USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN : amide:sc= -3.48! C(o=-7.2!,f=0.46!) USER MOD Set 1.2: A 51 GLN : amide:sc= -3.73! K(o=-7.2!,f=0.46) USER MOD Set 2.1: A 44 HIS : no HD1:sc=-0.00123 X(o=-0.0012,f=-0.14) USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 PHE N :NH3+ 175:sc= -0.242 (180deg=-0.341) USER MOD Set 3.2: A 4 GLN : amide:sc= -0.0416 X(o=-0.28,f=-0.34) USER MOD Single : A 3 ASN : amide:sc= -3.08! C(o=-3.1!,f=-7.5!) USER MOD Single : A 5 HIS : no HD1:sc= -2.66! K(o=-2.7!,f=0.54) USER MOD Single : A 9 SER OG : rot 180:sc= 0.049 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 128:sc= 0.298 USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.23! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -7.87! C(o=-7.9!,f=-7.2!) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.568 USER MOD Single : A 57 ASN : amide:sc= -0.0711 X(o=-0.071,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 120.353 89.948 41.209 1.00 0.00 N ATOM 2 CA PHE A 1 121.195 90.886 42.008 1.00 0.00 C ATOM 3 C PHE A 1 120.268 91.893 42.733 1.00 0.00 C ATOM 4 O PHE A 1 120.704 92.890 43.281 1.00 0.00 O ATOM 5 CB PHE A 1 122.137 91.622 41.042 1.00 0.00 C ATOM 6 CG PHE A 1 122.320 93.027 41.537 1.00 0.00 C ATOM 7 CD1 PHE A 1 121.773 94.099 40.821 1.00 0.00 C ATOM 8 CD2 PHE A 1 122.985 93.258 42.746 1.00 0.00 C ATOM 9 CE1 PHE A 1 121.894 95.402 41.319 1.00 0.00 C ATOM 10 CE2 PHE A 1 123.111 94.557 43.237 1.00 0.00 C ATOM 11 CZ PHE A 1 122.565 95.625 42.526 1.00 0.00 C ATOM 0 H1 PHE A 1 120.966 89.320 40.651 1.00 0.00 H new ATOM 0 H2 PHE A 1 119.765 89.377 41.850 1.00 0.00 H new ATOM 0 H3 PHE A 1 119.740 90.492 40.569 1.00 0.00 H new ATOM 0 HA PHE A 1 121.784 90.350 42.753 1.00 0.00 H new ATOM 0 HB2 PHE A 1 123.098 91.111 40.987 1.00 0.00 H new ATOM 0 HB3 PHE A 1 121.720 91.626 40.035 1.00 0.00 H new ATOM 0 HD1 PHE A 1 121.259 93.921 39.888 1.00 0.00 H new ATOM 0 HD2 PHE A 1 123.401 92.429 43.300 1.00 0.00 H new ATOM 0 HE1 PHE A 1 121.471 96.232 40.773 1.00 0.00 H new ATOM 0 HE2 PHE A 1 123.631 94.736 44.167 1.00 0.00 H new ATOM 0 HZ PHE A 1 122.661 96.630 42.909 1.00 0.00 H new ATOM 23 N VAL A 2 118.981 91.627 42.667 1.00 0.00 N ATOM 24 CA VAL A 2 117.933 92.517 43.252 1.00 0.00 C ATOM 25 C VAL A 2 118.248 92.712 44.739 1.00 0.00 C ATOM 26 O VAL A 2 117.811 93.652 45.365 1.00 0.00 O ATOM 27 CB VAL A 2 116.561 91.858 43.105 1.00 0.00 C ATOM 28 CG1 VAL A 2 116.611 90.444 43.688 1.00 0.00 C ATOM 29 CG2 VAL A 2 115.516 92.683 43.861 1.00 0.00 C ATOM 0 H VAL A 2 118.605 90.795 42.212 1.00 0.00 H new ATOM 0 HA VAL A 2 117.923 93.477 42.737 1.00 0.00 H new ATOM 0 HB VAL A 2 116.292 91.808 42.050 1.00 0.00 H new ATOM 0 HG11 VAL A 2 115.634 89.973 43.584 1.00 0.00 H new ATOM 0 HG12 VAL A 2 117.356 89.856 43.153 1.00 0.00 H new ATOM 0 HG13 VAL A 2 116.879 90.495 44.743 1.00 0.00 H new ATOM 0 HG21 VAL A 2 114.537 92.214 43.757 1.00 0.00 H new ATOM 0 HG22 VAL A 2 115.785 92.732 44.916 1.00 0.00 H new ATOM 0 HG23 VAL A 2 115.481 93.691 43.449 1.00 0.00 H new ATOM 39 N ASN A 3 119.029 91.807 45.275 1.00 0.00 N ATOM 40 CA ASN A 3 119.450 91.851 46.710 1.00 0.00 C ATOM 41 C ASN A 3 119.777 90.420 47.131 1.00 0.00 C ATOM 42 O ASN A 3 119.054 89.799 47.885 1.00 0.00 O ATOM 43 CB ASN A 3 118.336 92.406 47.617 1.00 0.00 C ATOM 44 CG ASN A 3 118.503 93.918 47.814 1.00 0.00 C ATOM 45 OD1 ASN A 3 119.585 94.393 48.096 1.00 0.00 O ATOM 46 ND2 ASN A 3 117.466 94.699 47.676 1.00 0.00 N ATOM 0 H ASN A 3 119.405 91.012 44.758 1.00 0.00 H new ATOM 0 HA ASN A 3 120.311 92.511 46.813 1.00 0.00 H new ATOM 0 HB2 ASN A 3 117.362 92.197 47.175 1.00 0.00 H new ATOM 0 HB3 ASN A 3 118.362 91.903 48.584 1.00 0.00 H new ATOM 0 HD21 ASN A 3 117.565 95.706 47.805 1.00 0.00 H new ATOM 0 HD22 ASN A 3 116.557 94.302 47.439 1.00 0.00 H new ATOM 53 N GLN A 4 120.859 89.892 46.644 1.00 0.00 N ATOM 54 CA GLN A 4 121.241 88.504 47.013 1.00 0.00 C ATOM 55 C GLN A 4 122.758 88.381 46.950 1.00 0.00 C ATOM 56 O GLN A 4 123.441 89.271 46.483 1.00 0.00 O ATOM 57 CB GLN A 4 120.603 87.516 46.034 1.00 0.00 C ATOM 58 CG GLN A 4 121.099 87.810 44.616 1.00 0.00 C ATOM 59 CD GLN A 4 120.208 87.091 43.602 1.00 0.00 C ATOM 60 OE1 GLN A 4 120.612 86.113 43.007 1.00 0.00 O ATOM 61 NE2 GLN A 4 119.003 87.540 43.378 1.00 0.00 N ATOM 0 H GLN A 4 121.499 90.362 46.004 1.00 0.00 H new ATOM 0 HA GLN A 4 120.892 88.279 48.021 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.857 86.494 46.315 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.517 87.597 46.075 1.00 0.00 H new ATOM 0 HG2 GLN A 4 121.085 88.884 44.430 1.00 0.00 H new ATOM 0 HG3 GLN A 4 122.132 87.481 44.506 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.664 88.362 43.878 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.401 87.069 42.703 1.00 0.00 H new ATOM 70 N HIS A 5 123.300 87.295 47.416 1.00 0.00 N ATOM 71 CA HIS A 5 124.775 87.140 47.377 1.00 0.00 C ATOM 72 C HIS A 5 125.249 87.180 45.920 1.00 0.00 C ATOM 73 O HIS A 5 124.650 86.581 45.048 1.00 0.00 O ATOM 74 CB HIS A 5 125.171 85.808 48.017 1.00 0.00 C ATOM 75 CG HIS A 5 124.229 84.730 47.553 1.00 0.00 C ATOM 76 ND1 HIS A 5 124.599 83.779 46.612 1.00 0.00 N ATOM 77 CD2 HIS A 5 122.929 84.440 47.888 1.00 0.00 C ATOM 78 CE1 HIS A 5 123.542 82.969 46.414 1.00 0.00 C ATOM 79 NE2 HIS A 5 122.502 83.330 47.168 1.00 0.00 N ATOM 0 H HIS A 5 122.788 86.511 47.821 1.00 0.00 H new ATOM 0 HA HIS A 5 125.243 87.953 47.933 1.00 0.00 H new ATOM 0 HB2 HIS A 5 126.195 85.552 47.746 1.00 0.00 H new ATOM 0 HB3 HIS A 5 125.140 85.891 49.103 1.00 0.00 H new ATOM 0 HD2 HIS A 5 122.331 84.989 48.600 1.00 0.00 H new ATOM 0 HE1 HIS A 5 123.537 82.132 45.731 1.00 0.00 H new ATOM 0 HE2 HIS A 5 121.585 82.885 47.208 1.00 0.00 H new ATOM 88 N LEU A 6 126.318 87.887 45.651 1.00 0.00 N ATOM 89 CA LEU A 6 126.845 87.981 44.250 1.00 0.00 C ATOM 90 C LEU A 6 128.369 87.770 44.276 1.00 0.00 C ATOM 91 O LEU A 6 129.110 88.607 44.753 1.00 0.00 O ATOM 92 CB LEU A 6 126.501 89.381 43.675 1.00 0.00 C ATOM 93 CG LEU A 6 125.571 89.273 42.449 1.00 0.00 C ATOM 94 CD1 LEU A 6 124.280 88.501 42.813 1.00 0.00 C ATOM 95 CD2 LEU A 6 125.218 90.692 41.939 1.00 0.00 C ATOM 0 H LEU A 6 126.854 88.408 46.345 1.00 0.00 H new ATOM 0 HA LEU A 6 126.391 87.217 43.619 1.00 0.00 H new ATOM 0 HB2 LEU A 6 126.021 89.985 44.445 1.00 0.00 H new ATOM 0 HB3 LEU A 6 127.419 89.896 43.393 1.00 0.00 H new ATOM 0 HG LEU A 6 126.087 88.725 41.661 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.636 88.435 41.936 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.539 87.497 43.150 