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= -0.628 K(o=-2.3,f=-0.98) USER MOD Set 1.2: A 51 GLN : amide:sc= -1.69 K(o=-2.3,f=-1.8!) USER MOD Single : A 1 PHE N :NH3+ -168:sc= 0.728 (180deg=0.486) USER MOD Single : A 3 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.0059) USER MOD Single : A 4 GLN : amide:sc= -0.275 X(o=-0.27,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.385 K(o=-0.39,f=-3.2!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0384 USER MOD Single : A 10 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.0041) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.113 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=-0.00043) USER MOD Single : A 45 SER OG : rot 22:sc= 0.00409 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.5! C(o=-2.5!,f=-8.6!) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.549 USER MOD Single : A 57 ASN : amide:sc= -0.0214 K(o=-0.021,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.607 90.969 39.161 1.00 0.00 N ATOM 2 CA PHE A 1 120.361 90.982 40.457 1.00 0.00 C ATOM 3 C PHE A 1 119.496 91.579 41.585 1.00 0.00 C ATOM 4 O PHE A 1 119.977 92.377 42.373 1.00 0.00 O ATOM 5 CB PHE A 1 121.635 91.844 40.299 1.00 0.00 C ATOM 6 CG PHE A 1 121.273 93.322 40.202 1.00 0.00 C ATOM 7 CD1 PHE A 1 121.456 94.181 41.298 1.00 0.00 C ATOM 8 CD2 PHE A 1 120.752 93.832 39.007 1.00 0.00 C ATOM 9 CE1 PHE A 1 121.111 95.540 41.195 1.00 0.00 C ATOM 10 CE2 PHE A 1 120.409 95.189 38.901 1.00 0.00 C ATOM 11 CZ PHE A 1 120.587 96.043 39.996 1.00 0.00 C ATOM 0 H1 PHE A 1 120.118 90.386 38.468 1.00 0.00 H new ATOM 0 H2 PHE A 1 118.658 90.571 39.315 1.00 0.00 H new ATOM 0 H3 PHE A 1 119.521 91.940 38.800 1.00 0.00 H new ATOM 0 HA PHE A 1 120.624 89.956 40.714 1.00 0.00 H new ATOM 0 HB2 PHE A 1 122.299 91.681 41.148 1.00 0.00 H new ATOM 0 HB3 PHE A 1 122.180 91.538 39.406 1.00 0.00 H new ATOM 0 HD1 PHE A 1 121.863 93.797 42.222 1.00 0.00 H new ATOM 0 HD2 PHE A 1 120.613 93.176 38.160 1.00 0.00 H new ATOM 0 HE1 PHE A 1 121.250 96.197 42.041 1.00 0.00 H new ATOM 0 HE2 PHE A 1 120.008 95.574 37.975 1.00 0.00 H new ATOM 0 HZ PHE A 1 120.321 97.087 39.917 1.00 0.00 H new ATOM 23 N VAL A 2 118.240 91.198 41.718 1.00 0.00 N ATOM 24 CA VAL A 2 117.426 91.793 42.814 1.00 0.00 C ATOM 25 C VAL A 2 118.172 91.612 44.145 1.00 0.00 C ATOM 26 O VAL A 2 118.002 90.632 44.842 1.00 0.00 O ATOM 27 CB VAL A 2 116.049 91.106 42.856 1.00 0.00 C ATOM 28 CG1 VAL A 2 116.214 89.592 42.668 1.00 0.00 C ATOM 29 CG2 VAL A 2 115.343 91.397 44.196 1.00 0.00 C ATOM 0 H VAL A 2 117.761 90.518 41.127 1.00 0.00 H new ATOM 0 HA VAL A 2 117.274 92.858 42.640 1.00 0.00 H new ATOM 0 HB VAL A 2 115.436 91.502 42.046 1.00 0.00 H new ATOM 0 HG11 VAL A 2 115.235 89.113 42.699 1.00 0.00 H new ATOM 0 HG12 VAL A 2 116.685 89.394 41.705 1.00 0.00 H new ATOM 0 HG13 VAL A 2 116.839 89.192 43.466 1.00 0.00 H new ATOM 0 HG21 VAL A 2 114.371 90.904 44.210 1.00 0.00 H new ATOM 0 HG22 VAL A 2 115.952 91.020 45.018 1.00 0.00 H new ATOM 0 HG23 VAL A 2 115.206 92.472 44.309 1.00 0.00 H new ATOM 39 N ASN A 3 118.998 92.559 44.502 1.00 0.00 N ATOM 40 CA ASN A 3 119.751 92.449 45.782 1.00 0.00 C ATOM 41 C ASN A 3 120.366 91.048 45.900 1.00 0.00 C ATOM 42 O ASN A 3 120.973 90.552 44.978 1.00 0.00 O ATOM 43 CB ASN A 3 118.789 92.710 46.948 1.00 0.00 C ATOM 44 CG ASN A 3 117.774 93.776 46.543 1.00 0.00 C ATOM 45 OD1 ASN A 3 116.588 93.606 46.737 1.00 0.00 O ATOM 46 ND2 ASN A 3 118.193 94.873 45.984 1.00 0.00 N ATOM 0 H ASN A 3 119.183 93.404 43.961 1.00 0.00 H new ATOM 0 HA ASN A 3 120.555 93.184 45.807 1.00 0.00 H new ATOM 0 HB2 ASN A 3 118.275 91.789 47.222 1.00 0.00 H new ATOM 0 HB3 ASN A 3 119.346 93.038 47.826 1.00 0.00 H new ATOM 0 HD21 ASN A 3 117.525 95.592 45.708 1.00 0.00 H new ATOM 0 HD22 ASN A 3 119.190 95.014 45.822 1.00 0.00 H new ATOM 53 N GLN A 4 120.202 90.414 47.030 1.00 0.00 N ATOM 54 CA GLN A 4 120.760 89.047 47.229 1.00 0.00 C ATOM 55 C GLN A 4 122.293 89.096 47.135 1.00 0.00 C ATOM 56 O GLN A 4 122.870 90.071 46.699 1.00 0.00 O ATOM 57 CB GLN A 4 120.136 88.086 46.175 1.00 0.00 C ATOM 58 CG GLN A 4 121.179 87.552 45.181 1.00 0.00 C ATOM 59 CD GLN A 4 120.482 86.697 44.122 1.00 0.00 C ATOM 60 OE1 GLN A 4 120.893 85.586 43.853 1.00 0.00 O ATOM 61 NE2 GLN A 4 119.432 87.170 43.507 1.00 0.00 N ATOM 0 H GLN A 4 119.699 90.791 47.833 1.00 0.00 H new ATOM 0 HA GLN A 4 120.507 88.669 48.220 1.00 0.00 H new ATOM 0 HB2 GLN A 4 119.663 87.248 46.686 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.352 88.610 45.629 1.00 0.00 H new ATOM 0 HG2 GLN A 4 121.703 88.382 44.707 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.928 86.960 45.706 1.00 0.00 H new ATOM 0 HE21 GLN A 4 119.086 88.103 43.732 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.957 86.607 42.801 1.00 0.00 H new ATOM 70 N HIS A 5 122.949 88.045 47.550 1.00 0.00 N ATOM 71 CA HIS A 5 124.437 88.023 47.496 1.00 0.00 C ATOM 72 C HIS A 5 124.896 87.776 46.057 1.00 0.00 C ATOM 73 O HIS A 5 124.298 87.013 45.324 1.00 0.00 O ATOM 74 CB HIS A 5 124.970 86.915 48.414 1.00 0.00 C ATOM 75 CG HIS A 5 124.091 86.807 49.630 1.00 0.00 C ATOM 76 ND1 HIS A 5 123.985 87.834 50.558 1.00 0.00 N ATOM 77 CD2 HIS A 5 123.270 85.805 50.082 1.00 0.00 C ATOM 78 CE1 HIS A 5 123.128 87.428 51.514 1.00 0.00 C ATOM 79 NE2 HIS A 5 122.666 86.202 51.270 1.00 0.00 N ATOM 0 H HIS A 5 122.517 87.200 47.924 1.00 0.00 H new ATOM 0 HA HIS A 5 124.826 88.983 47.834 1.00 0.00 H new ATOM 0 HB2 HIS A 5 124.990 85.964 47.881 1.00 0.00 H new ATOM 0 HB3 HIS A 5 125.995 87.136 48.711 1.00 0.00 H new ATOM 0 HD2 HIS A 5 123.117 84.855 49.591 1.00 0.00 H new ATOM 0 HE1 HIS A 5 122.850 88.022 52.372 1.00 0.00 H new ATOM 0 HE2 HIS A 5 122.007 85.667 51.836 1.00 0.00 H new ATOM 88 N LEU A 6 125.957 88.422 45.653 1.00 0.00 N ATOM 89 CA LEU A 6 126.487 88.257 44.263 1.00 0.00 C ATOM 90 C LEU A 6 127.996 87.957 44.348 1.00 0.00 C ATOM 91 O LEU A 6 128.752 88.702 44.940 1.00 0.00 O ATOM 92 CB LEU A 6 126.237 89.577 43.488 1.00 0.00 C ATOM 93 CG LEU A 6 125.225 89.412 42.333 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.966 88.643 42.792 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.827 90.817 41.830 1.00 0.00 C ATOM 0 H LEU A 6 126.489 89.068 46.236 1.00 0.00 H new ATOM 0 HA LEU A 6 125.990 87.437 43.745 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.871 90.335 44.180 1.00 0.00 H new ATOM 0 HB3 LEU A 6 127.183 89.942 43.087 1.00 0.00 H new ATOM 0 HG LEU A 6 125.689 88.835 41.533 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.275 88.544 41.955 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.253 