USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 570 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 88 TYR OH : rot 180:sc=-0.00959 USER MOD Set 1.2: A 92 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.63) USER MOD Set 2.1: A 39 GLN : amide:sc= -0.0757 X(o=-0.04,f=0.036) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0.036 USER MOD Set 3.1: A 17 GLN : amide:sc= -0.57 X(o=-1.9,f=-1.5) USER MOD Set 3.2: A 30 THR OG1 : rot 180:sc= -1.35! USER MOD Single : A 3 HIS : no HE2:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0422 USER MOD Single : A 8 SER OG : rot -56:sc= 0.0359 USER MOD Single : A 12 TYR OH : rot -119:sc= 0.745 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 143:sc= -3.01! (180deg=-6.17!) USER MOD Single : A 20 LYS NZ :NH3+ -126:sc= -0.256 (180deg=-0.548) USER MOD Single : A 26 GLN : amide:sc= -0.321 K(o=-0.32,f=-2!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.72 K(o=-2.7,f=-7.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -167:sc= 1.26 USER MOD Single : A 47 TYR OH : rot -161:sc= 0.502 USER MOD Single : A 50 ASN : amide:sc= 0.353 X(o=0.35,f=0) USER MOD Single : A 51 SER OG : rot 80:sc= -0.904 USER MOD Single : A 52 ASN : amide:sc= -1.1! C(o=-1.1!,f=-1.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 62:sc= -1.99! USER MOD Single : A 63 ASN : amide:sc= 0.564 K(o=0.56,f=-1.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 173:sc=0.000182 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -8.95! C(o=-8.9!,f=-13!) USER MOD Single : A 83 SER OG : rot -95:sc= -4.23! USER MOD Single : A 84 THR OG1 : rot 160:sc= -5.4! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.097 USER MOD Single : A 87 ASN : amide:sc= -0.538 K(o=-0.54,f=-3.4!) USER MOD Single : A 90 GLN : amide:sc= -0.2 K(o=-0.2,f=-4.4!) USER MOD Single : A 93 LYS NZ :NH3+ -134:sc= -2.93! (180deg=-5.19!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 68:sc= 0.909 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0949 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 51.344 13.603 -36.299 1.00 0.00 N ATOM 32 CA HIS A 3 51.063 12.263 -35.798 1.00 0.00 C ATOM 33 C HIS A 3 50.635 12.308 -34.334 1.00 0.00 C ATOM 34 O HIS A 3 51.092 13.157 -33.569 1.00 0.00 O ATOM 35 CB HIS A 3 52.295 11.368 -35.955 1.00 0.00 C ATOM 36 CG HIS A 3 52.274 10.159 -35.075 1.00 0.00 C ATOM 37 ND1 HIS A 3 53.118 9.998 -33.997 1.00 0.00 N ATOM 38 CD2 HIS A 3 51.498 9.050 -35.112 1.00 0.00 C ATOM 39 CE1 HIS A 3 52.862 8.844 -33.408 1.00 0.00 C ATOM 40 NE2 HIS A 3 51.883 8.249 -34.064 1.00 0.00 N ATOM 0 HA HIS A 3 50.244 11.847 -36.384 1.00 0.00 H new ATOM 0 HB2 HIS A 3 52.372 11.049 -36.994 1.00 0.00 H new ATOM 0 HB3 HIS A 3 53.188 11.952 -35.734 1.00 0.00 H new ATOM 0 HD1 HIS A 3 53.829 10.666 -33.700 1.00 0.00 H new ATOM 0 HD2 HIS A 3 50.721 8.835 -35.831 1.00 0.00 H new ATOM 0 HE1 HIS A 3 53.368 8.453 -32.537 1.00 0.00 H new ATOM 49 N CYS A 4 49.751 11.391 -33.952 1.00 0.00 N ATOM 50 CA CYS A 4 49.256 11.326 -32.582 1.00 0.00 C ATOM 51 C CYS A 4 49.240 9.885 -32.083 1.00 0.00 C ATOM 52 O CYS A 4 48.582 9.026 -32.668 1.00 0.00 O ATOM 53 CB CYS A 4 47.851 11.921 -32.501 1.00 0.00 C ATOM 54 SG CYS A 4 46.854 11.660 -34.007 1.00 0.00 S ATOM 0 H CYS A 4 49.363 10.682 -34.574 1.00 0.00 H new ATOM 0 HA CYS A 4 49.926 11.906 -31.947 1.00 0.00 H new ATOM 0 HB2 CYS A 4 47.329 11.483 -31.650 1.00 0.00 H new ATOM 0 HB3 CYS A 4 47.930 12.991 -32.310 1.00 0.00 H new ATOM 59 N VAL A 5 49.966 9.626 -31.003 1.00 0.00 N ATOM 60 CA VAL A 5 50.032 8.285 -30.432 1.00 0.00 C ATOM 61 C VAL A 5 49.711 8.303 -28.942 1.00 0.00 C ATOM 62 O VAL A 5 50.106 9.220 -28.222 1.00 0.00 O ATOM 63 CB VAL A 5 51.424 7.657 -30.639 1.00 0.00 C ATOM 64 CG1 VAL A 5 52.475 8.407 -29.837 1.00 0.00 C ATOM 65 CG2 VAL A 5 51.406 6.183 -30.264 1.00 0.00 C ATOM 0 H VAL A 5 50.517 10.325 -30.505 1.00 0.00 H new ATOM 0 HA VAL A 5 49.287 7.683 -30.952 1.00 0.00 H new ATOM 0 HB VAL A 5 51.684 7.736 -31.695 1.00 0.00 H new ATOM 0 HG11 VAL A 5 53.451 7.948 -29.997 1.00 0.00 H new ATOM 0 HG12 VAL A 5 52.506 9.447 -30.161 1.00 0.00 H new ATOM 0 HG13 VAL A 5 52.223 8.364 -28.777 1.00 0.00 H new ATOM 0 HG21 VAL A 5 52.397 5.757 -30.417 1.00 0.00 H new ATOM 0 HG22 VAL A 5 51.123 6.077 -29.217 1.00 0.00 H new ATOM 0 HG23 VAL A 5 50.685 5.657 -30.890 1.00 0.00 H new ATOM 75 N THR A 6 48.991 7.283 -28.486 1.00 0.00 N ATOM 76 CA THR A 6 48.616 7.179 -27.081 1.00 0.00 C ATOM 77 C THR A 6 49.834 6.908 -26.203 1.00 0.00 C ATOM 78 O THR A 6 50.115 7.657 -25.268 1.00 0.00 O ATOM 79 CB THR A 6 47.577 6.064 -26.858 1.00 0.00 C ATOM 80 OG1 THR A 6 48.028 4.846 -27.464 1.00 0.00 O ATOM 81 CG2 THR A 6 46.227 6.459 -27.438 1.00 0.00 C ATOM 0 H THR A 6 48.656 6.517 -29.070 1.00 0.00 H new ATOM 0 HA THR A 6 48.177 8.136 -26.800 1.00 0.00 H new ATOM 0 HB THR A 6 47.462 5.913 -25.785 1.00 0.00 H new ATOM 0 HG1 THR A 6 47.363 4.141 -27.316 1.00 0.00 H new ATOM 0 HG21 THR A 6 45.509 5.656 -27.269 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.875 7.369 -26.953 1.00 0.00 H new ATOM 0 HG23 THR A 6 46.329 6.635 -28.509 1.00 0.00 H new ATOM 89 N ASP A 7 50.552 5.834 -26.511 1.00 0.00 N ATOM 90 CA ASP A 7 51.740 5.465 -25.749 1.00 0.00 C ATOM 91 C ASP A 7 52.397 4.221 -26.334 1.00 0.00 C ATOM 92 O ASP A 7 53.623 4.141 -26.432 1.00 0.00 O ATOM 93 CB ASP A 7 51.377 5.224 -24.282 1.00 0.00 C ATOM 94 CG ASP A 7 52.534 4.657 -23.483 1.00 0.00 C ATOM 95 OD1 ASP A 7 53.697 4.958 -23.827 1.00 0.00 O ATOM 96 OD2 ASP A 7 52.278 3.914 -22.513 1.00 0.00 O ATOM 0 H ASP A 7 50.333 5.204 -27.282 1.00 0.00 H new ATOM 0 HA ASP A 7 52.450 6.290 -25.809 1.00 0.00 H new ATOM 0 HB2 ASP A 7 51.055 6.163 -23.832 1.00 0.00 H new ATOM 0 HB3 ASP A 7 50.532 4.538 -24.228 1.00 0.00 H new ATOM 101 N SER A 8 51.576 3.253 -26.722 1.00 0.00 N ATOM 102 CA SER A 8 52.076 2.010 -27.299 1.00 0.00 C ATOM 103 C SER A 8 50.926 1.074 -27.659 1.00 0.00 C ATOM 104 O SER A 8 51.053 -0.146 -27.564 1.00 0.00 O ATOM 105 CB SER A 8 53.024 1.318 -26.319 1.00 0.00 C ATOM 106 OG SER A 8 53.883 0.412 -26.991 1.00 0.00 O ATOM 0 H SER A 8 50.560 3.304 -26.648 1.00 0.00 H new ATOM 0 HA SER A 8 52.619 2.254 -28.212 1.00 0.00 H new ATOM 0 HB2 SER A 8 53.618 2.066 -25.794 1.00 0.00 H new ATOM 0 HB3 SER A 8 52.446 0.784 -25.565 1.00 0.00 H new ATOM 0 HG SER A 8 53.347 -0.231 -27.500 1.00 0.00 H new ATOM 112 N GLY A 9 49.804 1.655 -28.072 1.00 0.00 N ATOM 113 CA GLY A 9 48.647 0.858 -28.439 1.00 0.00 C ATOM 114 C GLY A 9 48.046 1.279 -29.765 1.00 0.00 C ATOM 115 O GLY A 9 47.533 0.448 -30.514 1.00 0.00 O ATOM 0 H GLY A 9 49.675 2.663 -28.159 1.00 0.00 H new ATOM 0 HA2 GLY A 9 48.936 -0.192 -28.492 1.00 0.00 H new ATOM 0 HA3 GLY A 9 47.891 0.942 -27.659 1.00 0.00 H new ATOM 119 N VAL A 10 48.109 2.575 -30.058 1.00 0.00 N ATOM 120 CA VAL A 10 47.566 3.104 -31.303 1.00 0.00 C ATOM 121 C VAL A 10 48.401 4.269 -31.820 1.00 0.00 C ATOM 122 O VAL A 10 48.893 5.088 -31.043 1.00 0.00 O ATOM 123 CB VAL A 10 46.109 3.571 -31.125 1.00 0.00 C ATOM 124 CG1 VAL A 10 45.383 3.583 -32.461 1.00 0.00 C ATOM 125 CG2 VAL A 10 45.383 2.683 -30.125 1.00 0.00 C ATOM 0 H VAL A 10 48.531 3.277 -29.450 1.00 0.00 H new ATOM 0 HA VAL A 10 47.595 2.292 -32.029 1.00 0.00 H new ATOM 0 HB VAL A 10 46.119 4.589 -30.735 1.00 0.00 H new ATOM 0 HG11 VAL A 10 44.356 3.916 -32.314 1.00 0.00 H new ATOM 0 HG12 VAL A 10 45.890 4.264 -33.145 1.00 0.00 H new ATOM 0 HG13 VAL A 10 45.382 2.578 -32.884 1.00 0.00 H new ATOM 0 HG21 VAL A 10 44.355 3.028 -30.012 1.00 0.00 H new ATOM 0 HG22 VAL A 10 45.383 1.654 -30.485 1.00 0.00 H new ATOM 0 HG23 VAL A 10 45.890 2.730 -29.161 1.00 0.00 H new ATOM 135 N VAL A 11 48.557 4.338 -33.138 1.00 0.00 N ATOM 136 CA VAL A 11 49.330 5.403 -33.764 1.00 0.00 C ATOM 137 C VAL A 11 48.439 6.305 -34.607 1.00 0.00 C ATOM 138 O VAL A 11 48.432 6.218 -35.835 1.00 0.00 O ATOM 139 CB VAL A 11 50.455 4.836 -34.653 1.00 0.00 C ATOM 140 CG1 VAL A 11 51.101 5.944 -35.474 1.00 0.00 C ATOM 141 CG2 VAL A 11 51.492 4.118 -33.804 1.00 0.00 C ATOM 0 H VAL A 11 48.157 3.667 -33.794 1.00 0.00 H new ATOM 0 HA VAL A 11 49.774 5.986 -32.957 1.00 0.00 H new ATOM 0 HB VAL A 11 50.019 4.114 -35.343 1.00 0.00 H new ATOM 0 HG11 VAL A 11 51.892 5.523 -36.094 1.00 0.00 H new ATOM 0 HG12 VAL A 11 50.349 6.410 -36.111 1.00 0.00 H new ATOM 0 HG13 VAL A 11 51.524 6.693 -34.805 1.00 0.00 H new ATOM 0 HG21 VAL A 11 52.279 3.724 -34.447 1.00 0.00 H new ATOM 0 HG22 VAL A 11 51.924 4.818 -33.089 1.00 0.00 H new ATOM 0 HG23 VAL A 11 51.017 3.297 -33.267 1.00 0.00 H new ATOM 151 N TYR A 12 47.695 7.176 -33.938 1.00 0.00 N ATOM 152 CA TYR A 12 46.805 8.104 -34.622 1.00 0.00 C ATOM 153 C TYR A 12 47.607 9.145 -35.391 1.00 0.00 C ATOM 154 O TYR A 12 48.807 9.302 -35.176 1.00 0.00 O ATOM 155 CB TYR A 12 45.891 8.812 -33.621 1.00 0.00 C ATOM 156 CG TYR A 12 45.085 7.874 -32.758 1.00 0.00 C ATOM 157 CD1 TYR A 12 44.057 7.114 -33.297 1.00 0.00 C ATOM 158 CD2 TYR A 12 45.356 7.750 -31.403 1.00 0.00 C ATOM 159 CE1 TYR A 12 43.318 6.254 -32.508 1.00 0.00 C ATOM 160 CE2 TYR A 12 44.622 6.892 -30.606 1.00 0.00 C ATOM 161 CZ TYR A 12 43.605 6.146 -31.163 1.00 0.00 C ATOM 162 OH TYR A 12 42.872 5.291 -30.373 1.00 0.00 O ATOM 0 H