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.754 89.027 43.610 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.561 90.614 41.073 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.713 91.247 42.729 1.00 0.00 H new ATOM 0 HD23 LEU A 6 126.132 91.215 41.656 1.00 0.00 H new ATOM 107 N CYS A 7 128.832 86.656 43.762 1.00 0.00 N ATOM 108 CA CYS A 7 130.304 86.367 43.740 1.00 0.00 C ATOM 109 C CYS A 7 130.742 86.128 42.292 1.00 0.00 C ATOM 110 O CYS A 7 129.957 86.245 41.374 1.00 0.00 O ATOM 111 CB CYS A 7 130.589 85.113 44.573 1.00 0.00 C ATOM 112 SG CYS A 7 129.667 85.200 46.128 1.00 0.00 S ATOM 0 H CYS A 7 128.248 85.927 43.352 1.00 0.00 H new ATOM 0 HA CYS A 7 130.853 87.211 44.158 1.00 0.00 H new ATOM 0 HB2 CYS A 7 130.302 84.221 44.017 1.00 0.00 H new ATOM 0 HB3 CYS A 7 131.657 85.032 44.775 1.00 0.00 H new ATOM 117 N GLY A 8 131.989 85.798 42.077 1.00 0.00 N ATOM 118 CA GLY A 8 132.467 85.559 40.682 1.00 0.00 C ATOM 119 C GLY A 8 131.986 86.698 39.780 1.00 0.00 C ATOM 120 O GLY A 8 131.818 87.818 40.223 1.00 0.00 O ATOM 0 H GLY A 8 132.695 85.684 42.804 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.555 85.500 40.663 1.00 0.00 H new ATOM 0 HA3 GLY A 8 132.090 84.605 40.315 1.00 0.00 H new ATOM 124 N SER A 9 131.750 86.431 38.523 1.00 0.00 N ATOM 125 CA SER A 9 131.270 87.514 37.619 1.00 0.00 C ATOM 126 C SER A 9 129.769 87.725 37.835 1.00 0.00 C ATOM 127 O SER A 9 129.212 88.717 37.413 1.00 0.00 O ATOM 128 CB SER A 9 131.551 87.153 36.161 1.00 0.00 C ATOM 129 OG SER A 9 131.295 85.770 35.955 1.00 0.00 O ATOM 0 H SER A 9 131.868 85.517 38.086 1.00 0.00 H new ATOM 0 HA SER A 9 131.801 88.438 37.850 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.924 87.752 35.500 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.587 87.383 35.912 1.00 0.00 H new ATOM 0 HG SER A 9 131.474 85.540 35.019 1.00 0.00 H new ATOM 135 N HIS A 10 129.097 86.830 38.521 1.00 0.00 N ATOM 136 CA HIS A 10 127.642 87.061 38.771 1.00 0.00 C ATOM 137 C HIS A 10 127.528 88.453 39.373 1.00 0.00 C ATOM 138 O HIS A 10 126.528 89.132 39.254 1.00 0.00 O ATOM 139 CB HIS A 10 127.092 86.019 39.751 1.00 0.00 C ATOM 140 CG HIS A 10 126.890 84.712 39.035 1.00 0.00 C ATOM 141 ND1 HIS A 10 125.703 84.400 38.384 1.00 0.00 N ATOM 142 CD2 HIS A 10 127.712 83.625 38.859 1.00 0.00 C ATOM 143 CE1 HIS A 10 125.843 83.172 37.851 1.00 0.00 C ATOM 144 NE2 HIS A 10 127.046 82.659 38.112 1.00 0.00 N ATOM 0 H HIS A 10 129.483 85.970 38.910 1.00 0.00 H new ATOM 0 HA HIS A 10 127.068 86.975 37.848 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.784 85.887 40.583 1.00 0.00 H new ATOM 0 HB3 HIS A 10 126.148 86.364 40.173 1.00 0.00 H new ATOM 0 HD2 HIS A 10 128.718 83.535 39.241 1.00 0.00 H new ATOM 0 HE1 HIS A 10 125.077 82.665 37.283 1.00 0.00 H new ATOM 0 HE2 HIS A 10 127.403 81.748 37.824 1.00 0.00 H new ATOM 153 N LEU A 11 128.601 88.894 39.972 1.00 0.00 N ATOM 154 CA LEU A 11 128.657 90.239 40.539 1.00 0.00 C ATOM 155 C LEU A 11 128.941 91.181 39.376 1.00 0.00 C ATOM 156 O LEU A 11 128.232 92.139 39.140 1.00 0.00 O ATOM 157 CB LEU A 11 129.801 90.273 41.546 1.00 0.00 C ATOM 158 CG LEU A 11 130.154 91.709 41.900 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.883 92.478 42.279 1.00 0.00 C ATOM 160 CD2 LEU A 11 131.168 91.721 43.062 1.00 0.00 C ATOM 0 H LEU A 11 129.456 88.350 40.087 1.00 0.00 H new ATOM 0 HA LEU A 11 127.734 90.527 41.043 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.517 89.729 42.447 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.674 89.769 41.131 1.00 0.00 H new ATOM 0 HG LEU A 11 130.607 92.198 41.038 1.00 0.00 H new ATOM 0 HD11 LEU A 11 129.142 93.506 42.532 1.00 0.00 H new ATOM 0 HD12 LEU A 11 128.191 92.474 41.437 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.412 92.001 43.138 1.00 0.00 H new ATOM 0 HD21 LEU A 11 131.420 92.751 43.314 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.731 91.231 43.932 1.00 0.00 H new ATOM 0 HD23 LEU A 11 132.071 91.190 42.762 1.00 0.00 H new ATOM 172 N VAL A 12 129.974 90.883 38.628 1.00 0.00 N ATOM 173 CA VAL A 12 130.324 91.721 37.449 1.00 0.00 C ATOM 174 C VAL A 12 129.070 92.046 36.682 1.00 0.00 C ATOM 175 O VAL A 12 128.855 93.163 36.257 1.00 0.00 O ATOM 176 CB VAL A 12 131.221 90.931 36.482 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.230 91.627 35.102 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.633 90.837 37.043 1.00 0.00 C ATOM 0 H VAL A 12 130.592 90.088 38.788 1.00 0.00 H new ATOM 0 HA VAL A 12 130.829 92.617 37.809 1.00 0.00 H new ATOM 0 HB VAL A 12 130.829 89.921 36.365 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.866 91.067 34.416 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.215 91.665 34.707 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.616 92.641 35.208 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.262 90.276 36.352 1.00 0.00 H new ATOM 0 HG22 VAL A 12 133.041 91.840 37.173 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.609 90.328 38.007 1.00 0.00 H new ATOM 188 N GLU A 13 128.277 91.055 36.435 1.00 0.00 N ATOM 189 CA GLU A 13 127.084 91.281 35.629 1.00 0.00 C ATOM 190 C GLU A 13 126.374 92.518 36.118 1.00 0.00 C ATOM 191 O GLU A 13 126.213 93.474 35.399 1.00 0.00 O ATOM 192 CB GLU A 13 126.151 90.098 35.741 1.00 0.00 C ATOM 193 CG GLU A 13 125.202 90.105 34.544 1.00 0.00 C ATOM 194 CD GLU A 13 124.061 89.113 34.781 1.00 0.00 C ATOM 195 OE1 GLU A 13 122.983 89.345 34.262 1.00 0.00 O ATOM 196 OE2 GLU A 13 124.287 88.138 35.479 1.00 0.00 O1- ATOM 0 H GLU A 13 128.412 90.098 36.762 1.00 0.00 H new ATOM 0 HA GLU A 13 127.379 91.410 34.588 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.721 89.169 35.766 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.586 90.150 36.671 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.800 91.107 34.393 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.744 89.839 33.637 1.00 0.00 H new ATOM 203 N ALA A 14 125.981 92.504 37.357 1.00 0.00 N ATOM 204 CA ALA A 14 125.289 93.675 37.932 1.00 0.00 C ATOM 205 C ALA A 14 126.037 94.923 37.520 1.00 0.00 C ATOM 206 O ALA A 14 125.518 95.749 36.803 1.00 0.00 O ATOM 207 CB ALA A 14 125.312 93.556 39.452 1.00 0.00 C ATOM 0 H ALA A 14 126.113 91.722 37.998 1.00 0.00 H new ATOM 0 HA ALA A 14 124.259 93.723 37.579 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.804 94.414 39.892 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.803 92.640 39.753 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.345 93.528 39.799 1.00 0.00 H new ATOM 213 N LEU A 15 127.267 95.035 