USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -4.29! C(o=-4.3!,f=-3.6!) USER MOD Single : A 4 GLN : amide:sc= -9.38! C(o=-9.4!,f=-17!) USER MOD Single : A 5 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-2.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 10 HIS : no HD1:sc= -24.7! C(o=-25!,f=-42!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 119:sc= 0.497 USER MOD Single : A 27 THR OG1 : rot 30:sc= 0.242! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 44 HIS : no HD1:sc= -2.03! C(o=-2!,f=-6.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -10.6! C(o=-11!,f=-10!) USER MOD Single : A 54 ASN : amide:sc= -7.82! C(o=-7.8!,f=-7.3!) USER MOD Single : A 55 TYR OH : rot 69:sc= -0.546 USER MOD Single : A 57 ASN : amide:sc= -0.879 K(o=-0.88,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.690 89.093 39.629 1.00 0.00 N ATOM 2 CA PHE A 1 120.316 90.413 39.561 1.00 0.00 C ATOM 3 C PHE A 1 119.392 91.431 40.225 1.00 0.00 C ATOM 4 O PHE A 1 118.595 92.013 39.590 1.00 0.00 O ATOM 5 CB PHE A 1 120.530 90.837 38.105 1.00 0.00 C ATOM 6 CG PHE A 1 120.565 92.364 38.099 1.00 0.00 C ATOM 7 CD1 PHE A 1 121.773 93.060 38.154 1.00 0.00 C ATOM 8 CD2 PHE A 1 119.346 93.091 38.053 1.00 0.00 C ATOM 9 CE1 PHE A 1 121.752 94.484 38.160 1.00 0.00 C ATOM 10 CE2 PHE A 1 119.326 94.505 38.057 1.00 0.00 C ATOM 11 CZ PHE A 1 120.523 95.202 38.111 1.00 0.00 C ATOM 0 H1 PHE A 1 120.311 88.391 39.179 1.00 0.00 H new ATOM 0 H2 PHE A 1 119.536 88.833 40.624 1.00 0.00 H new ATOM 0 H3 PHE A 1 118.777 89.116 39.132 1.00 0.00 H new ATOM 0 HA PHE A 1 121.280 90.369 40.067 1.00 0.00 H new ATOM 0 HB2 PHE A 1 121.461 90.426 37.714 1.00 0.00 H new ATOM 0 HB3 PHE A 1 119.726 90.465 37.470 1.00 0.00 H new ATOM 0 HD1 PHE A 1 122.711 92.526 38.192 1.00 0.00 H new ATOM 0 HD2 PHE A 1 118.412 92.551 38.014 1.00 0.00 H new ATOM 0 HE1 PHE A 1 122.684 95.029 38.202 1.00 0.00 H new ATOM 0 HE2 PHE A 1 118.387 95.037 38.018 1.00 0.00 H new ATOM 0 HZ PHE A 1 120.524 96.282 38.116 1.00 0.00 H new ATOM 23 N VAL A 2 119.403 91.586 41.520 1.00 0.00 N ATOM 24 CA VAL A 2 118.465 92.526 42.188 1.00 0.00 C ATOM 25 C VAL A 2 118.946 92.721 43.621 1.00 0.00 C ATOM 26 O VAL A 2 118.763 93.761 44.215 1.00 0.00 O ATOM 27 CB VAL A 2 117.036 91.959 42.190 1.00 0.00 C ATOM 28 CG1 VAL A 2 116.479 91.947 40.766 1.00 0.00 C ATOM 29 CG2 VAL A 2 117.034 90.528 42.738 1.00 0.00 C ATOM 0 H VAL A 2 120.033 91.092 42.152 1.00 0.00 H new ATOM 0 HA VAL A 2 118.446 93.475 41.653 1.00 0.00 H new ATOM 0 HB VAL A 2 116.414 92.591 42.824 1.00 0.00 H new ATOM 0 HG11 VAL A 2 115.466 91.544 40.775 1.00 0.00 H new ATOM 0 HG12 VAL A 2 116.462 92.964 40.374 1.00 0.00 H new ATOM 0 HG13 VAL A 2 117.112 91.325 40.133 1.00 0.00 H new ATOM 0 HG21 VAL A 2 116.016 90.138 42.734 1.00 0.00 H new ATOM 0 HG22 VAL A 2 117.666 89.898 42.112 1.00 0.00 H new ATOM 0 HG23 VAL A 2 117.418 90.528 43.758 1.00 0.00 H new ATOM 39 N ASN A 3 119.569 91.709 44.166 1.00 0.00 N ATOM 40 CA ASN A 3 120.088 91.774 45.561 1.00 0.00 C ATOM 41 C ASN A 3 120.863 90.478 45.843 1.00 0.00 C ATOM 42 O ASN A 3 121.977 90.296 45.397 1.00 0.00 O ATOM 43 CB ASN A 3 118.897 91.890 46.537 1.00 0.00 C ATOM 44 CG ASN A 3 118.510 93.360 46.733 1.00 0.00 C ATOM 45 OD1 ASN A 3 119.226 94.110 47.366 1.00 0.00 O ATOM 46 ND2 ASN A 3 117.399 93.800 46.209 1.00 0.00 N ATOM 0 H ASN A 3 119.742 90.823 43.691 1.00 0.00 H new ATOM 0 HA ASN A 3 120.742 92.637 45.689 1.00 0.00 H new ATOM 0 HB2 ASN A 3 118.045 91.331 46.150 1.00 0.00 H new ATOM 0 HB3 ASN A 3 119.160 91.445 47.497 1.00 0.00 H new ATOM 0 HD21 ASN A 3 117.129 94.776 46.330 1.00 0.00 H new ATOM 0 HD22 ASN A 3 116.800 93.168 45.678 1.00 0.00 H new ATOM 53 N GLN A 4 120.246 89.581 46.562 1.00 0.00 N ATOM 54 CA GLN A 4 120.866 88.262 46.907 1.00 0.00 C ATOM 55 C GLN A 4 122.385 88.350 47.103 1.00 0.00 C ATOM 56 O GLN A 4 122.956 89.408 47.281 1.00 0.00 O ATOM 57 CB GLN A 4 120.545 87.233 45.810 1.00 0.00 C ATOM 58 CG GLN A 4 121.189 87.623 44.461 1.00 0.00 C ATOM 59 CD GLN A 4 120.306 88.633 43.729 1.00 0.00 C ATOM 60 OE1 GLN A 4 120.779 89.662 43.289 1.00 0.00 O ATOM 61 NE2 GLN A 4 119.036 88.384 43.575 1.00 0.00 N ATOM 0 H GLN A 4 119.307 89.709 46.938 1.00 0.00 H new ATOM 0 HA GLN A 4 120.437 87.948 47.859 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.905 86.250 46.115 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.465 87.154 45.689 1.00 0.00 H new ATOM 0 HG2 GLN A 4 122.178 88.049 44.631 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.326 86.735 43.845 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.637 87.521 43.944 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.441 89.052 43.086 1.00 0.00 H new ATOM 70 N HIS A 5 123.035 87.210 47.076 1.00 0.00 N ATOM 71 CA HIS A 5 124.516 87.158 47.257 1.00 0.00 C ATOM 72 C HIS A 5 125.200 86.990 45.894 1.00 0.00 C ATOM 73 O HIS A 5 125.114 85.952 45.268 1.00 0.00 O ATOM 74 CB HIS A 5 124.872 85.969 48.150 1.00 0.00 C ATOM 75 CG HIS A 5 124.151 84.743 47.660 1.00 0.00 C ATOM 76 ND1 HIS A 5 122.897 84.382 48.136 1.00 0.00 N ATOM 77 CD2 HIS A 5 124.492 83.785 46.737 1.00 0.00 C ATOM 78 CE1 HIS A 5 122.533 83.250 47.503 1.00 0.00 C ATOM 79 NE2 HIS A 5 123.470 82.847 46.643 1.00 0.00 N ATOM 0 H HIS A 5 122.593 86.302 46.934 1.00 0.00 H new ATOM 0 HA HIS A 5 124.857 88.084 47.720 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.949 85.800 48.138 1.00 0.00 H new ATOM 0 HB3 HIS A 5 124.594 86.180 49.183 1.00 0.00 H new ATOM 0 HD2 HIS A 5 125.412 83.764 46.172 1.00 0.00 H new ATOM 0 HE1 HIS A 5 121.600 82.733 47.671 1.00 0.00 H new ATOM 0 HE2 HIS A 5 123.442 82.023 46.042 1.00 0.00 H new ATOM 88 N LEU A 6 125.888 87.999 45.440 1.00 0.00 N ATOM 89 CA LEU A 6 126.600 87.914 44.128 1.00 0.00 C ATOM 90 C LEU A 6 128.115 87.673 44.415 1.00 0.00 C ATOM 91 O LEU A 6 128.843 88.598 44.717 1.00 0.00 O ATOM 92 CB LEU A 6 126.388 89.290 43.396 1.00 0.00 C ATOM 93 CG LEU A 6 125.524 89.190 42.102 1.00 0.00 C ATOM 94 CD1 LEU A 6 124.358 88.187 42.242 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.968 90.591 41.751 1.00 0.00 C ATOM 0 H LEU A 6 125.991 88.890 45.925 1.00 0.00 H new ATOM 0 HA LEU A 6 126.224 87.102 43.505 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.913 89.988 44.085 1.00 0.00 H new ATOM 0 HB3 LEU A 6 127.362 89.708 43.140 1.00 0.00 H new ATOM 0 HG LEU A 6 126.168 88.822 41.304 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.790 88.158 41.312 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.755 87.195 42.456 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.705 