM 0 HA CYS A 56 131.768 101.479 36.199 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.883 103.841 36.377 1.00 0.00 H new ATOM 0 HB3 CYS A 56 130.031 102.648 35.103 1.00 0.00 H new ATOM 858 N ASN A 57 133.584 103.180 36.035 1.00 0.00 N ATOM 859 CA ASN A 57 134.621 104.231 35.834 1.00 0.00 C ATOM 860 C ASN A 57 134.865 104.970 37.153 1.00 0.00 C ATOM 861 O ASN A 57 135.800 104.610 37.848 1.00 0.00 O ATOM 862 CB ASN A 57 134.144 105.223 34.770 1.00 0.00 C ATOM 863 CG ASN A 57 135.328 106.057 34.278 1.00 0.00 C ATOM 864 OD1 ASN A 57 136.210 106.389 35.043 1.00 0.00 O ATOM 865 ND2 ASN A 57 135.384 106.409 33.023 1.00 0.00 N ATOM 866 OXT ASN A 57 134.112 105.885 37.444 1.00 0.00 O ATOM 0 H ASN A 57 133.852 102.244 35.732 1.00 0.00 H new ATOM 0 HA ASN A 57 135.550 103.765 35.504 1.00 0.00 H new ATOM 0 HB2 ASN A 57 133.692 104.687 33.935 1.00 0.00 H new ATOM 0 HB3 ASN A 57 133.375 105.874 35.185 1.00 0.00 H new ATOM 0 HD21 ASN A 57 136.170 106.964 32.684 1.00 0.00 H new ATOM 0 HD22 ASN A 57 134.642 106.129 32.381 1.00 0.00 H new