USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 14 LYS NZ :NH3+ -116:sc= 1.04 (180deg=-0.103) USER MOD Set 1.2: A 82 THR OG1 : rot -82:sc= 1.24 USER MOD Set 2.1: A 72 HIS : no HD1:sc= -0.386 X(o=-0.4,f=-0.6) USER MOD Set 2.2: A 101 33B O62 : rot 165:sc= -0.0132 USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0.317 USER MOD Set 3.2: A 30 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.184 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -160:sc= -0.0245 (180deg=-0.515) USER MOD Single : A 15 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 17 ASN : amide:sc=-0.00825 K(o=-0.0083,f=-1.5) USER MOD Single : A 18 SER OG : rot 85:sc= 0.0239 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 28 ASN : amide:sc= -0.0537 K(o=-0.054,f=-0.64) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.05) USER MOD Single : A 44 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 49 SER OG : rot 79:sc= 0.372 USER MOD Single : A 54 HIS : no HE2:sc= 0.694 K(o=0.69,f=-5.3!) USER MOD Single : A 55 LYS NZ :NH3+ -128:sc= 1.12 (180deg=0.655) USER MOD Single : A 63 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.74) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00529 USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= 1.01 (180deg=0.694) USER MOD Single : A 74 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.2) USER MOD Single : A 78 THR OG1 : rot 75:sc= 1.04 USER MOD Single : A 81 ASN : amide:sc= 1.21 K(o=1.2,f=-0.04) USER MOD Single : A 84 GLN : amide:sc= -2.22! C(o=-2.2!,f=-3!) USER MOD Single : A 87 HIS : no HE2:sc= 0.777 K(o=0.78,f=-3.1!) USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 0.829 (180deg=0.805) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 113:sc= 0.555 USER MOD Single : A 97 THR OG1 : rot 43:sc= 0.272 USER MOD Single : A 101 33B O72 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.785 -0.641 -13.757 1.00 62.04 N ATOM 2 CA GLY A 1 -13.649 -0.533 -12.836 1.00 20.24 C ATOM 3 C GLY A 1 -12.778 -1.727 -13.011 1.00 74.31 C ATOM 4 O GLY A 1 -13.146 -2.692 -13.696 1.00 22.02 O ATOM 0 H1 GLY A 1 -14.737 0.125 -14.459 1.00 62.04 H new ATOM 0 H2 GLY A 1 -14.751 -1.559 -14.244 1.00 62.04 H new ATOM 0 H3 GLY A 1 -15.674 -0.565 -13.222 1.00 62.04 H new ATOM 0 HA2 GLY A 1 -13.086 0.378 -13.036 1.00 20.24 H new ATOM 0 HA3 GLY A 1 -14.002 -0.470 -11.807 1.00 20.24 H new ATOM 10 N PRO A 2 -11.595 -1.683 -12.376 1.00 22.41 N ATOM 11 CA PRO A 2 -10.602 -2.744 -12.475 1.00 65.24 C ATOM 12 C PRO A 2 -11.182 -4.013 -11.899 1.00 3.43 C ATOM 13 O PRO A 2 -11.873 -3.958 -10.861 1.00 1.21 O ATOM 14 CB PRO A 2 -9.393 -2.231 -11.658 1.00 53.42 C ATOM 15 CG PRO A 2 -9.984 -1.160 -10.717 1.00 64.14 C ATOM 16 CD PRO A 2 -11.155 -0.578 -11.524 1.00 10.22 C ATOM 0 HA PRO A 2 -10.304 -2.974 -13.498 1.00 65.24 H new ATOM 0 HB2 PRO A 2 -8.924 -3.038 -11.095 1.00 53.42 H new ATOM 0 HB3 PRO A 2 -8.626 -1.808 -12.308 1.00 53.42 H new ATOM 0 HG2 PRO A 2 -10.322 -1.595 -9.776 1.00 64.14 H new ATOM 0 HG3 PRO A 2 -9.249 -0.395 -10.468 1.00 64.14 H new ATOM 0 HD2 PRO A 2 -11.957 -0.237 -10.870 1.00 10.22 H new ATOM 0 HD3 PRO A 2 -10.841 0.281 -12.118 1.00 10.22 H new ATOM 24 N LYS A 3 -10.933 -5.141 -12.580 1.00 33.40 N ATOM 25 CA LYS A 3 -11.492 -6.418 -12.218 1.00 25.24 C ATOM 26 C LYS A 3 -10.625 -6.959 -11.110 1.00 31.22 C ATOM 27 O LYS A 3 -9.527 -6.468 -10.879 1.00 53.24 O ATOM 28 CB LYS A 3 -11.436 -7.400 -13.415 1.00 4.32 C ATOM 29 CG LYS A 3 -12.405 -7.005 -14.533 1.00 51.41 C ATOM 30 CD LYS A 3 -12.007 -7.462 -15.945 1.00 53.04 C ATOM 31 CE LYS A 3 -12.029 -8.988 -16.211 1.00 71.21 C ATOM 32 NZ LYS A 3 -10.867 -9.669 -15.605 1.00 74.22 N ATOM 0 H LYS A 3 -10.330 -5.175 -13.402 1.00 33.40 H new ATOM 0 HA LYS A 3 -12.534 -6.307 -11.917 1.00 25.24 H new ATOM 0 HB2 LYS A 3 -10.421 -7.431 -13.810 1.00 4.32 H new ATOM 0 HB3 LYS A 3 -11.674 -8.406 -13.069 1.00 4.32 H new ATOM 0 HG2 LYS A 3 -13.388 -7.416 -14.300 1.00 51.41 H new ATOM 0 HG3 LYS A 3 -12.506 -5.920 -14.536 1.00 51.41 H new ATOM 0 HD2 LYS A 3 -12.675 -6.982 -16.660 1.00 53.04 