USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 HIS : no HD1:sc= -0.583 K(o=-0.57,f=-2) USER MOD Set 1.2: A 45 SER OG : rot 58:sc= 0.00872 USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.21! C(o=-1.2!,f=-1.6!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 5 HIS : no HD1:sc= -2.18! K(o=-2.2!,f=0.3) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0384 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 114:sc= 0.00359 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0716 USER MOD Single : A 41 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.16) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.17 K(o=-2.2,f=-0.27) USER MOD Single : A 54 ASN : amide:sc= -0.219 K(o=-0.22,f=-2.1!) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.62 USER MOD Single : A 57 ASN : amide:sc= -0.643 K(o=-0.64,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.743 91.032 39.182 1.00 0.00 N ATOM 2 CA PHE A 1 120.337 90.903 40.535 1.00 0.00 C ATOM 3 C PHE A 1 119.472 91.637 41.560 1.00 0.00 C ATOM 4 O PHE A 1 119.706 92.781 41.910 1.00 0.00 O ATOM 5 CB PHE A 1 121.759 91.476 40.539 1.00 0.00 C ATOM 6 CG PHE A 1 121.907 92.567 41.596 1.00 0.00 C ATOM 7 CD1 PHE A 1 122.300 92.258 42.910 1.00 0.00 C ATOM 8 CD2 PHE A 1 121.663 93.902 41.249 1.00 0.00 C ATOM 9 CE1 PHE A 1 122.441 93.285 43.863 1.00 0.00 C ATOM 10 CE2 PHE A 1 121.801 94.920 42.206 1.00 0.00 C ATOM 11 CZ PHE A 1 122.190 94.612 43.513 1.00 0.00 C ATOM 0 H1 PHE A 1 120.338 90.530 38.492 1.00 0.00 H new ATOM 0 H2 PHE A 1 118.788 90.619 39.181 1.00 0.00 H new ATOM 0 H3 PHE A 1 119.686 92.037 38.923 1.00 0.00 H new ATOM 0 HA PHE A 1 120.380 89.847 40.803 1.00 0.00 H new ATOM 0 HB2 PHE A 1 122.476 90.678 40.732 1.00 0.00 H new ATOM 0 HB3 PHE A 1 121.993 91.883 39.556 1.00 0.00 H new ATOM 0 HD1 PHE A 1 122.494 91.233 43.189 1.00 0.00 H new ATOM 0 HD2 PHE A 1 121.367 94.149 40.240 1.00 0.00 H new ATOM 0 HE1 PHE A 1 122.745 93.044 44.871 1.00 0.00 H new ATOM 0 HE2 PHE A 1 121.606 95.946 41.931 1.00 0.00 H new ATOM 0 HZ PHE A 1 122.296 95.397 44.247 1.00 0.00 H new ATOM 23 N VAL A 2 118.524 90.955 42.117 1.00 0.00 N ATOM 24 CA VAL A 2 117.719 91.583 43.200 1.00 0.00 C ATOM 25 C VAL A 2 118.566 91.665 44.470 1.00 0.00 C ATOM 26 O VAL A 2 118.180 91.184 45.516 1.00 0.00 O ATOM 27 CB VAL A 2 116.475 90.737 43.471 1.00 0.00 C ATOM 28 CG1 VAL A 2 115.486 90.899 42.315 1.00 0.00 C ATOM 29 CG2 VAL A 2 116.878 89.266 43.594 1.00 0.00 C ATOM 0 H VAL A 2 118.268 89.997 41.876 1.00 0.00 H new ATOM 0 HA VAL A 2 117.414 92.584 42.895 1.00 0.00 H new ATOM 0 HB VAL A 2 116.006 91.066 44.399 1.00 0.00 H new ATOM 0 HG11 VAL A 2 114.599 90.296 42.508 1.00 0.00 H new ATOM 0 HG12 VAL A 2 115.200 91.947 42.225 1.00 0.00 H new ATOM 0 HG13 VAL A 2 115.954 90.570 41.387 1.00 0.00 H new ATOM 0 HG21 VAL A 2 115.992 88.661 43.787 1.00 0.00 H new ATOM 0 HG22 VAL A 2 117.346 88.938 42.666 1.00 0.00 H new ATOM 0 HG23 VAL A 2 117.583 89.150 44.417 1.00 0.00 H new ATOM 39 N ASN A 3 119.718 92.273 44.386 1.00 0.00 N ATOM 40 CA ASN A 3 120.586 92.387 45.586 1.00 0.00 C ATOM 41 C ASN A 3 121.090 90.988 45.977 1.00 0.00 C ATOM 42 O ASN A 3 122.130 90.566 45.513 1.00 0.00 O ATOM 43 CB ASN A 3 119.787 93.055 46.714 1.00 0.00 C ATOM 44 CG ASN A 3 118.790 94.048 46.109 1.00 0.00 C ATOM 45 OD1 ASN A 3 119.120 94.771 45.189 1.00 0.00 O ATOM 46 ND2 ASN A 3 117.580 94.117 46.588 1.00 0.00 N ATOM 0 H ASN A 3 120.093 92.695 43.537 1.00 0.00 H new ATOM 0 HA ASN A 3 121.459 93.007 45.382 1.00 0.00 H new ATOM 0 HB2 ASN A 3 119.258 92.301 47.297 1.00 0.00 H new ATOM 0 HB3 ASN A 3 120.462 93.570 47.397 1.00 0.00 H new ATOM 0 HD21 ASN A 3 116.911 94.777 46.191 1.00 0.00 H new ATOM 0 HD22 ASN A 3 117.302 93.511 47.360 1.00 0.00 H new ATOM 53 N GLN A 4 120.359 90.263 46.791 1.00 0.00 N ATOM 54 CA GLN A 4 120.775 88.875 47.201 1.00 0.00 C ATOM 55 C GLN A 4 122.301 88.731 47.256 1.00 0.00 C ATOM 56 O GLN A 4 123.019 89.681 47.496 1.00 0.00 O ATOM 57 CB GLN A 4 120.186 87.850 46.220 1.00 0.00 C ATOM 58 CG GLN A 4 120.782 88.027 44.815 1.00 0.00 C ATOM 59 CD GLN A 4 120.189 86.972 43.879 1.00 0.00 C ATOM 60 OE1 GLN A 4 120.238 85.793 44.166 1.00 0.00 O ATOM 61 NE2 GLN A 4 119.628 87.348 42.762 1.00 0.00 N ATOM 0 H GLN A 4 119.477 90.576 47.197 1.00 0.00 H new ATOM 0 HA GLN A 4 120.391 88.691 48.204 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.386 86.841 46.579 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.103 87.964 46.176 1.00 0.00 H new ATOM 0 HG2 GLN A 4 120.566 89.027 44.439 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.867 87.928 44.852 1.00 0.00 H new ATOM 0 HE21 GLN A 4 119.586 88.338 42.520 1.00 0.00 H new ATOM 0 HE22 GLN A 4 119.231 86.652 42.131 1.00 0.00 H new ATOM 70 N HIS A 5 122.798 87.539 47.036 1.00 0.00 N ATOM 71 CA HIS A 5 124.276 87.311 47.070 1.00 0.00 C ATOM 72 C HIS A 5 124.819 87.307 45.638 1.00 0.00 C ATOM 73 O HIS A 5 124.274 86.667 44.761 1.00 0.00 O ATOM 74 CB HIS A 5 124.566 85.960 47.728 1.00 0.00 C ATOM 75 CG HIS A 5 123.704 84.898 47.102 1.00 0.00 C ATOM 76 ND1 HIS A 5 124.208 83.974 46.197 1.00 0.00 N ATOM 77 CD2 HIS A 5 122.371 84.599 47.241 1.00 0.00 C ATOM 78 CE1 HIS A 5 123.192 83.170 45.831 1.00 0.00 C ATOM 79 NE2 HIS A 5 122.054 83.510 46.438 1.00 0.00 N ATOM 0 H HIS A 5 122.240 86.709 46.833 1.00 0.00 H new ATOM 0 HA HIS A 5 124.757 88.105 47.642 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.619 85.705 47.609 1.00 0.00 H new ATOM 0 HB3 HIS A 5 124.371 86.016 48.799 1.00 0.00 H new ATOM 0 HD2 HIS A 5 121.676 85.128 47.876 1.00 0.00 H new ATOM 0 HE1 HIS A 5 123.287 82.352 45.133 1.00 0.00 H new ATOM 0 HE2 HIS A 5 121.142 83.064 46.335 1.00 0.00 H new ATOM 88 N LEU A 6 125.887 88.024 45.399 1.00 0.00 N ATOM 89 CA LEU A 6 126.483 88.082 44.026 1.00 0.00 C ATOM 90 C LEU A 6 128.006 87.894 44.141 1.00 0.00 C ATOM 91 O LEU A 6 128.706 88.752 44.639 1.00 0.00 O ATOM 92 CB LEU A 6 126.160 89.464 43.400 1.00 0.00 C ATOM 93 CG LEU A 6 125.156 89.352 42.236 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.898 88.571 42.667 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.763 90.773 41.788 1.00 0.00 C ATOM 0 H LEU A 6 126.377 88.577 46.102 1.00 0.00 H new ATOM 0 HA LEU A 6 126.070 87.296 43.393 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.753 90.123 44.167 1.00 0.00 H new ATOM 0 HB3 LEU A 6 127.081 89.923 43.041 1.00 0.00 H new ATOM 0 HG LEU A 6 125.621 88.811 41.412 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.205 88.506 41.828 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.183 87.567 42.981 