37.922 1.00 0.00 N ATOM 214 CA LEU A 15 128.073 96.213 37.523 1.00 0.00 C ATOM 215 C LEU A 15 127.881 96.458 36.028 1.00 0.00 C ATOM 216 O LEU A 15 127.673 97.570 35.594 1.00 0.00 O ATOM 217 CB LEU A 15 129.550 95.921 37.805 1.00 0.00 C ATOM 218 CG LEU A 15 129.798 95.889 39.322 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.998 94.989 39.628 1.00 0.00 C ATOM 220 CD2 LEU A 15 130.079 97.310 39.839 1.00 0.00 C ATOM 0 H LEU A 15 127.750 94.358 38.512 1.00 0.00 H new ATOM 0 HA LEU A 15 127.759 97.093 38.084 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.832 94.966 37.362 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.175 96.684 37.342 1.00 0.00 H new ATOM 0 HG LEU A 15 128.911 95.496 39.818 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.172 94.968 40.704 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.795 93.979 39.273 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.883 95.379 39.125 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.254 97.278 40.914 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.961 97.711 39.340 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.222 97.950 39.629 1.00 0.00 H new ATOM 232 N TYR A 16 127.915 95.417 35.237 1.00 0.00 N ATOM 233 CA TYR A 16 127.698 95.604 33.782 1.00 0.00 C ATOM 234 C TYR A 16 126.327 96.272 33.617 1.00 0.00 C ATOM 235 O TYR A 16 126.183 97.266 32.934 1.00 0.00 O ATOM 236 CB TYR A 16 127.786 94.218 33.062 1.00 0.00 C ATOM 237 CG TYR A 16 126.637 93.938 32.101 1.00 0.00 C ATOM 238 CD1 TYR A 16 125.993 92.698 32.105 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.249 94.901 31.190 1.00 0.00 C ATOM 240 CE1 TYR A 16 124.964 92.431 31.195 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.220 94.650 30.283 1.00 0.00 C ATOM 242 CZ TYR A 16 124.574 93.412 30.282 1.00 0.00 C ATOM 243 OH TYR A 16 123.560 93.158 29.381 1.00 0.00 O ATOM 0 H TYR A 16 128.082 94.457 35.537 1.00 0.00 H new ATOM 0 HA TYR A 16 128.459 96.239 33.327 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.726 94.166 32.512 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.814 93.431 33.816 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.291 91.941 32.815 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.748 95.859 31.180 1.00 0.00 H new ATOM 0 HE1 TYR A 16 124.473 91.469 31.199 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.922 95.414 29.580 1.00 0.00 H new ATOM 0 HH TYR A 16 123.415 93.948 28.820 1.00 0.00 H new ATOM 253 N LEU A 17 125.329 95.726 34.239 1.00 0.00 N ATOM 254 CA LEU A 17 123.962 96.306 34.122 1.00 0.00 C ATOM 255 C LEU A 17 123.974 97.785 34.459 1.00 0.00 C ATOM 256 O LEU A 17 123.622 98.633 33.664 1.00 0.00 O ATOM 257 CB LEU A 17 123.032 95.628 35.123 1.00 0.00 C ATOM 258 CG LEU A 17 123.179 94.126 35.017 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.183 93.429 35.952 1.00 0.00 C ATOM 260 CD2 LEU A 17 122.956 93.659 33.587 1.00 0.00 C ATOM 0 H LEU A 17 125.397 94.897 34.829 1.00 0.00 H new ATOM 0 HA LEU A 17 123.624 96.155 33.097 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.269 95.956 36.135 1.00 0.00 H new ATOM 0 HB3 LEU A 17 121.999 95.917 34.928 1.00 0.00 H new ATOM 0 HG LEU A 17 124.194 93.863 35.313 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.299 92.349 35.867 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.375 93.734 36.981 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.167 93.708 35.674 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.067 92.576 33.536 1.00 0.00 H new ATOM 0 HD22 LEU A 17 121.952 93.936 33.266 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.689 94.130 32.932 1.00 0.00 H new ATOM 272 N VAL A 18 124.325 98.082 35.670 1.00 0.00 N ATOM 273 CA VAL A 18 124.313 99.478 36.135 1.00 0.00 C ATOM 274 C VAL A 18 125.356 100.311 35.364 1.00 0.00 C ATOM 275 O VAL A 18 125.099 101.433 34.981 1.00 0.00 O ATOM 276 CB VAL A 18 124.537 99.495 37.684 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.644 98.069 38.245 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.796 100.283 38.061 1.00 0.00 C ATOM 0 H VAL A 18 124.625 97.400 36.367 1.00 0.00 H new ATOM 0 HA VAL A 18 123.347 99.942 35.933 1.00 0.00 H new ATOM 0 HB VAL A 18 123.669 99.988 38.123 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.799 98.113 39.323 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.724 97.525 38.033 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.485 97.556 37.778 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.920 100.274 39.144 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.666 99.824 37.592 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.698 101.312 37.716 1.00 0.00 H new ATOM 288 N CYS A 19 126.526 99.784 35.145 1.00 0.00 N ATOM 289 CA CYS A 19 127.566 100.570 34.415 1.00 0.00 C ATOM 290 C CYS A 19 127.240 100.614 32.921 1.00 0.00 C ATOM 291 O CYS A 19 127.687 101.489 32.207 1.00 0.00 O ATOM 292 CB CYS A 19 128.933 99.910 34.603 1.00 0.00 C ATOM 293 SG CYS A 19 130.225 100.895 33.795 1.00 0.00 S ATOM 0 H CYS A 19 126.810 98.849 35.436 1.00 0.00 H new ATOM 0 HA CYS A 19 127.583 101.584 34.814 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.153 99.811 35.666 1.00 0.00 H new ATOM 0 HB3 CYS A 19 128.919 98.903 34.185 1.00 0.00 H new ATOM 298 N GLY A 20 126.472 99.679 32.437 1.00 0.00 N ATOM 299 CA GLY A 20 126.135 99.675 30.987 1.00 0.00 C ATOM 300 C GLY A 20 127.389 99.331 30.179 1.00 0.00 C ATOM 301 O GLY A 20 128.270 98.639 30.650 1.00 0.00 O ATOM 0 H GLY A 20 126.064 98.919 32.981 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.348 98.948 30.786 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.752 100.651 30.688 1.00 0.00 H new ATOM 305 N GLU A 21 127.479 99.806 28.966 1.00 0.00 N ATOM 306 CA GLU A 21 128.678 99.503 28.129 1.00 0.00 C ATOM 307 C GLU A 21 129.809 100.479 28.474 1.00 0.00 C ATOM 308 O GLU A 21 130.882 100.427 27.904 1.00 0.00 O ATOM 309 CB GLU A 21 128.313 99.644 26.649 1.00 0.00 C ATOM 310 CG GLU A 21 126.941 99.014 26.401 1.00 0.00 C ATOM 311 CD GLU A 21 126.671 98.951 24.897 1.00 0.00 C ATOM 312 OE1 GLU A 21 126.276 97.896 24.430 1.00 0.00 O ATOM 313 OE2 GLU A 21 126.865 99.959 24.238 1.00 0.00 O1- ATOM 0 H GLU A 21 126.774 100.391 28.517 1.00 0.00 H new ATOM 0 HA GLU A 21 129.010 98.484 28.327 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.299 100.696 26.365 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.066 99.157 26.029 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.907 98.012 26.829 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.166 99.599 26.896 