USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 PHE N :NH3+ 154:sc= -0.344 (180deg=-0.405) USER MOD Single : A 3 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.57) USER MOD Single : A 4 GLN : amide:sc= -1.07! K(o=-1.1!,f=-0.019) USER MOD Single : A 5 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-3.7!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 10 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.58) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0839 USER MOD Single : A 41 GLN : amide:sc= -0.921 K(o=-0.92,f=-0.23) USER MOD Single : A 44 HIS : no HD1:sc=-0.00172 X(o=-0.0017,f=-0.076) USER MOD Single : A 45 SER OG : rot 20:sc= 0.0324 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.63) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.667 USER MOD Single : A 57 ASN : amide:sc= -0.389 K(o=-0.39,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.535 89.809 39.752 1.00 0.00 N ATOM 2 CA PHE A 1 120.275 90.938 40.378 1.00 0.00 C ATOM 3 C PHE A 1 119.434 91.588 41.494 1.00 0.00 C ATOM 4 O PHE A 1 119.749 92.665 41.962 1.00 0.00 O ATOM 5 CB PHE A 1 120.609 91.978 39.298 1.00 0.00 C ATOM 6 CG PHE A 1 119.557 93.066 39.267 1.00 0.00 C ATOM 7 CD1 PHE A 1 118.202 92.755 39.455 1.00 0.00 C ATOM 8 CD2 PHE A 1 119.945 94.395 39.048 1.00 0.00 C ATOM 9 CE1 PHE A 1 117.245 93.783 39.428 1.00 0.00 C ATOM 10 CE2 PHE A 1 118.989 95.413 39.019 1.00 0.00 C ATOM 11 CZ PHE A 1 117.645 95.106 39.210 1.00 0.00 C ATOM 0 H1 PHE A 1 119.871 89.672 38.777 1.00 0.00 H new ATOM 0 H2 PHE A 1 119.698 88.940 40.300 1.00 0.00 H new ATOM 0 H3 PHE A 1 118.518 90.025 39.740 1.00 0.00 H new ATOM 0 HA PHE A 1 121.195 90.559 40.823 1.00 0.00 H new ATOM 0 HB2 PHE A 1 121.587 92.416 39.496 1.00 0.00 H new ATOM 0 HB3 PHE A 1 120.668 91.493 38.324 1.00 0.00 H new ATOM 0 HD1 PHE A 1 117.897 91.732 39.619 1.00 0.00 H new ATOM 0 HD2 PHE A 1 120.988 94.633 38.901 1.00 0.00 H new ATOM 0 HE1 PHE A 1 116.200 93.552 39.576 1.00 0.00 H new ATOM 0 HE2 PHE A 1 119.292 96.436 38.849 1.00 0.00 H new ATOM 0 HZ PHE A 1 116.906 95.894 39.190 1.00 0.00 H new ATOM 23 N VAL A 2 118.391 90.945 41.970 1.00 0.00 N ATOM 24 CA VAL A 2 117.612 91.574 43.067 1.00 0.00 C ATOM 25 C VAL A 2 118.493 91.648 44.314 1.00 0.00 C ATOM 26 O VAL A 2 119.506 90.987 44.405 1.00 0.00 O ATOM 27 CB VAL A 2 116.367 90.738 43.363 1.00 0.00 C ATOM 28 CG1 VAL A 2 116.787 89.367 43.898 1.00 0.00 C ATOM 29 CG2 VAL A 2 115.511 91.454 44.412 1.00 0.00 C ATOM 0 H VAL A 2 118.058 90.035 41.651 1.00 0.00 H new ATOM 0 HA VAL A 2 117.301 92.576 42.773 1.00 0.00 H new ATOM 0 HB VAL A 2 115.790 90.609 42.447 1.00 0.00 H new ATOM 0 HG11 VAL A 2 115.899 88.771 44.109 1.00 0.00 H new ATOM 0 HG12 VAL A 2 117.398 88.857 43.153 1.00 0.00 H new ATOM 0 HG13 VAL A 2 117.364 89.495 44.814 1.00 0.00 H new ATOM 0 HG21 VAL A 2 114.623 90.859 44.624 1.00 0.00 H new ATOM 0 HG22 VAL A 2 116.089 91.582 45.327 1.00 0.00 H new ATOM 0 HG23 VAL A 2 115.211 92.431 44.032 1.00 0.00 H new ATOM 39 N ASN A 3 118.123 92.446 45.275 1.00 0.00 N ATOM 40 CA ASN A 3 118.953 92.552 46.509 1.00 0.00 C ATOM 41 C ASN A 3 119.278 91.148 47.030 1.00 0.00 C ATOM 42 O ASN A 3 118.476 90.525 47.698 1.00 0.00 O ATOM 43 CB ASN A 3 118.178 93.339 47.570 1.00 0.00 C ATOM 44 CG ASN A 3 117.402 94.464 46.896 1.00 0.00 C ATOM 45 OD1 ASN A 3 116.231 94.655 47.159 1.00 0.00 O ATOM 46 ND2 ASN A 3 118.009 95.224 46.032 1.00 0.00 N ATOM 0 H ASN A 3 117.285 93.028 45.261 1.00 0.00 H new ATOM 0 HA ASN A 3 119.885 93.071 46.284 1.00 0.00 H new ATOM 0 HB2 ASN A 3 117.494 92.678 48.102 1.00 0.00 H new ATOM 0 HB3 ASN A 3 118.866 93.749 48.310 1.00 0.00 H new ATOM 0 HD21 ASN A 3 117.502 95.982 45.574 1.00 0.00 H new ATOM 0 HD22 ASN A 3 118.992 95.062 45.812 1.00 0.00 H new ATOM 53 N GLN A 4 120.447 90.644 46.732 1.00 0.00 N ATOM 54 CA GLN A 4 120.814 89.280 47.214 1.00 0.00 C ATOM 55 C GLN A 4 122.336 89.119 47.208 1.00 0.00 C ATOM 56 O GLN A 4 123.074 90.081 47.138 1.00 0.00 O ATOM 57 CB GLN A 4 120.176 88.231 46.300 1.00 0.00 C ATOM 58 CG GLN A 4 120.862 88.241 44.925 1.00 0.00 C ATOM 59 CD GLN A 4 119.950 87.583 43.889 1.00 0.00 C ATOM 60 OE1 GLN A 4 120.171 87.705 42.701 1.00 0.00 O ATOM 61 NE2 GLN A 4 118.926 86.888 44.294 1.00 0.00 N ATOM 0 H GLN A 4 121.161 91.116 46.178 1.00 0.00 H new ATOM 0 HA GLN A 4 120.449 89.144 48.232 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.263 87.243 46.751 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.112 88.436 46.186 1.00 0.00 H new ATOM 0 HG2 GLN A 4 121.087 89.265 44.627 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.812 87.709 44.978 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.741 86.786 45.292 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.309 86.445 43.613 1.00 0.00 H new ATOM 70 N HIS A 5 122.812 87.902 47.289 1.00 0.00 N ATOM 71 CA HIS A 5 124.287 87.667 47.297 1.00 0.00 C ATOM 72 C HIS A 5 124.791 87.490 45.860 1.00 0.00 C ATOM 73 O HIS A 5 124.240 86.729 45.088 1.00 0.00 O ATOM 74 CB HIS A 5 124.594 86.403 48.105 1.00 0.00 C ATOM 75 CG HIS A 5 123.611 85.325 47.741 1.00 0.00 C ATOM 76 ND1 HIS A 5 123.646 84.674 46.515 1.00 0.00 N ATOM 77 CD2 HIS A 5 122.558 84.772 48.429 1.00 0.00 C ATOM 78 CE1 HIS A 5 122.643 83.775 46.504 1.00 0.00 C ATOM 79 NE2 HIS A 5 121.952 83.798 47.646 1.00 0.00 N ATOM 0 H HIS A 5 122.241 87.059 47.350 1.00 0.00 H new ATOM 0 HA HIS A 5 124.787 88.523 47.750 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.611 86.067 47.902 1.00 0.00 H new ATOM 0 HB3 HIS A 5 124.536 86.618 49.172 1.00 0.00 H new ATOM 0 HD1 HIS A 5 124.310 84.845 45.760 1.00 0.00 H new ATOM 0 HD2 HIS A 5 122.249 85.052 49.425 1.00 0.00 H new ATOM 0 HE1 HIS A 5 122.425 83.118 45.675 1.00 0.00 H new ATOM 88 N LEU A 6 125.840 88.188 45.504 1.00 0.00 N ATOM 89 CA LEU A 6 126.410 88.086 44.121 1.00 0.00 C ATOM 90 C LEU A 6 127.918 87.793 44.234 1.00 0.00 C ATOM 91 O LEU A 6 128.692 88.641 44.636 1.00 0.00 O ATOM 92 CB LEU A 6 126.169 89.434 43.390 1.00 0.00 C ATOM 93 CG LEU A 6 125.165 89.301 42.219 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.912 88.499 42.637 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.752 90.715 41.765 1.00 0.00 C ATOM 0 H LEU A 6 126.334 88.834 46.120 1.00 0.00 H new ATOM 0 HA LEU A 6 125.933 87.284 43.557 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.795 90.169 44.103 1.00 0.00 H new ATOM 0 HB3 LEU A 6 127.118 89.812 43.010 1.00 0.00 H new ATOM 0 HG LEU A 6 125.645 88.761 41.403 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.229 88.425 41.791 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.209 