H new ATOM 0 HD3 LYS A 3 -11.002 -7.094 -16.152 1.00 53.04 H new ATOM 0 HE2 LYS A 3 -12.949 -9.413 -15.810 1.00 71.21 H new ATOM 0 HE3 LYS A 3 -12.036 -9.169 -17.286 1.00 71.21 H new ATOM 0 HZ1 LYS A 3 -10.724 -10.590 -16.067 1.00 74.22 H new ATOM 0 HZ2 LYS A 3 -10.017 -9.083 -15.730 1.00 74.22 H new ATOM 0 HZ3 LYS A 3 -11.040 -9.814 -14.590 1.00 74.22 H new ATOM 46 N PRO A 4 -11.113 -7.993 -10.404 1.00 11.51 N ATOM 47 CA PRO A 4 -10.328 -8.707 -9.411 1.00 11.53 C ATOM 48 C PRO A 4 -9.096 -9.276 -10.081 1.00 23.21 C ATOM 49 O PRO A 4 -9.228 -10.192 -10.892 1.00 65.22 O ATOM 50 CB PRO A 4 -11.266 -9.817 -8.889 1.00 41.20 C ATOM 51 CG PRO A 4 -12.370 -9.941 -9.955 1.00 75.15 C ATOM 52 CD PRO A 4 -12.477 -8.524 -10.515 1.00 2.10 C ATOM 0 HA PRO A 4 -9.981 -8.079 -8.591 1.00 11.53 H new ATOM 0 HB2 PRO A 4 -10.731 -10.759 -8.763 1.00 41.20 H new ATOM 0 HB3 PRO A 4 -11.684 -9.556 -7.917 1.00 41.20 H new ATOM 0 HG2 PRO A 4 -12.103 -10.661 -10.729 1.00 75.15 H new ATOM 0 HG3 PRO A 4 -13.313 -10.275 -9.521 1.00 75.15 H new ATOM 0 HD2 PRO A 4 -12.820 -8.529 -11.550 1.00 2.10 H new ATOM 0 HD3 PRO A 4 -13.187 -7.923 -9.946 1.00 2.10 H new ATOM 60 N GLY A 5 -7.906 -8.761 -9.740 1.00 32.33 N ATOM 61 CA GLY A 5 -6.697 -9.274 -10.332 1.00 54.22 C ATOM 62 C GLY A 5 -6.204 -8.325 -11.368 1.00 24.20 C ATOM 63 O GLY A 5 -5.322 -8.677 -12.147 1.00 70.21 O ATOM 0 H GLY A 5 -7.772 -8.005 -9.069 1.00 32.33 H new ATOM 0 HA2 GLY A 5 -5.937 -9.416 -9.564 1.00 54.22 H new ATOM 0 HA3 GLY A 5 -6.885 -10.250 -10.779 1.00 54.22 H new ATOM 67 N ASP A 6 -6.740 -7.089 -11.416 1.00 63.22 N ATOM 68 CA ASP A 6 -6.213 -6.110 -12.360 1.00 22.12 C ATOM 69 C ASP A 6 -5.200 -5.347 -11.615 1.00 14.33 C ATOM 70 O ASP A 6 -5.395 -5.014 -10.448 1.00 71.53 O ATOM 71 CB ASP A 6 -7.231 -5.078 -12.930 1.00 34.41 C ATOM 72 CG ASP A 6 -7.670 -5.540 -14.298 1.00 23.33 C ATOM 73 OD1 ASP A 6 -6.789 -5.733 -15.175 1.00 31.52 O ATOM 74 OD2 ASP A 6 -8.886 -5.694 -14.526 1.00 14.32 O ATOM 0 H ASP A 6 -7.509 -6.762 -10.831 1.00 63.22 H new ATOM 0 HA ASP A 6 -5.855 -6.670 -13.224 1.00 22.12 H new ATOM 0 HB2 ASP A 6 -8.091 -4.989 -12.267 1.00 34.41 H new ATOM 0 HB3 ASP A 6 -6.774 -4.091 -12.993 1.00 34.41 H new ATOM 79 N ILE A 7 -4.079 -5.083 -12.278 1.00 54.13 N ATOM 80 CA ILE A 7 -3.012 -4.324 -11.704 1.00 23.24 C ATOM 81 C ILE A 7 -3.244 -2.930 -12.204 1.00 41.13 C ATOM 82 O ILE A 7 -3.652 -2.730 -13.357 1.00 15.23 O ATOM 83 CB ILE A 7 -1.599 -4.824 -12.126 1.00 21.03 C ATOM 84 CG1 ILE A 7 -1.262 -6.205 -11.486 1.00 75.32 C ATOM 85 CG2 ILE A 7 -0.535 -3.768 -11.751 1.00 52.10 C ATOM 86 CD1 ILE A 7 -2.078 -7.377 -12.017 1.00 50.14 C ATOM 0 H ILE A 7 -3.900 -5.398 -13.231 1.00 54.13 H new ATOM 0 HA ILE A 7 -3.019 -4.408 -10.617 1.00 23.24 H new ATOM 0 HB ILE A 7 -1.596 -4.963 -13.207 1.00 21.03 H new ATOM 0 HG12 ILE A 7 -0.205 -6.415 -11.648 1.00 75.32 H new ATOM 0 HG13 ILE A 7 -1.412 -6.136 -10.409 1.00 75.32 H new ATOM 0 HG21 ILE A 7 0.451 -4.124 -12.049 1.00 52.10 H new ATOM 0 HG22 ILE A 7 -0.754 -2.832 -12.265 1.00 52.10 H new ATOM 0 HG23 ILE A 7 -0.551 -3.602 -10.674 1.00 52.10 H new ATOM 0 HD11 ILE A 7 -1.771 -8.293 -11.511 1.00 50.14 H new ATOM 0 HD12 ILE A 7 -3.137 -7.197 -11.831 1.00 50.14 H new ATOM 0 HD13 ILE A 7 -1.911 -7.481 -13.089 1.00 50.14 H new ATOM 98 N PHE A 8 -3.036 -1.942 -11.346 1.00 31.13 N ATOM 99 CA PHE A 8 -3.215 -0.582 -11.734 1.00 3.34 C ATOM 100 C PHE A 8 -2.305 0.194 -10.869 1.00 63.22 C ATOM 101 O PHE A 8 -1.879 -0.292 -9.816 1.00 22.25 O ATOM 102 CB PHE A 8 -4.678 -0.033 -11.569 1.00 32.22 C ATOM 103 CG PHE A 8 -5.236 -0.414 -10.214 1.00 72.33 C ATOM 104 CD1 PHE A 8 -5.823 -1.691 -10.006 1.00 32.24 C ATOM 105 CD2 PHE A 8 -5.202 0.506 -9.134 1.00 25.41 C ATOM 106 CE1 PHE A 8 -6.364 -2.029 -8.754 1.00 71.34 C ATOM 107 CE2 PHE A 8 -5.742 0.152 -7.879 1.00 30.52 C ATOM 108 CZ PHE A 8 -6.326 -1.112 -7.691 1.00 23.31 C ATOM 0 H PHE A 8 -2.743 -2.074 -10.378 1.00 31.13 H new ATOM 0 HA PHE A 8 -3.006 -0.495 -12.800 1.00 3.34 H new ATOM 0 HB2 PHE A 8 -4.681 1.051 -11.678 1.00 32.22 H new ATOM 0 HB3 