1.00 0.00 H new ATOM 320 N ARG A 22 129.578 101.370 29.399 1.00 0.00 N ATOM 321 CA ARG A 22 130.638 102.351 29.775 1.00 0.00 C ATOM 322 C ARG A 22 131.854 101.615 30.345 1.00 0.00 C ATOM 323 O ARG A 22 132.824 102.225 30.747 1.00 0.00 O ATOM 324 CB ARG A 22 130.091 103.313 30.833 1.00 0.00 C ATOM 325 CG ARG A 22 128.995 104.186 30.217 1.00 0.00 C ATOM 326 CD ARG A 22 128.333 105.029 31.310 1.00 0.00 C ATOM 327 NE ARG A 22 127.579 106.151 30.683 1.00 0.00 N ATOM 328 CZ ARG A 22 127.064 107.090 31.430 1.00 0.00 C ATOM 329 NH1 ARG A 22 126.410 108.076 30.881 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 127.203 107.041 32.726 1.00 0.00 N ATOM 0 H ARG A 22 128.701 101.462 29.912 1.00 0.00 H new ATOM 0 HA ARG A 22 130.937 102.908 28.887 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.691 102.751 31.677 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.895 103.940 31.219 1.00 0.00 H new ATOM 0 HG2 ARG A 22 129.421 104.835 29.451 1.00 0.00 H new ATOM 0 HG3 ARG A 22 128.250 103.559 29.726 1.00 0.00 H new ATOM 0 HD2 ARG A 22 127.659 104.411 31.903 1.00 0.00 H new ATOM 0 HD3 ARG A 22 129.089 105.420 31.991 1.00 0.00 H new ATOM 0 HE ARG A 22 127.465 106.186 29.670 1.00 0.00 H new ATOM 0 HH11 ARG A 22 126.301 108.114 29.868 1.00 0.00 H new ATOM 0 HH12 ARG A 22 126.008 108.809 31.465 1.00 0.00 H new ATOM 0 HH21 ARG A 22 127.714 106.270 33.155 1.00 0.00 H new ATOM 0 HH22 ARG A 22 126.801 107.774 33.310 1.00 0.00 H new ATOM 344 N GLY A 23 131.811 100.312 30.394 1.00 0.00 N ATOM 345 CA GLY A 23 132.969 99.554 30.951 1.00 0.00 C ATOM 346 C GLY A 23 133.059 99.818 32.451 1.00 0.00 C ATOM 347 O GLY A 23 133.184 100.945 32.886 1.00 0.00 O ATOM 0 H GLY A 23 131.029 99.741 30.074 1.00 0.00 H new ATOM 0 HA2 GLY A 23 132.846 98.487 30.763 1.00 0.00 H new ATOM 0 HA3 GLY A 23 133.892 99.861 30.459 1.00 0.00 H new ATOM 351 N PHE A 24 132.980 98.783 33.245 1.00 0.00 N ATOM 352 CA PHE A 24 133.039 98.948 34.727 1.00 0.00 C ATOM 353 C PHE A 24 134.407 98.491 35.240 1.00 0.00 C ATOM 354 O PHE A 24 135.194 97.917 34.512 1.00 0.00 O ATOM 355 CB PHE A 24 131.940 98.087 35.339 1.00 0.00 C ATOM 356 CG PHE A 24 131.974 96.733 34.694 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.717 95.728 35.279 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.272 96.487 33.512 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.774 94.467 34.687 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.326 95.216 32.920 1.00 0.00 C ATOM 361 CZ PHE A 24 132.079 94.212 33.509 1.00 0.00 C ATOM 0 H PHE A 24 132.876 97.820 32.926 1.00 0.00 H new ATOM 0 HA PHE A 24 132.896 99.993 35.002 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.086 97.997 36.415 1.00 0.00 H new ATOM 0 HB3 PHE A 24 130.966 98.553 35.188 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.255 95.918 36.196 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.689 97.273 33.055 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.361 93.684 35.145 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.782 95.020 32.008 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.126 93.234 33.054 1.00 0.00 H new ATOM 371 N PHE A 25 134.699 98.749 36.487 1.00 0.00 N ATOM 372 CA PHE A 25 136.022 98.342 37.059 1.00 0.00 C ATOM 373 C PHE A 25 135.879 97.031 37.837 1.00 0.00 C ATOM 374 O PHE A 25 135.090 96.927 38.755 1.00 0.00 O ATOM 375 CB PHE A 25 136.519 99.435 38.008 1.00 0.00 C ATOM 376 CG PHE A 25 137.912 99.113 38.462 1.00 0.00 C ATOM 377 CD1 PHE A 25 138.157 98.807 39.802 1.00 0.00 C ATOM 378 CD2 PHE A 25 138.962 99.125 37.542 1.00 0.00 C ATOM 379 CE1 PHE A 25 139.450 98.517 40.222 1.00 0.00 C ATOM 380 CE2 PHE A 25 140.259 98.831 37.962 1.00 0.00 C ATOM 381 CZ PHE A 25 140.507 98.526 39.305 1.00 0.00 C ATOM 0 H PHE A 25 134.077 99.226 37.139 1.00 0.00 H new ATOM 0 HA PHE A 25 136.733 98.201 36.245 1.00 0.00 H new ATOM 0 HB2 PHE A 25 136.504 100.402 37.505 1.00 0.00 H new ATOM 0 HB3 PHE A 25 135.854 99.513 38.868 1.00 0.00 H new ATOM 0 HD1 PHE A 25 137.343 98.796 40.511 1.00 0.00 H new ATOM 0 HD2 PHE A 25 138.770 99.362 36.506 1.00 0.00 H new ATOM 0 HE1 PHE A 25 139.639 98.284 41.259 1.00 0.00 H new ATOM 0 HE2 PHE A 25 141.072 98.839 37.251 1.00 0.00 H new ATOM 0 HZ PHE A 25 141.511 98.298 39.633 1.00 0.00 H new ATOM 391 N TYR A 26 136.645 96.035 37.479 1.00 0.00 N ATOM 392 CA TYR A 26 136.568 94.729 38.196 1.00 0.00 C ATOM 393 C TYR A 26 137.693 93.817 37.700 1.00 0.00 C ATOM 394 O TYR A 26 137.514 93.034 36.789 1.00 0.00 O ATOM 395 CB TYR A 26 135.218 94.066 37.919 1.00 0.00 C ATOM 396 CG TYR A 26 135.026 92.900 38.856 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.612 93.125 40.173 1.00 0.00 C ATOM 398 CD2 TYR A 26 135.261 91.593 38.410 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.434 92.047 41.044 1.00 0.00 C ATOM 400 CE2 TYR A 26 135.082 90.513 39.283 1.00 0.00 C ATOM 401 CZ TYR A 26 134.667 90.740 40.601 1.00 0.00 C ATOM 402 OH TYR A 26 134.490 89.677 41.461 1.00 0.00 O ATOM 0 H TYR A 26 137.323 96.070 36.718 1.00 0.00 H new ATOM 0 HA TYR A 26 136.673 94.896 39.268 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.413 94.788 38.051 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.174 93.725 36.884 1.00 0.00 H new ATOM 0 HD1 TYR A 26 134.430 94.132 40.517 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.580 91.418 37.393 1.00 0.00 H new ATOM 0 HE1 TYR A 26 134.116 92.223 42.061 1.00 0.00 H new ATOM 0 HE2 TYR A 26 135.264 89.505 38.940 1.00 0.00 H new ATOM 0 HH TYR A 26 134.693 88.840 40.993 1.00 0.00 H new ATOM 412 N THR A 27 138.853 93.917 38.290 1.00 0.00 N ATOM 413 CA THR A 27 139.992 93.059 37.848 1.00 0.00 C ATOM 414 C THR A 27 139.553 91.590 37.857 1.00 0.00 C ATOM 415 O THR A 27 138.406 91.267 38.093 1.00 0.00 O ATOM 416 CB THR A 27 141.196 93.269 38.802 1.00 0.00 C ATOM 417 OG1 THR A 27 140.763 93.981 39.951 1.00 0.00 O ATOM 418 CG2 THR A 27 142.306 94.069 38.103 1.00 0.00 C ATOM 0 H THR A 27 139.062 94.555 39.058 1.00 0.00 H new ATOM 0 HA THR A 27 140.293 93.332 36.837 1.00 0.00 H new ATOM 0 HB THR A 27 141.591 92.294 39.089 1.00 0.00 H new ATOM 0 HG1 THR A 27 141.043 93.501 40.758 1.00 0.00 H new ATOM 0 HG21 THR A 27 143.142 94.206 38.788 1.00 0.00 H new ATOM 0 HG22 THR A 27 142.645 93.526 37.221 1.00 0.00 H new ATOM 0 HG23 THR A 27 141.919 95.043 37.803 1.00 0.00 H new ATOM 426 N ASP A 28 140.473 90.702 37.602 1.00 0.00 N ATOM 427 CA ASP A 28 140.153 89.250 37.586 1.00 0.00 C ATOM 428 C ASP A 28 140.204 88.721 39.032 1.00 0.00 C ATOM 429 O ASP A 28 140.711 89.379 39.917 1.00 0.00 O ATOM 430 CB ASP A 28 