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.416 89.088 43.497 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.052 90.711 40.964 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.306 91.304 42.623 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.653 91.310 41.460 1.00 0.00 H new ATOM 107 N CYS A 7 128.514 86.781 43.670 1.00 0.00 N ATOM 108 CA CYS A 7 129.990 86.520 43.728 1.00 0.00 C ATOM 109 C CYS A 7 130.497 86.249 42.310 1.00 0.00 C ATOM 110 O CYS A 7 129.750 86.316 41.356 1.00 0.00 O ATOM 111 CB CYS A 7 130.259 85.299 44.612 1.00 0.00 C ATOM 112 SG CYS A 7 129.383 85.489 46.185 1.00 0.00 S ATOM 0 H CYS A 7 127.965 86.034 43.244 1.00 0.00 H new ATOM 0 HA CYS A 7 130.505 87.384 44.147 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.929 84.391 44.107 1.00 0.00 H new ATOM 0 HB3 CYS A 7 131.329 85.194 44.790 1.00 0.00 H new ATOM 117 N GLY A 8 131.758 85.950 42.153 1.00 0.00 N ATOM 118 CA GLY A 8 132.291 85.686 40.783 1.00 0.00 C ATOM 119 C GLY A 8 131.842 86.809 39.845 1.00 0.00 C ATOM 120 O GLY A 8 131.681 87.941 40.256 1.00 0.00 O ATOM 0 H GLY A 8 132.440 85.877 42.908 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.379 85.629 40.808 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.930 84.724 40.418 1.00 0.00 H new ATOM 124 N SER A 9 131.629 86.513 38.590 1.00 0.00 N ATOM 125 CA SER A 9 131.183 87.580 37.647 1.00 0.00 C ATOM 126 C SER A 9 129.676 87.805 37.808 1.00 0.00 C ATOM 127 O SER A 9 129.146 88.798 37.354 1.00 0.00 O ATOM 128 CB SER A 9 131.512 87.189 36.207 1.00 0.00 C ATOM 129 OG SER A 9 131.251 85.804 36.020 1.00 0.00 O ATOM 0 H SER A 9 131.743 85.586 38.180 1.00 0.00 H new ATOM 0 HA SER A 9 131.710 88.506 37.878 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.914 87.780 35.513 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.558 87.405 35.990 1.00 0.00 H new ATOM 0 HG SER A 9 131.460 85.554 35.096 1.00 0.00 H new ATOM 135 N HIS A 10 128.970 86.922 38.481 1.00 0.00 N ATOM 136 CA HIS A 10 127.507 87.171 38.678 1.00 0.00 C ATOM 137 C HIS A 10 127.392 88.572 39.251 1.00 0.00 C ATOM 138 O HIS A 10 126.403 89.262 39.093 1.00 0.00 O ATOM 139 CB HIS A 10 126.912 86.163 39.667 1.00 0.00 C ATOM 140 CG HIS A 10 126.734 84.833 38.987 1.00 0.00 C ATOM 141 ND1 HIS A 10 127.650 83.801 39.131 1.00 0.00 N ATOM 142 CD2 HIS A 10 125.752 84.352 38.157 1.00 0.00 C ATOM 143 CE1 HIS A 10 127.205 82.759 38.402 1.00 0.00 C ATOM 144 NE2 HIS A 10 126.054 83.045 37.792 1.00 0.00 N ATOM 0 H HIS A 10 129.334 86.062 38.892 1.00 0.00 H new ATOM 0 HA HIS A 10 126.966 87.067 37.738 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.568 86.056 40.531 1.00 0.00 H new ATOM 0 HB3 HIS A 10 125.953 86.525 40.037 1.00 0.00 H new ATOM 0 HD2 HIS A 10 124.880 84.903 37.837 1.00 0.00 H new ATOM 0 HE1 HIS A 10 127.716 81.811 38.322 1.00 0.00 H new ATOM 0 HE2 HIS A 10 125.509 82.433 37.185 1.00 0.00 H new ATOM 153 N LEU A 11 128.450 89.000 39.882 1.00 0.00 N ATOM 154 CA LEU A 11 128.508 90.345 40.441 1.00 0.00 C ATOM 155 C LEU A 11 128.871 91.283 39.300 1.00 0.00 C ATOM 156 O LEU A 11 128.227 92.286 39.065 1.00 0.00 O ATOM 157 CB LEU A 11 129.594 90.352 41.502 1.00 0.00 C ATOM 158 CG LEU A 11 129.903 91.774 41.929 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.615 92.537 42.252 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.809 91.737 43.156 1.00 0.00 C ATOM 0 H LEU A 11 129.292 88.444 40.028 1.00 0.00 H new ATOM 0 HA LEU A 11 127.565 90.656 40.890 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.273 89.768 42.364 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.495 89.878 41.113 1.00 0.00 H new ATOM 0 HG LEU A 11 130.406 92.291 41.111 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.861 93.554 42.556 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.978 92.566 41.368 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.088 92.034 43.062 1.00 0.00 H new ATOM 0 HD21 LEU A 11 131.037 92.755 43.471 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.303 91.211 43.966 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.735 91.218 42.909 1.00 0.00 H new ATOM 172 N VAL A 12 129.893 90.934 38.559 1.00 0.00 N ATOM 173 CA VAL A 12 130.295 91.772 37.399 1.00 0.00 C ATOM 174 C VAL A 12 129.066 92.103 36.596 1.00 0.00 C ATOM 175 O VAL A 12 128.874 93.216 36.153 1.00 0.00 O ATOM 176 CB VAL A 12 131.216 90.981 36.457 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.270 91.688 35.081 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.611 90.878 37.059 1.00 0.00 C ATOM 0 H VAL A 12 130.464 90.103 38.711 1.00 0.00 H new ATOM 0 HA VAL A 12 130.800 92.661 37.778 1.00 0.00 H new ATOM 0 HB VAL A 12 130.824 89.973 36.324 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.923 91.129 34.410 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.267 91.734 34.656 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.658 92.699 35.206 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.258 90.316 36.385 1.00 0.00 H new ATOM 0 HG22 VAL A 12 133.020 91.878 37.204 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.556 90.366 38.020 1.00 0.00 H new ATOM 188 N GLU A 13 128.270 91.119 36.343 1.00 0.00 N ATOM 189 CA GLU A 13 127.101 91.350 35.509 1.00 0.00 C ATOM 190 C GLU A 13 126.378 92.581 35.987 1.00 0.00 C ATOM 191 O GLU A 13 126.243 93.544 35.273 1.00 0.00 O ATOM 192 CB GLU A 13 126.165 90.167 35.587 1.00 0.00 C ATOM 193 CG GLU A 13 125.243 90.186 34.370 1.00 0.00 C ATOM 194 CD GLU A 13 124.091 89.200 34.579 1.00 0.00 C ATOM 195 OE1 GLU A 13 123.017 89.456 34.061 1.00 0.00 O ATOM 196 OE2 GLU A 13 124.303 88.206 35.254 1.00 0.00 O1- ATOM 0 H GLU A 13 128.387 90.165 36.683 1.00 0.00 H new ATOM 0 HA GLU A 13 127.425 91.486 34.477 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.734 89.237 35.615 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.579 90.210 36.505 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.850 91.191 34.215 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.803 89.921 33.473 1.00 0.00 H new ATOM 203 N ALA A 14 125.947 92.556 37.215 1.00 0.00 N ATOM 204 CA ALA A 14 125.238 93.723 37.781 1.00 0.00 C ATOM 205 C ALA A 14 126.002 94.971 37.399 1.00 0.00 C ATOM 206 O ALA A 14 125.504 95.805 36.679 1.00 0.00 O ATOM 207 CB ALA A 14 125.214 93.595 39.302 1.00 0.00 C ATOM 0 H ALA A 14 126.059 91.768 37.853 1.00 0.00 H new ATOM 0 HA ALA A 14 124.218 93.774 37.401 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.693 94.451 39.731 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.696 92.678 39.582 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.236 93.565 