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= -5.36! K(o=-14!,f=1.2) USER MOD Set 1.2: A 51 GLN : amide:sc= -8.39! K(o=-14!,f=1.2) USER MOD Single : A 1 PHE N :NH3+ -161:sc=0.000606 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.97! C(o=-2!,f=-2.7!) USER MOD Single : A 4 GLN : amide:sc= -3.08! K(o=-3.1!,f=0.14) USER MOD Single : A 5 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-3.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0442 USER MOD Single : A 10 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.003) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 100:sc= -3.3! USER MOD Single : A 27 THR OG1 : rot -170:sc= -0.63! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 8:sc= 0.0578 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.51! C(o=-1.5!,f=-5.9!) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.542 USER MOD Single : A 57 ASN : amide:sc=-0.00504 K(o=-0.005,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.100 90.722 39.518 1.00 0.00 N ATOM 2 CA PHE A 1 120.024 90.887 40.676 1.00 0.00 C ATOM 3 C PHE A 1 119.361 91.769 41.697 1.00 0.00 C ATOM 4 O PHE A 1 119.365 92.961 41.611 1.00 0.00 O ATOM 5 CB PHE A 1 121.342 91.521 40.254 1.00 0.00 C ATOM 6 CG PHE A 1 121.292 93.005 40.445 1.00 0.00 C ATOM 7 CD1 PHE A 1 120.622 93.793 39.519 1.00 0.00 C ATOM 8 CD2 PHE A 1 121.959 93.595 41.521 1.00 0.00 C ATOM 9 CE1 PHE A 1 120.621 95.175 39.659 1.00 0.00 C ATOM 10 CE2 PHE A 1 121.952 94.981 41.671 1.00 0.00 C ATOM 11 CZ PHE A 1 121.284 95.772 40.733 1.00 0.00 C ATOM 0 H1 PHE A 1 119.381 89.887 38.966 1.00 0.00 H new ATOM 0 H2 PHE A 1 118.128 90.596 39.865 1.00 0.00 H new ATOM 0 H3 PHE A 1 119.145 91.568 38.914 1.00 0.00 H new ATOM 0 HA PHE A 1 120.239 89.902 41.090 1.00 0.00 H new ATOM 0 HB2 PHE A 1 122.159 91.100 40.839 1.00 0.00 H new ATOM 0 HB3 PHE A 1 121.546 91.289 39.209 1.00 0.00 H new ATOM 0 HD1 PHE A 1 120.103 93.333 38.692 1.00 0.00 H new ATOM 0 HD2 PHE A 1 122.480 92.977 42.237 1.00 0.00 H new ATOM 0 HE1 PHE A 1 120.106 95.789 38.935 1.00 0.00 H new ATOM 0 HE2 PHE A 1 122.459 95.440 42.507 1.00 0.00 H new ATOM 0 HZ PHE A 1 121.280 96.847 40.839 1.00 0.00 H new ATOM 23 N VAL A 2 118.744 91.159 42.611 1.00 0.00 N ATOM 24 CA VAL A 2 118.000 91.876 43.686 1.00 0.00 C ATOM 25 C VAL A 2 118.928 92.074 44.887 1.00 0.00 C ATOM 26 O VAL A 2 118.582 91.755 46.007 1.00 0.00 O ATOM 27 CB VAL A 2 116.786 91.043 44.107 1.00 0.00 C ATOM 28 CG1 VAL A 2 115.810 91.918 44.900 1.00 0.00 C ATOM 29 CG2 VAL A 2 116.082 90.508 42.858 1.00 0.00 C ATOM 0 H VAL A 2 118.706 90.142 42.685 1.00 0.00 H new ATOM 0 HA VAL A 2 117.662 92.845 43.320 1.00 0.00 H new ATOM 0 HB VAL A 2 117.116 90.212 44.730 1.00 0.00 H new ATOM 0 HG11 VAL A 2 114.947 91.322 45.198 1.00 0.00 H new ATOM 0 HG12 VAL A 2 116.308 92.305 45.789 1.00 0.00 H new ATOM 0 HG13 VAL A 2 115.479 92.750 44.278 1.00 0.00 H new ATOM 0 HG21 VAL A 2 115.217 89.914 43.154 1.00 0.00 H new ATOM 0 HG22 VAL A 2 115.754 91.343 42.239 1.00 0.00 H new ATOM 0 HG23 VAL A 2 116.773 89.885 42.290 1.00 0.00 H new ATOM 39 N ASN A 3 120.107 92.592 44.660 1.00 0.00 N ATOM 40 CA ASN A 3 121.067 92.813 45.781 1.00 0.00 C ATOM 41 C ASN A 3 121.575 91.460 46.297 1.00 0.00 C ATOM 42 O ASN A 3 122.702 91.345 46.730 1.00 0.00 O ATOM 43 CB ASN A 3 120.367 93.584 46.905 1.00 0.00 C ATOM 44 CG ASN A 3 119.319 94.528 46.311 1.00 0.00 C ATOM 45 OD1 ASN A 3 119.519 95.085 45.250 1.00 0.00 O ATOM 46 ND2 ASN A 3 118.201 94.734 46.954 1.00 0.00 N ATOM 0 H ASN A 3 120.448 92.873 43.740 1.00 0.00 H new ATOM 0 HA ASN A 3 121.918 93.396 45.428 1.00 0.00 H new ATOM 0 HB2 ASN A 3 119.892 92.887 47.596 1.00 0.00 H new ATOM 0 HB3 ASN A 3 121.099 94.153 47.479 1.00 0.00 H new ATOM 0 HD21 ASN A 3 117.497 95.362 46.565 1.00 0.00 H new ATOM 0 HD22 ASN A 3 118.032 94.267 47.845 1.00 0.00 H new ATOM 53 N GLN A 4 120.727 90.463 46.264 1.00 0.00 N ATOM 54 CA GLN A 4 121.076 89.086 46.746 1.00 0.00 C ATOM 55 C GLN A 4 122.571 88.779 46.600 1.00 0.00 C ATOM 56 O GLN A 4 123.276 89.378 45.812 1.00 0.00 O ATOM 57 CB GLN A 4 120.273 88.068 45.938 1.00 0.00 C ATOM 58 CG GLN A 4 120.758 88.065 44.486 1.00 0.00 C ATOM 59 CD GLN A 4 119.746 87.324 43.610 1.00 0.00 C ATOM 60 OE1 GLN A 4 119.856 86.131 43.411 1.00 0.00 O ATOM 61 NE2 GLN A 4 118.756 87.986 43.073 1.00 0.00 N ATOM 0 H GLN A 4 119.774 90.548 45.911 1.00 0.00 H new ATOM 0 HA GLN A 4 120.833 89.028 47.807 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.386 87.074 46.372 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.212 88.314 45.977 1.00 0.00 H new ATOM 0 HG2 GLN A 4 120.882 89.088 44.131 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.734 87.584 44.419 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.663 88.988 43.240 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.076 87.501 42.487 1.00 0.00 H new ATOM 70 N HIS A 5 123.053 87.836 47.363 1.00 0.00 N ATOM 71 CA HIS A 5 124.499 87.477 47.302 1.00 0.00 C ATOM 72 C HIS A 5 124.964 87.386 45.849 1.00 0.00 C ATOM 73 O HIS A 5 124.396 86.678 45.040 1.00 0.00 O ATOM 74 CB HIS A 5 124.716 86.127 47.988 1.00 0.00 C ATOM 75 CG HIS A 5 123.836 85.093 47.338 1.00 0.00 C ATOM 76 ND1 HIS A 5 124.218 84.412 46.192 1.00 0.00 N ATOM 77 CD2 HIS A 5 122.589 84.617 47.661 1.00 0.00 C ATOM 78 CE1 HIS A 5 123.217 83.572 45.867 1.00 0.00 C ATOM 79 NE2 HIS A 5 122.204 83.660 46.731 1.00 0.00 N ATOM 0 H HIS A 5 122.503 87.295 48.031 1.00 0.00 H new ATOM 0 HA HIS A 5 125.076 88.250 47.810 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.762 85.831 47.912 1.00 0.00 H new ATOM 0 HB3 HIS A 5 124.483 86.204 49.050 1.00 0.00 H new ATOM 0 HD2 HIS A 5 121.999 84.937 48.507 1.00 0.00 H new ATOM 0 HE1 HIS A 5 123.232 82.910 45.014 1.00 0.00 H new ATOM 0 HE2 HIS A 5 121.330 83.135 46.712 1.00 0.00 H new ATOM 88 N LEU A 6 126.000 88.112 45.520 1.00 0.00 N ATOM 89 CA LEU A 6 126.542 88.112 44.126 1.00 0.00 C ATOM 90 C LEU A 6 128.066 87.892 44.207 1.00 0.00 C ATOM 91 O LEU A 6 128.801 88.759 44.637 1.00 0.00 O ATOM 92 CB LEU A 6 126.214 89.489 43.484 1.00 0.00 C ATOM 93 CG LEU A 6 125.305 89.367 42.239 1.00 0.00 C ATOM 94 CD1 LEU A 6 124.076 88.472 42.524 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.833 90.780 41.842 1.00 0.00 C ATOM 0 H LEU A 6 126.503 88.716 46.170 1.00 0.00 H new ATOM 0 HA LEU A 6 126.101 87.322 43.518 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.726 90.123 44.224 1.00 0.00 H new ATOM 0 HB3 LEU A 6 127.143 89.985 43.203 1.00 0.00 H new ATOM 0 HG LEU A 6 125.872 88.906 41.430 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.458 88.407 