PHE A 8 -5.315 -0.434 -12.357 1.00 32.22 H new ATOM 0 HD1 PHE A 8 -5.854 -2.406 -10.815 1.00 32.24 H new ATOM 0 HD2 PHE A 8 -4.761 1.482 -9.273 1.00 25.41 H new ATOM 0 HE1 PHE A 8 -6.812 -3.001 -8.608 1.00 71.34 H new ATOM 0 HE2 PHE A 8 -5.706 0.855 -7.060 1.00 30.52 H new ATOM 0 HZ PHE A 8 -6.745 -1.378 -6.732 1.00 23.31 H new ATOM 118 N GLU A 9 -1.964 1.422 -11.289 1.00 15.21 N ATOM 119 CA GLU A 9 -1.095 2.231 -10.500 1.00 33.44 C ATOM 120 C GLU A 9 -1.976 3.202 -9.824 1.00 42.35 C ATOM 121 O GLU A 9 -2.963 3.663 -10.398 1.00 14.23 O ATOM 122 CB GLU A 9 -0.114 3.090 -11.322 1.00 23.04 C ATOM 123 CG GLU A 9 0.792 2.302 -12.251 1.00 11.21 C ATOM 124 CD GLU A 9 1.711 3.297 -12.904 1.00 34.24 C ATOM 125 OE1 GLU A 9 1.213 4.188 -13.632 1.00 73.10 O ATOM 126 OE2 GLU A 9 2.931 3.211 -12.673 1.00 5.10 O ATOM 0 H GLU A 9 -2.283 1.849 -12.159 1.00 15.21 H new ATOM 0 HA GLU A 9 -0.513 1.570 -9.858 1.00 33.44 H new ATOM 0 HB2 GLU A 9 -0.686 3.805 -11.914 1.00 23.04 H new ATOM 0 HB3 GLU A 9 0.505 3.668 -10.636 1.00 23.04 H new ATOM 0 HG2 GLU A 9 1.361 1.556 -11.696 1.00 11.21 H new ATOM 0 HG3 GLU A 9 0.208 1.766 -12.999 1.00 11.21 H new ATOM 133 N VAL A 10 -1.620 3.562 -8.616 1.00 34.43 N ATOM 134 CA VAL A 10 -2.289 4.602 -7.928 1.00 3.10 C ATOM 135 C VAL A 10 -1.242 5.625 -7.751 1.00 25.24 C ATOM 136 O VAL A 10 -0.171 5.341 -7.214 1.00 14.12 O ATOM 137 CB VAL A 10 -2.827 4.197 -6.571 1.00 32.54 C ATOM 138 CG1 VAL A 10 -3.606 5.391 -5.962 1.00 3.44 C ATOM 139 CG2 VAL A 10 -3.705 2.951 -6.785 1.00 44.22 C ATOM 0 H VAL A 10 -0.856 3.133 -8.094 1.00 34.43 H new ATOM 0 HA VAL A 10 -3.165 4.928 -8.489 1.00 3.10 H new ATOM 0 HB VAL A 10 -2.036 3.946 -5.864 1.00 32.54 H new ATOM 0 HG11 VAL A 10 -3.998 5.109 -4.985 1.00 3.44 H new ATOM 0 HG12 VAL A 10 -2.937 6.244 -5.853 1.00 3.44 H new ATOM 0 HG13 VAL A 10 -4.432 5.660 -6.620 1.00 3.44 H new ATOM 0 HG21 VAL A 10 -4.114 2.625 -5.828 1.00 44.22 H new ATOM 0 HG22 VAL A 10 -4.522 3.194 -7.465 1.00 44.22 H new ATOM 0 HG23 VAL A 10 -3.102 2.150 -7.213 1.00 44.22 H new ATOM 149 N GLU A 11 -1.495 6.826 -8.248 1.00 63.22 N ATOM 150 CA GLU A 11 -0.572 7.883 -8.081 1.00 23.33 C ATOM 151 C GLU A 11 -1.113 8.663 -6.958 1.00 43.51 C ATOM 152 O GLU A 11 -2.189 9.249 -7.058 1.00 24.30 O ATOM 153 CB GLU A 11 -0.447 8.772 -9.325 1.00 35.32 C ATOM 154 CG GLU A 11 0.104 7.978 -10.523 1.00 13.32 C ATOM 155 CD GLU A 11 -0.002 8.806 -11.778 1.00 42.10 C ATOM 156 OE1 GLU A 11 -0.298 10.018 -11.687 1.00 31.05 O ATOM 157 OE2 GLU A 11 0.198 8.235 -12.870 1.00 53.12 O ATOM 0 H GLU A 11 -2.338 7.070 -8.767 1.00 63.22 H new ATOM 0 HA GLU A 11 0.432 7.496 -7.904 1.00 23.33 H new ATOM 0 HB2 GLU A 11 -1.423 9.187 -9.578 1.00 35.32 H new ATOM 0 HB3 GLU A 11 0.211 9.614 -9.109 1.00 35.32 H new ATOM 0 HG2 GLU A 11 1.144 7.706 -10.343 1.00 13.32 H new ATOM 0 HG3 GLU A 11 -0.453 7.048 -10.642 1.00 13.32 H new ATOM 164 N LEU A 12 -0.429 8.592 -5.826 1.00 53.15 N ATOM 165 CA LEU A 12 -0.937 9.153 -4.633 1.00 74.10 C ATOM 166 C LEU A 12 -0.190 10.405 -4.440 1.00 5.14 C ATOM 167 O LEU A 12 1.048 10.392 -4.377 1.00 22.24 O ATOM 168 CB LEU A 12 -0.694 8.244 -3.400 1.00 65.50 C ATOM 169 CG LEU A 12 -1.871 8.201 -2.409 1.00 2.24 C ATOM 170 CD1 LEU A 12 -2.208 9.570 -1.816 1.00 30.04 C ATOM 171 CD2 LEU A 12 -3.106 7.501 -3.003 1.00 42.20 C ATOM 0 H LEU A 12 0.482 8.144 -5.732 1.00 53.15 H new ATOM 0 HA LEU A 12 -2.015 9.292 -4.719 1.00 74.10 H new ATOM 0 HB2 LEU A 12 -0.486 7.231 -3.744 1.00 65.50 H new ATOM 0 HB3 LEU A 12 0.196 8.592 -2.876 1.00 65.50 H new ATOM 0 HG LEU A 12 -1.534 7.590 -1.571 1.00 2.24 H new ATOM 0 HD11 LEU A 12 -3.046 9.471 -1.126 1.00 30.04 H new ATOM 0 HD12 LEU A 12 -1.341 9.958 -1.281 1.00 30.04 H new ATOM 0 HD13 LEU A 12 -2.477 10.257 -2.618 1.00 30.04 H new ATOM 0 HD21 LEU A 12 -3.910 7.495 -2.267 1.00 42.20 H new ATOM 0 HD22 LEU A 12 -3.434 8.036 -3.894 1.00 42.20 H new ATOM 0 HD23 LEU A 12 -2.850 6.475 -3.269 1.00 42.20 H new ATOM 183 N ALA A 13 -0.911 11.523 -4.373 1.00 60.45 N ATOM 184 CA ALA A 13 -0.277 12.779 -4.142 1.00 20.33 C ATOM 185 C ALA