USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 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 23 THR OG1 : rot -77:sc= 1.49 USER MOD Set 1.2: A 39 SER OG : rot -157:sc= 1.22 USER MOD Set 2.1: A 21 SER OG : rot -161:sc= -0.979! USER MOD Set 2.2: A 50 GLN : amide:sc= -0.949! C(o=-2.6!,f=-5!) USER MOD Set 2.3: A 60 ASN : amide:sc= -0.659 X(o=-2.6,f=-2.9!) USER MOD Set 3.1: A 8 ASN : amide:sc= -2.06! K(o=-6.4!,f=-1.6) USER MOD Set 3.2: A 9 GLN : amide:sc= -4.35! K(o=-6.4!,f=-1.6) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 26:sc= 0.453 USER MOD Single : A 14 SER OG : rot 42:sc= 0.00199 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 76:sc= 1.17 USER MOD Single : A 42 TYR OH : rot 45:sc= 0.901 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 30:sc= -2.65! USER MOD Single : A 52 THR OG1 : rot 96:sc= 1.4 USER MOD Single : A 54 ASN : amide:sc= -1.3 K(o=-1.3,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.42 K(o=-1.4,f=-1.9) USER MOD Single : A 62 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.27) USER MOD Single : A 65 CYS SG : rot 70:sc= 0.28 USER MOD Single : A 67 ASN : amide:sc= -5.35! K(o=-5.3!,f=-0.42) USER MOD Single : A 69 ASN : amide:sc= -3.67! C(o=-3.7!,f=-6.9!) USER MOD Single : A 74 ASN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 75 SER OG : rot 146:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 24 N ARG A 3 36.685 -5.404 -3.489 1.00 0.00 N ATOM 25 CA ARG A 3 36.245 -4.420 -2.511 1.00 0.00 C ATOM 26 C ARG A 3 37.421 -3.516 -2.151 1.00 0.00 C ATOM 27 O ARG A 3 37.246 -2.354 -1.786 1.00 0.00 O ATOM 28 CB ARG A 3 35.697 -5.103 -1.254 1.00 0.00 C ATOM 29 CG ARG A 3 35.087 -4.134 -0.251 1.00 0.00 C ATOM 30 CD ARG A 3 33.890 -3.409 -0.843 1.00 0.00 C ATOM 31 NE ARG A 3 33.287 -2.474 0.107 1.00 0.00 N ATOM 32 CZ ARG A 3 32.444 -1.502 -0.243 1.00 0.00 C ATOM 33 NH1 ARG A 3 32.122 -1.329 -1.521 1.00 0.00 N ATOM 34 NH2 ARG A 3 31.923 -0.703 0.685 1.00 0.00 N ATOM 0 HA ARG A 3 35.441 -3.824 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 3 34.942 -5.833 -1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 3 36.503 -5.655 -0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 3 34.780 -4.677 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 3 35.838 -3.408 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 3 34.201 -2.867 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 3 33.143 -4.139 -1.156 1.00 0.00 H new ATOM 0 HE ARG A 3 33.525 -2.571 1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 3 32.520 -1.940 -2.234 1.00 0.00 H new ATOM 0 HH12 ARG A 3 31.477 -0.585 -1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 3 32.168 -0.833 1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 3 31.278 0.040 0.415 1.00 0.00 H new ATOM 48 N THR A 4 38.620 -4.077 -2.266 1.00 0.00 N ATOM 49 CA THR A 4 39.852 -3.358 -2.010 1.00 0.00 C ATOM 50 C THR A 4 40.851 -3.597 -3.155 1.00 0.00 C ATOM 51 O THR A 4 40.449 -3.878 -4.294 1.00 0.00 O ATOM 52 CB THR A 4 40.454 -3.803 -0.658 1.00 0.00 C ATOM 53 OG1 THR A 4 40.526 -5.234 -0.603 1.00 0.00 O ATOM 54 CG2 THR A 4 39.614 -3.291 0.503 1.00 0.00 C ATOM 0 H THR A 4 38.760 -5.049 -2.541 1.00 0.00 H new ATOM 0 HA THR A 4 39.637 -2.291 -1.958 1.00 0.00 H new ATOM 0 HB THR A 4 41.456 -3.383 -0.575 1.00 0.00 H new ATOM 0 HG1 THR A 4 40.910 -5.509 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 4 40.057 -3.617 1.444 1.00 0.00 H new ATOM 0 HG22 THR A 4 39.581 -2.202 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 4 38.602 -3.687 0.422 1.00 0.00 H new ATOM 62 N CYS A 5 42.138 -3.484 -2.862 1.00 0.00 N ATOM 63 CA CYS A 5 43.179 -3.676 -3.859 1.00 0.00 C ATOM 64 C CYS A 5 43.670 -5.126 -3.849 1.00 0.00 C ATOM 65 O CYS A 5 43.372 -5.871 -2.916 1.00 0.00 O ATOM 66 CB CYS A 5 44.325 -2.706 -3.584 1.00 0.00 C ATOM 67 SG CYS A 5 43.854 -0.972 -3.815 1.00 0.00 S ATOM 0 H CYS A 5 42.488 -3.258 -1.931 1.00 0.00 H new ATOM 0 HA CYS A 5 42.775 -3.472 -4.850 1.00 0.00 H new ATOM 0 HB2 CYS A 5 44.677 -2.848 -2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 5 45.160 -2.941 -4.244 1.00 0.00 H new ATOM 72 N PRO A 6 44.392 -5.557 -4.904 1.00 0.00 N ATOM 73 CA PRO A 6 44.958 -6.916 -4.983 1.00 0.00 C ATOM 74 C PRO A 6 45.859 -7.246 -3.791 1.00 0.00 C ATOM 75 O PRO A 6 46.355 -6.346 -3.124 1.00 0.00 O ATOM 76 CB PRO A 6 45.781 -6.882 -6.275 1.00 0.00 C ATOM 77 CG PRO A 6 45.169 -5.797 -7.090 1.00 0.00 C ATOM 78 CD PRO A 6 44.703 -4.764 -6.109 1.00 0.00 C ATOM 0 HA PRO A 6 44.180 -7.680 -4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 6 46.832 -6.677 -6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 6 45.739 -7.839 -6.796 1.00 0.00 H new ATOM 0 HG2 PRO A 6 45.893 -5.376 -7.787 1.00 0.00 H new ATOM 0 HG3 PRO A 6 44.337 -6.176 -7.684 1.00 0.00 H new ATOM 0 HD2 PRO A 6 45.474 -4.019 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 6 43.827 -4.228 -6.475 1.00 0.00 H new ATOM 86 N PRO A 7 46.097 -8.546 -3.524 1.00 0.00 N ATOM 87 CA PRO A 7 46.917 -8.997 -2.382 1.00 0.00 C ATOM 88 C PRO A 7 48.353 -8.470 -2.426 1.00 0.00 C ATOM 89 O PRO A 7 49.001 -8.319 -1.394 1.00 0.00 O ATOM 90 CB PRO A 7 46.909 -10.525 -2.512 1.00 0.00 C ATOM 91 CG PRO A 7 45.717 -10.835 -3.352 1.00 0.00 C ATOM 92 CD PRO A 7 45.579 -9.682 -4.301 1.00 0.00 C ATOM 0 HA PRO A 7 46.515 -8.628 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 7 47.825 -10.886 -2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 7 46.839 -11.004 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 7 45.851 -11.772 -3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 7 44.823 -10.946 -2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 7 46.153 -9.841 -5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 7 44.542 -9.527 -4.599 1.00 0.00 H new ATOM 100 N ASN A 8 48.849 -8.191 -3.624 1.00 0.00 N ATOM 101 CA ASN A 8 50.193 -7.643 -3.778 1.00 0.00 C ATOM 102 C ASN A 8 50.132 -6.124 -3.889 1.00 0.00 C ATOM 103 O ASN A 8 51.100 -5.466 -4.273 1.00 0.00 O ATOM 104 CB ASN A 8 50.896 -8.272 -4.986 1.00 0.00 C ATOM 105 CG ASN A 8 50.283 -7.870 -6.310 1.00 0.00 C ATOM 106 OD1 ASN A 8 49.276 -8.430 -6.740 1.00 0.00 O ATOM 107 ND2 ASN A 8 50.897 -6.905 -6.975 1.00 0.00 N ATOM 0 H ASN A 8 48.346 -8.333 -4.500 1.00 0.00 H new ATOM 0 HA ASN A 8 50.781 -7.890 -2.894 1.00 0.00 H new ATOM 0 HB2 ASN A 8 51.947 -7.983 -4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 8 50.863 -9.357 -4.893 1.00 0.00 H new ATOM 0 HD21 ASN A 8 50.537 -6.600 -7.879 1.00 0.00 H new ATOM 0 HD22 ASN A 8 51.730 -6.466 -6.583 1.00 0.00 H new ATOM 114 N GLN A 9 48.987 -5.582 -3.513 1.00 0.00 N ATOM 115 CA GLN A 9 48.751 -4.154 -3.501 1.00 0.00 C ATOM 116 C GLN A 9 48.186 -3.777 -2.140 1.00 0.00 C ATOM 117 O GLN A 9 47.942 -4.640 -1.301 1.00 0.00 O ATOM 118 CB GLN A 9 47.757 -3.765 -4.602 1.00 0.00 C ATOM 119 CG GLN A 9 48.275 -2.726 -5.585 1.00 0.00 C ATOM 120 CD GLN A 9 49.511 -3.185 -6.326 1.00 0.00 C ATOM 121 OE1 GLN A 9 50.353 -2.383 -6.717 1.00 0.00 O ATOM 122 NE2 GLN A 9 49.621 -4.480 -6.531 1.00 0.00 N ATOM 0 H GLN A 9 48.185 -6.132 -3.204 1.00 0.00 H new ATOM 0 HA GLN A 9 49.686 -3.625 -3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 9 47.478 -4.662 -5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 9 46.849 -3.383 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 9 47.491 -2.492 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 9 48.500 -1.805 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 9 48.898 -5.114 -6.189 1.00 0.00 H new ATOM 0 HE22 GLN A 9 50.429 -4.850 -7.031 1.00 0.00 H new ATOM 131 N PHE A 10 47.972 -2.506 -1.923 1.00 0.00 N ATOM 132 CA PHE A 10 47.396 -2.043 -0.686 1.00 0.00 C ATOM 133 C PHE A 10 46.368 -0.965 -0.979 1.00 0.00 C ATOM 134 O PHE A 10 46.579 -0.106 -1.832 1.00 0.00 O ATOM 135 CB PHE A 10 48.490 -1.531 0.252 1.00 0.00 C ATOM 136 CG PHE A 10 47.957 -0.958 1.538 1.00 