87.499 42.952 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.414 89.007 43.463 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.044 90.640 40.940 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.285 91.242 42.597 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.635 91.264 41.437 1.00 0.00 H new ATOM 107 N CYS A 7 128.332 86.597 43.881 1.00 0.00 N ATOM 108 CA CYS A 7 129.787 86.225 43.956 1.00 0.00 C ATOM 109 C CYS A 7 130.292 85.877 42.553 1.00 0.00 C ATOM 110 O CYS A 7 129.540 85.450 41.703 1.00 0.00 O ATOM 111 CB CYS A 7 129.953 85.005 44.866 1.00 0.00 C ATOM 112 SG CYS A 7 129.128 85.309 46.449 1.00 0.00 S ATOM 0 H CYS A 7 127.720 85.855 43.541 1.00 0.00 H new ATOM 0 HA CYS A 7 130.358 87.063 44.357 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.529 84.122 44.388 1.00 0.00 H new ATOM 0 HB3 CYS A 7 131.011 84.802 45.029 1.00 0.00 H new ATOM 117 N GLY A 8 131.559 86.060 42.300 1.00 0.00 N ATOM 118 CA GLY A 8 132.097 85.743 40.944 1.00 0.00 C ATOM 119 C GLY A 8 131.652 86.835 39.970 1.00 0.00 C ATOM 120 O GLY A 8 131.237 87.899 40.378 1.00 0.00 O ATOM 0 H GLY A 8 132.243 86.413 42.969 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.185 85.684 40.974 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.734 84.770 40.612 1.00 0.00 H new ATOM 124 N SER A 9 131.725 86.591 38.689 1.00 0.00 N ATOM 125 CA SER A 9 131.291 87.640 37.726 1.00 0.00 C ATOM 126 C SER A 9 129.783 87.857 37.862 1.00 0.00 C ATOM 127 O SER A 9 129.256 88.851 37.410 1.00 0.00 O ATOM 128 CB SER A 9 131.648 87.235 36.297 1.00 0.00 C ATOM 129 OG SER A 9 131.398 85.846 36.121 1.00 0.00 O ATOM 0 H SER A 9 132.062 85.723 38.273 1.00 0.00 H new ATOM 0 HA SER A 9 131.810 88.572 37.951 1.00 0.00 H new ATOM 0 HB2 SER A 9 131.059 87.814 35.586 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.697 87.455 36.097 1.00 0.00 H new ATOM 0 HG SER A 9 131.625 85.586 35.204 1.00 0.00 H new ATOM 135 N HIS A 10 129.071 86.963 38.517 1.00 0.00 N ATOM 136 CA HIS A 10 127.603 87.199 38.696 1.00 0.00 C ATOM 137 C HIS A 10 127.470 88.602 39.261 1.00 0.00 C ATOM 138 O HIS A 10 126.476 89.282 39.090 1.00 0.00 O ATOM 139 CB HIS A 10 127.009 86.194 39.686 1.00 0.00 C ATOM 140 CG HIS A 10 126.953 84.833 39.052 1.00 0.00 C ATOM 141 ND1 HIS A 10 127.092 84.648 37.683 1.00 0.00 N ATOM 142 CD2 HIS A 10 126.777 83.578 39.584 1.00 0.00 C ATOM 143 CE1 HIS A 10 126.998 83.327 37.441 1.00 0.00 C ATOM 144 NE2 HIS A 10 126.807 82.635 38.565 1.00 0.00 N ATOM 0 H HIS A 10 129.434 86.102 38.925 1.00 0.00 H new ATOM 0 HA HIS A 10 127.073 87.084 37.751 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.615 86.159 40.592 1.00 0.00 H new ATOM 0 HB3 HIS A 10 126.009 86.509 39.983 1.00 0.00 H new ATOM 0 HD2 HIS A 10 126.637 83.359 40.632 1.00 0.00 H new ATOM 0 HE1 HIS A 10 127.068 82.883 36.459 1.00 0.00 H new ATOM 0 HE2 HIS A 10 126.704 81.624 38.657 1.00 0.00 H new ATOM 153 N LEU A 11 128.516 89.041 39.906 1.00 0.00 N ATOM 154 CA LEU A 11 128.554 90.387 40.463 1.00 0.00 C ATOM 155 C LEU A 11 128.929 91.331 39.328 1.00 0.00 C ATOM 156 O LEU A 11 128.304 92.349 39.110 1.00 0.00 O ATOM 157 CB LEU A 11 129.625 90.408 41.540 1.00 0.00 C ATOM 158 CG LEU A 11 129.878 91.831 42.000 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.560 92.541 42.320 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.766 91.796 43.241 1.00 0.00 C ATOM 0 H LEU A 11 129.361 88.493 40.065 1.00 0.00 H new ATOM 0 HA LEU A 11 127.599 90.686 40.895 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.313 89.795 42.385 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.547 89.973 41.154 1.00 0.00 H new ATOM 0 HG LEU A 11 130.373 92.383 41.202 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.766 93.560 42.648 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.934 92.566 41.428 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.040 92.003 43.113 1.00 0.00 H new ATOM 0 HD21 LEU A 11 130.955 92.814 43.582 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.265 91.236 44.031 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.712 91.313 42.998 1.00 0.00 H new ATOM 172 N VAL A 12 129.936 90.967 38.577 1.00 0.00 N ATOM 173 CA VAL A 12 130.349 91.806 37.421 1.00 0.00 C ATOM 174 C VAL A 12 129.129 92.112 36.597 1.00 0.00 C ATOM 175 O VAL A 12 128.929 93.215 36.133 1.00 0.00 O ATOM 176 CB VAL A 12 131.299 91.024 36.501 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.362 91.719 35.120 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.688 90.957 37.125 1.00 0.00 C ATOM 0 H VAL A 12 130.489 90.122 38.718 1.00 0.00 H new ATOM 0 HA VAL A 12 130.835 92.704 37.802 1.00 0.00 H new ATOM 0 HB VAL A 12 130.928 90.007 36.372 1.00 0.00 H new ATOM 0 HG11 VAL A 12 132.035 91.166 34.465 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.365 91.743 34.679 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.730 92.738 35.242 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.356 90.401 36.467 1.00 0.00 H new ATOM 0 HG22 VAL A 12 133.073 91.967 37.264 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.629 90.455 38.091 1.00 0.00 H new ATOM 188 N GLU A 13 128.350 91.117 36.344 1.00 0.00 N ATOM 189 CA GLU A 13 127.194 91.328 35.489 1.00 0.00 C ATOM 190 C GLU A 13 126.435 92.540 35.962 1.00 0.00 C ATOM 191 O GLU A 13 126.291 93.503 35.252 1.00 0.00 O ATOM 192 CB GLU A 13 126.282 90.123 35.541 1.00 0.00 C ATOM 193 CG GLU A 13 125.382 90.134 34.307 1.00 0.00 C ATOM 194 CD GLU A 13 124.245 89.125 34.487 1.00 0.00 C ATOM 195 OE1 GLU A 13 124.537 87.982 34.797 1.00 0.00 O ATOM 196 OE2 GLU A 13 123.102 89.513 34.312 1.00 0.00 O1- ATOM 0 H GLU A 13 128.471 90.168 36.697 1.00 0.00 H new ATOM 0 HA GLU A 13 127.535 91.478 34.465 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.870 89.206 35.571 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.679 90.145 36.449 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.973 91.133 34.152 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.963 89.886 33.419 1.00 0.00 H new ATOM 203 N ALA A 14 125.982 92.495 37.182 1.00 0.00 N ATOM 204 CA ALA A 14 125.233 93.639 37.745 1.00 0.00 C ATOM 205 C ALA A 14 125.958 94.910 37.377 1.00 0.00 C ATOM 206 O ALA A 14 125.437 95.739 36.668 1.00 0.00 O ATOM 207 CB ALA A 14 125.202 93.506 39.265 1.00 0.00 C ATOM 0 H ALA A 14 126.102 91.705 37.816 1.00 0.00 H new ATOM 0 HA ALA A 14 124.216 93.658 37.354 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.652 94.344 39.692 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.711 92.572 39.539 