87.652 43.144 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.481 89.189 43.601 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.112 90.722 41.013 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.374 91.380 42.645 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.714 91.342 41.476 1.00 0.00 H new ATOM 107 N CYS A 7 128.429 86.868 43.755 1.00 0.00 N ATOM 108 CA CYS A 7 129.885 86.499 43.784 1.00 0.00 C ATOM 109 C CYS A 7 130.363 86.235 42.354 1.00 0.00 C ATOM 110 O CYS A 7 129.622 86.395 41.408 1.00 0.00 O ATOM 111 CB CYS A 7 130.074 85.228 44.619 1.00 0.00 C ATOM 112 SG CYS A 7 129.257 85.428 46.220 1.00 0.00 S ATOM 0 H CYS A 7 127.833 86.214 43.248 1.00 0.00 H new ATOM 0 HA CYS A 7 130.460 87.314 44.224 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.658 84.369 44.092 1.00 0.00 H new ATOM 0 HB3 CYS A 7 131.136 85.030 44.763 1.00 0.00 H new ATOM 117 N GLY A 8 131.597 85.837 42.185 1.00 0.00 N ATOM 118 CA GLY A 8 132.116 85.566 40.808 1.00 0.00 C ATOM 119 C GLY A 8 131.701 86.704 39.872 1.00 0.00 C ATOM 120 O GLY A 8 131.521 87.828 40.295 1.00 0.00 O ATOM 0 H GLY A 8 132.268 85.688 42.938 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.202 85.476 40.829 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.724 84.618 40.440 1.00 0.00 H new ATOM 124 N SER A 9 131.540 86.427 38.605 1.00 0.00 N ATOM 125 CA SER A 9 131.126 87.508 37.667 1.00 0.00 C ATOM 126 C SER A 9 129.628 87.772 37.835 1.00 0.00 C ATOM 127 O SER A 9 129.123 88.780 37.389 1.00 0.00 O ATOM 128 CB SER A 9 131.439 87.112 36.225 1.00 0.00 C ATOM 129 OG SER A 9 131.136 85.737 36.031 1.00 0.00 O ATOM 0 H SER A 9 131.676 85.508 38.183 1.00 0.00 H new ATOM 0 HA SER A 9 131.682 88.417 37.896 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.858 87.724 35.535 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.491 87.297 36.007 1.00 0.00 H new ATOM 0 HG SER A 9 131.336 85.485 35.105 1.00 0.00 H new ATOM 135 N HIS A 10 128.905 86.904 38.509 1.00 0.00 N ATOM 136 CA HIS A 10 127.449 87.186 38.719 1.00 0.00 C ATOM 137 C HIS A 10 127.374 88.590 39.293 1.00 0.00 C ATOM 138 O HIS A 10 126.397 89.299 39.153 1.00 0.00 O ATOM 139 CB HIS A 10 126.840 86.188 39.711 1.00 0.00 C ATOM 140 CG HIS A 10 126.704 84.845 39.049 1.00 0.00 C ATOM 141 ND1 HIS A 10 125.523 84.114 39.088 1.00 0.00 N ATOM 142 CD2 HIS A 10 127.593 84.083 38.330 1.00 0.00 C ATOM 143 CE1 HIS A 10 125.733 82.969 38.410 1.00 0.00 C ATOM 144 NE2 HIS A 10 126.976 82.904 37.930 1.00 0.00 N ATOM 0 H HIS A 10 129.251 86.034 38.913 1.00 0.00 H new ATOM 0 HA HIS A 10 126.894 87.096 37.785 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.471 86.107 40.596 1.00 0.00 H new ATOM 0 HB3 HIS A 10 125.865 86.541 40.046 1.00 0.00 H new ATOM 0 HD2 HIS A 10 128.614 84.358 38.110 1.00 0.00 H new ATOM 0 HE1 HIS A 10 124.988 82.199 38.272 1.00 0.00 H new ATOM 0 HE2 HIS A 10 127.387 82.147 37.384 1.00 0.00 H new ATOM 153 N LEU A 11 128.452 88.999 39.901 1.00 0.00 N ATOM 154 CA LEU A 11 128.546 90.345 40.454 1.00 0.00 C ATOM 155 C LEU A 11 128.906 91.269 39.299 1.00 0.00 C ATOM 156 O LEU A 11 128.259 92.268 39.053 1.00 0.00 O ATOM 157 CB LEU A 11 129.652 90.341 41.497 1.00 0.00 C ATOM 158 CG LEU A 11 129.989 91.764 41.903 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.711 92.542 42.237 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.920 91.731 43.114 1.00 0.00 C ATOM 0 H LEU A 11 129.286 88.427 40.033 1.00 0.00 H new ATOM 0 HA LEU A 11 127.617 90.674 40.920 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.337 89.770 42.370 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.538 89.849 41.097 1.00 0.00 H new ATOM 0 HG LEU A 11 130.487 92.268 41.074 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.970 93.560 42.526 1.00 0.00 H new ATOM 0 HD12 LEU A 11 128.061 92.567 41.362 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.192 92.052 43.061 1.00 0.00 H new ATOM 0 HD21 LEU A 11 131.166 92.750 43.411 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.424 91.222 43.940 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.835 91.197 42.855 1.00 0.00 H new ATOM 172 N VAL A 12 129.930 90.913 38.568 1.00 0.00 N ATOM 173 CA VAL A 12 130.341 91.732 37.397 1.00 0.00 C ATOM 174 C VAL A 12 129.118 92.080 36.589 1.00 0.00 C ATOM 175 O VAL A 12 128.937 93.199 36.154 1.00 0.00 O ATOM 176 CB VAL A 12 131.247 90.906 36.467 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.321 91.589 35.083 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.638 90.777 37.071 1.00 0.00 C ATOM 0 H VAL A 12 130.501 90.084 38.736 1.00 0.00 H new ATOM 0 HA VAL A 12 130.858 92.619 37.763 1.00 0.00 H new ATOM 0 HB VAL A 12 130.830 89.906 36.349 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.962 91.005 34.423 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.321 91.652 34.654 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.732 92.592 35.194 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.271 90.191 36.405 1.00 0.00 H new ATOM 0 HG22 VAL A 12 133.071 91.769 37.203 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.570 90.279 38.038 1.00 0.00 H new ATOM 188 N GLU A 13 128.313 91.106 36.321 1.00 0.00 N ATOM 189 CA GLU A 13 127.150 91.356 35.480 1.00 0.00 C ATOM 190 C GLU A 13 126.432 92.587 35.965 1.00 0.00 C ATOM 191 O GLU A 13 126.299 93.553 35.257 1.00 0.00 O ATOM 192 CB GLU A 13 126.202 90.178 35.535 1.00 0.00 C ATOM 193 CG GLU A 13 125.293 90.221 34.308 1.00 0.00 C ATOM 194 CD GLU A 13 124.129 89.244 34.491 1.00 0.00 C ATOM 195 OE1 GLU A 13 124.124 88.227 33.817 1.00 0.00 O ATOM 196 OE2 GLU A 13 123.263 89.530 35.299 1.00 0.00 O1- ATOM 0 H GLU A 13 128.418 90.147 36.653 1.00 0.00 H new ATOM 0 HA GLU A 13 127.485 91.501 34.453 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.762 89.243 35.557 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.607 90.215 36.447 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.912 91.232 34.162 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.861 89.962 33.414 1.00 0.00 H new ATOM 203 N ALA A 14 125.992 92.552 37.190 1.00 0.00 N ATOM 204 CA ALA A 14 125.279 93.717 37.758 1.00 0.00 C ATOM 205 C ALA A 14 126.044 94.969 37.382 1.00 0.00 C ATOM 206 O ALA A 14 125.550 95.801 36.654 1.00 0.00 O ATOM 207 CB ALA A 14 125.254 93.579 39.281 1.00 0.00 C ATOM 0 H ALA A 14 126.099 91.759 37.823 1.00 0.00 H new ATOM 0 HA ALA A 14 124.259 93.771 37.376 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.731 94.431 39.715 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.738 92.659 39.555 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.275 