0.00 C ATOM 137 CD1 PHE A 10 47.331 -1.769 2.473 1.00 0.00 C ATOM 138 CD2 PHE A 10 48.068 0.397 1.800 1.00 0.00 C ATOM 139 CE1 PHE A 10 46.824 -1.232 3.645 1.00 0.00 C ATOM 140 CE2 PHE A 10 47.569 0.934 2.968 1.00 0.00 C ATOM 141 CZ PHE A 10 46.945 0.122 3.890 1.00 0.00 C ATOM 0 H PHE A 10 48.190 -1.767 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 10 46.895 -2.871 -0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 10 49.172 -2.349 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 10 49.072 -0.767 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 10 47.238 -2.829 2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 10 48.551 1.041 1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 10 46.335 -1.871 4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 10 47.667 1.992 3.160 1.00 0.00 H new ATOM 0 HZ PHE A 10 46.551 0.544 4.803 1.00 0.00 H new ATOM 151 N SER A 11 45.261 -1.008 -0.274 1.00 0.00 N ATOM 152 CA SER A 11 44.167 -0.120 -0.546 1.00 0.00 C ATOM 153 C SER A 11 44.072 0.928 0.536 1.00 0.00 C ATOM 154 O SER A 11 43.696 0.635 1.671 1.00 0.00 O ATOM 155 CB SER A 11 42.855 -0.897 -0.641 1.00 0.00 C ATOM 156 OG SER A 11 41.802 -0.084 -1.133 1.00 0.00 O ATOM 0 H SER A 11 45.099 -1.656 0.497 1.00 0.00 H new ATOM 0 HA SER A 11 44.348 0.371 -1.502 1.00 0.00 H new ATOM 0 HB2 SER A 11 42.988 -1.758 -1.296 1.00 0.00 H new ATOM 0 HB3 SER A 11 42.588 -1.283 0.343 1.00 0.00 H new ATOM 0 HG SER A 11 42.175 0.640 -1.678 1.00 0.00 H new ATOM 162 N CYS A 12 44.458 2.138 0.187 1.00 0.00 N ATOM 163 CA CYS A 12 44.298 3.259 1.085 1.00 0.00 C ATOM 164 C CYS A 12 42.816 3.456 1.359 1.00 0.00 C ATOM 165 O CYS A 12 42.005 3.357 0.434 1.00 0.00 O ATOM 166 CB CYS A 12 44.924 4.516 0.490 1.00 0.00 C ATOM 167 SG CYS A 12 44.728 6.018 1.499 1.00 0.00 S ATOM 0 H CYS A 12 44.884 2.368 -0.711 1.00 0.00 H new ATOM 0 HA CYS A 12 44.811 3.057 2.025 1.00 0.00 H new ATOM 0 HB2 CYS A 12 45.988 4.336 0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 12 44.484 4.694 -0.491 1.00 0.00 H new ATOM 172 N ALA A 13 42.502 3.768 2.616 1.00 0.00 N ATOM 173 CA ALA A 13 41.141 3.712 3.170 1.00 0.00 C ATOM 174 C ALA A 13 40.030 3.894 2.141 1.00 0.00 C ATOM 175 O ALA A 13 39.677 5.017 1.774 1.00 0.00 O ATOM 176 CB ALA A 13 40.991 4.745 4.273 1.00 0.00 C ATOM 0 H ALA A 13 43.198 4.074 3.296 1.00 0.00 H new ATOM 0 HA ALA A 13 41.022 2.702 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 13 39.981 4.699 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 13 41.711 4.539 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 13 41.174 5.740 3.867 1.00 0.00 H new ATOM 182 N SER A 14 39.508 2.746 1.692 1.00 0.00 N ATOM 183 CA SER A 14 38.373 2.652 0.772 1.00 0.00 C ATOM 184 C SER A 14 38.420 3.691 -0.343 1.00 0.00 C ATOM 185 O SER A 14 37.809 4.757 -0.249 1.00 0.00 O ATOM 186 CB SER A 14 37.045 2.724 1.540 1.00 0.00 C ATOM 187 OG SER A 14 37.025 3.816 2.443 1.00 0.00 O ATOM 0 H SER A 14 39.874 1.835 1.967 1.00 0.00 H new ATOM 0 HA SER A 14 38.445 1.680 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 14 36.220 2.819 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 14 36.890 1.795 2.088 1.00 0.00 H new ATOM 0 HG SER A 14 37.413 4.605 2.011 1.00 0.00 H new ATOM 193 N GLY A 15 39.186 3.396 -1.381 1.00 0.00 N ATOM 194 CA GLY A 15 39.161 4.240 -2.556 1.00 0.00 C ATOM 195 C GLY A 15 40.469 4.250 -3.305 1.00 0.00 C ATOM 196 O GLY A 15 40.496 4.173 -4.531 1.00 0.00 O ATOM 0 H GLY A 15 39.818 2.597 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.369 3.900 -3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.911 5.259 -2.259 1.00 0.00 H new ATOM 200 N ARG A 16 41.561 4.353 -2.573 1.00 0.00 N ATOM 201 CA ARG A 16 42.868 4.473 -3.192 1.00 0.00 C ATOM 202 C ARG A 16 43.487 3.093 -3.378 1.00 0.00 C ATOM 203 O ARG A 16 43.056 2.124 -2.749 1.00 0.00 O ATOM 204 CB ARG A 16 43.791 5.378 -2.368 1.00 0.00 C ATOM 205 CG ARG A 16 43.240 6.780 -2.100 1.00 0.00 C ATOM 206 CD ARG A 16 42.163 6.780 -1.019 1.00 0.00 C ATOM 207 NE ARG A 16 41.586 8.108 -0.808 1.00 0.00 N ATOM 208 CZ ARG A 16 40.404 8.326 -0.228 1.00 0.00 C ATOM 209 NH1 ARG A 16 39.679 7.314 0.231 1.00 0.00 N ATOM 210 NH2 ARG A 16 39.949 9.567 -0.095 1.00 0.00 N ATOM 0 H ARG A 16 41.570 4.356 -1.553 1.00 0.00 H new ATOM 0 HA ARG A 16 42.743 4.936 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 16 43.994 4.894 -1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 16 44.745 5.471 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 16 44.055 7.437 -1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 16 42.827 7.188 -3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 16 41.372 6.083 -1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 16 42.591 6.420 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 16 42.120 8.917 -1.124 1.00 0.00 H new ATOM 0 HH11 ARG A 16 40.024 6.358 0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 16 38.777 7.492 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 16 40.503 10.353 -0.436 1.00 0.00 H new ATOM 0 HH22 ARG A 16 39.046 9.734 0.348 1.00 0.00 H new ATOM 224 N CYS A 17 44.510 3.012 -4.213 1.00 0.00 N ATOM 225 CA CYS A 17 45.099 1.737 -4.583 1.00 0.00 C ATOM 226 C CYS A 17 46.587 1.912 -4.844 1.00 0.00 C ATOM 227 O CYS A 17 46.994 2.383 -5.905 1.00 0.00 O ATOM 228 CB CYS A 17 44.411 1.179 -5.825 1.00 0.00 C ATOM 229 SG CYS A 17 44.205 -0.623 -5.783 1.00 0.00 S ATOM 0 H CYS A 17 44.952 3.821 -4.650 1.00 0.00 H new ATOM 0 HA CYS A 17 44.962 1.033 -3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.432 1.647 -5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 17 44.992 1.451 -6.707 1.00 0.00 H new ATOM 234 N ILE A 18 47.384 1.579 -3.850 1.00 0.00 N ATOM 235 CA ILE A 18 48.821 1.705 -3.937 1.00 0.00 C ATOM 236 C ILE A 18 49.423 0.303 -3.865 1.00 0.00 C ATOM 237 O ILE A 18 48.711 -0.635 -3.541 1.00 0.00 O ATOM 238 CB ILE A 18 49.344 2.568 -2.764 1.00 0.00 C ATOM 239 CG1 ILE A 18 49.410 1.734 -1.495 1.00 0.00 C ATOM 240 CG2 ILE A 18 48.412 3.748 -2.528 1.00 0.00 C ATOM 241 CD1 ILE A 18 50.090 2.441 -0.364 1.00 0.00 C ATOM 0 H ILE A 18 47.051 1.213 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 18 49.104 2.188 -4.872 1.00 0.00 H new ATOM 0 HB ILE A 18 50.340 2.932 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 18 48.399 1.464 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 18 49.939 0.804 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 18 48.789 4.349 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 18 48.364 4.360 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 18 47.415 3.381 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 18 50.105 1.794 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 18 51.112 2.687 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 18 49.548 3.357 -0.129 1.00 0.00 H new ATOM 253 N PRO A 19 50.707 0.112 -4.184 1.00 0.00 N ATOM 254 CA PRO A 19 51.358 -1.182 -3.979 1.00 0.00 C ATOM 255 C PRO A 19 51.492 -1.488 -2.489 1.00 0.00 C ATOM 256 O PRO A 19 51.577 -0.575 -1.669 1.00 0.00 O ATOM 257 CB PRO A 19 52.735 -1.015 -4.636 1.00 0.00 C ATOM 258 CG PRO A 19 52.638 0.233 -5.456 1.00 0.00 C ATOM 259 CD PRO A 19 51.611 1.097 -4.782 1.00 0.00 C ATOM 0 HA PRO A 19 50.793 -2.011 -4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 19 53.521 -0.931 -3.885 1.00 0.00 H new ATOM 0 HB3 PRO A 19 52.980 -1.876 -5.259 1.00 0.00 H new ATOM 0 HG2 PRO A 19 53.601 0.741 -5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 19 52.343 0.004 -6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 19 52.058 1.746 -4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 19 51.095 1.742 -5.493 1.00 0.00 H new ATOM 267 N ILE A 20 51.479 -2.761 -2.133 1.00 0.00 N ATOM 268 CA ILE A 20 51.570 -3.152 -0.740 1.00 0.00 C ATOM 269 C ILE A 20 52.984 -2.937 -0.230 1.00 0.00 C ATOM 270 O ILE A 20 53.911 -2.756 -1.018 1.00 