USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=9 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= -3.22! K(o=-8.9!,f=2.1) USER MOD Set 1.2: A 51 GLN : amide:sc= -5.73! K(o=-8.9!,f=2.1) USER MOD Single : A 1 PHE N :NH3+ 170:sc= -0.0489 (180deg=-0.16) USER MOD Single : A 3 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.51) USER MOD Single : A 4 GLN : amide:sc= -1.61! X(o=-1.6!,f=-1.4) USER MOD Single : A 5 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-3.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 10 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0.0004) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -114:sc= -6.02! USER MOD Single : A 27 THR OG1 : rot -93:sc= -2.04! USER MOD Single : A 30 THR OG1 : rot 180:sc= 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= 0.156 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -7.99! C(o=-8!,f=-7.5!) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.567 USER MOD Single : A 57 ASN : amide:sc= 0.333 K(o=0.33,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.266 89.905 39.759 1.00 0.00 N ATOM 2 CA PHE A 1 119.981 91.136 40.201 1.00 0.00 C ATOM 3 C PHE A 1 119.256 91.769 41.380 1.00 0.00 C ATOM 4 O PHE A 1 119.423 92.942 41.667 1.00 0.00 O ATOM 5 CB PHE A 1 119.997 92.163 39.078 1.00 0.00 C ATOM 6 CG PHE A 1 121.075 93.170 39.371 1.00 0.00 C ATOM 7 CD1 PHE A 1 121.830 93.069 40.552 1.00 0.00 C ATOM 8 CD2 PHE A 1 121.340 94.185 38.456 1.00 0.00 C ATOM 9 CE1 PHE A 1 122.843 93.987 40.803 1.00 0.00 C ATOM 10 CE2 PHE A 1 122.348 95.103 38.706 1.00 0.00 C ATOM 11 CZ PHE A 1 123.098 95.006 39.874 1.00 0.00 C ATOM 0 H1 PHE A 1 119.666 89.576 38.857 1.00 0.00 H new ATOM 0 H2 PHE A 1 119.377 89.162 40.478 1.00 0.00 H new ATOM 0 H3 PHE A 1 118.256 90.117 39.633 1.00 0.00 H new ATOM 0 HA PHE A 1 120.996 90.852 40.480 1.00 0.00 H new ATOM 0 HB2 PHE A 1 120.183 91.676 38.121 1.00 0.00 H new ATOM 0 HB3 PHE A 1 119.028 92.656 39.001 1.00 0.00 H new ATOM 0 HD1 PHE A 1 121.624 92.281 41.262 1.00 0.00 H new ATOM 0 HD2 PHE A 1 120.759 94.257 37.549 1.00 0.00 H new ATOM 0 HE1 PHE A 1 123.430 93.916 41.707 1.00 0.00 H new ATOM 0 HE2 PHE A 1 122.551 95.891 37.996 1.00 0.00 H new ATOM 0 HZ PHE A 1 123.883 95.722 40.067 1.00 0.00 H new ATOM 23 N VAL A 2 118.401 91.042 42.014 1.00 0.00 N ATOM 24 CA VAL A 2 117.612 91.647 43.120 1.00 0.00 C ATOM 25 C VAL A 2 118.459 91.632 44.393 1.00 0.00 C ATOM 26 O VAL A 2 119.456 90.941 44.474 1.00 0.00 O ATOM 27 CB VAL A 2 116.333 90.838 43.340 1.00 0.00 C ATOM 28 CG1 VAL A 2 116.694 89.429 43.815 1.00 0.00 C ATOM 29 CG2 VAL A 2 115.468 91.527 44.398 1.00 0.00 C ATOM 0 H VAL A 2 118.208 90.059 41.822 1.00 0.00 H new ATOM 0 HA VAL A 2 117.343 92.673 42.868 1.00 0.00 H new ATOM 0 HB VAL A 2 115.779 90.774 42.403 1.00 0.00 H new ATOM 0 HG11 VAL A 2 115.782 88.853 43.972 1.00 0.00 H new ATOM 0 HG12 VAL A 2 117.309 88.937 43.061 1.00 0.00 H new ATOM 0 HG13 VAL A 2 117.249 89.492 44.751 1.00 0.00 H new ATOM 0 HG21 VAL A 2 114.556 90.950 44.555 1.00 0.00 H new ATOM 0 HG22 VAL A 2 116.022 91.592 45.335 1.00 0.00 H new ATOM 0 HG23 VAL A 2 115.209 92.530 44.059 1.00 0.00 H new ATOM 39 N ASN A 3 118.083 92.387 45.387 1.00 0.00 N ATOM 40 CA ASN A 3 118.882 92.406 46.647 1.00 0.00 C ATOM 41 C ASN A 3 119.183 90.969 47.083 1.00 0.00 C ATOM 42 O ASN A 3 118.344 90.295 47.646 1.00 0.00 O ATOM 43 CB ASN A 3 118.092 93.126 47.749 1.00 0.00 C ATOM 44 CG ASN A 3 117.256 94.243 47.129 1.00 0.00 C ATOM 45 OD1 ASN A 3 116.051 94.275 47.287 1.00 0.00 O ATOM 46 ND2 ASN A 3 117.848 95.164 46.425 1.00 0.00 N ATOM 0 H ASN A 3 117.260 92.990 45.383 1.00 0.00 H new ATOM 0 HA ASN A 3 119.819 92.935 46.474 1.00 0.00 H new ATOM 0 HB2 ASN A 3 117.445 92.419 48.269 1.00 0.00 H new ATOM 0 HB3 ASN A 3 118.776 93.538 48.491 1.00 0.00 H new ATOM 0 HD21 ASN A 3 117.301 95.915 46.004 1.00 0.00 H new ATOM 0 HD22 ASN A 3 118.859 95.135 46.294 1.00 0.00 H new ATOM 53 N GLN A 4 120.373 90.495 46.831 1.00 0.00 N ATOM 54 CA GLN A 4 120.714 89.102 47.239 1.00 0.00 C ATOM 55 C GLN A 4 122.235 88.949 47.337 1.00 0.00 C ATOM 56 O GLN A 4 122.958 89.918 47.458 1.00 0.00 O ATOM 57 CB GLN A 4 120.152 88.117 46.209 1.00 0.00 C ATOM 58 CG GLN A 4 120.937 88.228 44.897 1.00 0.00 C ATOM 59 CD GLN A 4 120.145 87.568 43.768 1.00 0.00 C ATOM 60 OE1 GLN A 4 120.527 87.639 42.617 1.00 0.00 O ATOM 61 NE2 GLN A 4 119.048 86.927 44.054 1.00 0.00 N ATOM 0 H GLN A 4 121.120 91.008 46.363 1.00 0.00 H new ATOM 0 HA GLN A 4 120.275 88.890 48.214 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.214 87.099 46.595 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.097 88.327 46.031 1.00 0.00 H new ATOM 0 HG2 GLN A 4 121.123 89.276 44.660 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.910 87.747 45.002 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.729 86.868 45.021 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.508 86.483 43.311 1.00 0.00 H new ATOM 70 N HIS A 5 122.726 87.736 47.294 1.00 0.00 N ATOM 71 CA HIS A 5 124.202 87.511 47.395 1.00 0.00 C ATOM 72 C HIS A 5 124.804 87.331 45.999 1.00 0.00 C ATOM 73 O HIS A 5 124.583 86.335 45.340 1.00 0.00 O ATOM 74 CB HIS A 5 124.462 86.251 48.225 1.00 0.00 C ATOM 75 CG HIS A 5 123.734 85.087 47.610 1.00 0.00 C ATOM 76 ND1 HIS A 5 122.379 84.865 47.820 1.00 0.00 N ATOM 77 CD2 HIS A 5 124.158 84.071 46.788 1.00 0.00 C ATOM 78 CE1 HIS A 5 122.041 83.753 47.138 1.00 0.00 C ATOM 79 NE2 HIS A 5 123.088 83.235 46.495 1.00 0.00 N ATOM 0 H HIS A 5 122.167 86.889 47.193 1.00 0.00 H new ATOM 0 HA HIS A 5 124.665 88.375 47.873 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.531 86.044 48.267 1.00 0.00 H new ATOM 0 HB3 HIS A 5 124.127 86.403 49.251 1.00 0.00 H new ATOM 0 HD2 HIS A 5 125.167 83.942 46.426 1.00 0.00 H new ATOM 0 HE1 HIS A 5 121.046 83.334 47.115 1.00 0.00 H new ATOM 0 HE2 HIS A 5 123.101 82.399 45.910 1.00 0.00 H new ATOM 88 N LEU A 6 125.579 88.287 45.553 1.00 0.00 N ATOM 89 CA LEU A 6 126.229 88.195 44.205 1.00 0.00 C ATOM 90 C LEU A 6 127.726 87.915 44.407 1.00 0.00 C ATOM 91 O LEU A 6 128.359 88.476 45.280 1.00 0.00 O ATOM 92 CB LEU A 6 126.036 89.540 43.458 1.00 0.00 C ATOM 93 CG LEU A 6 125.017 89.421 42.303 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.750 88.660 42.757 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.644 90.840 41.830 1.00 0.00 C ATOM 0 H LEU A 6 125.793 89.139 46.071 1.00 0.00 H new ATOM 0 HA LEU A 6 125.782 87.394 43.616 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.698 90.300 44.162 1.00 0.00 H new ATOM 0 HB3 LEU A 6 126.995 89.875 43.062 1.00 0.00 H new ATOM 0 HG