93.548 39.660 1.00 0.00 H new ATOM 213 N LEU A 15 127.258 95.080 37.830 1.00 0.00 N ATOM 214 CA LEU A 15 128.083 96.260 37.471 1.00 0.00 C ATOM 215 C LEU A 15 127.934 96.537 35.974 1.00 0.00 C ATOM 216 O LEU A 15 127.747 97.661 35.554 1.00 0.00 O ATOM 217 CB LEU A 15 129.550 95.948 37.785 1.00 0.00 C ATOM 218 CG LEU A 15 129.761 95.892 39.306 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.942 94.972 39.629 1.00 0.00 C ATOM 220 CD2 LEU A 15 130.053 97.300 39.848 1.00 0.00 C ATOM 0 H LEU A 15 127.718 94.399 38.434 1.00 0.00 H new ATOM 0 HA LEU A 15 127.759 97.132 38.038 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.832 94.996 37.335 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.194 96.711 37.348 1.00 0.00 H new ATOM 0 HG LEU A 15 128.856 95.505 39.774 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.089 94.934 40.708 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.735 93.969 39.256 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.844 95.357 39.153 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.201 97.251 40.927 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.953 97.692 39.375 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.212 97.957 39.627 1.00 0.00 H new ATOM 232 N TYR A 16 127.991 95.509 35.168 1.00 0.00 N ATOM 233 CA TYR A 16 127.826 95.714 33.707 1.00 0.00 C ATOM 234 C TYR A 16 126.465 96.387 33.498 1.00 0.00 C ATOM 235 O TYR A 16 126.341 97.378 32.807 1.00 0.00 O ATOM 236 CB TYR A 16 127.942 94.338 32.976 1.00 0.00 C ATOM 237 CG TYR A 16 126.832 94.069 31.966 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.479 95.038 31.049 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.191 92.827 31.934 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.489 94.794 30.099 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.192 92.570 30.988 1.00 0.00 C ATOM 242 CZ TYR A 16 124.840 93.557 30.067 1.00 0.00 C ATOM 243 OH TYR A 16 123.859 93.312 29.128 1.00 0.00 O ATOM 0 H TYR A 16 128.144 94.544 35.460 1.00 0.00 H new ATOM 0 HA TYR A 16 128.602 96.354 33.287 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.903 94.292 32.463 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.940 93.543 33.721 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.976 95.997 31.068 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.468 92.061 32.643 1.00 0.00 H new ATOM 0 HE1 TYR A 16 125.223 95.561 29.387 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.695 91.611 30.971 1.00 0.00 H new ATOM 0 HH TYR A 16 123.513 92.403 29.246 1.00 0.00 H new ATOM 253 N LEU A 17 125.448 95.845 34.088 1.00 0.00 N ATOM 254 CA LEU A 17 124.086 96.424 33.929 1.00 0.00 C ATOM 255 C LEU A 17 124.077 97.897 34.293 1.00 0.00 C ATOM 256 O LEU A 17 123.757 98.758 33.496 1.00 0.00 O ATOM 257 CB LEU A 17 123.125 95.724 34.882 1.00 0.00 C ATOM 258 CG LEU A 17 123.286 94.225 34.755 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.260 93.512 35.641 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.118 93.781 33.311 1.00 0.00 C ATOM 0 H LEU A 17 125.497 95.017 34.681 1.00 0.00 H new ATOM 0 HA LEU A 17 123.788 96.293 32.889 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.323 96.035 35.908 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.098 96.010 34.654 1.00 0.00 H new ATOM 0 HG LEU A 17 124.292 93.961 35.081 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.383 92.433 35.544 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.413 93.802 36.680 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.254 93.792 35.330 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.238 92.700 33.247 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.124 94.057 32.959 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.871 94.267 32.691 1.00 0.00 H new ATOM 272 N VAL A 18 124.375 98.172 35.521 1.00 0.00 N ATOM 273 CA VAL A 18 124.342 99.561 36.012 1.00 0.00 C ATOM 274 C VAL A 18 125.370 100.411 35.250 1.00 0.00 C ATOM 275 O VAL A 18 125.135 101.569 34.963 1.00 0.00 O ATOM 276 CB VAL A 18 124.575 99.552 37.557 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.644 98.117 38.095 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.859 100.297 37.940 1.00 0.00 C ATOM 0 H VAL A 18 124.645 97.478 36.218 1.00 0.00 H new ATOM 0 HA VAL A 18 123.370 100.018 35.827 1.00 0.00 H new ATOM 0 HB VAL A 18 123.725 100.066 38.007 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.807 98.140 39.173 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.707 97.603 37.880 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.467 97.588 37.615 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.987 100.269 39.022 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.714 99.819 37.461 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.791 101.333 37.609 1.00 0.00 H new ATOM 288 N CYS A 19 126.503 99.859 34.933 1.00 0.00 N ATOM 289 CA CYS A 19 127.536 100.649 34.206 1.00 0.00 C ATOM 290 C CYS A 19 127.211 100.679 32.709 1.00 0.00 C ATOM 291 O CYS A 19 127.653 101.549 31.986 1.00 0.00 O ATOM 292 CB CYS A 19 128.899 99.993 34.412 1.00 0.00 C ATOM 293 SG CYS A 19 130.224 101.042 33.739 1.00 0.00 S ATOM 0 H CYS A 19 126.761 98.895 35.144 1.00 0.00 H new ATOM 0 HA CYS A 19 127.550 101.669 34.590 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.069 99.821 35.475 1.00 0.00 H new ATOM 0 HB3 CYS A 19 128.917 99.018 33.925 1.00 0.00 H new ATOM 298 N GLY A 20 126.448 99.732 32.237 1.00 0.00 N ATOM 299 CA GLY A 20 126.105 99.706 30.787 1.00 0.00 C ATOM 300 C GLY A 20 127.366 99.405 29.974 1.00 0.00 C ATOM 301 O GLY A 20 128.237 98.680 30.410 1.00 0.00 O ATOM 0 H GLY A 20 126.047 98.976 32.792 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.345 98.948 30.595 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.683 100.664 30.484 1.00 0.00 H new ATOM 305 N GLU A 21 127.472 99.958 28.795 1.00 0.00 N ATOM 306 CA GLU A 21 128.679 99.703 27.955 1.00 0.00 C ATOM 307 C GLU A 21 129.805 100.648 28.384 1.00 0.00 C ATOM 308 O GLU A 21 130.900 100.607 27.859 1.00 0.00 O ATOM 309 CB GLU A 21 128.336 99.952 26.483 1.00 0.00 C ATOM 310 CG GLU A 21 126.962 99.353 26.170 1.00 0.00 C ATOM 311 CD GLU A 21 126.682 99.470 24.672 1.00 0.00 C ATOM 312 OE1 GLU A 21 126.591 98.440 24.023 1.00 0.00 O ATOM 313 OE2 GLU A 21 126.565 100.588 24.197 1.00 0.00 O1- ATOM 0 H GLU A 21 126.775 100.575 28.377 1.00 0.00 H new ATOM 0 HA GLU A 21 129.002 98.670 28.083 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.334 101.022 26.275 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.095 99.504 25.841 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.932 