88.500 43.057 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.363 90.526 40.847 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.353 90.955 42.574 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.796 91.280 41.585 1.00 0.00 H new ATOM 107 N CYS A 7 128.608 86.447 44.230 1.00 0.00 N ATOM 108 CA CYS A 7 130.091 86.168 44.389 1.00 0.00 C ATOM 109 C CYS A 7 130.582 85.588 43.046 1.00 0.00 C ATOM 110 O CYS A 7 130.137 84.541 42.618 1.00 0.00 O ATOM 111 CB CYS A 7 130.319 85.124 45.490 1.00 0.00 C ATOM 112 SG CYS A 7 129.352 85.548 46.956 1.00 0.00 S ATOM 0 H CYS A 7 128.046 85.634 43.977 1.00 0.00 H new ATOM 0 HA CYS A 7 130.624 87.080 44.658 1.00 0.00 H new ATOM 0 HB2 CYS A 7 130.034 84.136 45.130 1.00 0.00 H new ATOM 0 HB3 CYS A 7 131.378 85.077 45.744 1.00 0.00 H new ATOM 117 N GLY A 8 131.457 86.289 42.358 1.00 0.00 N ATOM 118 CA GLY A 8 131.928 85.826 41.003 1.00 0.00 C ATOM 119 C GLY A 8 131.540 86.888 39.934 1.00 0.00 C ATOM 120 O GLY A 8 131.643 88.074 40.174 1.00 0.00 O ATOM 0 H GLY A 8 131.869 87.166 42.676 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.008 85.679 41.011 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.477 84.864 40.757 1.00 0.00 H new ATOM 124 N SER A 9 131.123 86.471 38.746 1.00 0.00 N ATOM 125 CA SER A 9 130.766 87.467 37.659 1.00 0.00 C ATOM 126 C SER A 9 129.295 87.953 37.715 1.00 0.00 C ATOM 127 O SER A 9 129.025 89.052 37.285 1.00 0.00 O ATOM 128 CB SER A 9 131.062 86.865 36.287 1.00 0.00 C ATOM 129 OG SER A 9 130.580 85.528 36.240 1.00 0.00 O ATOM 0 H SER A 9 131.015 85.491 38.483 1.00 0.00 H new ATOM 0 HA SER A 9 131.386 88.346 37.833 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.588 87.461 35.507 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.135 86.883 36.094 1.00 0.00 H new ATOM 0 HG SER A 9 130.769 85.143 35.359 1.00 0.00 H new ATOM 135 N HIS A 10 128.333 87.197 38.232 1.00 0.00 N ATOM 136 CA HIS A 10 126.908 87.743 38.284 1.00 0.00 C ATOM 137 C HIS A 10 127.013 89.183 38.804 1.00 0.00 C ATOM 138 O HIS A 10 126.158 90.022 38.594 1.00 0.00 O ATOM 139 CB HIS A 10 126.051 86.945 39.290 1.00 0.00 C ATOM 140 CG HIS A 10 126.942 86.611 40.402 1.00 0.00 C ATOM 141 ND1 HIS A 10 127.877 87.515 40.801 1.00 0.00 N ATOM 142 CD2 HIS A 10 127.131 85.493 41.152 1.00 0.00 C ATOM 143 CE1 HIS A 10 128.596 86.973 41.728 1.00 0.00 C ATOM 144 NE2 HIS A 10 128.193 85.723 41.999 1.00 0.00 N ATOM 0 H HIS A 10 128.460 86.258 38.609 1.00 0.00 H new ATOM 0 HA HIS A 10 126.448 87.677 37.298 1.00 0.00 H new ATOM 0 HB2 HIS A 10 125.202 87.536 39.634 1.00 0.00 H new ATOM 0 HB3 HIS A 10 125.647 86.044 38.829 1.00 0.00 H new ATOM 0 HD2 HIS A 10 126.551 84.584 41.094 1.00 0.00 H new ATOM 0 HE1 HIS A 10 129.420 87.466 42.223 1.00 0.00 H new ATOM 0 HE2 HIS A 10 128.588 85.080 42.685 1.00 0.00 H new ATOM 153 N LEU A 11 128.097 89.437 39.489 1.00 0.00 N ATOM 154 CA LEU A 11 128.381 90.742 40.065 1.00 0.00 C ATOM 155 C LEU A 11 128.902 91.593 38.932 1.00 0.00 C ATOM 156 O LEU A 11 128.404 92.665 38.651 1.00 0.00 O ATOM 157 CB LEU A 11 129.477 90.545 41.108 1.00 0.00 C ATOM 158 CG LEU A 11 129.835 91.866 41.755 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.578 92.557 42.304 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.835 91.606 42.881 1.00 0.00 C ATOM 0 H LEU A 11 128.821 88.741 39.669 1.00 0.00 H new ATOM 0 HA LEU A 11 127.511 91.206 40.529 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.141 89.840 41.868 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.360 90.112 40.639 1.00 0.00 H new ATOM 0 HG LEU A 11 130.281 92.527 41.012 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.856 93.505 42.765 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.879 92.741 41.489 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.106 91.916 43.049 1.00 0.00 H new ATOM 0 HD21 LEU A 11 131.102 92.550 43.356 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.386 90.942 43.620 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.731 91.140 42.471 1.00 0.00 H new ATOM 172 N VAL A 12 129.880 91.075 38.234 1.00 0.00 N ATOM 173 CA VAL A 12 130.415 91.796 37.059 1.00 0.00 C ATOM 174 C VAL A 12 129.239 92.186 36.216 1.00 0.00 C ATOM 175 O VAL A 12 129.065 93.321 35.828 1.00 0.00 O ATOM 176 CB VAL A 12 131.260 90.866 36.181 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.510 91.566 34.825 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.583 90.530 36.868 1.00 0.00 C ATOM 0 H VAL A 12 130.327 90.180 38.434 1.00 0.00 H new ATOM 0 HA VAL A 12 131.016 92.638 37.403 1.00 0.00 H new ATOM 0 HB VAL A 12 130.728 89.928 36.019 1.00 0.00 H new ATOM 0 HG11 VAL A 12 132.111 90.918 34.186 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.556 91.770 34.340 1.00 0.00 H new ATOM 0 HG13 VAL A 12 132.040 92.504 34.992 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.168 89.869 36.228 1.00 0.00 H new ATOM 0 HG22 VAL A 12 133.142 91.448 37.049 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.384 90.033 37.818 1.00 0.00 H new ATOM 188 N GLU A 13 128.443 91.215 35.899 1.00 0.00 N ATOM 189 CA GLU A 13 127.295 91.481 35.056 1.00 0.00 C ATOM 190 C GLU A 13 126.555 92.664 35.623 1.00 0.00 C ATOM 191 O GLU A 13 126.418 93.682 34.992 1.00 0.00 O ATOM 192 CB GLU A 13 126.373 90.282 35.040 1.00 0.00 C ATOM 193 CG GLU A 13 125.464 90.380 33.818 1.00 0.00 C ATOM 194 CD GLU A 13 124.334 89.356 33.928 1.00 0.00 C ATOM 195 OE1 GLU A 13 124.568 88.205 33.596 1.00 0.00 O ATOM 196 OE2 GLU A 13 123.253 89.739 34.343 1.00 0.00 O1- ATOM 0 H GLU A 13 128.552 90.246 36.198 1.00 0.00 H new ATOM 0 HA GLU A 13 127.626 91.686 34.038 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.953 89.360 35.006 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.777 90.251 35.952 1.00 0.00 H new ATOM 0 HG2 GLU A 13 125.050 91.385 33.742 1.00 0.00 H new ATOM 0 HG3 GLU A 13 126.040 90.203 32.910 1.00 0.00 H new ATOM 203 N ALA A 14 126.116 92.529 36.847 1.00 0.00 N ATOM 204 CA ALA A 14 125.387 93.631 37.510 1.00 0.00 C ATOM 205 C ALA A 14 126.130 94.919 37.229 1.00 0.00 C ATOM 206 O ALA A 14 125.620 95.800 36.578 1.00 0.00 O ATOM 207 CB ALA A 14 125.371 93.381 39.027 1.00 0.00 C ATOM 0 H ALA A 14 126.237 91.690 37.415 1.00 0.00 H new ATOM 0 HA ALA A 14 124.364 93.691 37.140 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.835 94.190 39.523 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.872 92.434 39.234 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.394 93.341 39.400 1.00 0.00 H new ATOM 213 N LEU A 15 127.351 95.005 37.668 1.00 0.00 N