141.209 88.544 36.697 1.00 0.00 C ATOM 431 CG ASP A 28 140.566 87.975 35.425 1.00 0.00 C ATOM 432 OD1 ASP A 28 140.948 86.887 35.027 1.00 0.00 O ATOM 433 OD2 ASP A 28 139.701 88.637 34.875 1.00 0.00 O1- ATOM 0 H ASP A 28 141.448 90.926 37.401 1.00 0.00 H new ATOM 0 HA ASP A 28 139.158 89.060 37.184 1.00 0.00 H new ATOM 0 HB2 ASP A 28 141.993 89.251 36.427 1.00 0.00 H new ATOM 0 HB3 ASP A 28 141.684 87.740 37.259 1.00 0.00 H new ATOM 438 N PRO A 29 139.895 87.460 39.256 1.00 0.00 N ATOM 439 CA PRO A 29 139.978 86.785 40.621 1.00 0.00 C ATOM 440 C PRO A 29 141.358 86.752 41.285 1.00 0.00 C ATOM 441 O PRO A 29 141.491 86.305 42.405 1.00 0.00 O ATOM 442 CB PRO A 29 139.585 85.343 40.318 1.00 0.00 C ATOM 443 CG PRO A 29 139.931 85.180 38.883 1.00 0.00 C ATOM 444 CD PRO A 29 139.480 86.487 38.243 1.00 0.00 C ATOM 0 HA PRO A 29 139.354 87.341 41.321 1.00 0.00 H new ATOM 0 HB2 PRO A 29 140.132 84.638 40.945 1.00 0.00 H new ATOM 0 HB3 PRO A 29 138.524 85.171 40.496 1.00 0.00 H new ATOM 0 HG2 PRO A 29 141.000 85.017 38.746 1.00 0.00 H new ATOM 0 HG3 PRO A 29 139.419 84.323 38.444 1.00 0.00 H new ATOM 0 HD2 PRO A 29 139.963 86.662 37.282 1.00 0.00 H new ATOM 0 HD3 PRO A 29 138.404 86.509 38.068 1.00 0.00 H new ATOM 452 N THR A 30 142.382 87.173 40.635 1.00 0.00 N ATOM 453 CA THR A 30 143.715 87.095 41.290 1.00 0.00 C ATOM 454 C THR A 30 144.362 88.457 41.385 1.00 0.00 C ATOM 455 O THR A 30 143.769 89.482 41.131 1.00 0.00 O ATOM 456 CB THR A 30 144.609 86.233 40.437 1.00 0.00 C ATOM 457 OG1 THR A 30 145.846 86.911 40.207 1.00 0.00 O ATOM 458 CG2 THR A 30 143.877 85.999 39.125 1.00 0.00 C ATOM 0 H THR A 30 142.369 87.564 39.693 1.00 0.00 H new ATOM 0 HA THR A 30 143.582 86.689 42.293 1.00 0.00 H new ATOM 0 HB THR A 30 144.832 85.283 40.924 1.00 0.00 H new ATOM 0 HG1 THR A 30 146.429 86.350 39.654 1.00 0.00 H new ATOM 0 HG21 THR A 30 144.490 85.377 38.473 1.00 0.00 H new ATOM 0 HG22 THR A 30 142.930 85.497 39.321 1.00 0.00 H new ATOM 0 HG23 THR A 30 143.686 86.956 38.639 1.00 0.00 H new ATOM 466 N GLU A 31 145.612 88.452 41.729 1.00 0.00 N ATOM 467 CA GLU A 31 146.365 89.717 41.846 1.00 0.00 C ATOM 468 C GLU A 31 145.405 90.800 42.328 1.00 0.00 C ATOM 469 O GLU A 31 144.283 90.902 41.881 1.00 0.00 O ATOM 470 CB GLU A 31 147.012 90.094 40.500 1.00 0.00 C ATOM 471 CG GLU A 31 148.391 90.730 40.751 1.00 0.00 C ATOM 472 CD GLU A 31 148.414 92.161 40.215 1.00 0.00 C ATOM 473 OE1 GLU A 31 149.185 92.943 40.739 1.00 0.00 O ATOM 474 OE2 GLU A 31 147.662 92.453 39.297 1.00 0.00 O1- ATOM 0 H GLU A 31 146.150 87.611 41.937 1.00 0.00 H new ATOM 0 HA GLU A 31 147.177 89.606 42.565 1.00 0.00 H new ATOM 0 HB2 GLU A 31 147.117 89.208 39.875 1.00 0.00 H new ATOM 0 HB3 GLU A 31 146.372 90.791 39.960 1.00 0.00 H new ATOM 0 HG2 GLU A 31 148.612 90.730 41.818 1.00 0.00 H new ATOM 0 HG3 GLU A 31 149.167 90.139 40.265 1.00 0.00 H new ATOM 481 N GLU A 32 145.827 91.578 43.279 1.00 0.00 N ATOM 482 CA GLU A 32 144.938 92.622 43.854 1.00 0.00 C ATOM 483 C GLU A 32 143.481 92.411 43.422 1.00 0.00 C ATOM 484 O GLU A 32 142.833 93.337 43.011 1.00 0.00 O ATOM 485 CB GLU A 32 145.410 94.020 43.431 1.00 0.00 C ATOM 486 CG GLU A 32 146.812 94.278 43.999 1.00 0.00 C ATOM 487 CD GLU A 32 147.881 94.033 42.913 1.00 0.00 C ATOM 488 OE1 GLU A 32 147.601 93.290 41.991 1.00 0.00 O ATOM 489 OE2 GLU A 32 148.968 94.586 43.030 1.00 0.00 O1- ATOM 0 H GLU A 32 146.760 91.536 43.688 1.00 0.00 H new ATOM 0 HA GLU A 32 144.989 92.540 44.940 1.00 0.00 H new ATOM 0 HB2 GLU A 32 145.426 94.097 42.344 1.00 0.00 H new ATOM 0 HB3 GLU A 32 144.714 94.776 43.794 1.00 0.00 H new ATOM 0 HG2 GLU A 32 146.882 95.303 44.363 1.00 0.00 H new ATOM 0 HG3 GLU A 32 146.993 93.624 44.852 1.00 0.00 H new ATOM 496 N GLY A 33 142.945 91.216 43.542 1.00 0.00 N ATOM 497 CA GLY A 33 141.506 90.993 43.156 1.00 0.00 C ATOM 498 C GLY A 33 140.720 92.321 43.273 1.00 0.00 C ATOM 499 O GLY A 33 141.211 93.362 42.907 1.00 0.00 O ATOM 0 H GLY A 33 143.435 90.391 43.887 1.00 0.00 H new ATOM 0 HA2 GLY A 33 141.448 90.614 42.136 1.00 0.00 H new ATOM 0 HA3 GLY A 33 141.059 90.237 43.802 1.00 0.00 H new ATOM 503 N PRO A 34 139.506 92.291 43.777 1.00 0.00 N ATOM 504 CA PRO A 34 138.661 93.531 43.943 1.00 0.00 C ATOM 505 C PRO A 34 139.308 94.559 44.909 1.00 0.00 C ATOM 506 O PRO A 34 139.998 94.191 45.835 1.00 0.00 O ATOM 507 CB PRO A 34 137.352 92.980 44.534 1.00 0.00 C ATOM 508 CG PRO A 34 137.341 91.535 44.163 1.00 0.00 C ATOM 509 CD PRO A 34 138.789 91.095 44.236 1.00 0.00 C ATOM 0 HA PRO A 34 138.530 94.072 43.006 1.00 0.00 H new ATOM 0 HB2 PRO A 34 137.321 93.110 45.616 1.00 0.00 H new ATOM 0 HB3 PRO A 34 136.485 93.499 44.126 1.00 0.00 H new ATOM 0 HG2 PRO A 34 136.719 90.958 44.847 1.00 0.00 H new ATOM 0 HG3 PRO A 34 136.935 91.389 43.162 1.00 0.00 H new ATOM 0 HD2 PRO A 34 139.077 90.812 45.249 1.00 0.00 H new ATOM 0 HD3 PRO A 34 138.985 90.234 43.597 1.00 0.00 H new ATOM 517 N ARG A 35 139.111 95.842 44.719 1.00 0.00 N ATOM 518 CA ARG A 35 139.754 96.796 45.666 1.00 0.00 C ATOM 519 C ARG A 35 139.320 96.431 47.086 1.00 0.00 C ATOM 520 O ARG A 35 139.594 97.147 48.017 1.00 0.00 O ATOM 521 CB ARG A 35 139.343 98.252 45.369 1.00 0.00 C ATOM 522 CG ARG A 35 138.546 98.329 44.067 1.00 0.00 C ATOM 523 CD ARG A 35 138.347 99.797 43.658 1.00 0.00 C ATOM 524 NE ARG A 35 138.428 100.688 44.857 1.00 0.00 N ATOM 525 CZ ARG A 35 137.541 101.631 45.037 1.00 0.00 C ATOM 526 NH1 ARG A 35 137.664 102.467 46.032 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 136.529 101.729 44.226 1.00 0.00 N ATOM 0 H ARG A 35 138.551 96.256 43.974 1.00 0.00 H new ATOM 0 HA ARG A 35 140.836 96.724 45.555 1.00 0.00 H new ATOM 0 HB2 ARG A 35 138.744 98.642 46.192 1.00 0.00 H new ATOM 0 HB3 ARG A 35 140.232 98.879 45.296 1.00 0.00 H new ATOM 0 HG2 ARG A 35 139.071 97.791 43.278 1.00 0.00 H new ATOM 0 HG3 ARG A 35 137.578 97.844 44.194 1.00 0.00 H new ATOM 0 HD2 ARG A 35 139.107 100.085 42.931 1.00 0.00 H new ATOM 0 HD3 ARG A 35 137.379 99.918 43.172 1.00 0.00 H new ATOM 0 HE ARG A 35 139.178 100.559 45.536 1.00 0.00 H new ATOM 0 HH11 ARG A 35 138.454 102.386 46.672 1.00 0.00 H new ATOM 0 HH12 ARG A 35 136.970 103.202 46.170 1.00 0.00 H new ATOM 0 HH21 ARG A 35 136.430 101.071 43.453 1.00 0.00 H new ATOM 0 HH22 ARG A 35 135.835 102.464 44.363 1.00 0.00 H new ATOM 541 N ARG A 36 138.635 95.333 47.267 1.00 0.00 N ATOM 542 CA ARG A 36 138.200 94.968 48.643 1.00 0.00 C ATOM 543 C ARG A 36 137.012 95.835 49.074 1.00 0.00 C ATOM 544 O ARG A 36 137.229 96.884 49.672 1.00 0.00 O ATOM 545 CB ARG A 36 139.344 95.247 49.655 1.00 0.00 