98.307 26.475 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.190 99.873 26.737 1.00 0.00 H new ATOM 320 N ARG A 22 129.540 101.502 29.334 1.00 0.00 N ATOM 321 CA ARG A 22 130.585 102.455 29.802 1.00 0.00 C ATOM 322 C ARG A 22 131.772 101.686 30.386 1.00 0.00 C ATOM 323 O ARG A 22 132.723 102.272 30.867 1.00 0.00 O ATOM 324 CB ARG A 22 129.994 103.364 30.882 1.00 0.00 C ATOM 325 CG ARG A 22 128.768 104.090 30.326 1.00 0.00 C ATOM 326 CD ARG A 22 128.070 104.853 31.454 1.00 0.00 C ATOM 327 NE ARG A 22 126.816 105.469 30.936 1.00 0.00 N ATOM 328 CZ ARG A 22 126.258 106.456 31.583 1.00 0.00 C ATOM 329 NH1 ARG A 22 125.161 106.997 31.128 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 126.798 106.903 32.683 1.00 0.00 N ATOM 0 H ARG A 22 128.640 101.581 29.808 1.00 0.00 H new ATOM 0 HA ARG A 22 130.926 103.054 28.957 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.715 102.774 31.755 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.740 104.088 31.211 1.00 0.00 H new ATOM 0 HG2 ARG A 22 129.068 104.780 29.537 1.00 0.00 H new ATOM 0 HG3 ARG A 22 128.080 103.373 29.878 1.00 0.00 H new ATOM 0 HD2 ARG A 22 127.842 104.177 32.278 1.00 0.00 H new ATOM 0 HD3 ARG A 22 128.731 105.625 31.849 1.00 0.00 H new ATOM 0 HE ARG A 22 126.394 105.119 30.076 1.00 0.00 H new ATOM 0 HH11 ARG A 22 124.740 106.649 30.267 1.00 0.00 H new ATOM 0 HH12 ARG A 22 124.725 107.768 31.634 1.00 0.00 H new ATOM 0 HH21 ARG A 22 127.656 106.481 33.038 1.00 0.00 H new ATOM 0 HH22 ARG A 22 126.362 107.674 33.188 1.00 0.00 H new ATOM 344 N GLY A 23 131.727 100.382 30.364 1.00 0.00 N ATOM 345 CA GLY A 23 132.857 99.598 30.938 1.00 0.00 C ATOM 346 C GLY A 23 132.923 99.868 32.436 1.00 0.00 C ATOM 347 O GLY A 23 133.069 100.993 32.871 1.00 0.00 O ATOM 0 H GLY A 23 130.963 99.829 29.976 1.00 0.00 H new ATOM 0 HA2 GLY A 23 132.713 98.534 30.751 1.00 0.00 H new ATOM 0 HA3 GLY A 23 133.795 99.881 30.461 1.00 0.00 H new ATOM 351 N PHE A 24 132.795 98.843 33.228 1.00 0.00 N ATOM 352 CA PHE A 24 132.824 99.016 34.704 1.00 0.00 C ATOM 353 C PHE A 24 134.210 98.658 35.235 1.00 0.00 C ATOM 354 O PHE A 24 135.051 98.157 34.516 1.00 0.00 O ATOM 355 CB PHE A 24 131.786 98.075 35.299 1.00 0.00 C ATOM 356 CG PHE A 24 131.942 96.726 34.663 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.699 95.770 35.300 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.330 96.437 33.445 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.861 94.509 34.728 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.491 95.168 32.868 1.00 0.00 C ATOM 361 CZ PHE A 24 132.255 94.209 33.511 1.00 0.00 C ATOM 0 H PHE A 24 132.670 97.881 32.911 1.00 0.00 H new ATOM 0 HA PHE A 24 132.604 100.049 34.975 1.00 0.00 H new ATOM 0 HB2 PHE A 24 131.917 98.002 36.379 1.00 0.00 H new ATOM 0 HB3 PHE A 24 130.782 98.461 35.125 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.169 95.997 36.246 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.734 97.187 32.947 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.458 93.763 35.230 1.00 0.00 H new ATOM 0 HE2 PHE A 24 131.020 94.940 31.924 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.380 93.231 33.070 1.00 0.00 H new ATOM 371 N PHE A 25 134.453 98.916 36.494 1.00 0.00 N ATOM 372 CA PHE A 25 135.786 98.601 37.094 1.00 0.00 C ATOM 373 C PHE A 25 135.676 97.350 37.970 1.00 0.00 C ATOM 374 O PHE A 25 134.940 97.318 38.937 1.00 0.00 O ATOM 375 CB PHE A 25 136.237 99.779 37.958 1.00 0.00 C ATOM 376 CG PHE A 25 137.643 99.554 38.421 1.00 0.00 C ATOM 377 CD1 PHE A 25 137.868 99.003 39.677 1.00 0.00 C ATOM 378 CD2 PHE A 25 138.721 99.907 37.601 1.00 0.00 C ATOM 379 CE1 PHE A 25 139.165 98.800 40.124 1.00 0.00 C ATOM 380 CE2 PHE A 25 140.029 99.701 38.048 1.00 0.00 C ATOM 381 CZ PHE A 25 140.253 99.146 39.313 1.00 0.00 C ATOM 0 H PHE A 25 133.781 99.334 37.137 1.00 0.00 H new ATOM 0 HA PHE A 25 136.509 98.423 36.298 1.00 0.00 H new ATOM 0 HB2 PHE A 25 136.175 100.706 37.388 1.00 0.00 H new ATOM 0 HB3 PHE A 25 135.574 99.888 38.816 1.00 0.00 H new ATOM 0 HD1 PHE A 25 137.032 98.733 40.305 1.00 0.00 H new ATOM 0 HD2 PHE A 25 138.543 100.337 36.626 1.00 0.00 H new ATOM 0 HE1 PHE A 25 139.337 98.373 41.101 1.00 0.00 H new ATOM 0 HE2 PHE A 25 140.865 99.969 37.419 1.00 0.00 H new ATOM 0 HZ PHE A 25 141.262 98.985 39.663 1.00 0.00 H new ATOM 391 N TYR A 26 136.412 96.322 37.644 1.00 0.00 N ATOM 392 CA TYR A 26 136.368 95.072 38.459 1.00 0.00 C ATOM 393 C TYR A 26 137.711 94.351 38.327 1.00 0.00 C ATOM 394 O TYR A 26 137.905 93.272 38.850 1.00 0.00 O ATOM 395 CB TYR A 26 135.237 94.165 37.962 1.00 0.00 C ATOM 396 CG TYR A 26 135.037 93.025 38.929 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.567 93.288 40.218 1.00 0.00 C ATOM 398 CD2 TYR A 26 135.315 91.709 38.540 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.374 92.239 41.119 1.00 0.00 C ATOM 400 CE2 TYR A 26 135.122 90.656 39.443 1.00 0.00 C ATOM 401 CZ TYR A 26 134.651 90.922 40.734 1.00 0.00 C ATOM 402 OH TYR A 26 134.459 89.888 41.627 1.00 0.00 O ATOM 0 H TYR A 26 137.045 96.293 36.845 1.00 0.00 H new ATOM 0 HA TYR A 26 136.183 95.319 39.504 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.315 94.738 37.864 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.477 93.777 36.972 1.00 0.00 H new ATOM 0 HD1 TYR A 26 134.353 94.303 40.518 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.678 91.506 37.543 1.00 0.00 H new ATOM 0 HE1 TYR A 26 134.010 92.444 42.115 1.00 0.00 H new ATOM 0 HE2 TYR A 26 135.336 89.641 39.144 1.00 0.00 H new ATOM 0 HH TYR A 26 134.698 89.039 41.200 1.00 0.00 H new ATOM 412 N THR A 27 138.644 94.954 37.639 1.00 0.00 N ATOM 413 CA THR A 27 139.984 94.326 37.473 1.00 0.00 C ATOM 414 C THR A 27 139.840 92.976 36.758 1.00 0.00 C ATOM 415 O THR A 27 138.749 92.509 36.499 1.00 0.00 O ATOM 416 CB THR A 27 140.616 94.119 38.868 1.00 0.00 C ATOM 417 OG1 THR A 27 140.100 95.096 39.759 1.00 0.00 O ATOM 418 CG2 THR A 27 142.145 94.259 38.797 1.00 0.00 C ATOM 0 H THR A 27 138.533 95.860 37.183 1.00 0.00 H new ATOM 0 HA THR A 27 140.624 94.974 36.873 1.00 0.00 H new ATOM 0 HB THR A 27 140.372 93.117 39.220 1.00 0.00 H new ATOM 0 HG1 THR A 27 140.495 94.970 40.647 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.571 94.110 39.789 1.00 0.00 H new ATOM 0 HG22 THR A 27 142.547 93.511 38.113 1.00 0.00 H new ATOM 0 HG23 THR A 27 142.403 95.255 38.438 1.00 0.00 H new ATOM 426 N ASP A 28 140.941 92.345 36.454 1.00 0.00 N ATOM 427 CA ASP A 28 140.899 91.023 35.776 1.00 0.00 C ATOM 428 C ASP A 28 139.921 90.119 36.550 1.00 0.00 C ATOM 429 O ASP A 