0.00 O ATOM 271 CB ILE A 20 51.139 -4.624 -0.535 1.00 0.00 C ATOM 272 CG1 ILE A 20 50.741 -4.872 0.923 1.00 0.00 C ATOM 273 CG2 ILE A 20 52.247 -5.582 -0.960 1.00 0.00 C ATOM 274 CD1 ILE A 20 50.089 -6.219 1.164 1.00 0.00 C ATOM 0 H ILE A 20 51.406 -3.539 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 20 50.885 -2.525 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 20 50.270 -4.812 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 20 51.629 -4.793 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 20 50.056 -4.086 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 20 51.918 -6.610 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 20 52.476 -5.429 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 20 53.140 -5.393 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 20 49.837 -6.318 2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 20 49.181 -6.296 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 20 50.779 -7.013 0.880 1.00 0.00 H new ATOM 286 N SER A 21 53.122 -2.932 1.092 1.00 0.00 N ATOM 287 CA SER A 21 54.388 -2.654 1.761 1.00 0.00 C ATOM 288 C SER A 21 54.701 -1.160 1.705 1.00 0.00 C ATOM 289 O SER A 21 55.645 -0.690 2.330 1.00 0.00 O ATOM 290 CB SER A 21 55.526 -3.479 1.163 1.00 0.00 C ATOM 291 OG SER A 21 56.633 -3.524 2.039 1.00 0.00 O ATOM 0 H SER A 21 52.353 -3.122 1.734 1.00 0.00 H new ATOM 0 HA SER A 21 54.291 -2.946 2.807 1.00 0.00 H new ATOM 0 HB2 SER A 21 55.178 -4.492 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 21 55.830 -3.048 0.209 1.00 0.00 H new ATOM 0 HG SER A 21 57.436 -3.778 1.538 1.00 0.00 H new ATOM 297 N TRP A 22 53.876 -0.423 0.964 1.00 0.00 N ATOM 298 CA TRP A 22 53.913 1.043 0.970 1.00 0.00 C ATOM 299 C TRP A 22 53.162 1.576 2.174 1.00 0.00 C ATOM 300 O TRP A 22 52.787 2.740 2.220 1.00 0.00 O ATOM 301 CB TRP A 22 53.251 1.620 -0.279 1.00 0.00 C ATOM 302 CG TRP A 22 54.092 1.588 -1.501 1.00 0.00 C ATOM 303 CD1 TRP A 22 54.554 0.490 -2.143 1.00 0.00 C ATOM 304 CD2 TRP A 22 54.547 2.718 -2.243 1.00 0.00 C ATOM 305 NE1 TRP A 22 55.281 0.863 -3.236 1.00 0.00 N ATOM 306 CE2 TRP A 22 55.294 2.227 -3.323 1.00 0.00 C ATOM 307 CE3 TRP A 22 54.393 4.097 -2.099 1.00 0.00 C ATOM 308 CZ2 TRP A 22 55.899 3.066 -4.254 1.00 0.00 C ATOM 309 CZ3 TRP A 22 54.991 4.932 -3.023 1.00 0.00 C ATOM 310 CH2 TRP A 22 55.732 4.413 -4.092 1.00 0.00 C ATOM 0 H TRP A 22 53.167 -0.819 0.346 1.00 0.00 H new ATOM 0 HA TRP A 22 54.961 1.340 1.001 1.00 0.00 H new ATOM 0 HB2 TRP A 22 52.331 1.068 -0.473 1.00 0.00 H new ATOM 0 HB3 TRP A 22 52.966 2.653 -0.078 1.00 0.00 H new ATOM 0 HD1 TRP A 22 54.374 -0.530 -1.836 1.00 0.00 H new ATOM 0 HE1 TRP A 22 55.742 0.225 -3.885 1.00 0.00 H new ATOM 0 HE3 TRP A 22 53.817 4.504 -1.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 56.479 2.668 -5.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 54.885 6.002 -2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 22 56.181 5.091 -4.803 1.00 0.00 H new ATOM 321 N THR A 23 52.918 0.703 3.124 1.00 0.00 N ATOM 322 CA THR A 23 52.159 1.051 4.291 1.00 0.00 C ATOM 323 C THR A 23 53.027 1.853 5.252 1.00 0.00 C ATOM 324 O THR A 23 53.030 3.076 5.217 1.00 0.00 O ATOM 325 CB THR A 23 51.584 -0.229 4.935 1.00 0.00 C ATOM 326 OG1 THR A 23 52.642 -1.151 5.262 1.00 0.00 O ATOM 327 CG2 THR A 23 50.624 -0.908 3.961 1.00 0.00 C ATOM 0 H THR A 23 53.241 -0.264 3.105 1.00 0.00 H new ATOM 0 HA THR A 23 51.315 1.684 4.018 1.00 0.00 H new ATOM 0 HB THR A 23 51.058 0.052 5.847 1.00 0.00 H new ATOM 0 HG1 THR A 23 52.945 -1.603 4.447 1.00 0.00 H new ATOM 0 HG21 THR A 23 50.220 -1.811 4.418 1.00 0.00 H new ATOM 0 HG22 THR A 23 49.808 -0.227 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 23 51.158 -1.172 3.048 1.00 0.00 H new ATOM 335 N CYS A 24 53.780 1.165 6.076 1.00 0.00 N ATOM 336 CA CYS A 24 54.768 1.813 6.906 1.00 0.00 C ATOM 337 C CYS A 24 56.110 1.852 6.186 1.00 0.00 C ATOM 338 O CYS A 24 56.817 0.842 6.113 1.00 0.00 O ATOM 339 CB CYS A 24 54.875 1.121 8.248 1.00 0.00 C ATOM 340 SG CYS A 24 53.471 1.501 9.340 1.00 0.00 S ATOM 0 H CYS A 24 53.727 0.153 6.190 1.00 0.00 H new ATOM 0 HA CYS A 24 54.456 2.840 7.094 1.00 0.00 H new ATOM 0 HB2 CYS A 24 54.931 0.043 8.094 1.00 0.00 H new ATOM 0 HB3 CYS A 24 55.802 1.422 8.736 1.00 0.00 H new ATOM 345 N ASP A 25 56.437 3.013 5.641 1.00 0.00 N ATOM 346 CA ASP A 25 57.604 3.175 4.781 1.00 0.00 C ATOM 347 C ASP A 25 58.434 4.387 5.221 1.00 0.00 C ATOM 348 O ASP A 25 59.484 4.682 4.650 1.00 0.00 O ATOM 349 CB ASP A 25 57.118 3.334 3.333 1.00 0.00 C ATOM 350 CG ASP A 25 58.230 3.467 2.312 1.00 0.00 C ATOM 351 OD1 ASP A 25 58.934 2.459 2.047 1.00 0.00 O ATOM 352 OD2 ASP A 25 58.380 4.573 1.752 1.00 0.00 O ATOM 0 H ASP A 25 55.903 3.871 5.781 1.00 0.00 H new ATOM 0 HA ASP A 25 58.248 2.299 4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 25 56.503 2.473 3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 25 56.478 4.214 3.272 1.00 0.00 H new ATOM 357 N LEU A 26 57.949 5.062 6.269 1.00 0.00 N ATOM 358 CA LEU A 26 58.571 6.266 6.840 1.00 0.00 C ATOM 359 C LEU A 26 58.227 7.517 6.037 1.00 0.00 C ATOM 360 O LEU A 26 58.798 8.588 6.264 1.00 0.00 O ATOM 361 CB LEU A 26 60.092 6.135 6.993 1.00 0.00 C ATOM 362 CG LEU A 26 60.562 5.228 8.131 1.00 0.00 C ATOM 363 CD1 LEU A 26 62.079 5.240 8.224 1.00 0.00 C ATOM 364 CD2 LEU A 26 59.944 5.659 9.454 1.00 0.00 C ATOM 0 H LEU A 26 57.097 4.783 6.755 1.00 0.00 H new ATOM 0 HA LEU A 26 58.150 6.369 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 26 60.503 5.757 6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 26 60.511 7.129 7.147 1.00 0.00 H new ATOM 0 HG LEU A 26 60.234 4.211 7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 26 62.399 4.590 9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 26 62.504 4.882 7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 26 62.424 6.256 8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 26 60.292 5.000 10.250 1.00 0.00 H new ATOM 0 HD22 LEU A 26 60.239 6.684 9.677 1.00 0.00 H new ATOM 0 HD23 LEU A 26 58.858 5.601 9.384 1.00 0.00 H new ATOM 376 N ASP A 27 57.287 7.382 5.115 1.00 0.00 N ATOM 377 CA ASP A 27 56.758 8.525 4.380 1.00 0.00 C ATOM 378 C ASP A 27 55.242 8.410 4.304 1.00 0.00 C ATOM 379 O ASP A 27 54.707 7.440 3.772 1.00 0.00 O ATOM 380 CB ASP A 27 57.372 8.617 2.978 1.00 0.00 C ATOM 381 CG ASP A 27 57.202 9.993 2.362 1.00 0.00 C ATOM 382 OD1 ASP A 27 57.792 10.961 2.891 1.00 0.00 O ATOM 383 OD2 ASP A 27 56.489 10.119 1.349 1.00 0.00 O ATOM 0 H ASP A 27 56.871 6.488 4.855 1.00 0.00 H new ATOM 0 HA ASP A 27 57.025 9.441 4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 27 58.433 8.375 3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.908 7.872 2.331 1.00 0.00 H new ATOM 388 N ASP A 28 54.561 9.400 4.859 1.00 0.00 N ATOM 389 CA ASP A 28 53.113 9.330 5.046 1.00 0.00 C ATOM 390 C ASP A 28 52.372 9.622 3.744 1.00 0.00 C ATOM 391 O ASP A 28 52.282 10.777 3.317 1.00 0.00 O ATOM 392 CB ASP A 28 52.682 10.321 6.141 1.00 0.00 C ATOM 393 CG ASP A 28 51.243 10.136 6.600 1.00 0.00 C ATOM 394 OD1 ASP A 28 50.971 9.156 7.319 1.00 0.00 O ATOM 395 OD2 ASP A 28 50.391 11.001 6.293 1.00 0.00 O ATOM 0 H ASP A 28 54.986 10.266 5.190 1.00 0.00 H new ATOM 0 HA ASP A 28 52.855 8.317 5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 28 53.345 10.212 6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 28 52.808 11.338 5.769 1.00 0.00 H new ATOM 400 N ASP A 29 51.875 8.569 3.099 1.00 0.00 N ATOM 401 CA ASP A 29 51.036 8.722 1.915 1.00 0.00 C ATOM 402 C ASP A 29 49.585 8.848 2.344 1.00 0.00 C ATOM 403 O ASP A 29 48.969 9.911 2.225 1.00 0.00 O ATOM 404 CB ASP A 29 51.216 7.544 0.940 1.00 0.00 C ATOM 405 CG ASP A 29 52.184 7.851 -0.190 1.00 0.00 C ATOM 406 OD1 ASP A 29 51.742 8.440 -1.206 1.00 0.00 O ATOM 407 OD2 ASP A 29 53.381 7.501 -0.081 1.00 0.00 O ATOM 0 H ASP A 29 52.039 7.601 3.377 1.00 