ATOM 214 CA LEU A 15 128.152 96.221 37.391 1.00 0.00 C ATOM 215 C LEU A 15 127.994 96.580 35.919 1.00 0.00 C ATOM 216 O LEU A 15 127.709 97.705 35.578 1.00 0.00 O ATOM 217 CB LEU A 15 129.626 95.925 37.693 1.00 0.00 C ATOM 218 CG LEU A 15 129.825 95.771 39.209 1.00 0.00 C ATOM 219 CD1 LEU A 15 131.021 94.865 39.489 1.00 0.00 C ATOM 220 CD2 LEU A 15 130.066 97.147 39.853 1.00 0.00 C ATOM 0 H LEU A 15 127.829 94.283 38.208 1.00 0.00 H new ATOM 0 HA LEU A 15 127.814 97.050 38.012 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.936 95.014 37.182 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.254 96.732 37.314 1.00 0.00 H new ATOM 0 HG LEU A 15 128.926 95.326 39.635 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.155 94.761 40.566 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.845 93.883 39.049 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.919 95.302 39.052 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.206 97.026 40.927 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.957 97.600 39.420 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.206 97.791 39.669 1.00 0.00 H new ATOM 232 N TYR A 16 128.142 95.619 35.046 1.00 0.00 N ATOM 233 CA TYR A 16 127.964 95.910 33.603 1.00 0.00 C ATOM 234 C TYR A 16 126.582 96.554 33.439 1.00 0.00 C ATOM 235 O TYR A 16 126.447 97.628 32.893 1.00 0.00 O ATOM 236 CB TYR A 16 128.111 94.590 32.782 1.00 0.00 C ATOM 237 CG TYR A 16 127.021 94.380 31.734 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.423 93.128 31.577 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.646 95.421 30.906 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.448 92.928 30.592 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.672 95.235 29.927 1.00 0.00 C ATOM 242 CZ TYR A 16 125.070 93.986 29.765 1.00 0.00 C ATOM 243 OH TYR A 16 124.111 93.800 28.792 1.00 0.00 O ATOM 0 H TYR A 16 128.377 94.653 35.272 1.00 0.00 H new ATOM 0 HA TYR A 16 128.723 96.596 33.227 1.00 0.00 H new ATOM 0 HB2 TYR A 16 129.081 94.590 32.286 1.00 0.00 H new ATOM 0 HB3 TYR A 16 128.105 93.745 33.470 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.714 92.310 32.219 1.00 0.00 H new ATOM 0 HD2 TYR A 16 127.113 96.388 31.019 1.00 0.00 H new ATOM 0 HE1 TYR A 16 124.990 91.957 30.473 1.00 0.00 H new ATOM 0 HE2 TYR A 16 125.382 96.059 29.292 1.00 0.00 H new ATOM 0 HH TYR A 16 123.968 94.640 28.309 1.00 0.00 H new ATOM 253 N LEU A 17 125.562 95.899 33.899 1.00 0.00 N ATOM 254 CA LEU A 17 124.188 96.459 33.762 1.00 0.00 C ATOM 255 C LEU A 17 124.159 97.912 34.187 1.00 0.00 C ATOM 256 O LEU A 17 123.815 98.800 33.432 1.00 0.00 O ATOM 257 CB LEU A 17 123.233 95.712 34.685 1.00 0.00 C ATOM 258 CG LEU A 17 123.395 94.222 34.485 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.361 93.465 35.324 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.235 93.852 33.017 1.00 0.00 C ATOM 0 H LEU A 17 125.616 94.994 34.367 1.00 0.00 H new ATOM 0 HA LEU A 17 123.893 96.359 32.717 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.436 95.974 35.723 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.205 96.007 34.477 1.00 0.00 H new ATOM 0 HG LEU A 17 124.398 93.941 34.806 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.485 92.393 35.174 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.504 93.703 36.378 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.357 93.760 35.018 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.356 92.775 32.898 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.243 94.146 32.674 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.991 94.369 32.427 1.00 0.00 H new ATOM 272 N VAL A 18 124.467 98.140 35.421 1.00 0.00 N ATOM 273 CA VAL A 18 124.412 99.502 35.964 1.00 0.00 C ATOM 274 C VAL A 18 125.514 100.367 35.322 1.00 0.00 C ATOM 275 O VAL A 18 125.395 101.574 35.246 1.00 0.00 O ATOM 276 CB VAL A 18 124.524 99.431 37.522 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.657 97.985 38.021 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.711 100.260 38.027 1.00 0.00 C ATOM 0 H VAL A 18 124.760 97.424 36.086 1.00 0.00 H new ATOM 0 HA VAL A 18 123.461 99.978 35.722 1.00 0.00 H new ATOM 0 HB VAL A 18 123.600 99.848 37.923 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.732 97.981 39.108 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.781 97.413 37.716 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.552 97.534 37.594 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.766 100.193 39.114 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.634 99.876 37.593 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.578 101.301 37.734 1.00 0.00 H new ATOM 288 N CYS A 19 126.584 99.764 34.883 1.00 0.00 N ATOM 289 CA CYS A 19 127.702 100.555 34.268 1.00 0.00 C ATOM 290 C CYS A 19 127.602 100.537 32.742 1.00 0.00 C ATOM 291 O CYS A 19 128.433 101.098 32.055 1.00 0.00 O ATOM 292 CB CYS A 19 129.041 99.945 34.690 1.00 0.00 C ATOM 293 SG CYS A 19 129.119 99.854 36.497 1.00 0.00 S ATOM 0 H CYS A 19 126.738 98.756 34.921 1.00 0.00 H new ATOM 0 HA CYS A 19 127.631 101.587 34.612 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.151 98.950 34.260 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.864 100.550 34.310 1.00 0.00 H new ATOM 298 N GLY A 20 126.604 99.903 32.200 1.00 0.00 N ATOM 299 CA GLY A 20 126.472 99.858 30.716 1.00 0.00 C ATOM 300 C GLY A 20 127.813 99.458 30.093 1.00 0.00 C ATOM 301 O GLY A 20 128.609 98.765 30.696 1.00 0.00 O ATOM 0 H GLY A 20 125.874 99.414 32.717 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.700 99.144 30.431 1.00 0.00 H new ATOM 0 HA3 GLY A 20 126.160 100.832 30.339 1.00 0.00 H new ATOM 305 N GLU A 21 128.065 99.885 28.884 1.00 0.00 N ATOM 306 CA GLU A 21 129.348 99.530 28.210 1.00 0.00 C ATOM 307 C GLU A 21 130.450 100.496 28.646 1.00 0.00 C ATOM 308 O GLU A 21 131.621 100.258 28.431 1.00 0.00 O ATOM 309 CB GLU A 21 129.160 99.639 26.700 1.00 0.00 C ATOM 310 CG GLU A 21 130.385 99.066 25.986 1.00 0.00 C ATOM 311 CD GLU A 21 130.079 98.904 24.496 1.00 0.00 C ATOM 312 OE1 GLU A 21 130.973 99.134 23.700 1.00 0.00 O ATOM 313 OE2 GLU A 21 128.955 98.550 24.179 1.00 0.00 O1- ATOM 0 H GLU A 21 127.435 100.467 28.332 1.00 0.00 H new ATOM 0 HA GLU A 21 129.631 98.514 28.483 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.264 99.099 26.395 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.016 100.681 26.416 1.00 0.00 H new ATOM 0 HG2 GLU A 21 131.241 99.727 26.122 1.00 0.00 H new ATOM 0 HG3 GLU A 21 130.654 98.103 26.419 1.00 0.00 H new ATOM 320 N ARG A 22 