39.681 1.00 0.00 H new ATOM 213 N LEU A 15 127.225 95.075 37.831 1.00 0.00 N ATOM 214 CA LEU A 15 128.043 96.254 37.458 1.00 0.00 C ATOM 215 C LEU A 15 127.876 96.513 35.961 1.00 0.00 C ATOM 216 O LEU A 15 127.631 97.620 35.540 1.00 0.00 O ATOM 217 CB LEU A 15 129.515 95.954 37.760 1.00 0.00 C ATOM 218 CG LEU A 15 129.735 95.904 39.280 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.915 94.983 39.602 1.00 0.00 C ATOM 220 CD2 LEU A 15 130.028 97.317 39.815 1.00 0.00 C ATOM 0 H LEU A 15 127.693 94.392 38.427 1.00 0.00 H new ATOM 0 HA LEU A 15 127.724 97.129 38.024 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.801 95.003 37.310 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.150 96.721 37.316 1.00 0.00 H new ATOM 0 HG LEU A 15 128.833 95.519 39.756 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.067 94.951 40.681 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.703 93.979 39.235 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.815 95.363 39.120 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.183 97.273 40.893 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.925 97.709 39.335 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.184 97.971 39.596 1.00 0.00 H new ATOM 232 N TYR A 16 127.976 95.484 35.156 1.00 0.00 N ATOM 233 CA TYR A 16 127.790 95.676 33.694 1.00 0.00 C ATOM 234 C TYR A 16 126.427 96.349 33.493 1.00 0.00 C ATOM 235 O TYR A 16 126.303 97.337 32.801 1.00 0.00 O ATOM 236 CB TYR A 16 127.890 94.290 32.975 1.00 0.00 C ATOM 237 CG TYR A 16 126.767 94.016 31.980 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.123 92.776 31.963 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.407 94.980 31.058 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.117 92.513 31.024 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.404 94.732 30.123 1.00 0.00 C ATOM 242 CZ TYR A 16 124.756 93.496 30.102 1.00 0.00 C ATOM 243 OH TYR A 16 123.767 93.246 29.173 1.00 0.00 O ATOM 0 H TYR A 16 128.177 94.528 35.450 1.00 0.00 H new ATOM 0 HA TYR A 16 128.562 96.312 33.260 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.845 94.233 32.452 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.892 93.502 33.728 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.402 92.016 32.678 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.909 95.936 31.062 1.00 0.00 H new ATOM 0 HE1 TYR A 16 124.623 91.553 31.014 1.00 0.00 H new ATOM 0 HE2 TYR A 16 125.128 95.498 29.413 1.00 0.00 H new ATOM 0 HH TYR A 16 123.640 94.037 28.609 1.00 0.00 H new ATOM 253 N LEU A 17 125.411 95.814 34.090 1.00 0.00 N ATOM 254 CA LEU A 17 124.054 96.404 33.930 1.00 0.00 C ATOM 255 C LEU A 17 124.065 97.880 34.283 1.00 0.00 C ATOM 256 O LEU A 17 123.751 98.739 33.481 1.00 0.00 O ATOM 257 CB LEU A 17 123.089 95.722 34.892 1.00 0.00 C ATOM 258 CG LEU A 17 123.240 94.221 34.781 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.209 93.525 35.674 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.071 93.762 33.343 1.00 0.00 C ATOM 0 H LEU A 17 125.457 94.988 34.687 1.00 0.00 H new ATOM 0 HA LEU A 17 123.749 96.267 32.893 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.290 96.044 35.914 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.064 96.013 34.662 1.00 0.00 H new ATOM 0 HG LEU A 17 124.244 93.954 35.110 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.324 92.444 35.589 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.363 93.826 36.710 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.205 93.809 35.360 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.184 92.679 33.291 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.079 94.041 32.986 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.828 94.236 32.718 1.00 0.00 H new ATOM 272 N VAL A 18 124.374 98.165 35.508 1.00 0.00 N ATOM 273 CA VAL A 18 124.360 99.557 35.983 1.00 0.00 C ATOM 274 C VAL A 18 125.445 100.372 35.257 1.00 0.00 C ATOM 275 O VAL A 18 125.295 101.556 35.030 1.00 0.00 O ATOM 276 CB VAL A 18 124.532 99.558 37.536 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.618 98.130 38.091 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.777 100.343 37.963 1.00 0.00 C ATOM 0 H VAL A 18 124.640 97.475 36.211 1.00 0.00 H new ATOM 0 HA VAL A 18 123.409 100.037 35.753 1.00 0.00 H new ATOM 0 HB VAL A 18 123.649 100.046 37.948 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.737 98.167 39.174 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.705 97.588 37.845 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.473 97.619 37.649 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.865 100.323 39.049 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.663 99.890 37.518 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.690 101.376 37.625 1.00 0.00 H new ATOM 288 N CYS A 19 126.533 99.752 34.901 1.00 0.00 N ATOM 289 CA CYS A 19 127.630 100.493 34.199 1.00 0.00 C ATOM 290 C CYS A 19 127.458 100.367 32.683 1.00 0.00 C ATOM 291 O CYS A 19 128.234 100.902 31.914 1.00 0.00 O ATOM 292 CB CYS A 19 128.977 99.900 34.611 1.00 0.00 C ATOM 293 SG CYS A 19 129.092 99.887 36.418 1.00 0.00 S ATOM 0 H CYS A 19 126.716 98.762 35.064 1.00 0.00 H new ATOM 0 HA CYS A 19 127.590 101.547 34.474 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.077 98.887 34.221 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.792 100.487 34.187 1.00 0.00 H new ATOM 298 N GLY A 20 126.450 99.667 32.245 1.00 0.00 N ATOM 299 CA GLY A 20 126.229 99.509 30.779 1.00 0.00 C ATOM 300 C GLY A 20 127.540 99.116 30.093 1.00 0.00 C ATOM 301 O GLY A 20 128.378 98.450 30.667 1.00 0.00 O ATOM 0 H GLY A 20 125.768 99.196 32.839 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.471 98.747 30.597 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.853 100.441 30.357 1.00 0.00 H new ATOM 305 N GLU A 21 127.720 99.524 28.864 1.00 0.00 N ATOM 306 CA GLU A 21 128.973 99.177 28.130 1.00 0.00 C ATOM 307 C GLU A 21 130.072 100.172 28.506 1.00 0.00 C ATOM 308 O GLU A 21 131.240 99.956 28.248 1.00 0.00 O ATOM 309 CB GLU A 21 128.707 99.241 26.615 1.00 0.00 C ATOM 310 CG GLU A 21 127.248 98.849 26.332 1.00 0.00 C ATOM 311 CD GLU A 21 126.336 100.072 26.479 1.00 0.00 C ATOM 312 OE1 GLU A 21 126.674 101.109 25.933 1.00 0.00 O ATOM 313 OE2 GLU A 21 125.316 99.948 27.137 1.00 0.00 O1- ATOM 0 H GLU A 21 127.051 100.084 28.335 1.00 0.00 H new ATOM 0 HA GLU A 21 129.293 98.170 28.399 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.903 100.247 26.243 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.384 98.569 26.088 