TYR A 12 47.690 7.259 -32.921 1.00 0.00 H new ATOM 0 HA TYR A 12 46.196 7.530 -35.320 1.00 0.00 H new ATOM 0 HB2 TYR A 12 46.498 9.450 -32.978 1.00 0.00 H new ATOM 0 HB3 TYR A 12 45.209 9.465 -34.166 1.00 0.00 H new ATOM 0 HD1 TYR A 12 43.831 7.196 -34.350 1.00 0.00 H new ATOM 0 HD2 TYR A 12 46.153 8.333 -30.964 1.00 0.00 H new ATOM 0 HE1 TYR A 12 42.520 5.669 -32.942 1.00 0.00 H new ATOM 0 HE2 TYR A 12 44.844 6.806 -29.553 1.00 0.00 H new ATOM 0 HH TYR A 12 42.422 5.802 -29.668 1.00 0.00 H new ATOM 172 N SER A 13 46.929 9.864 -36.273 1.00 0.00 N ATOM 173 CA SER A 13 47.570 10.905 -37.062 1.00 0.00 C ATOM 174 C SER A 13 46.762 12.196 -36.985 1.00 0.00 C ATOM 175 O SER A 13 45.535 12.172 -37.070 1.00 0.00 O ATOM 176 CB SER A 13 47.724 10.456 -38.515 1.00 0.00 C ATOM 177 OG SER A 13 48.836 9.590 -38.666 1.00 0.00 O ATOM 0 H SER A 13 45.933 9.745 -36.460 1.00 0.00 H new ATOM 0 HA SER A 13 48.563 11.091 -36.653 1.00 0.00 H new ATOM 0 HB2 SER A 13 46.816 9.948 -38.840 1.00 0.00 H new ATOM 0 HB3 SER A 13 47.848 11.328 -39.157 1.00 0.00 H new ATOM 0 HG SER A 13 48.912 9.316 -39.604 1.00 0.00 H new ATOM 183 N VAL A 14 47.466 13.312 -36.808 1.00 0.00 N ATOM 184 CA VAL A 14 46.841 14.630 -36.698 1.00 0.00 C ATOM 185 C VAL A 14 45.449 14.670 -37.323 1.00 0.00 C ATOM 186 O VAL A 14 45.288 15.051 -38.482 1.00 0.00 O ATOM 187 CB VAL A 14 47.714 15.715 -37.358 1.00 0.00 C ATOM 188 CG1 VAL A 14 48.126 15.290 -38.758 1.00 0.00 C ATOM 189 CG2 VAL A 14 46.979 17.046 -37.390 1.00 0.00 C ATOM 0 H VAL A 14 48.483 13.329 -36.737 1.00 0.00 H new ATOM 0 HA VAL A 14 46.745 14.830 -35.631 1.00 0.00 H new ATOM 0 HB VAL A 14 48.618 15.841 -36.762 1.00 0.00 H new ATOM 0 HG11 VAL A 14 48.742 16.069 -39.208 1.00 0.00 H new ATOM 0 HG12 VAL A 14 48.696 14.363 -38.704 1.00 0.00 H new ATOM 0 HG13 VAL A 14 47.236 15.134 -39.367 1.00 0.00 H new ATOM 0 HG21 VAL A 14 47.611 17.800 -37.860 1.00 0.00 H new ATOM 0 HG22 VAL A 14 46.057 16.939 -37.961 1.00 0.00 H new ATOM 0 HG23 VAL A 14 46.741 17.355 -36.372 1.00 0.00 H new ATOM 199 N GLY A 15 44.441 14.284 -36.540 1.00 0.00 N ATOM 200 CA GLY A 15 43.074 14.295 -37.029 1.00 0.00 C ATOM 201 C GLY A 15 42.392 12.942 -36.938 1.00 0.00 C ATOM 202 O GLY A 15 41.234 12.802 -37.334 1.00 0.00 O ATOM 0 H GLY A 15 44.549 13.965 -35.577 1.00 0.00 H new ATOM 0 HA2 GLY A 15 42.498 15.024 -36.459 1.00 0.00 H new ATOM 0 HA3 GLY A 15 43.070 14.627 -38.067 1.00 0.00 H new ATOM 206 N MET A 16 43.096 11.945 -36.413 1.00 0.00 N ATOM 207 CA MET A 16 42.530 10.608 -36.275 1.00 0.00 C ATOM 208 C MET A 16 42.059 10.365 -34.846 1.00 0.00 C ATOM 209 O MET A 16 42.504 9.428 -34.183 1.00 0.00 O ATOM 210 CB MET A 16 43.555 9.548 -36.680 1.00 0.00 C ATOM 211 CG MET A 16 42.972 8.438 -37.540 1.00 0.00 C ATOM 212 SD MET A 16 43.081 6.819 -36.755 1.00 0.00 S ATOM 213 CE MET A 16 44.835 6.489 -36.903 1.00 0.00 C ATOM 0 H MET A 16 44.055 12.036 -36.077 1.00 0.00 H new ATOM 0 HA MET A 16 41.669 10.534 -36.939 1.00 0.00 H new ATOM 0 HB2 MET A 16 44.368 10.029 -37.224 1.00 0.00 H new ATOM 0 HB3 MET A 16 43.988 9.110 -35.781 1.00 0.00 H new ATOM 0 HG2 MET A 16 41.928 8.662 -37.757 1.00 0.00 H new ATOM 0 HG3 MET A 16 43.497 8.410 -38.495 1.00 0.00 H new ATOM 0 HE1 MET A 16 45.185 5.972 -36.009 1.00 0.00 H new ATOM 0 HE2 MET A 16 45.015 5.864 -37.778 1.00 0.00 H new ATOM 0 HE3 MET A 16 45.374 7.430 -37.012 1.00 0.00 H new ATOM 223 N GLN A 17 41.159 11.223 -34.377 1.00 0.00 N ATOM 224 CA GLN A 17 40.621 11.116 -33.025 1.00 0.00 C ATOM 225 C GLN A 17 40.244 9.676 -32.690 1.00 0.00 C ATOM 226 O GLN A 17 40.363 8.779 -33.523 1.00 0.00 O ATOM 227 CB GLN A 17 39.396 12.018 -32.869 1.00 0.00 C ATOM 228 CG GLN A 17 38.602 12.195 -34.153 1.00 0.00 C ATOM 229 CD GLN A 17 37.139 11.830 -33.989 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.531 11.241 -34.883 1.00 0.00 O ATOM 231 NE2 GLN A 17 36.567 12.178 -32.843 1.00 0.00 N ATOM 0 H GLN A 17 40.785 12.004 -34.916 1.00 0.00 H new ATOM 0 HA GLN A 17 41.399 11.437 -32.332 1.00 0.00 H new ATOM 0 HB2 GLN A 17 38.743 11.600 -32.103 1.00 0.00 H new ATOM 0 HB3 GLN A 17 39.719 12.997 -32.514 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.679 13.231 -34.484 1.00 0.00 H new ATOM 0 HG3 GLN A 17 39.041 11.577 -34.936 1.00 0.00 H new ATOM 0 HE21 GLN A 17 37.109 12.665 -32.130 1.00 0.00 H new ATOM 0 HE22 GLN A 17 35.585 11.958 -32.676 1.00 0.00 H new ATOM 240 N TRP A 18 39.785 9.470 -31.460 1.00 0.00 N ATOM 241 CA TRP A 18 39.383 8.147 -30.999 1.00 0.00 C ATOM 242 C TRP A 18 38.509 8.262 -29.750 1.00 0.00 C ATOM 243 O TRP A 18 37.974 9.331 -29.453 1.00 0.00 O ATOM 244 CB TRP A 18 40.618 7.294 -30.711 1.00 0.00 C ATOM 245 CG TRP A 18 41.522 7.914 -29.698 1.00 0.00 C ATOM 246 CD1 TRP A 18 41.494 7.722 -28.348 1.00 0.00 C ATOM 247 CD2 TRP A 18 42.579 8.841 -29.954 1.00 0.00 C ATOM 248 NE1 TRP A 18 42.471 8.473 -27.747 1.00 0.00 N ATOM 249 CE2 TRP A 18 43.152 9.171 -28.713 1.00 0.00 C ATOM 250 CE3 TRP A 18 43.097 9.424 -31.114 1.00 0.00 C ATOM 251 CZ2 TRP A 18 44.217 10.060 -28.600 1.00 0.00 C ATOM 252 CZ3 TRP A 18 44.155 10.304 -31.000 1.00 0.00 C ATOM 253 CH2 TRP A 18 44.704 10.615 -29.751 1.00 0.00 C ATOM 0 H TRP A 18 39.682 10.207 -30.762 1.00 0.00 H new ATOM 0 HA TRP A 18 38.800 7.664 -31.783 1.00 0.00 H new ATOM 0 HB2 TRP A 18 40.302 6.312 -30.358 1.00 0.00 H new ATOM 0 HB3 TRP A 18 41.170 7.137 -31.637 1.00 0.00 H new ATOM 0 HD1 TRP A 18 40.804 7.074 -27.829 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.661 8.507 -26.745 1.00 0.00 H new ATOM 0 HE3 TRP A 18 42.678 9.191 -32.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.643 10.303 -27.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 44.565 10.760 -31.889 1.00 0.00 H new ATOM 0 HH2 TRP A 18 45.530 11.308 -29.695 1.00 0.00 H new ATOM 264 N LEU A 19 38.360 7.159 -29.023 1.00 0.00 N ATOM 265 CA LEU A 19 37.538 7.151 -27.818 1.00 0.00 C ATOM 266 C LEU A 19 38.289 6.550 -26.637 1.00 0.00 C ATOM 267 O LEU A 19 38.846 5.457 -26.732 1.00 0.00 O ATOM 268 CB LEU A 19 36.251 6.357 -28.060 1.00 0.00 C ATOM 269 CG LEU A 19 35.019 7.191 -28.415 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.740 8.228 -27.338 1.00 0.00 C ATOM 271 CD2 LEU A 19 35.197 7.860 -29.769 1.00 0.00 C ATOM 0 H LEU A 19 38.795 6.264 -29.246 1.00 0.00 H new ATOM 0 HA LEU A 19 37.291 8.186 -27.580 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.430 5.645 -28.865 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.029 5.776 -27.165 1.00 0.00 H new ATOM 0 HG LEU A 19 34.161 6.522 -28.473 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.860 8.809 -27.612 1.00 0.00 H new ATOM 0 HD12 LEU A 19 34.562 7.726 -26.387 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.598 8.893 -27.242 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.310 8.449 -30.003 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.069 8.513 -29.740 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.340 7.098 -30.535 1.00 0.00 H new ATOM 283 N LYS A 20 38.287 7.268 -25.519 1.00 0.00 N ATOM 284 CA LYS A 20 38.957 6.796 -24.312 1.00 0.00 C ATOM 285 C LYS A 20 37.939 6.459 -23.227 1.00 0.00 C ATOM 286 O LYS A 20 37.028 7.239 -22.953 1.00 0.00 O ATOM 287 CB LYS A 20 39.941 7.845 -23.798 1.00 0.00 C ATOM 288 CG LYS A 20 41.220 7.252 -23.227 1.00 0.00 C ATOM 289 CD LYS A 20 42.331 7.215 -24.263 1.00 0.00 C ATOM 290 CE LYS A 20 42.036 6.208 -25.364 1.00 0.00 C ATOM 291 NZ LYS A 20 41.926 4.822 -24.834 1.00 0.00 N ATOM 0 H LYS A 20 37.831 8.175 -25.423 1.00 0.00 H new ATOM 0 HA LYS A 20 39.510 5.891 -24.565 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.197 8.522 -24.613 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.453 8.443 -23.029 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.542 7.840 -22.368 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.024 6.242 -22.867 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.456 8.206 -24.699 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.273 6.959 -23.778 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.107 6.480 -25.865 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.826 6.248 -26.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.575 4.199 -25.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 42.176 4.816 -23.