A 13 -0.228 12.949 -2.672 1.00 14.21 C ATOM 186 O ALA A 13 -1.219 12.721 -1.970 1.00 52.22 O ATOM 187 CB ALA A 13 -1.042 13.981 -4.719 1.00 54.45 C ATOM 0 H ALA A 13 -1.925 11.565 -4.477 1.00 60.45 H new ATOM 0 HA ALA A 13 0.697 12.762 -4.630 1.00 20.33 H new ATOM 0 HB1 ALA A 13 -0.495 14.899 -4.502 1.00 54.45 H new ATOM 0 HB2 ALA A 13 -1.142 13.865 -5.798 1.00 54.45 H new ATOM 0 HB3 ALA A 13 -2.032 14.033 -4.267 1.00 54.45 H new ATOM 193 N LYS A 14 0.934 13.364 -2.166 1.00 73.32 N ATOM 194 CA LYS A 14 1.146 13.607 -0.757 1.00 33.43 C ATOM 195 C LYS A 14 0.587 14.977 -0.420 1.00 14.02 C ATOM 196 O LYS A 14 1.169 15.697 0.379 1.00 41.43 O ATOM 197 CB LYS A 14 2.639 13.618 -0.364 1.00 33.10 C ATOM 198 CG LYS A 14 2.881 13.216 1.105 1.00 72.04 C ATOM 199 CD LYS A 14 2.923 11.709 1.341 1.00 5.01 C ATOM 200 CE LYS A 14 3.987 10.964 0.498 1.00 22.31 C ATOM 201 NZ LYS A 14 5.343 11.530 0.699 1.00 24.01 N ATOM 0 H LYS A 14 1.759 13.540 -2.739 1.00 73.32 H new ATOM 0 HA LYS A 14 0.654 12.800 -0.215 1.00 33.43 H new ATOM 0 HB2 LYS A 14 3.185 12.936 -1.016 1.00 33.10 H new ATOM 0 HB3 LYS A 14 3.046 14.615 -0.533 1.00 33.10 H new ATOM 0 HG2 LYS A 14 3.823 13.651 1.439 1.00 72.04 H new ATOM 0 HG3 LYS A 14 2.094 13.648 1.723 1.00 72.04 H new ATOM 0 HD2 LYS A 14 3.117 11.523 2.397 1.00 5.01 H new ATOM 0 HD3 LYS A 14 1.941 11.290 1.119 1.00 5.01 H new ATOM 0 HE2 LYS A 14 3.990 9.908 0.768 1.00 22.31 H new ATOM 0 HE3 LYS A 14 3.721 11.023 -0.557 1.00 22.31 H new ATOM 0 HZ1 LYS A 14 5.686 11.935 -0.195 1.00 24.01 H new ATOM 0 HZ2 LYS A 14 5.304 12.275 1.424 1.00 24.01 H new ATOM 0 HZ3 LYS A 14 5.991 10.778 1.009 1.00 24.01 H new ATOM 215 N ASN A 15 -0.514 15.394 -1.096 1.00 32.03 N ATOM 216 CA ASN A 15 -1.056 16.763 -1.002 1.00 51.13 C ATOM 217 C ASN A 15 -1.287 17.106 0.442 1.00 31.51 C ATOM 218 O ASN A 15 -1.105 18.246 0.849 1.00 22.30 O ATOM 219 CB ASN A 15 -2.399 16.953 -1.763 1.00 10.34 C ATOM 220 CG ASN A 15 -2.805 18.438 -1.716 1.00 31.23 C ATOM 221 OD1 ASN A 15 -3.860 18.782 -1.180 1.00 62.21 O ATOM 222 ND2 ASN A 15 -1.967 19.326 -2.276 1.00 0.43 N ATOM 0 H ASN A 15 -1.046 14.787 -1.719 1.00 32.03 H new ATOM 0 HA ASN A 15 -0.318 17.418 -1.465 1.00 51.13 H new ATOM 0 HB2 ASN A 15 -2.294 16.625 -2.797 1.00 10.34 H new ATOM 0 HB3 ASN A 15 -3.177 16.337 -1.311 1.00 10.34 H new ATOM 0 HD21 ASN A 15 -2.196 20.320 -2.266 1.00 0.43 H new ATOM 0 HD22 ASN A 15 -1.102 19.006 -2.711 1.00 0.43 H new ATOM 229 N ASP A 16 -1.660 16.092 1.254 1.00 22.32 N ATOM 230 CA ASP A 16 -1.740 16.265 2.688 1.00 1.13 C ATOM 231 C ASP A 16 -0.323 16.518 3.190 1.00 53.44 C ATOM 232 O ASP A 16 0.123 17.663 3.247 1.00 1.53 O ATOM 233 CB ASP A 16 -2.336 15.029 3.434 1.00 35.21 C ATOM 234 CG ASP A 16 -2.475 15.371 4.907 1.00 4.42 C ATOM 235 OD1 ASP A 16 -3.275 16.276 5.234 1.00 0.01 O ATOM 236 OD2 ASP A 16 -1.785 14.728 5.742 1.00 3.24 O ATOM 0 H ASP A 16 -1.905 15.158 0.926 1.00 22.32 H new ATOM 0 HA ASP A 16 -2.414 17.097 2.894 1.00 1.13 H new ATOM 0 HB2 ASP A 16 -3.307 14.766 3.014 1.00 35.21 H new ATOM 0 HB3 ASP A 16 -1.688 14.162 3.307 1.00 35.21 H new ATOM 241 N ASN A 17 0.403 15.438 3.533 1.00 61.42 N ATOM 242 CA ASN A 17 1.787 15.527 4.025 1.00 33.35 C ATOM 243 C ASN A 17 2.048 14.182 4.606 1.00 22.34 C ATOM 244 O ASN A 17 3.158 13.654 4.572 1.00 64.54 O ATOM 245 CB ASN A 17 2.009 16.558 5.180 1.00 51.25 C ATOM 246 CG ASN A 17 3.502 16.643 5.512 1.00 42.20 C ATOM 247 OD1 ASN A 17 4.361 16.251 4.717 1.00 33.44 O ATOM 248 ND2 ASN A 17 3.822 17.172 6.695 1.00 12.15 N ATOM 0 H ASN A 17 0.047 14.484 3.477 1.00 61.42 H new ATOM 0 HA ASN A 17 2.431 15.842 3.204 1.00 33.35 H new ATOM 0 HB2 ASN A 17 1.636 17.538 4.883 1.00 51.25 H new ATOM 0 HB3 ASN A 17 1.446 16.257 6.063 1.00 51.25 H new ATOM 0 HD21 ASN A 17 4.801 17.262 6.965 1.00 12.15 H new ATOM 0 HD22 ASN A 17 3.087 17.486 7.329 1.00 12.15 H new ATOM 255 N SER A 18 0.981 13.603 5.148 1.00 75.41 N ATOM 256 CA SER A 18 1.051 12.320 5.752 1.00 13.43 C ATOM 257 C SER A 18 0.649 11.359 4.686 1.00 32.52 C ATOM 258 O SER A 18 -0.155 11.709 3.818 1.00 44.33 O