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.162 98.440 25.325 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.933 98.066 27.022 1.00 0.00 H new ATOM 320 N ARG A 22 129.692 101.265 29.101 1.00 0.00 N ATOM 321 CA ARG A 22 130.691 102.306 29.497 1.00 0.00 C ATOM 322 C ARG A 22 131.935 101.653 30.110 1.00 0.00 C ATOM 323 O ARG A 22 132.982 102.262 30.198 1.00 0.00 O ATOM 324 CB ARG A 22 130.063 103.248 30.526 1.00 0.00 C ATOM 325 CG ARG A 22 128.687 103.703 30.036 1.00 0.00 C ATOM 326 CD ARG A 22 128.205 104.881 30.887 1.00 0.00 C ATOM 327 NE ARG A 22 126.925 105.404 30.333 1.00 0.00 N ATOM 328 CZ ARG A 22 126.342 106.427 30.898 1.00 0.00 C ATOM 329 NH1 ARG A 22 125.220 106.886 30.414 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 126.879 106.989 31.946 1.00 0.00 N ATOM 0 H ARG A 22 128.724 101.488 29.334 1.00 0.00 H new ATOM 0 HA ARG A 22 130.985 102.863 28.607 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.969 102.742 31.487 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.708 104.113 30.683 1.00 0.00 H new ATOM 0 HG2 ARG A 22 128.741 103.996 28.988 1.00 0.00 H new ATOM 0 HG3 ARG A 22 127.976 102.879 30.100 1.00 0.00 H new ATOM 0 HD2 ARG A 22 128.063 104.563 31.920 1.00 0.00 H new ATOM 0 HD3 ARG A 22 128.958 105.669 30.896 1.00 0.00 H new ATOM 0 HE ARG A 22 126.505 104.964 29.514 1.00 0.00 H new ATOM 0 HH11 ARG A 22 124.800 106.446 29.596 1.00 0.00 H new ATOM 0 HH12 ARG A 22 124.764 107.685 30.854 1.00 0.00 H new ATOM 0 HH21 ARG A 22 127.755 106.629 32.325 1.00 0.00 H new ATOM 0 HH22 ARG A 22 126.423 107.788 32.386 1.00 0.00 H new ATOM 344 N GLY A 23 131.832 100.422 30.540 1.00 0.00 N ATOM 345 CA GLY A 23 133.012 99.742 31.153 1.00 0.00 C ATOM 346 C GLY A 23 132.973 99.945 32.663 1.00 0.00 C ATOM 347 O GLY A 23 132.662 101.016 33.146 1.00 0.00 O ATOM 0 H GLY A 23 130.983 99.859 30.493 1.00 0.00 H new ATOM 0 HA2 GLY A 23 132.999 98.678 30.916 1.00 0.00 H new ATOM 0 HA3 GLY A 23 133.936 100.149 30.742 1.00 0.00 H new ATOM 351 N PHE A 24 133.275 98.917 33.413 1.00 0.00 N ATOM 352 CA PHE A 24 133.248 99.022 34.906 1.00 0.00 C ATOM 353 C PHE A 24 134.559 98.485 35.485 1.00 0.00 C ATOM 354 O PHE A 24 135.245 97.694 34.870 1.00 0.00 O ATOM 355 CB PHE A 24 132.075 98.196 35.425 1.00 0.00 C ATOM 356 CG PHE A 24 132.086 96.848 34.759 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.817 95.823 35.328 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.372 96.624 33.577 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.849 94.566 34.721 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.406 95.358 32.974 1.00 0.00 C ATOM 361 CZ PHE A 24 132.144 94.338 33.547 1.00 0.00 C ATOM 0 H PHE A 24 133.542 98.001 33.053 1.00 0.00 H new ATOM 0 HA PHE A 24 133.134 100.063 35.208 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.146 98.081 36.507 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.135 98.708 35.220 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.364 95.994 36.243 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.797 97.422 33.131 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.424 93.768 35.167 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.856 95.180 32.062 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.172 93.364 33.081 1.00 0.00 H new ATOM 371 N PHE A 25 134.917 98.922 36.664 1.00 0.00 N ATOM 372 CA PHE A 25 136.190 98.456 37.290 1.00 0.00 C ATOM 373 C PHE A 25 135.966 97.126 38.017 1.00 0.00 C ATOM 374 O PHE A 25 135.126 97.017 38.889 1.00 0.00 O ATOM 375 CB PHE A 25 136.667 99.505 38.297 1.00 0.00 C ATOM 376 CG PHE A 25 138.050 99.167 38.769 1.00 0.00 C ATOM 377 CD1 PHE A 25 138.266 98.809 40.101 1.00 0.00 C ATOM 378 CD2 PHE A 25 139.122 99.222 37.874 1.00 0.00 C ATOM 379 CE1 PHE A 25 139.550 98.505 40.538 1.00 0.00 C ATOM 380 CE2 PHE A 25 140.410 98.917 38.313 1.00 0.00 C ATOM 381 CZ PHE A 25 140.628 98.556 39.647 1.00 0.00 C ATOM 0 H PHE A 25 134.380 99.585 37.223 1.00 0.00 H new ATOM 0 HA PHE A 25 136.940 98.315 36.512 1.00 0.00 H new ATOM 0 HB2 PHE A 25 136.662 100.493 37.836 1.00 0.00 H new ATOM 0 HB3 PHE A 25 135.983 99.545 39.145 1.00 0.00 H new ATOM 0 HD1 PHE A 25 137.436 98.768 40.791 1.00 0.00 H new ATOM 0 HD2 PHE A 25 138.953 99.500 36.844 1.00 0.00 H new ATOM 0 HE1 PHE A 25 139.716 98.228 41.569 1.00 0.00 H new ATOM 0 HE2 PHE A 25 141.240 98.959 37.623 1.00 0.00 H new ATOM 0 HZ PHE A 25 141.625 98.318 39.988 1.00 0.00 H new ATOM 391 N TYR A 26 136.725 96.120 37.673 1.00 0.00 N ATOM 392 CA TYR A 26 136.575 94.798 38.348 1.00 0.00 C ATOM 393 C TYR A 26 137.698 93.867 37.892 1.00 0.00 C ATOM 394 O TYR A 26 137.502 93.001 37.062 1.00 0.00 O ATOM 395 CB TYR A 26 135.226 94.175 37.988 1.00 0.00 C ATOM 396 CG TYR A 26 134.954 93.010 38.907 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.448 93.240 40.191 1.00 0.00 C ATOM 398 CD2 TYR A 26 135.205 91.701 38.478 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.195 92.165 41.046 1.00 0.00 C ATOM 400 CE2 TYR A 26 134.952 90.623 39.334 1.00 0.00 C ATOM 401 CZ TYR A 26 134.445 90.855 40.618 1.00 0.00 C ATOM 402 OH TYR A 26 134.193 89.794 41.464 1.00 0.00 O ATOM 0 H TYR A 26 137.445 96.157 36.951 1.00 0.00 H new ATOM 0 HA TYR A 26 136.626 94.941 39.427 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.433 94.918 38.079 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.232 93.841 36.950 1.00 0.00 H new ATOM 0 HD1 TYR A 26 134.253 94.250 40.521 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.594 91.523 37.486 1.00 0.00 H new ATOM 0 HE1 TYR A 26 133.806 92.344 42.038 1.00 0.00 H new ATOM 0 HE2 TYR A 26 135.148 89.613 39.004 1.00 0.00 H new ATOM 0 HH TYR A 26 133.467 89.248 41.097 1.00 0.00 H new ATOM 412 N THR A 27 138.874 94.040 38.427 1.00 0.00 N ATOM 413 CA THR A 27 140.013 93.166 38.026 1.00 0.00 C ATOM 414 C THR A 27 139.592 91.695 38.169 1.00 0.00 C ATOM 415 O THR A 27 138.465 91.394 38.508 1.00 0.00 O ATOM 416 CB THR A 27 141.226 93.469 38.933 1.00 0.00 C ATOM 417 OG1 THR A 27 141.140 94.812 39.385 1.00 0.00 O ATOM 418 CG2 THR A 27 142.540 93.281 38.160 1.00 0.00 C ATOM 0 H THR A 27 139.097 94.749 39.125 1.00 0.00 H new ATOM 0 HA THR A 27 140.289 93.357 36.989 1.00 0.00 H new ATOM 0 HB THR A 27 141.216 92.782 39.779 1.00 0.00 H new ATOM 0 HG1 THR A 27 141.906 95.012 39.963 1.00 0.00 H new ATOM 0 HG21 THR A 27 143.383 93.499 38.816 1.00 0.00 H new ATOM 0 HG22 THR A 27 142.611 92.252 37.808 1.00 0.00 H new ATOM 0 HG23 THR A 27 142.560 93.958 37.306 1.00 0.00 H new ATOM 426 N ASP A 28 140.489 90.779 37.917 1.00 0.00 N ATOM 427 CA ASP A 28 140.146 89.339 38.041 1.00 0.00 C ATOM 428 C ASP A 