28 139.565 90.412 37.675 1.00 0.00 O ATOM 430 CB ASP A 28 142.341 90.448 35.787 1.00 0.00 C ATOM 431 CG ASP A 28 142.846 90.185 34.359 1.00 0.00 C ATOM 432 OD1 ASP A 28 142.531 90.976 33.485 1.00 0.00 O ATOM 433 OD2 ASP A 28 143.536 89.198 34.171 1.00 0.00 O1- ATOM 0 H ASP A 28 141.879 92.696 36.650 1.00 0.00 H new ATOM 0 HA ASP A 28 140.555 91.095 34.744 1.00 0.00 H new ATOM 0 HB2 ASP A 28 143.010 91.147 36.289 1.00 0.00 H new ATOM 0 HB3 ASP A 28 142.361 89.520 36.359 1.00 0.00 H new ATOM 438 N PRO A 29 139.513 89.032 35.993 1.00 0.00 N ATOM 439 CA PRO A 29 138.565 88.094 36.673 1.00 0.00 C ATOM 440 C PRO A 29 139.233 87.454 37.879 1.00 0.00 C ATOM 441 O PRO A 29 138.625 86.868 38.757 1.00 0.00 O ATOM 442 CB PRO A 29 138.275 87.054 35.590 1.00 0.00 C ATOM 443 CG PRO A 29 139.479 87.092 34.706 1.00 0.00 C ATOM 444 CD PRO A 29 139.920 88.551 34.674 1.00 0.00 C ATOM 0 HA PRO A 29 137.664 88.578 37.049 1.00 0.00 H new ATOM 0 HB2 PRO A 29 138.129 86.063 36.020 1.00 0.00 H new ATOM 0 HB3 PRO A 29 137.368 87.299 35.037 1.00 0.00 H new ATOM 0 HG2 PRO A 29 140.271 86.452 35.095 1.00 0.00 H new ATOM 0 HG3 PRO A 29 139.241 86.733 33.705 1.00 0.00 H new ATOM 0 HD2 PRO A 29 140.995 88.647 34.521 1.00 0.00 H new ATOM 0 HD3 PRO A 29 139.433 89.105 33.872 1.00 0.00 H new ATOM 452 N THR A 30 140.496 87.572 37.923 1.00 0.00 N ATOM 453 CA THR A 30 141.240 86.989 39.044 1.00 0.00 C ATOM 454 C THR A 30 142.281 87.992 39.489 1.00 0.00 C ATOM 455 O THR A 30 143.006 88.490 38.663 1.00 0.00 O ATOM 456 CB THR A 30 141.950 85.787 38.522 1.00 0.00 C ATOM 457 OG1 THR A 30 142.866 85.361 39.526 1.00 0.00 O ATOM 458 CG2 THR A 30 142.666 86.214 37.221 1.00 0.00 C ATOM 0 H THR A 30 141.063 88.053 37.225 1.00 0.00 H new ATOM 0 HA THR A 30 140.578 86.733 39.871 1.00 0.00 H new ATOM 0 HB THR A 30 141.282 84.956 38.296 1.00 0.00 H new ATOM 0 HG1 THR A 30 143.349 84.568 39.213 1.00 0.00 H new ATOM 0 HG21 THR A 30 143.201 85.361 36.803 1.00 0.00 H new ATOM 0 HG22 THR A 30 141.930 86.569 36.500 1.00 0.00 H new ATOM 0 HG23 THR A 30 143.374 87.014 37.441 1.00 0.00 H new ATOM 466 N GLU A 31 142.371 88.321 40.763 1.00 0.00 N ATOM 467 CA GLU A 31 143.398 89.342 41.161 1.00 0.00 C ATOM 468 C GLU A 31 143.522 89.472 42.737 1.00 0.00 C ATOM 469 O GLU A 31 142.714 88.961 43.523 1.00 0.00 O ATOM 470 CB GLU A 31 143.034 90.729 40.507 1.00 0.00 C ATOM 471 CG GLU A 31 142.901 90.669 38.945 1.00 0.00 C ATOM 472 CD GLU A 31 144.148 90.025 38.311 1.00 0.00 C ATOM 473 OE1 GLU A 31 145.199 90.652 38.353 1.00 0.00 O ATOM 474 OE2 GLU A 31 144.027 88.919 37.782 1.00 0.00 O1- ATOM 0 H GLU A 31 141.800 87.942 41.518 1.00 0.00 H new ATOM 0 HA GLU A 31 144.371 89.014 40.796 1.00 0.00 H new ATOM 0 HB2 GLU A 31 142.095 91.086 40.930 1.00 0.00 H new ATOM 0 HB3 GLU A 31 143.800 91.458 40.771 1.00 0.00 H new ATOM 0 HG2 GLU A 31 142.014 90.097 38.673 1.00 0.00 H new ATOM 0 HG3 GLU A 31 142.765 91.675 38.549 1.00 0.00 H new ATOM 481 N GLU A 32 144.563 90.140 43.199 1.00 0.00 N ATOM 482 CA GLU A 32 144.782 90.289 44.676 1.00 0.00 C ATOM 483 C GLU A 32 144.432 91.700 45.150 1.00 0.00 C ATOM 484 O GLU A 32 145.201 92.304 45.854 1.00 0.00 O ATOM 485 CB GLU A 32 146.261 90.036 45.000 1.00 0.00 C ATOM 486 CG GLU A 32 147.019 89.746 43.707 1.00 0.00 C ATOM 487 CD GLU A 32 148.383 89.143 44.030 1.00 0.00 C ATOM 488 OE1 GLU A 32 149.288 89.900 44.344 1.00 0.00 O ATOM 489 OE2 GLU A 32 148.504 87.933 43.940 1.00 0.00 O1- ATOM 0 H GLU A 32 145.268 90.587 42.613 1.00 0.00 H new ATOM 0 HA GLU A 32 144.139 89.569 45.182 1.00 0.00 H new ATOM 0 HB2 GLU A 32 146.690 90.905 45.499 1.00 0.00 H new ATOM 0 HB3 GLU A 32 146.356 89.195 45.687 1.00 0.00 H new ATOM 0 HG2 GLU A 32 146.446 89.059 43.085 1.00 0.00 H new ATOM 0 HG3 GLU A 32 147.144 90.665 43.134 1.00 0.00 H new ATOM 496 N GLY A 33 143.298 92.234 44.799 1.00 0.00 N ATOM 497 CA GLY A 33 142.971 93.606 45.287 1.00 0.00 C ATOM 498 C GLY A 33 141.667 94.102 44.676 1.00 0.00 C ATOM 499 O GLY A 33 141.547 95.249 44.307 1.00 0.00 O ATOM 0 H GLY A 33 142.594 91.793 44.207 1.00 0.00 H new ATOM 0 HA2 GLY A 33 142.889 93.600 46.374 1.00 0.00 H new ATOM 0 HA3 GLY A 33 143.780 94.290 45.032 1.00 0.00 H new ATOM 503 N PRO A 34 140.693 93.248 44.589 1.00 0.00 N ATOM 504 CA PRO A 34 139.350 93.593 44.029 1.00 0.00 C ATOM 505 C PRO A 34 138.642 94.591 44.940 1.00 0.00 C ATOM 506 O PRO A 34 137.421 94.630 45.053 1.00 0.00 O ATOM 507 CB PRO A 34 138.631 92.247 44.024 1.00 0.00 C ATOM 508 CG PRO A 34 139.261 91.522 45.152 1.00 0.00 C ATOM 509 CD PRO A 34 140.740 91.849 45.017 1.00 0.00 C ATOM 0 HA PRO A 34 139.388 94.059 43.044 1.00 0.00 H new ATOM 0 HB2 PRO A 34 137.557 92.364 44.170 1.00 0.00 H new ATOM 0 HB3 PRO A 34 138.769 91.720 43.080 1.00 0.00 H new ATOM 0 HG2 PRO A 34 138.864 91.854 46.111 1.00 0.00 H new ATOM 0 HG3 PRO A 34 139.082 90.449 45.087 1.00 0.00 H new ATOM 0 HD2 PRO A 34 141.275 91.726 45.959 1.00 0.00 H new ATOM 0 HD3 PRO A 34 141.235 91.212 44.284 1.00 0.00 H new ATOM 517 N ARG A 35 139.431 95.380 45.607 1.00 0.00 N ATOM 518 CA ARG A 35 138.881 96.370 46.545 1.00 0.00 C ATOM 519 C ARG A 35 138.312 95.586 47.720 1.00 0.00 C ATOM 520 O ARG A 35 137.961 96.135 48.743 1.00 0.00 O ATOM 521 CB ARG A 35 137.803 97.201 45.848 1.00 0.00 C ATOM 522 CG ARG A 35 136.735 97.617 46.856 1.00 0.00 C ATOM 523 CD ARG A 35 135.794 98.626 46.201 1.00 0.00 C ATOM 524 NE ARG A 35 136.534 99.887 45.945 1.00 0.00 N ATOM 525 CZ ARG A 35 136.796 100.700 46.927 1.00 0.00 C ATOM 526 NH1 ARG A 35 137.475 101.785 46.703 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 136.374 100.430 48.133 1.00 0.00 N ATOM 0 H ARG A 35 140.448 95.375 45.535 1.00 0.00 H new ATOM 0 HA ARG A 35 139.643 97.067 46.893 1.00 0.00 H new ATOM 0 HB2 ARG A 35 138.250 98.085 45.393 1.00 0.00 H new ATOM 0 HB3 ARG A 35 137.350 96.623 45.043 1.00 0.00 H new ATOM 0 HG2 ARG A 35 136.175 96.744 47.192 1.00 0.00 H new ATOM 0 HG3 ARG A 35 137.201 98.056 47.738 1.00 0.00 H new ATOM 0 HD2 ARG A 35 135.403 98.223 45.267 1.00 0.00 H new ATOM 0 HD3 ARG A 35 134.938 98.817 46.849 1.00 0.00 H new ATOM 0 HE ARG A 35 136.837 100.117 44.999 1.00 0.00 H new ATOM 0 HH11 ARG A 35 137.801 101.997 45.760 1.00 0.00 H new ATOM 0 HH12 ARG A 35 137.682 102.424 47.470 1.00 0.00 H new ATOM 0 HH21 ARG A 35 135.838 99.580 48.307 1.00 0.00 H new ATOM 0 HH22 ARG A 35 136.581 101.069 48.901 1.00 0.00 H new ATOM 541 N ARG A 36 138.262 94.283 47.584 1.00 0.00 N ATOM 542 CA ARG A 36 137.752 93.428 48.695 1.00 0.00 C ATOM 543 C ARG A 36 136.679 94.195 49.442 1.00 0.00 C ATOM 544 O ARG A 36 136.469 94.012 50.626 1.00 0.00 O ATOM 545 CB ARG A 36 138.896 93.112 