ATOM 259 CB SER A 18 0.044 12.177 6.906 1.00 64.15 C ATOM 260 OG SER A 18 0.159 13.300 7.790 1.00 21.13 O ATOM 0 H SER A 18 0.054 14.028 5.170 1.00 75.41 H new ATOM 0 HA SER A 18 2.050 12.150 6.153 1.00 13.43 H new ATOM 0 HB2 SER A 18 -0.970 12.115 6.511 1.00 64.15 H new ATOM 0 HB3 SER A 18 0.230 11.252 7.452 1.00 64.15 H new ATOM 0 HG SER A 18 -0.389 14.039 7.453 1.00 21.13 H new ATOM 266 N LEU A 19 1.191 10.116 4.711 1.00 21.05 N ATOM 267 CA LEU A 19 0.649 9.078 3.845 1.00 41.01 C ATOM 268 C LEU A 19 -0.668 8.719 4.475 1.00 4.20 C ATOM 269 O LEU A 19 -1.737 8.839 3.877 1.00 71.40 O ATOM 270 CB LEU A 19 1.504 7.767 3.811 1.00 50.32 C ATOM 271 CG LEU A 19 2.764 7.819 2.929 1.00 23.32 C ATOM 272 CD1 LEU A 19 2.434 7.914 1.423 1.00 14.44 C ATOM 273 CD2 LEU A 19 3.808 8.845 3.400 1.00 33.13 C ATOM 0 H LEU A 19 1.972 9.830 5.302 1.00 21.05 H new ATOM 0 HA LEU A 19 0.605 9.453 2.822 1.00 41.01 H new ATOM 0 HB2 LEU A 19 1.805 7.524 4.830 1.00 50.32 H new ATOM 0 HB3 LEU A 19 0.871 6.951 3.462 1.00 50.32 H new ATOM 0 HG LEU A 19 3.254 6.855 3.062 1.00 23.32 H new ATOM 0 HD11 LEU A 19 3.360 7.948 0.849 1.00 14.44 H new ATOM 0 HD12 LEU A 19 1.852 7.043 1.122 1.00 14.44 H new ATOM 0 HD13 LEU A 19 1.857 8.819 1.233 1.00 14.44 H new ATOM 0 HD21 LEU A 19 4.667 8.824 2.730 1.00 33.13 H new ATOM 0 HD22 LEU A 19 3.367 9.842 3.394 1.00 33.13 H new ATOM 0 HD23 LEU A 19 4.131 8.598 4.411 1.00 33.13 H new ATOM 285 N GLY A 20 -0.581 8.316 5.745 1.00 52.33 N ATOM 286 CA GLY A 20 -1.737 8.032 6.539 1.00 34.41 C ATOM 287 C GLY A 20 -2.078 6.608 6.313 1.00 32.32 C ATOM 288 O GLY A 20 -3.249 6.243 6.278 1.00 1.14 O ATOM 0 H GLY A 20 0.303 8.183 6.235 1.00 52.33 H new ATOM 0 HA2 GLY A 20 -1.535 8.218 7.594 1.00 34.41 H new ATOM 0 HA3 GLY A 20 -2.568 8.677 6.255 1.00 34.41 H new ATOM 292 N ILE A 21 -1.050 5.766 6.119 1.00 22.23 N ATOM 293 CA ILE A 21 -1.264 4.385 5.805 1.00 0.45 C ATOM 294 C ILE A 21 -0.374 3.627 6.757 1.00 22.23 C ATOM 295 O ILE A 21 0.610 4.175 7.254 1.00 71.44 O ATOM 296 CB ILE A 21 -0.825 4.053 4.347 1.00 23.31 C ATOM 297 CG1 ILE A 21 -1.357 5.118 3.363 1.00 55.14 C ATOM 298 CG2 ILE A 21 -1.290 2.626 3.959 1.00 70.21 C ATOM 299 CD1 ILE A 21 -0.885 4.907 1.915 1.00 33.12 C ATOM 0 H ILE A 21 -0.069 6.039 6.179 1.00 22.23 H new ATOM 0 HA ILE A 21 -2.320 4.128 5.893 1.00 0.45 H new ATOM 0 HB ILE A 21 0.263 4.074 4.290 1.00 23.31 H new ATOM 0 HG12 ILE A 21 -2.447 5.110 3.386 1.00 55.14 H new ATOM 0 HG13 ILE A 21 -1.038 6.104 3.700 1.00 55.14 H new ATOM 0 HG21 ILE A 21 -0.977 2.406 2.938 1.00 70.21 H new ATOM 0 HG22 ILE A 21 -0.844 1.900 4.639 1.00 70.21 H new ATOM 0 HG23 ILE A 21 -2.376 2.566 4.026 1.00 70.21 H new ATOM 0 HD11 ILE A 21 -1.297 5.691 1.280 1.00 33.12 H new ATOM 0 HD12 ILE A 21 0.204 4.945 1.878 1.00 33.12 H new ATOM 0 HD13 ILE A 21 -1.227 3.935 1.559 1.00 33.12 H new ATOM 311 N CYS A 22 -0.670 2.337 6.968 1.00 10.14 N ATOM 312 CA CYS A 22 0.297 1.444 7.560 1.00 71.12 C ATOM 313 C CYS A 22 0.004 0.161 6.887 1.00 10.43 C ATOM 314 O CYS A 22 -1.016 0.031 6.191 1.00 15.20 O ATOM 315 CB CYS A 22 0.111 1.180 9.084 1.00 35.42 C ATOM 316 SG CYS A 22 0.346 2.657 10.117 1.00 20.53 S ATOM 0 H CYS A 22 -1.565 1.906 6.736 1.00 10.14 H new ATOM 0 HA CYS A 22 1.295 1.867 7.446 1.00 71.12 H new ATOM 0 HB2 CYS A 22 -0.890 0.783 9.255 1.00 35.42 H new ATOM 0 HB3 CYS A 22 0.817 0.411 9.399 1.00 35.42 H new ATOM 321 N VAL A 23 0.938 -0.772 6.954 1.00 11.20 N ATOM 322 CA VAL A 23 0.902 -1.903 6.105 1.00 22.31 C ATOM 323 C VAL A 23 1.361 -3.048 6.936 1.00 43.42 C ATOM 324 O VAL A 23 1.865 -2.862 8.056 1.00 44.21 O ATOM 325 CB VAL A 23 1.846 -1.750 4.903 1.00 61.42 C ATOM 326 CG1 VAL A 23 1.102 -0.959 3.802 1.00 71.12 C ATOM 327 CG2 VAL A 23 3.144 -1.046 5.368 1.00 65.15 C ATOM 0 H VAL A 23 1.727 -0.749 7.599 1.00 11.20 H new ATOM 0 HA VAL A 23 -0.103 -2.040 5.706 1.00 22.31 H new ATOM 0 HB VAL A 23 2.133 -2.717 4.489 1.00 61.42 H new ATOM 0 HG11 VAL A 23 1.754 -0.838 2.937 1.00 71.12 H new ATOM 0 HG12 VAL A 23 0.205 -1.503 3.507 1.00 71.12 H new ATOM 0 HG13 VAL A 23 0.822 0.022 4.185 