0.00 H new ATOM 0 HA ASP A 29 51.339 9.626 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 29 51.574 6.675 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 29 50.247 7.277 0.518 1.00 0.00 H new ATOM 412 N CYS A 30 49.044 7.754 2.836 1.00 0.00 N ATOM 413 CA CYS A 30 47.755 7.755 3.493 1.00 0.00 C ATOM 414 C CYS A 30 47.505 6.400 4.120 1.00 0.00 C ATOM 415 O CYS A 30 47.456 6.285 5.333 1.00 0.00 O ATOM 416 CB CYS A 30 46.598 8.151 2.563 1.00 0.00 C ATOM 417 SG CYS A 30 46.387 7.108 1.077 1.00 0.00 S ATOM 0 H CYS A 30 49.487 6.836 2.791 1.00 0.00 H new ATOM 0 HA CYS A 30 47.788 8.521 4.268 1.00 0.00 H new ATOM 0 HB2 CYS A 30 45.671 8.128 3.136 1.00 0.00 H new ATOM 0 HB3 CYS A 30 46.749 9.182 2.243 1.00 0.00 H new ATOM 422 N GLY A 31 47.392 5.373 3.288 1.00 0.00 N ATOM 423 CA GLY A 31 47.138 4.031 3.778 1.00 0.00 C ATOM 424 C GLY A 31 45.895 3.953 4.640 1.00 0.00 C ATOM 425 O GLY A 31 44.782 3.856 4.127 1.00 0.00 O ATOM 0 H GLY A 31 47.472 5.446 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 31 47.032 3.353 2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 31 47.998 3.689 4.354 1.00 0.00 H new ATOM 429 N ASP A 32 46.092 4.030 5.948 1.00 0.00 N ATOM 430 CA ASP A 32 44.979 4.006 6.899 1.00 0.00 C ATOM 431 C ASP A 32 44.334 5.387 6.906 1.00 0.00 C ATOM 432 O ASP A 32 43.134 5.554 7.108 1.00 0.00 O ATOM 433 CB ASP A 32 45.475 3.681 8.320 1.00 0.00 C ATOM 434 CG ASP A 32 46.474 2.534 8.381 1.00 0.00 C ATOM 435 OD1 ASP A 32 46.173 1.448 7.851 1.00 0.00 O ATOM 436 OD2 ASP A 32 47.567 2.726 8.968 1.00 0.00 O ATOM 0 H ASP A 32 47.012 4.110 6.380 1.00 0.00 H new ATOM 0 HA ASP A 32 44.267 3.237 6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 32 45.935 4.573 8.746 1.00 0.00 H new ATOM 0 HB3 ASP A 32 44.617 3.435 8.946 1.00 0.00 H new ATOM 441 N ARG A 33 45.196 6.351 6.638 1.00 0.00 N ATOM 442 CA ARG A 33 44.936 7.782 6.688 1.00 0.00 C ATOM 443 C ARG A 33 46.290 8.423 6.881 1.00 0.00 C ATOM 444 O ARG A 33 46.669 9.381 6.210 1.00 0.00 O ATOM 445 CB ARG A 33 44.024 8.188 7.850 1.00 0.00 C ATOM 446 CG ARG A 33 44.305 9.597 8.341 1.00 0.00 C ATOM 447 CD ARG A 33 43.924 10.647 7.309 1.00 0.00 C ATOM 448 NE ARG A 33 44.245 12.000 7.761 1.00 0.00 N ATOM 449 CZ ARG A 33 45.389 12.633 7.480 1.00 0.00 C ATOM 450 NH1 ARG A 33 46.358 12.021 6.802 1.00 0.00 N ATOM 451 NH2 ARG A 33 45.569 13.880 7.900 1.00 0.00 N ATOM 0 H ARG A 33 46.156 6.145 6.362 1.00 0.00 H new ATOM 0 HA ARG A 33 44.424 8.096 5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 33 42.983 8.117 7.533 1.00 0.00 H new ATOM 0 HB3 ARG A 33 44.155 7.486 8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 33 43.751 9.777 9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 33 45.364 9.693 8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 33 44.447 10.443 6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 33 42.857 10.578 7.099 1.00 0.00 H new ATOM 0 HE ARG A 33 43.553 12.492 8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 33 46.233 11.058 6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 33 47.226 12.515 6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 33 44.837 14.349 8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 33 46.439 14.369 7.689 1.00 0.00 H new ATOM 465 N SER A 34 46.978 7.844 7.835 1.00 0.00 N ATOM 466 CA SER A 34 48.379 8.061 8.070 1.00 0.00 C ATOM 467 C SER A 34 48.999 6.687 8.243 1.00 0.00 C ATOM 468 O SER A 34 49.024 6.135 9.344 1.00 0.00 O ATOM 469 CB SER A 34 48.606 8.945 9.297 1.00 0.00 C ATOM 470 OG SER A 34 48.189 10.275 9.037 1.00 0.00 O ATOM 0 H SER A 34 46.559 7.185 8.491 1.00 0.00 H new ATOM 0 HA SER A 34 48.841 8.590 7.237 1.00 0.00 H new ATOM 0 HB2 SER A 34 48.054 8.545 10.148 1.00 0.00 H new ATOM 0 HB3 SER A 34 49.662 8.935 9.569 1.00 0.00 H new ATOM 0 HG SER A 34 48.340 10.827 9.833 1.00 0.00 H new ATOM 476 N ASP A 35 49.405 6.128 7.113 1.00 0.00 N ATOM 477 CA ASP A 35 49.835 4.718 6.988 1.00 0.00 C ATOM 478 C ASP A 35 51.073 4.361 7.809 1.00 0.00 C ATOM 479 O ASP A 35 51.609 3.264 7.679 1.00 0.00 O ATOM 480 CB ASP A 35 50.056 4.331 5.516 1.00 0.00 C ATOM 481 CG ASP A 35 50.674 5.431 4.672 1.00 0.00 C ATOM 482 OD1 ASP A 35 51.479 6.220 5.196 1.00 0.00 O ATOM 483 OD2 ASP A 35 50.317 5.518 3.476 1.00 0.00 O ATOM 0 H ASP A 35 49.451 6.640 6.232 1.00 0.00 H new ATOM 0 HA ASP A 35 49.012 4.137 7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 35 50.699 3.452 5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 35 49.099 4.046 5.079 1.00 0.00 H new ATOM 488 N GLU A 36 51.453 5.232 8.719 1.00 0.00 N ATOM 489 CA GLU A 36 52.534 4.945 9.645 1.00 0.00 C ATOM 490 C GLU A 36 51.927 4.614 11.001 1.00 0.00 C ATOM 491 O GLU A 36 52.452 4.982 12.050 1.00 0.00 O ATOM 492 CB GLU A 36 53.481 6.145 9.776 1.00 0.00 C ATOM 493 CG GLU A 36 54.309 6.427 8.531 1.00 0.00 C ATOM 494 CD GLU A 36 55.311 5.329 8.217 1.00 0.00 C ATOM 495 OE1 GLU A 36 56.000 4.848 9.147 1.00 0.00 O ATOM 496 OE2 GLU A 36 55.429 4.955 7.037 1.00 0.00 O ATOM 0 H GLU A 36 51.028 6.151 8.840 1.00 0.00 H new ATOM 0 HA GLU A 36 53.115 4.102 9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 36 52.894 7.032 10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 36 54.155 5.971 10.615 1.00 0.00 H new ATOM 0 HG2 GLU A 36 53.641 6.554 7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 36 54.841 7.369 8.662 1.00 0.00 H new ATOM 503 N SER A 37 50.810 3.889 10.963 1.00 0.00 N ATOM 504 CA SER A 37 50.091 3.542 12.176 1.00 0.00 C ATOM 505 C SER A 37 49.831 2.035 12.279 1.00 0.00 C ATOM 506 O SER A 37 50.471 1.343 13.071 1.00 0.00 O ATOM 507 CB SER A 37 48.762 4.303 12.238 1.00 0.00 C ATOM 508 OG SER A 37 48.956 5.692 12.025 1.00 0.00 O ATOM 0 H SER A 37 50.388 3.534 10.105 1.00 0.00 H new ATOM 0 HA SER A 37 50.719 3.829 13.019 1.00 0.00 H new ATOM 0 HB2 SER A 37 48.079 3.909 11.486 1.00 0.00 H new ATOM 0 HB3 SER A 37 48.293 4.143 13.209 1.00 0.00 H new ATOM 0 HG SER A 37 49.113 5.858 11.072 1.00 0.00 H new ATOM 514 N ALA A 38 48.914 1.524 11.458 1.00 0.00 N ATOM 515 CA ALA A 38 48.375 0.176 11.656 1.00 0.00 C ATOM 516 C ALA A 38 49.296 -0.937 11.153 1.00 0.00 C ATOM 517 O ALA A 38 49.101 -2.106 11.487 1.00 0.00 O ATOM 518 CB ALA A 38 47.014 0.062 10.992 1.00 0.00 C ATOM 0 H ALA A 38 48.530 2.019 10.653 1.00 0.00 H new ATOM 0 HA ALA A 38 48.287 0.036 12.733 1.00 0.00 H new ATOM 0 HB1 ALA A 38 46.619 -0.943 11.143 1.00 0.00 H new ATOM 0 HB2 ALA A 38 46.332 0.790 11.432 1.00 0.00 H new ATOM 0 HB3 ALA A 38 47.113 0.257 9.924 1.00 0.00 H new ATOM 524 N SER A 39 50.296 -0.588 10.368 1.00 0.00 N ATOM 525 CA SER A 39 51.164 -1.600 9.781 1.00 0.00 C ATOM 526 C SER A 39 52.545 -1.591 10.436 1.00 0.00 C ATOM 527 O SER A 39 53.314 -2.547 10.309 1.00 0.00 O ATOM 528 CB SER A 39 51.284 -1.363 8.272 1.00 0.00 C ATOM 529 OG SER A 39 52.072 -2.367 7.649 1.00 0.00 O ATOM 0 H SER A 39 50.529 0.374 10.122 1.00 0.00 H new ATOM 0 HA SER A 39 50.721 -2.580 9.957 1.00 0.00 H new ATOM 0 HB2 SER A 39 50.290 -1.349 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 39 51.729 -0.385 8.090 1.00 0.00 H new ATOM 0 HG SER A 39 52.431 -2.024 6.804 1.00 0.00 H new ATOM 535 N CYS A 40 52.857 -0.497 11.108 1.00 0.00 N ATOM 536 CA CYS A 40 54.156 -0.307 11.739 1.00 0.00 C ATOM 537 C CYS A 40 54.421 -1.285 12.879 1.00 0.00 C ATOM 538 O CYS A 40 53.992 -1.071 14.011 1.00 0.00 O ATOM 539 CB CYS A 40 54.279 1.125 12.260 1.00 0.00 C ATOM 540 SG CYS A 40 54.321 2.394 10.955 1.00 0.00 S ATOM 0 H CYS A 40 52.217 0.288 11.233 1.00 0.00 H new ATOM 0 HA CYS A 40 54.904 -0.501 10.970 1.00 0.00 H new ATOM 0 HB2 CYS A 40 53.440 1.331 12.924 1.00 0.00 H new ATOM 0 HB3 CYS A 40 55.187 1.205 12.858 1.00 0.00 H new ATOM 545 N ALA A 41 55.106 -2.376 12.558 1.00 0.00 N ATOM 546 CA ALA A 41 55.684 -3.245 13.572 1.00 0.00 C ATOM 547 C ALA A 41 57.173 -2.953 13.684 1.00 0.00 C ATOM 548 O ALA A 41 57.751 -2.984 14.765 1.00 0.00 O