41.629 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.411 87.474 42.807 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.492 88.903 43.337 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.190 90.716 40.964 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.277 91.223 42.668 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.698 91.402 41.612 1.00 0.00 H new ATOM 107 N CYS A 7 128.537 86.735 43.797 1.00 0.00 N ATOM 108 CA CYS A 7 130.009 86.438 43.843 1.00 0.00 C ATOM 109 C CYS A 7 130.538 86.269 42.418 1.00 0.00 C ATOM 110 O CYS A 7 129.815 86.442 41.458 1.00 0.00 O ATOM 111 CB CYS A 7 130.246 85.141 44.624 1.00 0.00 C ATOM 112 SG CYS A 7 129.353 85.209 46.197 1.00 0.00 S ATOM 0 H CYS A 7 127.961 85.978 43.430 1.00 0.00 H new ATOM 0 HA CYS A 7 130.529 87.261 44.334 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.908 84.285 44.039 1.00 0.00 H new ATOM 0 HB3 CYS A 7 131.312 85.003 44.805 1.00 0.00 H new ATOM 117 N GLY A 8 131.794 85.935 42.266 1.00 0.00 N ATOM 118 CA GLY A 8 132.364 85.758 40.895 1.00 0.00 C ATOM 119 C GLY A 8 131.927 86.926 40.008 1.00 0.00 C ATOM 120 O GLY A 8 131.650 88.004 40.492 1.00 0.00 O ATOM 0 H GLY A 8 132.450 85.777 43.031 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.452 85.712 40.945 1.00 0.00 H new ATOM 0 HA3 GLY A 8 132.024 84.815 40.467 1.00 0.00 H new ATOM 124 N SER A 9 131.841 86.727 38.719 1.00 0.00 N ATOM 125 CA SER A 9 131.399 87.844 37.836 1.00 0.00 C ATOM 126 C SER A 9 129.875 87.964 37.914 1.00 0.00 C ATOM 127 O SER A 9 129.305 88.931 37.452 1.00 0.00 O ATOM 128 CB SER A 9 131.848 87.600 36.394 1.00 0.00 C ATOM 129 OG SER A 9 131.777 86.210 36.106 1.00 0.00 O ATOM 0 H SER A 9 132.055 85.850 38.244 1.00 0.00 H new ATOM 0 HA SER A 9 131.854 88.776 38.172 1.00 0.00 H new ATOM 0 HB2 SER A 9 131.214 88.158 35.705 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.867 87.960 36.253 1.00 0.00 H new ATOM 0 HG SER A 9 132.063 86.052 35.182 1.00 0.00 H new ATOM 135 N HIS A 10 129.196 87.020 38.540 1.00 0.00 N ATOM 136 CA HIS A 10 127.710 87.167 38.673 1.00 0.00 C ATOM 137 C HIS A 10 127.492 88.548 39.264 1.00 0.00 C ATOM 138 O HIS A 10 126.478 89.190 39.076 1.00 0.00 O ATOM 139 CB HIS A 10 127.135 86.112 39.626 1.00 0.00 C ATOM 140 CG HIS A 10 127.193 84.755 38.981 1.00 0.00 C ATOM 141 ND1 HIS A 10 126.078 83.935 38.880 1.00 0.00 N ATOM 142 CD2 HIS A 10 128.226 84.057 38.403 1.00 0.00 C ATOM 143 CE1 HIS A 10 126.462 82.801 38.265 1.00 0.00 C ATOM 144 NE2 HIS A 10 127.758 82.827 37.954 1.00 0.00 N ATOM 0 H HIS A 10 129.597 86.178 38.953 1.00 0.00 H new ATOM 0 HA HIS A 10 127.216 87.038 37.710 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.699 86.106 40.559 1.00 0.00 H new ATOM 0 HB3 HIS A 10 126.104 86.361 39.879 1.00 0.00 H new ATOM 0 HD2 HIS A 10 129.243 84.409 38.312 1.00 0.00 H new ATOM 0 HE1 HIS A 10 125.802 81.973 38.050 1.00 0.00 H new ATOM 0 HE2 HIS A 10 128.294 82.097 37.485 1.00 0.00 H new ATOM 153 N LEU A 11 128.504 89.009 39.941 1.00 0.00 N ATOM 154 CA LEU A 11 128.493 90.343 40.527 1.00 0.00 C ATOM 155 C LEU A 11 128.776 91.317 39.397 1.00 0.00 C ATOM 156 O LEU A 11 128.024 92.237 39.141 1.00 0.00 O ATOM 157 CB LEU A 11 129.605 90.385 41.566 1.00 0.00 C ATOM 158 CG LEU A 11 129.932 91.814 41.949 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.647 92.572 42.311 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.922 91.811 43.129 1.00 0.00 C ATOM 0 H LEU A 11 129.362 88.484 40.109 1.00 0.00 H new ATOM 0 HA LEU A 11 127.545 90.596 41.003 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.302 89.827 42.452 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.496 89.897 41.171 1.00 0.00 H new ATOM 0 HG LEU A 11 130.395 92.323 41.104 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.894 93.598 42.585 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.974 92.577 41.454 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.159 92.080 43.152 1.00 0.00 H new ATOM 0 HD21 LEU A 11 131.160 92.838 43.407 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.472 91.299 43.980 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.836 91.294 42.836 1.00 0.00 H new ATOM 172 N VAL A 12 129.857 91.095 38.697 1.00 0.00 N ATOM 173 CA VAL A 12 130.202 91.975 37.554 1.00 0.00 C ATOM 174 C VAL A 12 128.975 92.182 36.718 1.00 0.00 C ATOM 175 O VAL A 12 128.730 93.252 36.213 1.00 0.00 O ATOM 176 CB VAL A 12 131.236 91.288 36.667 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.200 91.892 35.247 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.610 91.461 37.288 1.00 0.00 C ATOM 0 H VAL A 12 130.516 90.337 38.873 1.00 0.00 H new ATOM 0 HA VAL A 12 130.591 92.918 37.938 1.00 0.00 H new ATOM 0 HB VAL A 12 131.009 90.225 36.588 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.942 91.395 34.621 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.209 91.751 34.816 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.424 92.957 35.299 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.357 90.973 36.661 1.00 0.00 H new ATOM 0 HG22 VAL A 12 132.842 92.523 37.369 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.620 91.011 38.281 1.00 0.00 H new ATOM 188 N GLU A 13 128.232 91.145 36.519 1.00 0.00 N ATOM 189 CA GLU A 13 127.054 91.274 35.672 1.00 0.00 C ATOM 190 C GLU A 13 126.297 92.507 36.095 1.00 0.00 C ATOM 191 O GLU A 13 126.125 93.431 35.340 1.00 0.00 O ATOM 192 CB GLU A 13 126.157 90.071 35.830 1.00 0.00 C ATOM 193 CG GLU A 13 125.229 89.981 34.621 1.00 0.00 C ATOM 194 CD GLU A 13 124.125 88.957 34.890 1.00 0.00 C ATOM 195 OE1 GLU A 13 123.624 88.934 36.003 1.00 0.00 O ATOM 196 OE2 GLU A 13 123.800 88.214 33.980 1.00 0.00 O1- ATOM 0 H GLU A 13 128.396 90.217 36.910 1.00 0.00 H new ATOM 0 HA GLU A 13 127.364 91.347 34.630 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.755 89.164 35.914 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.574 90.154 36.747 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.790 90.957 34.415 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.797 89.693 33.736 1.00 0.00 H new ATOM 203 N ALA A 14 125.896 92.530 37.337 1.00 0.00 N ATOM 204 CA ALA A 14 125.178 93.705 37.871 1.00 0.00 C ATOM 205 C ALA A 14 125.921 94.944 37.419 1.00 0.00 C ATOM 206 O ALA A 14 125.399 95.738 36.671 1.00 0.00 O ATOM 207 CB ALA A 14 125.185 93.631 39.399 1.00 0.00 C ATOM 0 H ALA A 14 126.040 91.773 38.006 1.00 0.00 H new ATOM 0 HA ALA A 14 124.148 93.732 37.516 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.658 94.493 39.807 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.688 