28 140.267 88.931 39.520 1.00 0.00 C ATOM 429 O ASP A 28 140.869 89.628 40.313 1.00 0.00 O ATOM 430 CB ASP A 28 141.131 88.529 37.162 1.00 0.00 C ATOM 431 CG ASP A 28 140.406 87.924 35.950 1.00 0.00 C ATOM 432 OD1 ASP A 28 140.738 86.808 35.582 1.00 0.00 O ATOM 433 OD2 ASP A 28 139.533 88.587 35.414 1.00 0.00 O1- ATOM 0 H ASP A 28 141.449 90.971 37.629 1.00 0.00 H new ATOM 0 HA ASP A 28 139.127 89.144 37.707 1.00 0.00 H new ATOM 0 HB2 ASP A 28 141.940 89.176 36.822 1.00 0.00 H new ATOM 0 HB3 ASP A 28 141.586 87.735 37.754 1.00 0.00 H new ATOM 438 N PRO A 29 139.539 87.898 39.923 1.00 0.00 N ATOM 439 CA PRO A 29 139.468 87.449 41.349 1.00 0.00 C ATOM 440 C PRO A 29 140.707 86.731 41.765 1.00 0.00 C ATOM 441 O PRO A 29 140.689 85.593 42.190 1.00 0.00 O ATOM 442 CB PRO A 29 138.303 86.482 41.394 1.00 0.00 C ATOM 443 CG PRO A 29 138.223 85.936 40.013 1.00 0.00 C ATOM 444 CD PRO A 29 138.688 87.058 39.069 1.00 0.00 C ATOM 0 HA PRO A 29 139.354 88.301 42.019 1.00 0.00 H new ATOM 0 HB2 PRO A 29 138.471 85.691 42.125 1.00 0.00 H new ATOM 0 HB3 PRO A 29 137.379 86.986 41.676 1.00 0.00 H new ATOM 0 HG2 PRO A 29 138.855 85.054 39.908 1.00 0.00 H new ATOM 0 HG3 PRO A 29 137.205 85.628 39.777 1.00 0.00 H new ATOM 0 HD2 PRO A 29 139.241 86.662 38.218 1.00 0.00 H new ATOM 0 HD3 PRO A 29 137.844 87.620 38.668 1.00 0.00 H new ATOM 452 N THR A 30 141.782 87.379 41.638 1.00 0.00 N ATOM 453 CA THR A 30 143.013 86.737 42.007 1.00 0.00 C ATOM 454 C THR A 30 144.046 87.823 42.175 1.00 0.00 C ATOM 455 O THR A 30 144.525 88.033 43.267 1.00 0.00 O ATOM 456 CB THR A 30 143.307 85.758 40.898 1.00 0.00 C ATOM 457 OG1 THR A 30 142.617 86.225 39.742 1.00 0.00 O ATOM 458 CG2 THR A 30 142.734 84.389 41.299 1.00 0.00 C ATOM 0 H THR A 30 141.863 88.335 41.291 1.00 0.00 H new ATOM 0 HA THR A 30 142.989 86.185 42.946 1.00 0.00 H new ATOM 0 HB THR A 30 144.377 85.670 40.710 1.00 0.00 H new ATOM 0 HG1 THR A 30 142.783 85.615 38.993 1.00 0.00 H new ATOM 0 HG21 THR A 30 142.936 83.665 40.510 1.00 0.00 H new ATOM 0 HG22 THR A 30 143.202 84.056 42.225 1.00 0.00 H new ATOM 0 HG23 THR A 30 141.657 84.474 41.447 1.00 0.00 H new ATOM 466 N GLU A 31 144.358 88.570 41.148 1.00 0.00 N ATOM 467 CA GLU A 31 145.339 89.669 41.362 1.00 0.00 C ATOM 468 C GLU A 31 144.836 90.563 42.509 1.00 0.00 C ATOM 469 O GLU A 31 143.751 91.120 42.467 1.00 0.00 O ATOM 470 CB GLU A 31 145.523 90.536 40.111 1.00 0.00 C ATOM 471 CG GLU A 31 145.922 89.682 38.905 1.00 0.00 C ATOM 472 CD GLU A 31 147.445 89.766 38.642 1.00 0.00 C ATOM 473 OE1 GLU A 31 148.046 90.800 38.924 1.00 0.00 O ATOM 474 OE2 GLU A 31 147.977 88.788 38.145 1.00 0.00 O1- ATOM 0 H GLU A 31 143.990 88.472 40.202 1.00 0.00 H new ATOM 0 HA GLU A 31 146.301 89.215 41.600 1.00 0.00 H new ATOM 0 HB2 GLU A 31 144.597 91.068 39.894 1.00 0.00 H new ATOM 0 HB3 GLU A 31 146.288 91.290 40.296 1.00 0.00 H new ATOM 0 HG2 GLU A 31 145.637 88.645 39.080 1.00 0.00 H new ATOM 0 HG3 GLU A 31 145.378 90.018 38.022 1.00 0.00 H new ATOM 481 N GLU A 32 145.634 90.708 43.526 1.00 0.00 N ATOM 482 CA GLU A 32 145.253 91.563 44.689 1.00 0.00 C ATOM 483 C GLU A 32 143.779 91.385 45.022 1.00 0.00 C ATOM 484 O GLU A 32 143.242 92.108 45.830 1.00 0.00 O ATOM 485 CB GLU A 32 145.497 93.042 44.359 1.00 0.00 C ATOM 486 CG GLU A 32 144.388 93.546 43.417 1.00 0.00 C ATOM 487 CD GLU A 32 143.992 95.011 43.747 1.00 0.00 C ATOM 488 OE1 GLU A 32 143.441 95.671 42.869 1.00 0.00 O ATOM 489 OE2 GLU A 32 144.231 95.448 44.866 1.00 0.00 O1- ATOM 0 H GLU A 32 146.549 90.265 43.605 1.00 0.00 H new ATOM 0 HA GLU A 32 145.863 91.262 45.541 1.00 0.00 H new ATOM 0 HB2 GLU A 32 145.508 93.633 45.275 1.00 0.00 H new ATOM 0 HB3 GLU A 32 146.473 93.165 43.889 1.00 0.00 H new ATOM 0 HG2 GLU A 32 144.729 93.483 42.384 1.00 0.00 H new ATOM 0 HG3 GLU A 32 143.513 92.902 43.504 1.00 0.00 H new ATOM 496 N GLY A 33 143.101 90.465 44.410 1.00 0.00 N ATOM 497 CA GLY A 33 141.658 90.320 44.732 1.00 0.00 C ATOM 498 C GLY A 33 140.858 91.334 43.922 1.00 0.00 C ATOM 499 O GLY A 33 141.396 92.210 43.291 1.00 0.00 O ATOM 0 H GLY A 33 143.471 89.818 43.714 1.00 0.00 H new ATOM 0 HA2 GLY A 33 141.322 89.308 44.504 1.00 0.00 H new ATOM 0 HA3 GLY A 33 141.494 90.477 45.798 1.00 0.00 H new ATOM 503 N PRO A 34 139.583 91.173 43.913 1.00 0.00 N ATOM 504 CA PRO A 34 138.665 92.041 43.122 1.00 0.00 C ATOM 505 C PRO A 34 138.597 93.538 43.502 1.00 0.00 C ATOM 506 O PRO A 34 138.292 94.347 42.660 1.00 0.00 O ATOM 507 CB PRO A 34 137.303 91.379 43.306 1.00 0.00 C ATOM 508 CG PRO A 34 137.407 90.544 44.536 1.00 0.00 C ATOM 509 CD PRO A 34 138.862 90.132 44.652 1.00 0.00 C ATOM 0 HA PRO A 34 139.032 92.096 42.097 1.00 0.00 H new ATOM 0 HB2 PRO A 34 136.518 92.128 43.409 1.00 0.00 H new ATOM 0 HB3 PRO A 34 137.048 90.767 42.441 1.00 0.00 H new ATOM 0 HG2 PRO A 34 137.091 91.106 45.415 1.00 0.00 H new ATOM 0 HG3 PRO A 34 136.760 89.669 44.468 1.00 0.00 H new ATOM 0 HD2 PRO A 34 139.183 90.086 45.693 1.00 0.00 H new ATOM 0 HD3 PRO A 34 139.033 89.145 44.222 1.00 0.00 H new ATOM 517 N ARG A 35 138.833 93.930 44.719 1.00 0.00 N ATOM 518 CA ARG A 35 138.716 95.393 45.053 1.00 0.00 C ATOM 519 C ARG A 35 138.337 95.488 46.527 1.00 0.00 C ATOM 520 O ARG A 35 138.028 96.551 47.029 1.00 0.00 O ATOM 521 CB ARG A 35 137.596 96.045 44.192 1.00 0.00 C ATOM 522 CG ARG A 35 137.696 97.582 44.192 1.00 0.00 C ATOM 523 CD ARG A 35 136.331 98.170 43.791 1.00 0.00 C ATOM 524 NE ARG A 35 136.516 99.339 42.885 1.00 0.00 N ATOM 525 CZ ARG A 35 136.573 100.545 43.382 1.00 0.00 C ATOM 526 NH1 ARG A 35 136.755 101.567 42.593 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 136.426 100.732 44.666 1.00 0.00 N ATOM 0 H ARG A 35 139.098 93.321 45.493 1.00 0.00 H new ATOM 0 HA ARG A 35 139.654 95.910 44.851 1.00 0.00 H new ATOM 0 HB2 ARG A 35 137.663 95.676 43.168 1.00 0.00 H new ATOM 0 HB3 ARG A 35 136.621 95.744 44.576 1.00 0.00 H new ATOM 0 HG2 ARG A 35 137.986 97.941 45.180 1.00 0.00 H new ATOM 0 HG3 ARG A 35 138.467 97.910 43.495 1.00 0.00 H new ATOM 0 HD2 ARG A 35 135.731 97.408 43.294 1.00 0.00 H new ATOM 0 HD3 ARG A 35 135.783 98.476 44.682 1.00 0.00 H new ATOM 0 HE ARG A 35 136.598 99.197 41.878 1.00 0.00 H new ATOM 0 HH11 ARG A 35 136.853 101.424 41.588 1.00 0.00 H new ATOM 0 HH12 ARG A 35 136.800 102.509 42.981 1.00 0.00 H new ATOM 0 HH21 ARG A 35 136.266 99.935 45.282 1.00 0.00 H new ATOM 0 HH22 ARG A 35 136.471 101.675 45.052 1.00 0.00 H new ATOM 541 N ARG A 36 138.349 94.355 47.205 1.00 0.00 N ATOM 542 CA ARG A 36 137.982 94.306 48.654 1.00 0.00 C ATOM 543 C ARG A 36 136.983 95.407 48.973 1.00 0.00 C ATOM 544 O ARG