LEU A 6 125.465 88.858 41.484 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.049 88.591 41.925 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.025 87.657 43.084 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.281 89.195 43.583 1.00 0.00 H new ATOM 0 HD21 LEU A 6 123.925 90.774 41.014 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.204 91.396 42.658 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.540 91.355 41.483 1.00 0.00 H new ATOM 107 N CYS A 7 128.294 87.060 43.601 1.00 0.00 N ATOM 108 CA CYS A 7 129.749 86.747 43.734 1.00 0.00 C ATOM 109 C CYS A 7 130.307 86.395 42.350 1.00 0.00 C ATOM 110 O CYS A 7 129.602 86.438 41.365 1.00 0.00 O ATOM 111 CB CYS A 7 129.932 85.568 44.702 1.00 0.00 C ATOM 112 SG CYS A 7 131.546 85.703 45.514 1.00 0.00 S ATOM 0 H CYS A 7 127.812 86.562 42.852 1.00 0.00 H new ATOM 0 HA CYS A 7 130.286 87.609 44.130 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.136 85.568 45.447 1.00 0.00 H new ATOM 0 HB3 CYS A 7 129.862 84.624 44.161 1.00 0.00 H new ATOM 117 N GLY A 8 131.566 86.059 42.259 1.00 0.00 N ATOM 118 CA GLY A 8 132.144 85.724 40.922 1.00 0.00 C ATOM 119 C GLY A 8 131.758 86.824 39.929 1.00 0.00 C ATOM 120 O GLY A 8 131.719 87.987 40.273 1.00 0.00 O ATOM 0 H GLY A 8 132.215 86.002 43.044 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.229 85.640 40.990 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.770 84.759 40.580 1.00 0.00 H new ATOM 124 N SER A 9 131.454 86.476 38.706 1.00 0.00 N ATOM 125 CA SER A 9 131.055 87.526 37.723 1.00 0.00 C ATOM 126 C SER A 9 129.562 87.825 37.884 1.00 0.00 C ATOM 127 O SER A 9 129.069 88.821 37.397 1.00 0.00 O ATOM 128 CB SER A 9 131.360 87.069 36.298 1.00 0.00 C ATOM 129 OG SER A 9 131.034 85.693 36.158 1.00 0.00 O ATOM 0 H SER A 9 131.464 85.521 38.348 1.00 0.00 H new ATOM 0 HA SER A 9 131.627 88.434 37.914 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.788 87.663 35.585 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.414 87.228 36.072 1.00 0.00 H new ATOM 0 HG SER A 9 131.229 85.402 35.243 1.00 0.00 H new ATOM 135 N HIS A 10 128.829 86.999 38.595 1.00 0.00 N ATOM 136 CA HIS A 10 127.379 87.309 38.799 1.00 0.00 C ATOM 137 C HIS A 10 127.317 88.735 39.322 1.00 0.00 C ATOM 138 O HIS A 10 126.370 89.465 39.104 1.00 0.00 O ATOM 139 CB HIS A 10 126.767 86.356 39.832 1.00 0.00 C ATOM 140 CG HIS A 10 126.771 84.954 39.288 1.00 0.00 C ATOM 141 ND1 HIS A 10 125.629 84.352 38.778 1.00 0.00 N ATOM 142 CD2 HIS A 10 127.771 84.017 39.173 1.00 0.00 C ATOM 143 CE1 HIS A 10 125.967 83.109 38.384 1.00 0.00 C ATOM 144 NE2 HIS A 10 127.258 82.859 38.603 1.00 0.00 N ATOM 0 H HIS A 10 129.164 86.141 39.034 1.00 0.00 H new ATOM 0 HA HIS A 10 126.822 87.194 37.869 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.334 86.398 40.762 1.00 0.00 H new ATOM 0 HB3 HIS A 10 125.748 86.663 40.066 1.00 0.00 H new ATOM 0 HD2 HIS A 10 128.797 84.160 39.479 1.00 0.00 H new ATOM 0 HE1 HIS A 10 125.278 82.403 37.945 1.00 0.00 H new ATOM 0 HE2 HIS A 10 127.763 81.998 38.395 1.00 0.00 H new ATOM 153 N LEU A 11 128.366 89.136 39.985 1.00 0.00 N ATOM 154 CA LEU A 11 128.461 90.495 40.506 1.00 0.00 C ATOM 155 C LEU A 11 128.913 91.385 39.358 1.00 0.00 C ATOM 156 O LEU A 11 128.474 92.508 39.210 1.00 0.00 O ATOM 157 CB LEU A 11 129.510 90.483 41.601 1.00 0.00 C ATOM 158 CG LEU A 11 129.786 91.897 42.101 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.478 92.600 42.471 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.754 91.832 43.309 1.00 0.00 C ATOM 0 H LEU A 11 129.176 88.548 40.184 1.00 0.00 H new ATOM 0 HA LEU A 11 127.514 90.858 40.905 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.172 89.859 42.428 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.431 90.039 41.224 1.00 0.00 H new ATOM 0 HG LEU A 11 130.256 92.480 41.308 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.694 93.608 42.826 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.833 92.655 41.594 1.00 0.00 H new ATOM 0 HD13 LEU A 11 127.973 92.039 43.258 1.00 0.00 H new ATOM 0 HD21 LEU A 11 130.954 92.841 43.670 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.301 91.245 44.107 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.689 91.365 43.001 1.00 0.00 H new ATOM 172 N VAL A 12 129.787 90.873 38.525 1.00 0.00 N ATOM 173 CA VAL A 12 130.253 91.677 37.371 1.00 0.00 C ATOM 174 C VAL A 12 129.049 92.033 36.556 1.00 0.00 C ATOM 175 O VAL A 12 128.877 93.156 36.126 1.00 0.00 O ATOM 176 CB VAL A 12 131.194 90.869 36.443 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.257 91.569 35.068 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.608 90.762 37.036 1.00 0.00 C ATOM 0 H VAL A 12 130.191 89.939 38.600 1.00 0.00 H new ATOM 0 HA VAL A 12 130.790 92.545 37.754 1.00 0.00 H new ATOM 0 HB VAL A 12 130.800 89.858 36.338 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.917 91.010 34.405 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.258 91.611 34.635 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.641 92.581 35.192 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.243 90.189 36.361 1.00 0.00 H new ATOM 0 HG22 VAL A 12 133.024 91.761 37.166 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.560 90.260 38.002 1.00 0.00 H new ATOM 188 N GLU A 13 128.244 91.064 36.277 1.00 0.00 N ATOM 189 CA GLU A 13 127.091 91.323 35.432 1.00 0.00 C ATOM 190 C GLU A 13 126.380 92.560 35.919 1.00 0.00 C ATOM 191 O GLU A 13 126.263 93.533 35.216 1.00 0.00 O ATOM 192 CB GLU A 13 126.137 90.153 35.480 1.00 0.00 C ATOM 193 CG GLU A 13 125.242 90.196 34.242 1.00 0.00 C ATOM 194 CD GLU A 13 124.084 89.211 34.402 1.00 0.00 C ATOM 195 OE1 GLU A 13 123.205 89.216 33.556 1.00 0.00 O ATOM 196 OE2 GLU A 13 124.092 88.467 35.370 1.00 0.00 O1- ATOM 0 H GLU A 13 128.344 90.103 36.604 1.00 0.00 H new ATOM 0 HA GLU A 13 127.430 91.468 34.406 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.691 89.215 35.512 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.531 90.197 36.385 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.855 91.205 34.097 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.823 89.947 33.354 1.00 0.00 H new ATOM 203 N ALA A 14 125.934 92.524 37.144 1.00 0.00 N ATOM 204 CA ALA A 14 125.229 93.691 37.718 1.00 0.00 C ATOM 205 C ALA A 14 126.001 94.941 37.354 1.00 0.00 C ATOM 206 O ALA A 14 125.513 95.788 36.640 1.00 0.00 O ATOM 207 CB ALA A 14 125.202 93.544 39.243 1.00 0.00 C ATOM 0 H ALA A 14 126.031 91.727 37.773 1.00 0.00 H new ATOM 0 HA ALA A 14 124.211 93.753 37.333 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.685 