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 40.950 4.482 -24.952 1.00 0.00 H new ATOM 379 N GLN A 26 33.661 7.780 -19.352 1.00 0.00 N ATOM 380 CA GLN A 26 33.691 7.957 -20.798 1.00 0.00 C ATOM 381 C GLN A 26 34.472 9.215 -21.170 1.00 0.00 C ATOM 382 O GLN A 26 34.148 10.314 -20.719 1.00 0.00 O ATOM 383 CB GLN A 26 32.269 8.036 -21.357 1.00 0.00 C ATOM 384 CG GLN A 26 31.555 6.694 -21.390 1.00 0.00 C ATOM 385 CD GLN A 26 30.322 6.666 -20.508 1.00 0.00 C ATOM 386 OE1 GLN A 26 30.155 7.510 -19.627 1.00 0.00 O ATOM 387 NE2 GLN A 26 29.449 5.692 -20.742 1.00 0.00 N ATOM 0 HA GLN A 26 34.193 7.094 -21.237 1.00 0.00 H new ATOM 0 HB2 GLN A 26 31.688 8.733 -20.753 1.00 0.00 H new ATOM 0 HB3 GLN A 26 32.306 8.444 -22.367 1.00 0.00 H new ATOM 0 HG2 GLN A 26 31.268 6.465 -22.416 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.244 5.912 -21.070 1.00 0.00 H new ATOM 0 HE21 GLN A 26 29.628 5.014 -21.483 1.00 0.00 H new ATOM 0 HE22 GLN A 26 28.600 5.622 -20.181 1.00 0.00 H new ATOM 396 N MET A 27 35.503 9.045 -21.990 1.00 0.00 N ATOM 397 CA MET A 27 36.334 10.165 -22.417 1.00 0.00 C ATOM 398 C MET A 27 36.620 10.090 -23.914 1.00 0.00 C ATOM 399 O MET A 27 37.046 9.053 -24.421 1.00 0.00 O ATOM 400 CB MET A 27 37.651 10.169 -21.638 1.00 0.00 C ATOM 401 CG MET A 27 37.999 11.518 -21.032 1.00 0.00 C ATOM 402 SD MET A 27 39.764 11.879 -21.104 1.00 0.00 S ATOM 403 CE MET A 27 39.818 13.468 -20.279 1.00 0.00 C ATOM 0 H MET A 27 35.784 8.142 -22.373 1.00 0.00 H new ATOM 0 HA MET A 27 35.792 11.088 -22.214 1.00 0.00 H new ATOM 0 HB2 MET A 27 37.594 9.427 -20.842 1.00 0.00 H new ATOM 0 HB3 MET A 27 38.457 9.861 -22.304 1.00 0.00 H new ATOM 0 HG2 MET A 27 37.451 12.300 -21.557 1.00 0.00 H new ATOM 0 HG3 MET A 27 37.670 11.541 -19.993 1.00 0.00 H new ATOM 0 HE1 MET A 27 40.847 13.825 -20.244 1.00 0.00 H new ATOM 0 HE2 MET A 27 39.204 14.183 -20.826 1.00 0.00 H new ATOM 0 HE3 MET A 27 39.436 13.364 -19.264 1.00 0.00 H new ATOM 413 N LEU A 28 36.388 11.195 -24.616 1.00 0.00 N ATOM 414 CA LEU A 28 36.632 11.243 -26.055 1.00 0.00 C ATOM 415 C LEU A 28 37.950 11.947 -26.351 1.00 0.00 C ATOM 416 O LEU A 28 38.175 13.071 -25.905 1.00 0.00 O ATOM 417 CB LEU A 28 35.488 11.956 -26.773 1.00 0.00 C ATOM 418 CG LEU A 28 35.615 11.987 -28.295 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.017 10.731 -28.907 1.00 0.00 C ATOM 420 CD2 LEU A 28 34.945 13.229 -28.862 1.00 0.00 C ATOM 0 H LEU A 28 36.034 12.064 -24.216 1.00 0.00 H new ATOM 0 HA LEU A 28 36.690 10.218 -26.422 1.00 0.00 H new ATOM 0 HB2 LEU A 28 34.550 11.467 -26.509 1.00 0.00 H new ATOM 0 HB3 LEU A 28 35.428 12.980 -26.405 1.00 0.00 H new ATOM 0 HG LEU A 28 36.674 12.022 -28.550 1.00 0.00 H new ATOM 0 HD11 LEU A 28 35.117 10.772 -29.992 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.543 9.855 -28.527 1.00 0.00 H new ATOM 0 HD13 LEU A 28 33.962 10.664 -28.642 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.046 13.233 -29.947 1.00 0.00 H new ATOM 0 HD22 LEU A 28 33.888 13.226 -28.596 1.00 0.00 H new ATOM 0 HD23 LEU A 28 35.420 14.119 -28.450 1.00 0.00 H new ATOM 432 N CYS A 29 38.822 11.277 -27.099 1.00 0.00 N ATOM 433 CA CYS A 29 40.124 11.841 -27.440 1.00 0.00 C ATOM 434 C CYS A 29 40.204 12.229 -28.913 1.00 0.00 C ATOM 435 O CYS A 29 39.654 11.549 -29.779 1.00 0.00 O ATOM 436 CB CYS A 29 41.229 10.839 -27.111 1.00 0.00 C ATOM 437 SG CYS A 29 41.880 10.977 -25.415 1.00 0.00 S ATOM 0 H CYS A 29 38.651 10.346 -27.479 1.00 0.00 H new ATOM 0 HA CYS A 29 40.258 12.746 -26.847 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.845 9.830 -27.260 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.049 10.975 -27.816 1.00 0.00 H new ATOM 442 N THR A 30 40.909 13.323 -29.183 1.00 0.00 N ATOM 443 CA THR A 30 41.090 13.809 -30.549 1.00 0.00 C ATOM 444 C THR A 30 42.422 14.527 -30.690 1.00 0.00 C ATOM 445 O THR A 30 42.756 15.400 -29.888 1.00 0.00 O ATOM 446 CB THR A 30 39.968 14.775 -30.978 1.00 0.00 C ATOM 447 OG1 THR A 30 38.711 14.088 -31.008 1.00 0.00 O ATOM 448 CG2 THR A 30 40.266 15.363 -32.354 1.00 0.00 C ATOM 0 H THR A 30 41.367 13.893 -28.471 1.00 0.00 H new ATOM 0 HA THR A 30 41.062 12.931 -31.195 1.00 0.00 H new ATOM 0 HB THR A 30 39.916 15.587 -30.252 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.005 14.710 -31.280 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.463 16.043 -32.641 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.209 15.909 -32.320 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.339 14.558 -33.086 1.00 0.00 H new ATOM 456 N CYS A 31 43.185 14.160 -31.712 1.00 0.00 N ATOM 457 CA CYS A 31 44.481 14.781 -31.944 1.00 0.00 C ATOM 458 C CYS A 31 44.408 15.797 -33.074 1.00 0.00 C ATOM 459 O CYS A 31 44.536 15.453 -34.249 1.00 0.00 O ATOM 460 CB CYS A 31 45.538 13.721 -32.244 1.00 0.00 C ATOM 461 SG CYS A 31 45.101 12.592 -33.602 1.00 0.00 S ATOM 0 H CYS A 31 42.930 13.440 -32.389 1.00 0.00 H new ATOM 0 HA CYS A 31 44.768 15.309 -31.035 1.00 0.00 H new ATOM 0 HB2 CYS A 31 46.476 14.219 -32.489 1.00 0.00 H new ATOM 0 HB3 CYS A 31 45.714 13.135 -31.342 1.00 0.00 H new ATOM 466 N LEU A 32 44.205 17.055 -32.700 1.00 0.00 N ATOM 467 CA LEU A 32 44.114 18.141 -33.662 1.00 0.00 C ATOM 468 C LEU A 32 45.516 18.576 -34.103 1.00 0.00 C ATOM 469 O LEU A 32 46.459 17.786 -34.045 1.00 0.00 O ATOM 470 CB LEU A 32 43.340 19.302 -33.032 1.00 0.00 C ATOM 471 CG LEU A 32 43.761 19.641 -31.604 1.00 0.00 C ATOM 472 CD1 LEU A 32 44.189 21.094 -31.501 1.00 0.00 C ATOM 473 CD2 LEU A 32 42.628 19.344 -30.632 1.00 0.00 C ATOM 0 H LEU A 32 44.100 17.347 -31.728 1.00 0.00 H new ATOM 0 HA LEU A 32 43.580 17.807 -34.551 1.00 0.00 H new ATOM 0 HB2 LEU A 32 43.467 20.187 -33.655 1.00 0.00 H new ATOM 0 HB3 LEU A 32 42.277 19.059 -33.036 1.00 0.00 H new ATOM 0 HG LEU A 32 44.615 19.017 -31.339 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.485 21.314 -30.475 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.032 21.273 -32.168 1.00 0.00 H new ATOM 0 HD13 LEU A 32 43.358 21.739 -31.785 1.00 0.00 H new ATOM 0 HD21 LEU A 32 42.944 19.591 -29.618 1.00 0.00 H new ATOM 0 HD22 LEU A 32 41.756 19.942 -30.896 1.00 0.00 H new ATOM 0 HD23 LEU A 32 42.372 18.286 -30.684 1.00 0.00 H new ATOM 485 N GLY A 33 45.656 19.822 -34.551 1.00 0.00 N ATOM 486 CA GLY A 33 46.949 20.307 -34.998 1.00 0.00 C ATOM 487 C GLY A 33 47.895 20.632 -33.857 1.00 0.00 C ATOM 488 O GLY A 33 49.111 20.501 -33.997 1.00 0.00 O ATOM 0 H GLY A 33 44.898 20.502 -34.612 1.00 0.00 H new ATOM 0 HA2 GLY A 33 47.409 19.556 -35.640 1.00 0.00 H new ATOM 0 HA3 GLY A 33 46.804 21.200 -35.606 1.00 0.00 H new ATOM 492 N ASN A 34 47.343 21.062 -32.727 1.00 0.00 N ATOM 493 CA ASN A 34 48.158 21.411 -31.567 1.00 0.00 C ATOM 494 C ASN A 34 48.814 20.171 -30.965 1.00 0.00 C ATOM 495 O ASN A 34 49.973 20.206 -30.551 1.00 0.00 O ATOM 496 CB ASN A 34 47.309 22.146 -30.516 1.00 0.00 C ATOM 497 CG ASN A 34 46.863 21.256 -29.368 1.00 0.00 C ATOM 498 OD1 ASN A 34 46.196 20.242 -29.575 1.00 0.00 O ATOM 499 ND2 ASN A 34 47.235 21.633 -28.150 1.00 0.00 N ATOM 0 H ASN A 34 46.339 21.177 -32.589 1.00 0.00 H new ATOM 0 HA ASN A 34 48.952 22.080 -31.898 1.00 0.00 H new ATOM 0 HB2 ASN A 34 47.883 22.981 -30.116 1.00 0.00 H new ATOM 0 HB3 ASN A 34 46.429 22.568 -31.002 1.00 0.00 H new ATOM 0 HD21 ASN A 34 46.968 21.074 -27.339 1.00 0.00 H new ATOM 0 HD22 ASN A 34 47.788 22.481 -28.025 1.00 0.00 H new ATOM 506 N GLY A 35 48.064 19.076 -30.921 1.00 0.00 N ATOM 507 CA GLY A 35 48.588 17.840 -30.369 1.00 0.00 C ATOM 508 C GLY A 35 47.511 16.799 -30.143 1.00 0.00 C ATOM 509 O GLY A 35 47.066 16.142 -31.084 1.00 0.00 O ATOM 0 H GLY A 35 47.103 19.022 -31.258 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.342 17.436 -31.044 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.087 18.052 -29.424 1.00 0.00 H new ATOM 513 N VAL A 36 47.089 16.650 -28.891 1.00 0.00 N ATOM 514 CA VAL A 36 46.056 15.682 -28.539 1.00 0.00 C ATOM 515 C VAL A 36 45.233 16.167 -27.351 1.00 0.00 C ATOM 516 O VAL A 36 45.736 16.273 -26.232 1.00 0.00 O ATOM 517 CB VAL A 36 46.662 14.298 -28.219 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.645 13.409 -27.519 1.00 0.00 C ATOM 519 CG2 VAL A 36 47.172 13.635 -29.487 1.00 0.00 C ATOM 0 H VAL A 36 47.447 17.188 -28.102 1.00 0.00 H new ATOM 0 HA VAL A 36 45.403 15.582 -29.406 1.00 0.00 H new ATOM 0 HB VAL A 36 47.505 14.443 -27.543 1.00 0.00 H new ATOM 0 HG11 VAL A 36 46.096 12.440 -27.304 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.332 13.878 -26.586 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.777 13.271 -28.164 1.00 0.00 H new ATOM 0 HG21 VAL A 36 47.596 12.661 -29.243 1.00 0.00 H new ATOM 0 HG22 VAL A 36 46.347 13.507 -30.188 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.940 14.261 -29.941 1.00 0.00 H new ATOM 529 N SER A 37 43.961 16.461 -27.605 1.00 0.00 N ATOM 530 CA SER A 37 43.060 16.937 -26.562 1.00 0.00 C ATOM 531 C SER A 37 41.823 16.050 -26.461 1.00 0.00 C ATOM 532 O SER A 37 41.274 15.615 -27.473 1.00 0.00 O ATOM 533 CB SER A 37 42.642 18.382 -26.842 1.00 0.00 C ATOM 534 OG SER A 37 42.326 19.063 -25.641 1.00 0.00 O ATOM 0 H SER A 37 43.531 16.377 -28.526 1.00 0.00 H new ATOM 0 HA SER A 37 43.592 16.895 -25.612 1.00 0.00 H new ATOM 0 HB2 SER A 37 43.448 18.904 -27.358 1.00 0.00 H new ATOM 0 HB3 SER A 37 41.779 18.392 -27.507 1.00 0.00 H new ATOM 0 HG SER A 37 42.064 19.985 -25.847 1.00 0.00 H new ATOM 540 N CYS A 38 41.390 15.787 -25.233 1.00 0.00 N ATOM 541 CA CYS A 38 40.216 14.955 -24.998 1.00 0.00 C ATOM 542 C CYS A 38 39.278 15.617 -23.994 1.00 0.00 C ATOM 543 O CYS A 38 39.661 16.561 -23.303 1.00 0.00 O ATOM 544 CB CYS A 38 40.637 13.576 -24.486 1.00 0.00 C ATOM 545 SG CYS A 38 42.204 12.966 -25.185 1.00 0.00 S ATOM 0 H CYS A 38 41.835 16.138 -24.385 1.00 0.00 H new ATOM 0 HA CYS A 38 39.687 14.837 -25.944 1.00 0.00 H new ATOM 0 HB2 CYS A 38 40.728 13.616 -23.401 1.00 0.00 H new ATOM 0 HB3 CYS A 38 39.847 12.860 -24.714 1.00 0.00 H new ATOM 550 N GLN A 39 38.048 15.120 -23.920 1.00 0.00 N ATOM 551 CA GLN A 39 37.059 15.670 -22.999 1.00 0.00 C ATOM 552 C GLN A 39 36.492 14.586 -22.088 1.00 