A 36 137.329 96.562 49.115 1.00 0.00 O ATOM 545 CB ARG A 36 139.232 94.483 49.516 1.00 0.00 C ATOM 546 CG ARG A 36 139.257 93.426 50.622 1.00 0.00 C ATOM 547 CD ARG A 36 140.692 92.939 50.815 1.00 0.00 C ATOM 548 NE ARG A 36 140.969 91.809 49.886 1.00 0.00 N ATOM 549 CZ ARG A 36 142.165 91.284 49.835 1.00 0.00 C ATOM 550 NH1 ARG A 36 142.400 90.269 49.044 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 143.124 91.780 50.574 1.00 0.00 N ATOM 0 H ARG A 36 138.602 93.453 46.803 1.00 0.00 H new ATOM 0 HA ARG A 36 137.531 93.337 48.871 1.00 0.00 H new ATOM 0 HB2 ARG A 36 140.126 94.396 48.898 1.00 0.00 H new ATOM 0 HB3 ARG A 36 139.243 95.481 49.955 1.00 0.00 H new ATOM 0 HG2 ARG A 36 138.874 93.846 51.552 1.00 0.00 H new ATOM 0 HG3 ARG A 36 138.608 92.590 50.358 1.00 0.00 H new ATOM 0 HD2 ARG A 36 141.391 93.755 50.629 1.00 0.00 H new ATOM 0 HD3 ARG A 36 140.842 92.619 51.846 1.00 0.00 H new ATOM 0 HE ARG A 36 140.226 91.445 49.290 1.00 0.00 H new ATOM 0 HH11 ARG A 36 141.650 89.888 48.467 1.00 0.00 H new ATOM 0 HH12 ARG A 36 143.333 89.859 49.004 1.00 0.00 H new ATOM 0 HH21 ARG A 36 142.937 92.573 51.187 1.00 0.00 H new ATOM 0 HH22 ARG A 36 144.059 91.373 50.537 1.00 0.00 H new ATOM 565 N GLY A 37 135.743 95.065 49.092 1.00 0.00 N ATOM 566 CA GLY A 37 134.726 96.112 49.401 1.00 0.00 C ATOM 567 C GLY A 37 133.376 95.659 48.859 1.00 0.00 C ATOM 568 O GLY A 37 132.463 95.349 49.596 1.00 0.00 O ATOM 0 H GLY A 37 135.382 94.116 48.991 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.666 96.274 50.477 1.00 0.00 H new ATOM 0 HA3 GLY A 37 135.014 97.062 48.951 1.00 0.00 H new ATOM 572 N ILE A 38 133.251 95.619 47.567 1.00 0.00 N ATOM 573 CA ILE A 38 131.976 95.189 46.938 1.00 0.00 C ATOM 574 C ILE A 38 131.815 93.677 47.080 1.00 0.00 C ATOM 575 O ILE A 38 130.742 93.167 47.319 1.00 0.00 O ATOM 576 CB ILE A 38 132.046 95.539 45.451 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.662 95.389 44.821 1.00 0.00 C ATOM 578 CG2 ILE A 38 133.051 94.614 44.735 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.767 95.596 43.307 1.00 0.00 C ATOM 0 H ILE A 38 133.989 95.870 46.909 1.00 0.00 H new ATOM 0 HA ILE A 38 131.134 95.686 47.419 1.00 0.00 H new ATOM 0 HB ILE A 38 132.380 96.571 45.344 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.257 94.400 45.037 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.974 96.116 45.252 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.093 94.872 43.677 1.00 0.00 H new ATOM 0 HG22 ILE A 38 134.039 94.738 45.178 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.732 93.577 44.843 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.780 95.489 42.856 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.154 96.594 43.102 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.442 94.852 42.884 1.00 0.00 H new ATOM 591 N VAL A 39 132.881 92.968 46.888 1.00 0.00 N ATOM 592 CA VAL A 39 132.841 91.498 46.950 1.00 0.00 C ATOM 593 C VAL A 39 132.592 91.023 48.379 1.00 0.00 C ATOM 594 O VAL A 39 131.620 90.353 48.661 1.00 0.00 O ATOM 595 CB VAL A 39 134.206 91.015 46.470 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.379 89.533 46.777 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.339 91.270 44.964 1.00 0.00 C ATOM 0 H VAL A 39 133.801 93.360 46.686 1.00 0.00 H new ATOM 0 HA VAL A 39 132.033 91.103 46.333 1.00 0.00 H new ATOM 0 HB VAL A 39 134.987 91.566 46.994 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.357 89.201 46.429 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.303 89.373 47.852 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.601 88.963 46.269 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.314 90.925 44.621 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.556 90.729 44.433 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.242 92.337 44.766 1.00 0.00 H new ATOM 607 N GLU A 40 133.469 91.347 49.274 1.00 0.00 N ATOM 608 CA GLU A 40 133.291 90.895 50.676 1.00 0.00 C ATOM 609 C GLU A 40 131.942 91.387 51.213 1.00 0.00 C ATOM 610 O GLU A 40 131.406 90.841 52.154 1.00 0.00 O ATOM 611 CB GLU A 40 134.428 91.455 51.525 1.00 0.00 C ATOM 612 CG GLU A 40 135.769 91.178 50.837 1.00 0.00 C ATOM 613 CD GLU A 40 136.909 91.395 51.832 1.00 0.00 C ATOM 614 OE1 GLU A 40 136.882 92.400 52.525 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.790 90.553 51.887 1.00 0.00 O1- ATOM 0 H GLU A 40 134.304 91.906 49.098 1.00 0.00 H new ATOM 0 HA GLU A 40 133.307 89.806 50.718 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.295 92.528 51.666 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.415 90.999 52.515 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.792 90.156 50.460 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.892 91.838 49.978 1.00 0.00 H new ATOM 622 N GLN A 41 131.389 92.418 50.627 1.00 0.00 N ATOM 623 CA GLN A 41 130.074 92.945 51.113 1.00 0.00 C ATOM 624 C GLN A 41 128.915 92.338 50.308 1.00 0.00 C ATOM 625 O GLN A 41 127.896 91.974 50.859 1.00 0.00 O ATOM 626 CB GLN A 41 130.050 94.466 50.961 1.00 0.00 C ATOM 627 CG GLN A 41 128.869 95.037 51.746 1.00 0.00 C ATOM 628 CD GLN A 41 129.158 94.944 53.245 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.281 94.633 54.026 1.00 0.00 O ATOM 630 NE2 GLN A 41 130.360 95.201 53.682 1.00 0.00 N ATOM 0 H GLN A 41 131.789 92.919 49.834 1.00 0.00 H new ATOM 0 HA GLN A 41 129.955 92.671 52.161 1.00 0.00 H new ATOM 0 HB2 GLN A 41 130.984 94.894 51.326 1.00 0.00 H new ATOM 0 HB3 GLN A 41 129.966 94.736 49.908 1.00 0.00 H new ATOM 0 HG2 GLN A 41 128.698 96.075 51.462 1.00 0.00 H new ATOM 0 HG3 GLN A 41 127.959 94.487 51.506 1.00 0.00 H new ATOM 0 HE21 GLN A 41 131.096 95.462 53.026 1.00 0.00 H new ATOM 0 HE22 GLN A 41 130.564 95.141 54.680 1.00 0.00 H new ATOM 639 N CYS A 42 129.046 92.246 49.008 1.00 0.00 N ATOM 640 CA CYS A 42 127.928 91.685 48.183 1.00 0.00 C ATOM 641 C CYS A 42 128.012 90.151 48.128 1.00 0.00 C ATOM 642 O CYS A 42 127.013 89.476 47.987 1.00 0.00 O ATOM 643 CB CYS A 42 127.995 92.264 46.755 1.00 0.00 C ATOM 644 SG CYS A 42 126.315 92.451 46.102 1.00 0.00 S ATOM 0 H CYS A 42 129.873 92.533 48.484 1.00 0.00 H new ATOM 0 HA CYS A 42 126.981 91.963 48.644 1.00 0.00 H new ATOM 0 HB2 CYS A 42 128.502 93.229 46.765 1.00 0.00 H new ATOM 0 HB3 CYS A 42 128.576 91.605 46.110 1.00 0.00 H new ATOM 649 N CYS A 43 129.189 89.592 48.224 1.00 0.00 N ATOM 650 CA CYS A 43 129.306 88.103 48.162 1.00 0.00 C ATOM 651 C CYS A 43 128.972 87.499 49.529 1.00 0.00 C ATOM 652 O CYS A 43 128.116 86.643 49.644 1.00 0.00 O ATOM 653 CB CYS A 43 130.732 87.715 47.755 1.00 0.00 