49.657 1.00 0.00 C ATOM 546 CG ARG A 36 139.756 91.986 49.086 1.00 0.00 C ATOM 547 CD ARG A 36 139.071 90.645 49.328 1.00 0.00 C ATOM 548 NE ARG A 36 140.073 89.555 49.169 1.00 0.00 N ATOM 549 CZ ARG A 36 139.811 88.530 48.413 1.00 0.00 C ATOM 550 NH1 ARG A 36 140.692 87.577 48.278 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 138.666 88.456 47.790 1.00 0.00 N ATOM 0 H ARG A 36 138.554 93.776 46.748 1.00 0.00 H new ATOM 0 HA ARG A 36 137.345 92.500 48.293 1.00 0.00 H new ATOM 0 HB2 ARG A 36 139.505 94.002 49.817 1.00 0.00 H new ATOM 0 HB3 ARG A 36 138.497 92.820 50.628 1.00 0.00 H new ATOM 0 HG2 ARG A 36 139.911 92.139 48.018 1.00 0.00 H new ATOM 0 HG3 ARG A 36 140.740 91.993 49.555 1.00 0.00 H new ATOM 0 HD2 ARG A 36 138.640 90.617 50.329 1.00 0.00 H new ATOM 0 HD3 ARG A 36 138.251 90.508 48.623 1.00 0.00 H new ATOM 0 HE ARG A 36 140.968 89.613 49.655 1.00 0.00 H new ATOM 0 HH11 ARG A 36 141.586 87.636 48.765 1.00 0.00 H new ATOM 0 HH12 ARG A 36 140.487 86.773 47.685 1.00 0.00 H new ATOM 0 HH21 ARG A 36 137.978 89.202 47.897 1.00 0.00 H new ATOM 0 HH22 ARG A 36 138.459 87.653 47.197 1.00 0.00 H new ATOM 565 N GLY A 37 136.027 95.070 48.750 1.00 0.00 N ATOM 566 CA GLY A 37 134.959 95.912 49.376 1.00 0.00 C ATOM 567 C GLY A 37 133.600 95.415 48.895 1.00 0.00 C ATOM 568 O GLY A 37 132.812 94.877 49.649 1.00 0.00 O ATOM 0 H GLY A 37 136.183 95.249 47.758 1.00 0.00 H new ATOM 0 HA2 GLY A 37 135.020 95.853 50.463 1.00 0.00 H new ATOM 0 HA3 GLY A 37 135.096 96.959 49.105 1.00 0.00 H new ATOM 572 N ILE A 38 133.332 95.592 47.638 1.00 0.00 N ATOM 573 CA ILE A 38 132.041 95.142 47.058 1.00 0.00 C ATOM 574 C ILE A 38 131.915 93.626 47.189 1.00 0.00 C ATOM 575 O ILE A 38 130.866 93.089 47.463 1.00 0.00 O ATOM 576 CB ILE A 38 132.048 95.508 45.572 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.662 95.292 44.973 1.00 0.00 C ATOM 578 CG2 ILE A 38 133.067 94.632 44.817 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.711 95.614 43.478 1.00 0.00 C ATOM 0 H ILE A 38 133.965 96.038 46.974 1.00 0.00 H new ATOM 0 HA ILE A 38 131.209 95.616 47.578 1.00 0.00 H new ATOM 0 HB ILE A 38 132.327 96.557 45.474 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.342 94.261 45.126 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.932 95.930 45.472 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.065 94.900 43.760 1.00 0.00 H new ATOM 0 HG22 ILE A 38 134.063 94.794 45.230 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.795 93.582 44.926 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.724 95.462 43.041 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.014 96.652 43.339 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.430 94.957 42.988 1.00 0.00 H new ATOM 591 N VAL A 39 132.983 92.943 46.946 1.00 0.00 N ATOM 592 CA VAL A 39 132.971 91.473 46.987 1.00 0.00 C ATOM 593 C VAL A 39 132.697 90.956 48.401 1.00 0.00 C ATOM 594 O VAL A 39 131.731 90.259 48.634 1.00 0.00 O ATOM 595 CB VAL A 39 134.349 91.036 46.513 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.562 89.555 46.794 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.481 91.323 45.013 1.00 0.00 C ATOM 0 H VAL A 39 133.887 93.355 46.715 1.00 0.00 H new ATOM 0 HA VAL A 39 132.179 91.069 46.357 1.00 0.00 H new ATOM 0 HB VAL A 39 135.112 91.595 47.054 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.552 89.258 46.449 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.481 89.373 47.866 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.805 88.972 46.269 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.467 91.012 44.668 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.715 90.771 44.468 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.355 92.391 44.834 1.00 0.00 H new ATOM 607 N GLU A 40 133.537 91.268 49.337 1.00 0.00 N ATOM 608 CA GLU A 40 133.313 90.761 50.718 1.00 0.00 C ATOM 609 C GLU A 40 131.977 91.277 51.264 1.00 0.00 C ATOM 610 O GLU A 40 131.415 90.710 52.179 1.00 0.00 O ATOM 611 CB GLU A 40 134.444 91.228 51.631 1.00 0.00 C ATOM 612 CG GLU A 40 135.793 91.057 50.933 1.00 0.00 C ATOM 613 CD GLU A 40 136.910 91.342 51.938 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.029 92.482 52.355 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.625 90.413 52.276 1.00 0.00 O1- ATOM 0 H GLU A 40 134.366 91.849 49.212 1.00 0.00 H new ATOM 0 HA GLU A 40 133.291 89.672 50.689 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.296 92.274 51.899 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.432 90.656 52.559 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.889 90.045 50.540 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.867 91.737 50.084 1.00 0.00 H new ATOM 622 N GLN A 41 131.466 92.354 50.728 1.00 0.00 N ATOM 623 CA GLN A 41 130.171 92.904 51.237 1.00 0.00 C ATOM 624 C GLN A 41 128.999 92.352 50.418 1.00 0.00 C ATOM 625 O GLN A 41 127.938 92.082 50.942 1.00 0.00 O ATOM 626 CB GLN A 41 130.193 94.430 51.119 1.00 0.00 C ATOM 627 CG GLN A 41 128.916 95.011 51.735 1.00 0.00 C ATOM 628 CD GLN A 41 129.097 96.513 51.969 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.772 97.018 53.024 1.00 0.00 O ATOM 630 NE2 GLN A 41 129.607 97.252 51.020 1.00 0.00 N ATOM 0 H GLN A 41 131.887 92.877 49.961 1.00 0.00 H new ATOM 0 HA GLN A 41 130.045 92.609 52.279 1.00 0.00 H new ATOM 0 HB2 GLN A 41 131.070 94.832 51.627 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.270 94.723 50.072 1.00 0.00 H new ATOM 0 HG2 GLN A 41 128.068 94.835 51.073 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.694 94.510 52.677 1.00 0.00 H new ATOM 0 HE21 GLN A 41 129.880 96.827 50.134 1.00 0.00 H new ATOM 0 HE22 GLN A 41 129.732 98.254 51.165 1.00 0.00 H new ATOM 639 N CYS A 42 129.174 92.200 49.134 1.00 0.00 N ATOM 640 CA CYS A 42 128.060 91.683 48.282 1.00 0.00 C ATOM 641 C CYS A 42 128.097 90.154 48.228 1.00 0.00 C ATOM 642 O CYS A 42 127.070 89.506 48.202 1.00 0.00 O ATOM 643 CB CYS A 42 128.207 92.248 46.868 1.00 0.00 C ATOM 644 SG CYS A 42 128.445 94.042 46.959 1.00 0.00 S ATOM 0 H CYS A 42 130.039 92.411 48.636 1.00 0.00 H new ATOM 0 HA CYS A 42 127.108 91.995 48.711 1.00 0.00 H new ATOM 0 HB2 CYS A 42 129.055 91.783 46.365 1.00 0.00 H new ATOM 0 HB3 CYS A 42 127.320 92.017 46.278 1.00 0.00 H new ATOM 649 N CYS A 43 129.259 89.566 48.200 1.00 0.00 N ATOM 650 CA CYS A 43 129.326 88.077 48.135 1.00 0.00 C ATOM 651 C CYS A 43 129.013 87.478 49.511 1.00 0.00 C ATOM 652 O CYS A 43 128.373 86.451 49.615 1.00 0.00 O ATOM 653 CB CYS A 43 130.722 87.642 47.680 1.00 0.00 C ATOM 654 SG CYS A 43 130.766 85.841 47.501 1.00 0.00 S ATOM 0 H