1.00 71.12 H new ATOM 0 HG21 VAL A 23 3.820 -0.933 4.521 1.00 65.15 H new ATOM 0 HG22 VAL A 23 2.900 -0.063 5.771 1.00 65.15 H new ATOM 0 HG23 VAL A 23 3.626 -1.645 6.140 1.00 65.15 H new ATOM 337 N THR A 24 1.168 -4.245 6.414 1.00 11.21 N ATOM 338 CA THR A 24 1.604 -5.434 7.036 1.00 5.54 C ATOM 339 C THR A 24 1.931 -6.312 5.874 1.00 63.33 C ATOM 340 O THR A 24 1.592 -5.987 4.758 1.00 13.31 O ATOM 341 CB THR A 24 0.558 -6.100 7.951 1.00 53.12 C ATOM 342 OG1 THR A 24 1.088 -7.275 8.594 1.00 11.20 O ATOM 343 CG2 THR A 24 -0.716 -6.452 7.136 1.00 43.12 C ATOM 0 H THR A 24 0.691 -4.397 5.525 1.00 11.21 H new ATOM 0 HA THR A 24 2.436 -5.242 7.713 1.00 5.54 H new ATOM 0 HB THR A 24 0.294 -5.389 8.734 1.00 53.12 H new ATOM 0 HG1 THR A 24 0.400 -7.672 9.168 1.00 11.20 H new ATOM 0 HG21 THR A 24 -1.449 -6.922 7.792 1.00 43.12 H new ATOM 0 HG22 THR A 24 -1.140 -5.542 6.712 1.00 43.12 H new ATOM 0 HG23 THR A 24 -0.455 -7.140 6.332 1.00 43.12 H new ATOM 351 N GLY A 25 2.620 -7.397 6.124 1.00 21.32 N ATOM 352 CA GLY A 25 3.032 -8.292 5.077 1.00 24.15 C ATOM 353 C GLY A 25 4.468 -8.475 5.256 1.00 21.21 C ATOM 354 O GLY A 25 5.059 -7.885 6.150 1.00 51.33 O ATOM 0 H GLY A 25 2.910 -7.683 7.059 1.00 21.32 H new ATOM 0 HA2 GLY A 25 2.505 -9.243 5.145 1.00 24.15 H new ATOM 0 HA3 GLY A 25 2.810 -7.874 4.095 1.00 24.15 H new ATOM 358 N GLY A 26 5.083 -9.299 4.410 1.00 54.13 N ATOM 359 CA GLY A 26 6.499 -9.428 4.454 1.00 44.44 C ATOM 360 C GLY A 26 6.845 -10.865 4.583 1.00 22.34 C ATOM 361 O GLY A 26 6.371 -11.706 3.824 1.00 41.11 O ATOM 0 H GLY A 26 4.615 -9.869 3.705 1.00 54.13 H new ATOM 0 HA2 GLY A 26 6.944 -9.012 3.550 1.00 44.44 H new ATOM 0 HA3 GLY A 26 6.903 -8.866 5.296 1.00 44.44 H new ATOM 365 N VAL A 27 7.725 -11.157 5.556 1.00 64.05 N ATOM 366 CA VAL A 27 8.460 -12.408 5.722 1.00 33.13 C ATOM 367 C VAL A 27 7.587 -13.601 6.128 1.00 1.41 C ATOM 368 O VAL A 27 8.110 -14.556 6.696 1.00 2.44 O ATOM 369 CB VAL A 27 9.588 -12.248 6.716 1.00 21.53 C ATOM 370 CG1 VAL A 27 10.546 -11.172 6.157 1.00 43.53 C ATOM 371 CG2 VAL A 27 9.002 -11.863 8.089 1.00 54.03 C ATOM 0 H VAL A 27 7.950 -10.482 6.287 1.00 64.05 H new ATOM 0 HA VAL A 27 8.860 -12.633 4.733 1.00 33.13 H new ATOM 0 HB VAL A 27 10.146 -13.174 6.858 1.00 21.53 H new ATOM 0 HG11 VAL A 27 11.376 -11.028 6.849 1.00 43.53 H new ATOM 0 HG12 VAL A 27 10.932 -11.495 5.190 1.00 43.53 H new ATOM 0 HG13 VAL A 27 10.007 -10.232 6.037 1.00 43.53 H new ATOM 0 HG21 VAL A 27 9.811 -11.746 8.810 1.00 54.03 H new ATOM 0 HG22 VAL A 27 8.456 -10.924 8.001 1.00 54.03 H new ATOM 0 HG23 VAL A 27 8.324 -12.646 8.428 1.00 54.03 H new ATOM 381 N ASN A 28 6.257 -13.530 5.907 1.00 32.32 N ATOM 382 CA ASN A 28 5.289 -14.528 6.415 1.00 14.32 C ATOM 383 C ASN A 28 4.878 -14.085 7.769 1.00 54.24 C ATOM 384 O ASN A 28 5.136 -14.716 8.784 1.00 14.54 O ATOM 385 CB ASN A 28 5.736 -16.035 6.452 1.00 35.01 C ATOM 386 CG ASN A 28 4.522 -16.912 6.765 1.00 53.53 C ATOM 387 OD1 ASN A 28 3.464 -16.754 6.155 1.00 21.21 O ATOM 388 ND2 ASN A 28 4.665 -17.850 7.717 1.00 5.34 N ATOM 0 H ASN A 28 5.823 -12.779 5.371 1.00 32.32 H new ATOM 0 HA ASN A 28 4.478 -14.546 5.687 1.00 14.32 H new ATOM 0 HB2 ASN A 28 6.170 -16.322 5.494 1.00 35.01 H new ATOM 0 HB3 ASN A 28 6.508 -16.179 7.207 1.00 35.01 H new ATOM 0 HD21 ASN A 28 3.882 -18.459 7.954 1.00 5.34 H new ATOM 0 HD22 ASN A 28 5.556 -17.953 8.202 1.00 5.34 H new ATOM 395 N THR A 29 4.205 -12.950 7.753 1.00 65.11 N ATOM 396 CA THR A 29 3.583 -12.387 8.904 1.00 71.43 C ATOM 397 C THR A 29 2.138 -12.887 8.829 1.00 73.24 C ATOM 398 O THR A 29 1.852 -13.852 8.106 1.00 13.10 O ATOM 399 CB THR A 29 3.680 -10.851 8.972 1.00 63.54 C ATOM 400 OG1 THR A 29 3.204 -10.322 10.218 1.00 64.34 O ATOM 401 CG2 THR A 29 2.909 -10.234 7.810 1.00 71.31 C ATOM 0 H THR A 29 4.081 -12.390 6.909 1.00 65.11 H new ATOM 0 HA THR A 29 4.084 -12.697 9.821 1.00 71.43 H new ATOM 0 HB THR A 29 4.735 -10.589 8.899 1.00 63.54 H new ATOM 0 HG1 THR A 29 3.288 -9.346 10.212 1.00 64.34 H new ATOM 0 HG21 THR A 29 2.980 -9.148 7.862 1.00 71.31 H new ATOM 0 