92.716 39.721 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.214 93.631 39.759 1.00 0.00 H new ATOM 213 N LEU A 15 127.154 95.084 37.817 1.00 0.00 N ATOM 214 CA LEU A 15 127.944 96.254 37.369 1.00 0.00 C ATOM 215 C LEU A 15 127.746 96.434 35.865 1.00 0.00 C ATOM 216 O LEU A 15 127.448 97.503 35.396 1.00 0.00 O ATOM 217 CB LEU A 15 129.417 96.012 37.663 1.00 0.00 C ATOM 218 CG LEU A 15 129.637 96.066 39.187 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.764 95.113 39.601 1.00 0.00 C ATOM 220 CD2 LEU A 15 129.982 97.509 39.606 1.00 0.00 C ATOM 0 H LEU A 15 127.645 94.437 38.433 1.00 0.00 H new ATOM 0 HA LEU A 15 127.615 97.150 37.896 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.725 95.042 37.272 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.029 96.765 37.167 1.00 0.00 H new ATOM 0 HG LEU A 15 128.721 95.753 39.689 1.00 0.00 H new ATOM 0 HD11 LEU A 15 130.906 95.164 40.681 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.501 94.094 39.317 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.688 95.402 39.100 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.138 97.547 40.684 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.891 97.828 39.096 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.161 98.173 39.334 1.00 0.00 H new ATOM 232 N TYR A 16 127.871 95.377 35.102 1.00 0.00 N ATOM 233 CA TYR A 16 127.651 95.501 33.635 1.00 0.00 C ATOM 234 C TYR A 16 126.290 96.186 33.443 1.00 0.00 C ATOM 235 O TYR A 16 126.156 97.136 32.701 1.00 0.00 O ATOM 236 CB TYR A 16 127.713 94.082 32.980 1.00 0.00 C ATOM 237 CG TYR A 16 126.558 93.764 32.040 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.161 94.683 31.089 1.00 0.00 C ATOM 239 CD2 TYR A 16 125.921 92.523 32.106 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.126 94.387 30.203 1.00 0.00 C ATOM 241 CE2 TYR A 16 124.878 92.216 31.225 1.00 0.00 C ATOM 242 CZ TYR A 16 124.479 93.152 30.270 1.00 0.00 C ATOM 243 OH TYR A 16 123.455 92.859 29.394 1.00 0.00 O ATOM 0 H TYR A 16 128.114 94.443 35.431 1.00 0.00 H new ATOM 0 HA TYR A 16 128.420 96.101 33.149 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.648 93.992 32.428 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.737 93.332 33.771 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.657 95.641 31.031 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.235 91.796 32.841 1.00 0.00 H new ATOM 0 HE1 TYR A 16 124.824 95.114 29.464 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.383 91.258 31.284 1.00 0.00 H new ATOM 0 HH TYR A 16 123.116 91.958 29.577 1.00 0.00 H new ATOM 253 N LEU A 17 125.288 95.708 34.113 1.00 0.00 N ATOM 254 CA LEU A 17 123.936 96.316 33.972 1.00 0.00 C ATOM 255 C LEU A 17 123.978 97.800 34.303 1.00 0.00 C ATOM 256 O LEU A 17 123.691 98.651 33.484 1.00 0.00 O ATOM 257 CB LEU A 17 122.979 95.655 34.959 1.00 0.00 C ATOM 258 CG LEU A 17 123.141 94.152 34.895 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.099 93.476 35.787 1.00 0.00 C ATOM 260 CD2 LEU A 17 122.999 93.641 33.473 1.00 0.00 C ATOM 0 H LEU A 17 125.343 94.919 34.757 1.00 0.00 H new ATOM 0 HA LEU A 17 123.606 96.172 32.943 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.181 96.010 35.970 1.00 0.00 H new ATOM 0 HB3 LEU A 17 121.951 95.930 34.724 1.00 0.00 H new ATOM 0 HG LEU A 17 124.143 93.908 35.249 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.222 92.394 35.735 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.232 93.807 36.817 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.099 93.744 35.446 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.121 92.558 33.462 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.012 93.899 33.090 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.763 94.098 32.844 1.00 0.00 H new ATOM 272 N VAL A 18 124.299 98.103 35.523 1.00 0.00 N ATOM 273 CA VAL A 18 124.329 99.509 35.969 1.00 0.00 C ATOM 274 C VAL A 18 125.430 100.275 35.206 1.00 0.00 C ATOM 275 O VAL A 18 125.202 101.353 34.694 1.00 0.00 O ATOM 276 CB VAL A 18 124.515 99.542 37.522 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.551 98.119 38.099 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.801 100.276 37.920 1.00 0.00 C ATOM 0 H VAL A 18 124.546 97.421 36.240 1.00 0.00 H new ATOM 0 HA VAL A 18 123.389 100.013 35.742 1.00 0.00 H new ATOM 0 HB VAL A 18 123.661 100.081 37.933 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.681 98.168 39.180 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.615 97.609 37.869 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.382 97.569 37.658 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.897 100.279 39.006 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.660 99.769 37.481 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.761 101.303 37.556 1.00 0.00 H new ATOM 288 N CYS A 19 126.613 99.733 35.133 1.00 0.00 N ATOM 289 CA CYS A 19 127.717 100.437 34.410 1.00 0.00 C ATOM 290 C CYS A 19 127.481 100.361 32.902 1.00 0.00 C ATOM 291 O CYS A 19 128.076 101.094 32.140 1.00 0.00 O ATOM 292 CB CYS A 19 129.066 99.788 34.769 1.00 0.00 C ATOM 293 SG CYS A 19 129.280 99.811 36.566 1.00 0.00 S ATOM 0 H CYS A 19 126.867 98.833 35.541 1.00 0.00 H new ATOM 0 HA CYS A 19 127.735 101.485 34.710 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.099 98.763 34.400 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.882 100.327 34.287 1.00 0.00 H new ATOM 298 N GLY A 20 126.608 99.494 32.464 1.00 0.00 N ATOM 299 CA GLY A 20 126.323 99.386 31.000 1.00 0.00 C ATOM 300 C GLY A 20 127.629 99.441 30.202 1.00 0.00 C ATOM 301 O GLY A 20 128.594 98.775 30.522 1.00 0.00 O ATOM 0 H GLY A 20 126.078 98.854 33.056 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.800 98.453 30.792 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.664 100.197 30.689 1.00 0.00 H new ATOM 305 N GLU A 21 127.663 100.234 29.167 1.00 0.00 N ATOM 306 CA GLU A 21 128.899 100.341 28.343 1.00 0.00 C ATOM 307 C GLU A 21 129.868 101.342 28.979 1.00 0.00 C ATOM 308 O GLU A 21 131.004 101.460 28.566 1.00 0.00 O ATOM 309 CB GLU A 21 128.530 100.818 26.937 1.00 0.00 C ATOM 310 CG GLU A 21 127.342 100.006 26.415 1.00 0.00 C ATOM 311 CD GLU A 21 127.207 100.211 24.905 1.00 0.00 C ATOM 312 OE1 GLU A 21 126.186 100.732 24.486 1.00 0.00 O ATOM 313 OE2 GLU A 21 128.129 99.846 24.193 1.00 0.00 O1- ATOM 0 H GLU A 21 126.884 100.815 28.856 1.00 0.00 H new ATOM 0 HA GLU A 21 129.378 99.364 28.289 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.278 101.878 26.956 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.383 100.705 26.268 