CYS A 43 130.159 90.045 48.219 1.00 0.00 H new ATOM 0 HA CYS A 43 128.588 87.717 47.418 1.00 0.00 H new ATOM 0 HB2 CYS A 43 130.972 88.118 46.732 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.469 87.964 48.405 1.00 0.00 H new ATOM 659 N HIS A 44 129.453 88.108 50.570 1.00 0.00 N ATOM 660 CA HIS A 44 129.170 87.566 51.935 1.00 0.00 C ATOM 661 C HIS A 44 127.873 88.182 52.468 1.00 0.00 C ATOM 662 O HIS A 44 127.227 87.633 53.339 1.00 0.00 O ATOM 663 CB HIS A 44 130.330 87.916 52.878 1.00 0.00 C ATOM 664 CG HIS A 44 130.283 87.029 54.095 1.00 0.00 C ATOM 665 ND1 HIS A 44 129.844 87.488 55.329 1.00 0.00 N ATOM 666 CD2 HIS A 44 130.618 85.711 54.283 1.00 0.00 C ATOM 667 CE1 HIS A 44 129.926 86.461 56.196 1.00 0.00 C ATOM 668 NE2 HIS A 44 130.389 85.359 55.608 1.00 0.00 N ATOM 0 H HIS A 44 129.995 88.972 50.550 1.00 0.00 H new ATOM 0 HA HIS A 44 129.063 86.483 51.881 1.00 0.00 H new ATOM 0 HB2 HIS A 44 131.282 87.790 52.361 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.265 88.962 53.176 1.00 0.00 H new ATOM 0 HD2 HIS A 44 131.000 85.050 53.519 1.00 0.00 H new ATOM 0 HE1 HIS A 44 129.651 86.523 57.238 1.00 0.00 H new ATOM 0 HE2 HIS A 44 130.543 84.448 56.040 1.00 0.00 H new ATOM 677 N SER A 45 127.485 89.321 51.950 1.00 0.00 N ATOM 678 CA SER A 45 126.227 89.985 52.418 1.00 0.00 C ATOM 679 C SER A 45 125.492 90.588 51.214 1.00 0.00 C ATOM 680 O SER A 45 125.883 90.399 50.078 1.00 0.00 O ATOM 681 CB SER A 45 126.586 91.087 53.427 1.00 0.00 C ATOM 682 OG SER A 45 126.657 90.521 54.729 1.00 0.00 O ATOM 0 H SER A 45 127.988 89.823 51.219 1.00 0.00 H new ATOM 0 HA SER A 45 125.576 89.255 52.900 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.540 91.542 53.163 1.00 0.00 H new ATOM 0 HB3 SER A 45 125.837 91.879 53.401 1.00 0.00 H new ATOM 0 HG SER A 45 126.819 89.557 54.658 1.00 0.00 H new ATOM 688 N ILE A 46 124.425 91.303 51.455 1.00 0.00 N ATOM 689 CA ILE A 46 123.654 91.913 50.328 1.00 0.00 C ATOM 690 C ILE A 46 124.316 93.238 49.930 1.00 0.00 C ATOM 691 O ILE A 46 125.251 93.687 50.563 1.00 0.00 O ATOM 692 CB ILE A 46 122.194 92.169 50.769 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.615 90.937 51.497 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.324 92.489 49.552 1.00 0.00 C ATOM 695 CD1 ILE A 46 121.174 89.867 50.492 1.00 0.00 C ATOM 0 H ILE A 46 124.052 91.492 52.385 1.00 0.00 H new ATOM 0 HA ILE A 46 123.651 91.233 49.476 1.00 0.00 H new ATOM 0 HB ILE A 46 122.194 93.017 51.454 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.364 90.522 52.171 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.766 91.238 52.111 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.298 92.667 49.875 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.708 93.380 49.054 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.345 91.648 48.858 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.770 89.009 51.028 1.00 0.00 H new ATOM 0 HD12 ILE A 46 120.408 90.279 49.835 1.00 0.00 H new ATOM 0 HD13 ILE A 46 122.031 89.552 49.897 1.00 0.00 H new ATOM 707 N CYS A 47 123.850 93.865 48.878 1.00 0.00 N ATOM 708 CA CYS A 47 124.464 95.155 48.436 1.00 0.00 C ATOM 709 C CYS A 47 123.415 96.023 47.733 1.00 0.00 C ATOM 710 O CYS A 47 122.343 95.565 47.387 1.00 0.00 O ATOM 711 CB CYS A 47 125.610 94.860 47.459 1.00 0.00 C ATOM 712 SG CYS A 47 127.148 94.648 48.377 1.00 0.00 S ATOM 0 H CYS A 47 123.071 93.539 48.306 1.00 0.00 H new ATOM 0 HA CYS A 47 124.844 95.687 49.308 1.00 0.00 H new ATOM 0 HB2 CYS A 47 125.390 93.960 46.886 1.00 0.00 H new ATOM 0 HB3 CYS A 47 125.711 95.676 46.744 1.00 0.00 H new ATOM 717 N SER A 48 123.732 97.274 47.508 1.00 0.00 N ATOM 718 CA SER A 48 122.778 98.188 46.815 1.00 0.00 C ATOM 719 C SER A 48 123.175 98.313 45.340 1.00 0.00 C ATOM 720 O SER A 48 124.281 97.997 44.949 1.00 0.00 O ATOM 721 CB SER A 48 122.814 99.574 47.481 1.00 0.00 C ATOM 722 OG SER A 48 121.509 100.135 47.460 1.00 0.00 O ATOM 0 H SER A 48 124.618 97.702 47.777 1.00 0.00 H new ATOM 0 HA SER A 48 121.769 97.783 46.886 1.00 0.00 H new ATOM 0 HB2 SER A 48 123.170 99.488 48.508 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.512 100.226 46.955 1.00 0.00 H new ATOM 0 HG SER A 48 121.526 101.018 47.885 1.00 0.00 H new ATOM 728 N LEU A 49 122.281 98.798 44.534 1.00 0.00 N ATOM 729 CA LEU A 49 122.570 98.989 43.097 1.00 0.00 C ATOM 730 C LEU A 49 123.320 100.308 42.970 1.00 0.00 C ATOM 731 O LEU A 49 124.163 100.498 42.118 1.00 0.00 O ATOM 732 CB LEU A 49 121.211 99.002 42.361 1.00 0.00 C ATOM 733 CG LEU A 49 121.189 100.017 41.215 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.320 99.718 40.207 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.826 99.933 40.530 1.00 0.00 C ATOM 0 H LEU A 49 121.342 99.076 44.820 1.00 0.00 H new ATOM 0 HA LEU A 49 123.185 98.202 42.661 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.002 98.007 41.968 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.417 99.238 43.070 1.00 0.00 H new ATOM 0 HG LEU A 49 121.349 101.023 41.604 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.290 100.449 39.399 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.283 99.776 40.713 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.186 98.717 39.796 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.787 100.649 39.709 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.676 98.926 40.141 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.042 100.165 41.251 1.00 0.00 H new ATOM 747 N GLU A 50 123.003 101.205 43.844 1.00 0.00 N ATOM 748 CA GLU A 50 123.655 102.529 43.857 1.00 0.00 C ATOM 749 C GLU A 50 125.116 102.342 44.201 1.00 0.00 C ATOM 750 O GLU A 50 125.980 103.112 43.833 1.00 0.00 O ATOM 751 CB GLU A 50 122.968 103.341 44.937 1.00 0.00 C ATOM 752 CG GLU A 50 121.487 103.466 44.588 1.00 0.00 C ATOM 753 CD GLU A 50 120.848 104.571 45.430 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.591 104.325 46.597 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.626 105.644 44.894 1.00 0.00 O1- ATOM 0 H GLU A 50 122.299 101.072 44.570 1.00 0.00 H new ATOM 0 HA GLU A 50 123.582 103.031 42.892 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.088 102.858 45.907 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.423 104.329 45.014 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.372 103.691 43.528 1.00 0.00 H new ATOM 0 HG3 GLU A 50 120.980 102.518 44.770 1.00 0.00 H new ATOM 762 N GLN A 51 125.369 101.305 44.911 1.00 0.00 N ATOM 763 CA GLN A 51 126.757 100.980 45.328 1.00 0.00 C ATOM 764 C GLN A 51 127.556 100.500 44.111 1.00 0.00 C ATOM 765 O GLN A 51 128.763 100.606 