C ATOM 654 SG CYS A 43 130.835 85.919 47.525 1.00 0.00 S ATOM 0 H CYS A 43 130.068 90.095 48.342 1.00 0.00 H new ATOM 0 HA CYS A 43 128.605 87.717 47.422 1.00 0.00 H new ATOM 0 HB2 CYS A 43 131.009 88.226 46.833 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.439 88.034 48.521 1.00 0.00 H new ATOM 659 N HIS A 44 129.629 87.937 50.569 1.00 0.00 N ATOM 660 CA HIS A 44 129.331 87.382 51.921 1.00 0.00 C ATOM 661 C HIS A 44 128.020 87.982 52.431 1.00 0.00 C ATOM 662 O HIS A 44 127.337 87.405 53.253 1.00 0.00 O ATOM 663 CB HIS A 44 130.464 87.739 52.885 1.00 0.00 C ATOM 664 CG HIS A 44 130.162 87.175 54.245 1.00 0.00 C ATOM 665 ND1 HIS A 44 129.323 87.820 55.145 1.00 0.00 N ATOM 666 CD2 HIS A 44 130.576 86.027 54.876 1.00 0.00 C ATOM 667 CE1 HIS A 44 129.261 87.063 56.257 1.00 0.00 C ATOM 668 NE2 HIS A 44 130.006 85.962 56.142 1.00 0.00 N ATOM 0 H HIS A 44 130.356 88.652 50.542 1.00 0.00 H new ATOM 0 HA HIS A 44 129.241 86.298 51.859 1.00 0.00 H new ATOM 0 HB2 HIS A 44 131.409 87.340 52.516 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.577 88.821 52.945 1.00 0.00 H new ATOM 0 HD2 HIS A 44 131.242 85.289 54.454 1.00 0.00 H new ATOM 0 HE1 HIS A 44 128.681 87.315 57.132 1.00 0.00 H new ATOM 0 HE2 HIS A 44 130.131 85.227 56.838 1.00 0.00 H new ATOM 677 N SER A 45 127.664 89.139 51.940 1.00 0.00 N ATOM 678 CA SER A 45 126.396 89.799 52.375 1.00 0.00 C ATOM 679 C SER A 45 125.733 90.441 51.154 1.00 0.00 C ATOM 680 O SER A 45 126.183 90.275 50.040 1.00 0.00 O ATOM 681 CB SER A 45 126.714 90.874 53.418 1.00 0.00 C ATOM 682 OG SER A 45 126.939 90.253 54.677 1.00 0.00 O ATOM 0 H SER A 45 128.203 89.661 51.249 1.00 0.00 H new ATOM 0 HA SER A 45 125.722 89.064 52.816 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.595 91.441 53.116 1.00 0.00 H new ATOM 0 HB3 SER A 45 125.889 91.582 53.491 1.00 0.00 H new ATOM 0 HG SER A 45 127.667 89.602 54.595 1.00 0.00 H new ATOM 688 N ILE A 46 124.668 91.173 51.348 1.00 0.00 N ATOM 689 CA ILE A 46 123.985 91.824 50.188 1.00 0.00 C ATOM 690 C ILE A 46 124.517 93.251 50.018 1.00 0.00 C ATOM 691 O ILE A 46 124.837 93.920 50.980 1.00 0.00 O ATOM 692 CB ILE A 46 122.480 91.859 50.441 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.998 90.434 50.744 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.766 92.388 49.193 1.00 0.00 C ATOM 695 CD1 ILE A 46 120.477 90.347 50.601 1.00 0.00 C ATOM 0 H ILE A 46 124.241 91.349 52.257 1.00 0.00 H new ATOM 0 HA ILE A 46 124.184 91.256 49.279 1.00 0.00 H new ATOM 0 HB ILE A 46 122.258 92.512 51.285 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.475 89.729 50.063 1.00 0.00 H new ATOM 0 HG13 ILE A 46 122.292 90.150 51.755 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.691 92.414 49.372 1.00 0.00 H new ATOM 0 HG22 ILE A 46 122.121 93.394 48.970 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.977 91.733 48.348 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.149 89.331 50.819 1.00 0.00 H new ATOM 0 HD12 ILE A 46 120.006 91.038 51.300 1.00 0.00 H new ATOM 0 HD13 ILE A 46 120.192 90.610 49.582 1.00 0.00 H new ATOM 707 N CYS A 47 124.603 93.720 48.794 1.00 0.00 N ATOM 708 CA CYS A 47 125.100 95.110 48.533 1.00 0.00 C ATOM 709 C CYS A 47 124.027 95.896 47.774 1.00 0.00 C ATOM 710 O CYS A 47 123.081 95.334 47.260 1.00 0.00 O ATOM 711 CB CYS A 47 126.382 95.041 47.702 1.00 0.00 C ATOM 712 SG CYS A 47 126.004 94.449 46.031 1.00 0.00 S ATOM 0 H CYS A 47 124.348 93.194 47.958 1.00 0.00 H new ATOM 0 HA CYS A 47 125.312 95.611 49.477 1.00 0.00 H new ATOM 0 HB2 CYS A 47 126.846 96.026 47.652 1.00 0.00 H new ATOM 0 HB3 CYS A 47 127.100 94.374 48.180 1.00 0.00 H new ATOM 717 N SER A 48 124.157 97.196 47.716 1.00 0.00 N ATOM 718 CA SER A 48 123.136 98.028 47.010 1.00 0.00 C ATOM 719 C SER A 48 123.506 98.193 45.533 1.00 0.00 C ATOM 720 O SER A 48 124.614 97.927 45.117 1.00 0.00 O ATOM 721 CB SER A 48 123.064 99.409 47.683 1.00 0.00 C ATOM 722 OG SER A 48 121.719 99.869 47.662 1.00 0.00 O ATOM 0 H SER A 48 124.929 97.720 48.129 1.00 0.00 H new ATOM 0 HA SER A 48 122.167 97.533 47.070 1.00 0.00 H new ATOM 0 HB2 SER A 48 123.423 99.346 48.710 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.711 100.115 47.162 1.00 0.00 H new ATOM 0 HG SER A 48 121.667 100.748 48.091 1.00 0.00 H new ATOM 728 N LEU A 49 122.579 98.663 44.751 1.00 0.00 N ATOM 729 CA LEU A 49 122.836 98.901 43.321 1.00 0.00 C ATOM 730 C LEU A 49 123.524 100.256 43.228 1.00 0.00 C ATOM 731 O LEU A 49 124.418 100.486 42.437 1.00 0.00 O ATOM 732 CB LEU A 49 121.470 98.875 42.600 1.00 0.00 C ATOM 733 CG LEU A 49 121.384 99.911 41.475 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.464 99.652 40.410 1.00 0.00 C ATOM 735 CD2 LEU A 49 120.000 99.817 40.843 1.00 0.00 C ATOM 0 H LEU A 49 121.634 98.895 45.057 1.00 0.00 H new ATOM 0 HA LEU A 49 123.475 98.152 42.854 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.298 97.880 42.188 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.677 99.062 43.324 1.00 0.00 H new ATOM 0 HG LEU A 49 121.549 100.908 41.884 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.384 100.400 39.621 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.450 99.714 40.870 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.324 98.659 39.984 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.917 100.547 40.038 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.851 98.815 40.440 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.241 100.021 41.598 1.00 0.00 H new ATOM 747 N GLU A 50 123.104 101.144 44.068 1.00 0.00 N ATOM 748 CA GLU A 50 123.691 102.498 44.104 1.00 0.00 C ATOM 749 C GLU A 50 125.168 102.364 44.380 1.00 0.00 C ATOM 750 O GLU A 50 125.981 103.199 44.036 1.00 0.00 O ATOM 751 CB GLU A 50 123.019 103.245 45.240 1.00 0.00 C ATOM 752 CG GLU A 50 121.523 103.334 44.954 1.00 0.00 C ATOM 753 CD GLU A 50 120.888 104.407 45.841 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.397 104.055 46.901 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.906 105.561 45.445 1.00 0.00 O1- ATOM 0 H GLU A 50 122.360 100.984 44.748 1.00 0.00 H new ATOM 0 HA GLU A 50 123.548 103.030 43.164 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.192 102.730 46.185 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.444 104.244 45.339 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.358 103.573 43.903 1.00 0.00 H new ATOM 0 HG3 GLU A 50 121.050 102.370 45.139 1.00 0.00 H new ATOM 762 N GLN A 51 125.493 101.296 45.007 1.00 0.00 N ATOM 763 CA GLN A 51 126.907 101.012 45.358 1.00 0.00 C ATOM 764 C GLN A 51 127.659 100.516 44.115 1.00 