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.485 98.949 26.638 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.426 100.317 26.918 1.00 0.00 H new ATOM 320 N ARG A 22 129.431 102.071 29.974 1.00 0.00 N ATOM 321 CA ARG A 22 130.338 103.066 30.619 1.00 0.00 C ATOM 322 C ARG A 22 131.693 102.415 30.907 1.00 0.00 C ATOM 323 O ARG A 22 132.709 103.079 30.975 1.00 0.00 O ATOM 324 CB ARG A 22 129.715 103.565 31.923 1.00 0.00 C ATOM 325 CG ARG A 22 128.313 104.115 31.636 1.00 0.00 C ATOM 326 CD ARG A 22 127.802 104.900 32.847 1.00 0.00 C ATOM 327 NE ARG A 22 126.568 105.649 32.467 1.00 0.00 N ATOM 328 CZ ARG A 22 126.197 106.691 33.159 1.00 0.00 C ATOM 329 NH1 ARG A 22 125.120 107.349 32.824 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 126.901 107.075 34.188 1.00 0.00 N ATOM 0 H ARG A 22 128.491 102.021 30.366 1.00 0.00 H new ATOM 0 HA ARG A 22 130.481 103.912 29.946 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.658 102.752 32.647 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.340 104.342 32.364 1.00 0.00 H new ATOM 0 HG2 ARG A 22 128.339 104.761 30.758 1.00 0.00 H new ATOM 0 HG3 ARG A 22 127.631 103.296 31.409 1.00 0.00 H new ATOM 0 HD2 ARG A 22 127.589 104.220 33.672 1.00 0.00 H new ATOM 0 HD3 ARG A 22 128.568 105.592 33.195 1.00 0.00 H new ATOM 0 HE ARG A 22 126.014 105.346 31.666 1.00 0.00 H new ATOM 0 HH11 ARG A 22 124.568 107.048 32.021 1.00 0.00 H new ATOM 0 HH12 ARG A 22 124.831 108.163 33.366 1.00 0.00 H new ATOM 0 HH21 ARG A 22 127.741 106.561 34.452 1.00 0.00 H new ATOM 0 HH22 ARG A 22 126.611 107.890 34.729 1.00 0.00 H new ATOM 344 N GLY A 23 131.719 101.118 31.061 1.00 0.00 N ATOM 345 CA GLY A 23 133.011 100.417 31.327 1.00 0.00 C ATOM 346 C GLY A 23 133.257 100.289 32.827 1.00 0.00 C ATOM 347 O GLY A 23 133.399 101.264 33.540 1.00 0.00 O ATOM 0 H GLY A 23 130.900 100.512 31.014 1.00 0.00 H new ATOM 0 HA2 GLY A 23 132.994 99.427 30.871 1.00 0.00 H new ATOM 0 HA3 GLY A 23 133.831 100.967 30.865 1.00 0.00 H new ATOM 351 N PHE A 24 133.330 99.073 33.296 1.00 0.00 N ATOM 352 CA PHE A 24 133.589 98.800 34.735 1.00 0.00 C ATOM 353 C PHE A 24 134.867 97.935 34.780 1.00 0.00 C ATOM 354 O PHE A 24 135.449 97.677 33.743 1.00 0.00 O ATOM 355 CB PHE A 24 132.361 98.070 35.301 1.00 0.00 C ATOM 356 CG PHE A 24 132.175 96.769 34.569 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.955 95.699 34.924 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.229 96.629 33.553 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.816 94.470 34.280 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.088 95.394 32.904 1.00 0.00 C ATOM 361 CZ PHE A 24 131.882 94.319 33.269 1.00 0.00 C ATOM 0 H PHE A 24 133.217 98.236 32.724 1.00 0.00 H new ATOM 0 HA PHE A 24 133.742 99.697 35.335 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.493 97.885 36.367 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.472 98.692 35.193 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.686 95.809 35.712 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.609 97.466 33.268 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.437 93.635 34.570 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.358 95.280 32.117 1.00 0.00 H new ATOM 0 HZ PHE A 24 131.773 93.369 32.768 1.00 0.00 H new ATOM 371 N PHE A 25 135.356 97.501 35.926 1.00 0.00 N ATOM 372 CA PHE A 25 136.633 96.690 35.903 1.00 0.00 C ATOM 373 C PHE A 25 136.721 95.683 37.065 1.00 0.00 C ATOM 374 O PHE A 25 136.626 96.035 38.224 1.00 0.00 O ATOM 375 CB PHE A 25 137.833 97.645 35.984 1.00 0.00 C ATOM 376 CG PHE A 25 138.027 98.338 34.667 1.00 0.00 C ATOM 377 CD1 PHE A 25 138.955 97.834 33.762 1.00 0.00 C ATOM 378 CD2 PHE A 25 137.290 99.487 34.356 1.00 0.00 C ATOM 379 CE1 PHE A 25 139.152 98.468 32.543 1.00 0.00 C ATOM 380 CE2 PHE A 25 137.487 100.126 33.129 1.00 0.00 C ATOM 381 CZ PHE A 25 138.420 99.615 32.218 1.00 0.00 C ATOM 0 H PHE A 25 134.947 97.663 36.846 1.00 0.00 H new ATOM 0 HA PHE A 25 136.639 96.120 34.974 1.00 0.00 H new ATOM 0 HB2 PHE A 25 137.670 98.381 36.771 1.00 0.00 H new ATOM 0 HB3 PHE A 25 138.733 97.090 36.248 1.00 0.00 H new ATOM 0 HD1 PHE A 25 139.523 96.949 34.008 1.00 0.00 H new ATOM 0 HD2 PHE A 25 136.572 99.878 35.062 1.00 0.00 H new ATOM 0 HE1 PHE A 25 139.873 98.074 31.842 1.00 0.00 H new ATOM 0 HE2 PHE A 25 136.921 101.012 32.884 1.00 0.00 H new ATOM 0 HZ PHE A 25 138.574 100.105 31.268 1.00 0.00 H new ATOM 391 N TYR A 26 136.942 94.427 36.737 1.00 0.00 N ATOM 392 CA TYR A 26 137.090 93.355 37.776 1.00 0.00 C ATOM 393 C TYR A 26 137.996 92.266 37.200 1.00 0.00 C ATOM 394 O TYR A 26 137.647 91.605 36.241 1.00 0.00 O ATOM 395 CB TYR A 26 135.722 92.731 38.132 1.00 0.00 C ATOM 396 CG TYR A 26 135.019 93.592 39.141 1.00 0.00 C ATOM 397 CD1 TYR A 26 135.007 93.256 40.507 1.00 0.00 C ATOM 398 CD2 TYR A 26 134.383 94.744 38.712 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.369 94.070 41.408 1.00 0.00 C ATOM 400 CE2 TYR A 26 133.740 95.560 39.623 1.00 0.00 C ATOM 401 CZ TYR A 26 133.734 95.228 40.974 1.00 0.00 C ATOM 402 OH TYR A 26 133.094 96.040 41.867 1.00 0.00 O ATOM 0 H TYR A 26 137.027 94.096 35.776 1.00 0.00 H new ATOM 0 HA TYR A 26 137.513 93.789 38.682 1.00 0.00 H new ATOM 0 HB2 TYR A 26 135.111 92.634 37.234 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.863 91.727 38.532 1.00 0.00 H new ATOM 0 HD1 TYR A 26 135.500 92.357 40.846 1.00 0.00 H new ATOM 0 HD2 TYR A 26 134.389 95.005 37.664 1.00 0.00 H new ATOM 0 HE1 TYR A 26 134.360 93.811 42.456 1.00 0.00 H new ATOM 0 HE2 TYR A 26 133.241 96.457 39.286 1.00 0.00 H new ATOM 0 HH TYR A 26 133.673 96.798 42.093 1.00 0.00 H new ATOM 412 N THR A 27 139.154 92.070 37.767 1.00 0.00 N ATOM 413 CA THR A 27 140.068 91.020 37.237 1.00 0.00 C ATOM 414 C THR A 27 139.339 89.673 37.261 1.00 0.00 C ATOM 415 O THR A 27 138.130 89.614 37.375 1.00 0.00 O ATOM 416 CB THR A 27 141.340 90.962 38.106 1.00 0.00 C ATOM 417 OG1 THR A 27 141.912 89.663 38.064 1.00 0.00 O ATOM 418 CG2 THR A 27 140.994 91.319 39.551 1.00 0.00 C ATOM 0 H THR A 27 139.506 92.589 38.571 1.00 0.00 H new ATOM 0 HA THR A 27 140.358 91.252 36.212 1.00 0.00 H new ATOM 0 HB THR A 27 142.062 91.678 37.714 1.00 0.00 H new ATOM 0 HG1 THR A 27 142.621 89.596 38.738 1.00 0.00 H new ATOM 0 HG21 THR A 27 141.896 91.277 40.162 1.00 0.00 H new ATOM 0 HG22 THR A 27 140.578 92.326 39.587 1.00 0.00 H new ATOM 0 HG23 THR A 27 140.262 90.609 39.936 1.00 0.00 H new ATOM 426 N ASP A 28 140.060 88.596 37.156 1.00 0.00 N ATOM 427 CA ASP A 28 139.423 87.251 37.176 1.00 0.00 C ATOM 428 C ASP A 28 138.461 87.179 38.381 