94.397 39.682 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.679 92.626 39.511 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.223 93.504 39.623 1.00 0.00 H new ATOM 213 N LEU A 15 127.217 95.038 37.797 1.00 0.00 N ATOM 214 CA LEU A 15 128.044 96.218 37.450 1.00 0.00 C ATOM 215 C LEU A 15 127.906 96.496 35.953 1.00 0.00 C ATOM 216 O LEU A 15 127.704 97.617 35.537 1.00 0.00 O ATOM 217 CB LEU A 15 129.505 95.906 37.773 1.00 0.00 C ATOM 218 CG LEU A 15 129.699 95.868 39.295 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.879 94.965 39.636 1.00 0.00 C ATOM 220 CD2 LEU A 15 129.977 97.285 39.829 1.00 0.00 C ATOM 0 H LEU A 15 127.677 94.346 38.389 1.00 0.00 H new ATOM 0 HA LEU A 15 127.717 97.089 38.018 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.788 94.948 37.336 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.155 96.662 37.332 1.00 0.00 H new ATOM 0 HG LEU A 15 128.791 95.481 39.757 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.016 94.938 40.717 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.683 93.957 39.270 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.782 95.353 39.165 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.113 97.246 40.910 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.881 97.679 39.363 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.134 97.935 39.592 1.00 0.00 H new ATOM 232 N TYR A 16 127.993 95.474 35.144 1.00 0.00 N ATOM 233 CA TYR A 16 127.840 95.683 33.684 1.00 0.00 C ATOM 234 C TYR A 16 126.483 96.363 33.466 1.00 0.00 C ATOM 235 O TYR A 16 126.368 97.345 32.759 1.00 0.00 O ATOM 236 CB TYR A 16 127.950 94.305 32.953 1.00 0.00 C ATOM 237 CG TYR A 16 126.842 94.050 31.935 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.514 95.024 31.014 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.177 92.822 31.901 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.527 94.798 30.057 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.182 92.581 30.947 1.00 0.00 C ATOM 242 CZ TYR A 16 124.855 93.574 30.022 1.00 0.00 C ATOM 243 OH TYR A 16 123.876 93.346 29.075 1.00 0.00 O ATOM 0 H TYR A 16 128.162 94.511 35.433 1.00 0.00 H new ATOM 0 HA TYR A 16 128.623 96.320 33.271 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.914 94.250 32.447 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.935 93.509 33.697 1.00 0.00 H new ATOM 0 HD1 TYR A 16 127.029 95.973 31.035 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.432 92.054 32.616 1.00 0.00 H new ATOM 0 HE1 TYR A 16 125.281 95.569 29.342 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.669 91.631 30.926 1.00 0.00 H new ATOM 0 HH TYR A 16 123.512 92.444 29.192 1.00 0.00 H new ATOM 253 N LEU A 17 125.461 95.844 34.069 1.00 0.00 N ATOM 254 CA LEU A 17 124.106 96.437 33.899 1.00 0.00 C ATOM 255 C LEU A 17 124.109 97.908 34.276 1.00 0.00 C ATOM 256 O LEU A 17 123.805 98.778 33.484 1.00 0.00 O ATOM 257 CB LEU A 17 123.125 95.744 34.837 1.00 0.00 C ATOM 258 CG LEU A 17 123.271 94.245 34.712 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.241 93.542 35.602 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.097 93.803 33.267 1.00 0.00 C ATOM 0 H LEU A 17 125.501 95.027 34.679 1.00 0.00 H new ATOM 0 HA LEU A 17 123.819 96.313 32.855 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.311 96.052 35.866 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.104 96.041 34.595 1.00 0.00 H new ATOM 0 HG LEU A 17 124.274 93.970 35.037 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.354 92.462 35.506 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.399 93.832 36.641 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.236 93.831 35.294 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.206 92.720 33.202 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.106 94.089 32.916 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.854 94.282 32.646 1.00 0.00 H new ATOM 272 N VAL A 18 124.397 98.168 35.510 1.00 0.00 N ATOM 273 CA VAL A 18 124.368 99.549 36.011 1.00 0.00 C ATOM 274 C VAL A 18 125.437 100.400 35.303 1.00 0.00 C ATOM 275 O VAL A 18 125.233 101.569 35.043 1.00 0.00 O ATOM 276 CB VAL A 18 124.541 99.524 37.567 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.602 98.085 38.102 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.801 100.282 38.006 1.00 0.00 C ATOM 0 H VAL A 18 124.656 97.465 36.203 1.00 0.00 H new ATOM 0 HA VAL A 18 123.409 100.017 35.787 1.00 0.00 H new ATOM 0 HB VAL A 18 123.666 100.021 37.986 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.722 98.104 39.185 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.679 97.563 37.849 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.448 97.565 37.652 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.889 100.244 39.092 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.679 99.820 37.554 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.731 101.321 37.684 1.00 0.00 H new ATOM 288 N CYS A 19 126.573 99.837 35.007 1.00 0.00 N ATOM 289 CA CYS A 19 127.643 100.637 34.338 1.00 0.00 C ATOM 290 C CYS A 19 127.427 100.663 32.824 1.00 0.00 C ATOM 291 O CYS A 19 127.913 101.540 32.136 1.00 0.00 O ATOM 292 CB CYS A 19 129.001 99.999 34.620 1.00 0.00 C ATOM 293 SG CYS A 19 130.328 100.999 33.886 1.00 0.00 S ATOM 0 H CYS A 19 126.810 98.863 35.197 1.00 0.00 H new ATOM 0 HA CYS A 19 127.608 101.655 34.726 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.154 99.912 35.696 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.028 98.989 34.211 1.00 0.00 H new ATOM 298 N GLY A 20 126.720 99.707 32.292 1.00 0.00 N ATOM 299 CA GLY A 20 126.501 99.684 30.819 1.00 0.00 C ATOM 300 C GLY A 20 127.818 99.325 30.123 1.00 0.00 C ATOM 301 O GLY A 20 128.665 98.660 30.686 1.00 0.00 O ATOM 0 H GLY A 20 126.286 98.943 32.810 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.730 98.956 30.565 1.00 0.00 H new ATOM 0 HA3 GLY A 20 126.147 100.656 30.476 1.00 0.00 H new ATOM 305 N GLU A 21 128.000 99.757 28.903 1.00 0.00 N ATOM 306 CA GLU A 21 129.264 99.437 28.177 1.00 0.00 C ATOM 307 C GLU A 21 130.354 100.443 28.565 1.00 0.00 C ATOM 308 O GLU A 21 131.451 100.421 28.042 1.00 0.00 O ATOM 309 CB GLU A 21 129.015 99.512 26.667 1.00 0.00 C ATOM 310 CG GLU A 21 127.662 98.872 26.343 1.00 0.00 C ATOM 311 CD GLU A 21 127.475 98.818 24.826 1.00 0.00 C ATOM 312 OE1 GLU A 21 127.914 97.849 24.229 1.00 0.00 O ATOM 313 OE2 GLU A 21 126.894 99.746 24.289 1.00 0.00 O1- ATOM 0 H GLU A 21 127.328 100.317 28.378 1.00 0.00 H new ATOM 0 HA GLU A 21 129.590 98.432 28.446 1.00 0.00 H new ATOM 0 HB2 GLU A 21 