0.00 C ATOM 553 O GLN A 39 35.934 13.595 -22.559 1.00 0.00 O ATOM 554 CB GLN A 39 35.926 16.342 -23.776 1.00 0.00 C ATOM 555 CG GLN A 39 36.106 17.842 -23.938 1.00 0.00 C ATOM 556 CD GLN A 39 34.791 18.567 -24.149 1.00 0.00 C ATOM 557 OE1 GLN A 39 34.540 19.609 -23.544 1.00 0.00 O ATOM 558 NE2 GLN A 39 33.943 18.017 -25.009 1.00 0.00 N ATOM 0 H GLN A 39 37.712 14.340 -24.485 1.00 0.00 H new ATOM 0 HA GLN A 39 37.558 16.414 -22.377 1.00 0.00 H new ATOM 0 HB2 GLN A 39 35.852 15.885 -24.763 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.983 16.151 -23.265 1.00 0.00 H new ATOM 0 HG2 GLN A 39 36.600 18.243 -23.053 1.00 0.00 H new ATOM 0 HG3 GLN A 39 36.764 18.036 -24.785 1.00 0.00 H new ATOM 0 HE21 GLN A 39 34.192 17.152 -25.489 1.00 0.00 H new ATOM 0 HE22 GLN A 39 33.042 18.459 -25.190 1.00 0.00 H new ATOM 636 N GLN A 45 28.656 22.623 -22.914 1.00 0.00 N ATOM 637 CA GLN A 45 27.723 23.661 -22.490 1.00 0.00 C ATOM 638 C GLN A 45 26.480 23.683 -23.376 1.00 0.00 C ATOM 639 O GLN A 45 26.482 23.145 -24.483 1.00 0.00 O ATOM 640 CB GLN A 45 28.405 25.029 -22.518 1.00 0.00 C ATOM 641 CG GLN A 45 29.769 25.039 -21.851 1.00 0.00 C ATOM 642 CD GLN A 45 30.050 26.337 -21.118 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.060 26.379 -19.888 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.279 27.406 -21.873 1.00 0.00 N ATOM 0 HA GLN A 45 27.412 23.434 -21.470 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.513 25.351 -23.554 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.762 25.757 -22.023 1.00 0.00 H new ATOM 0 HG2 GLN A 45 29.832 24.208 -21.148 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.539 24.878 -22.605 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.261 27.326 -22.890 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.473 28.307 -21.436 1.00 0.00 H new ATOM 653 N THR A 46 25.422 24.315 -22.877 1.00 0.00 N ATOM 654 CA THR A 46 24.167 24.420 -23.612 1.00 0.00 C ATOM 655 C THR A 46 23.404 25.674 -23.199 1.00 0.00 C ATOM 656 O THR A 46 23.125 25.878 -22.017 1.00 0.00 O ATOM 657 CB THR A 46 23.274 23.186 -23.382 1.00 0.00 C ATOM 658 OG1 THR A 46 23.194 22.893 -21.981 1.00 0.00 O ATOM 659 CG2 THR A 46 23.820 21.978 -24.127 1.00 0.00 C ATOM 0 H THR A 46 25.410 24.764 -21.961 1.00 0.00 H new ATOM 0 HA THR A 46 24.418 24.478 -24.671 1.00 0.00 H new ATOM 0 HB THR A 46 22.278 23.409 -23.764 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.805 22.003 -21.855 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.173 21.119 -23.950 1.00 0.00 H new ATOM 0 HG22 THR A 46 23.853 22.193 -25.195 1.00 0.00 H new ATOM 0 HG23 THR A 46 24.826 21.755 -23.771 1.00 0.00 H new ATOM 667 N TYR A 47 23.079 26.520 -24.173 1.00 0.00 N ATOM 668 CA TYR A 47 22.360 27.759 -23.891 1.00 0.00 C ATOM 669 C TYR A 47 20.881 27.650 -24.245 1.00 0.00 C ATOM 670 O TYR A 47 20.025 28.170 -23.529 1.00 0.00 O ATOM 671 CB TYR A 47 22.991 28.927 -24.650 1.00 0.00 C ATOM 672 CG TYR A 47 23.376 28.597 -26.074 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.411 28.474 -27.065 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.707 28.414 -26.428 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.760 28.177 -28.368 1.00 0.00 C ATOM 676 CE2 TYR A 47 25.064 28.116 -27.730 1.00 0.00 C ATOM 677 CZ TYR A 47 24.087 27.999 -28.696 1.00 0.00 C ATOM 678 OH TYR A 47 24.439 27.704 -29.993 1.00 0.00 O ATOM 0 H TYR A 47 23.300 26.372 -25.158 1.00 0.00 H new ATOM 0 HA TYR A 47 22.436 27.941 -22.819 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.291 29.763 -24.658 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.879 29.260 -24.112 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.370 28.613 -26.813 1.00 0.00 H new ATOM 0 HD2 TYR A 47 25.475 28.506 -25.674 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.997 28.085 -29.126 1.00 0.00 H new ATOM 0 HE2 TYR A 47 26.103 27.976 -27.989 1.00 0.00 H new ATOM 0 HH TYR A 47 25.340 27.319 -30.008 1.00 0.00 H new ATOM 688 N GLY A 48 20.580 26.982 -25.352 1.00 0.00 N ATOM 689 CA GLY A 48 19.199 26.838 -25.766 1.00 0.00 C ATOM 690 C GLY A 48 18.964 25.630 -26.651 1.00 0.00 C ATOM 691 O GLY A 48 19.033 24.491 -26.189 1.00 0.00 O ATOM 0 H GLY A 48 21.264 26.540 -25.967 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.567 26.760 -24.881 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.891 27.737 -26.300 1.00 0.00 H new ATOM 695 N GLY A 49 18.670 25.881 -27.923 1.00 0.00 N ATOM 696 CA GLY A 49 18.411 24.795 -28.851 1.00 0.00 C ATOM 697 C GLY A 49 16.978 24.315 -28.770 1.00 0.00 C ATOM 698 O GLY A 49 16.094 24.855 -29.436 1.00 0.00 O ATOM 0 H GLY A 49 18.607 26.815 -28.327 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.626 25.126 -29.867 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.085 23.965 -28.637 1.00 0.00 H new ATOM 702 N ASN A 50 16.743 23.305 -27.941 1.00 0.00 N ATOM 703 CA ASN A 50 15.406 22.757 -27.761 1.00 0.00 C ATOM 704 C ASN A 50 15.141 22.454 -26.288 1.00 0.00 C ATOM 705 O ASN A 50 14.132 21.840 -25.943 1.00 0.00 O ATOM 706 CB ASN A 50 15.231 21.489 -28.597 1.00 0.00 C ATOM 707 CG ASN A 50 14.256 21.683 -29.743 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.272 20.955 -29.867 1.00 0.00 O ATOM 709 ND2 ASN A 50 14.526 22.671 -30.589 1.00 0.00 N ATOM 0 H ASN A 50 17.464 22.848 -27.382 1.00 0.00 H new ATOM 0 HA ASN A 50 14.685 23.502 -28.098 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.199 21.182 -28.994 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.879 20.680 -27.957 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.906 22.850 -31.379 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.353 23.251 -30.449 1.00 0.00 H new ATOM 716 N SER A 51 16.058 22.887 -25.424 1.00 0.00 N ATOM 717 CA SER A 51 15.922 22.659 -23.989 1.00 0.00 C ATOM 718 C SER A 51 16.217 23.929 -23.191 1.00 0.00 C ATOM 719 O SER A 51 16.133 23.927 -21.963 1.00 0.00 O ATOM 720 CB SER A 51 16.861 21.535 -23.545 1.00 0.00 C ATOM 721 OG SER A 51 16.247 20.717 -22.564 1.00 0.00 O ATOM 0 H SER A 51 16.900 23.396 -25.693 1.00 0.00 H new ATOM 0 HA SER A 51 14.890 22.369 -23.793 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.140 20.928 -24.406 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.780 21.962 -23.144 1.00 0.00 H new ATOM 0 HG SER A 51 15.640 20.083 -23.000 1.00 0.00 H new ATOM 727 N ASN A 52 16.562 25.009 -23.890 1.00 0.00 N ATOM 728 CA ASN A 52 16.864 26.278 -23.239 1.00 0.00 C ATOM 729 C ASN A 52 18.166 26.189 -22.447 1.00 0.00 C ATOM 730 O ASN A 52 18.409 26.985 -21.541 1.00 0.00 O ATOM 731 CB ASN A 52 15.715 26.690 -22.318 1.00 0.00 C ATOM 732 CG ASN A 52 16.027 27.948 -21.532 1.00 0.00 C ATOM 733 OD1 ASN A 52 16.208 27.905 -20.315 1.00 0.00 O ATOM 734 ND2 ASN A 52 16.091 29.079 -22.226 1.00 0.00 N ATOM 0 H ASN A 52 16.639 25.028 -24.907 1.00 0.00 H new ATOM 0 HA ASN A 52 16.985 27.035 -24.014 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.816 26.850 -22.913 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.498 25.877 -21.626 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.297 29.958 -21.751 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.934 29.069 -23.234 1.00 0.00 H new ATOM 741 N GLY A 53 19.000 25.215 -22.798 1.00 0.00 N ATOM 742 CA GLY A 53 20.268 25.041 -22.114 1.00 0.00 C ATOM 743 C GLY A 53 20.201 23.998 -21.014 1.00 0.00 C ATOM 744 O GLY A 53 20.236 24.333 -19.830 1.00 0.00 O ATOM 0 H GLY A 53 18.820 24.543 -23.544 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.030 24.752 -22.838 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.580 25.994 -21.687 1.00 0.00 H new ATOM 748 N GLU A 54 20.105 22.732 -21.404 1.00 0.00 N ATOM 749 CA GLU A 54 20.035 21.640 -20.440 1.00 0.00 C ATOM 750 C GLU A 54 21.149 20.626 -20.673 1.00 0.00 C ATOM 751 O GLU A 54 21.852 20.677 -21.682 1.00 0.00 O ATOM 752 CB GLU A 54 18.676 20.946 -20.518 1.00 0.00 C ATOM 753 CG GLU A 54 17.538 21.792 -19.978 1.00 0.00 C ATOM 754 CD GLU A 54 16.751 21.088 -18.890 1.00 0.00 C ATOM 755 OE1 GLU A 54 15.932 20.207 -19.226 1.00 0.00 O ATOM 756 OE2 GLU A 54 16.954 21.417 -17.702 1.00 0.00 O ATOM 0 H GLU A 54 20.074 22.437 -22.380 1.00 0.00 H new ATOM 0 HA GLU A 54 20.162 22.066 -19.445 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.467 20.688 -21.556 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.721 20.011 -19.960 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.940 22.725 -19.584 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.866 22.054 -20.795 1.00 0.00 H new ATOM 763 N PRO A 55 21.320 19.690 -19.730 1.00 0.00 N ATOM 764 CA PRO A 55 22.351 18.651 -19.812 1.00 0.00 C ATOM 765 C PRO A 55 22.082 17.654 -20.936 1.00 0.00 C ATOM 766 O PRO A 55 21.049 16.984 -20.951 1.00 0.00 O ATOM 767 CB PRO A 55 22.275 17.945 -18.451 1.00 0.00 C ATOM 768 CG PRO A 55 21.449 18.836 -17.582 1.00 0.00 C ATOM 769 CD PRO A 55 20.524 19.573 -18.506 1.00 0.00 C ATOM 0 HA PRO A 55 23.330 19.077 -20.029 1.00 0.00 H new ATOM 0 HB2 PRO A 55 21.820 16.959 -18.546 1.00 0.00 H new ATOM 0 HB3 PRO A 55 23.269 17.798 -18.029 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.888 18.256 -16.850 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.078 19.530 -17.025 1.00 0.00 H new ATOM 0 HD2 PRO A 55 19.598 19.023 -18.676 1.00 0.00 H new ATOM 0 HD3 PRO A 55 20.247 20.549 -18.108 1.00 0.00 H new ATOM 777 N CYS A 56 23.022 17.557 -21.870 1.00 0.00 N ATOM 778 CA CYS A 56 22.892 16.637 -22.995 1.00 0.00 C ATOM 779 C CYS A 56 22.865 15.192 -22.506 1.00 0.00 C ATOM 780 O CYS A 56 22.639 14.937 -21.323 1.00 0.00 O ATOM 781 CB CYS A 56 24.051 16.833 -23.969 1.00 0.00 C ATOM 782 SG CYS A 56 24.494 18.576 -24.257 1.00 0.00 S ATOM 0 H CYS A 56 23.883 18.104 -21.871 1.00 0.00 H new ATOM 0 HA CYS A 56 21.954 16.850 -23.507 1.00 0.00 H new ATOM 0 HB2 CYS A 56 24.925 16.305 -23.588 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.792 16.373 -24.923 1.00 0.00 H new ATOM 787 N VAL A 57 23.090 14.247 -23.415 1.00 0.00 N ATOM 788 CA VAL A 57 23.081 12.837 -23.049 1.00 0.00 C ATOM 789 C VAL A 57 24.039 12.011 -23.905 1.00 0.00 C ATOM 790 O VAL A 57 23.730 10.876 -24.269 1.00 0.00 O ATOM 791 CB VAL A 57 21.666 12.238 -23.160 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.296 11.993 -24.616 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.568 10.951 -22.355 1.00 0.00 C ATOM 0 H VAL A 57 23.279 14.431 -24.400 1.00 0.00 H new ATOM 0 HA VAL A 57 23.415 12.792 -22.013 1.00 0.00 H new ATOM 0 HB VAL A 57 20.957 12.956 -22.748 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.293 11.570 -24.670 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.322 12.936 -25.162 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.008 11.297 -25.060 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.562 10.542 -22.445 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.289 10.228 -22.736 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.783 11.160 -21.307 1.00 0.00 H new ATOM 803 N LEU A 58 25.206 12.569 -24.211 1.00 0.00 N ATOM 804 CA LEU A 58 26.196 11.847 -25.009 1.00 0.00 C ATOM 805 C LEU A 58 27.168 11.095 -24.107 1.00 0.00 C ATOM 806 O LEU A 58 27.211 11.324 -22.898 1.00 0.00 O ATOM 807 CB LEU A 58 26.982 12.785 -25.934 1.00 0.00 C ATOM 808 CG LEU A 58 26.415 14.193 -26.105 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.842 15.085 -24.955 1.00 0.00 C ATOM 810 CD2 LEU A 58 26.876 14.791 -27.425 1.00 0.00 C ATOM 0 H LEU A 58 25.489 13.506 -23.924 1.00 0.00 H new ATOM 0 HA LEU A 58 25.648 11.137 -25.629 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.000 12.869 -25.552 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.048 12.320 -26.918 1.00 0.00 H new ATOM 0 HG LEU A 58 25.327 14.125 -26.107 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.428 16.083 -25.096 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.476 14.669 -24.016 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.930 15.144 -24.925 1.00 0.00 H new ATOM 0 HD21 LEU A 58 26.464 15.794 -27.533 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.965 14.842 -27.441 1.00 0.00 H new ATOM 0 HD23 LEU A 58 26.530 14.166 -28.248 1.00 0.00 H new ATOM 822 N PRO A 59 27.966 10.186 -24.687 1.00 0.00 N ATOM 823 CA PRO A 59 27.933 9.897 -26.126 1.00 0.00 C ATOM 824 C PRO A 59 26.621 9.247 -26.545 1.00 0.00 C ATOM 825 O PRO A 59 26.281 8.160 -26.078 1.00 0.00 O ATOM 826 CB PRO A 59 29.097 8.921 -26.320 1.00 0.00 C ATOM 827 CG PRO A 59 29.286 8.292 -24.983 1.00 0.00 C ATOM 828 CD PRO A 59 28.964 9.364 -23.982 1.00 0.00 C ATOM 0 HA PRO A 59 28.015 10.801 -26.729 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.866 8.175 -27.080 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.999 9.439 -26.645 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.630 7.430 -24.859 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.308 7.935 -24.859 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.563 8.947 -23.058 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.847 9.944 -23.713 1.00 0.00 H new ATOM 836 N PHE A 60 25.879 9.919 -27.420 1.00 0.00 N ATOM 837 CA PHE A 60 24.601 9.393 -27.883 1.00 0.00 C ATOM 838 C PHE A 60 24.704 8.912 -29.325 1.00 0.00 C ATOM 839 O PHE A 60 25.768 8.986 -29.940 1.00 0.00 O ATOM 840 CB PHE A 60 23.515 10.460 -27.760 1.00 0.00 C ATOM 841 CG PHE A 60 23.865 11.739 -28.460 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.027 11.759 -29.834 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.038 12.917 -27.748 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.356 12.929 -30.489 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.363 14.088 -28.399 1.00 0.00 C ATOM 846 CZ PHE A 60 24.523 14.093 -29.770 1.00 0.00 C ATOM 0 H PHE A 60 26.138 10.821 -27.819 1.00 0.00 H new ATOM 0 HA PHE A 60 24.334 8.542 -27.256 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.584 10.071 -28.171 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.336 10.667 -26.705 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.895 10.849 -30.400 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.917 12.917 -26.675 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.482 12.932 -31.562 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.492 15.001 -27.837 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.779 15.010 -30.280 1.00 0.00 H new ATOM 856 N THR A 61 23.594 8.417 -29.856 1.00 0.00 N ATOM 857 CA THR A 61 23.562 7.920 -31.225 1.00 0.00 C ATOM 858 C THR A 61 22.468 8.607 -32.033 1.00 0.00 C ATOM 859 O THR A 61 21.308 8.642 -31.623 1.00 0.00 O ATOM 860 CB THR A 61 23.333 6.397 -31.265 1.00 0.00 C ATOM 861 OG1 THR A 61 23.639 5.823 -29.988 1.00 0.00 O ATOM 862 CG2 THR A 61 24.194 5.747 -32.338 1.00 0.00 C ATOM 0 H THR A 61 22.705 8.349 -29.360 1.00 0.00 H new ATOM 0 HA THR A 61 24.533 8.146 -31.666 1.00 0.00 H new ATOM 0 HB THR A 61 22.285 6.215 -31.504 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.490 4.855 -30.020 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.015 4.672 -32.347 1.00 0.00 H new ATOM 0 HG22 THR A 61 23.939 6.165 -33.312 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.246 5.938 -32.125 1.00 0.00 H new ATOM 870 N TYR A 62 22.847 9.151 -33.184 1.00 0.00 N ATOM 871 CA TYR A 62 21.897 9.835 -34.053 1.00 0.00 C ATOM 872 C TYR A 62 22.227 9.586 -35.519 1.00 0.00 C ATOM 873 O TYR A 62 23.383 9.678 -35.932 1.00 0.00 O ATOM 874 CB TYR A 62 21.897 11.338 -33.769 1.00 0.00 C ATOM 875 CG TYR A 62 21.106 12.137 -34.779 1.00 0.00 C ATOM 876 CD1 TYR A 62 19.724 12.021 -34.854 1.00 0.00 C ATOM 877 CD2 TYR A 62 21.742 13.003 -35.661 1.00 0.00 C ATOM 878 CE1 TYR A 62 18.998 12.746 -35.779 1.00 0.00 C ATOM 879 CE2 TYR A 62 21.021 13.730 -36.589 1.00 0.00 C ATOM 880 CZ TYR A 62 19.650 13.598 -36.644 1.00 0.00 C ATOM 881 OH TYR A 62 18.929 14.320 -37.567 1.00 0.00 O ATOM 0 H TYR A 62 23.804 9.132 -33.536 1.00 0.00 H new ATOM 0 HA TYR A 62 20.904 9.435 -33.846 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.485 11.513 -32.775 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.926 11.698 -33.756 1.00 0.00 H new ATOM 0 HD1 TYR A 62 19.209 11.354 -34.179 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.816 13.109 -35.620 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.924 12.646 -35.824 1.00 0.00 H new ATOM 0 HE2 TYR A 62 21.529 14.399 -37.268 1.00 0.00 H new ATOM 0 HH TYR A 62 18.310 14.920 -37.101 1.00 0.00 H new ATOM 891 N ASN A 63 21.201 9.273 -36.304 1.00 0.00 N ATOM 892 CA ASN A 63 21.380 9.012 -37.727 1.00 0.00 C ATOM 893 C ASN A 63 22.165 7.723 -37.954 1.00 0.00 C ATOM 894 O ASN A 63 22.529 7.400 -39.085 1.00 0.00 O ATOM 895 CB ASN A 63 22.097 10.186 -38.394 1.00 0.00 C ATOM 896 CG ASN A 63 21.209 10.913 -39.385 1.00 0.00 C ATOM 897 OD1 ASN A 63 20.270 10.336 -39.934 1.00 0.00 O ATOM 898 ND2 ASN A 63 21.502 12.186 -39.618 1.00 0.00 N ATOM 0 H ASN A 63 20.238 9.194 -35.978 1.00 0.00 H new ATOM 0 HA ASN A 63 20.393 8.895 -38.175 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.433 10.886 -37.629 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.987 9.822 -38.906 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.939 12.727 -40.275 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.290 12.624 -39.140 1.00 0.00 H new ATOM 905 N GLY A 64 22.420 6.989 -36.876 1.00 0.00 N ATOM 906 CA GLY A 64 23.156 5.744 -36.986 1.00 0.00 C ATOM 907 C GLY A 64 24.581 5.864 -36.485 1.00 0.00 C ATOM 908 O GLY A 64 25.252 4.858 -36.259 1.00 0.00 O ATOM 0 H GLY A 64 22.130 7.234 -35.929 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.639 4.969 -36.419 1.00 0.00 H new ATOM 0 HA3 GLY A 64 23.167 5.423 -38.028 1.00 0.00 H new ATOM 912 N ARG A 65 25.045 7.097 -36.309 1.00 0.00 N ATOM 913 CA ARG A 65 26.400 7.339 -35.830 1.00 0.00 C ATOM 914 C ARG A 65 26.392 7.714 -34.353 1.00 0.00 C ATOM 915 O ARG A 65 25.373 7.585 -33.677 1.00 0.00 O ATOM 916 CB ARG A 65 27.073 8.441 -36.651 1.00 0.00 C ATOM 917 CG ARG A 65 26.423 9.805 -36.491 1.00 0.00 C ATOM 918 CD ARG A 65 26.133 10.442 -37.839 1.00 0.00 C ATOM 919 NE ARG A 65 25.461 9.516 -38.739 1.00 0.00 N ATOM 920 CZ ARG A 65 25.170 9.796 -40.005 1.00 0.00 C ATOM 921 NH1 ARG A 65 25.497 10.974 -40.518 1.00 0.00 N ATOM 922 NH2 ARG A 65 24.552 8.898 -40.760 1.00 0.00 N ATOM 0 H ARG A 65 24.503 7.942 -36.491 1.00 0.00 H new ATOM 0 HA ARG A 65 26.970 6.418 -35.950 1.00 0.00 H new ATOM 0 HB2 ARG A 65 28.121 8.511 -36.359 