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.221 93.506 39.651 1.00 0.00 H new ATOM 213 N LEU A 15 127.177 95.046 37.806 1.00 0.00 N ATOM 214 CA LEU A 15 127.960 96.251 37.443 1.00 0.00 C ATOM 215 C LEU A 15 127.769 96.512 35.948 1.00 0.00 C ATOM 216 O LEU A 15 127.357 97.575 35.544 1.00 0.00 O ATOM 217 CB LEU A 15 129.441 95.978 37.733 1.00 0.00 C ATOM 218 CG LEU A 15 129.671 95.948 39.252 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.851 95.031 39.594 1.00 0.00 C ATOM 220 CD2 LEU A 15 129.961 97.373 39.758 1.00 0.00 C ATOM 0 H LEU A 15 127.666 94.371 38.395 1.00 0.00 H new ATOM 0 HA LEU A 15 127.630 97.117 38.017 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.739 95.027 37.291 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.060 96.750 37.276 1.00 0.00 H new ATOM 0 HG LEU A 15 128.774 95.563 39.737 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.002 95.020 40.673 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.639 94.020 39.247 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.753 95.401 39.105 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.124 97.350 40.836 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.852 97.760 39.264 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.112 98.019 39.533 1.00 0.00 H new ATOM 232 N TYR A 16 128.026 95.522 35.129 1.00 0.00 N ATOM 233 CA TYR A 16 127.825 95.698 33.663 1.00 0.00 C ATOM 234 C TYR A 16 126.439 96.333 33.447 1.00 0.00 C ATOM 235 O TYR A 16 126.288 97.305 32.734 1.00 0.00 O ATOM 236 CB TYR A 16 127.961 94.306 32.964 1.00 0.00 C ATOM 237 CG TYR A 16 126.864 94.003 31.948 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.242 92.753 31.928 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.504 94.956 31.016 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.260 92.466 30.971 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.525 94.685 30.063 1.00 0.00 C ATOM 242 CZ TYR A 16 124.900 93.437 30.036 1.00 0.00 C ATOM 243 OH TYR A 16 123.935 93.164 29.089 1.00 0.00 O ATOM 0 H TYR A 16 128.365 94.603 35.414 1.00 0.00 H new ATOM 0 HA TYR A 16 128.575 96.357 33.225 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.928 94.257 32.463 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.958 93.528 33.727 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.519 92.003 32.654 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.987 95.922 31.026 1.00 0.00 H new ATOM 0 HE1 TYR A 16 124.783 91.497 30.957 1.00 0.00 H new ATOM 0 HE2 TYR A 16 125.249 95.442 29.344 1.00 0.00 H new ATOM 0 HH TYR A 16 123.806 93.950 28.518 1.00 0.00 H new ATOM 253 N LEU A 17 125.436 95.782 34.057 1.00 0.00 N ATOM 254 CA LEU A 17 124.061 96.330 33.884 1.00 0.00 C ATOM 255 C LEU A 17 124.003 97.801 34.254 1.00 0.00 C ATOM 256 O LEU A 17 123.650 98.653 33.462 1.00 0.00 O ATOM 257 CB LEU A 17 123.096 95.608 34.821 1.00 0.00 C ATOM 258 CG LEU A 17 123.297 94.115 34.711 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.277 93.384 35.591 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.157 93.653 33.269 1.00 0.00 C ATOM 0 H LEU A 17 125.505 94.971 34.672 1.00 0.00 H new ATOM 0 HA LEU A 17 123.790 96.192 32.837 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.262 95.932 35.849 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.068 95.865 34.568 1.00 0.00 H new ATOM 0 HG LEU A 17 124.305 93.880 35.052 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.428 92.308 35.506 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.408 93.688 36.629 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.268 93.635 35.264 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.306 92.575 33.216 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.160 93.900 32.903 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.904 94.153 32.653 1.00 0.00 H new ATOM 272 N VAL A 18 124.281 98.081 35.488 1.00 0.00 N ATOM 273 CA VAL A 18 124.180 99.459 35.987 1.00 0.00 C ATOM 274 C VAL A 18 125.243 100.371 35.353 1.00 0.00 C ATOM 275 O VAL A 18 124.956 101.484 34.959 1.00 0.00 O ATOM 276 CB VAL A 18 124.296 99.440 37.549 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.456 98.017 38.086 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.478 100.287 38.041 1.00 0.00 C ATOM 0 H VAL A 18 124.580 97.395 36.181 1.00 0.00 H new ATOM 0 HA VAL A 18 123.213 99.873 35.703 1.00 0.00 H new ATOM 0 HB VAL A 18 123.366 99.866 37.927 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.533 98.045 39.173 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.590 97.420 37.799 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.359 97.570 37.669 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.525 100.249 39.129 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.405 99.895 37.624 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.344 101.320 37.720 1.00 0.00 H new ATOM 288 N CYS A 19 126.469 99.953 35.329 1.00 0.00 N ATOM 289 CA CYS A 19 127.536 100.851 34.815 1.00 0.00 C ATOM 290 C CYS A 19 127.503 101.000 33.287 1.00 0.00 C ATOM 291 O CYS A 19 127.898 102.013 32.769 1.00 0.00 O ATOM 292 CB CYS A 19 128.887 100.293 35.272 1.00 0.00 C ATOM 293 SG CYS A 19 129.175 100.733 37.010 1.00 0.00 S ATOM 0 H CYS A 19 126.782 99.033 35.641 1.00 0.00 H new ATOM 0 HA CYS A 19 127.372 101.851 35.217 1.00 0.00 H new ATOM 0 HB2 CYS A 19 128.903 99.210 35.154 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.686 100.693 34.648 1.00 0.00 H new ATOM 298 N GLY A 20 127.007 100.057 32.548 1.00 0.00 N ATOM 299 CA GLY A 20 126.966 100.257 31.062 1.00 0.00 C ATOM 300 C GLY A 20 128.298 99.849 30.410 1.00 0.00 C ATOM 301 O GLY A 20 129.071 99.091 30.962 1.00 0.00 O ATOM 0 H GLY A 20 126.633 99.171 32.889 1.00 0.00 H new ATOM 0 HA2 GLY A 20 126.154 99.669 30.635 1.00 0.00 H new ATOM 0 HA3 GLY A 20 126.754 101.303 30.839 1.00 0.00 H new ATOM 305 N GLU A 21 128.532 100.318 29.207 1.00 0.00 N ATOM 306 CA GLU A 21 129.772 99.942 28.453 1.00 0.00 C ATOM 307 C GLU A 21 130.995 100.839 28.753 1.00 0.00 C ATOM 308 O GLU A 21 132.096 100.498 28.371 1.00 0.00 O ATOM 309 CB GLU A 21 129.466 100.012 26.954 1.00 0.00 C ATOM 310 CG GLU A 21 128.048 99.495 26.705 1.00 0.00 C ATOM 311 CD GLU A 21 127.812 99.348 25.201 1.00 0.00 C ATOM 312 OE1 GLU A 21 127.895 100.349 24.508 1.00 0.00 O ATOM 313 OE2 GLU A 21 127.552 98.237 24.767 1.00 0.00 O1- ATOM 0 H GLU A 21 127.909 100.953 28.709 1.00 0.00 H new ATOM 0 HA GLU A 21 130.042 98.937 28.776 1.00 0.00 H new ATOM 0 HB2 GLU A 21 129.559 101.038 26.599 1.00 0.00 H new ATOM 0 HB3 GLU A 21 130.187 99.415 26.395 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.908 