129.027 100.551 26.336 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.811 98.997 26.130 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.613 97.867 26.762 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.857 99.447 26.799 1.00 0.00 H new ATOM 320 N ARG A 22 130.056 101.330 29.475 1.00 0.00 N ATOM 321 CA ARG A 22 131.066 102.343 29.896 1.00 0.00 C ATOM 322 C ARG A 22 132.253 101.655 30.570 1.00 0.00 C ATOM 323 O ARG A 22 133.172 102.302 31.035 1.00 0.00 O ATOM 324 CB ARG A 22 130.422 103.315 30.887 1.00 0.00 C ATOM 325 CG ARG A 22 129.361 104.152 30.172 1.00 0.00 C ATOM 326 CD ARG A 22 128.502 104.882 31.208 1.00 0.00 C ATOM 327 NE ARG A 22 127.475 105.706 30.510 1.00 0.00 N ATOM 328 CZ ARG A 22 126.557 106.327 31.197 1.00 0.00 C ATOM 329 NH1 ARG A 22 125.657 107.048 30.586 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 126.538 106.227 32.499 1.00 0.00 N ATOM 0 H ARG A 22 129.154 101.397 29.946 1.00 0.00 H new ATOM 0 HA ARG A 22 131.417 102.882 29.016 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.969 102.763 31.711 1.00 0.00 H new ATOM 0 HB3 ARG A 22 131.182 103.966 31.319 1.00 0.00 H new ATOM 0 HG2 ARG A 22 129.838 104.872 29.507 1.00 0.00 H new ATOM 0 HG3 ARG A 22 128.735 103.511 29.551 1.00 0.00 H new ATOM 0 HD2 ARG A 22 128.019 104.162 31.868 1.00 0.00 H new ATOM 0 HD3 ARG A 22 129.129 105.517 31.834 1.00 0.00 H new ATOM 0 HE ARG A 22 127.490 105.784 29.493 1.00 0.00 H new ATOM 0 HH11 ARG A 22 125.671 107.127 29.569 1.00 0.00 H new ATOM 0 HH12 ARG A 22 124.940 107.533 31.125 1.00 0.00 H new ATOM 0 HH21 ARG A 22 127.241 105.664 32.978 1.00 0.00 H new ATOM 0 HH22 ARG A 22 125.820 106.712 33.037 1.00 0.00 H new ATOM 344 N GLY A 23 132.244 100.352 30.649 1.00 0.00 N ATOM 345 CA GLY A 23 133.374 99.646 31.318 1.00 0.00 C ATOM 346 C GLY A 23 133.268 99.893 32.819 1.00 0.00 C ATOM 347 O GLY A 23 133.194 101.023 33.261 1.00 0.00 O ATOM 0 H GLY A 23 131.508 99.749 30.282 1.00 0.00 H new ATOM 0 HA2 GLY A 23 133.334 98.578 31.105 1.00 0.00 H new ATOM 0 HA3 GLY A 23 134.328 100.012 30.939 1.00 0.00 H new ATOM 351 N PHE A 24 133.229 98.847 33.607 1.00 0.00 N ATOM 352 CA PHE A 24 133.094 99.011 35.087 1.00 0.00 C ATOM 353 C PHE A 24 134.379 98.588 35.801 1.00 0.00 C ATOM 354 O PHE A 24 135.283 98.032 35.208 1.00 0.00 O ATOM 355 CB PHE A 24 131.931 98.144 35.561 1.00 0.00 C ATOM 356 CG PHE A 24 132.015 96.797 34.905 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.710 95.786 35.537 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.406 96.560 33.669 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.811 94.530 34.940 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.505 95.295 33.074 1.00 0.00 C ATOM 361 CZ PHE A 24 132.210 94.287 33.709 1.00 0.00 C ATOM 0 H PHE A 24 133.285 97.880 33.286 1.00 0.00 H new ATOM 0 HA PHE A 24 132.909 100.060 35.320 1.00 0.00 H new ATOM 0 HB2 PHE A 24 131.962 98.035 36.645 1.00 0.00 H new ATOM 0 HB3 PHE A 24 130.983 98.622 35.315 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.176 95.968 36.494 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.861 97.350 33.174 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.358 93.742 35.436 1.00 0.00 H new ATOM 0 HE2 PHE A 24 131.032 95.107 32.122 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.293 93.313 33.249 1.00 0.00 H new ATOM 371 N PHE A 25 134.464 98.863 37.080 1.00 0.00 N ATOM 372 CA PHE A 25 135.685 98.500 37.863 1.00 0.00 C ATOM 373 C PHE A 25 135.451 97.191 38.623 1.00 0.00 C ATOM 374 O PHE A 25 134.423 96.987 39.237 1.00 0.00 O ATOM 375 CB PHE A 25 135.991 99.615 38.866 1.00 0.00 C ATOM 376 CG PHE A 25 137.322 99.365 39.515 1.00 0.00 C ATOM 377 CD1 PHE A 25 137.390 99.091 40.883 1.00 0.00 C ATOM 378 CD2 PHE A 25 138.490 99.418 38.751 1.00 0.00 C ATOM 379 CE1 PHE A 25 138.622 98.869 41.485 1.00 0.00 C ATOM 380 CE2 PHE A 25 139.727 99.194 39.356 1.00 0.00 C ATOM 381 CZ PHE A 25 139.796 98.918 40.725 1.00 0.00 C ATOM 0 H PHE A 25 133.733 99.327 37.619 1.00 0.00 H new ATOM 0 HA PHE A 25 136.524 98.373 37.179 1.00 0.00 H new ATOM 0 HB2 PHE A 25 135.999 100.580 38.359 1.00 0.00 H new ATOM 0 HB3 PHE A 25 135.209 99.659 39.624 1.00 0.00 H new ATOM 0 HD1 PHE A 25 136.486 99.052 41.472 1.00 0.00 H new ATOM 0 HD2 PHE A 25 138.436 99.632 37.694 1.00 0.00 H new ATOM 0 HE1 PHE A 25 138.674 98.658 42.543 1.00 0.00 H new ATOM 0 HE2 PHE A 25 140.631 99.234 38.767 1.00 0.00 H new ATOM 0 HZ PHE A 25 140.753 98.743 41.195 1.00 0.00 H new ATOM 391 N TYR A 26 136.408 96.306 38.578 1.00 0.00 N ATOM 392 CA TYR A 26 136.286 94.995 39.284 1.00 0.00 C ATOM 393 C TYR A 26 137.624 94.260 39.102 1.00 0.00 C ATOM 394 O TYR A 26 138.656 94.880 38.961 1.00 0.00 O ATOM 395 CB TYR A 26 135.145 94.178 38.640 1.00 0.00 C ATOM 396 CG TYR A 26 134.467 93.228 39.595 1.00 0.00 C ATOM 397 CD1 TYR A 26 135.104 92.723 40.711 1.00 0.00 C ATOM 398 CD2 TYR A 26 133.187 92.806 39.295 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.471 91.788 41.521 1.00 0.00 C ATOM 400 CE2 TYR A 26 132.543 91.883 40.110 1.00 0.00 C ATOM 401 CZ TYR A 26 133.191 91.364 41.220 1.00 0.00 C ATOM 402 OH TYR A 26 132.576 90.421 42.013 1.00 0.00 O ATOM 0 H TYR A 26 137.285 96.436 38.074 1.00 0.00 H new ATOM 0 HA TYR A 26 136.062 95.131 40.342 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.402 94.865 38.235 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.545 93.611 37.800 1.00 0.00 H new ATOM 0 HD1 TYR A 26 136.101 93.057 40.956 1.00 0.00 H new ATOM 0 HD2 TYR A 26 132.684 93.195 38.422 1.00 0.00 H new ATOM 0 HE1 TYR A 26 134.980 91.392 42.387 1.00 0.00 H new ATOM 0 HE2 TYR A 26 131.536 91.569 39.878 1.00 0.00 H new ATOM 0 HH TYR A 26 132.436 89.600 41.496 1.00 0.00 H new ATOM 412 N THR A 27 137.609 92.952 39.061 1.00 0.00 N ATOM 413 CA THR A 27 138.879 92.183 38.841 1.00 0.00 C ATOM 414 C THR A 27 138.614 90.692 39.079 1.00 0.00 C ATOM 415 O THR A 27 137.606 90.301 39.631 1.00 0.00 O ATOM 416 CB THR A 27 140.010 92.675 39.790 1.00 0.00 C ATOM 417 OG1 THR A 27 139.477 93.577 40.748 1.00 0.00 O ATOM 418 CG2 THR A 27 141.124 93.373 38.991 1.00 0.00 C ATOM 0 H THR A 27 136.772 92.379 39.170 1.00 0.00 H new ATOM 0 HA THR A 27 139.208 92.345 37.815 1.00 0.00 H new ATOM 0 HB THR A 27 140.433 91.809 40.299 1.00 0.00 H new ATOM 0 HG1 THR A 27 139.565 94.495 40.417 1.00 0.00 H new ATOM 0 HG21 THR A 27 141.905 93.709 39.673 1.00 0.00 H new ATOM 0 HG22 THR A 27 141.548 92.673 38.271 1.00 0.00 H new ATOM 0 HG23 THR A 27 140.709 94.231 38.462 1.00 0.00 H new ATOM 426 N ASP A 28 139.534 89.864 38.664 1.00 0.00 N ATOM 427 CA ASP A 28 139.389 88.396 38.851 1.00 0.00 