ATOM 549 CB ALA A 41 55.444 -4.709 13.234 1.00 0.00 C ATOM 0 H ALA A 41 55.274 -2.680 11.599 1.00 0.00 H new ATOM 0 HA ALA A 41 55.204 -3.049 14.531 1.00 0.00 H new ATOM 0 HB1 ALA A 41 55.886 -5.338 14.007 1.00 0.00 H new ATOM 0 HB2 ALA A 41 54.372 -4.899 13.180 1.00 0.00 H new ATOM 0 HB3 ALA A 41 55.902 -4.940 12.272 1.00 0.00 H new ATOM 555 N TYR A 42 57.758 -2.653 12.528 1.00 0.00 N ATOM 556 CA TYR A 42 59.165 -2.252 12.403 1.00 0.00 C ATOM 557 C TYR A 42 60.137 -3.152 13.167 1.00 0.00 C ATOM 558 O TYR A 42 60.644 -2.776 14.220 1.00 0.00 O ATOM 559 CB TYR A 42 59.359 -0.793 12.833 1.00 0.00 C ATOM 560 CG TYR A 42 59.011 0.213 11.756 1.00 0.00 C ATOM 561 CD1 TYR A 42 57.692 0.491 11.429 1.00 0.00 C ATOM 562 CD2 TYR A 42 60.011 0.875 11.056 1.00 0.00 C ATOM 563 CE1 TYR A 42 57.379 1.406 10.444 1.00 0.00 C ATOM 564 CE2 TYR A 42 59.704 1.792 10.069 1.00 0.00 C ATOM 565 CZ TYR A 42 58.384 2.052 9.765 1.00 0.00 C ATOM 566 OH TYR A 42 58.066 2.958 8.780 1.00 0.00 O ATOM 0 H TYR A 42 57.265 -2.681 11.636 1.00 0.00 H new ATOM 0 HA TYR A 42 59.405 -2.362 11.345 1.00 0.00 H new ATOM 0 HB2 TYR A 42 58.744 -0.598 13.712 1.00 0.00 H new ATOM 0 HB3 TYR A 42 60.397 -0.647 13.132 1.00 0.00 H new ATOM 0 HD1 TYR A 42 56.896 -0.017 11.954 1.00 0.00 H new ATOM 0 HD2 TYR A 42 61.046 0.670 11.287 1.00 0.00 H new ATOM 0 HE1 TYR A 42 56.346 1.614 10.207 1.00 0.00 H new ATOM 0 HE2 TYR A 42 60.494 2.303 9.538 1.00 0.00 H new ATOM 0 HH TYR A 42 57.351 3.548 9.097 1.00 0.00 H new ATOM 576 N PRO A 43 60.414 -4.360 12.644 1.00 0.00 N ATOM 577 CA PRO A 43 61.531 -5.177 13.121 1.00 0.00 C ATOM 578 C PRO A 43 62.849 -4.605 12.603 1.00 0.00 C ATOM 579 O PRO A 43 63.932 -4.929 13.084 1.00 0.00 O ATOM 580 CB PRO A 43 61.265 -6.567 12.517 1.00 0.00 C ATOM 581 CG PRO A 43 59.901 -6.495 11.910 1.00 0.00 C ATOM 582 CD PRO A 43 59.651 -5.047 11.598 1.00 0.00 C ATOM 0 HA PRO A 43 61.606 -5.207 14.208 1.00 0.00 H new ATOM 0 HB2 PRO A 43 62.014 -6.816 11.766 1.00 0.00 H new ATOM 0 HB3 PRO A 43 61.311 -7.341 13.283 1.00 0.00 H new ATOM 0 HG2 PRO A 43 59.846 -7.102 11.006 1.00 0.00 H new ATOM 0 HG3 PRO A 43 59.149 -6.879 12.599 1.00 0.00 H new ATOM 0 HD2 PRO A 43 60.000 -4.781 10.600 1.00 0.00 H new ATOM 0 HD3 PRO A 43 58.590 -4.800 11.641 1.00 0.00 H new ATOM 590 N THR A 44 62.716 -3.751 11.593 1.00 0.00 N ATOM 591 CA THR A 44 63.831 -3.038 10.989 1.00 0.00 C ATOM 592 C THR A 44 63.292 -1.976 10.033 1.00 0.00 C ATOM 593 O THR A 44 63.420 -0.783 10.281 1.00 0.00 O ATOM 594 CB THR A 44 64.837 -3.991 10.278 1.00 0.00 C ATOM 595 OG1 THR A 44 65.680 -3.254 9.384 1.00 0.00 O ATOM 596 CG2 THR A 44 64.138 -5.112 9.515 1.00 0.00 C ATOM 0 H THR A 44 61.816 -3.533 11.166 1.00 0.00 H new ATOM 0 HA THR A 44 64.396 -2.553 11.785 1.00 0.00 H new ATOM 0 HB THR A 44 65.441 -4.450 11.060 1.00 0.00 H new ATOM 0 HG1 THR A 44 66.307 -3.867 8.946 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.884 -5.748 9.038 1.00 0.00 H new ATOM 0 HG22 THR A 44 63.543 -5.708 10.208 1.00 0.00 H new ATOM 0 HG23 THR A 44 63.487 -4.683 8.754 1.00 0.00 H new ATOM 604 N CYS A 45 62.658 -2.432 8.970 1.00 0.00 N ATOM 605 CA CYS A 45 61.973 -1.558 8.020 1.00 0.00 C ATOM 606 C CYS A 45 60.915 -2.328 7.249 1.00 0.00 C ATOM 607 O CYS A 45 60.164 -1.754 6.469 1.00 0.00 O ATOM 608 CB CYS A 45 62.951 -0.925 7.024 1.00 0.00 C ATOM 609 SG CYS A 45 63.658 0.655 7.577 1.00 0.00 S ATOM 0 H CYS A 45 62.600 -3.423 8.734 1.00 0.00 H new ATOM 0 HA CYS A 45 61.503 -0.765 8.601 1.00 0.00 H new ATOM 0 HB2 CYS A 45 63.763 -1.627 6.833 1.00 0.00 H new ATOM 0 HB3 CYS A 45 62.436 -0.768 6.076 1.00 0.00 H new ATOM 614 N PHE A 46 60.862 -3.635 7.470 1.00 0.00 N ATOM 615 CA PHE A 46 59.942 -4.494 6.745 1.00 0.00 C ATOM 616 C PHE A 46 58.711 -4.814 7.590 1.00 0.00 C ATOM 617 O PHE A 46 58.807 -5.457 8.637 1.00 0.00 O ATOM 618 CB PHE A 46 60.675 -5.775 6.278 1.00 0.00 C ATOM 619 CG PHE A 46 59.973 -7.077 6.586 1.00 0.00 C ATOM 620 CD1 PHE A 46 58.795 -7.425 5.944 1.00 0.00 C ATOM 621 CD2 PHE A 46 60.497 -7.950 7.527 1.00 0.00 C ATOM 622 CE1 PHE A 46 58.154 -8.614 6.234 1.00 0.00 C ATOM 623 CE2 PHE A 46 59.861 -9.141 7.819 1.00 0.00 C ATOM 624 CZ PHE A 46 58.686 -9.472 7.174 1.00 0.00 C ATOM 0 H PHE A 46 61.448 -4.122 8.148 1.00 0.00 H new ATOM 0 HA PHE A 46 59.587 -3.968 5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 46 60.829 -5.712 5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 46 61.662 -5.797 6.740 1.00 0.00 H new ATOM 0 HD1 PHE A 46 58.373 -6.758 5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 46 61.414 -7.696 8.038 1.00 0.00 H new ATOM 0 HE1 PHE A 46 57.237 -8.872 5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 46 60.283 -9.813 8.552 1.00 0.00 H new ATOM 0 HZ PHE A 46 58.185 -10.400 7.405 1.00 0.00 H new ATOM 634 N PRO A 47 57.545 -4.289 7.187 1.00 0.00 N ATOM 635 CA PRO A 47 56.266 -4.733 7.703 1.00 0.00 C ATOM 636 C PRO A 47 55.623 -5.781 6.799 1.00 0.00 C ATOM 637 O PRO A 47 54.747 -6.530 7.225 1.00 0.00 O ATOM 638 CB PRO A 47 55.450 -3.445 7.711 1.00 0.00 C ATOM 639 CG PRO A 47 56.003 -2.614 6.592 1.00 0.00 C ATOM 640 CD PRO A 47 57.379 -3.155 6.263 1.00 0.00 C ATOM 0 HA PRO A 47 56.342 -5.213 8.678 1.00 0.00 H new ATOM 0 HB2 PRO A 47 54.390 -3.651 7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 47 55.542 -2.928 8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 47 55.352 -2.664 5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 47 56.063 -1.566 6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 47 57.444 -3.475 5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 47 58.151 -2.401 6.414 1.00 0.00 H new ATOM 648 N LEU A 48 56.089 -5.834 5.556 1.00 0.00 N ATOM 649 CA LEU A 48 55.507 -6.708 4.544 1.00 0.00 C ATOM 650 C LEU A 48 56.567 -7.212 3.567 1.00 0.00 C ATOM 651 O LEU A 48 56.677 -8.415 3.337 1.00 0.00 O ATOM 652 CB LEU A 48 54.390 -5.971 3.800 1.00 0.00 C ATOM 653 CG LEU A 48 53.162 -5.684 4.658 1.00 0.00 C ATOM 654 CD1 LEU A 48 52.321 -4.578 4.054 1.00 0.00 C ATOM 655 CD2 LEU A 48 52.326 -6.946 4.828 1.00 0.00 C ATOM 0 H LEU A 48 56.876 -5.276 5.223 1.00 0.00 H new ATOM 0 HA LEU A 48 55.085 -7.579 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 48 54.782 -5.029 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 48 54.088 -6.565 2.937 1.00 0.00 H new ATOM 0 HG LEU A 48 53.507 -5.353 5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 48 51.452 -4.395 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 48 52.916 -3.667 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 48 51.989 -4.875 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 48 51.454 -6.724 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 48 52.000 -7.301 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 48 52.925 -7.717 5.313 1.00 0.00 H new ATOM 667 N THR A 49 57.351 -6.295 2.998 1.00 0.00 N ATOM 668 CA THR A 49 58.423 -6.658 2.085 1.00 0.00 C ATOM 669 C THR A 49 59.195 -5.394 1.667 1.00 0.00 C ATOM 670 O THR A 49 58.831 -4.677 0.736 1.00 0.00 O ATOM 671 CB THR A 49 57.879 -7.464 0.869 1.00 0.00 C ATOM 672 OG1 THR A 49 58.951 -7.931 0.055 1.00 0.00 O ATOM 673 CG2 THR A 49 56.894 -6.661 0.018 1.00 0.00 C ATOM 0 H THR A 49 57.259 -5.292 3.158 1.00 0.00 H new ATOM 0 HA THR A 49 59.123 -7.320 2.594 1.00 0.00 H new ATOM 0 HB THR A 49 57.335 -8.314 1.281 1.00 0.00 H new ATOM 0 HG1 THR A 49 59.743 -8.082 0.612 1.00 0.00 H new ATOM 0 HG21 THR A 49 56.549 -7.274 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 49 56.041 -6.366 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 49 57.389 -5.770 -0.368 1.00 0.00 H new ATOM 681 N GLN A 50 60.263 -5.116 2.400 1.00 0.00 N ATOM 682 CA GLN A 50 60.941 -3.825 2.326 1.00 0.00 C ATOM 683 C GLN A 50 62.458 -3.974 2.361 1.00 0.00 C ATOM 684 O GLN A 50 62.992 -5.069 2.527 1.00 0.00 O ATOM 685 CB GLN A 50 60.524 -2.953 3.512 1.00 0.00 C ATOM 686 CG GLN A 50 59.095 -2.450 3.461 