98.534 27.201 1.00 0.00 H new ATOM 0 HG3 GLU A 21 127.319 100.183 27.132 1.00 0.00 H new ATOM 320 N ARG A 22 130.856 101.978 29.393 1.00 0.00 N ATOM 321 CA ARG A 22 132.087 102.813 29.621 1.00 0.00 C ATOM 322 C ARG A 22 133.175 101.994 30.330 1.00 0.00 C ATOM 323 O ARG A 22 134.251 102.490 30.601 1.00 0.00 O ATOM 324 CB ARG A 22 131.786 104.100 30.418 1.00 0.00 C ATOM 325 CG ARG A 22 131.443 103.813 31.865 1.00 0.00 C ATOM 326 CD ARG A 22 130.108 103.096 31.952 1.00 0.00 C ATOM 327 NE ARG A 22 130.275 101.638 31.680 1.00 0.00 N ATOM 328 CZ ARG A 22 131.000 100.887 32.462 1.00 0.00 C ATOM 329 NH1 ARG A 22 131.145 99.620 32.188 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 131.574 101.391 33.517 1.00 0.00 N ATOM 0 H ARG A 22 129.981 102.357 29.756 1.00 0.00 H new ATOM 0 HA ARG A 22 132.449 103.115 28.638 1.00 0.00 H new ATOM 0 HB2 ARG A 22 132.652 104.761 30.376 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.957 104.630 29.949 1.00 0.00 H new ATOM 0 HG2 ARG A 22 132.223 103.201 32.317 1.00 0.00 H new ATOM 0 HG3 ARG A 22 131.402 104.745 32.429 1.00 0.00 H new ATOM 0 HD2 ARG A 22 129.676 103.239 32.943 1.00 0.00 H new ATOM 0 HD3 ARG A 22 129.410 103.528 31.235 1.00 0.00 H new ATOM 0 HE ARG A 22 129.815 101.222 30.870 1.00 0.00 H new ATOM 0 HH11 ARG A 22 130.693 99.221 31.366 1.00 0.00 H new ATOM 0 HH12 ARG A 22 131.711 99.028 32.796 1.00 0.00 H new ATOM 0 HH21 ARG A 22 131.458 102.380 33.737 1.00 0.00 H new ATOM 0 HH22 ARG A 22 132.139 100.796 34.123 1.00 0.00 H new ATOM 344 N GLY A 23 132.915 100.749 30.628 1.00 0.00 N ATOM 345 CA GLY A 23 133.945 99.910 31.313 1.00 0.00 C ATOM 346 C GLY A 23 133.805 100.067 32.827 1.00 0.00 C ATOM 347 O GLY A 23 134.043 101.124 33.377 1.00 0.00 O ATOM 0 H GLY A 23 132.034 100.275 30.427 1.00 0.00 H new ATOM 0 HA2 GLY A 23 133.823 98.864 31.032 1.00 0.00 H new ATOM 0 HA3 GLY A 23 134.944 100.211 30.996 1.00 0.00 H new ATOM 351 N PHE A 24 133.422 99.017 33.504 1.00 0.00 N ATOM 352 CA PHE A 24 133.260 99.085 34.986 1.00 0.00 C ATOM 353 C PHE A 24 134.511 98.514 35.655 1.00 0.00 C ATOM 354 O PHE A 24 135.104 97.562 35.185 1.00 0.00 O ATOM 355 CB PHE A 24 132.024 98.280 35.387 1.00 0.00 C ATOM 356 CG PHE A 24 132.084 96.918 34.753 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.814 95.926 35.374 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.415 96.649 33.554 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.889 94.654 34.803 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.493 95.368 32.986 1.00 0.00 C ATOM 361 CZ PHE A 24 132.231 94.380 33.610 1.00 0.00 C ATOM 0 H PHE A 24 133.213 98.108 33.091 1.00 0.00 H new ATOM 0 HA PHE A 24 133.131 100.119 35.307 1.00 0.00 H new ATOM 0 HB2 PHE A 24 131.975 98.186 36.472 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.120 98.800 35.071 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.327 96.133 36.301 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.841 97.424 33.068 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.461 93.879 35.291 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.977 95.154 32.062 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.296 93.396 33.171 1.00 0.00 H new ATOM 371 N PHE A 25 134.927 99.109 36.737 1.00 0.00 N ATOM 372 CA PHE A 25 136.158 98.634 37.438 1.00 0.00 C ATOM 373 C PHE A 25 135.879 97.311 38.170 1.00 0.00 C ATOM 374 O PHE A 25 134.968 97.208 38.968 1.00 0.00 O ATOM 375 CB PHE A 25 136.605 99.728 38.446 1.00 0.00 C ATOM 376 CG PHE A 25 137.993 100.225 38.124 1.00 0.00 C ATOM 377 CD1 PHE A 25 138.195 101.562 37.770 1.00 0.00 C ATOM 378 CD2 PHE A 25 139.077 99.347 38.194 1.00 0.00 C ATOM 379 CE1 PHE A 25 139.476 102.020 37.486 1.00 0.00 C ATOM 380 CE2 PHE A 25 140.364 99.805 37.907 1.00 0.00 C ATOM 381 CZ PHE A 25 140.567 101.144 37.552 1.00 0.00 C ATOM 0 H PHE A 25 134.466 99.909 37.171 1.00 0.00 H new ATOM 0 HA PHE A 25 136.952 98.455 36.713 1.00 0.00 H new ATOM 0 HB2 PHE A 25 135.902 100.560 38.420 1.00 0.00 H new ATOM 0 HB3 PHE A 25 136.585 99.325 39.458 1.00 0.00 H new ATOM 0 HD1 PHE A 25 137.355 102.239 37.717 1.00 0.00 H new ATOM 0 HD2 PHE A 25 138.920 98.315 38.470 1.00 0.00 H new ATOM 0 HE1 PHE A 25 139.631 103.054 37.214 1.00 0.00 H new ATOM 0 HE2 PHE A 25 141.203 99.127 37.959 1.00 0.00 H new ATOM 0 HZ PHE A 25 141.562 101.500 37.330 1.00 0.00 H new ATOM 391 N TYR A 26 136.681 96.313 37.915 1.00 0.00 N ATOM 392 CA TYR A 26 136.502 95.000 38.601 1.00 0.00 C ATOM 393 C TYR A 26 137.672 94.083 38.243 1.00 0.00 C ATOM 394 O TYR A 26 137.989 93.156 38.962 1.00 0.00 O ATOM 395 CB TYR A 26 135.190 94.338 38.170 1.00 0.00 C ATOM 396 CG TYR A 26 134.924 93.159 39.073 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.416 93.374 40.358 1.00 0.00 C ATOM 398 CD2 TYR A 26 135.192 91.857 38.633 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.173 92.288 41.203 1.00 0.00 C ATOM 400 CE2 TYR A 26 134.948 90.769 39.480 1.00 0.00 C ATOM 401 CZ TYR A 26 134.438 90.984 40.764 1.00 0.00 C ATOM 402 OH TYR A 26 134.199 89.913 41.601 1.00 0.00 O ATOM 0 H TYR A 26 137.459 96.351 37.256 1.00 0.00 H new ATOM 0 HA TYR A 26 136.471 95.168 39.678 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.369 95.052 38.229 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.254 94.012 37.132 1.00 0.00 H new ATOM 0 HD1 TYR A 26 134.212 94.379 40.697 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.587 91.692 37.641 1.00 0.00 H new ATOM 0 HE1 TYR A 26 133.781 92.454 42.195 1.00 0.00 H new ATOM 0 HE2 TYR A 26 135.154 89.764 39.142 1.00 0.00 H new ATOM 0 HH TYR A 26 134.435 89.080 41.142 1.00 0.00 H new ATOM 412 N THR A 27 138.326 94.339 37.142 1.00 0.00 N ATOM 413 CA THR A 27 139.478 93.488 36.748 1.00 0.00 C ATOM 414 C THR A 27 139.076 92.010 36.830 1.00 0.00 C ATOM 415 O THR A 27 137.940 91.678 37.105 1.00 0.00 O ATOM 416 CB THR A 27 140.644 93.772 37.703 1.00 0.00 C ATOM 417 OG1 THR A 27 140.928 95.165 37.684 1.00 0.00 O ATOM 418 CG2 THR A 27 141.897 92.992 37.281 1.00 0.00 C ATOM 0 H THR A 27 138.110 95.102 36.500 1.00 0.00 H new ATOM 0 HA THR A 27 139.780 93.711 35.725 1.00 0.00 H new ATOM 0 HB THR A 27 140.362 93.456 38.707 1.00 0.00 H new ATOM 0 HG1 THR A 27 141.671 95.356 38.293 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.711 93.209 37.973 1.00 0.00 H new ATOM 0 HG22 THR A 27 141.683 91.923 37.297 1.00 0.00 H new ATOM 0 HG23 THR A 27 142.188 93.289 36.273 1.00 0.00 H new ATOM 426 N ASP A 28 140.002 91.124 36.589 1.00 0.00 N ATOM 427 CA ASP A 28 139.692 89.669 36.645 1.00 0.00 C ATOM 428 C ASP A 28 138.980 89.360 37.977 1.00 