1.00 0.00 C ATOM 429 O ASP A 28 138.346 88.125 39.135 1.00 0.00 O ATOM 430 CB ASP A 28 140.552 86.197 37.288 1.00 0.00 C ATOM 431 CG ASP A 28 140.386 85.104 36.223 1.00 0.00 C ATOM 432 OD1 ASP A 28 140.563 83.944 36.558 1.00 0.00 O ATOM 433 OD2 ASP A 28 140.087 85.449 35.091 1.00 0.00 O1- ATOM 0 H ASP A 28 141.075 88.589 37.056 1.00 0.00 H new ATOM 0 HA ASP A 28 138.847 87.061 36.270 1.00 0.00 H new ATOM 0 HB2 ASP A 28 141.521 86.682 37.170 1.00 0.00 H new ATOM 0 HB3 ASP A 28 140.539 85.748 38.281 1.00 0.00 H new ATOM 438 N PRO A 29 137.807 86.033 38.595 1.00 0.00 N ATOM 439 CA PRO A 29 136.898 85.828 39.766 1.00 0.00 C ATOM 440 C PRO A 29 137.682 85.829 41.085 1.00 0.00 C ATOM 441 O PRO A 29 138.237 86.832 41.470 1.00 0.00 O ATOM 442 CB PRO A 29 136.256 84.454 39.530 1.00 0.00 C ATOM 443 CG PRO A 29 137.167 83.744 38.590 1.00 0.00 C ATOM 444 CD PRO A 29 137.854 84.826 37.747 1.00 0.00 C ATOM 0 HA PRO A 29 136.160 86.626 39.847 1.00 0.00 H new ATOM 0 HB2 PRO A 29 136.151 83.904 40.465 1.00 0.00 H new ATOM 0 HB3 PRO A 29 135.257 84.555 39.106 1.00 0.00 H new ATOM 0 HG2 PRO A 29 137.902 83.152 39.135 1.00 0.00 H new ATOM 0 HG3 PRO A 29 136.609 83.054 37.956 1.00 0.00 H new ATOM 0 HD2 PRO A 29 138.880 84.550 37.505 1.00 0.00 H new ATOM 0 HD3 PRO A 29 137.335 84.983 36.802 1.00 0.00 H new ATOM 452 N THR A 30 137.723 84.713 41.777 1.00 0.00 N ATOM 453 CA THR A 30 138.450 84.634 43.092 1.00 0.00 C ATOM 454 C THR A 30 139.957 84.923 42.933 1.00 0.00 C ATOM 455 O THR A 30 140.640 85.185 43.900 1.00 0.00 O ATOM 456 CB THR A 30 138.240 83.230 43.685 1.00 0.00 C ATOM 457 OG1 THR A 30 139.440 82.776 44.295 1.00 0.00 O ATOM 458 CG2 THR A 30 137.822 82.260 42.573 1.00 0.00 C ATOM 0 H THR A 30 137.279 83.842 41.485 1.00 0.00 H new ATOM 0 HA THR A 30 138.046 85.394 43.761 1.00 0.00 H new ATOM 0 HB THR A 30 137.455 83.274 44.440 1.00 0.00 H new ATOM 0 HG1 THR A 30 139.298 81.882 44.672 1.00 0.00 H new ATOM 0 HG21 THR A 30 137.674 81.266 42.994 1.00 0.00 H new ATOM 0 HG22 THR A 30 136.892 82.605 42.120 1.00 0.00 H new ATOM 0 HG23 THR A 30 138.603 82.219 41.813 1.00 0.00 H new ATOM 466 N GLU A 31 140.459 84.890 41.724 1.00 0.00 N ATOM 467 CA GLU A 31 141.915 85.170 41.455 1.00 0.00 C ATOM 468 C GLU A 31 142.664 85.648 42.708 1.00 0.00 C ATOM 469 O GLU A 31 142.392 85.234 43.827 1.00 0.00 O ATOM 470 CB GLU A 31 142.013 86.267 40.388 1.00 0.00 C ATOM 471 CG GLU A 31 141.123 87.447 40.796 1.00 0.00 C ATOM 472 CD GLU A 31 141.987 88.587 41.350 1.00 0.00 C ATOM 473 OE1 GLU A 31 143.092 88.764 40.863 1.00 0.00 O ATOM 474 OE2 GLU A 31 141.528 89.266 42.256 1.00 0.00 O1- ATOM 0 H GLU A 31 139.913 84.676 40.889 1.00 0.00 H new ATOM 0 HA GLU A 31 142.374 84.239 41.124 1.00 0.00 H new ATOM 0 HB2 GLU A 31 143.047 86.596 40.281 1.00 0.00 H new ATOM 0 HB3 GLU A 31 141.700 85.878 39.419 1.00 0.00 H new ATOM 0 HG2 GLU A 31 140.552 87.797 39.936 1.00 0.00 H new ATOM 0 HG3 GLU A 31 140.402 87.127 41.548 1.00 0.00 H new ATOM 481 N GLU A 32 143.635 86.514 42.498 1.00 0.00 N ATOM 482 CA GLU A 32 144.445 87.039 43.628 1.00 0.00 C ATOM 483 C GLU A 32 143.566 87.981 44.448 1.00 0.00 C ATOM 484 O GLU A 32 142.518 87.575 44.895 1.00 0.00 O ATOM 485 CB GLU A 32 145.702 87.762 43.094 1.00 0.00 C ATOM 486 CG GLU A 32 146.960 86.922 43.394 1.00 0.00 C ATOM 487 CD GLU A 32 147.987 87.104 42.262 1.00 0.00 C ATOM 488 OE1 GLU A 32 149.069 87.614 42.529 1.00 0.00 O ATOM 489 OE2 GLU A 32 147.671 86.725 41.142 1.00 0.00 O1- ATOM 0 H GLU A 32 143.895 86.876 41.581 1.00 0.00 H new ATOM 0 HA GLU A 32 144.788 86.222 44.263 1.00 0.00 H new ATOM 0 HB2 GLU A 32 145.610 87.924 42.020 1.00 0.00 H new ATOM 0 HB3 GLU A 32 145.791 88.744 43.558 1.00 0.00 H new ATOM 0 HG2 GLU A 32 147.395 87.228 44.345 1.00 0.00 H new ATOM 0 HG3 GLU A 32 146.692 85.870 43.490 1.00 0.00 H new ATOM 496 N GLY A 33 143.973 89.214 44.672 1.00 0.00 N ATOM 497 CA GLY A 33 143.127 90.138 45.505 1.00 0.00 C ATOM 498 C GLY A 33 142.311 91.111 44.626 1.00 0.00 C ATOM 499 O GLY A 33 142.819 91.685 43.686 1.00 0.00 O ATOM 0 H GLY A 33 144.842 89.616 44.320 1.00 0.00 H new ATOM 0 HA2 GLY A 33 142.449 89.551 46.125 1.00 0.00 H new ATOM 0 HA3 GLY A 33 143.766 90.706 46.181 1.00 0.00 H new ATOM 503 N PRO A 34 141.042 91.288 44.952 1.00 0.00 N ATOM 504 CA PRO A 34 140.089 92.193 44.229 1.00 0.00 C ATOM 505 C PRO A 34 139.995 93.578 44.874 1.00 0.00 C ATOM 506 O PRO A 34 140.522 93.779 45.944 1.00 0.00 O ATOM 507 CB PRO A 34 138.773 91.463 44.450 1.00 0.00 C ATOM 508 CG PRO A 34 138.875 90.967 45.849 1.00 0.00 C ATOM 509 CD PRO A 34 140.350 90.623 46.069 1.00 0.00 C ATOM 0 HA PRO A 34 140.377 92.369 43.193 1.00 0.00 H new ATOM 0 HB2 PRO A 34 137.919 92.129 44.323 1.00 0.00 H new ATOM 0 HB3 PRO A 34 138.646 90.643 43.743 1.00 0.00 H new ATOM 0 HG2 PRO A 34 138.542 91.726 46.557 1.00 0.00 H new ATOM 0 HG3 PRO A 34 138.244 90.091 45.999 1.00 0.00 H new ATOM 0 HD2 PRO A 34 140.705 90.988 47.033 1.00 0.00 H new ATOM 0 HD3 PRO A 34 140.515 89.546 46.056 1.00 0.00 H new ATOM 517 N ARG A 35 139.294 94.520 44.267 1.00 0.00 N ATOM 518 CA ARG A 35 139.153 95.865 44.918 1.00 0.00 C ATOM 519 C ARG A 35 138.611 95.644 46.329 1.00 0.00 C ATOM 520 O ARG A 35 138.490 96.566 47.107 1.00 0.00 O ATOM 521 CB ARG A 35 138.179 96.766 44.112 1.00 0.00 C ATOM 522 CG ARG A 35 137.368 97.703 45.039 1.00 0.00 C ATOM 523 CD ARG A 35 136.145 98.205 44.272 1.00 0.00 C ATOM 524 NE ARG A 35 136.537 98.387 42.853 1.00 0.00 N ATOM 525 CZ ARG A 35 137.283 99.398 42.520 1.00 0.00 C ATOM 526 NH1 ARG A 35 137.739 99.491 41.306 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 137.557 100.326 43.395 1.00 0.00 N ATOM 0 H ARG A 35 138.824 94.415 43.368 1.00 0.00 H new ATOM 0 HA ARG A 35 140.120 96.366 44.950 1.00 0.00 H new ATOM 0 HB2 ARG A 35 138.743 97.362 43.395 1.00 0.00 H new ATOM 0 HB3 ARG A 35 137.495 96.141 43.538 1.00 0.00 H new ATOM 0 HG2 ARG A 35 137.059 97.171 45.939 1.00 0.00 H new ATOM 0 HG3 ARG A 35 137.984 98.543 45.361 1.00 0.00 H new ATOM 0 HD2 ARG A 35 135.325 97.491 44.352 1.00 0.00 H new ATOM 0 HD3 ARG A 35 135.791 99.146 44.693 1.00 0.00 H new ATOM 0 HE ARG A 35 136.224 97.724 42.144 1.00 0.00 H new ATOM 0 HH11 ARG A 35 137.511 98.772 40.619 1.00 0.00 H new ATOM 0 HH12 ARG A 35 138.325 100.283 41.040 1.00 0.00 H new ATOM 0 HH21 ARG A 35 137.186 100.259 44.343 1.00 0.00 H new ATOM 0 HH22 ARG A 35 138.143 101.118 43.132 1.00 0.00 H new ATOM 541 N ARG A 36 138.281 94.424 46.672 1.00 0.00 N ATOM 542 CA ARG A 36 137.739 94.170 48.033 1.00 0.00 C ATOM 543 C ARG A 36 136.639 95.195 48.280 1.00 0.00 C ATOM 544 O ARG A 36 136.538 96.185 47.585 