C ATOM 428 C ASP A 28 140.164 87.999 40.122 1.00 0.00 C ATOM 429 O ASP A 28 140.980 88.750 40.614 1.00 0.00 O ATOM 430 CB ASP A 28 139.978 87.698 37.598 1.00 0.00 C ATOM 431 CG ASP A 28 138.882 86.955 36.817 1.00 0.00 C ATOM 432 OD1 ASP A 28 137.774 87.466 36.758 1.00 0.00 O ATOM 433 OD2 ASP A 28 139.172 85.893 36.291 1.00 0.00 O1- ATOM 0 H ASP A 28 140.394 90.150 38.196 1.00 0.00 H new ATOM 0 HA ASP A 28 138.347 88.099 38.967 1.00 0.00 H new ATOM 0 HB2 ASP A 28 140.451 88.439 36.953 1.00 0.00 H new ATOM 0 HB3 ASP A 28 140.755 86.995 37.900 1.00 0.00 H new ATOM 438 N PRO A 29 139.865 86.850 40.664 1.00 0.00 N ATOM 439 CA PRO A 29 140.502 86.326 41.917 1.00 0.00 C ATOM 440 C PRO A 29 141.951 85.961 41.663 1.00 0.00 C ATOM 441 O PRO A 29 142.696 85.618 42.556 1.00 0.00 O ATOM 442 CB PRO A 29 139.704 85.058 42.206 1.00 0.00 C ATOM 443 CG PRO A 29 139.269 84.616 40.856 1.00 0.00 C ATOM 444 CD PRO A 29 138.884 85.900 40.138 1.00 0.00 C ATOM 0 HA PRO A 29 140.494 87.050 42.732 1.00 0.00 H new ATOM 0 HB2 PRO A 29 140.314 84.302 42.700 1.00 0.00 H new ATOM 0 HB3 PRO A 29 138.854 85.257 42.858 1.00 0.00 H new ATOM 0 HG2 PRO A 29 140.070 84.094 40.333 1.00 0.00 H new ATOM 0 HG3 PRO A 29 138.426 83.928 40.917 1.00 0.00 H new ATOM 0 HD2 PRO A 29 138.955 85.799 39.055 1.00 0.00 H new ATOM 0 HD3 PRO A 29 137.861 86.203 40.364 1.00 0.00 H new ATOM 452 N THR A 30 142.336 86.019 40.433 1.00 0.00 N ATOM 453 CA THR A 30 143.720 85.670 40.067 1.00 0.00 C ATOM 454 C THR A 30 144.493 86.974 39.814 1.00 0.00 C ATOM 455 O THR A 30 145.685 87.058 40.054 1.00 0.00 O ATOM 456 CB THR A 30 143.655 84.777 38.834 1.00 0.00 C ATOM 457 OG1 THR A 30 144.959 84.380 38.442 1.00 0.00 O ATOM 458 CG2 THR A 30 142.946 85.524 37.705 1.00 0.00 C ATOM 0 H THR A 30 141.741 86.298 39.653 1.00 0.00 H new ATOM 0 HA THR A 30 144.241 85.127 40.856 1.00 0.00 H new ATOM 0 HB THR A 30 143.090 83.875 39.068 1.00 0.00 H new ATOM 0 HG1 THR A 30 144.902 83.806 37.650 1.00 0.00 H new ATOM 0 HG21 THR A 30 142.898 84.887 36.821 1.00 0.00 H new ATOM 0 HG22 THR A 30 141.936 85.785 38.020 1.00 0.00 H new ATOM 0 HG23 THR A 30 143.498 86.433 37.467 1.00 0.00 H new ATOM 466 N GLU A 31 143.801 88.008 39.395 1.00 0.00 N ATOM 467 CA GLU A 31 144.463 89.335 39.193 1.00 0.00 C ATOM 468 C GLU A 31 144.663 89.961 40.583 1.00 0.00 C ATOM 469 O GLU A 31 145.358 90.952 40.748 1.00 0.00 O ATOM 470 CB GLU A 31 143.563 90.240 38.321 1.00 0.00 C ATOM 471 CG GLU A 31 142.802 89.372 37.322 1.00 0.00 C ATOM 472 CD GLU A 31 142.734 90.074 35.961 1.00 0.00 C ATOM 473 OE1 GLU A 31 143.784 90.372 35.417 1.00 0.00 O ATOM 474 OE2 GLU A 31 141.633 90.299 35.483 1.00 0.00 O1- ATOM 0 H GLU A 31 142.803 87.989 39.184 1.00 0.00 H new ATOM 0 HA GLU A 31 145.420 89.222 38.685 1.00 0.00 H new ATOM 0 HB2 GLU A 31 142.864 90.792 38.949 1.00 0.00 H new ATOM 0 HB3 GLU A 31 144.169 90.977 37.794 1.00 0.00 H new ATOM 0 HG2 GLU A 31 143.296 88.406 37.218 1.00 0.00 H new ATOM 0 HG3 GLU A 31 141.795 89.177 37.690 1.00 0.00 H new ATOM 481 N GLU A 32 144.068 89.334 41.581 1.00 0.00 N ATOM 482 CA GLU A 32 144.181 89.799 43.010 1.00 0.00 C ATOM 483 C GLU A 32 142.871 90.418 43.506 1.00 0.00 C ATOM 484 O GLU A 32 142.406 91.411 42.983 1.00 0.00 O ATOM 485 CB GLU A 32 145.273 90.841 43.165 1.00 0.00 C ATOM 486 CG GLU A 32 146.626 90.168 43.032 1.00 0.00 C ATOM 487 CD GLU A 32 147.708 91.180 43.421 1.00 0.00 C ATOM 488 OE1 GLU A 32 148.797 91.100 42.878 1.00 0.00 O ATOM 489 OE2 GLU A 32 147.418 92.033 44.247 1.00 0.00 O1- ATOM 0 H GLU A 32 143.495 88.499 41.460 1.00 0.00 H new ATOM 0 HA GLU A 32 144.419 88.914 43.600 1.00 0.00 H new ATOM 0 HB2 GLU A 32 145.163 91.616 42.407 1.00 0.00 H new ATOM 0 HB3 GLU A 32 145.190 91.330 44.136 1.00 0.00 H new ATOM 0 HG2 GLU A 32 146.678 89.290 43.676 1.00 0.00 H new ATOM 0 HG3 GLU A 32 146.779 89.823 42.010 1.00 0.00 H new ATOM 496 N GLY A 33 142.301 89.846 44.538 1.00 0.00 N ATOM 497 CA GLY A 33 141.036 90.387 45.120 1.00 0.00 C ATOM 498 C GLY A 33 140.650 91.716 44.449 1.00 0.00 C ATOM 499 O GLY A 33 141.486 92.484 44.028 1.00 0.00 O ATOM 0 H GLY A 33 142.664 89.016 45.007 1.00 0.00 H new ATOM 0 HA2 GLY A 33 140.232 89.662 44.991 1.00 0.00 H new ATOM 0 HA3 GLY A 33 141.159 90.538 46.192 1.00 0.00 H new ATOM 503 N PRO A 34 139.379 91.963 44.347 1.00 0.00 N ATOM 504 CA PRO A 34 138.821 93.190 43.705 1.00 0.00 C ATOM 505 C PRO A 34 138.723 94.432 44.608 1.00 0.00 C ATOM 506 O PRO A 34 137.655 94.989 44.781 1.00 0.00 O ATOM 507 CB PRO A 34 137.427 92.732 43.318 1.00 0.00 C ATOM 508 CG PRO A 34 137.041 91.770 44.380 1.00 0.00 C ATOM 509 CD PRO A 34 138.316 91.085 44.833 1.00 0.00 C ATOM 0 HA PRO A 34 139.468 93.526 42.895 1.00 0.00 H new ATOM 0 HB2 PRO A 34 136.733 93.571 43.272 1.00 0.00 H new ATOM 0 HB3 PRO A 34 137.423 92.260 42.335 1.00 0.00 H new ATOM 0 HG2 PRO A 34 136.562 92.285 45.213 1.00 0.00 H new ATOM 0 HG3 PRO A 34 136.324 91.042 44.000 1.00 0.00 H new ATOM 0 HD2 PRO A 34 138.349 90.980 45.917 1.00 0.00 H new ATOM 0 HD3 PRO A 34 138.402 90.083 44.413 1.00 0.00 H new ATOM 517 N ARG A 35 139.823 94.896 45.149 1.00 0.00 N ATOM 518 CA ARG A 35 139.787 96.127 45.996 1.00 0.00 C ATOM 519 C ARG A 35 139.314 95.809 47.411 1.00 0.00 C ATOM 520 O ARG A 35 139.746 96.426 48.361 1.00 0.00 O ATOM 521 CB ARG A 35 138.827 97.167 45.371 1.00 0.00 C ATOM 522 CG ARG A 35 137.632 97.409 46.310 1.00 0.00 C ATOM 523 CD ARG A 35 137.010 98.779 46.032 1.00 0.00 C ATOM 524 NE ARG A 35 137.505 99.750 47.050 1.00 0.00 N ATOM 525 CZ ARG A 35 136.701 100.645 47.559 1.00 0.00 C ATOM 526 NH1 ARG A 35 137.148 101.489 48.450 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 135.455 100.696 47.179 1.00 0.00 N ATOM 0 H ARG A 35 140.745 94.474 45.040 1.00 0.00 H new ATOM 0 HA ARG A 35 140.799 96.529 46.044 1.00 0.00 H new ATOM 0 HB2 ARG A 35 139.357 98.103 45.194 1.00 0.00 H new ATOM 0 HB3 ARG A 35 138.474 96.813 44.403 1.00 0.00 H new ATOM 0 HG2 ARG A 35 136.885 96.627 46.169 1.00 0.00 H new ATOM 0 HG3 ARG A 35 137.959 97.354 47.348 1.00 0.00 H new ATOM 0 HD2 ARG A 35 137.274 99.116 45.030 1.00 0.00 H new ATOM 0 HD3 ARG A 35 135.923 98.714 46.070 1.00 0.00 H new ATOM 0 HE ARG A 35 138.479 99.715 47.351 1.00 0.00 H new ATOM 0 HH11 ARG A 35 138.123 101.448 48.747 1.00 0.00 H new ATOM 0 HH12 ARG A 35 136.522 102.189 48.849 1.00 0.00 H new ATOM 0 HH21 ARG A 35 135.107 100.036 46.483 1.00 0.00 H new ATOM 0 HH22 ARG A 35 134.829 101.395 47.577 1.00 0.00 H new ATOM 541 N ARG A 36 138.383 94.911 47.558 1.00 0.00 N ATOM 542 CA ARG A 36 137.830 94.632 48.911 1.00 0.00 C ATOM 543 C ARG A 36 136.786 95.712 49.169 1.00 0.00 C ATOM 