0.00 C ATOM 429 O ASP A 28 138.779 90.241 38.789 1.00 0.00 O ATOM 430 CB ASP A 28 141.028 88.893 36.536 1.00 0.00 C ATOM 431 CG ASP A 28 140.954 87.839 35.419 1.00 0.00 C ATOM 432 OD1 ASP A 28 140.415 88.152 34.370 1.00 0.00 O ATOM 433 OD2 ASP A 28 141.439 86.742 35.636 1.00 0.00 O1- ATOM 0 H ASP A 28 140.969 91.348 36.354 1.00 0.00 H new ATOM 0 HA ASP A 28 139.034 89.371 35.828 1.00 0.00 H new ATOM 0 HB2 ASP A 28 141.843 89.588 36.334 1.00 0.00 H new ATOM 0 HB3 ASP A 28 141.251 88.408 37.486 1.00 0.00 H new ATOM 438 N PRO A 29 138.792 88.094 38.241 1.00 0.00 N ATOM 439 CA PRO A 29 138.250 87.607 39.523 1.00 0.00 C ATOM 440 C PRO A 29 139.414 87.299 40.469 1.00 0.00 C ATOM 441 O PRO A 29 139.345 87.508 41.661 1.00 0.00 O ATOM 442 CB PRO A 29 137.529 86.331 39.117 1.00 0.00 C ATOM 443 CG PRO A 29 138.345 85.778 37.984 1.00 0.00 C ATOM 444 CD PRO A 29 139.093 86.958 37.342 1.00 0.00 C ATOM 0 HA PRO A 29 137.600 88.313 40.039 1.00 0.00 H new ATOM 0 HB2 PRO A 29 137.474 85.626 39.946 1.00 0.00 H new ATOM 0 HB3 PRO A 29 136.505 86.537 38.805 1.00 0.00 H new ATOM 0 HG2 PRO A 29 139.048 85.029 38.347 1.00 0.00 H new ATOM 0 HG3 PRO A 29 137.704 85.286 37.253 1.00 0.00 H new ATOM 0 HD2 PRO A 29 140.165 86.768 37.282 1.00 0.00 H new ATOM 0 HD3 PRO A 29 138.745 87.148 36.326 1.00 0.00 H new ATOM 452 N THR A 30 140.495 86.828 39.905 1.00 0.00 N ATOM 453 CA THR A 30 141.722 86.508 40.694 1.00 0.00 C ATOM 454 C THR A 30 142.319 87.800 41.259 1.00 0.00 C ATOM 455 O THR A 30 141.965 88.278 42.320 1.00 0.00 O ATOM 456 CB THR A 30 142.738 85.901 39.730 1.00 0.00 C ATOM 457 OG1 THR A 30 143.980 85.707 40.393 1.00 0.00 O ATOM 458 CG2 THR A 30 142.929 86.867 38.555 1.00 0.00 C ATOM 0 H THR A 30 140.581 86.647 38.905 1.00 0.00 H new ATOM 0 HA THR A 30 141.481 85.827 41.510 1.00 0.00 H new ATOM 0 HB THR A 30 142.378 84.937 39.371 1.00 0.00 H new ATOM 0 HG1 THR A 30 144.626 85.316 39.769 1.00 0.00 H new ATOM 0 HG21 THR A 30 143.653 86.450 37.855 1.00 0.00 H new ATOM 0 HG22 THR A 30 141.976 87.015 38.047 1.00 0.00 H new ATOM 0 HG23 THR A 30 143.294 87.824 38.927 1.00 0.00 H new ATOM 466 N GLU A 31 143.230 88.385 40.550 1.00 0.00 N ATOM 467 CA GLU A 31 143.806 89.638 41.055 1.00 0.00 C ATOM 468 C GLU A 31 144.407 89.371 42.434 1.00 0.00 C ATOM 469 O GLU A 31 144.877 90.258 43.111 1.00 0.00 O ATOM 470 CB GLU A 31 142.667 90.652 41.144 1.00 0.00 C ATOM 471 CG GLU A 31 143.208 91.994 41.585 1.00 0.00 C ATOM 472 CD GLU A 31 143.958 92.630 40.422 1.00 0.00 C ATOM 473 OE1 GLU A 31 145.181 92.706 40.483 1.00 0.00 O ATOM 474 OE2 GLU A 31 143.295 93.027 39.483 1.00 0.00 O1- ATOM 0 H GLU A 31 143.594 88.053 39.657 1.00 0.00 H new ATOM 0 HA GLU A 31 144.591 90.022 40.404 1.00 0.00 H new ATOM 0 HB2 GLU A 31 142.177 90.748 40.175 1.00 0.00 H new ATOM 0 HB3 GLU A 31 141.913 90.304 41.850 1.00 0.00 H new ATOM 0 HG2 GLU A 31 142.393 92.642 41.907 1.00 0.00 H new ATOM 0 HG3 GLU A 31 143.873 91.870 42.440 1.00 0.00 H new ATOM 481 N GLU A 32 144.407 88.136 42.846 1.00 0.00 N ATOM 482 CA GLU A 32 144.976 87.799 44.170 1.00 0.00 C ATOM 483 C GLU A 32 144.511 88.845 45.184 1.00 0.00 C ATOM 484 O GLU A 32 145.241 89.195 46.076 1.00 0.00 O ATOM 485 CB GLU A 32 146.519 87.777 44.111 1.00 0.00 C ATOM 486 CG GLU A 32 147.027 88.774 43.062 1.00 0.00 C ATOM 487 CD GLU A 32 148.485 88.465 42.705 1.00 0.00 C ATOM 488 OE1 GLU A 32 148.767 88.322 41.524 1.00 0.00 O ATOM 489 OE2 GLU A 32 149.295 88.374 43.612 1.00 0.00 O1- ATOM 0 H GLU A 32 144.036 87.346 42.319 1.00 0.00 H new ATOM 0 HA GLU A 32 144.633 86.808 44.468 1.00 0.00 H new ATOM 0 HB2 GLU A 32 146.930 88.027 45.089 1.00 0.00 H new ATOM 0 HB3 GLU A 32 146.866 86.773 43.866 1.00 0.00 H new ATOM 0 HG2 GLU A 32 146.406 88.721 42.168 1.00 0.00 H new ATOM 0 HG3 GLU A 32 146.946 89.791 43.446 1.00 0.00 H new ATOM 496 N GLY A 33 143.295 89.336 45.058 1.00 0.00 N ATOM 497 CA GLY A 33 142.777 90.350 46.042 1.00 0.00 C ATOM 498 C GLY A 33 142.667 91.733 45.387 1.00 0.00 C ATOM 499 O GLY A 33 143.657 92.450 45.278 1.00 0.00 O ATOM 0 H GLY A 33 142.641 89.079 44.319 1.00 0.00 H new ATOM 0 HA2 GLY A 33 141.800 90.039 46.413 1.00 0.00 H new ATOM 0 HA3 GLY A 33 143.443 90.402 46.903 1.00 0.00 H new ATOM 503 N PRO A 34 141.462 92.100 44.960 1.00 0.00 N ATOM 504 CA PRO A 34 141.183 93.402 44.296 1.00 0.00 C ATOM 505 C PRO A 34 140.869 94.510 45.296 1.00 0.00 C ATOM 506 O PRO A 34 141.673 94.904 46.136 1.00 0.00 O ATOM 507 CB PRO A 34 139.925 93.086 43.478 1.00 0.00 C ATOM 508 CG PRO A 34 139.145 92.171 44.355 1.00 0.00 C ATOM 509 CD PRO A 34 140.205 91.302 45.067 1.00 0.00 C ATOM 0 HA PRO A 34 142.035 93.762 43.719 1.00 0.00 H new ATOM 0 HB2 PRO A 34 139.363 93.990 43.245 1.00 0.00 H new ATOM 0 HB3 PRO A 34 140.175 92.612 42.529 1.00 0.00 H new ATOM 0 HG2 PRO A 34 138.545 92.729 45.073 1.00 0.00 H new ATOM 0 HG3 PRO A 34 138.457 91.557 43.773 1.00 0.00 H new ATOM 0 HD2 PRO A 34 139.937 91.119 46.107 1.00 0.00 H new ATOM 0 HD3 PRO A 34 140.309 90.328 44.588 1.00 0.00 H new ATOM 517 N ARG A 35 139.685 95.004 45.195 1.00 0.00 N ATOM 518 CA ARG A 35 139.248 96.078 46.090 1.00 0.00 C ATOM 519 C ARG A 35 138.791 95.473 47.415 1.00 0.00 C ATOM 520 O ARG A 35 138.638 96.177 48.382 1.00 0.00 O ATOM 521 CB ARG A 35 138.108 96.866 45.405 1.00 0.00 C ATOM 522 CG ARG A 35 136.747 96.473 45.982 1.00 0.00 C ATOM 523 CD ARG A 35 135.625 96.881 45.002 1.00 0.00 C ATOM 524 NE ARG A 35 135.667 98.357 44.716 1.00 0.00 N ATOM 525 CZ ARG A 35 136.039 98.809 43.532 1.00 0.00 C ATOM 526 NH1 ARG A 35 136.061 100.101 43.308 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 136.382 97.977 42.577 1.00 0.00 N ATOM 0 H ARG A 35 138.988 94.701 44.515 1.00 0.00 H new ATOM 0 HA ARG A 35 140.068 96.766 46.297 1.00 0.00 H new ATOM 0 HB2 ARG A 35 138.269 97.936 45.539 1.00 0.00 H new ATOM 0 HB3 ARG A 35 138.122 96.674 44.332 1.00 0.00 H new ATOM 0 HG2 ARG A 35 136.714 95.398 46.160 1.00 0.00 H new ATOM 0 HG3 ARG A 35 136.596 96.960 46.945 1.00 0.00 H new ATOM 0 HD2 ARG A 35 135.730 96.324 44.071 1.00 0.00 H new ATOM 0 HD3 ARG A 35 134.655 96.616 45.424 1.00 0.00 H new ATOM 0 HE ARG A 35 135.404 99.018 45.447 1.00 0.00 H new ATOM 0 HH11 ARG A 35 135.792 100.751 44.046 1.00 0.00 H new ATOM 0 HH12 ARG A 35 136.347 100.456 42.396 1.00 0.00 H new ATOM 0 HH21 ARG A 35 136.363 96.971 42.746 1.00 0.00 H new ATOM 0 HH22 ARG A 35 136.668 98.336 41.666 1.00 0.00 H new ATOM 541 N ARG A 36 138.579 94.176 47.485 1.00 0.00 N ATOM 542 CA ARG A 36 138.128 93.588 48.786 1.00 0.00 C ATOM 543 C ARG A 36 137.230 94.615 49.448 1.00 0.00 C ATOM 544 O ARG A 36 137.602 95.306 