1.00 0.00 H new ATOM 0 HB3 ARG A 65 27.054 8.160 -37.704 1.00 0.00 H new ATOM 0 HG2 ARG A 65 25.495 9.704 -35.928 1.00 0.00 H new ATOM 0 HG3 ARG A 65 27.078 10.456 -35.912 1.00 0.00 H new ATOM 0 HD2 ARG A 65 25.512 11.327 -37.697 1.00 0.00 H new ATOM 0 HD3 ARG A 65 27.066 10.777 -38.292 1.00 0.00 H new ATOM 0 HE ARG A 65 25.198 8.599 -38.377 1.00 0.00 H new ATOM 0 HH11 ARG A 65 25.973 11.667 -39.941 1.00 0.00 H new ATOM 0 HH12 ARG A 65 25.273 11.187 -41.490 1.00 0.00 H new ATOM 0 HH21 ARG A 65 24.299 7.990 -40.369 1.00 0.00 H new ATOM 0 HH22 ARG A 65 24.329 9.115 -41.732 1.00 0.00 H new ATOM 936 N THR A 66 27.535 8.174 -33.854 1.00 0.00 N ATOM 937 CA THR A 66 27.652 8.558 -32.452 1.00 0.00 C ATOM 938 C THR A 66 28.384 9.887 -32.295 1.00 0.00 C ATOM 939 O THR A 66 29.167 10.282 -33.158 1.00 0.00 O ATOM 940 CB THR A 66 28.396 7.479 -31.641 1.00 0.00 C ATOM 941 OG1 THR A 66 28.129 6.183 -32.191 1.00 0.00 O ATOM 942 CG2 THR A 66 27.973 7.514 -30.181 1.00 0.00 C ATOM 0 H THR A 66 28.390 8.290 -34.397 1.00 0.00 H new ATOM 0 HA THR A 66 26.637 8.664 -32.070 1.00 0.00 H new ATOM 0 HB THR A 66 29.465 7.684 -31.698 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.606 5.503 -31.672 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.511 6.744 -29.628 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.204 8.492 -29.759 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.901 7.331 -30.108 1.00 0.00 H new ATOM 950 N PHE A 67 28.126 10.571 -31.184 1.00 0.00 N ATOM 951 CA PHE A 67 28.762 11.854 -30.910 1.00 0.00 C ATOM 952 C PHE A 67 29.051 12.012 -29.422 1.00 0.00 C ATOM 953 O PHE A 67 28.188 11.755 -28.579 1.00 0.00 O ATOM 954 CB PHE A 67 27.878 13.004 -31.393 1.00 0.00 C ATOM 955 CG PHE A 67 27.143 12.703 -32.666 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.152 11.735 -32.696 1.00 0.00 C ATOM 957 CD2 PHE A 67 27.441 13.389 -33.833 1.00 0.00 C ATOM 958 CE1 PHE A 67 25.474 11.455 -33.867 1.00 0.00 C ATOM 959 CE2 PHE A 67 26.765 13.114 -35.006 1.00 0.00 C ATOM 960 CZ PHE A 67 25.780 12.145 -35.023 1.00 0.00 C ATOM 0 H PHE A 67 27.481 10.257 -30.459 1.00 0.00 H new ATOM 0 HA PHE A 67 29.708 11.882 -31.452 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.155 13.247 -30.614 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.497 13.889 -31.541 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.907 11.193 -31.794 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.210 14.147 -33.825 1.00 0.00 H new ATOM 0 HE1 PHE A 67 24.705 10.697 -33.878 1.00 0.00 H new ATOM 0 HE2 PHE A 67 27.006 13.656 -35.909 1.00 0.00 H new ATOM 0 HZ PHE A 67 25.251 11.928 -35.939 1.00 0.00 H new ATOM 970 N TYR A 68 30.269 12.441 -29.109 1.00 0.00 N ATOM 971 CA TYR A 68 30.681 12.642 -27.725 1.00 0.00 C ATOM 972 C TYR A 68 30.745 14.130 -27.396 1.00 0.00 C ATOM 973 O TYR A 68 31.517 14.554 -26.538 1.00 0.00 O ATOM 974 CB TYR A 68 32.044 11.995 -27.479 1.00 0.00 C ATOM 975 CG TYR A 68 31.992 10.488 -27.372 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.661 9.706 -28.471 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.281 9.848 -26.174 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.618 8.328 -28.378 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.240 8.471 -26.073 1.00 0.00 C ATOM 980 CZ TYR A 68 31.907 7.715 -27.177 1.00 0.00 C ATOM 981 OH TYR A 68 31.867 6.343 -27.081 1.00 0.00 O ATOM 0 H TYR A 68 30.990 12.657 -29.798 1.00 0.00 H new ATOM 0 HA TYR A 68 29.943 12.172 -27.075 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.718 12.270 -28.290 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.468 12.401 -26.561 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.434 10.182 -29.413 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.542 10.437 -25.307 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.359 7.734 -29.242 1.00 0.00 H new ATOM 0 HE2 TYR A 68 32.468 7.989 -25.134 1.00 0.00 H new ATOM 0 HH TYR A 68 32.097 6.072 -26.168 1.00 0.00 H new ATOM 991 N SER A 69 29.926 14.917 -28.086 1.00 0.00 N ATOM 992 CA SER A 69 29.883 16.358 -27.870 1.00 0.00 C ATOM 993 C SER A 69 28.808 17.002 -28.737 1.00 0.00 C ATOM 994 O SER A 69 27.897 16.327 -29.217 1.00 0.00 O ATOM 995 CB SER A 69 31.246 16.985 -28.176 1.00 0.00 C ATOM 996 OG SER A 69 31.481 18.121 -27.362 1.00 0.00 O ATOM 0 H SER A 69 29.282 14.580 -28.801 1.00 0.00 H new ATOM 0 HA SER A 69 29.638 16.537 -26.823 1.00 0.00 H new ATOM 0 HB2 SER A 69 32.033 16.249 -28.013 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.290 17.272 -29.227 1.00 0.00 H new ATOM 0 HG SER A 69 32.358 18.501 -27.576 1.00 0.00 H new ATOM 1002 N CYS A 70 28.925 18.309 -28.939 1.00 0.00 N ATOM 1003 CA CYS A 70 27.963 19.041 -29.756 1.00 0.00 C ATOM 1004 C CYS A 70 28.160 18.710 -31.230 1.00 0.00 C ATOM 1005 O CYS A 70 29.262 18.358 -31.651 1.00 0.00 O ATOM 1006 CB CYS A 70 28.101 20.549 -29.532 1.00 0.00 C ATOM 1007 SG CYS A 70 28.803 21.013 -27.913 1.00 0.00 S ATOM 0 H CYS A 70 29.673 18.883 -28.550 1.00 0.00 H new ATOM 0 HA CYS A 70 26.960 18.737 -29.458 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.730 20.964 -30.319 1.00 0.00 H new ATOM 0 HB3 CYS A 70 27.118 21.010 -29.633 1.00 0.00 H new ATOM 1012 N THR A 71 27.092 18.817 -32.011 1.00 0.00 N ATOM 1013 CA THR A 71 27.167 18.520 -33.434 1.00 0.00 C ATOM 1014 C THR A 71 25.999 19.128 -34.197 1.00 0.00 C ATOM 1015 O THR A 71 24.905 19.290 -33.656 1.00 0.00 O ATOM 1016 CB THR A 71 27.186 17.001 -33.690 1.00 0.00 C ATOM 1017 OG1 THR A 71 27.576 16.736 -35.043 1.00 0.00 O ATOM 1018 CG2 THR A 71 25.816 16.394 -33.423 1.00 0.00 C ATOM 0 H THR A 71 26.170 19.105 -31.685 1.00 0.00 H new ATOM 0 HA THR A 71 28.097 18.961 -33.792 1.00 0.00 H new ATOM 0 HB THR A 71 27.908 16.548 -33.011 1.00 0.00 H new ATOM 0 HG1 THR A 71 27.702 15.772 -35.164 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.851 15.321 -33.610 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.535 16.573 -32.385 1.00 0.00 H new ATOM 0 HG23 THR A 71 25.080 16.853 -34.083 1.00 0.00 H new ATOM 1026 N THR A 72 26.242 19.455 -35.459 1.00 0.00 N ATOM 1027 CA THR A 72 25.216 20.036 -36.311 1.00 0.00 C ATOM 1028 C THR A 72 24.883 19.096 -37.465 1.00 0.00 C ATOM 1029 O THR A 72 25.155 19.400 -38.626 1.00 0.00 O ATOM 1030 CB THR A 72 25.663 21.398 -36.879 1.00 0.00 C ATOM 1031 OG1 THR A 72 27.083 21.541 -36.750 1.00 0.00 O ATOM 1032 CG2 THR A 72 24.963 22.543 -36.155 1.00 0.00 C ATOM 0 H THR A 72 27.145 19.327 -35.916 1.00 0.00 H new ATOM 0 HA THR A 72 24.329 20.187 -35.695 1.00 0.00 H new ATOM 0 HB THR A 72 25.390 21.435 -37.934 1.00 0.00 H new ATOM 0 HG1 THR A 72 27.359 22.408 -37.115 1.00 0.00 H new ATOM 0 HG21 THR A 72 25.294 23.494 -36.573 1.00 0.00 H new ATOM 0 HG22 THR A 72 23.884 22.447 -36.280 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.210 22.507 -35.094 1.00 0.00 H new ATOM 1040 N GLU A 73 24.301 17.946 -37.135 1.00 0.00 N ATOM 1041 CA GLU A 73 23.934 16.956 -38.141 1.00 0.00 C ATOM 1042 C GLU A 73 22.484 17.128 -38.577 1.00 0.00 C ATOM 1043 O GLU A 73 22.198 17.310 -39.761 1.00 0.00 O ATOM 1044 CB GLU A 73 24.153 15.541 -37.599 1.00 0.00 C ATOM 1045 CG GLU A 73 25.421 14.881 -38.114 1.00 0.00 C ATOM 1046 CD GLU A 73 25.146 13.844 -39.185 1.00 0.00 C ATOM 1047 OE1 GLU A 73 24.086 13.188 -39.118 1.00 0.00 O ATOM 1048 OE2 GLU A 73 25.992 13.688 -40.092 1.00 0.00 O ATOM 0 H GLU A 73 24.074 17.677 -36.178 1.00 0.00 H new ATOM 0 HA GLU A 73 24.573 17.108 -39.011 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.190 15.580 -36.510 1.00 0.00 H new ATOM 0 HB3 GLU A 73 23.297 14.922 -37.867 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.086 15.645 -38.516 1.00 0.00 H new ATOM 0 HG3 GLU A 73 25.944 14.409 -37.282 1.00 0.00 H new ATOM 1055 N GLY A 74 21.574 17.066 -37.616 1.00 0.00 N ATOM 1056 CA GLY A 74 20.164 17.214 -37.920 1.00 0.00 C ATOM 1057 C GLY A 74 19.495 18.288 -37.085 1.00 0.00 C ATOM 1058 O GLY A 74 18.746 17.985 -36.157 1.00 0.00 O ATOM 0 H GLY A 74 21.786 16.916 -36.630 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.048 17.456 -38.976 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.659 16.263 -37.753 1.00 0.00 H new ATOM 1122 N HIS A 79 23.265 25.093 -35.802 1.00 0.00 N ATOM 1123 CA HIS A 79 23.922 25.363 -34.528 1.00 0.00 C ATOM 1124 C HIS A 79 24.232 24.066 -33.789 1.00 0.00 C ATOM 1125 O HIS A 79 23.386 23.176 -33.696 1.00 0.00 O ATOM 1126 CB HIS A 79 23.039 26.260 -33.650 1.00 0.00 C ATOM 1127 CG HIS A 79 21.775 26.709 -34.317 1.00 0.00 C ATOM 1128 ND1 HIS A 79 20.805 25.834 -34.757 1.00 0.00 N ATOM 1129 CD2 HIS A 79 21.321 27.950 -34.609 1.00 0.00 C ATOM 1130 CE1 HIS A 79 19.808 26.517 -35.293 1.00 0.00 C ATOM 1131 NE2 HIS A 79 20.097 27.803 -35.215 1.00 0.00 N ATOM 0 HA HIS A 79 24.860 25.878 -34.737 1.00 0.00 H new ATOM 0 HB2 HIS A 79 22.785 25.721 -32.737 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.613 27.138 -33.352 1.00 0.00 H new ATOM 0 HD1 HIS A 79 20.850 24.818 -34.681 1.00 0.00 H new ATOM 0 HD2 HIS A 79 21.827 28.882 -34.404 1.00 0.00 H new ATOM 0 HE1 HIS A 79 18.911 26.095 -35.721 1.00 0.00 H new ATOM 1140 N LEU A 80 25.447 23.965 -33.256 1.00 0.00 N ATOM 1141 CA LEU A 80 25.858 22.779 -32.519 1.00 0.00 