1.00 0.00 O ATOM 545 CB ARG A 36 138.834 94.326 49.108 1.00 0.00 C ATOM 546 CG ARG A 36 140.235 94.283 48.485 1.00 0.00 C ATOM 547 CD ARG A 36 140.930 92.955 48.817 1.00 0.00 C ATOM 548 NE ARG A 36 141.766 93.119 50.046 1.00 0.00 N ATOM 549 CZ ARG A 36 142.854 93.835 49.989 1.00 0.00 C ATOM 550 NH1 ARG A 36 143.610 93.983 51.049 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 143.183 94.406 48.865 1.00 0.00 N ATOM 0 H ARG A 36 138.364 93.603 46.072 1.00 0.00 H new ATOM 0 HA ARG A 36 137.358 93.150 48.094 1.00 0.00 H new ATOM 0 HB2 ARG A 36 138.697 95.270 49.636 1.00 0.00 H new ATOM 0 HB3 ARG A 36 138.737 93.531 49.847 1.00 0.00 H new ATOM 0 HG2 ARG A 36 140.163 94.402 47.404 1.00 0.00 H new ATOM 0 HG3 ARG A 36 140.831 95.116 48.858 1.00 0.00 H new ATOM 0 HD2 ARG A 36 140.187 92.173 48.972 1.00 0.00 H new ATOM 0 HD3 ARG A 36 141.554 92.640 47.980 1.00 0.00 H new ATOM 0 HE ARG A 36 141.488 92.675 50.921 1.00 0.00 H new ATOM 0 HH11 ARG A 36 143.349 93.536 51.928 1.00 0.00 H new ATOM 0 HH12 ARG A 36 144.460 94.545 50.995 1.00 0.00 H new ATOM 0 HH21 ARG A 36 142.592 94.290 48.042 1.00 0.00 H new ATOM 0 HH22 ARG A 36 144.032 94.969 48.808 1.00 0.00 H new ATOM 565 N GLY A 37 135.814 94.993 49.254 1.00 0.00 N ATOM 566 CA GLY A 37 134.734 95.998 49.504 1.00 0.00 C ATOM 567 C GLY A 37 133.418 95.491 48.917 1.00 0.00 C ATOM 568 O GLY A 37 132.544 95.028 49.621 1.00 0.00 O ATOM 0 H GLY A 37 135.829 94.192 49.885 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.624 96.170 50.575 1.00 0.00 H new ATOM 0 HA3 GLY A 37 135.001 96.954 49.053 1.00 0.00 H new ATOM 572 N ILE A 38 133.268 95.593 47.630 1.00 0.00 N ATOM 573 CA ILE A 38 132.009 95.143 46.976 1.00 0.00 C ATOM 574 C ILE A 38 131.827 93.637 47.110 1.00 0.00 C ATOM 575 O ILE A 38 130.757 93.156 47.406 1.00 0.00 O ATOM 576 CB ILE A 38 132.085 95.488 45.493 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.718 95.268 44.850 1.00 0.00 C ATOM 578 CG2 ILE A 38 133.131 94.607 44.781 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.824 95.556 43.356 1.00 0.00 C ATOM 0 H ILE A 38 133.970 95.973 46.995 1.00 0.00 H new ATOM 0 HA ILE A 38 131.168 95.642 47.458 1.00 0.00 H new ATOM 0 HB ILE A 38 132.381 96.532 45.393 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.385 94.243 45.014 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.976 95.922 45.308 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.169 94.870 43.724 1.00 0.00 H new ATOM 0 HG22 ILE A 38 134.110 94.770 45.231 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.854 93.558 44.884 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.853 95.402 42.886 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.140 96.588 43.206 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.555 94.884 42.907 1.00 0.00 H new ATOM 591 N VAL A 39 132.859 92.897 46.854 1.00 0.00 N ATOM 592 CA VAL A 39 132.768 91.430 46.910 1.00 0.00 C ATOM 593 C VAL A 39 132.504 90.954 48.335 1.00 0.00 C ATOM 594 O VAL A 39 131.508 90.317 48.613 1.00 0.00 O ATOM 595 CB VAL A 39 134.109 90.897 46.423 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.198 89.395 46.689 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.269 91.195 44.925 1.00 0.00 C ATOM 0 H VAL A 39 133.779 93.259 46.603 1.00 0.00 H new ATOM 0 HA VAL A 39 131.944 91.071 46.293 1.00 0.00 H new ATOM 0 HB VAL A 39 134.916 91.390 46.964 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.159 89.020 46.338 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.104 89.209 47.759 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.394 88.883 46.160 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.229 90.813 44.579 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.465 90.712 44.370 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.227 92.272 44.762 1.00 0.00 H new ATOM 607 N GLU A 40 133.392 91.241 49.235 1.00 0.00 N ATOM 608 CA GLU A 40 133.190 90.785 50.631 1.00 0.00 C ATOM 609 C GLU A 40 131.855 91.328 51.151 1.00 0.00 C ATOM 610 O GLU A 40 131.275 90.794 52.073 1.00 0.00 O ATOM 611 CB GLU A 40 134.342 91.289 51.495 1.00 0.00 C ATOM 612 CG GLU A 40 135.658 91.150 50.727 1.00 0.00 C ATOM 613 CD GLU A 40 136.833 91.305 51.694 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.675 90.421 51.721 1.00 0.00 O ATOM 615 OE2 GLU A 40 136.872 92.304 52.393 1.00 0.00 O1- ATOM 0 H GLU A 40 134.247 91.770 49.066 1.00 0.00 H new ATOM 0 HA GLU A 40 133.168 89.696 50.671 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.177 92.331 51.768 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.389 90.720 52.424 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.704 90.178 50.236 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.716 91.906 49.944 1.00 0.00 H new ATOM 622 N GLN A 41 131.361 92.387 50.563 1.00 0.00 N ATOM 623 CA GLN A 41 130.059 92.964 51.018 1.00 0.00 C ATOM 624 C GLN A 41 128.919 92.393 50.167 1.00 0.00 C ATOM 625 O GLN A 41 127.814 92.218 50.636 1.00 0.00 O ATOM 626 CB GLN A 41 130.095 94.486 50.865 1.00 0.00 C ATOM 627 CG GLN A 41 128.846 95.094 51.504 1.00 0.00 C ATOM 628 CD GLN A 41 129.013 96.610 51.608 1.00 0.00 C ATOM 629 OE1 GLN A 41 129.445 97.117 52.624 1.00 0.00 O ATOM 630 NE2 GLN A 41 128.686 97.362 50.593 1.00 0.00 N ATOM 0 H GLN A 41 131.803 92.878 49.786 1.00 0.00 H new ATOM 0 HA GLN A 41 129.895 92.706 52.064 1.00 0.00 H new ATOM 0 HB2 GLN A 41 130.991 94.888 51.338 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.144 94.755 49.810 1.00 0.00 H new ATOM 0 HG2 GLN A 41 127.966 94.855 50.907 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.686 94.666 52.494 1.00 0.00 H new ATOM 0 HE21 GLN A 41 128.323 96.937 49.740 1.00 0.00 H new ATOM 0 HE22 GLN A 41 128.793 98.375 50.653 1.00 0.00 H new ATOM 639 N CYS A 42 129.173 92.110 48.915 1.00 0.00 N ATOM 640 CA CYS A 42 128.099 91.557 48.031 1.00 0.00 C ATOM 641 C CYS A 42 128.095 90.030 48.106 1.00 0.00 C ATOM 642 O CYS A 42 127.061 89.409 48.249 1.00 0.00 O ATOM 643 CB CYS A 42 128.360 91.976 46.579 1.00 0.00 C ATOM 644 SG CYS A 42 128.202 93.770 46.429 1.00 0.00 S ATOM 0 H CYS A 42 130.079 92.238 48.465 1.00 0.00 H new ATOM 0 HA CYS A 42 127.136 91.944 48.365 1.00 0.00 H new ATOM 0 HB2 CYS A 42 129.358 91.662 46.273 1.00 0.00 H new ATOM 0 HB3 CYS A 42 127.652 91.481 45.914 1.00 0.00 H new ATOM 649 N CYS A 43 129.240 89.421 47.986 1.00 0.00 N ATOM 650 CA CYS A 43 129.303 87.933 48.019 1.00 0.00 C ATOM 651 C CYS A 43 128.924 87.401 49.407 1.00 0.00 C ATOM 652 O CYS A 43 128.078 86.540 49.536 1.00 0.00 O ATOM 653 CB CYS A 43 130.722 87.480 47.663 1.00 0.00 C ATOM 654 