1.00 0.00 C ATOM 687 CD GLN A 50 58.921 -1.273 2.529 1.00 0.00 C ATOM 688 OE1 GLN A 50 58.645 -1.443 1.341 1.00 0.00 O ATOM 689 NE2 GLN A 50 59.074 -0.074 3.070 1.00 0.00 N ATOM 0 H GLN A 50 60.683 -5.771 3.059 1.00 0.00 H new ATOM 0 HA GLN A 50 60.653 -3.366 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 50 60.661 -3.524 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 50 61.194 -2.095 3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 50 58.441 -3.261 3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 50 58.780 -2.163 4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 50 59.303 0.013 4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 50 58.963 0.762 2.497 1.00 0.00 H new ATOM 698 N PHE A 51 63.126 -2.843 2.224 1.00 0.00 N ATOM 699 CA PHE A 51 64.566 -2.736 2.378 1.00 0.00 C ATOM 700 C PHE A 51 64.842 -1.510 3.243 1.00 0.00 C ATOM 701 O PHE A 51 64.033 -0.591 3.270 1.00 0.00 O ATOM 702 CB PHE A 51 65.227 -2.593 0.999 1.00 0.00 C ATOM 703 CG PHE A 51 66.732 -2.536 1.021 1.00 0.00 C ATOM 704 CD1 PHE A 51 67.484 -3.693 0.921 1.00 0.00 C ATOM 705 CD2 PHE A 51 67.393 -1.320 1.118 1.00 0.00 C ATOM 706 CE1 PHE A 51 68.863 -3.642 0.925 1.00 0.00 C ATOM 707 CE2 PHE A 51 68.771 -1.261 1.126 1.00 0.00 C ATOM 708 CZ PHE A 51 69.508 -2.423 1.030 1.00 0.00 C ATOM 0 H PHE A 51 62.675 -1.957 1.998 1.00 0.00 H new ATOM 0 HA PHE A 51 64.978 -3.627 2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 51 64.919 -3.432 0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 51 64.850 -1.687 0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 51 66.986 -4.648 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 51 66.821 -0.407 1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 51 69.438 -4.553 0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 51 69.272 -0.307 1.207 1.00 0.00 H new ATOM 0 HZ PHE A 51 70.587 -2.381 1.037 1.00 0.00 H new ATOM 718 N THR A 52 65.946 -1.480 3.965 1.00 0.00 N ATOM 719 CA THR A 52 66.242 -0.319 4.786 1.00 0.00 C ATOM 720 C THR A 52 67.402 0.477 4.198 1.00 0.00 C ATOM 721 O THR A 52 68.495 -0.049 3.975 1.00 0.00 O ATOM 722 CB THR A 52 66.545 -0.704 6.257 1.00 0.00 C ATOM 723 OG1 THR A 52 66.669 0.470 7.067 1.00 0.00 O ATOM 724 CG2 THR A 52 67.822 -1.517 6.369 1.00 0.00 C ATOM 0 H THR A 52 66.639 -2.227 4.002 1.00 0.00 H new ATOM 0 HA THR A 52 65.348 0.305 4.789 1.00 0.00 H new ATOM 0 HB THR A 52 65.711 -1.311 6.609 1.00 0.00 H new ATOM 0 HG1 THR A 52 65.812 0.659 7.503 1.00 0.00 H new ATOM 0 HG21 THR A 52 68.003 -1.769 7.414 1.00 0.00 H new ATOM 0 HG22 THR A 52 67.722 -2.433 5.787 1.00 0.00 H new ATOM 0 HG23 THR A 52 68.659 -0.934 5.986 1.00 0.00 H new ATOM 732 N CYS A 53 67.132 1.732 3.868 1.00 0.00 N ATOM 733 CA CYS A 53 68.210 2.662 3.572 1.00 0.00 C ATOM 734 C CYS A 53 69.220 2.687 4.709 1.00 0.00 C ATOM 735 O CYS A 53 68.850 2.841 5.867 1.00 0.00 O ATOM 736 CB CYS A 53 67.676 4.069 3.364 1.00 0.00 C ATOM 737 SG CYS A 53 66.721 4.284 1.843 1.00 0.00 S ATOM 0 H CYS A 53 66.193 2.124 3.799 1.00 0.00 H new ATOM 0 HA CYS A 53 68.692 2.321 2.656 1.00 0.00 H new ATOM 0 HB2 CYS A 53 67.049 4.337 4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 53 68.514 4.766 3.355 1.00 0.00 H new ATOM 742 N ASN A 54 70.497 2.562 4.373 1.00 0.00 N ATOM 743 CA ASN A 54 71.559 2.630 5.374 1.00 0.00 C ATOM 744 C ASN A 54 71.657 4.044 5.922 1.00 0.00 C ATOM 745 O ASN A 54 72.271 4.287 6.958 1.00 0.00 O ATOM 746 CB ASN A 54 72.903 2.186 4.787 1.00 0.00 C ATOM 747 CG ASN A 54 72.963 0.689 4.558 1.00 0.00 C ATOM 748 OD1 ASN A 54 73.398 -0.066 5.423 1.00 0.00 O ATOM 749 ND2 ASN A 54 72.516 0.251 3.393 1.00 0.00 N ATOM 0 H ASN A 54 70.824 2.413 3.418 1.00 0.00 H new ATOM 0 HA ASN A 54 71.312 1.947 6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 54 73.073 2.703 3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 54 73.707 2.481 5.461 1.00 0.00 H new ATOM 0 HD21 ASN A 54 72.525 -0.748 3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 54 72.163 0.912 2.701 1.00 0.00 H new ATOM 756 N ASN A 55 71.036 4.976 5.199 1.00 0.00 N ATOM 757 CA ASN A 55 70.879 6.345 5.660 1.00 0.00 C ATOM 758 C ASN A 55 69.964 6.387 6.890 1.00 0.00 C ATOM 759 O ASN A 55 69.957 7.359 7.643 1.00 0.00 O ATOM 760 CB ASN A 55 70.286 7.196 4.530 1.00 0.00 C ATOM 761 CG ASN A 55 70.285 8.686 4.824 1.00 0.00 C ATOM 762 OD1 ASN A 55 69.366 9.206 5.453 1.00 0.00 O ATOM 763 ND2 ASN A 55 71.278 9.389 4.310 1.00 0.00 N ATOM 0 H ASN A 55 70.630 4.798 4.280 1.00 0.00 H new ATOM 0 HA ASN A 55 71.853 6.746 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 55 70.852 7.015 3.616 1.00 0.00 H new ATOM 0 HB3 ASN A 55 69.263 6.871 4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 55 71.301 10.402 4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 55 72.022 8.919 3.794 1.00 0.00 H new ATOM 770 N GLY A 56 69.191 5.318 7.087 1.00 0.00 N ATOM 771 CA GLY A 56 68.297 5.244 8.226 1.00 0.00 C ATOM 772 C GLY A 56 66.833 5.199 7.822 1.00 0.00 C ATOM 773 O GLY A 56 65.950 5.176 8.676 1.00 0.00 O ATOM 0 H GLY A 56 69.171 4.502 6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 56 68.535 4.356 8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 56 68.465 6.106 8.871 1.00 0.00 H new ATOM 777 N ARG A 57 66.572 5.217 6.520 1.00 0.00 N ATOM 778 CA ARG A 57 65.197 5.216 6.022 1.00 0.00 C ATOM 779 C ARG A 57 64.733 3.799 5.716 1.00 0.00 C ATOM 780 O ARG A 57 65.497 2.844 5.830 1.00 0.00 O ATOM 781 CB ARG A 57 65.050 6.069 4.758 1.00 0.00 C ATOM 782 CG ARG A 57 65.458 7.519 4.928 1.00 0.00 C ATOM 783 CD ARG A 57 66.748 7.809 4.188 1.00 0.00 C ATOM 784 NE ARG A 57 66.599 7.673 2.740 1.00 0.00 N ATOM 785 CZ ARG A 57 67.490 8.135 1.864 1.00 0.00 C ATOM 786 NH1 ARG A 57 68.523 8.844 2.284 1.00 0.00 N ATOM 787 NH2 ARG A 57 67.349 7.906 0.568 1.00 0.00 N ATOM 0 H ARG A 57 67.287 5.232 5.793 1.00 0.00 H new ATOM 0 HA ARG A 57 64.577 5.645 6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 57 65.651 5.626 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 57 64.011 6.033 4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 57 64.667 8.169 4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 57 65.583 7.744 5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 57 67.080 8.820 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 57 67.525 7.129 4.537 1.00 0.00 H new ATOM 0 HE ARG A 57 65.770 7.200 2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 57 68.638 9.037 3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 57 69.205 9.198 1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 57 66.550 7.370 0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 57 68.039 8.266 -0.091 1.00 0.00 H new ATOM 801 N CYS A 58 63.489 3.684 5.297 1.00 0.00 N ATOM 802 CA CYS A 58 62.952 2.433 4.806 1.00 0.00 C ATOM 803 C CYS A 58 62.551 2.627 3.351 1.00 0.00 C ATOM 804 O CYS A 58 62.094 3.704 2.981 1.00 0.00 O ATOM 805 CB CYS A 58 61.742 2.009 5.646 1.00 0.00 C ATOM 806 SG CYS A 58 62.085 1.928 7.435 1.00 0.00 S ATOM 0 H CYS A 58 62.822 4.456 5.288 1.00 0.00 H new ATOM 0 HA CYS A 58 63.702 1.646 4.882 1.00 0.00 H new ATOM 0 HB2 CYS A 58 60.926 2.711 5.473 1.00 0.00 H new ATOM 0 HB3 CYS A 58 61.399 1.032 5.306 1.00 0.00 H new ATOM 811 N ILE A 59 62.788 1.624 2.517 1.00 0.00 N ATOM 812 CA ILE A 59 62.335 1.676 1.138 1.00 0.00 C ATOM 813 C ILE A 59 61.723 0.348 0.723 1.00 0.00 C ATOM 814 O ILE A 59 61.803 -0.635 1.460 1.00 0.00 O ATOM 815 CB ILE A 59 63.445 2.038 0.125 1.00 0.00 C ATOM 816 CG1 ILE A 59 64.600 1.043 0.190 1.00 0.00 C ATOM 817 CG2 ILE A 59 63.939 3.454 0.349 1.00 0.00 C ATOM 818 CD1 ILE A 59 65.535 1.145 -0.996 1.00 0.00 C ATOM 0 H ILE A 59 63.288 0.772 2.770 1.00 0.00 H new ATOM 0 HA ILE A 59 61.593 2.474 1.113 1.00 0.00 H new ATOM 0 HB ILE A 59 63.014 1.982 -0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 59 65.165 1.210 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 