C ATOM 1142 C LEU A 80 24.767 22.362 -31.539 1.00 0.00 C ATOM 1143 O LEU A 80 24.541 23.028 -30.531 1.00 0.00 O ATOM 1144 CB LEU A 80 27.163 23.048 -31.769 1.00 0.00 C ATOM 1145 CG LEU A 80 28.437 22.854 -32.594 1.00 0.00 C ATOM 1146 CD1 LEU A 80 28.515 23.887 -33.706 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.666 22.936 -31.700 1.00 0.00 C ATOM 0 H LEU A 80 26.161 24.690 -33.322 1.00 0.00 H new ATOM 0 HA LEU A 80 26.021 21.968 -33.228 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.144 24.071 -31.394 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.207 22.391 -30.901 1.00 0.00 H new ATOM 0 HG LEU A 80 28.407 21.864 -33.048 1.00 0.00 H new ATOM 0 HD11 LEU A 80 29.428 23.733 -34.282 1.00 0.00 H new ATOM 0 HD12 LEU A 80 27.650 23.782 -34.361 1.00 0.00 H new ATOM 0 HD13 LEU A 80 28.523 24.887 -33.273 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.564 22.796 -32.302 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.701 23.913 -31.218 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.615 22.158 -30.939 1.00 0.00 H new ATOM 1159 N TRP A 81 24.084 21.267 -31.847 1.00 0.00 N ATOM 1160 CA TRP A 81 23.007 20.779 -30.994 1.00 0.00 C ATOM 1161 C TRP A 81 23.380 19.464 -30.319 1.00 0.00 C ATOM 1162 O TRP A 81 24.163 18.677 -30.852 1.00 0.00 O ATOM 1163 CB TRP A 81 21.726 20.599 -31.811 1.00 0.00 C ATOM 1164 CG TRP A 81 21.836 19.545 -32.871 1.00 0.00 C ATOM 1165 CD1 TRP A 81 22.223 19.722 -34.170 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.552 18.149 -32.725 1.00 0.00 C ATOM 1167 NE1 TRP A 81 22.195 18.524 -34.837 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.788 17.543 -33.973 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.122 17.351 -31.660 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.608 16.178 -34.185 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.944 15.997 -31.871 1.00 0.00 C ATOM 1172 CH2 TRP A 81 21.187 15.422 -33.125 1.00 0.00 C ATOM 0 H TRP A 81 24.255 20.701 -32.678 1.00 0.00 H new ATOM 0 HA TRP A 81 22.839 21.523 -30.215 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.908 20.342 -31.138 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.467 21.548 -32.279 1.00 0.00 H new ATOM 0 HD1 TRP A 81 22.509 20.667 -34.607 1.00 0.00 H new ATOM 0 HE1 TRP A 81 22.438 18.386 -35.818 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.932 17.785 -30.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 21.794 15.733 -35.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.612 15.372 -31.055 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.039 14.360 -33.258 1.00 0.00 H new ATOM 1183 N CYS A 82 22.810 19.236 -29.140 1.00 0.00 N ATOM 1184 CA CYS A 82 23.072 18.019 -28.381 1.00 0.00 C ATOM 1185 C CYS A 82 21.777 17.444 -27.817 1.00 0.00 C ATOM 1186 O CYS A 82 20.834 18.181 -27.528 1.00 0.00 O ATOM 1187 CB CYS A 82 24.055 18.305 -27.245 1.00 0.00 C ATOM 1188 SG CYS A 82 23.303 19.130 -25.804 1.00 0.00 S ATOM 0 H CYS A 82 22.161 19.881 -28.689 1.00 0.00 H new ATOM 0 HA CYS A 82 23.512 17.284 -29.056 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.502 17.366 -26.920 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.864 18.928 -27.626 1.00 0.00 H new ATOM 1193 N SER A 83 21.737 16.125 -27.666 1.00 0.00 N ATOM 1194 CA SER A 83 20.555 15.451 -27.140 1.00 0.00 C ATOM 1195 C SER A 83 20.512 15.524 -25.618 1.00 0.00 C ATOM 1196 O SER A 83 21.496 15.222 -24.947 1.00 0.00 O ATOM 1197 CB SER A 83 20.539 13.987 -27.583 1.00 0.00 C ATOM 1198 OG SER A 83 21.580 13.255 -26.960 1.00 0.00 O ATOM 0 H SER A 83 22.509 15.501 -27.900 1.00 0.00 H new ATOM 0 HA SER A 83 19.677 15.960 -27.537 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.577 13.539 -27.335 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.648 13.930 -28.666 1.00 0.00 H new ATOM 0 HG SER A 83 22.358 13.222 -27.555 1.00 0.00 H new ATOM 1204 N THR A 84 19.365 15.925 -25.078 1.00 0.00 N ATOM 1205 CA THR A 84 19.202 16.030 -23.632 1.00 0.00 C ATOM 1206 C THR A 84 18.844 14.678 -23.018 1.00 0.00 C ATOM 1207 O THR A 84 18.826 14.528 -21.796 1.00 0.00 O ATOM 1208 CB THR A 84 18.118 17.057 -23.253 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.814 16.492 -23.442 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.255 18.323 -24.089 1.00 0.00 C ATOM 0 H THR A 84 18.538 16.182 -25.617 1.00 0.00 H new ATOM 0 HA THR A 84 20.159 16.367 -23.234 1.00 0.00 H new ATOM 0 HB THR A 84 18.249 17.317 -22.203 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.159 16.998 -22.917 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.479 19.033 -23.804 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.235 18.768 -23.917 1.00 0.00 H new ATOM 0 HG23 THR A 84 18.149 18.075 -25.145 1.00 0.00 H new ATOM 1218 N THR A 85 18.565 13.696 -23.871 1.00 0.00 N ATOM 1219 CA THR A 85 18.215 12.357 -23.407 1.00 0.00 C ATOM 1220 C THR A 85 18.579 11.300 -24.450 1.00 0.00 C ATOM 1221 O THR A 85 18.792 11.616 -25.621 1.00 0.00 O ATOM 1222 CB THR A 85 16.709 12.263 -23.042 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.559 11.624 -21.770 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.901 11.499 -24.090 1.00 0.00 C ATOM 0 H THR A 85 18.574 13.802 -24.885 1.00 0.00 H new ATOM 0 HA THR A 85 18.795 12.162 -22.505 1.00 0.00 H new ATOM 0 HB THR A 85 16.322 13.281 -23.005 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.607 11.568 -21.542 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.855 11.462 -23.787 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.982 12.005 -25.052 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.289 10.484 -24.180 1.00 0.00 H new ATOM 1232 N SER A 86 18.650 10.046 -24.015 1.00 0.00 N ATOM 1233 CA SER A 86 18.989 8.945 -24.910 1.00 0.00 C ATOM 1234 C SER A 86 18.076 8.932 -26.133 1.00 0.00 C ATOM 1235 O SER A 86 18.525 9.159 -27.256 1.00 0.00 O ATOM 1236 CB SER A 86 18.888 7.610 -24.170 1.00 0.00 C ATOM 1237 OG SER A 86 19.011 7.792 -22.771 1.00 0.00 O ATOM 0 H SER A 86 18.478 9.767 -23.049 1.00 0.00 H new ATOM 0 HA SER A 86 20.015 9.090 -25.249 1.00 0.00 H new ATOM 0 HB2 SER A 86 17.932 7.137 -24.396 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.668 6.936 -24.522 1.00 0.00 H new ATOM 0 HG SER A 86 18.941 6.924 -22.321 1.00 0.00 H new ATOM 1243 N ASN A 87 16.794 8.662 -25.908 1.00 0.00 N ATOM 1244 CA ASN A 87 15.822 8.617 -26.995 1.00 0.00 C ATOM 1245 C ASN A 87 15.586 10.007 -27.577 1.00 0.00 C ATOM 1246 O ASN A 87 14.581 10.651 -27.279 1.00 0.00 O ATOM 1247 CB ASN A 87 14.498 8.034 -26.498 1.00 0.00 C ATOM 1248 CG ASN A 87 14.098 6.780 -27.251 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.796 6.341 -28.164 1.00 0.00 O ATOM 1250 ND2 ASN A 87 12.967 6.199 -26.871 1.00 0.00 N ATOM 0 H ASN A 87 16.405 8.471 -24.985 1.00 0.00 H new ATOM 0 HA ASN A 87 16.226 7.977 -27.780 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.581 7.805 -25.436 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.713 8.783 -26.602 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.645 5.353 -27.342 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.420 6.598 -26.108 1.00 0.00 H new ATOM 1257 N TYR A 88 16.513 10.461 -28.414 1.00 0.00 N ATOM 1258 CA TYR A 88 16.396 11.770 -29.040 1.00 0.00 C ATOM 1259 C TYR A 88 15.450 11.707 -30.230 1.00 0.00 C ATOM 1260 O TYR A 88 14.698 12.645 -30.491 1.00 0.00 O ATOM 1261 CB TYR A 88 17.767 12.270 -29.494 1.00 0.00 C ATOM 1262 CG TYR A 88 17.696 13.430 -30.458 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.383 14.707 -30.015 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.944 13.247 -31.812 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.319 15.772 -30.893 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.881 14.305 -32.698 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.569 15.566 -32.233 1.00 0.00 C ATOM 1268 OH TYR A 88 17.506 16.623 -33.112 1.00 0.00 O ATOM 0 H TYR A 88 17.352 9.942 -28.673 1.00 0.00 H new ATOM 0 HA TYR A 88 15.993 12.466 -28.304 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.344 12.570 -28.619 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.307 11.449 -29.965 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.186 14.871 -28.966 1.00 0.00 H new ATOM 0 HD2 TYR A 88 18.190 12.261 -32.178 1.00 0.00 H new ATOM 0 HE1 TYR A 88 17.075 16.760 -30.532 1.00 0.00 H new ATOM 0 HE2 TYR A 88 18.075 14.146 -33.749 1.00 0.00 H new ATOM 0 HH TYR A 88 17.709 16.308 -34.017 1.00 0.00 H new ATOM 1278 N GLU A 89 15.492 10.590 -30.947 1.00 0.00 N ATOM 1279 CA GLU A 89 14.638 10.396 -32.108 1.00 0.00 C ATOM 1280 C GLU A 89 13.190 10.160 -31.687 1.00 0.00 C ATOM 1281 O GLU A 89 12.302 10.031 -32.529 1.00 0.00 O ATOM 1282 CB GLU A 89 15.137 9.217 -32.945 1.00 0.00 C ATOM 1283 CG GLU A 89 16.447 9.494 -33.666 1.00 0.00 C ATOM 1284 CD GLU A 89 17.402 8.317 -33.615 1.00 0.00 C ATOM 1285 OE1 GLU A 89 17.748 7.882 -32.497 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.804 7.832 -34.694 1.00 0.00 O ATOM 0 H GLU A 89 16.110 9.805 -30.743 1.00 0.00 H new ATOM 0 HA GLU A 89 14.678 11.303 -32.711 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.265 8.350 -32.297 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.376 