C ATOM 546 CG ARG A 36 140.373 94.099 49.750 1.00 0.00 C ATOM 547 CD ARG A 36 140.104 92.967 48.746 1.00 0.00 C ATOM 548 NE ARG A 36 139.775 91.702 49.483 1.00 0.00 N ATOM 549 CZ ARG A 36 140.451 90.587 49.258 1.00 0.00 C ATOM 550 NH1 ARG A 36 140.053 89.463 49.814 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 141.537 90.602 48.510 1.00 0.00 N ATOM 0 H ARG A 36 138.362 94.682 46.531 1.00 0.00 H new ATOM 0 HA ARG A 36 137.929 93.912 48.634 1.00 0.00 H new ATOM 0 HB2 ARG A 36 139.859 96.163 49.366 1.00 0.00 H new ATOM 0 HB3 ARG A 36 138.913 95.421 50.641 1.00 0.00 H new ATOM 0 HG2 ARG A 36 141.372 94.499 49.579 1.00 0.00 H new ATOM 0 HG3 ARG A 36 140.362 93.691 50.761 1.00 0.00 H new ATOM 0 HD2 ARG A 36 139.279 93.240 48.088 1.00 0.00 H new ATOM 0 HD3 ARG A 36 140.979 92.814 48.114 1.00 0.00 H new ATOM 0 HE ARG A 36 139.019 91.702 50.168 1.00 0.00 H new ATOM 0 HH11 ARG A 36 139.228 89.455 50.414 1.00 0.00 H new ATOM 0 HH12 ARG A 36 140.569 88.600 49.645 1.00 0.00 H new ATOM 0 HH21 ARG A 36 141.862 91.478 48.100 1.00 0.00 H new ATOM 0 HH22 ARG A 36 142.052 89.738 48.342 1.00 0.00 H new ATOM 565 N GLY A 37 135.759 95.408 48.877 1.00 0.00 N ATOM 566 CA GLY A 37 134.662 96.248 49.436 1.00 0.00 C ATOM 567 C GLY A 37 133.323 95.760 48.891 1.00 0.00 C ATOM 568 O GLY A 37 132.401 95.471 49.626 1.00 0.00 O ATOM 0 H GLY A 37 135.479 94.562 48.381 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.666 96.193 50.525 1.00 0.00 H new ATOM 0 HA3 GLY A 37 134.817 97.293 49.169 1.00 0.00 H new ATOM 572 N ILE A 38 133.218 95.677 47.600 1.00 0.00 N ATOM 573 CA ILE A 38 131.954 95.223 46.962 1.00 0.00 C ATOM 574 C ILE A 38 131.798 93.712 47.102 1.00 0.00 C ATOM 575 O ILE A 38 130.727 93.202 47.343 1.00 0.00 O ATOM 576 CB ILE A 38 132.037 95.564 45.479 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.688 95.312 44.809 1.00 0.00 C ATOM 578 CG2 ILE A 38 133.114 94.694 44.801 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.836 95.537 43.306 1.00 0.00 C ATOM 0 H ILE A 38 133.966 95.908 46.947 1.00 0.00 H new ATOM 0 HA ILE A 38 131.105 95.711 47.441 1.00 0.00 H new ATOM 0 HB ILE A 38 132.301 96.616 45.375 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.352 94.294 45.007 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.932 95.982 45.218 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.168 94.943 43.741 1.00 0.00 H new ATOM 0 HG22 ILE A 38 134.081 94.882 45.268 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.855 93.641 44.914 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.879 95.360 42.816 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.154 96.563 43.121 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.581 94.849 42.907 1.00 0.00 H new ATOM 591 N VAL A 39 132.864 93.005 46.904 1.00 0.00 N ATOM 592 CA VAL A 39 132.832 91.534 46.961 1.00 0.00 C ATOM 593 C VAL A 39 132.512 91.047 48.373 1.00 0.00 C ATOM 594 O VAL A 39 131.535 90.361 48.597 1.00 0.00 O ATOM 595 CB VAL A 39 134.219 91.067 46.546 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.388 89.583 46.841 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.421 91.343 45.053 1.00 0.00 C ATOM 0 H VAL A 39 133.782 93.400 46.699 1.00 0.00 H new ATOM 0 HA VAL A 39 132.058 91.135 46.306 1.00 0.00 H new ATOM 0 HB VAL A 39 134.970 91.614 47.116 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.385 89.263 46.539 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.259 89.407 47.909 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.641 89.015 46.287 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.414 91.009 44.752 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.668 90.804 44.478 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.325 92.412 44.864 1.00 0.00 H new ATOM 607 N GLU A 40 133.333 91.379 49.317 1.00 0.00 N ATOM 608 CA GLU A 40 133.080 90.917 50.705 1.00 0.00 C ATOM 609 C GLU A 40 131.708 91.416 51.173 1.00 0.00 C ATOM 610 O GLU A 40 131.120 90.871 52.085 1.00 0.00 O ATOM 611 CB GLU A 40 134.180 91.455 51.619 1.00 0.00 C ATOM 612 CG GLU A 40 135.529 91.377 50.901 1.00 0.00 C ATOM 613 CD GLU A 40 136.660 91.575 51.911 1.00 0.00 C ATOM 614 OE1 GLU A 40 136.681 92.613 52.550 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.485 90.684 52.030 1.00 0.00 O1- ATOM 0 H GLU A 40 134.169 91.950 49.192 1.00 0.00 H new ATOM 0 HA GLU A 40 133.085 89.828 50.740 1.00 0.00 H new ATOM 0 HB2 GLU A 40 133.964 92.487 51.897 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.214 90.877 52.542 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.634 90.411 50.407 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.584 92.140 50.124 1.00 0.00 H new ATOM 622 N GLN A 41 131.194 92.446 50.555 1.00 0.00 N ATOM 623 CA GLN A 41 129.857 92.980 50.961 1.00 0.00 C ATOM 624 C GLN A 41 128.761 92.356 50.090 1.00 0.00 C ATOM 625 O GLN A 41 127.667 92.088 50.548 1.00 0.00 O ATOM 626 CB GLN A 41 129.844 94.499 50.781 1.00 0.00 C ATOM 627 CG GLN A 41 128.622 95.089 51.486 1.00 0.00 C ATOM 628 CD GLN A 41 128.663 96.615 51.388 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.120 97.304 52.229 1.00 0.00 O ATOM 630 NE2 GLN A 41 129.288 97.175 50.389 1.00 0.00 N ATOM 0 H GLN A 41 131.642 92.943 49.785 1.00 0.00 H new ATOM 0 HA GLN A 41 129.671 92.730 52.006 1.00 0.00 H new ATOM 0 HB2 GLN A 41 130.757 94.932 51.191 1.00 0.00 H new ATOM 0 HB3 GLN A 41 129.821 94.749 49.720 1.00 0.00 H new ATOM 0 HG2 GLN A 41 127.708 94.709 51.030 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.609 94.781 52.532 1.00 0.00 H new ATOM 0 HE21 GLN A 41 129.744 96.596 49.683 1.00 0.00 H new ATOM 0 HE22 GLN A 41 129.321 98.192 50.314 1.00 0.00 H new ATOM 639 N CYS A 42 129.041 92.130 48.833 1.00 0.00 N ATOM 640 CA CYS A 42 128.014 91.534 47.924 1.00 0.00 C ATOM 641 C CYS A 42 128.092 90.006 47.978 1.00 0.00 C ATOM 642 O CYS A 42 127.098 89.332 48.143 1.00 0.00 O ATOM 643 CB CYS A 42 128.271 91.993 46.484 1.00 0.00 C ATOM 644 SG CYS A 42 128.002 93.778 46.359 1.00 0.00 S ATOM 0 H CYS A 42 129.939 92.333 48.394 1.00 0.00 H new ATOM 0 HA CYS A 42 127.026 91.862 48.247 1.00 0.00 H new ATOM 0 HB2 CYS A 42 129.291 91.747 46.190 1.00 0.00 H new ATOM 0 HB3 CYS A 42 127.606 91.466 45.799 1.00 0.00 H new ATOM 649 N CYS A 43 129.263 89.457 47.816 1.00 0.00 N ATOM 650 CA CYS A 43 129.405 87.971 47.832 1.00 0.00 C ATOM 651 C CYS A 43 128.995 87.398 49.192 1.00 0.00 C ATOM 652 O CYS A 43 128.223 86.464 49.271 1.00 0.00 O ATOM 653 CB CYS A 43 130.862 87.602 47.542 1.00 0.00 C ATOM 654 SG CYS A 43 131.033 85.799 47.491 1.00 0.00 S ATOM 0 H CYS A 