50.378 1.00 0.00 O ATOM 545 CB ARG A 36 139.321 93.293 49.681 1.00 0.00 C ATOM 546 CG ARG A 36 139.860 91.893 49.363 1.00 0.00 C ATOM 547 CD ARG A 36 139.432 90.905 50.459 1.00 0.00 C ATOM 548 NE ARG A 36 140.648 90.305 51.099 1.00 0.00 N ATOM 549 CZ ARG A 36 141.424 91.076 51.811 1.00 0.00 C ATOM 550 NH1 ARG A 36 142.526 90.616 52.361 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 141.099 92.326 51.946 1.00 0.00 N ATOM 0 H ARG A 36 138.696 93.515 46.717 1.00 0.00 H new ATOM 0 HA ARG A 36 137.599 92.650 48.619 1.00 0.00 H new ATOM 0 HB2 ARG A 36 140.100 94.039 49.525 1.00 0.00 H new ATOM 0 HB3 ARG A 36 139.027 93.353 50.729 1.00 0.00 H new ATOM 0 HG2 ARG A 36 139.484 91.561 48.395 1.00 0.00 H new ATOM 0 HG3 ARG A 36 140.947 91.920 49.291 1.00 0.00 H new ATOM 0 HD2 ARG A 36 138.829 91.417 51.209 1.00 0.00 H new ATOM 0 HD3 ARG A 36 138.809 90.120 50.031 1.00 0.00 H new ATOM 0 HE ARG A 36 140.864 89.315 50.980 1.00 0.00 H new ATOM 0 HH11 ARG A 36 142.789 89.639 52.235 1.00 0.00 H new ATOM 0 HH12 ARG A 36 143.118 91.236 52.914 1.00 0.00 H new ATOM 0 HH21 ARG A 36 140.254 92.684 51.501 1.00 0.00 H new ATOM 0 HH22 ARG A 36 141.689 92.950 52.497 1.00 0.00 H new ATOM 565 N GLY A 37 136.097 94.764 48.855 1.00 0.00 N ATOM 566 CA GLY A 37 135.092 95.793 49.252 1.00 0.00 C ATOM 567 C GLY A 37 133.712 95.348 48.779 1.00 0.00 C ATOM 568 O GLY A 37 132.943 94.759 49.514 1.00 0.00 O ATOM 0 H GLY A 37 135.801 94.188 48.067 1.00 0.00 H new ATOM 0 HA2 GLY A 37 135.095 95.924 50.334 1.00 0.00 H new ATOM 0 HA3 GLY A 37 135.347 96.758 48.813 1.00 0.00 H new ATOM 572 N ILE A 38 133.403 95.626 47.550 1.00 0.00 N ATOM 573 CA ILE A 38 132.086 95.233 46.984 1.00 0.00 C ATOM 574 C ILE A 38 131.869 93.731 47.151 1.00 0.00 C ATOM 575 O ILE A 38 130.792 93.270 47.458 1.00 0.00 O ATOM 576 CB ILE A 38 132.103 95.565 45.493 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.695 95.428 44.915 1.00 0.00 C ATOM 578 CG2 ILE A 38 133.067 94.616 44.754 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.742 95.612 43.393 1.00 0.00 C ATOM 0 H ILE A 38 134.017 96.118 46.900 1.00 0.00 H new ATOM 0 HA ILE A 38 131.286 95.765 47.499 1.00 0.00 H new ATOM 0 HB ILE A 38 132.445 96.592 45.361 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.284 94.449 45.160 1.00 0.00 H new ATOM 0 HG13 ILE A 38 130.034 96.171 45.361 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.074 94.859 43.691 1.00 0.00 H new ATOM 0 HG22 ILE A 38 134.072 94.731 45.159 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.738 93.586 44.888 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.737 95.514 42.983 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.135 96.601 43.158 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.388 94.852 42.954 1.00 0.00 H new ATOM 591 N VAL A 39 132.892 92.978 46.899 1.00 0.00 N ATOM 592 CA VAL A 39 132.808 91.509 46.967 1.00 0.00 C ATOM 593 C VAL A 39 132.505 91.035 48.389 1.00 0.00 C ATOM 594 O VAL A 39 131.511 90.386 48.637 1.00 0.00 O ATOM 595 CB VAL A 39 134.170 90.998 46.515 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.319 89.518 46.838 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.327 91.236 45.009 1.00 0.00 C ATOM 0 H VAL A 39 133.812 93.335 46.640 1.00 0.00 H new ATOM 0 HA VAL A 39 132.001 91.132 46.338 1.00 0.00 H new ATOM 0 HB VAL A 39 134.951 91.540 47.048 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.298 89.170 46.508 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.225 89.369 47.914 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.541 88.953 46.324 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.301 90.871 44.683 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.542 90.703 44.473 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.250 92.303 44.799 1.00 0.00 H new ATOM 607 N GLU A 40 133.358 91.336 49.315 1.00 0.00 N ATOM 608 CA GLU A 40 133.118 90.878 50.707 1.00 0.00 C ATOM 609 C GLU A 40 131.784 91.435 51.216 1.00 0.00 C ATOM 610 O GLU A 40 131.211 90.927 52.156 1.00 0.00 O ATOM 611 CB GLU A 40 134.260 91.363 51.592 1.00 0.00 C ATOM 612 CG GLU A 40 135.594 91.002 50.937 1.00 0.00 C ATOM 613 CD GLU A 40 136.735 91.274 51.916 1.00 0.00 C ATOM 614 OE1 GLU A 40 136.760 92.356 52.481 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.565 90.397 52.088 1.00 0.00 O1- ATOM 0 H GLU A 40 134.210 91.878 49.173 1.00 0.00 H new ATOM 0 HA GLU A 40 133.073 89.789 50.734 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.192 92.441 51.735 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.190 90.905 52.579 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.595 89.952 50.644 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.734 91.586 50.028 1.00 0.00 H new ATOM 622 N GLN A 41 131.285 92.477 50.606 1.00 0.00 N ATOM 623 CA GLN A 41 129.984 93.064 51.054 1.00 0.00 C ATOM 624 C GLN A 41 128.833 92.484 50.224 1.00 0.00 C ATOM 625 O GLN A 41 127.744 92.275 50.717 1.00 0.00 O ATOM 626 CB GLN A 41 130.025 94.582 50.869 1.00 0.00 C ATOM 627 CG GLN A 41 128.866 95.221 51.632 1.00 0.00 C ATOM 628 CD GLN A 41 129.152 95.164 53.133 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.276 94.856 53.919 1.00 0.00 O ATOM 630 NE2 GLN A 41 130.348 95.448 53.568 1.00 0.00 N ATOM 0 H GLN A 41 131.722 92.950 49.815 1.00 0.00 H new ATOM 0 HA GLN A 41 129.825 92.822 52.105 1.00 0.00 H new ATOM 0 HB2 GLN A 41 130.974 94.977 51.231 1.00 0.00 H new ATOM 0 HB3 GLN A 41 129.959 94.832 49.810 1.00 0.00 H new ATOM 0 HG2 GLN A 41 128.734 96.255 51.315 1.00 0.00 H new ATOM 0 HG3 GLN A 41 127.936 94.698 51.408 1.00 0.00 H new ATOM 0 HE21 GLN A 41 131.082 95.706 52.909 1.00 0.00 H new ATOM 0 HE22 GLN A 41 130.549 95.412 54.567 1.00 0.00 H new ATOM 639 N CYS A 42 129.062 92.243 48.962 1.00 0.00 N ATOM 640 CA CYS A 42 127.980 91.699 48.084 1.00 0.00 C ATOM 641 C CYS A 42 127.972 90.170 48.127 1.00 0.00 C ATOM 642 O CYS A 42 126.930 89.545 48.097 1.00 0.00 O ATOM 643 CB CYS A 42 128.226 92.161 46.645 1.00 0.00 C ATOM 644 SG CYS A 42 127.964 93.949 46.540 1.00 0.00 S ATOM 0 H CYS A 42 129.956 92.399 48.496 1.00 0.00 H new ATOM 0 HA CYS A 42 127.017 92.065 48.440 1.00 0.00 H new ATOM 0 HB2 CYS A 42 129.242 91.912 46.339 1.00 0.00 H new ATOM 0 HB3 CYS A 42 127.552 91.642 45.964 1.00 0.00 H new ATOM 649 N CYS A 43 129.121 89.560 48.173 1.00 0.00 N ATOM 650 CA CYS A 43 129.175 88.071 48.191 1.00 0.00 C ATOM 651 C CYS A 43 128.845 87.536 49.590 1.00 0.00 C ATOM 652 O CYS A 43 128.090 86.596 49.737 1.00 0.00 O ATOM 653 CB CYS A 43 130.575 87.613 47.777 1.00 0.00 C ATOM 654 SG CYS A 43 130.627 85.804 