8.956 -33.680 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.239 9.743 -34.707 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.926 10.365 -33.219 1.00 0.00 H new ATOM 1293 N GLN A 90 12.959 10.104 -30.378 1.00 0.00 N ATOM 1294 CA GLN A 90 11.618 9.884 -29.849 1.00 0.00 C ATOM 1295 C GLN A 90 11.054 11.164 -29.241 1.00 0.00 C ATOM 1296 O GLN A 90 9.906 11.530 -29.491 1.00 0.00 O ATOM 1297 CB GLN A 90 11.638 8.767 -28.800 1.00 0.00 C ATOM 1298 CG GLN A 90 10.467 8.814 -27.833 1.00 0.00 C ATOM 1299 CD GLN A 90 9.156 8.417 -28.483 1.00 0.00 C ATOM 1300 OE1 GLN A 90 8.994 8.526 -29.698 1.00 0.00 O ATOM 1301 NE2 GLN A 90 8.211 7.952 -27.674 1.00 0.00 N ATOM 0 H GLN A 90 13.682 10.208 -29.666 1.00 0.00 H new ATOM 0 HA GLN A 90 10.973 9.585 -30.675 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.639 7.803 -29.309 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.567 8.829 -28.234 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.668 8.149 -26.993 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.376 9.822 -27.427 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.388 7.878 -26.672 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.308 7.668 -28.054 1.00 0.00 H new ATOM 1310 N ASP A 91 11.870 11.838 -28.441 1.00 0.00 N ATOM 1311 CA ASP A 91 11.456 13.078 -27.794 1.00 0.00 C ATOM 1312 C ASP A 91 11.793 14.284 -28.664 1.00 0.00 C ATOM 1313 O ASP A 91 11.140 15.325 -28.580 1.00 0.00 O ATOM 1314 CB ASP A 91 12.131 13.216 -26.428 1.00 0.00 C ATOM 1315 CG ASP A 91 11.523 14.325 -25.593 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.186 15.384 -26.165 1.00 0.00 O ATOM 1317 OD2 ASP A 91 11.382 14.136 -24.366 1.00 0.00 O ATOM 0 H ASP A 91 12.823 11.547 -28.224 1.00 0.00 H new ATOM 0 HA ASP A 91 10.375 13.043 -27.655 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.050 12.272 -25.889 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.194 13.412 -26.569 1.00 0.00 H new ATOM 1322 N GLN A 92 12.817 14.138 -29.498 1.00 0.00 N ATOM 1323 CA GLN A 92 13.243 15.215 -30.383 1.00 0.00 C ATOM 1324 C GLN A 92 13.556 16.478 -29.588 1.00 0.00 C ATOM 1325 O GLN A 92 13.125 17.574 -29.948 1.00 0.00 O ATOM 1326 CB GLN A 92 12.161 15.506 -31.424 1.00 0.00 C ATOM 1327 CG GLN A 92 12.319 14.703 -32.705 1.00 0.00 C ATOM 1328 CD GLN A 92 13.701 14.841 -33.313 1.00 0.00 C ATOM 1329 OE1 GLN A 92 14.185 13.937 -33.994 1.00 0.00 O ATOM 1330 NE2 GLN A 92 14.343 15.976 -33.068 1.00 0.00 N ATOM 0 H GLN A 92 13.368 13.283 -29.579 1.00 0.00 H new ATOM 0 HA GLN A 92 14.151 14.895 -30.895 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.184 15.294 -30.990 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.178 16.569 -31.666 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.121 13.652 -32.497 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.573 15.031 -33.429 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.903 16.698 -32.498 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.277 16.126 -33.450 1.00 0.00 H new ATOM 1339 N LYS A 93 14.317 16.316 -28.513 1.00 0.00 N ATOM 1340 CA LYS A 93 14.701 17.443 -27.671 1.00 0.00 C ATOM 1341 C LYS A 93 16.218 17.518 -27.543 1.00 0.00 C ATOM 1342 O LYS A 93 16.864 16.601 -27.030 1.00 0.00 O ATOM 1343 CB LYS A 93 14.042 17.342 -26.289 1.00 0.00 C ATOM 1344 CG LYS A 93 14.874 16.605 -25.252 1.00 0.00 C ATOM 1345 CD LYS A 93 14.932 15.116 -25.545 1.00 0.00 C ATOM 1346 CE LYS A 93 16.356 14.594 -25.501 1.00 0.00 C ATOM 1347 NZ LYS A 93 16.797 14.064 -26.820 1.00 0.00 N ATOM 0 H LYS A 93 14.681 15.415 -28.203 1.00 0.00 H new ATOM 0 HA LYS A 93 14.350 18.360 -28.144 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.835 18.348 -25.924 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.082 16.837 -26.393 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.884 17.014 -25.236 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.449 16.766 -24.261 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.324 14.577 -24.818 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.502 14.921 -26.528 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.026 15.395 -25.190 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.430 13.807 -24.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.268 13.146 -26.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.970 13.942 -27.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.462 14.733 -27.258 1.00 0.00 H new ATOM 1361 N TYR A 94 16.781 18.614 -28.035 1.00 0.00 N ATOM 1362 CA TYR A 94 18.223 18.818 -28.002 1.00 0.00 C ATOM 1363 C TYR A 94 18.569 20.214 -27.497 1.00 0.00 C ATOM 1364 O TYR A 94 17.687 21.048 -27.290 1.00 0.00 O ATOM 1365 CB TYR A 94 18.809 18.611 -29.400 1.00 0.00 C ATOM 1366 CG TYR A 94 18.377 19.662 -30.400 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.819 20.976 -30.293 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.525 19.341 -31.449 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.424 21.938 -31.204 1.00 0.00 C ATOM 1370 CE2 TYR A 94 17.127 20.297 -32.364 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.579 21.593 -32.237 1.00 0.00 C ATOM 1372 OH TYR A 94 17.184 22.548 -33.146 1.00 0.00 O ATOM 0 H TYR A 94 16.258 19.378 -28.463 1.00 0.00 H new ATOM 0 HA TYR A 94 18.655 18.090 -27.315 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.897 18.611 -29.332 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.513 17.628 -29.767 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.482 21.250 -29.485 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.168 18.327 -31.551 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.776 22.955 -31.107 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.465 20.030 -33.175 1.00 0.00 H new ATOM 0 HH TYR A 94 16.590 22.141 -33.811 1.00 0.00 H new ATOM 1382 N SER A 95 19.860 20.462 -27.310 1.00 0.00 N ATOM 1383 CA SER A 95 20.332 21.757 -26.837 1.00 0.00 C ATOM 1384 C SER A 95 21.500 22.240 -27.689 1.00 0.00 C ATOM 1385 O SER A 95 22.367 21.454 -28.073 1.00 0.00 O ATOM 1386 CB SER A 95 20.752 21.670 -25.370 1.00 0.00 C ATOM 1387 OG SER A 95 20.668 20.337 -24.894 1.00 0.00 O ATOM 0 H SER A 95 20.600 19.781 -27.479 1.00 0.00 H new ATOM 0 HA SER A 95 19.515 22.473 -26.924 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.773 22.036 -25.258 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.114 22.316 -24.767 1.00 0.00 H new ATOM 0 HG SER A 95 21.351 19.789 -25.333 1.00 0.00 H new ATOM 1393 N PHE A 96 21.515 23.533 -27.990 1.00 0.00 N ATOM 1394 CA PHE A 96 22.577 24.109 -28.806 1.00 0.00 C ATOM 1395 C PHE A 96 23.907 24.111 -28.062 1.00 0.00 C ATOM 1396 O PHE A 96 23.993 23.675 -26.914 1.00 0.00 O ATOM 1397 CB PHE A 96 22.217 25.535 -29.227 1.00 0.00 C ATOM 1398 CG PHE A 96 21.230 25.602 -30.358 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.224 24.637 -31.354 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.307 26.632 -30.424 1.00 0.00 C ATOM 1401 CE1 PHE A 96 20.316 24.699 -32.391 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.395 26.700 -31.459 1.00 0.00 C ATOM 1403 CZ PHE A 96 19.400 25.731 -32.445 1.00 0.00 C ATOM 0 H PHE A 96 20.807 24.200 -27.683 1.00 0.00 H new ATOM 0 HA PHE A 96 22.682 23.489 -29.696 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.807 26.065 -28.367 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.127 26.058 -29.520 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.938 23.828 -31.318 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.300 27.392 -29.656 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.322 23.941 -33.160 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.680 27.508 -31.498 1.00 0.00 H new ATOM 0 HZ PHE A 96 18.689 25.781 -33.256 1.00 0.00 H new ATOM 1413 N CYS A 97 24.946 24.604 -28.731 1.00 0.00 N ATOM 1414 CA CYS A 97 26.278 24.664 -28.145 1.00 0.00 C ATOM 1415 C CYS A 97 27.018 25.915 -28.604 1.00 0.00 C ATOM 1416 O CYS A 97 26.809 26.399 -29.716 1.00 0.00 O ATOM 1417 CB CYS A 97 27.078 23.420 -28.533 1.00 0.00 C ATOM 1418 SG CYS A 97 27.436 22.300 -27.143 1.00 0.00 S ATOM 0 H CYS A 97 24.889 24.968 -29.682 1.00 0.00 H new ATOM 0 HA CYS A 97 26.171 24.703 -27.061 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.526 22.870 -29.295 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.019 23.733 -28.984 1.00 0.00 H new ATOM 1423 N THR A 98 27.881 26.435 -27.740 1.00 0.00 N ATOM 1424 CA THR A 98 28.650 27.630 -28.056 1.00 0.00 C ATOM 1425 C THR A 98 29.713 27.339 -29.112 1.00 0.00 C ATOM 1426 O THR A 98 29.439 27.386 -30.310 1.00 0.00 O ATOM 1427 CB THR A 98 29.328 28.206 -26.799 1.00 0.00 C ATOM 1428 OG1 THR A 98 29.678 27.144 -25.901 1.00 0.00 O ATOM 1429 CG2 THR A 98 28.411 29.191 -26.094 1.00 0.00 C ATOM 0 H THR A 98 28.065 26.047 -26.815 1.00 0.00 H new ATOM 0 HA THR A 98 27.948 28.365 -28.450 1.00 0.00 H new ATOM 0 HB THR A 98 30.231 28.732 -27.108 1.00 0.00 H new ATOM 0 HG1 THR A 98 30.110 27.518 -25.105 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.911 29.585 -25.209 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.170 30.012 -26.770 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.493 28.684 -25.796 1.00 0.00 H new