130.073 101.591 29.239 1.00 0.00 N ATOM 321 CA ARG A 22 131.079 102.606 29.685 1.00 0.00 C ATOM 322 C ARG A 22 132.282 101.916 30.339 1.00 0.00 C ATOM 323 O ARG A 22 133.340 102.498 30.472 1.00 0.00 O ATOM 324 CB ARG A 22 130.434 103.558 30.699 1.00 0.00 C ATOM 325 CG ARG A 22 129.501 104.536 29.973 1.00 0.00 C ATOM 326 CD ARG A 22 128.327 103.778 29.346 1.00 0.00 C ATOM 327 NE ARG A 22 127.206 104.726 29.084 1.00 0.00 N ATOM 328 CZ ARG A 22 125.987 104.278 28.952 1.00 0.00 C ATOM 329 NH1 ARG A 22 125.005 105.109 28.726 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 125.749 102.998 29.045 1.00 0.00 N ATOM 0 H ARG A 22 129.103 101.834 29.438 1.00 0.00 H new ATOM 0 HA ARG A 22 131.419 103.165 28.813 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.873 102.989 31.440 1.00 0.00 H new ATOM 0 HB3 ARG A 22 131.206 104.109 31.237 1.00 0.00 H new ATOM 0 HG2 ARG A 22 129.129 105.283 30.674 1.00 0.00 H new ATOM 0 HG3 ARG A 22 130.053 105.071 29.200 1.00 0.00 H new ATOM 0 HD2 ARG A 22 128.641 103.304 28.416 1.00 0.00 H new ATOM 0 HD3 ARG A 22 127.996 102.982 30.013 1.00 0.00 H new ATOM 0 HE ARG A 22 127.392 105.726 29.008 1.00 0.00 H new ATOM 0 HH11 ARG A 22 125.190 106.109 28.652 1.00 0.00 H new ATOM 0 HH12 ARG A 22 124.053 104.758 28.623 1.00 0.00 H new ATOM 0 HH21 ARG A 22 126.515 102.348 29.221 1.00 0.00 H new ATOM 0 HH22 ARG A 22 124.797 102.648 28.942 1.00 0.00 H new ATOM 344 N GLY A 23 132.133 100.684 30.753 1.00 0.00 N ATOM 345 CA GLY A 23 133.273 99.967 31.401 1.00 0.00 C ATOM 346 C GLY A 23 133.156 100.107 32.916 1.00 0.00 C ATOM 347 O GLY A 23 132.821 101.157 33.429 1.00 0.00 O ATOM 0 H GLY A 23 131.272 100.143 30.671 1.00 0.00 H new ATOM 0 HA2 GLY A 23 133.264 98.914 31.119 1.00 0.00 H new ATOM 0 HA3 GLY A 23 134.221 100.381 31.057 1.00 0.00 H new ATOM 351 N PHE A 24 133.417 99.046 33.633 1.00 0.00 N ATOM 352 CA PHE A 24 133.318 99.078 35.123 1.00 0.00 C ATOM 353 C PHE A 24 134.615 98.514 35.724 1.00 0.00 C ATOM 354 O PHE A 24 135.510 98.117 35.006 1.00 0.00 O ATOM 355 CB PHE A 24 132.123 98.223 35.533 1.00 0.00 C ATOM 356 CG PHE A 24 132.204 96.898 34.828 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.907 95.873 35.419 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.585 96.693 33.590 1.00 0.00 C ATOM 359 CE1 PHE A 24 133.010 94.638 34.781 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.690 95.445 32.956 1.00 0.00 C ATOM 361 CZ PHE A 24 132.404 94.429 33.552 1.00 0.00 C ATOM 0 H PHE A 24 133.699 98.146 33.244 1.00 0.00 H new ATOM 0 HA PHE A 24 133.182 100.097 35.486 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.119 98.075 36.613 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.192 98.729 35.277 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.379 96.026 36.378 1.00 0.00 H new ATOM 0 HD2 PHE A 24 131.028 97.492 33.124 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.566 93.838 35.248 1.00 0.00 H new ATOM 0 HE2 PHE A 24 131.211 95.282 32.002 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.492 93.470 33.062 1.00 0.00 H new ATOM 371 N PHE A 25 134.737 98.496 37.035 1.00 0.00 N ATOM 372 CA PHE A 25 135.996 97.978 37.675 1.00 0.00 C ATOM 373 C PHE A 25 135.782 96.583 38.272 1.00 0.00 C ATOM 374 O PHE A 25 134.836 96.341 38.997 1.00 0.00 O ATOM 375 CB PHE A 25 136.423 98.921 38.805 1.00 0.00 C ATOM 376 CG PHE A 25 136.629 100.313 38.275 1.00 0.00 C ATOM 377 CD1 PHE A 25 135.845 101.364 38.755 1.00 0.00 C ATOM 378 CD2 PHE A 25 137.616 100.556 37.316 1.00 0.00 C ATOM 379 CE1 PHE A 25 136.044 102.652 38.279 1.00 0.00 C ATOM 380 CE2 PHE A 25 137.815 101.849 36.836 1.00 0.00 C ATOM 381 CZ PHE A 25 137.029 102.901 37.317 1.00 0.00 C ATOM 0 H PHE A 25 134.022 98.816 37.688 1.00 0.00 H new ATOM 0 HA PHE A 25 136.764 97.924 36.903 1.00 0.00 H new ATOM 0 HB2 PHE A 25 135.663 98.931 39.586 1.00 0.00 H new ATOM 0 HB3 PHE A 25 137.344 98.559 39.261 1.00 0.00 H new ATOM 0 HD1 PHE A 25 135.083 101.174 39.497 1.00 0.00 H new ATOM 0 HD2 PHE A 25 138.224 99.743 36.947 1.00 0.00 H new ATOM 0 HE1 PHE A 25 135.437 103.464 38.652 1.00 0.00 H new ATOM 0 HE2 PHE A 25 138.576 102.039 36.093 1.00 0.00 H new ATOM 0 HZ PHE A 25 137.182 103.904 36.947 1.00 0.00 H new ATOM 391 N TYR A 26 136.688 95.680 37.992 1.00 0.00 N ATOM 392 CA TYR A 26 136.601 94.296 38.550 1.00 0.00 C ATOM 393 C TYR A 26 137.855 93.528 38.119 1.00 0.00 C ATOM 394 O TYR A 26 138.934 94.081 38.047 1.00 0.00 O ATOM 395 CB TYR A 26 135.341 93.577 38.028 1.00 0.00 C ATOM 396 CG TYR A 26 134.958 92.460 38.976 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.510 92.774 40.261 1.00 0.00 C ATOM 398 CD2 TYR A 26 135.045 91.119 38.572 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.152 91.756 41.143 1.00 0.00 C ATOM 400 CE2 TYR A 26 134.685 90.099 39.460 1.00 0.00 C ATOM 401 CZ TYR A 26 134.238 90.417 40.747 1.00 0.00 C ATOM 402 OH TYR A 26 133.882 89.412 41.623 1.00 0.00 O ATOM 0 H TYR A 26 137.496 95.846 37.392 1.00 0.00 H new ATOM 0 HA TYR A 26 136.536 94.342 39.637 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.518 94.286 37.936 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.527 93.174 37.033 1.00 0.00 H new ATOM 0 HD1 TYR A 26 134.441 93.806 40.571 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.389 90.875 37.578 1.00 0.00 H new ATOM 0 HE1 TYR A 26 133.807 92.002 42.136 1.00 0.00 H new ATOM 0 HE2 TYR A 26 134.752 89.066 39.152 1.00 0.00 H new ATOM 0 HH TYR A 26 133.139 88.896 41.245 1.00 0.00 H new ATOM 412 N THR A 27 137.725 92.265 37.821 1.00 0.00 N ATOM 413 CA THR A 27 138.912 91.477 37.385 1.00 0.00 C ATOM 414 C THR A 27 138.470 90.092 36.920 1.00 0.00 C ATOM 415 O THR A 27 137.364 89.901 36.454 1.00 0.00 O ATOM 416 CB THR A 27 139.895 91.318 38.547 1.00 0.00 C ATOM 417 OG1 THR A 27 141.036 90.595 38.105 1.00 0.00 O ATOM 418 CG2 THR A 27 139.222 90.560 39.691 1.00 0.00 C ATOM 0 H THR A 27 136.849 91.745 37.860 1.00 0.00 H new ATOM 0 HA THR A 27 139.399 92.006 36.566 1.00 0.00 H new ATOM 0 HB THR A 27 140.201 92.303 38.899 1.00 0.00 H new ATOM 0 HG1 THR A 27 141.184 90.768 37.152 1.00 0.00 H new ATOM 0 HG21 THR A 27 139.925 90.449 40.517 1.00 0.00 H new ATOM 0 HG22 THR A 27 138.348 91.115 40.031 1.00 0.00 H new ATOM 0 HG23 THR A 27 138.913 89.575 39.342 1.00 0.00 H new ATOM 426 N ASP A 28 139.342 89.129 37.046 1.00 0.00 N ATOM 427 CA ASP A 28 139.027 87.733 36.623 1.00 0.00 C ATOM 428 C ASP A 28 138.960 86.851 37.880 1.00 0.00 C ATOM 429 O ASP A 28 139.411 87.240 38.939 1.00 0.00 O ATOM 430 CB ASP A 28 140.159 87.259 35.679 1.00 0.00 C ATOM 431 CG ASP A 28 139.644 