SG CYS A 43 130.773 85.673 47.560 1.00 0.00 S ATOM 0 H CYS A 43 130.138 89.890 47.866 1.00 0.00 H new ATOM 0 HA CYS A 43 128.593 87.536 47.294 1.00 0.00 H new ATOM 0 HB2 CYS A 43 131.027 87.918 46.712 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.427 87.832 48.416 1.00 0.00 H new ATOM 659 N HIS A 44 129.551 87.887 50.445 1.00 0.00 N ATOM 660 CA HIS A 44 129.228 87.382 51.816 1.00 0.00 C ATOM 661 C HIS A 44 128.036 88.147 52.402 1.00 0.00 C ATOM 662 O HIS A 44 127.411 87.698 53.342 1.00 0.00 O ATOM 663 CB HIS A 44 130.446 87.564 52.726 1.00 0.00 C ATOM 664 CG HIS A 44 131.501 86.555 52.363 1.00 0.00 C ATOM 665 ND1 HIS A 44 131.616 85.338 53.017 1.00 0.00 N ATOM 666 CD2 HIS A 44 132.497 86.568 51.415 1.00 0.00 C ATOM 667 CE1 HIS A 44 132.648 84.674 52.460 1.00 0.00 C ATOM 668 NE2 HIS A 44 133.214 85.381 51.482 1.00 0.00 N ATOM 0 H HIS A 44 130.270 88.609 50.406 1.00 0.00 H new ATOM 0 HA HIS A 44 128.970 86.325 51.749 1.00 0.00 H new ATOM 0 HB2 HIS A 44 130.843 88.574 52.622 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.155 87.442 53.769 1.00 0.00 H new ATOM 0 HD2 HIS A 44 132.691 87.376 50.725 1.00 0.00 H new ATOM 0 HE1 HIS A 44 132.975 83.692 52.768 1.00 0.00 H new ATOM 0 HE2 HIS A 44 134.008 85.107 50.904 1.00 0.00 H new ATOM 677 N SER A 45 127.713 89.297 51.862 1.00 0.00 N ATOM 678 CA SER A 45 126.558 90.086 52.401 1.00 0.00 C ATOM 679 C SER A 45 125.779 90.717 51.240 1.00 0.00 C ATOM 680 O SER A 45 126.119 90.550 50.088 1.00 0.00 O ATOM 681 CB SER A 45 127.083 91.184 53.330 1.00 0.00 C ATOM 682 OG SER A 45 127.427 90.608 54.584 1.00 0.00 O ATOM 0 H SER A 45 128.198 89.724 51.073 1.00 0.00 H new ATOM 0 HA SER A 45 125.894 89.426 52.960 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.954 91.667 52.887 1.00 0.00 H new ATOM 0 HB3 SER A 45 126.325 91.956 53.466 1.00 0.00 H new ATOM 0 HG SER A 45 127.370 89.632 54.522 1.00 0.00 H new ATOM 688 N ILE A 46 124.731 91.441 51.542 1.00 0.00 N ATOM 689 CA ILE A 46 123.915 92.085 50.466 1.00 0.00 C ATOM 690 C ILE A 46 124.389 93.535 50.286 1.00 0.00 C ATOM 691 O ILE A 46 124.683 94.218 51.247 1.00 0.00 O ATOM 692 CB ILE A 46 122.427 92.075 50.873 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.994 90.661 51.316 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.562 92.526 49.691 1.00 0.00 C ATOM 695 CD1 ILE A 46 121.596 89.821 50.100 1.00 0.00 C ATOM 0 H ILE A 46 124.403 91.615 52.492 1.00 0.00 H new ATOM 0 HA ILE A 46 124.034 91.538 49.531 1.00 0.00 H new ATOM 0 HB ILE A 46 122.293 92.762 51.709 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.810 90.175 51.851 1.00 0.00 H new ATOM 0 HG13 ILE A 46 121.155 90.731 52.009 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.512 92.517 49.984 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.848 93.536 49.395 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.710 91.847 48.852 1.00 0.00 H new ATOM 0 HD11 ILE A 46 121.293 88.827 50.428 1.00 0.00 H new ATOM 0 HD12 ILE A 46 120.766 90.301 49.582 1.00 0.00 H new ATOM 0 HD13 ILE A 46 122.446 89.736 49.422 1.00 0.00 H new ATOM 707 N CYS A 47 124.470 94.008 49.060 1.00 0.00 N ATOM 708 CA CYS A 47 124.934 95.417 48.805 1.00 0.00 C ATOM 709 C CYS A 47 123.894 96.167 47.962 1.00 0.00 C ATOM 710 O CYS A 47 122.968 95.585 47.433 1.00 0.00 O ATOM 711 CB CYS A 47 126.274 95.396 48.066 1.00 0.00 C ATOM 712 SG CYS A 47 126.247 94.126 46.783 1.00 0.00 S ATOM 0 H CYS A 47 124.234 93.477 48.222 1.00 0.00 H new ATOM 0 HA CYS A 47 125.056 95.927 49.760 1.00 0.00 H new ATOM 0 HB2 CYS A 47 126.469 96.371 47.620 1.00 0.00 H new ATOM 0 HB3 CYS A 47 127.084 95.199 48.768 1.00 0.00 H new ATOM 717 N SER A 48 124.038 97.463 47.857 1.00 0.00 N ATOM 718 CA SER A 48 123.058 98.278 47.077 1.00 0.00 C ATOM 719 C SER A 48 123.460 98.356 45.597 1.00 0.00 C ATOM 720 O SER A 48 124.568 98.044 45.213 1.00 0.00 O ATOM 721 CB SER A 48 123.011 99.695 47.675 1.00 0.00 C ATOM 722 OG SER A 48 121.665 100.152 47.684 1.00 0.00 O ATOM 0 H SER A 48 124.798 97.995 48.281 1.00 0.00 H new ATOM 0 HA SER A 48 122.077 97.807 47.136 1.00 0.00 H new ATOM 0 HB2 SER A 48 123.413 99.689 48.688 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.634 100.371 47.089 1.00 0.00 H new ATOM 0 HG SER A 48 121.628 101.054 48.066 1.00 0.00 H new ATOM 728 N LEU A 49 122.554 98.810 44.778 1.00 0.00 N ATOM 729 CA LEU A 49 122.830 98.979 43.336 1.00 0.00 C ATOM 730 C LEU A 49 123.534 100.322 43.189 1.00 0.00 C ATOM 731 O LEU A 49 124.441 100.503 42.402 1.00 0.00 O ATOM 732 CB LEU A 49 121.468 98.937 42.602 1.00 0.00 C ATOM 733 CG LEU A 49 121.391 99.951 41.454 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.486 99.677 40.408 1.00 0.00 C ATOM 735 CD2 LEU A 49 120.012 99.839 40.810 1.00 0.00 C ATOM 0 H LEU A 49 121.611 99.076 45.061 1.00 0.00 H new ATOM 0 HA LEU A 49 123.465 98.202 42.911 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.301 97.934 42.209 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.668 99.138 43.315 1.00 0.00 H new ATOM 0 HG LEU A 49 121.547 100.957 41.843 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.412 100.409 39.603 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.466 99.754 40.879 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.357 98.675 40.000 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.935 100.552 39.989 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.870 98.828 40.427 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.245 100.056 41.553 1.00 0.00 H new ATOM 747 N GLU A 50 123.111 101.252 43.979 1.00 0.00 N ATOM 748 CA GLU A 50 123.710 102.602 43.962 1.00 0.00 C ATOM 749 C GLU A 50 125.184 102.466 44.248 1.00 0.00 C ATOM 750 O GLU A 50 126.006 103.280 43.877 1.00 0.00 O ATOM 751 CB GLU A 50 123.045 103.402 45.064 1.00 0.00 C ATOM 752 CG GLU A 50 121.547 103.472 44.787 1.00 0.00 C ATOM 753 CD GLU A 50 120.909 104.544 45.669 1.00 0.00 C ATOM 754 OE1 GLU A 50 121.510 104.895 46.672 1.00 0.00 O ATOM 755 OE2 GLU A 50 119.827 104.996 45.331 1.00 0.00 O1- ATOM 0 H GLU A 50 122.356 101.131 44.654 1.00 0.00 H new ATOM 0 HA GLU A 50 123.572 103.096 43.000 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.228 102.935 46.032 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.468 104.406 45.109 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.372 103.701 43.736 1.00 0.00 H new ATOM 0 HG3 GLU A 50 121.086 102.504 44.983 1.00 0.00 H new ATOM 762 N GLN A 51 125.496 101.419 44.916 1.00 0.00 N ATOM 763 CA GLN A 51 126.905 101.136 45.284 1.00 0.00 C ATOM 764 C GLN A 51 127.662 100.612 44.055 1.00 0.00 C ATOM 765 O GLN A 51 128.864 