544 O ARG A 36 137.095 96.884 49.252 1.00 0.00 O ATOM 545 CB ARG A 36 138.927 94.690 49.980 1.00 0.00 C ATOM 546 CG ARG A 36 140.128 93.866 49.511 1.00 0.00 C ATOM 547 CD ARG A 36 141.426 94.642 49.743 1.00 0.00 C ATOM 548 NE ARG A 36 142.180 94.727 48.463 1.00 0.00 N ATOM 549 CZ ARG A 36 143.462 94.970 48.473 1.00 0.00 C ATOM 550 NH1 ARG A 36 144.120 95.040 47.348 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 144.087 95.142 49.608 1.00 0.00 N ATOM 0 H ARG A 36 137.981 94.358 46.801 1.00 0.00 H new ATOM 0 HA ARG A 36 137.399 93.632 48.957 1.00 0.00 H new ATOM 0 HB2 ARG A 36 139.226 95.723 50.156 1.00 0.00 H new ATOM 0 HB3 ARG A 36 138.551 94.301 50.926 1.00 0.00 H new ATOM 0 HG2 ARG A 36 140.161 92.919 50.050 1.00 0.00 H new ATOM 0 HG3 ARG A 36 140.023 93.627 48.453 1.00 0.00 H new ATOM 0 HD2 ARG A 36 141.204 95.642 50.116 1.00 0.00 H new ATOM 0 HD3 ARG A 36 142.030 94.146 50.503 1.00 0.00 H new ATOM 0 HE ARG A 36 141.694 94.595 47.576 1.00 0.00 H new ATOM 0 HH11 ARG A 36 143.632 94.905 46.463 1.00 0.00 H new ATOM 0 HH12 ARG A 36 145.122 95.230 47.354 1.00 0.00 H new ATOM 0 HH21 ARG A 36 143.573 95.086 50.487 1.00 0.00 H new ATOM 0 HH22 ARG A 36 145.089 95.332 49.615 1.00 0.00 H new ATOM 565 N GLY A 37 135.553 95.333 49.272 1.00 0.00 N ATOM 566 CA GLY A 37 134.473 96.337 49.496 1.00 0.00 C ATOM 567 C GLY A 37 133.185 95.815 48.872 1.00 0.00 C ATOM 568 O GLY A 37 132.189 95.616 49.536 1.00 0.00 O ATOM 0 H GLY A 37 135.237 94.365 49.211 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.333 96.510 50.563 1.00 0.00 H new ATOM 0 HA3 GLY A 37 134.748 97.293 49.051 1.00 0.00 H new ATOM 572 N ILE A 38 133.207 95.598 47.590 1.00 0.00 N ATOM 573 CA ILE A 38 131.999 95.093 46.888 1.00 0.00 C ATOM 574 C ILE A 38 131.897 93.576 47.045 1.00 0.00 C ATOM 575 O ILE A 38 130.844 93.028 47.281 1.00 0.00 O ATOM 576 CB ILE A 38 132.126 95.456 45.400 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.742 95.376 44.744 1.00 0.00 C ATOM 578 CG2 ILE A 38 133.131 94.514 44.684 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.876 95.447 43.223 1.00 0.00 C ATOM 0 H ILE A 38 134.019 95.751 46.992 1.00 0.00 H new ATOM 0 HA ILE A 38 131.102 95.543 47.313 1.00 0.00 H new ATOM 0 HB ILE A 38 132.509 96.472 45.310 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.249 94.447 45.030 1.00 0.00 H new ATOM 0 HG13 ILE A 38 130.115 96.193 45.100 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.203 94.791 43.632 1.00 0.00 H new ATOM 0 HG22 ILE A 38 134.111 94.605 45.152 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.785 93.484 44.765 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.887 95.389 42.768 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.350 96.388 42.943 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.486 94.615 42.872 1.00 0.00 H new ATOM 591 N VAL A 39 132.984 92.897 46.872 1.00 0.00 N ATOM 592 CA VAL A 39 132.975 91.424 46.956 1.00 0.00 C ATOM 593 C VAL A 39 132.760 90.950 48.391 1.00 0.00 C ATOM 594 O VAL A 39 131.810 90.257 48.691 1.00 0.00 O ATOM 595 CB VAL A 39 134.340 90.962 46.458 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.552 89.488 46.787 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.438 91.196 44.947 1.00 0.00 C ATOM 0 H VAL A 39 133.895 93.309 46.672 1.00 0.00 H new ATOM 0 HA VAL A 39 132.161 91.012 46.360 1.00 0.00 H new ATOM 0 HB VAL A 39 135.119 91.537 46.958 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.531 89.172 46.426 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.500 89.345 47.866 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.777 88.892 46.304 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.414 90.866 44.590 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.656 90.631 44.440 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.314 92.258 44.734 1.00 0.00 H new ATOM 607 N GLU A 40 133.643 91.290 49.272 1.00 0.00 N ATOM 608 CA GLU A 40 133.501 90.829 50.674 1.00 0.00 C ATOM 609 C GLU A 40 132.135 91.239 51.228 1.00 0.00 C ATOM 610 O GLU A 40 131.621 90.628 52.142 1.00 0.00 O ATOM 611 CB GLU A 40 134.617 91.444 51.509 1.00 0.00 C ATOM 612 CG GLU A 40 135.965 91.166 50.835 1.00 0.00 C ATOM 613 CD GLU A 40 137.098 91.447 51.823 1.00 0.00 C ATOM 614 OE1 GLU A 40 136.948 92.352 52.625 1.00 0.00 O ATOM 615 OE2 GLU A 40 138.098 90.750 51.760 1.00 0.00 O1- ATOM 0 H GLU A 40 134.461 91.869 49.085 1.00 0.00 H new ATOM 0 HA GLU A 40 133.572 89.742 50.713 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.462 92.518 51.609 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.607 91.025 52.515 1.00 0.00 H new ATOM 0 HG2 GLU A 40 136.009 90.130 50.500 1.00 0.00 H new ATOM 0 HG3 GLU A 40 136.077 91.792 49.950 1.00 0.00 H new ATOM 622 N GLN A 41 131.536 92.269 50.687 1.00 0.00 N ATOM 623 CA GLN A 41 130.197 92.711 51.190 1.00 0.00 C ATOM 624 C GLN A 41 129.079 92.081 50.350 1.00 0.00 C ATOM 625 O GLN A 41 128.114 91.562 50.875 1.00 0.00 O ATOM 626 CB GLN A 41 130.101 94.234 51.099 1.00 0.00 C ATOM 627 CG GLN A 41 128.849 94.713 51.837 1.00 0.00 C ATOM 628 CD GLN A 41 128.738 96.235 51.721 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.972 96.947 52.678 1.00 0.00 O ATOM 630 NE2 GLN A 41 128.389 96.766 50.583 1.00 0.00 N ATOM 0 H GLN A 41 131.915 92.824 49.919 1.00 0.00 H new ATOM 0 HA GLN A 41 130.084 92.392 52.226 1.00 0.00 H new ATOM 0 HB2 GLN A 41 130.990 94.691 51.534 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.061 94.545 50.055 1.00 0.00 H new ATOM 0 HG2 GLN A 41 127.962 94.240 51.415 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.898 94.420 52.886 1.00 0.00 H new ATOM 0 HE21 GLN A 41 128.193 96.168 49.780 1.00 0.00 H new ATOM 0 HE22 GLN A 41 128.312 97.779 50.495 1.00 0.00 H new ATOM 639 N CYS A 42 129.189 92.139 49.051 1.00 0.00 N ATOM 640 CA CYS A 42 128.122 91.564 48.178 1.00 0.00 C ATOM 641 C CYS A 42 128.232 90.037 48.130 1.00 0.00 C ATOM 642 O CYS A 42 127.241 89.342 48.023 1.00 0.00 O ATOM 643 CB CYS A 42 128.261 92.137 46.763 1.00 0.00 C ATOM 644 SG CYS A 42 128.384 93.943 46.847 1.00 0.00 S ATOM 0 H CYS A 42 129.973 92.561 48.554 1.00 0.00 H new ATOM 0 HA CYS A 42 127.148 91.829 48.589 1.00 0.00 H new ATOM 0 HB2 CYS A 42 129.146 91.724 46.278 1.00 0.00 H new ATOM 0 HB3 CYS A 42 127.402 91.849 46.157 1.00 0.00 H new ATOM 649 N CYS A 43 129.420 89.502 48.201 1.00 0.00 N ATOM 650 CA CYS A 43 129.564 88.017 48.151 1.00 0.00 C ATOM 651 C CYS A 43 129.223 87.415 49.516 1.00 0.00 C ATOM 652 O CYS A 43 128.766 86.293 49.608 1.00 0.00 O ATOM 653 CB CYS A 43 131.001 87.649 47.776 1.00 0.00 C ATOM 654 SG CYS A 43 131.105 