87.113 34.239 1.00 0.00 C ATOM 432 OD1 ASP A 28 140.125 86.232 33.545 1.00 0.00 O ATOM 433 OD2 ASP A 28 138.780 87.886 33.859 1.00 0.00 O1- ATOM 0 H ASP A 28 140.278 89.253 37.432 1.00 0.00 H new ATOM 0 HA ASP A 28 138.072 87.674 36.101 1.00 0.00 H new ATOM 0 HB2 ASP A 28 140.983 87.973 35.705 1.00 0.00 H new ATOM 0 HB3 ASP A 28 140.553 86.304 36.027 1.00 0.00 H new ATOM 438 N PRO A 29 138.418 85.686 37.757 1.00 0.00 N ATOM 439 CA PRO A 29 138.319 84.732 38.886 1.00 0.00 C ATOM 440 C PRO A 29 139.683 84.108 39.202 1.00 0.00 C ATOM 441 O PRO A 29 140.338 84.479 40.155 1.00 0.00 O ATOM 442 CB PRO A 29 137.350 83.657 38.399 1.00 0.00 C ATOM 443 CG PRO A 29 137.197 83.834 36.922 1.00 0.00 C ATOM 444 CD PRO A 29 137.835 85.163 36.525 1.00 0.00 C ATOM 0 HA PRO A 29 137.982 85.220 39.801 1.00 0.00 H new ATOM 0 HB2 PRO A 29 137.732 82.662 38.630 1.00 0.00 H new ATOM 0 HB3 PRO A 29 136.386 83.753 38.900 1.00 0.00 H new ATOM 0 HG2 PRO A 29 137.674 83.011 36.390 1.00 0.00 H new ATOM 0 HG3 PRO A 29 136.143 83.823 36.646 1.00 0.00 H new ATOM 0 HD2 PRO A 29 138.596 85.022 35.757 1.00 0.00 H new ATOM 0 HD3 PRO A 29 137.094 85.850 36.117 1.00 0.00 H new ATOM 452 N THR A 30 140.113 83.172 38.381 1.00 0.00 N ATOM 453 CA THR A 30 141.444 82.512 38.590 1.00 0.00 C ATOM 454 C THR A 30 142.472 83.564 38.945 1.00 0.00 C ATOM 455 O THR A 30 143.453 83.290 39.603 1.00 0.00 O ATOM 456 CB THR A 30 141.872 81.826 37.297 1.00 0.00 C ATOM 457 OG1 THR A 30 143.097 82.396 36.834 1.00 0.00 O ATOM 458 CG2 THR A 30 140.773 82.035 36.260 1.00 0.00 C ATOM 0 H THR A 30 139.593 82.836 37.570 1.00 0.00 H new ATOM 0 HA THR A 30 141.366 81.780 39.394 1.00 0.00 H new ATOM 0 HB THR A 30 142.027 80.760 37.466 1.00 0.00 H new ATOM 0 HG1 THR A 30 143.371 81.953 36.004 1.00 0.00 H new ATOM 0 HG21 THR A 30 141.058 81.552 35.325 1.00 0.00 H new ATOM 0 HG22 THR A 30 139.842 81.600 36.624 1.00 0.00 H new ATOM 0 HG23 THR A 30 140.633 83.102 36.089 1.00 0.00 H new ATOM 466 N GLU A 31 142.239 84.774 38.518 1.00 0.00 N ATOM 467 CA GLU A 31 143.175 85.881 38.839 1.00 0.00 C ATOM 468 C GLU A 31 142.655 86.580 40.089 1.00 0.00 C ATOM 469 O GLU A 31 141.929 87.544 39.994 1.00 0.00 O ATOM 470 CB GLU A 31 143.194 86.906 37.702 1.00 0.00 C ATOM 471 CG GLU A 31 143.356 86.203 36.357 1.00 0.00 C ATOM 472 CD GLU A 31 144.842 86.032 36.058 1.00 0.00 C ATOM 473 OE1 GLU A 31 145.492 87.028 35.773 1.00 0.00 O ATOM 474 OE2 GLU A 31 145.309 84.909 36.123 1.00 0.00 O1- ATOM 0 H GLU A 31 141.432 85.043 37.955 1.00 0.00 H new ATOM 0 HA GLU A 31 144.178 85.481 38.984 1.00 0.00 H new ATOM 0 HB2 GLU A 31 142.270 87.484 37.709 1.00 0.00 H new ATOM 0 HB3 GLU A 31 144.012 87.611 37.852 1.00 0.00 H new ATOM 0 HG2 GLU A 31 142.863 85.231 36.379 1.00 0.00 H new ATOM 0 HG3 GLU A 31 142.879 86.785 35.569 1.00 0.00 H new ATOM 481 N GLU A 32 142.997 86.108 41.250 1.00 0.00 N ATOM 482 CA GLU A 32 142.493 86.758 42.503 1.00 0.00 C ATOM 483 C GLU A 32 143.002 88.204 42.628 1.00 0.00 C ATOM 484 O GLU A 32 144.092 88.430 43.105 1.00 0.00 O ATOM 485 CB GLU A 32 143.005 85.967 43.705 1.00 0.00 C ATOM 486 CG GLU A 32 142.212 86.364 44.948 1.00 0.00 C ATOM 487 CD GLU A 32 142.967 85.925 46.201 1.00 0.00 C ATOM 488 OE1 GLU A 32 142.471 86.178 47.285 1.00 0.00 O ATOM 489 OE2 GLU A 32 144.027 85.340 46.056 1.00 0.00 O1- ATOM 0 H GLU A 32 143.603 85.301 41.394 1.00 0.00 H new ATOM 0 HA GLU A 32 141.404 86.770 42.468 1.00 0.00 H new ATOM 0 HB2 GLU A 32 142.903 84.898 43.521 1.00 0.00 H new ATOM 0 HB3 GLU A 32 144.066 86.164 43.859 1.00 0.00 H new ATOM 0 HG2 GLU A 32 142.058 87.443 44.964 1.00 0.00 H new ATOM 0 HG3 GLU A 32 141.225 85.901 44.925 1.00 0.00 H new ATOM 496 N GLY A 33 142.236 89.198 42.240 1.00 0.00 N ATOM 497 CA GLY A 33 142.750 90.598 42.390 1.00 0.00 C ATOM 498 C GLY A 33 141.604 91.590 42.585 1.00 0.00 C ATOM 499 O GLY A 33 141.579 92.654 41.988 1.00 0.00 O ATOM 0 H GLY A 33 141.303 89.106 41.837 1.00 0.00 H new ATOM 0 HA2 GLY A 33 143.428 90.650 43.242 1.00 0.00 H new ATOM 0 HA3 GLY A 33 143.326 90.873 41.507 1.00 0.00 H new ATOM 503 N PRO A 34 140.687 91.225 43.431 1.00 0.00 N ATOM 504 CA PRO A 34 139.491 92.038 43.794 1.00 0.00 C ATOM 505 C PRO A 34 139.857 93.368 44.444 1.00 0.00 C ATOM 506 O PRO A 34 140.994 93.616 44.792 1.00 0.00 O ATOM 507 CB PRO A 34 138.749 91.160 44.810 1.00 0.00 C ATOM 508 CG PRO A 34 139.787 90.233 45.330 1.00 0.00 C ATOM 509 CD PRO A 34 140.694 89.958 44.149 1.00 0.00 C ATOM 0 HA PRO A 34 138.907 92.295 42.910 1.00 0.00 H new ATOM 0 HB2 PRO A 34 138.315 91.759 45.611 1.00 0.00 H new ATOM 0 HB3 PRO A 34 137.930 90.615 44.340 1.00 0.00 H new ATOM 0 HG2 PRO A 34 140.339 90.682 46.156 1.00 0.00 H new ATOM 0 HG3 PRO A 34 139.341 89.313 45.708 1.00 0.00 H new ATOM 0 HD2 PRO A 34 141.699 89.680 44.467 1.00 0.00 H new ATOM 0 HD3 PRO A 34 140.318 89.142 43.532 1.00 0.00 H new ATOM 517 N ARG A 35 138.885 94.215 44.612 1.00 0.00 N ATOM 518 CA ARG A 35 139.121 95.542 45.241 1.00 0.00 C ATOM 519 C ARG A 35 139.016 95.402 46.750 1.00 0.00 C ATOM 520 O ARG A 35 139.426 96.261 47.494 1.00 0.00 O ATOM 521 CB ARG A 35 138.037 96.501 44.767 1.00 0.00 C ATOM 522 CG ARG A 35 138.568 97.928 44.742 1.00 0.00 C ATOM 523 CD ARG A 35 137.385 98.884 44.839 1.00 0.00 C ATOM 524 NE ARG A 35 136.619 98.838 43.565 1.00 0.00 N ATOM 525 CZ ARG A 35 136.274 99.942 42.974 1.00 0.00 C ATOM 526 NH1 ARG A 35 135.604 99.899 41.854 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 136.596 101.090 43.502 1.00 0.00 N ATOM 0 H ARG A 35 137.919 94.041 44.335 1.00 0.00 H new ATOM 0 HA ARG A 35 140.108 95.915 44.969 1.00 0.00 H new ATOM 0 HB2 ARG A 35 137.698 96.214 43.771 1.00 0.00 H new ATOM 0 HB3 ARG A 35 137.173 96.439 45.428 1.00 0.00 H new ATOM 0 HG2 ARG A 35 139.256 98.091 45.571 1.00 0.00 H new ATOM 0 HG3 ARG A 35 139.127 98.108 43.824 1.00 0.00 H new ATOM 0 HD2 ARG A 35 136.743 98.605 45.674 1.00 0.00 H new ATOM 0 HD3 ARG A 35 137.735 99.898 45.031 1.00 0.00 H new ATOM 0 HE ARG A 35 136.365 97.939 43.155 1.00 0.00 H new ATOM 0 HH11 ARG A 35 135.352 98.999 41.445 1.00 0.00 H new ATOM 0 HH12 ARG A 35 135.332 100.765 41.389 1.00 0.00 H new ATOM 0 HH21 ARG A 35 137.118 101.120 44.378 1.00 0.00 H new ATOM 0 HH22 ARG A 35 136.326 101.958 43.039 1.00 0.00 H new ATOM 541 N ARG A 36 138.447 94.325 47.203 1.00 0.00 N ATOM 542 CA ARG A 36 138.295 94.123 48.665 1.00 0.00 C ATOM 543 C ARG A 36 137.279 95.117 49.228 1.00 0.00 C ATOM 544 O ARG A 36 137.569 95.848 50.162 1.00 0.00 O ATOM 545 CB ARG A 36 139.647 94.312 49.357 1.00 0.00 C ATOM 546 CG ARG A 36 140.008 93.021 50.118 1.00 0.00 C