0.00 C ATOM 765 O GLN A 51 128.865 100.617 44.037 1.00 0.00 O ATOM 766 CB GLN A 51 126.931 99.948 46.462 1.00 0.00 C ATOM 767 CG GLN A 51 128.356 99.418 46.654 1.00 0.00 C ATOM 768 CD GLN A 51 128.470 98.729 48.015 1.00 0.00 C ATOM 769 OE1 GLN A 51 129.531 98.693 48.605 1.00 0.00 O ATOM 770 NE2 GLN A 51 127.411 98.181 48.540 1.00 0.00 N ATOM 0 H GLN A 51 124.829 100.581 45.304 1.00 0.00 H new ATOM 0 HA GLN A 51 127.397 101.917 45.716 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.565 100.374 47.396 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.262 99.128 46.202 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.604 98.716 45.858 1.00 0.00 H new ATOM 0 HG3 GLN A 51 129.071 100.238 46.589 1.00 0.00 H new ATOM 0 HE21 GLN A 51 126.521 98.212 48.043 1.00 0.00 H new ATOM 0 HE22 GLN A 51 127.472 97.721 49.448 1.00 0.00 H new ATOM 779 N LEU A 52 126.965 99.998 43.132 1.00 0.00 N ATOM 780 CA LEU A 52 127.647 99.527 41.897 1.00 0.00 C ATOM 781 C LEU A 52 127.828 100.733 40.977 1.00 0.00 C ATOM 782 O LEU A 52 128.778 100.843 40.235 1.00 0.00 O ATOM 783 CB LEU A 52 126.731 98.529 41.175 1.00 0.00 C ATOM 784 CG LEU A 52 126.262 97.423 42.094 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.262 96.566 41.320 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.432 96.557 42.504 1.00 0.00 C ATOM 0 H LEU A 52 125.952 99.883 43.136 1.00 0.00 H new ATOM 0 HA LEU A 52 128.602 99.062 42.144 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.866 99.056 40.772 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.263 98.096 40.328 1.00 0.00 H new ATOM 0 HG LEU A 52 125.807 97.850 42.988 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.905 95.758 41.958 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.419 97.182 41.009 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.748 96.145 40.440 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.083 95.764 43.166 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.887 96.116 41.617 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.170 97.166 43.025 1.00 0.00 H new ATOM 798 N GLU A 53 126.883 101.625 41.006 1.00 0.00 N ATOM 799 CA GLU A 53 126.934 102.813 40.134 1.00 0.00 C ATOM 800 C GLU A 53 128.171 103.655 40.459 1.00 0.00 C ATOM 801 O GLU A 53 128.618 104.452 39.658 1.00 0.00 O ATOM 802 CB GLU A 53 125.638 103.602 40.367 1.00 0.00 C ATOM 803 CG GLU A 53 124.584 103.212 39.320 1.00 0.00 C ATOM 804 CD GLU A 53 123.295 103.992 39.577 1.00 0.00 C ATOM 805 OE1 GLU A 53 123.135 105.047 38.985 1.00 0.00 O ATOM 806 OE2 GLU A 53 122.486 103.520 40.360 1.00 0.00 O1- ATOM 0 H GLU A 53 126.064 101.575 41.611 1.00 0.00 H new ATOM 0 HA GLU A 53 127.012 102.529 39.084 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.257 103.402 41.369 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.840 104.672 40.310 1.00 0.00 H new ATOM 0 HG2 GLU A 53 124.956 103.424 38.318 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.389 102.141 39.367 1.00 0.00 H new ATOM 813 N ASN A 54 128.739 103.470 41.611 1.00 0.00 N ATOM 814 CA ASN A 54 129.961 104.242 41.968 1.00 0.00 C ATOM 815 C ASN A 54 131.170 103.521 41.376 1.00 0.00 C ATOM 816 O ASN A 54 132.282 104.010 41.411 1.00 0.00 O ATOM 817 CB ASN A 54 130.099 104.310 43.491 1.00 0.00 C ATOM 818 CG ASN A 54 128.831 104.914 44.094 1.00 0.00 C ATOM 819 OD1 ASN A 54 127.977 105.401 43.381 1.00 0.00 O ATOM 820 ND2 ASN A 54 128.674 104.902 45.388 1.00 0.00 N ATOM 0 H ASN A 54 128.412 102.818 42.324 1.00 0.00 H new ATOM 0 HA ASN A 54 129.896 105.256 41.574 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.267 103.312 43.896 1.00 0.00 H new ATOM 0 HB3 ASN A 54 130.966 104.913 43.761 1.00 0.00 H new ATOM 0 HD21 ASN A 54 127.833 105.302 45.803 1.00 0.00 H new ATOM 0 HD22 ASN A 54 129.392 104.492 45.985 1.00 0.00 H new ATOM 827 N TYR A 55 130.955 102.339 40.858 1.00 0.00 N ATOM 828 CA TYR A 55 132.076 101.544 40.288 1.00 0.00 C ATOM 829 C TYR A 55 132.237 101.878 38.805 1.00 0.00 C ATOM 830 O TYR A 55 133.335 101.957 38.290 1.00 0.00 O ATOM 831 CB TYR A 55 131.788 100.046 40.454 1.00 0.00 C ATOM 832 CG TYR A 55 131.972 99.680 41.894 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.313 100.391 42.888 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.840 98.665 42.232 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.527 100.087 44.220 1.00 0.00 C ATOM 836 CE2 TYR A 55 133.050 98.348 43.565 1.00 0.00 C ATOM 837 CZ TYR A 55 132.396 99.064 44.569 1.00 0.00 C ATOM 838 OH TYR A 55 132.618 98.770 45.899 1.00 0.00 O ATOM 0 H TYR A 55 130.041 101.889 40.807 1.00 0.00 H new ATOM 0 HA TYR A 55 132.997 101.790 40.816 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.771 99.819 40.133 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.459 99.460 39.826 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.631 101.184 42.620 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.357 98.116 41.458 1.00 0.00 H new ATOM 0 HE1 TYR A 55 131.017 100.647 44.990 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.722 97.544 43.828 1.00 0.00 H new ATOM 0 HH TYR A 55 131.816 98.984 46.420 1.00 0.00 H new ATOM 848 N CYS A 56 131.147 102.079 38.114 1.00 0.00 N ATOM 849 CA CYS A 56 131.229 102.413 36.667 1.00 0.00 C ATOM 850 C CYS A 56 132.211 103.571 36.465 1.00 0.00 C ATOM 851 O CYS A 56 131.950 104.693 36.852 1.00 0.00 O ATOM 852 CB CYS A 56 129.838 102.810 36.161 1.00 0.00 C ATOM 853 SG CYS A 56 128.593 101.769 36.962 1.00 0.00 S ATOM 0 H CYS A 56 130.201 102.026 38.493 1.00 0.00 H new ATOM 0 HA CYS A 56 131.582 101.547 36.107 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.645 103.861 36.378 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.785 102.693 35.079 1.00 0.00 H new ATOM 858 N ASN A 57 133.338 103.304 35.867 1.00 0.00 N ATOM 859 CA ASN A 57 134.339 104.385 35.643 1.00 0.00 C ATOM 860 C ASN A 57 134.561 105.153 36.948 1.00 0.00 C ATOM 861 O ASN A 57 133.930 106.182 37.122 1.00 0.00 O ATOM 862 CB ASN A 57 133.826 105.346 34.569 1.00 0.00 C ATOM 863 CG ASN A 57 134.946 106.310 34.169 1.00 0.00 C ATOM 864 OD1 ASN A 57 135.872 106.529 34.925 1.00 0.00 O ATOM 865 ND2 ASN A 57 134.900 106.898 33.006 1.00 0.00 N ATOM 866 OXT ASN A 57 135.361 104.699 37.751 1.00 0.00 O ATOM 0 H ASN A 57 133.610 102.383 35.523 1.00 0.00 H new ATOM 0 HA ASN A 57 135.280 103.943 35.315 1.00 0.00 H new ATOM 0 HB2 ASN A 57 133.485 104.786 33.698 1.00 0.00 H new ATOM 0 HB3 ASN A 57 132.968 105.904 34.945 1.00 0.00 H new ATOM 0 HD21 ASN A 57 135.641 107.542 32.730 1.00 0.00 H new ATOM 0 HD22 ASN A 57 134.123 106.714 32.372 1.00 0.00 H new