HG22 THR A 29 3.333 -10.581 6.867 1.00 71.31 H new ATOM 0 HG23 THR A 29 1.862 -10.532 7.869 1.00 71.31 H new ATOM 409 N SER A 30 1.242 -12.291 9.627 1.00 33.42 N ATOM 410 CA SER A 30 -0.141 -12.712 9.779 1.00 60.23 C ATOM 411 C SER A 30 -0.830 -12.963 8.436 1.00 10.13 C ATOM 412 O SER A 30 -1.599 -13.910 8.308 1.00 13.44 O ATOM 413 CB SER A 30 -0.960 -11.651 10.531 1.00 42.04 C ATOM 414 OG SER A 30 -0.250 -11.233 11.702 1.00 54.34 O ATOM 0 H SER A 30 1.475 -11.479 10.198 1.00 33.42 H new ATOM 0 HA SER A 30 -0.105 -13.644 10.342 1.00 60.23 H new ATOM 0 HB2 SER A 30 -1.147 -10.795 9.882 1.00 42.04 H new ATOM 0 HB3 SER A 30 -1.932 -12.058 10.809 1.00 42.04 H new ATOM 0 HG SER A 30 -0.774 -10.555 12.178 1.00 54.34 H new ATOM 420 N VAL A 31 -0.587 -12.102 7.411 1.00 64.12 N ATOM 421 CA VAL A 31 -1.320 -12.225 6.167 1.00 3.02 C ATOM 422 C VAL A 31 -0.759 -13.401 5.379 1.00 2.34 C ATOM 423 O VAL A 31 0.463 -13.602 5.294 1.00 23.31 O ATOM 424 CB VAL A 31 -1.312 -10.964 5.319 1.00 42.22 C ATOM 425 CG1 VAL A 31 -2.162 -9.904 6.053 1.00 34.01 C ATOM 426 CG2 VAL A 31 0.143 -10.504 5.088 1.00 34.41 C ATOM 0 H VAL A 31 0.094 -11.344 7.439 1.00 64.12 H new ATOM 0 HA VAL A 31 -2.365 -12.394 6.425 1.00 3.02 H new ATOM 0 HB VAL A 31 -1.744 -11.137 4.333 1.00 42.22 H new ATOM 0 HG11 VAL A 31 -2.178 -8.983 5.470 1.00 34.01 H new ATOM 0 HG12 VAL A 31 -3.180 -10.274 6.174 1.00 34.01 H new ATOM 0 HG13 VAL A 31 -1.729 -9.706 7.033 1.00 34.01 H new ATOM 0 HG21 VAL A 31 0.146 -9.600 4.480 1.00 34.41 H new ATOM 0 HG22 VAL A 31 0.616 -10.297 6.048 1.00 34.41 H new ATOM 0 HG23 VAL A 31 0.696 -11.290 4.573 1.00 34.41 H new ATOM 436 N ARG A 32 -1.686 -14.239 4.856 1.00 64.41 N ATOM 437 CA ARG A 32 -1.379 -15.528 4.266 1.00 75.13 C ATOM 438 C ARG A 32 -0.400 -15.420 3.114 1.00 62.44 C ATOM 439 O ARG A 32 0.636 -16.076 3.119 1.00 40.34 O ATOM 440 CB ARG A 32 -2.660 -16.243 3.792 1.00 44.34 C ATOM 441 CG ARG A 32 -2.498 -17.754 3.558 1.00 31.25 C ATOM 442 CD ARG A 32 -3.843 -18.501 3.477 1.00 53.13 C ATOM 443 NE ARG A 32 -4.582 -18.226 4.767 1.00 62.21 N ATOM 444 CZ ARG A 32 -5.905 -17.824 4.800 1.00 63.54 C ATOM 445 NH1 ARG A 32 -6.652 -17.764 3.656 1.00 74.51 N ATOM 446 NH2 ARG A 32 -6.456 -17.479 6.000 1.00 15.32 N ATOM 0 H ARG A 32 -2.681 -14.017 4.841 1.00 64.41 H new ATOM 0 HA ARG A 32 -0.907 -16.118 5.052 1.00 75.13 H new ATOM 0 HB2 ARG A 32 -3.444 -16.085 4.532 1.00 44.34 H new ATOM 0 HB3 ARG A 32 -2.998 -15.779 2.866 1.00 44.34 H new ATOM 0 HG2 ARG A 32 -1.944 -17.915 2.633 1.00 31.25 H new ATOM 0 HG3 ARG A 32 -1.901 -18.179 4.365 1.00 31.25 H new ATOM 0 HD2 ARG A 32 -4.423 -18.158 2.620 1.00 53.13 H new ATOM 0 HD3 ARG A 32 -3.682 -19.571 3.346 1.00 53.13 H new ATOM 0 HE ARG A 32 -4.084 -18.342 5.650 1.00 62.21 H new ATOM 0 HH11 ARG A 32 -6.235 -18.018 2.761 1.00 74.51 H new ATOM 0 HH12 ARG A 32 -7.626 -17.465 3.698 1.00 74.51 H new ATOM 0 HH21 ARG A 32 -5.894 -17.520 6.850 1.00 15.32 H new ATOM 0 HH22 ARG A 32 -7.430 -17.180 6.047 1.00 15.32 H new ATOM 460 N HIS A 33 -0.703 -14.592 2.087 1.00 2.51 N ATOM 461 CA HIS A 33 0.155 -14.556 0.875 1.00 21.20 C ATOM 462 C HIS A 33 1.426 -13.786 1.160 1.00 60.14 C ATOM 463 O HIS A 33 2.201 -13.533 0.252 1.00 21.14 O ATOM 464 CB HIS A 33 -0.494 -13.851 -0.354 1.00 1.22 C ATOM 465 CG HIS A 33 -1.613 -14.615 -0.995 1.00 51.31 C ATOM 466 ND1 HIS A 33 -2.882 -14.633 -0.494 1.00 42.21 N ATOM 467 CD2 HIS A 33 -1.612 -15.362 -2.116 1.00 32.04 C ATOM 468 CE1 HIS A 33 -3.635 -15.377 -1.303 1.00 33.20 C ATOM 469 NE2 HIS A 33 -2.874 -15.827 -2.291 1.00 22.50 N ATOM 0 H HIS A 33 -1.504 -13.961 2.068 1.00 2.51 H new ATOM 0 HA HIS A 33 0.327 -15.605 0.634 1.00 21.20 H new ATOM 0 HB2 HIS A 33 -0.870 -12.877 -0.040 1.00 1.22 H new ATOM 0 HB3 HIS A 33 0.278 -13.669 -1.101 1.00 1.22 H new ATOM 0 HD2 HIS A 33 -0.764 -15.555 -2.756 1.00 32.04 H new ATOM 0 HE1 HIS A 33 -4.688 -15.579 -1.175 1.00 33.20 H new ATOM 0 HE2 HIS A 33 -3.186 -16.424 -3.057 1.00 22.50 H new ATOM 478 N GLY A 34 1.668 -13.382 2.432 1.00 2.12 N ATOM 479 CA GLY A 34 2.840 -12.554 2.794 1.00 54.25 C