ATOM 547 CD ARG A 36 140.872 92.098 49.240 1.00 0.00 C ATOM 548 NE ARG A 36 140.049 91.034 48.572 1.00 0.00 N ATOM 549 CZ ARG A 36 139.490 90.085 49.275 1.00 0.00 C ATOM 550 NH1 ARG A 36 138.901 89.084 48.673 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 139.497 90.148 50.574 1.00 0.00 N ATOM 0 H ARG A 36 138.079 93.573 46.621 1.00 0.00 H new ATOM 0 HA ARG A 36 137.937 93.110 48.849 1.00 0.00 H new ATOM 0 HB2 ARG A 36 140.417 94.543 48.621 1.00 0.00 H new ATOM 0 HB3 ARG A 36 139.602 95.155 50.046 1.00 0.00 H new ATOM 0 HG2 ARG A 36 140.546 93.270 51.033 1.00 0.00 H new ATOM 0 HG3 ARG A 36 139.097 92.501 50.415 1.00 0.00 H new ATOM 0 HD2 ARG A 36 141.384 92.691 48.482 1.00 0.00 H new ATOM 0 HD3 ARG A 36 141.643 91.630 49.853 1.00 0.00 H new ATOM 0 HE ARG A 36 139.925 91.052 47.560 1.00 0.00 H new ATOM 0 HH11 ARG A 36 138.878 89.044 47.654 1.00 0.00 H new ATOM 0 HH12 ARG A 36 138.465 88.344 49.223 1.00 0.00 H new ATOM 0 HH21 ARG A 36 139.939 90.938 51.044 1.00 0.00 H new ATOM 0 HH22 ARG A 36 139.061 89.407 51.123 1.00 0.00 H new ATOM 565 N GLY A 37 136.090 95.162 48.665 1.00 0.00 N ATOM 566 CA GLY A 37 135.064 96.114 49.177 1.00 0.00 C ATOM 567 C GLY A 37 133.682 95.638 48.741 1.00 0.00 C ATOM 568 O GLY A 37 132.818 95.362 49.551 1.00 0.00 O ATOM 0 H GLY A 37 135.794 94.583 47.879 1.00 0.00 H new ATOM 0 HA2 GLY A 37 135.116 96.174 50.264 1.00 0.00 H new ATOM 0 HA3 GLY A 37 135.255 97.116 48.793 1.00 0.00 H new ATOM 572 N ILE A 38 133.475 95.542 47.462 1.00 0.00 N ATOM 573 CA ILE A 38 132.159 95.086 46.939 1.00 0.00 C ATOM 574 C ILE A 38 131.961 93.609 47.238 1.00 0.00 C ATOM 575 O ILE A 38 130.922 93.184 47.687 1.00 0.00 O ATOM 576 CB ILE A 38 132.151 95.291 45.422 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.760 95.041 44.862 1.00 0.00 C ATOM 578 CG2 ILE A 38 133.131 94.329 44.730 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.777 95.410 43.378 1.00 0.00 C ATOM 0 H ILE A 38 134.168 95.762 46.747 1.00 0.00 H new ATOM 0 HA ILE A 38 131.358 95.654 47.412 1.00 0.00 H new ATOM 0 HB ILE A 38 132.455 96.320 45.230 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.479 93.996 44.992 1.00 0.00 H new ATOM 0 HG13 ILE A 38 130.021 95.639 45.395 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.105 94.496 43.653 1.00 0.00 H new ATOM 0 HG22 ILE A 38 134.140 94.508 45.101 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.843 93.300 44.945 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.789 95.240 42.949 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.045 96.461 43.267 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.509 94.792 42.858 1.00 0.00 H new ATOM 591 N VAL A 39 132.950 92.826 46.955 1.00 0.00 N ATOM 592 CA VAL A 39 132.856 91.374 47.159 1.00 0.00 C ATOM 593 C VAL A 39 132.656 91.039 48.631 1.00 0.00 C ATOM 594 O VAL A 39 131.665 90.452 49.016 1.00 0.00 O ATOM 595 CB VAL A 39 134.179 90.799 46.665 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.321 89.348 47.103 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.249 90.918 45.134 1.00 0.00 C ATOM 0 H VAL A 39 133.843 93.145 46.580 1.00 0.00 H new ATOM 0 HA VAL A 39 132.004 90.957 46.622 1.00 0.00 H new ATOM 0 HB VAL A 39 135.004 91.363 47.100 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.270 88.951 46.743 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.293 89.292 48.191 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.501 88.761 46.689 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.195 90.507 44.780 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.423 90.364 44.688 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.179 91.967 44.847 1.00 0.00 H new ATOM 607 N GLU A 40 133.589 91.392 49.450 1.00 0.00 N ATOM 608 CA GLU A 40 133.462 91.076 50.891 1.00 0.00 C ATOM 609 C GLU A 40 132.087 91.513 51.407 1.00 0.00 C ATOM 610 O GLU A 40 131.571 90.962 52.356 1.00 0.00 O ATOM 611 CB GLU A 40 134.572 91.795 51.647 1.00 0.00 C ATOM 612 CG GLU A 40 135.893 91.626 50.886 1.00 0.00 C ATOM 613 CD GLU A 40 137.060 91.994 51.804 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.076 93.114 52.288 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.919 91.151 52.006 1.00 0.00 O1- ATOM 0 H GLU A 40 134.440 91.888 49.186 1.00 0.00 H new ATOM 0 HA GLU A 40 133.554 90.001 51.046 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.331 92.853 51.751 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.664 91.389 52.654 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.998 90.597 50.541 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.899 92.261 50.000 1.00 0.00 H new ATOM 622 N GLN A 41 131.483 92.495 50.789 1.00 0.00 N ATOM 623 CA GLN A 41 130.133 92.957 51.247 1.00 0.00 C ATOM 624 C GLN A 41 129.034 92.255 50.436 1.00 0.00 C ATOM 625 O GLN A 41 128.206 91.548 50.975 1.00 0.00 O ATOM 626 CB GLN A 41 130.020 94.469 51.045 1.00 0.00 C ATOM 627 CG GLN A 41 128.723 94.975 51.682 1.00 0.00 C ATOM 628 CD GLN A 41 128.677 96.502 51.602 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.467 97.167 52.596 1.00 0.00 O ATOM 630 NE2 GLN A 41 128.865 97.089 50.451 1.00 0.00 N ATOM 0 H GLN A 41 131.864 92.998 49.988 1.00 0.00 H new ATOM 0 HA GLN A 41 130.011 92.713 52.302 1.00 0.00 H new ATOM 0 HB2 GLN A 41 130.877 94.971 51.493 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.032 94.706 49.981 1.00 0.00 H new ATOM 0 HG2 GLN A 41 127.862 94.547 51.168 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.666 94.653 52.722 1.00 0.00 H new ATOM 0 HE21 GLN A 41 129.041 96.530 49.616 1.00 0.00 H new ATOM 0 HE22 GLN A 41 128.836 98.107 50.387 1.00 0.00 H new ATOM 639 N CYS A 42 129.016 92.459 49.146 1.00 0.00 N ATOM 640 CA CYS A 42 127.966 91.824 48.293 1.00 0.00 C ATOM 641 C CYS A 42 128.027 90.301 48.415 1.00 0.00 C ATOM 642 O CYS A 42 127.037 89.620 48.242 1.00 0.00 O ATOM 643 CB CYS A 42 128.183 92.218 46.827 1.00 0.00 C ATOM 644 SG CYS A 42 127.675 93.938 46.582 1.00 0.00 S ATOM 0 H CYS A 42 129.686 93.041 48.643 1.00 0.00 H new ATOM 0 HA CYS A 42 126.989 92.171 48.630 1.00 0.00 H new ATOM 0 HB2 CYS A 42 129.232 92.096 46.558 1.00 0.00 H new ATOM 0 HB3 CYS A 42 127.608 91.561 46.174 1.00 0.00 H new ATOM 649 N CYS A 43 129.180 89.748 48.686 1.00 0.00 N ATOM 650 CA CYS A 43 129.277 88.262 48.787 1.00 0.00 C ATOM 651 C CYS A 43 128.912 87.795 50.201 1.00 0.00 C ATOM 652 O CYS A 43 128.048 86.958 50.376 1.00 0.00 O ATOM 653 CB CYS A 43 130.699 87.811 48.437 1.00 0.00 C ATOM 654 SG CYS A 43 130.744 86.004 48.345 1.00 0.00 S ATOM 0 H CYS A 43 130.051 90.255 48.841 1.00 0.00 