43 130.131 89.973 47.673 1.00 0.00 H new ATOM 0 HA CYS A 43 128.751 87.549 47.069 1.00 0.00 H new ATOM 0 HB2 CYS A 43 131.175 88.034 46.592 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.513 88.018 48.311 1.00 0.00 H new ATOM 659 N HIS A 44 129.518 87.929 50.267 1.00 0.00 N ATOM 660 CA HIS A 44 129.166 87.384 51.612 1.00 0.00 C ATOM 661 C HIS A 44 127.854 87.991 52.117 1.00 0.00 C ATOM 662 O HIS A 44 127.160 87.393 52.916 1.00 0.00 O ATOM 663 CB HIS A 44 130.285 87.712 52.604 1.00 0.00 C ATOM 664 CG HIS A 44 130.015 87.020 53.912 1.00 0.00 C ATOM 665 ND1 HIS A 44 129.396 87.664 54.975 1.00 0.00 N ATOM 666 CD2 HIS A 44 130.269 85.741 54.344 1.00 0.00 C ATOM 667 CE1 HIS A 44 129.301 86.779 55.985 1.00 0.00 C ATOM 668 NE2 HIS A 44 129.819 85.596 55.651 1.00 0.00 N ATOM 0 H HIS A 44 130.171 88.713 50.272 1.00 0.00 H new ATOM 0 HA HIS A 44 129.044 86.304 51.527 1.00 0.00 H new ATOM 0 HB2 HIS A 44 131.247 87.392 52.203 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.346 88.790 52.756 1.00 0.00 H new ATOM 0 HD2 HIS A 44 130.745 84.968 53.759 1.00 0.00 H new ATOM 0 HE1 HIS A 44 128.860 86.999 56.946 1.00 0.00 H new ATOM 0 HE2 HIS A 44 129.873 84.760 56.233 1.00 0.00 H new ATOM 677 N SER A 45 127.507 89.175 51.676 1.00 0.00 N ATOM 678 CA SER A 45 126.236 89.814 52.153 1.00 0.00 C ATOM 679 C SER A 45 125.539 90.536 50.996 1.00 0.00 C ATOM 680 O SER A 45 126.007 90.536 49.876 1.00 0.00 O ATOM 681 CB SER A 45 126.567 90.825 53.252 1.00 0.00 C ATOM 682 OG SER A 45 126.936 90.127 54.435 1.00 0.00 O ATOM 0 H SER A 45 128.045 89.727 51.008 1.00 0.00 H new ATOM 0 HA SER A 45 125.571 89.042 52.541 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.380 91.476 52.931 1.00 0.00 H new ATOM 0 HB3 SER A 45 125.705 91.464 53.446 1.00 0.00 H new ATOM 0 HG SER A 45 127.151 90.771 55.142 1.00 0.00 H new ATOM 688 N ILE A 46 124.417 91.153 51.268 1.00 0.00 N ATOM 689 CA ILE A 46 123.676 91.885 50.200 1.00 0.00 C ATOM 690 C ILE A 46 124.279 93.293 50.082 1.00 0.00 C ATOM 691 O ILE A 46 124.877 93.792 51.015 1.00 0.00 O ATOM 692 CB ILE A 46 122.168 91.999 50.569 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.662 90.725 51.285 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.323 92.223 49.307 1.00 0.00 C ATOM 695 CD1 ILE A 46 121.321 89.636 50.264 1.00 0.00 C ATOM 0 H ILE A 46 123.981 91.180 52.190 1.00 0.00 H new ATOM 0 HA ILE A 46 123.762 91.347 49.256 1.00 0.00 H new ATOM 0 HB ILE A 46 122.065 92.849 51.244 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.424 90.360 51.973 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.781 90.961 51.881 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.271 92.301 49.582 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.639 93.144 48.817 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.458 91.384 48.625 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.967 88.747 50.785 1.00 0.00 H new ATOM 0 HD12 ILE A 46 120.542 89.998 49.593 1.00 0.00 H new ATOM 0 HD13 ILE A 46 122.211 89.387 49.686 1.00 0.00 H new ATOM 707 N CYS A 47 124.126 93.944 48.956 1.00 0.00 N ATOM 708 CA CYS A 47 124.691 95.325 48.804 1.00 0.00 C ATOM 709 C CYS A 47 123.735 96.178 47.968 1.00 0.00 C ATOM 710 O CYS A 47 122.808 95.679 47.361 1.00 0.00 O ATOM 711 CB CYS A 47 126.065 95.259 48.128 1.00 0.00 C ATOM 712 SG CYS A 47 126.048 94.017 46.814 1.00 0.00 S ATOM 0 H CYS A 47 123.637 93.583 48.137 1.00 0.00 H new ATOM 0 HA CYS A 47 124.808 95.777 49.789 1.00 0.00 H new ATOM 0 HB2 CYS A 47 126.324 96.234 47.715 1.00 0.00 H new ATOM 0 HB3 CYS A 47 126.830 95.012 48.864 1.00 0.00 H new ATOM 717 N SER A 48 123.942 97.468 47.952 1.00 0.00 N ATOM 718 CA SER A 48 123.035 98.365 47.179 1.00 0.00 C ATOM 719 C SER A 48 123.447 98.410 45.703 1.00 0.00 C ATOM 720 O SER A 48 124.556 98.088 45.334 1.00 0.00 O ATOM 721 CB SER A 48 123.087 99.782 47.777 1.00 0.00 C ATOM 722 OG SER A 48 121.773 100.319 47.815 1.00 0.00 O ATOM 0 H SER A 48 124.702 97.940 48.442 1.00 0.00 H new ATOM 0 HA SER A 48 122.019 97.976 47.241 1.00 0.00 H new ATOM 0 HB2 SER A 48 123.510 99.751 48.781 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.737 100.420 47.177 1.00 0.00 H new ATOM 0 HG SER A 48 121.799 101.221 48.197 1.00 0.00 H new ATOM 728 N LEU A 49 122.547 98.846 44.875 1.00 0.00 N ATOM 729 CA LEU A 49 122.827 98.980 43.431 1.00 0.00 C ATOM 730 C LEU A 49 123.534 100.318 43.248 1.00 0.00 C ATOM 731 O LEU A 49 124.421 100.484 42.434 1.00 0.00 O ATOM 732 CB LEU A 49 121.467 98.916 42.695 1.00 0.00 C ATOM 733 CG LEU A 49 121.383 99.915 41.537 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.504 99.659 40.508 1.00 0.00 C ATOM 735 CD2 LEU A 49 120.017 99.761 40.879 1.00 0.00 C ATOM 0 H LEU A 49 121.604 99.122 45.150 1.00 0.00 H new ATOM 0 HA LEU A 49 123.465 98.193 43.028 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.311 97.907 42.313 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.663 99.117 43.404 1.00 0.00 H new ATOM 0 HG LEU A 49 121.510 100.929 41.915 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.424 100.381 39.695 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.474 99.765 40.993 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.407 98.650 40.108 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.932 100.463 40.049 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.906 98.743 40.506 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.236 99.967 41.610 1.00 0.00 H new ATOM 747 N GLU A 50 123.137 101.263 44.036 1.00 0.00 N ATOM 748 CA GLU A 50 123.742 102.609 43.986 1.00 0.00 C ATOM 749 C GLU A 50 125.218 102.474 44.277 1.00 0.00 C ATOM 750 O GLU A 50 126.041 103.272 43.876 1.00 0.00 O ATOM 751 CB GLU A 50 123.074 103.434 45.069 1.00 0.00 C ATOM 752 CG GLU A 50 121.577 103.510 44.775 1.00 0.00 C ATOM 753 CD GLU A 50 120.946 104.633 45.602 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.714 104.415 46.779 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.705 105.689 45.043 1.00 0.00 O1- ATOM 0 H GLU A 50 122.399 101.156 44.731 1.00 0.00 H new ATOM 0 HA GLU A 50 123.611 103.082 43.013 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.244 102.983 46.047 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.504 104.435 45.100 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.414 103.692 43.713 1.00 0.00 H new ATOM 0 HG3 GLU A 50 121.101 102.559 45.013 1.00 0.00 H new ATOM 762 N GLN A 51 125.529 101.450 44.981 1.00 0.00 N ATOM 763 CA GLN A 51 126.939 101.175 45.351 1.00 0.00 C ATOM 764 C GLN A 51 127.694 100.648 44.125 1.00 0.00 C ATOM 765 O GLN A 