44.071 1.00 0.00 O ATOM 766 CB GLN A 51 126.709 99.877 46.393 1.00 0.00 C ATOM 767 CG GLN A 51 128.116 99.321 46.635 1.00 0.00 C ATOM 768 CD GLN A 51 128.144 98.539 47.951 1.00 0.00 C ATOM 769 OE1 GLN A 51 128.159 97.325 47.949 1.00 0.00 O ATOM 770 NE2 GLN A 51 128.152 99.191 49.083 1.00 0.00 N ATOM 0 H GLN A 51 124.662 100.645 45.234 1.00 0.00 H new ATOM 0 HA GLN A 51 127.241 101.865 45.742 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.301 100.275 47.322 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.043 99.077 46.070 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.408 98.672 45.809 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.838 100.136 46.670 1.00 0.00 H new ATOM 0 HE21 GLN A 51 128.139 100.211 49.084 1.00 0.00 H new ATOM 0 HE22 GLN A 51 128.171 98.680 49.966 1.00 0.00 H new ATOM 779 N LEU A 52 126.889 99.986 43.112 1.00 0.00 N ATOM 780 CA LEU A 52 127.597 99.515 41.897 1.00 0.00 C ATOM 781 C LEU A 52 127.803 100.718 40.978 1.00 0.00 C ATOM 782 O LEU A 52 128.765 100.817 40.252 1.00 0.00 O ATOM 783 CB LEU A 52 126.682 98.526 41.169 1.00 0.00 C ATOM 784 CG LEU A 52 126.227 97.409 42.081 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.243 96.539 41.303 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.412 96.568 42.510 1.00 0.00 C ATOM 0 H LEU A 52 125.875 99.873 43.090 1.00 0.00 H new ATOM 0 HA LEU A 52 128.548 99.050 42.158 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.812 99.054 40.779 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.209 98.105 40.313 1.00 0.00 H new ATOM 0 HG LEU A 52 125.756 97.824 42.972 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.898 95.723 41.938 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.390 97.143 40.992 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.737 96.129 40.422 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.071 95.767 43.166 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.890 96.137 41.630 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.128 97.194 43.043 1.00 0.00 H new ATOM 798 N GLU A 53 126.866 101.617 40.989 1.00 0.00 N ATOM 799 CA GLU A 53 126.947 102.801 40.113 1.00 0.00 C ATOM 800 C GLU A 53 128.175 103.638 40.480 1.00 0.00 C ATOM 801 O GLU A 53 128.651 104.433 39.695 1.00 0.00 O ATOM 802 CB GLU A 53 125.645 103.595 40.296 1.00 0.00 C ATOM 803 CG GLU A 53 124.648 103.236 39.185 1.00 0.00 C ATOM 804 CD GLU A 53 123.383 104.084 39.340 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.689 103.900 40.327 1.00 0.00 O ATOM 806 OE2 GLU A 53 123.130 104.900 38.470 1.00 0.00 O1- ATOM 0 H GLU A 53 126.035 101.577 41.579 1.00 0.00 H new ATOM 0 HA GLU A 53 127.057 102.514 39.067 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.210 103.375 41.271 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.856 104.664 40.275 1.00 0.00 H new ATOM 0 HG2 GLU A 53 125.098 103.411 38.208 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.397 102.177 39.236 1.00 0.00 H new ATOM 813 N ASN A 54 128.705 103.446 41.649 1.00 0.00 N ATOM 814 CA ASN A 54 129.917 104.211 42.046 1.00 0.00 C ATOM 815 C ASN A 54 131.137 103.500 41.463 1.00 0.00 C ATOM 816 O ASN A 54 132.249 103.984 41.523 1.00 0.00 O ATOM 817 CB ASN A 54 130.027 104.246 43.573 1.00 0.00 C ATOM 818 CG ASN A 54 128.678 104.643 44.175 1.00 0.00 C ATOM 819 OD1 ASN A 54 127.701 104.783 43.468 1.00 0.00 O ATOM 820 ND2 ASN A 54 128.587 104.829 45.462 1.00 0.00 N ATOM 0 H ASN A 54 128.353 102.793 42.349 1.00 0.00 H new ATOM 0 HA ASN A 54 129.858 105.234 41.673 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.331 103.269 43.948 1.00 0.00 H new ATOM 0 HB3 ASN A 54 130.795 104.957 43.876 1.00 0.00 H new ATOM 0 HD21 ASN A 54 127.693 105.093 45.877 1.00 0.00 H new ATOM 0 HD22 ASN A 54 129.409 104.711 46.054 1.00 0.00 H new ATOM 827 N TYR A 55 130.928 102.326 40.922 1.00 0.00 N ATOM 828 CA TYR A 55 132.052 101.535 40.355 1.00 0.00 C ATOM 829 C TYR A 55 132.205 101.863 38.869 1.00 0.00 C ATOM 830 O TYR A 55 133.280 101.789 38.308 1.00 0.00 O ATOM 831 CB TYR A 55 131.769 100.037 40.528 1.00 0.00 C ATOM 832 CG TYR A 55 131.924 99.682 41.974 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.237 100.393 42.949 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.794 98.677 42.337 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.426 100.098 44.287 1.00 0.00 C ATOM 836 CE2 TYR A 55 132.978 98.370 43.676 1.00 0.00 C ATOM 837 CZ TYR A 55 132.298 99.084 44.660 1.00 0.00 C ATOM 838 OH TYR A 55 132.492 98.795 45.996 1.00 0.00 O ATOM 0 H TYR A 55 130.013 101.880 40.850 1.00 0.00 H new ATOM 0 HA TYR A 55 132.974 101.787 40.879 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.761 99.801 40.187 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.457 99.450 39.919 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.553 101.178 42.662 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.332 98.129 41.578 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.894 100.657 45.043 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.651 97.574 43.958 1.00 0.00 H new ATOM 0 HH TYR A 55 131.676 99.001 46.497 1.00 0.00 H new ATOM 848 N CYS A 56 131.126 102.230 38.228 1.00 0.00 N ATOM 849 CA CYS A 56 131.191 102.570 36.779 1.00 0.00 C ATOM 850 C CYS A 56 131.971 103.861 36.590 1.00 0.00 C ATOM 851 O CYS A 56 131.544 104.929 36.982 1.00 0.00 O ATOM 852 CB CYS A 56 129.789 102.756 36.222 1.00 0.00 C ATOM 853 SG CYS A 56 129.861 102.914 34.419 1.00 0.00 S ATOM 0 H CYS A 56 130.200 102.309 38.649 1.00 0.00 H new ATOM 0 HA CYS A 56 131.687 101.756 36.251 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.163 101.907 36.497 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.330 103.644 36.656 1.00 0.00 H new ATOM 858 N ASN A 57 133.110 103.763 35.991 1.00 0.00 N ATOM 859 CA ASN A 57 133.947 104.973 35.760 1.00 0.00 C ATOM 860 C ASN A 57 134.086 105.755 37.068 1.00 0.00 C ATOM 861 O ASN A 57 134.907 105.366 37.883 1.00 0.00 O ATOM 862 CB ASN A 57 133.282 105.857 34.704 1.00 0.00 C ATOM 863 CG ASN A 57 134.180 107.058 34.404 1.00 0.00 C ATOM 864 OD1 ASN A 57 135.376 107.003 34.609 1.00 0.00 O ATOM 865 ND2 ASN A 57 133.651 108.148 33.923 1.00 0.00 N ATOM 866 OXT ASN A 57 133.368 106.726 37.234 1.00 0.00 O ATOM 0 H ASN A 57 133.509 102.890 35.645 1.00 0.00 H new ATOM 0 HA ASN A 57 134.935 104.671 35.412 1.00 0.00 H new ATOM 0 HB2 ASN A 57 133.107 105.284 33.793 1.00 0.00 H new ATOM 0 HB3 ASN A 57 132.309 106.197 35.059 1.00 0.00 H new ATOM 0 HD21 ASN A 57 134.241 108.954 33.719 1.00 0.00 H new ATOM 0 HD22 ASN A 57 132.647 108.195 33.751 1.00 0.00 H new TER 873 ASN A 57