H new ATOM 0 HA CYS A 43 128.574 87.816 48.083 1.00 0.00 H new ATOM 0 HB2 CYS A 43 131.007 88.243 47.485 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.402 88.166 49.190 1.00 0.00 H new ATOM 659 N HIS A 44 129.554 88.314 51.211 1.00 0.00 N ATOM 660 CA HIS A 44 129.221 87.875 52.599 1.00 0.00 C ATOM 661 C HIS A 44 127.850 88.428 52.992 1.00 0.00 C ATOM 662 O HIS A 44 127.242 87.983 53.945 1.00 0.00 O ATOM 663 CB HIS A 44 130.278 88.392 53.575 1.00 0.00 C ATOM 664 CG HIS A 44 131.636 87.908 53.147 1.00 0.00 C ATOM 665 ND1 HIS A 44 132.103 88.069 51.850 1.00 0.00 N ATOM 666 CD2 HIS A 44 132.637 87.262 53.830 1.00 0.00 C ATOM 667 CE1 HIS A 44 133.336 87.529 51.793 1.00 0.00 C ATOM 668 NE2 HIS A 44 133.705 87.025 52.972 1.00 0.00 N ATOM 0 H HIS A 44 130.289 89.017 51.139 1.00 0.00 H new ATOM 0 HA HIS A 44 129.201 86.786 52.636 1.00 0.00 H new ATOM 0 HB2 HIS A 44 130.261 89.482 53.603 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.058 88.044 54.584 1.00 0.00 H new ATOM 0 HD2 HIS A 44 132.600 86.981 54.872 1.00 0.00 H new ATOM 0 HE1 HIS A 44 133.949 87.507 50.904 1.00 0.00 H new ATOM 0 HE2 HIS A 44 134.586 86.563 53.197 1.00 0.00 H new ATOM 677 N SER A 45 127.359 89.394 52.261 1.00 0.00 N ATOM 678 CA SER A 45 126.022 89.985 52.580 1.00 0.00 C ATOM 679 C SER A 45 125.273 90.257 51.274 1.00 0.00 C ATOM 680 O SER A 45 125.783 90.031 50.198 1.00 0.00 O ATOM 681 CB SER A 45 126.217 91.303 53.340 1.00 0.00 C ATOM 682 OG SER A 45 125.044 91.587 54.093 1.00 0.00 O ATOM 0 H SER A 45 127.828 89.802 51.452 1.00 0.00 H new ATOM 0 HA SER A 45 125.449 89.292 53.196 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.080 91.231 54.002 1.00 0.00 H new ATOM 0 HB3 SER A 45 126.419 92.114 52.640 1.00 0.00 H new ATOM 0 HG SER A 45 125.165 92.428 54.582 1.00 0.00 H new ATOM 688 N ILE A 46 124.073 90.755 51.362 1.00 0.00 N ATOM 689 CA ILE A 46 123.309 91.055 50.124 1.00 0.00 C ATOM 690 C ILE A 46 124.049 92.163 49.369 1.00 0.00 C ATOM 691 O ILE A 46 124.914 92.816 49.921 1.00 0.00 O ATOM 692 CB ILE A 46 121.896 91.518 50.500 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.192 90.447 51.360 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.082 91.782 49.237 1.00 0.00 C ATOM 695 CD1 ILE A 46 120.553 89.363 50.479 1.00 0.00 C ATOM 0 H ILE A 46 123.590 90.966 52.235 1.00 0.00 H new ATOM 0 HA ILE A 46 123.227 90.169 49.494 1.00 0.00 H new ATOM 0 HB ILE A 46 121.973 92.439 51.078 1.00 0.00 H new ATOM 0 HG12 ILE A 46 121.912 89.990 52.039 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.426 90.917 51.977 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.080 92.110 49.512 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.569 92.558 48.646 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.015 90.867 48.649 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.064 88.622 51.111 1.00 0.00 H new ATOM 0 HD12 ILE A 46 119.816 89.819 49.818 1.00 0.00 H new ATOM 0 HD13 ILE A 46 121.325 88.878 49.882 1.00 0.00 H new ATOM 707 N CYS A 47 123.746 92.363 48.110 1.00 0.00 N ATOM 708 CA CYS A 47 124.467 93.411 47.313 1.00 0.00 C ATOM 709 C CYS A 47 123.557 94.609 47.023 1.00 0.00 C ATOM 710 O CYS A 47 122.392 94.463 46.710 1.00 0.00 O ATOM 711 CB CYS A 47 124.913 92.795 45.984 1.00 0.00 C ATOM 712 SG CYS A 47 126.186 93.834 45.216 1.00 0.00 S ATOM 0 H CYS A 47 123.031 91.847 47.597 1.00 0.00 H new ATOM 0 HA CYS A 47 125.324 93.760 47.889 1.00 0.00 H new ATOM 0 HB2 CYS A 47 125.303 91.791 46.152 1.00 0.00 H new ATOM 0 HB3 CYS A 47 124.059 92.697 45.314 1.00 0.00 H new ATOM 717 N SER A 48 124.103 95.798 47.095 1.00 0.00 N ATOM 718 CA SER A 48 123.307 97.026 46.795 1.00 0.00 C ATOM 719 C SER A 48 123.611 97.447 45.359 1.00 0.00 C ATOM 720 O SER A 48 124.720 97.304 44.889 1.00 0.00 O ATOM 721 CB SER A 48 123.709 98.152 47.749 1.00 0.00 C ATOM 722 OG SER A 48 123.095 97.939 49.014 1.00 0.00 O ATOM 0 H SER A 48 125.075 95.970 47.351 1.00 0.00 H new ATOM 0 HA SER A 48 122.243 96.823 46.919 1.00 0.00 H new ATOM 0 HB2 SER A 48 124.793 98.181 47.859 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.404 99.116 47.341 1.00 0.00 H new ATOM 0 HG SER A 48 123.352 98.658 49.628 1.00 0.00 H new ATOM 728 N LEU A 49 122.646 97.975 44.667 1.00 0.00 N ATOM 729 CA LEU A 49 122.871 98.418 43.277 1.00 0.00 C ATOM 730 C LEU A 49 123.501 99.803 43.333 1.00 0.00 C ATOM 731 O LEU A 49 124.412 100.135 42.603 1.00 0.00 O ATOM 732 CB LEU A 49 121.498 98.420 42.568 1.00 0.00 C ATOM 733 CG LEU A 49 121.388 99.531 41.521 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.448 99.349 40.427 1.00 0.00 C ATOM 735 CD2 LEU A 49 120.000 99.465 40.898 1.00 0.00 C ATOM 0 H LEU A 49 121.698 98.119 45.015 1.00 0.00 H new ATOM 0 HA LEU A 49 123.542 97.764 42.721 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.338 97.454 42.088 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.709 98.543 43.309 1.00 0.00 H new ATOM 0 HG LEU A 49 121.550 100.498 41.998 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.353 100.148 39.692 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.442 99.383 40.874 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.303 98.386 39.937 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.900 100.249 40.148 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.859 98.492 40.427 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.246 99.606 41.673 1.00 0.00 H new ATOM 747 N GLU A 50 123.009 100.599 44.221 1.00 0.00 N ATOM 748 CA GLU A 50 123.532 101.968 44.391 1.00 0.00 C ATOM 749 C GLU A 50 125.024 101.887 44.605 1.00 0.00 C ATOM 750 O GLU A 50 125.780 102.794 44.319 1.00 0.00 O ATOM 751 CB GLU A 50 122.864 102.543 45.623 1.00 0.00 C ATOM 752 CG GLU A 50 121.356 102.591 45.385 1.00 0.00 C ATOM 753 CD GLU A 50 120.697 103.500 46.422 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.153 104.519 46.027 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.749 103.165 47.594 1.00 0.00 O1- ATOM 0 H GLU A 50 122.247 100.353 44.853 1.00 0.00 H new ATOM 0 HA GLU A 50 123.332 102.592 43.520 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.089 101.930 46.496 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.246 103.543 45.828 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.149 102.960 44.380 1.00 0.00 H new ATOM 0 HG3 GLU A 50 120.936 101.587 45.449 1.00 0.00 H new ATOM 762 N GLN A 51 125.423 100.786 45.117 1.00 0.00 N ATOM 763 CA GLN A 51 126.854 100.546 45.399 1.00 0.00 C ATOM 764 C GLN A 51 127.597 100.171 44.108 1.00 0.00 C ATOM 765 O GLN A 51 128.790 100.342 44.010 1.00 0.00 O ATOM 