100.699 43.986 1.00 0.00 O ATOM 766 CB GLN A 51 126.919 100.097 46.409 1.00 0.00 C ATOM 767 CG GLN A 51 128.339 99.570 46.623 1.00 0.00 C ATOM 768 CD GLN A 51 128.424 98.860 47.973 1.00 0.00 C ATOM 769 OE1 GLN A 51 129.493 98.698 48.525 1.00 0.00 O ATOM 770 NE2 GLN A 51 127.330 98.423 48.527 1.00 0.00 N ATOM 0 H GLN A 51 124.824 100.722 45.236 1.00 0.00 H new ATOM 0 HA GLN A 51 127.396 102.046 45.628 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.546 100.543 47.331 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.251 99.272 46.161 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.607 98.882 45.821 1.00 0.00 H new ATOM 0 HG3 GLN A 51 129.052 100.393 46.588 1.00 0.00 H new ATOM 0 HE21 GLN A 51 126.433 98.560 48.062 1.00 0.00 H new ATOM 0 HE22 GLN A 51 127.370 97.944 49.426 1.00 0.00 H new ATOM 779 N LEU A 52 126.970 100.086 43.077 1.00 0.00 N ATOM 780 CA LEU A 52 127.655 99.588 41.852 1.00 0.00 C ATOM 781 C LEU A 52 127.859 100.773 40.913 1.00 0.00 C ATOM 782 O LEU A 52 128.825 100.866 40.190 1.00 0.00 O ATOM 783 CB LEU A 52 126.720 98.601 41.147 1.00 0.00 C ATOM 784 CG LEU A 52 126.310 97.476 42.067 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.314 96.601 41.312 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.524 96.655 42.463 1.00 0.00 C ATOM 0 H LEU A 52 125.955 99.981 43.077 1.00 0.00 H new ATOM 0 HA LEU A 52 128.603 99.116 42.108 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.832 99.127 40.795 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.217 98.191 40.268 1.00 0.00 H new ATOM 0 HG LEU A 52 125.859 97.874 42.976 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.997 95.776 41.951 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.446 97.197 41.031 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.787 96.203 40.414 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.216 95.847 43.126 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.986 96.235 41.570 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.243 97.293 42.978 1.00 0.00 H new ATOM 798 N GLU A 53 126.915 101.667 40.908 1.00 0.00 N ATOM 799 CA GLU A 53 126.981 102.842 40.018 1.00 0.00 C ATOM 800 C GLU A 53 128.203 103.699 40.365 1.00 0.00 C ATOM 801 O GLU A 53 128.651 104.505 39.574 1.00 0.00 O ATOM 802 CB GLU A 53 125.677 103.628 40.209 1.00 0.00 C ATOM 803 CG GLU A 53 124.641 103.207 39.157 1.00 0.00 C ATOM 804 CD GLU A 53 123.366 104.031 39.340 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.294 103.453 39.262 1.00 0.00 O ATOM 806 OE2 GLU A 53 123.482 105.225 39.558 1.00 0.00 O1- ATOM 0 H GLU A 53 126.084 101.627 41.498 1.00 0.00 H new ATOM 0 HA GLU A 53 127.087 102.541 38.976 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.282 103.452 41.209 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.874 104.697 40.128 1.00 0.00 H new ATOM 0 HG2 GLU A 53 125.043 103.357 38.155 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.418 102.145 39.256 1.00 0.00 H new ATOM 813 N ASN A 54 128.750 103.521 41.528 1.00 0.00 N ATOM 814 CA ASN A 54 129.950 104.314 41.915 1.00 0.00 C ATOM 815 C ASN A 54 131.193 103.604 41.380 1.00 0.00 C ATOM 816 O ASN A 54 132.295 104.111 41.446 1.00 0.00 O ATOM 817 CB ASN A 54 130.028 104.411 43.441 1.00 0.00 C ATOM 818 CG ASN A 54 128.655 104.791 43.997 1.00 0.00 C ATOM 819 OD1 ASN A 54 127.734 105.054 43.250 1.00 0.00 O ATOM 820 ND2 ASN A 54 128.480 104.832 45.289 1.00 0.00 N ATOM 0 H ASN A 54 128.420 102.860 42.232 1.00 0.00 H new ATOM 0 HA ASN A 54 129.887 105.319 41.499 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.352 103.459 43.861 1.00 0.00 H new ATOM 0 HB3 ASN A 54 130.769 105.156 43.732 1.00 0.00 H new ATOM 0 HD21 ASN A 54 127.569 105.085 45.673 1.00 0.00 H new ATOM 0 HD22 ASN A 54 129.254 104.611 45.916 1.00 0.00 H new ATOM 827 N TYR A 55 131.017 102.413 40.873 1.00 0.00 N ATOM 828 CA TYR A 55 132.172 101.628 40.356 1.00 0.00 C ATOM 829 C TYR A 55 132.388 101.959 38.882 1.00 0.00 C ATOM 830 O TYR A 55 133.501 102.095 38.412 1.00 0.00 O ATOM 831 CB TYR A 55 131.880 100.130 40.500 1.00 0.00 C ATOM 832 CG TYR A 55 132.020 99.750 41.939 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.320 100.436 42.912 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.880 98.741 42.289 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.484 100.110 44.246 1.00 0.00 C ATOM 836 CE2 TYR A 55 133.041 98.399 43.624 1.00 0.00 C ATOM 837 CZ TYR A 55 132.343 99.086 44.612 1.00 0.00 C ATOM 838 OH TYR A 55 132.511 98.764 45.943 1.00 0.00 O ATOM 0 H TYR A 55 130.113 101.947 40.795 1.00 0.00 H new ATOM 0 HA TYR A 55 133.066 101.881 40.925 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.874 99.906 40.146 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.570 99.550 39.887 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.643 101.229 42.631 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.432 98.213 41.526 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.941 100.655 45.004 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.710 97.597 43.897 1.00 0.00 H new ATOM 0 HH TYR A 55 131.686 98.962 46.434 1.00 0.00 H new ATOM 848 N CYS A 56 131.319 102.082 38.154 1.00 0.00 N ATOM 849 CA CYS A 56 131.413 102.396 36.705 1.00 0.00 C ATOM 850 C CYS A 56 132.341 103.597 36.488 1.00 0.00 C ATOM 851 O CYS A 56 132.013 104.715 36.832 1.00 0.00 O ATOM 852 CB CYS A 56 130.005 102.721 36.196 1.00 0.00 C ATOM 853 SG CYS A 56 128.811 101.702 37.098 1.00 0.00 S ATOM 0 H CYS A 56 130.368 101.977 38.507 1.00 0.00 H new ATOM 0 HA CYS A 56 131.822 101.545 36.161 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.785 103.779 36.342 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.936 102.526 35.126 1.00 0.00 H new ATOM 858 N ASN A 57 133.492 103.375 35.917 1.00 0.00 N ATOM 859 CA ASN A 57 134.431 104.506 35.675 1.00 0.00 C ATOM 860 C ASN A 57 134.642 105.282 36.977 1.00 0.00 C ATOM 861 O ASN A 57 135.524 104.906 37.731 1.00 0.00 O ATOM 862 CB ASN A 57 133.841 105.437 34.613 1.00 0.00 C ATOM 863 CG ASN A 57 134.833 106.560 34.306 1.00 0.00 C ATOM 864 OD1 ASN A 57 136.022 106.406 34.500 1.00 0.00 O ATOM 865 ND2 ASN A 57 134.391 107.692 33.830 1.00 0.00 N ATOM 866 OXT ASN A 57 133.917 106.239 37.197 1.00 0.00 O ATOM 0 H ASN A 57 133.823 102.461 35.608 1.00 0.00 H new ATOM 0 HA ASN A 57 135.388 104.118 35.327 1.00 0.00 H new ATOM 0 HB2 ASN A 57 133.620 104.876 33.705 1.00 0.00 H new ATOM 0 HB3 ASN A 57 132.899 105.857 34.966 1.00 0.00 H new ATOM 0 HD21 ASN A 57 135.044 108.447 33.621 1.00 0.00 H new ATOM 0 HD22 ASN A 57 133.392 107.822 33.667 1.00 0.00 H new