85.865 47.480 1.00 0.00 S ATOM 0 H CYS A 43 130.292 90.023 48.291 1.00 0.00 H new ATOM 0 HA CYS A 43 128.881 87.619 47.401 1.00 0.00 H new ATOM 0 HB2 CYS A 43 131.308 88.196 46.884 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.683 87.937 48.576 1.00 0.00 H new ATOM 659 N HIS A 44 129.445 88.150 50.580 1.00 0.00 N ATOM 660 CA HIS A 44 129.138 87.618 51.948 1.00 0.00 C ATOM 661 C HIS A 44 127.827 88.221 52.460 1.00 0.00 C ATOM 662 O HIS A 44 127.189 87.676 53.339 1.00 0.00 O ATOM 663 CB HIS A 44 130.271 87.995 52.906 1.00 0.00 C ATOM 664 CG HIS A 44 130.147 87.198 54.175 1.00 0.00 C ATOM 665 ND1 HIS A 44 130.554 85.873 54.259 1.00 0.00 N ATOM 666 CD2 HIS A 44 129.661 87.521 55.419 1.00 0.00 C ATOM 667 CE1 HIS A 44 130.309 85.453 55.516 1.00 0.00 C ATOM 668 NE2 HIS A 44 129.767 86.419 56.259 1.00 0.00 N ATOM 0 H HIS A 44 129.826 89.096 50.561 1.00 0.00 H new ATOM 0 HA HIS A 44 129.041 86.534 51.896 1.00 0.00 H new ATOM 0 HB2 HIS A 44 131.236 87.803 52.437 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.232 89.061 53.129 1.00 0.00 H new ATOM 0 HD2 HIS A 44 129.259 88.483 55.701 1.00 0.00 H new ATOM 0 HE1 HIS A 44 130.525 84.458 55.877 1.00 0.00 H new ATOM 0 HE2 HIS A 44 129.489 86.361 57.239 1.00 0.00 H new ATOM 677 N SER A 45 127.420 89.345 51.922 1.00 0.00 N ATOM 678 CA SER A 45 126.149 89.988 52.384 1.00 0.00 C ATOM 679 C SER A 45 125.388 90.553 51.186 1.00 0.00 C ATOM 680 O SER A 45 125.739 90.328 50.046 1.00 0.00 O ATOM 681 CB SER A 45 126.471 91.132 53.350 1.00 0.00 C ATOM 682 OG SER A 45 125.300 91.467 54.085 1.00 0.00 O ATOM 0 H SER A 45 127.913 89.846 51.183 1.00 0.00 H new ATOM 0 HA SER A 45 125.538 89.239 52.887 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.269 90.836 54.030 1.00 0.00 H new ATOM 0 HB3 SER A 45 126.829 92.001 52.797 1.00 0.00 H new ATOM 0 HG SER A 45 125.501 92.198 54.706 1.00 0.00 H new ATOM 688 N ILE A 46 124.349 91.294 51.449 1.00 0.00 N ATOM 689 CA ILE A 46 123.553 91.893 50.344 1.00 0.00 C ATOM 690 C ILE A 46 124.251 93.182 49.896 1.00 0.00 C ATOM 691 O ILE A 46 125.229 93.599 50.484 1.00 0.00 O ATOM 692 CB ILE A 46 122.136 92.224 50.851 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.522 91.015 51.588 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.236 92.614 49.674 1.00 0.00 C ATOM 695 CD1 ILE A 46 120.949 90.003 50.592 1.00 0.00 C ATOM 0 H ILE A 46 124.015 91.511 52.388 1.00 0.00 H new ATOM 0 HA ILE A 46 123.477 91.195 49.511 1.00 0.00 H new ATOM 0 HB ILE A 46 122.210 93.059 51.547 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.282 90.535 52.204 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.735 91.355 52.261 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.236 92.846 50.042 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.651 93.489 49.173 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.180 91.785 48.969 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.522 89.160 51.135 1.00 0.00 H new ATOM 0 HD12 ILE A 46 120.173 90.480 49.994 1.00 0.00 H new ATOM 0 HD13 ILE A 46 121.744 89.647 49.937 1.00 0.00 H new ATOM 707 N CYS A 47 123.767 93.816 48.862 1.00 0.00 N ATOM 708 CA CYS A 47 124.417 95.073 48.391 1.00 0.00 C ATOM 709 C CYS A 47 123.381 95.963 47.705 1.00 0.00 C ATOM 710 O CYS A 47 122.291 95.534 47.384 1.00 0.00 O ATOM 711 CB CYS A 47 125.534 94.725 47.397 1.00 0.00 C ATOM 712 SG CYS A 47 127.083 94.475 48.293 1.00 0.00 S ATOM 0 H CYS A 47 122.952 93.519 48.325 1.00 0.00 H new ATOM 0 HA CYS A 47 124.839 95.605 49.244 1.00 0.00 H new ATOM 0 HB2 CYS A 47 125.273 93.824 46.842 1.00 0.00 H new ATOM 0 HB3 CYS A 47 125.649 95.527 46.668 1.00 0.00 H new ATOM 717 N SER A 48 123.727 97.202 47.467 1.00 0.00 N ATOM 718 CA SER A 48 122.785 98.139 46.788 1.00 0.00 C ATOM 719 C SER A 48 123.188 98.283 45.320 1.00 0.00 C ATOM 720 O SER A 48 124.294 97.964 44.928 1.00 0.00 O ATOM 721 CB SER A 48 122.835 99.512 47.480 1.00 0.00 C ATOM 722 OG SER A 48 121.534 100.086 47.468 1.00 0.00 O ATOM 0 H SER A 48 124.629 97.607 47.716 1.00 0.00 H new ATOM 0 HA SER A 48 121.770 97.746 46.848 1.00 0.00 H new ATOM 0 HB2 SER A 48 123.189 99.404 48.505 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.540 100.166 46.967 1.00 0.00 H new ATOM 0 HG SER A 48 121.558 100.961 47.909 1.00 0.00 H new ATOM 728 N LEU A 49 122.303 98.785 44.520 1.00 0.00 N ATOM 729 CA LEU A 49 122.599 98.998 43.090 1.00 0.00 C ATOM 730 C LEU A 49 123.359 100.316 42.997 1.00 0.00 C ATOM 731 O LEU A 49 124.229 100.512 42.172 1.00 0.00 O ATOM 732 CB LEU A 49 121.242 99.021 42.345 1.00 0.00 C ATOM 733 CG LEU A 49 121.205 100.080 41.244 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.300 99.812 40.198 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.828 100.039 40.587 1.00 0.00 C ATOM 0 H LEU A 49 121.364 99.063 44.806 1.00 0.00 H new ATOM 0 HA LEU A 49 123.212 98.219 42.638 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.052 98.040 41.910 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.441 99.213 43.059 1.00 0.00 H new ATOM 0 HG LEU A 49 121.388 101.065 41.674 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.257 100.577 39.422 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.277 99.838 40.680 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.142 98.831 39.749 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.779 100.788 39.797 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.658 99.050 40.161 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.062 100.249 41.334 1.00 0.00 H new ATOM 747 N GLU A 50 123.030 101.204 43.875 1.00 0.00 N ATOM 748 CA GLU A 50 123.698 102.519 43.921 1.00 0.00 C ATOM 749 C GLU A 50 125.158 102.306 44.249 1.00 0.00 C ATOM 750 O GLU A 50 126.030 103.071 43.886 1.00 0.00 O ATOM 751 CB GLU A 50 123.031 103.310 45.029 1.00 0.00 C ATOM 752 CG GLU A 50 121.543 103.446 44.711 1.00 0.00 C ATOM 753 CD GLU A 50 120.926 104.540 45.583 1.00 0.00 C ATOM 754 OE1 GLU A 50 121.268 105.694 45.382 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.124 104.206 46.438 1.00 0.00 O1- ATOM 0 H GLU A 50 122.307 101.070 44.582 1.00 0.00 H new ATOM 0 HA GLU A 50 123.622 103.048 42.971 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.168 102.807 45.986 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.489 104.295 45.118 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.407 103.688 43.657 1.00 0.00 H new ATOM 0 HG3 GLU A 50 121.036 102.498 44.888 1.00 0.00 H new ATOM 762 N GLN A 51 125.404 101.253 44.942 1.00 0.00 N ATOM 763 CA GLN A 51 126.790 100.905 45.347 1.00 0.00 C ATOM 764 C GLN A 51 127.580 100.435 44.119 1.00 0.00 C ATOM 