51 128.895 100.758 44.041 1.00 0.00 O ATOM 766 CB GLN A 51 126.962 100.139 46.479 1.00 0.00 C ATOM 767 CG GLN A 51 128.387 99.618 46.686 1.00 0.00 C ATOM 768 CD GLN A 51 128.486 98.916 48.038 1.00 0.00 C ATOM 769 OE1 GLN A 51 129.564 98.762 48.579 1.00 0.00 O ATOM 770 NE2 GLN A 51 127.401 98.480 48.608 1.00 0.00 N ATOM 0 H GLN A 51 124.856 100.768 45.330 1.00 0.00 H new ATOM 0 HA GLN A 51 127.424 102.089 45.693 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.592 100.586 47.402 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.295 99.311 46.237 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.652 98.927 45.886 1.00 0.00 H new ATOM 0 HG3 GLN A 51 129.097 100.444 46.641 1.00 0.00 H new ATOM 0 HE21 GLN A 51 126.498 98.610 48.152 1.00 0.00 H new ATOM 0 HE22 GLN A 51 127.453 98.008 49.511 1.00 0.00 H new ATOM 779 N LEU A 52 127.000 100.089 43.169 1.00 0.00 N ATOM 780 CA LEU A 52 127.674 99.577 41.945 1.00 0.00 C ATOM 781 C LEU A 52 127.843 100.739 40.969 1.00 0.00 C ATOM 782 O LEU A 52 128.703 100.744 40.116 1.00 0.00 O ATOM 783 CB LEU A 52 126.748 98.561 41.272 1.00 0.00 C ATOM 784 CG LEU A 52 126.341 97.446 42.211 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.331 96.570 41.477 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.543 96.606 42.572 1.00 0.00 C ATOM 0 H LEU A 52 125.988 99.965 43.186 1.00 0.00 H new ATOM 0 HA LEU A 52 128.634 99.130 42.205 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.856 99.071 40.908 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.249 98.136 40.402 1.00 0.00 H new ATOM 0 HG LEU A 52 125.915 97.863 43.124 1.00 0.00 H new ATOM 0 HD11 LEU A 52 125.016 95.754 42.128 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.463 97.169 41.200 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.791 96.160 40.578 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.239 95.807 43.248 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.969 96.173 41.667 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.290 97.231 43.062 1.00 0.00 H new ATOM 798 N GLU A 53 126.974 101.698 41.063 1.00 0.00 N ATOM 799 CA GLU A 53 127.007 102.840 40.132 1.00 0.00 C ATOM 800 C GLU A 53 128.249 103.700 40.368 1.00 0.00 C ATOM 801 O GLU A 53 128.655 104.456 39.509 1.00 0.00 O ATOM 802 CB GLU A 53 125.715 103.640 40.353 1.00 0.00 C ATOM 803 CG GLU A 53 124.649 103.212 39.335 1.00 0.00 C ATOM 804 CD GLU A 53 123.361 104.003 39.579 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.454 103.449 40.178 1.00 0.00 O ATOM 806 OE2 GLU A 53 123.305 105.148 39.162 1.00 0.00 O1- ATOM 0 H GLU A 53 126.230 101.735 41.760 1.00 0.00 H new ATOM 0 HA GLU A 53 127.064 102.497 39.099 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.347 103.479 41.366 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.917 104.706 40.253 1.00 0.00 H new ATOM 0 HG2 GLU A 53 125.009 103.387 38.321 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.454 102.143 39.424 1.00 0.00 H new ATOM 813 N ASN A 54 128.874 103.583 41.501 1.00 0.00 N ATOM 814 CA ASN A 54 130.105 104.388 41.744 1.00 0.00 C ATOM 815 C ASN A 54 131.292 103.600 41.201 1.00 0.00 C ATOM 816 O ASN A 54 132.403 104.086 41.123 1.00 0.00 O ATOM 817 CB ASN A 54 130.274 104.662 43.239 1.00 0.00 C ATOM 818 CG ASN A 54 130.627 103.385 43.989 1.00 0.00 C ATOM 819 OD1 ASN A 54 131.708 102.851 43.835 1.00 0.00 O ATOM 820 ND2 ASN A 54 129.756 102.878 44.814 1.00 0.00 N ATOM 0 H ASN A 54 128.592 102.971 42.266 1.00 0.00 H new ATOM 0 HA ASN A 54 130.035 105.352 41.240 1.00 0.00 H new ATOM 0 HB2 ASN A 54 131.057 105.405 43.390 1.00 0.00 H new ATOM 0 HB3 ASN A 54 129.353 105.082 43.642 1.00 0.00 H new ATOM 0 HD21 ASN A 54 129.980 102.030 45.334 1.00 0.00 H new ATOM 0 HD22 ASN A 54 128.850 103.329 44.940 1.00 0.00 H new ATOM 827 N TYR A 55 131.049 102.374 40.829 1.00 0.00 N ATOM 828 CA TYR A 55 132.139 101.513 40.289 1.00 0.00 C ATOM 829 C TYR A 55 132.295 101.801 38.796 1.00 0.00 C ATOM 830 O TYR A 55 133.374 101.726 38.242 1.00 0.00 O ATOM 831 CB TYR A 55 131.802 100.027 40.487 1.00 0.00 C ATOM 832 CG TYR A 55 131.985 99.677 41.927 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.326 100.402 42.903 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.851 98.665 42.281 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.535 100.116 44.242 1.00 0.00 C ATOM 836 CE2 TYR A 55 133.056 98.365 43.618 1.00 0.00 C ATOM 837 CZ TYR A 55 132.401 99.096 44.609 1.00 0.00 C ATOM 838 OH TYR A 55 132.613 98.814 45.943 1.00 0.00 O ATOM 0 H TYR A 55 130.133 101.927 40.876 1.00 0.00 H new ATOM 0 HA TYR A 55 133.066 101.732 40.819 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.775 99.829 40.179 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.447 99.408 39.864 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.647 101.193 42.621 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.370 98.106 41.516 1.00 0.00 H new ATOM 0 HE1 TYR A 55 131.023 100.688 45.002 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.725 97.563 43.894 1.00 0.00 H new ATOM 0 HH TYR A 55 131.807 99.033 46.456 1.00 0.00 H new ATOM 848 N CYS A 56 131.211 102.131 38.144 1.00 0.00 N ATOM 849 CA CYS A 56 131.267 102.427 36.685 1.00 0.00 C ATOM 850 C CYS A 56 132.187 103.613 36.431 1.00 0.00 C ATOM 851 O CYS A 56 131.902 104.736 36.797 1.00 0.00 O ATOM 852 CB CYS A 56 129.877 102.756 36.172 1.00 0.00 C ATOM 853 SG CYS A 56 129.891 102.808 34.362 1.00 0.00 S ATOM 0 H CYS A 56 130.285 102.208 38.564 1.00 0.00 H new ATOM 0 HA CYS A 56 131.651 101.550 36.163 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.164 102.007 36.518 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.550 103.716 36.571 1.00 0.00 H new ATOM 858 N ASN A 57 133.287 103.362 35.801 1.00 0.00 N ATOM 859 CA ASN A 57 134.252 104.457 35.502 1.00 0.00 C ATOM 860 C ASN A 57 134.522 105.263 36.775 1.00 0.00 C ATOM 861 O ASN A 57 134.052 106.387 36.851 1.00 0.00 O ATOM 862 CB ASN A 57 133.659 105.374 34.431 1.00 0.00 C ATOM 863 CG ASN A 57 134.742 106.320 33.910 1.00 0.00 C ATOM 864 OD1 ASN A 57 135.473 105.985 32.998 1.00 0.00 O ATOM 865 ND2 ASN A 57 134.877 107.499 34.455 1.00 0.00 N ATOM 866 OXT ASN A 57 135.192 104.744 37.651 1.00 0.00 O ATOM 0 H ASN A 57 133.569 102.438 35.474 1.00 0.00 H new ATOM 0 HA ASN A 57 135.188 104.031 35.140 1.00 0.00 H new ATOM 0 HB2 ASN A 57 133.256 104.779 33.611 1.00 0.00 H new ATOM 0 HB3 ASN A 57 132.830 105.947 34.847 1.00 0.00 H new ATOM 0 HD21 ASN A 57 135.595 108.139 34.116 1.00 0.00 H new ATOM 0 HD22 ASN A 57 134.264 107.780 35.220 1.00 0.00 H new TER 873 ASN A 57