59 64.198 0.031 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 59 64.720 3.686 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 59 63.111 4.152 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 59 64.342 3.543 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 59 66.335 0.412 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 59 64.981 0.949 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 59 65.963 2.147 -1.037 1.00 0.00 H new ATOM 830 N ASN A 60 61.128 0.325 -0.464 1.00 0.00 N ATOM 831 CA ASN A 60 60.566 -0.900 -1.034 1.00 0.00 C ATOM 832 C ASN A 60 61.652 -1.925 -1.311 1.00 0.00 C ATOM 833 O ASN A 60 62.782 -1.567 -1.642 1.00 0.00 O ATOM 834 CB ASN A 60 59.829 -0.603 -2.342 1.00 0.00 C ATOM 835 CG ASN A 60 58.360 -0.287 -2.159 1.00 0.00 C ATOM 836 OD1 ASN A 60 57.556 -0.586 -3.037 1.00 0.00 O ATOM 837 ND2 ASN A 60 57.996 0.316 -1.034 1.00 0.00 N ATOM 0 H ASN A 60 61.020 1.148 -1.057 1.00 0.00 H new ATOM 0 HA ASN A 60 59.867 -1.303 -0.301 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.313 0.239 -2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 60 59.926 -1.462 -3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 60 57.016 0.548 -0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 60 58.697 0.547 -0.330 1.00 0.00 H new ATOM 844 N ILE A 61 61.304 -3.202 -1.200 1.00 0.00 N ATOM 845 CA ILE A 61 62.243 -4.277 -1.508 1.00 0.00 C ATOM 846 C ILE A 61 62.323 -4.499 -3.024 1.00 0.00 C ATOM 847 O ILE A 61 63.142 -5.273 -3.519 1.00 0.00 O ATOM 848 CB ILE A 61 61.830 -5.603 -0.840 1.00 0.00 C ATOM 849 CG1 ILE A 61 63.020 -6.567 -0.797 1.00 0.00 C ATOM 850 CG2 ILE A 61 60.666 -6.227 -1.593 1.00 0.00 C ATOM 851 CD1 ILE A 61 62.717 -7.893 -0.135 1.00 0.00 C ATOM 0 H ILE A 61 60.382 -3.519 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 61 63.215 -3.973 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 61 61.513 -5.399 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.362 -6.751 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.843 -6.088 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 61 60.382 -7.163 -1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 61 59.818 -5.543 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 61 60.962 -6.423 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.610 -8.517 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.405 -7.722 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 61 61.917 -8.396 -0.678 1.00 0.00 H new ATOM 863 N ASN A 62 61.456 -3.813 -3.754 1.00 0.00 N ATOM 864 CA ASN A 62 61.323 -4.026 -5.190 1.00 0.00 C ATOM 865 C ASN A 62 62.249 -3.097 -5.976 1.00 0.00 C ATOM 866 O ASN A 62 62.090 -2.919 -7.179 1.00 0.00 O ATOM 867 CB ASN A 62 59.863 -3.800 -5.602 1.00 0.00 C ATOM 868 CG ASN A 62 59.544 -4.294 -7.004 1.00 0.00 C ATOM 869 OD1 ASN A 62 58.690 -3.736 -7.687 1.00 0.00 O ATOM 870 ND2 ASN A 62 60.215 -5.350 -7.438 1.00 0.00 N ATOM 0 H ASN A 62 60.831 -3.101 -3.375 1.00 0.00 H new ATOM 0 HA ASN A 62 61.613 -5.051 -5.420 1.00 0.00 H new ATOM 0 HB2 ASN A 62 59.211 -4.306 -4.890 1.00 0.00 H new ATOM 0 HB3 ASN A 62 59.637 -2.735 -5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 62 60.029 -5.726 -8.368 1.00 0.00 H new ATOM 0 HD22 ASN A 62 60.918 -5.788 -6.842 1.00 0.00 H new ATOM 877 N TRP A 63 63.234 -2.527 -5.296 1.00 0.00 N ATOM 878 CA TRP A 63 64.144 -1.586 -5.938 1.00 0.00 C ATOM 879 C TRP A 63 65.523 -2.214 -6.112 1.00 0.00 C ATOM 880 O TRP A 63 66.487 -1.552 -6.496 1.00 0.00 O ATOM 881 CB TRP A 63 64.202 -0.279 -5.143 1.00 0.00 C ATOM 882 CG TRP A 63 62.909 0.477 -5.215 1.00 0.00 C ATOM 883 CD1 TRP A 63 61.883 0.239 -6.077 1.00 0.00 C ATOM 884 CD2 TRP A 63 62.505 1.588 -4.415 1.00 0.00 C ATOM 885 NE1 TRP A 63 60.859 1.122 -5.855 1.00 0.00 N ATOM 886 CE2 TRP A 63 61.219 1.966 -4.842 1.00 0.00 C ATOM 887 CE3 TRP A 63 63.102 2.293 -3.382 1.00 0.00 C ATOM 888 CZ2 TRP A 63 60.525 3.025 -4.267 1.00 0.00 C ATOM 889 CZ3 TRP A 63 62.416 3.346 -2.808 1.00 0.00 C ATOM 890 CH2 TRP A 63 61.137 3.703 -3.251 1.00 0.00 C ATOM 0 H TRP A 63 63.423 -2.697 -4.308 1.00 0.00 H new ATOM 0 HA TRP A 63 63.770 -1.347 -6.933 1.00 0.00 H new ATOM 0 HB2 TRP A 63 64.437 -0.498 -4.101 1.00 0.00 H new ATOM 0 HB3 TRP A 63 65.009 0.344 -5.528 1.00 0.00 H new ATOM 0 HD1 TRP A 63 61.877 -0.536 -6.829 1.00 0.00 H new ATOM 0 HE1 TRP A 63 59.974 1.146 -6.362 1.00 0.00 H new ATOM 0 HE3 TRP A 63 64.087 2.024 -3.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 59.539 3.301 -4.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 62.874 3.903 -2.004 1.00 0.00 H new ATOM 0 HH2 TRP A 63 60.625 4.529 -2.781 1.00 0.00 H new ATOM 901 N ARG A 64 65.594 -3.513 -5.823 1.00 0.00 N ATOM 902 CA ARG A 64 66.795 -4.306 -6.062 1.00 0.00 C ATOM 903 C ARG A 64 67.030 -4.434 -7.566 1.00 0.00 C ATOM 904 O ARG A 64 66.370 -5.230 -8.231 1.00 0.00 O ATOM 905 CB ARG A 64 66.627 -5.697 -5.434 1.00 0.00 C ATOM 906 CG ARG A 64 67.837 -6.611 -5.576 1.00 0.00 C ATOM 907 CD ARG A 64 68.973 -6.202 -4.654 1.00 0.00 C ATOM 908 NE ARG A 64 68.618 -6.321 -3.241 1.00 0.00 N ATOM 909 CZ ARG A 64 69.513 -6.255 -2.258 1.00 0.00 C ATOM 910 NH1 ARG A 64 70.806 -6.229 -2.549 1.00 0.00 N ATOM 911 NH2 ARG A 64 69.120 -6.257 -0.989 1.00 0.00 N ATOM 0 H ARG A 64 64.822 -4.042 -5.418 1.00 0.00 H new ATOM 0 HA ARG A 64 67.655 -3.814 -5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 64 66.402 -5.577 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 64 65.765 -6.185 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 64 67.543 -7.637 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 64 68.185 -6.594 -6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 64 69.845 -6.823 -4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 64 69.258 -5.172 -4.868 1.00 0.00 H new ATOM 0 HE ARG A 64 67.638 -6.461 -2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 64 71.110 -6.260 -3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 64 71.496 -6.178 -1.800 1.00 0.00 H new ATOM 0 HH21 ARG A 64 68.127 -6.309 -0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 64 69.811 -6.206 -0.241 1.00 0.00 H new ATOM 925 N CYS A 65 67.949 -3.643 -8.104 1.00 0.00 N ATOM 926 CA CYS A 65 68.144 -3.591 -9.548 1.00 0.00 C ATOM 927 C CYS A 65 69.523 -4.089 -9.960 1.00 0.00 C ATOM 928 O CYS A 65 69.681 -5.228 -10.405 1.00 0.00 O ATOM 929 CB CYS A 65 67.929 -2.163 -10.062 1.00 0.00 C ATOM 930 SG CYS A 65 66.242 -1.517 -9.806 1.00 0.00 S ATOM 0 H CYS A 65 68.567 -3.033 -7.568 1.00 0.00 H new ATOM 0 HA CYS A 65 67.406 -4.256 -9.997 1.00 0.00 H new ATOM 0 HB2 CYS A 65 68.638 -1.500 -9.566 1.00 0.00 H new ATOM 0 HB3 CYS A 65 68.158 -2.135 -11.127 1.00 0.00 H new ATOM 0 HG CYS A 65 66.045 -1.308 -8.538 1.00 0.00 H new ATOM 935 N ASP A 66 70.507 -3.231 -9.793 1.00 0.00 N ATOM 936 CA ASP A 66 71.858 -3.480 -10.283 1.00 0.00 C ATOM 937 C ASP A 66 72.540 -4.582 -9.481 1.00 0.00 C ATOM 938 O ASP A 66 72.723 -5.697 -9.978 1.00 0.00 O ATOM 939 CB ASP A 66 72.671 -2.184 -10.241 1.00 0.00 C ATOM 940 CG ASP A 66 71.985 -1.058 -10.989 1.00 0.00 C ATOM 941 OD1 ASP A 66 70.920 -0.590 -10.517 1.00 0.00 O ATOM 942 OD2 ASP A 66 72.503 -0.648 -12.052 1.00 0.00 O ATOM 0 H ASP A 66 70.399 -2.337 -9.313 1.00 0.00 H new ATOM 0 HA ASP A 66 71.797 -3.822 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 66 72.827 -1.888 -9.204 1.00 0.00 H new ATOM 0 HB3 ASP A 66 73.656 -2.360 -10.674 1.00 0.00 H new ATOM 947 N ASN A 67 72.923 -4.282 -8.249 1.00 0.00 N ATOM 948 CA ASN A 67 73.438 -5.301 -7.361 1.00 0.00 C ATOM 949 C ASN A 67 72.772 -5.231 -5.992 1.00 0.00 C ATOM 950 O ASN A 67 72.688 -6.236 -5.282 1.00 0.00 O ATOM 951 CB ASN A 67 74.983 -5.269 -7.251 1.00 0.00 C ATOM 952 CG ASN A 67 75.601 -3.963 -6.745 1.00 0.00 C ATOM 953 OD1 ASN A 67 76.657 -3.557 -7.228 1.00 0.00 O ATOM 954 ND2 ASN A 67 75.000 -3.326 -5.753 1.00 0.00 N ATOM 0 H ASN A 