765 O GLN A 51 128.784 100.554 44.067 1.00 0.00 O ATOM 766 CB GLN A 51 126.732 99.790 46.396 1.00 0.00 C ATOM 767 CG GLN A 51 128.131 99.199 46.616 1.00 0.00 C ATOM 768 CD GLN A 51 128.153 98.407 47.922 1.00 0.00 C ATOM 769 OE1 GLN A 51 129.194 97.958 48.358 1.00 0.00 O ATOM 770 NE2 GLN A 51 127.039 98.217 48.567 1.00 0.00 N ATOM 0 H GLN A 51 124.691 100.595 45.258 1.00 0.00 H new ATOM 0 HA GLN A 51 127.287 101.777 45.771 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.343 100.184 47.335 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.046 99.008 46.070 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.398 98.551 45.781 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.873 99.997 46.650 1.00 0.00 H new ATOM 0 HE21 GLN A 51 126.166 98.595 48.199 1.00 0.00 H new ATOM 0 HE22 GLN A 51 127.039 97.690 49.440 1.00 0.00 H new ATOM 779 N LEU A 52 126.911 99.912 43.129 1.00 0.00 N ATOM 780 CA LEU A 52 127.610 99.446 41.902 1.00 0.00 C ATOM 781 C LEU A 52 127.775 100.636 40.956 1.00 0.00 C ATOM 782 O LEU A 52 128.604 100.642 40.072 1.00 0.00 O ATOM 783 CB LEU A 52 126.708 98.429 41.193 1.00 0.00 C ATOM 784 CG LEU A 52 126.255 97.321 42.118 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.255 96.466 41.347 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.434 96.459 42.517 1.00 0.00 C ATOM 0 H LEU A 52 125.899 99.787 43.119 1.00 0.00 H new ATOM 0 HA LEU A 52 128.575 99.011 42.162 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.835 98.941 40.788 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.245 97.997 40.348 1.00 0.00 H new ATOM 0 HG LEU A 52 125.809 97.741 43.019 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.904 95.653 41.983 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.408 97.081 41.044 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.737 96.051 40.462 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.095 95.665 43.183 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.881 96.019 41.626 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.175 97.071 43.030 1.00 0.00 H new ATOM 798 N GLU A 53 126.938 101.617 41.103 1.00 0.00 N ATOM 799 CA GLU A 53 126.978 102.781 40.196 1.00 0.00 C ATOM 800 C GLU A 53 128.208 103.646 40.473 1.00 0.00 C ATOM 801 O GLU A 53 128.623 104.425 39.638 1.00 0.00 O ATOM 802 CB GLU A 53 125.676 103.571 40.401 1.00 0.00 C ATOM 803 CG GLU A 53 124.667 103.210 39.303 1.00 0.00 C ATOM 804 CD GLU A 53 123.384 104.020 39.497 1.00 0.00 C ATOM 805 OE1 GLU A 53 123.486 105.176 39.872 1.00 0.00 O ATOM 806 OE2 GLU A 53 122.320 103.468 39.268 1.00 0.00 O1- ATOM 0 H GLU A 53 126.218 101.659 41.825 1.00 0.00 H new ATOM 0 HA GLU A 53 127.056 102.456 39.159 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.255 103.347 41.381 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.883 104.641 40.380 1.00 0.00 H new ATOM 0 HG2 GLU A 53 125.094 103.416 38.321 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.444 102.144 39.337 1.00 0.00 H new ATOM 813 N ASN A 54 128.815 103.504 41.613 1.00 0.00 N ATOM 814 CA ASN A 54 130.036 104.312 41.890 1.00 0.00 C ATOM 815 C ASN A 54 131.225 103.550 41.322 1.00 0.00 C ATOM 816 O ASN A 54 132.335 104.041 41.260 1.00 0.00 O ATOM 817 CB ASN A 54 130.200 104.528 43.395 1.00 0.00 C ATOM 818 CG ASN A 54 130.518 103.214 44.095 1.00 0.00 C ATOM 819 OD1 ASN A 54 131.600 102.679 43.955 1.00 0.00 O ATOM 820 ND2 ASN A 54 129.616 102.677 44.865 1.00 0.00 N ATOM 0 H ASN A 54 128.526 102.872 42.359 1.00 0.00 H new ATOM 0 HA ASN A 54 129.961 105.296 41.426 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.998 105.247 43.580 1.00 0.00 H new ATOM 0 HB3 ASN A 54 129.286 104.954 43.808 1.00 0.00 H new ATOM 0 HD21 ASN A 54 129.816 101.804 45.353 1.00 0.00 H new ATOM 0 HD22 ASN A 54 128.709 103.129 44.980 1.00 0.00 H new ATOM 827 N TYR A 55 130.983 102.335 40.911 1.00 0.00 N ATOM 828 CA TYR A 55 132.069 101.493 40.340 1.00 0.00 C ATOM 829 C TYR A 55 132.229 101.822 38.855 1.00 0.00 C ATOM 830 O TYR A 55 133.293 101.683 38.287 1.00 0.00 O ATOM 831 CB TYR A 55 131.730 100.002 40.497 1.00 0.00 C ATOM 832 CG TYR A 55 131.922 99.617 41.926 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.242 100.295 42.921 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.819 98.626 42.249 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.465 99.982 44.252 1.00 0.00 C ATOM 836 CE2 TYR A 55 133.037 98.298 43.576 1.00 0.00 C ATOM 837 CZ TYR A 55 132.365 98.981 44.589 1.00 0.00 C ATOM 838 OH TYR A 55 132.592 98.676 45.914 1.00 0.00 O ATOM 0 H TYR A 55 130.068 101.886 40.948 1.00 0.00 H new ATOM 0 HA TYR A 55 132.997 101.701 40.872 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.701 99.814 40.190 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.370 99.399 39.854 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.536 101.070 42.660 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.353 98.104 41.468 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.938 100.517 45.028 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.731 97.510 43.828 1.00 0.00 H new ATOM 0 HH TYR A 55 131.782 98.858 46.435 1.00 0.00 H new ATOM 848 N CYS A 56 131.171 102.252 38.224 1.00 0.00 N ATOM 849 CA CYS A 56 131.248 102.587 36.776 1.00 0.00 C ATOM 850 C CYS A 56 132.131 103.808 36.568 1.00 0.00 C ATOM 851 O CYS A 56 131.803 104.911 36.960 1.00 0.00 O ATOM 852 CB CYS A 56 129.861 102.876 36.225 1.00 0.00 C ATOM 853 SG CYS A 56 129.926 102.909 34.417 1.00 0.00 S ATOM 0 H CYS A 56 130.254 102.386 38.651 1.00 0.00 H new ATOM 0 HA CYS A 56 131.675 101.733 36.249 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.158 102.113 36.561 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.499 103.832 36.604 1.00 0.00 H new ATOM 858 N ASN A 57 133.249 103.609 35.952 1.00 0.00 N ATOM 859 CA ASN A 57 134.186 104.738 35.696 1.00 0.00 C ATOM 860 C ASN A 57 133.414 105.922 35.106 1.00 0.00 C ATOM 861 O ASN A 57 132.377 105.688 34.507 1.00 0.00 O ATOM 862 CB ASN A 57 135.264 104.290 34.706 1.00 0.00 C ATOM 863 CG ASN A 57 135.971 103.048 35.250 1.00 0.00 C ATOM 864 OD1 ASN A 57 135.431 101.959 35.206 1.00 0.00 O ATOM 865 ND2 ASN A 57 137.165 103.162 35.764 1.00 0.00 N ATOM 866 OXT ASN A 57 133.872 107.041 35.264 1.00 0.00 O ATOM 0 H ASN A 57 133.565 102.702 35.607 1.00 0.00 H new ATOM 0 HA ASN A 57 134.653 105.041 36.633 1.00 0.00 H new ATOM 0 HB2 ASN A 57 134.815 104.071 33.737 1.00 0.00 H new ATOM 0 HB3 ASN A 57 135.985 105.092 34.549 1.00 0.00 H new ATOM 0 HD21 ASN A 57 137.644 102.339 36.128 1.00 0.00 H new ATOM 0 HD22 ASN A 57 137.619 104.075 35.802 1.00 0.00 H new