766 CB GLN A 51 126.949 99.406 46.417 1.00 0.00 C ATOM 767 CG GLN A 51 128.376 98.842 46.459 1.00 0.00 C ATOM 768 CD GLN A 51 128.543 97.780 45.376 1.00 0.00 C ATOM 769 OE1 GLN A 51 129.503 97.798 44.632 1.00 0.00 O ATOM 770 NE2 GLN A 51 127.634 96.854 45.255 1.00 0.00 N ATOM 0 H GLN A 51 124.806 100.012 45.363 1.00 0.00 H new ATOM 0 HA GLN A 51 127.315 101.449 45.799 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.665 99.768 47.405 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.246 98.615 46.153 1.00 0.00 H new ATOM 0 HG2 GLN A 51 129.099 99.644 46.309 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.578 98.410 47.439 1.00 0.00 H new ATOM 0 HE21 GLN A 51 126.830 96.844 45.882 1.00 0.00 H new ATOM 0 HE22 GLN A 51 127.727 96.140 44.533 1.00 0.00 H new ATOM 779 N LEU A 52 126.914 99.661 43.121 1.00 0.00 N ATOM 780 CA LEU A 52 127.604 99.287 41.855 1.00 0.00 C ATOM 781 C LEU A 52 127.710 100.525 40.966 1.00 0.00 C ATOM 782 O LEU A 52 128.549 100.619 40.095 1.00 0.00 O ATOM 783 CB LEU A 52 126.755 98.255 41.100 1.00 0.00 C ATOM 784 CG LEU A 52 126.304 97.115 41.987 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.332 96.257 41.181 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.486 96.260 42.395 1.00 0.00 C ATOM 0 H LEU A 52 125.909 99.487 43.136 1.00 0.00 H new ATOM 0 HA LEU A 52 128.589 98.882 42.088 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.881 98.749 40.676 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.331 97.856 40.266 1.00 0.00 H new ATOM 0 HG LEU A 52 125.834 97.512 42.887 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.987 95.424 41.794 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.478 96.862 40.878 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.836 95.871 40.295 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.143 95.445 43.033 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.962 95.849 41.505 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.205 96.870 42.942 1.00 0.00 H new ATOM 798 N GLU A 53 126.818 101.446 41.151 1.00 0.00 N ATOM 799 CA GLU A 53 126.792 102.653 40.306 1.00 0.00 C ATOM 800 C GLU A 53 128.017 103.535 40.563 1.00 0.00 C ATOM 801 O GLU A 53 128.379 104.353 39.740 1.00 0.00 O ATOM 802 CB GLU A 53 125.482 103.392 40.614 1.00 0.00 C ATOM 803 CG GLU A 53 124.410 103.017 39.579 1.00 0.00 C ATOM 804 CD GLU A 53 123.112 103.760 39.896 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.067 103.132 39.854 1.00 0.00 O ATOM 806 OE2 GLU A 53 123.185 104.946 40.175 1.00 0.00 O1- ATOM 0 H GLU A 53 126.093 101.410 41.867 1.00 0.00 H new ATOM 0 HA GLU A 53 126.832 102.386 39.250 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.137 103.136 41.616 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.651 104.469 40.601 1.00 0.00 H new ATOM 0 HG2 GLU A 53 124.752 103.273 38.576 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.238 101.941 39.592 1.00 0.00 H new ATOM 813 N ASN A 54 128.676 103.365 41.670 1.00 0.00 N ATOM 814 CA ASN A 54 129.892 104.190 41.932 1.00 0.00 C ATOM 815 C ASN A 54 131.094 103.463 41.333 1.00 0.00 C ATOM 816 O ASN A 54 132.192 103.976 41.280 1.00 0.00 O ATOM 817 CB ASN A 54 130.079 104.393 43.437 1.00 0.00 C ATOM 818 CG ASN A 54 130.406 103.075 44.123 1.00 0.00 C ATOM 819 OD1 ASN A 54 131.507 102.573 44.013 1.00 0.00 O ATOM 820 ND2 ASN A 54 129.491 102.496 44.846 1.00 0.00 N ATOM 0 H ASN A 54 128.432 102.698 42.402 1.00 0.00 H new ATOM 0 HA ASN A 54 129.788 105.174 41.475 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.881 105.110 43.615 1.00 0.00 H new ATOM 0 HB3 ASN A 54 129.171 104.817 43.867 1.00 0.00 H new ATOM 0 HD21 ASN A 54 129.697 101.618 45.322 1.00 0.00 H new ATOM 0 HD22 ASN A 54 128.568 102.920 44.936 1.00 0.00 H new ATOM 827 N TYR A 55 130.876 102.253 40.892 1.00 0.00 N ATOM 828 CA TYR A 55 131.982 101.447 40.300 1.00 0.00 C ATOM 829 C TYR A 55 132.120 101.795 38.817 1.00 0.00 C ATOM 830 O TYR A 55 133.176 101.673 38.228 1.00 0.00 O ATOM 831 CB TYR A 55 131.686 99.945 40.435 1.00 0.00 C ATOM 832 CG TYR A 55 131.884 99.543 41.860 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.214 100.215 42.869 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.771 98.535 42.169 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.435 99.878 44.194 1.00 0.00 C ATOM 836 CE2 TYR A 55 132.987 98.186 43.492 1.00 0.00 C ATOM 837 CZ TYR A 55 132.323 98.862 44.514 1.00 0.00 C ATOM 838 OH TYR A 55 132.549 98.530 45.834 1.00 0.00 O ATOM 0 H TYR A 55 129.970 101.785 40.917 1.00 0.00 H new ATOM 0 HA TYR A 55 132.906 101.676 40.831 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.664 99.732 40.121 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.346 99.370 39.785 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.518 101.003 42.622 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.297 98.018 41.381 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.915 100.407 44.979 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.673 97.387 43.732 1.00 0.00 H new ATOM 0 HH TYR A 55 131.743 98.119 46.211 1.00 0.00 H new ATOM 848 N CYS A 56 131.049 102.219 38.210 1.00 0.00 N ATOM 849 CA CYS A 56 131.083 102.568 36.765 1.00 0.00 C ATOM 850 C CYS A 56 131.940 103.820 36.545 1.00 0.00 C ATOM 851 O CYS A 56 131.569 104.910 36.928 1.00 0.00 O ATOM 852 CB CYS A 56 129.653 102.834 36.292 1.00 0.00 C ATOM 853 SG CYS A 56 128.527 101.683 37.123 1.00 0.00 S ATOM 0 H CYS A 56 130.141 102.340 38.659 1.00 0.00 H new ATOM 0 HA CYS A 56 131.518 101.744 36.199 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.369 103.863 36.514 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.586 102.711 35.211 1.00 0.00 H new ATOM 858 N ASN A 57 133.077 103.669 35.923 1.00 0.00 N ATOM 859 CA ASN A 57 133.961 104.846 35.665 1.00 0.00 C ATOM 860 C ASN A 57 134.323 105.529 36.988 1.00 0.00 C ATOM 861 O ASN A 57 135.470 105.430 37.386 1.00 0.00 O ATOM 862 CB ASN A 57 133.235 105.844 34.760 1.00 0.00 C ATOM 863 CG ASN A 57 132.559 105.093 33.610 1.00 0.00 C ATOM 864 OD1 ASN A 57 131.446 105.404 33.238 1.00 0.00 O ATOM 865 ND2 ASN A 57 133.192 104.112 33.027 1.00 0.00 N ATOM 866 OXT ASN A 57 133.451 106.146 37.575 1.00 0.00 O ATOM 0 H ASN A 57 133.435 102.778 35.580 1.00 0.00 H new ATOM 0 HA ASN A 57 134.873 104.505 35.176 1.00 0.00 H new ATOM 0 HB2 ASN A 57 132.492 106.397 35.334 1.00 0.00 H new ATOM 0 HB3 ASN A 57 133.942 106.574 34.366 1.00 0.00 H new ATOM 0 HD21 ASN A 57 132.752 103.606 32.258 1.00 0.00 H new ATOM 0 HD22 ASN A 57 134.127 103.851 33.340 1.00 0.00 H new TER 873 ASN A 57