67 72.886 -3.345 -7.847 1.00 0.00 H new ATOM 0 HA ASN A 67 73.183 -6.263 -7.805 1.00 0.00 H new ATOM 0 HB2 ASN A 67 75.295 -6.075 -6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 67 75.400 -5.486 -8.234 1.00 0.00 H new ATOM 0 HD21 ASN A 67 75.412 -2.475 -5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 67 74.125 -3.686 -5.372 1.00 0.00 H new ATOM 961 N ASP A 68 72.274 -4.058 -5.628 1.00 0.00 N ATOM 962 CA ASP A 68 71.566 -3.911 -4.369 1.00 0.00 C ATOM 963 C ASP A 68 70.226 -3.207 -4.598 1.00 0.00 C ATOM 964 O ASP A 68 69.750 -3.131 -5.736 1.00 0.00 O ATOM 965 CB ASP A 68 72.427 -3.184 -3.330 1.00 0.00 C ATOM 966 CG ASP A 68 72.010 -3.532 -1.911 1.00 0.00 C ATOM 967 OD1 ASP A 68 72.516 -4.543 -1.370 1.00 0.00 O ATOM 968 OD2 ASP A 68 71.147 -2.831 -1.354 1.00 0.00 O ATOM 0 H ASP A 68 72.347 -3.204 -6.181 1.00 0.00 H new ATOM 0 HA ASP A 68 71.359 -4.902 -3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.474 -3.448 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 68 72.346 -2.107 -3.479 1.00 0.00 H new ATOM 973 N ASN A 69 69.608 -2.719 -3.531 1.00 0.00 N ATOM 974 CA ASN A 69 68.227 -2.251 -3.585 1.00 0.00 C ATOM 975 C ASN A 69 68.167 -0.728 -3.509 1.00 0.00 C ATOM 976 O ASN A 69 68.309 -0.150 -2.429 1.00 0.00 O ATOM 977 CB ASN A 69 67.448 -2.865 -2.423 1.00 0.00 C ATOM 978 CG ASN A 69 65.952 -2.738 -2.577 1.00 0.00 C ATOM 979 OD1 ASN A 69 65.284 -3.658 -3.036 1.00 0.00 O ATOM 980 ND2 ASN A 69 65.419 -1.595 -2.211 1.00 0.00 N ATOM 0 H ASN A 69 70.043 -2.636 -2.612 1.00 0.00 H new ATOM 0 HA ASN A 69 67.783 -2.559 -4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 69 67.710 -3.920 -2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 69 67.753 -2.383 -1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 69 64.414 -1.448 -2.304 1.00 0.00 H new ATOM 0 HD22 ASN A 69 66.010 -0.854 -1.833 1.00 0.00 H new ATOM 987 N ASP A 70 67.908 -0.109 -4.655 1.00 0.00 N ATOM 988 CA ASP A 70 68.072 1.334 -4.846 1.00 0.00 C ATOM 989 C ASP A 70 67.350 2.168 -3.797 1.00 0.00 C ATOM 990 O ASP A 70 66.122 2.190 -3.738 1.00 0.00 O ATOM 991 CB ASP A 70 67.567 1.747 -6.214 1.00 0.00 C ATOM 992 CG ASP A 70 68.362 2.905 -6.784 1.00 0.00 C ATOM 993 OD1 ASP A 70 68.031 4.069 -6.476 1.00 0.00 O ATOM 994 OD2 ASP A 70 69.323 2.647 -7.545 1.00 0.00 O ATOM 0 H ASP A 70 67.575 -0.596 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 70 69.141 1.525 -4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 70 67.625 0.897 -6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 70 66.516 2.028 -6.144 1.00 0.00 H new ATOM 999 N CYS A 71 68.129 2.850 -2.978 1.00 0.00 N ATOM 1000 CA CYS A 71 67.608 3.767 -1.984 1.00 0.00 C ATOM 1001 C CYS A 71 67.827 5.209 -2.423 1.00 0.00 C ATOM 1002 O CYS A 71 66.998 6.086 -2.156 1.00 0.00 O ATOM 1003 CB CYS A 71 68.288 3.519 -0.641 1.00 0.00 C ATOM 1004 SG CYS A 71 68.133 4.902 0.532 1.00 0.00 S ATOM 0 H CYS A 71 69.147 2.782 -2.985 1.00 0.00 H new ATOM 0 HA CYS A 71 66.537 3.596 -1.878 1.00 0.00 H new ATOM 0 HB2 CYS A 71 67.862 2.623 -0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 71 69.345 3.318 -0.812 1.00 0.00 H new ATOM 1009 N GLY A 72 68.950 5.454 -3.095 1.00 0.00 N ATOM 1010 CA GLY A 72 69.208 6.778 -3.620 1.00 0.00 C ATOM 1011 C GLY A 72 70.557 7.356 -3.232 1.00 0.00 C ATOM 1012 O GLY A 72 71.140 8.121 -3.998 1.00 0.00 O ATOM 0 H GLY A 72 69.678 4.764 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 72 69.141 6.744 -4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 72 68.425 7.452 -3.273 1.00 0.00 H new ATOM 1016 N ASP A 73 71.076 7.003 -2.061 1.00 0.00 N ATOM 1017 CA ASP A 73 72.298 7.626 -1.582 1.00 0.00 C ATOM 1018 C ASP A 73 73.099 6.701 -0.681 1.00 0.00 C ATOM 1019 O ASP A 73 72.774 6.478 0.484 1.00 0.00 O ATOM 1020 CB ASP A 73 72.014 8.965 -0.880 1.00 0.00 C ATOM 1021 CG ASP A 73 70.987 8.866 0.232 1.00 0.00 C ATOM 1022 OD1 ASP A 73 69.778 8.851 -0.074 1.00 0.00 O ATOM 1023 OD2 ASP A 73 71.385 8.814 1.414 1.00 0.00 O ATOM 0 H ASP A 73 70.676 6.301 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 73 72.908 7.830 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 73 72.945 9.354 -0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 73 71.667 9.686 -1.620 1.00 0.00 H new ATOM 1028 N ASN A 74 74.103 6.096 -1.295 1.00 0.00 N ATOM 1029 CA ASN A 74 75.230 5.464 -0.588 1.00 0.00 C ATOM 1030 C ASN A 74 74.837 4.200 0.166 1.00 0.00 C ATOM 1031 O ASN A 74 75.641 3.639 0.906 1.00 0.00 O ATOM 1032 CB ASN A 74 75.881 6.444 0.398 1.00 0.00 C ATOM 1033 CG ASN A 74 76.439 7.685 -0.271 1.00 0.00 C ATOM 1034 OD1 ASN A 74 77.576 7.694 -0.739 1.00 0.00 O ATOM 1035 ND2 ASN A 74 75.654 8.755 -0.295 1.00 0.00 N ATOM 0 H ASN A 74 74.169 6.023 -2.310 1.00 0.00 H new ATOM 0 HA ASN A 74 75.939 5.182 -1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.144 6.742 1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.684 5.934 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 74 75.988 9.624 -0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 74 74.716 8.709 0.104 1.00 0.00 H new ATOM 1042 N SER A 75 73.616 3.753 -0.014 1.00 0.00 N ATOM 1043 CA SER A 75 73.151 2.562 0.669 1.00 0.00 C ATOM 1044 C SER A 75 73.415 1.326 -0.164 1.00 0.00 C ATOM 1045 O SER A 75 74.332 0.551 0.091 1.00 0.00 O ATOM 1046 CB SER A 75 71.656 2.686 0.963 1.00 0.00 C ATOM 1047 OG SER A 75 71.391 3.799 1.807 1.00 0.00 O ATOM 0 H SER A 75 72.927 4.192 -0.625 1.00 0.00 H new ATOM 0 HA SER A 75 73.697 2.464 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 75 71.106 2.796 0.028 1.00 0.00 H new ATOM 0 HB3 SER A 75 71.299 1.772 1.438 1.00 0.00 H new ATOM 0 HG SER A 75 70.529 4.196 1.564 1.00 0.00 H new ATOM 1053 N ASP A 76 72.584 1.196 -1.152 1.00 0.00 N ATOM 1054 CA ASP A 76 72.614 0.127 -2.121 1.00 0.00 C ATOM 1055 C ASP A 76 73.766 0.315 -3.101 1.00 0.00 C ATOM 1056 O ASP A 76 74.690 -0.498 -3.171 1.00 0.00 O ATOM 1057 CB ASP A 76 71.284 0.177 -2.862 1.00 0.00 C ATOM 1058 CG ASP A 76 70.904 1.607 -3.222 1.00 0.00 C ATOM 1059 OD1 ASP A 76 70.661 2.423 -2.296 1.00 0.00 O ATOM 1060 OD2 ASP A 76 70.893 1.945 -4.410 1.00 0.00 O ATOM 0 H ASP A 76 71.828 1.860 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 76 72.762 -0.835 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 76 71.348 -0.424 -3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.503 -0.264 -2.242 1.00 0.00 H new ATOM 1065 N GLU A 77 73.710 1.433 -3.809 1.00 0.00 N ATOM 1066 CA GLU A 77 74.645 1.758 -4.879 1.00 0.00 C ATOM 1067 C GLU A 77 74.183 3.028 -5.584 1.00 0.00 C ATOM 1068 O GLU A 77 75.000 3.834 -6.034 1.00 0.00 O ATOM 1069 CB GLU A 77 74.781 0.617 -5.912 1.00 0.00 C ATOM 1070 CG GLU A 77 73.548 0.398 -6.780 1.00 0.00 C ATOM 1071 CD GLU A 77 72.837 -0.909 -6.486 1.00 0.00 C ATOM 1072 OE1 GLU A 77 72.044 -0.958 -5.537 1.00 0.00 O ATOM 1073 OE2 GLU A 77 73.072 -1.897 -7.209 1.00 0.00 O ATOM 0 H GLU A 77 73.003 2.152 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 77 75.625 1.905 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 77 75.632 0.830 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 77 75.006 -0.309 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 77 72.853 1.224 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.842 0.417 -7.829 1.00 0.00 H new ATOM 1080 N ALA A 78 72.859 3.194 -5.629 1.00 0.00 N ATOM 1081 CA ALA A 78 72.199 4.297 -6.332 1.00 0.00 C ATOM 1082 C ALA A 78 72.521 4.272 -7.824 1.00 0.00 C ATOM 1083 O ALA A 78 73.485 4.896 -8.276 1.00 0.00 O ATOM 1084 CB ALA A 78 72.573 5.639 -5.719 1.00 0.00 C ATOM 0 H ALA A 78 72.206 2.557 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 78 71.123 4.164 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 78 72.069 6.439 -6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 78 72.267 5.659 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 78 73.652 5.781 -5.784 1.00 0.00 H new