47.711 1.00 0.00 S ATOM 0 H CYS A 43 130.027 90.027 48.199 1.00 0.00 H new ATOM 0 HA CYS A 43 128.437 87.680 47.491 1.00 0.00 H new ATOM 0 HB2 CYS A 43 130.832 88.030 46.803 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.315 87.983 48.487 1.00 0.00 H new ATOM 659 N HIS A 44 129.404 88.117 50.618 1.00 0.00 N ATOM 660 CA HIS A 44 129.115 87.623 51.999 1.00 0.00 C ATOM 661 C HIS A 44 127.801 88.225 52.501 1.00 0.00 C ATOM 662 O HIS A 44 127.188 87.716 53.418 1.00 0.00 O ATOM 663 CB HIS A 44 130.251 88.040 52.938 1.00 0.00 C ATOM 664 CG HIS A 44 130.156 87.265 54.226 1.00 0.00 C ATOM 665 ND1 HIS A 44 130.314 85.886 54.276 1.00 0.00 N ATOM 666 CD2 HIS A 44 129.925 87.663 55.520 1.00 0.00 C ATOM 667 CE1 HIS A 44 130.176 85.508 55.559 1.00 0.00 C ATOM 668 NE2 HIS A 44 129.938 86.553 56.356 1.00 0.00 N ATOM 0 H HIS A 44 130.045 88.908 50.564 1.00 0.00 H new ATOM 0 HA HIS A 44 129.032 86.536 51.980 1.00 0.00 H new ATOM 0 HB2 HIS A 44 131.215 87.857 52.462 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.194 89.109 53.141 1.00 0.00 H new ATOM 0 HD2 HIS A 44 129.759 88.681 55.839 1.00 0.00 H new ATOM 0 HE1 HIS A 44 130.249 84.487 55.902 1.00 0.00 H new ATOM 0 HE2 HIS A 44 129.796 86.539 57.366 1.00 0.00 H new ATOM 677 N SER A 45 127.368 89.314 51.915 1.00 0.00 N ATOM 678 CA SER A 45 126.096 89.962 52.364 1.00 0.00 C ATOM 679 C SER A 45 125.315 90.462 51.144 1.00 0.00 C ATOM 680 O SER A 45 125.661 90.179 50.015 1.00 0.00 O ATOM 681 CB SER A 45 126.440 91.136 53.287 1.00 0.00 C ATOM 682 OG SER A 45 126.656 90.643 54.604 1.00 0.00 O ATOM 0 H SER A 45 127.842 89.783 51.143 1.00 0.00 H new ATOM 0 HA SER A 45 125.480 89.242 52.903 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.331 91.649 52.926 1.00 0.00 H new ATOM 0 HB3 SER A 45 125.630 91.865 53.286 1.00 0.00 H new ATOM 0 HG SER A 45 126.858 89.685 54.566 1.00 0.00 H new ATOM 688 N ILE A 46 124.257 91.198 51.363 1.00 0.00 N ATOM 689 CA ILE A 46 123.451 91.709 50.216 1.00 0.00 C ATOM 690 C ILE A 46 124.307 92.680 49.400 1.00 0.00 C ATOM 691 O ILE A 46 125.393 93.046 49.800 1.00 0.00 O ATOM 692 CB ILE A 46 122.195 92.434 50.737 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.425 91.537 51.728 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.285 92.808 49.565 1.00 0.00 C ATOM 695 CD1 ILE A 46 120.558 90.507 50.990 1.00 0.00 C ATOM 0 H ILE A 46 123.917 91.467 52.286 1.00 0.00 H new ATOM 0 HA ILE A 46 123.140 90.874 49.588 1.00 0.00 H new ATOM 0 HB ILE A 46 122.508 93.340 51.255 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.131 91.022 52.379 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.794 92.155 52.367 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.399 93.320 49.941 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.823 93.466 48.883 1.00 0.00 H new ATOM 0 HG23 ILE A 46 120.984 91.904 49.035 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.028 89.890 51.716 1.00 0.00 H new ATOM 0 HD12 ILE A 46 119.836 91.025 50.358 1.00 0.00 H new ATOM 0 HD13 ILE A 46 121.193 89.874 50.371 1.00 0.00 H new ATOM 707 N CYS A 47 123.829 93.087 48.249 1.00 0.00 N ATOM 708 CA CYS A 47 124.612 94.025 47.377 1.00 0.00 C ATOM 709 C CYS A 47 123.746 95.227 46.983 1.00 0.00 C ATOM 710 O CYS A 47 122.699 95.079 46.386 1.00 0.00 O ATOM 711 CB CYS A 47 125.036 93.272 46.113 1.00 0.00 C ATOM 712 SG CYS A 47 126.387 94.158 45.294 1.00 0.00 S ATOM 0 H CYS A 47 122.923 92.809 47.872 1.00 0.00 H new ATOM 0 HA CYS A 47 125.487 94.384 47.919 1.00 0.00 H new ATOM 0 HB2 CYS A 47 125.355 92.262 46.370 1.00 0.00 H new ATOM 0 HB3 CYS A 47 124.188 93.176 45.435 1.00 0.00 H new ATOM 717 N SER A 48 124.188 96.417 47.295 1.00 0.00 N ATOM 718 CA SER A 48 123.401 97.625 46.917 1.00 0.00 C ATOM 719 C SER A 48 123.660 97.938 45.446 1.00 0.00 C ATOM 720 O SER A 48 124.739 97.722 44.942 1.00 0.00 O ATOM 721 CB SER A 48 123.838 98.815 47.776 1.00 0.00 C ATOM 722 OG SER A 48 123.208 98.731 49.049 1.00 0.00 O ATOM 0 H SER A 48 125.058 96.603 47.794 1.00 0.00 H new ATOM 0 HA SER A 48 122.339 97.440 47.078 1.00 0.00 H new ATOM 0 HB2 SER A 48 124.922 98.816 47.893 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.570 99.751 47.285 1.00 0.00 H new ATOM 0 HG SER A 48 123.487 99.490 49.603 1.00 0.00 H new ATOM 728 N LEU A 49 122.681 98.451 44.758 1.00 0.00 N ATOM 729 CA LEU A 49 122.856 98.797 43.333 1.00 0.00 C ATOM 730 C LEU A 49 123.524 100.165 43.271 1.00 0.00 C ATOM 731 O LEU A 49 124.408 100.422 42.477 1.00 0.00 O ATOM 732 CB LEU A 49 121.456 98.787 42.679 1.00 0.00 C ATOM 733 CG LEU A 49 121.317 99.849 41.585 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.333 99.600 40.458 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.898 99.781 41.024 1.00 0.00 C ATOM 0 H LEU A 49 121.753 98.646 45.135 1.00 0.00 H new ATOM 0 HA LEU A 49 123.487 98.090 42.794 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.264 97.802 42.253 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.699 98.956 43.445 1.00 0.00 H new ATOM 0 HG LEU A 49 121.511 100.835 42.007 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.219 100.365 39.690 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.344 99.641 40.864 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.157 98.617 40.020 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.779 100.531 40.242 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.719 98.790 40.606 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.181 99.973 41.823 1.00 0.00 H new ATOM 747 N GLU A 50 123.101 101.032 44.131 1.00 0.00 N ATOM 748 CA GLU A 50 123.674 102.393 44.187 1.00 0.00 C ATOM 749 C GLU A 50 125.161 102.268 44.408 1.00 0.00 C ATOM 750 O GLU A 50 125.955 103.124 44.068 1.00 0.00 O ATOM 751 CB GLU A 50 123.037 103.095 45.370 1.00 0.00 C ATOM 752 CG GLU A 50 121.537 103.228 45.117 1.00 0.00 C ATOM 753 CD GLU A 50 120.939 104.259 46.077 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.989 105.435 45.759 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.440 103.852 47.114 1.00 0.00 O1- ATOM 0 H GLU A 50 122.365 100.851 44.814 1.00 0.00 H new ATOM 0 HA GLU A 50 123.490 102.951 43.269 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.216 102.530 46.285 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.484 104.079 45.510 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.358 103.531 44.085 1.00 0.00 H new ATOM 0 HG3 GLU A 50 121.049 102.263 45.255 1.00 0.00 H new ATOM 762 N GLN A 51 125.512 101.187 44.992 1.00 0.00 N ATOM 763 CA GLN A 51 126.934 100.901 45.296 1.00 0.00 C ATOM 764 C GLN A 51 127.659 100.439 44.023 1.00 0.00 C ATOM 765 O GLN A 51 128.857 100.571 43.908 1.00 0.00 O ATOM 766 CB GLN A 51 126.986 99.809 46.366 1.00 0.00 C ATOM 767 CG GLN A 51 128.413 99.289 46.518 1.00 0.00 C ATOM 768 CD GLN A 51 128.530 98.483 47.812 1.00 0.00 C ATOM 769 OE1 GLN A 51 129.038 97.379 47.810 1.00 0.00 O ATOM 770 NE2 GLN A 51 128.079 98.992 48.925 1.00 0.00 N ATOM 0 H GLN A 51 124.861 100.459 45.286 1.00 0.00 H new ATOM 0 HA GLN A 51 127.430 101.800 45.662 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.632 100.205 47.318 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.320 98.990 46.094 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.676 98.665 45.664 1.00 0.00 H new ATOM 0 HG3 GLN A 51 129.115 100.123 46.532 1.00 0.00 H new ATOM 0 HE21 GLN A 51 127.653 99.919 48.926 1.00 0.00 H new ATOM 0 HE22 GLN A 51 128.153 98.463 49.794 1.00 0.00 H new ATOM 779 N LEU A 52 126.949 99.907 43.062 1.00 0.00 N ATOM 780 CA LEU A 52 127.617 99.455 41.809 1.00 0.00 C ATOM 781 C LEU A 52 127.755 100.658 40.871 1.00 0.00 C ATOM 782 O LEU A 52 128.634 100.727 40.038 1.00 0.00 O ATOM 783 CB LEU A 52 126.720 98.423 41.108 1.00 0.00 C ATOM 784 CG LEU A 52 126.256 97.342 42.052 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.266 96.453 41.299 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.427 96.507 42.505 1.00 0.00 C ATOM 0 H LEU A 52 125.939 99.767 43.092 1.00 0.00 H new ATOM 0 HA LEU A 52 128.590 99.024 42.044 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.853 98.927 40.681 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.266 97.971 40.280 1.00 0.00 H new ATOM 0 HG LEU A 52 125.788 97.790 42.928 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.913 95.661 41.959 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.418 97.053 40.967 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.759 96.011 40.433 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.078 95.730 43.186 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.901 96.044 41.639 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.150 97.142 43.018 1.00 0.00 H new ATOM 798 N GLU A 53 126.845 101.579 40.983 1.00 0.00 N ATOM 799 CA GLU A 53 126.839 102.765 40.098 1.00 0.00 C ATOM 800 C GLU A 53 128.083 103.630 40.328 1.00 0.00 C ATOM 801 O GLU A 53 128.452 104.432 39.492 1.00 0.00 O ATOM 802 CB GLU A 53 125.551 103.552 40.414 1.00 0.00 C ATOM 803 CG GLU A 53 124.442 103.206 39.409 1.00 0.00 C ATOM 804 CD GLU A 53 123.198 104.041 39.718 1.00 0.00 C ATOM 805 OE1 GLU A 53 123.240 105.238 39.487 1.00 0.00 O ATOM 806 OE2 GLU A 53 122.223 103.469 40.178 1.00 0.00 O1- ATOM 0 H GLU A 53 126.089 101.556 41.667 1.00 0.00 H new ATOM 0 HA GLU A 53 126.860 102.465 39.050 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.217 103.321 41.425 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.756 104.622 40.383 1.00 0.00 H new ATOM 0 HG2 GLU A 53 124.783 103.403 38.393 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.204 102.144 39.465 1.00 0.00 H new ATOM 813 N ASN A 54 128.732 103.477 41.439 1.00 0.00 N ATOM 814 CA ASN A 54 129.954 104.289 41.713 1.00 0.00 C ATOM 815 C ASN A 54 131.176 103.563 41.151 1.00 0.00 C ATOM 816 O ASN A 54 132.281 104.064 41.184 1.00 0.00 O ATOM 817 CB ASN A 54 130.115 104.469 43.223 1.00 0.00 C ATOM 818 CG ASN A 54 128.827 105.041 43.809 1.00 0.00 C ATOM 819 OD1 ASN A 54 128.131 105.796 43.159 1.00 0.00 O ATOM 820 ND2 ASN A 54 128.478 104.711 45.021 1.00 0.00 N ATOM 0 H ASN A 54 128.473 102.823 42.177 1.00 0.00 H new ATOM 0 HA ASN A 54 129.861 105.267 41.240 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.346 103.512 43.691 1.00 0.00 H new ATOM 0 HB3 ASN A 54 130.950 105.137 43.433 1.00 0.00 H new ATOM 0 HD21 ASN A 54 127.620 105.087 45.425 1.00 0.00 H new ATOM 0 HD22 ASN A 54 129.063 104.077 45.565 1.00 0.00 H new ATOM 827 N TYR A 55 130.986 102.358 40.690 1.00 0.00 N ATOM 828 CA TYR A 55 132.132 101.551 40.182 1.00 0.00 C ATOM 829 C TYR A 55 132.405 101.848 38.704 1.00 0.00 C ATOM 830 O TYR A 55 133.362 101.367 38.133 1.00 0.00 O ATOM 831 CB TYR A 55 131.798 100.067 40.351 1.00 0.00 C ATOM 832 CG TYR A 55 131.954 99.702 41.797 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.287 100.425 42.778 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.815 98.684 42.155 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.485 100.130 44.115 1.00 0.00 C ATOM 836 CE2 TYR A 55 133.006 98.375 43.494 1.00 0.00 C ATOM 837 CZ TYR A 55 132.344 99.103 44.484 1.00 0.00 C ATOM 838 OH TYR A 55 132.547 98.819 45.819 1.00 0.00 O ATOM 0 H TYR A 55 130.079 101.894 40.643 1.00 0.00 H new ATOM 0 HA TYR A 55 133.026 101.810 40.750 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.779 99.869 40.019 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.459 99.458 39.734 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.612 101.220 42.496 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.340 98.128 41.392 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.970 100.700 44.874 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.669 97.569 43.771 1.00 0.00 H new ATOM 0 HH TYR A 55 131.740 99.042 46.327 1.00 0.00 H new ATOM 848 N CYS A 56 131.564 102.616 38.077 1.00 0.00 N ATOM 849 CA CYS A 56 131.761 102.926 36.630 1.00 0.00 C ATOM 850 C CYS A 56 132.781 104.064 36.462 1.00 0.00 C ATOM 851 O CYS A 56 132.537 105.189 36.851 1.00 0.00 O ATOM 852 CB CYS A 56 130.411 103.318 36.007 1.00 0.00 C ATOM 853 SG CYS A 56 129.058 102.754 37.073 1.00 0.00 S ATOM 0 H CYS A 56 130.743 103.046 38.503 1.00 0.00 H new ATOM 0 HA CYS A 56 132.149 102.044 36.121 1.00 0.00 H new ATOM 0 HB2 CYS A 56 130.359 104.399 35.879 1.00 0.00 H new ATOM 0 HB3 CYS A 56 130.315 102.875 35.016 1.00 0.00 H new ATOM 858 N ASN A 57 133.920 103.775 35.884 1.00 0.00 N ATOM 859 CA ASN A 57 134.959 104.832 35.689 1.00 0.00 C ATOM 860 C ASN A 57 135.107 105.658 36.970 1.00 0.00 C ATOM 861 O ASN A 57 135.161 105.062 38.032 1.00 0.00 O ATOM 862 CB ASN A 57 134.547 105.748 34.535 1.00 0.00 C ATOM 863 CG ASN A 57 135.736 106.622 34.129 1.00 0.00 C ATOM 864 OD1 ASN A 57 136.854 106.372 34.533 1.00 0.00 O ATOM 865 ND2 ASN A 57 135.543 107.642 33.340 1.00 0.00 N ATOM 866 OXT ASN A 57 135.162 106.872 36.864 1.00 0.00 O ATOM 0 H ASN A 57 134.176 102.850 35.538 1.00 0.00 H new ATOM 0 HA ASN A 57 135.912 104.358 35.455 1.00 0.00 H new ATOM 0 HB2 ASN A 57 134.213 105.153 33.685 1.00 0.00 H new ATOM 0 HB3 ASN A 57 133.707 106.374 34.836 1.00 0.00 H new ATOM 0 HD21 ASN A 57 136.330 108.229 33.063 1.00 0.00 H new ATOM 0 HD22 ASN A 57 134.605 107.853 33.000 1.00 0.00 H new