ATOM 480 C GLY A 34 2.875 -11.245 2.016 1.00 55.44 C ATOM 481 O GLY A 34 3.856 -10.506 2.093 1.00 33.41 O ATOM 0 H GLY A 34 1.066 -13.617 3.221 1.00 2.12 H new ATOM 0 HA2 GLY A 34 2.817 -12.340 3.863 1.00 54.25 H new ATOM 0 HA3 GLY A 34 3.754 -13.115 2.601 1.00 54.25 H new ATOM 485 N GLY A 35 1.812 -10.952 1.233 1.00 32.42 N ATOM 486 CA GLY A 35 1.771 -9.766 0.407 1.00 72.15 C ATOM 487 C GLY A 35 1.632 -8.608 1.307 1.00 74.44 C ATOM 488 O GLY A 35 1.247 -8.759 2.462 1.00 32.14 O ATOM 0 H GLY A 35 0.978 -11.535 1.169 1.00 32.42 H new ATOM 0 HA2 GLY A 35 2.679 -9.682 -0.189 1.00 72.15 H new ATOM 0 HA3 GLY A 35 0.935 -9.813 -0.291 1.00 72.15 H new ATOM 492 N ILE A 36 1.967 -7.415 0.813 1.00 13.43 N ATOM 493 CA ILE A 36 1.912 -6.255 1.643 1.00 75.51 C ATOM 494 C ILE A 36 0.480 -5.781 1.607 1.00 71.02 C ATOM 495 O ILE A 36 0.010 -5.302 0.586 1.00 4.43 O ATOM 496 CB ILE A 36 2.843 -5.140 1.187 1.00 51.04 C ATOM 497 CG1 ILE A 36 4.273 -5.685 0.901 1.00 32.33 C ATOM 498 CG2 ILE A 36 2.828 -4.016 2.239 1.00 42.11 C ATOM 499 CD1 ILE A 36 4.944 -6.398 2.092 1.00 34.14 C ATOM 0 H ILE A 36 2.272 -7.248 -0.146 1.00 13.43 H new ATOM 0 HA ILE A 36 2.244 -6.515 2.648 1.00 75.51 H new ATOM 0 HB ILE A 36 2.492 -4.724 0.243 1.00 51.04 H new ATOM 0 HG12 ILE A 36 4.221 -6.380 0.063 1.00 32.33 H new ATOM 0 HG13 ILE A 36 4.907 -4.855 0.589 1.00 32.33 H new ATOM 0 HG21 ILE A 36 3.492 -3.212 1.922 1.00 42.11 H new ATOM 0 HG22 ILE A 36 1.814 -3.629 2.344 1.00 42.11 H new ATOM 0 HG23 ILE A 36 3.167 -4.410 3.197 1.00 42.11 H new ATOM 0 HD11 ILE A 36 5.935 -6.743 1.798 1.00 34.14 H new ATOM 0 HD12 ILE A 36 5.034 -5.704 2.928 1.00 34.14 H new ATOM 0 HD13 ILE A 36 4.337 -7.252 2.393 1.00 34.14 H new ATOM 511 N TYR A 37 -0.250 -5.950 2.715 1.00 12.01 N ATOM 512 CA TYR A 37 -1.635 -5.565 2.759 1.00 4.13 C ATOM 513 C TYR A 37 -1.704 -4.299 3.522 1.00 23.44 C ATOM 514 O TYR A 37 -0.964 -4.086 4.484 1.00 74.11 O ATOM 515 CB TYR A 37 -2.582 -6.586 3.466 1.00 71.32 C ATOM 516 CG TYR A 37 -2.901 -7.703 2.503 1.00 71.13 C ATOM 517 CD1 TYR A 37 -2.013 -8.785 2.322 1.00 45.31 C ATOM 518 CD2 TYR A 37 -4.104 -7.675 1.752 1.00 32.04 C ATOM 519 CE1 TYR A 37 -2.303 -9.806 1.395 1.00 42.54 C ATOM 520 CE2 TYR A 37 -4.394 -8.691 0.819 1.00 54.44 C ATOM 521 CZ TYR A 37 -3.489 -9.755 0.635 1.00 5.11 C ATOM 522 OH TYR A 37 -3.764 -10.763 -0.319 1.00 14.54 O ATOM 0 H TYR A 37 0.108 -6.351 3.582 1.00 12.01 H new ATOM 0 HA TYR A 37 -1.976 -5.492 1.726 1.00 4.13 H new ATOM 0 HB2 TYR A 37 -2.105 -6.985 4.362 1.00 71.32 H new ATOM 0 HB3 TYR A 37 -3.499 -6.091 3.786 1.00 71.32 H new ATOM 0 HD1 TYR A 37 -1.102 -8.831 2.900 1.00 45.31 H new ATOM 0 HD2 TYR A 37 -4.805 -6.867 1.897 1.00 32.04 H new ATOM 0 HE1 TYR A 37 -1.615 -10.629 1.267 1.00 42.54 H new ATOM 0 HE2 TYR A 37 -5.309 -8.654 0.246 1.00 54.44 H new ATOM 0 HH TYR A 37 -4.622 -10.577 -0.754 1.00 14.54 H new ATOM 532 N VAL A 38 -2.618 -3.420 3.097 1.00 32.11 N ATOM 533 CA VAL A 38 -2.898 -2.204 3.780 1.00 23.43 C ATOM 534 C VAL A 38 -3.613 -2.594 5.048 1.00 51.41 C ATOM 535 O VAL A 38 -4.513 -3.455 5.036 1.00 54.44 O ATOM 536 CB VAL A 38 -3.783 -1.286 2.957 1.00 15.21 C ATOM 537 CG1 VAL A 38 -4.070 -0.003 3.744 1.00 34.03 C ATOM 538 CG2 VAL A 38 -3.076 -1.015 1.607 1.00 52.12 C ATOM 0 H VAL A 38 -3.178 -3.558 2.256 1.00 32.11 H new ATOM 0 HA VAL A 38 -1.975 -1.658 3.974 1.00 23.43 H new ATOM 0 HB VAL A 38 -4.748 -1.747 2.749 1.00 15.21 H new ATOM 0 HG11 VAL A 38 -4.706 0.654 3.150 1.00 34.03 H new ATOM 0 HG12 VAL A 38 -4.577 -0.253 4.676 1.00 34.03 H new ATOM 0 HG13 VAL A 38 -3.132 0.505 3.967 1.00 34.03 H new ATOM 0 HG21 VAL A 38 -3.695 -0.356 0.998 1.00 52.12 H new ATOM 0 HG22 VAL A 38 -2.112 -0.540 1.790 1.00 52.12 H new ATOM 0 HG23 VAL A 38 -2.922 -1.957 1.081 1.00 52.12 H new ATOM 548 N LYS A 39 -3.158 -2.022 6.170 1.00 20.02 N ATOM 549 CA LYS A 39 -3.584 -2.474 7.460 1.00 3.14 C ATOM 550 C LYS A 39 -4.359 -1.374 8.108 1.00 32.14 C ATOM 551 O LYS A 39 -5.319 -1.620 8.818 1.00 25.34 O ATOM 552 CB LYS A 39 -2.379 -2.788 8.357 1.00 72.25 C ATOM 553 CG LYS A 39 -2.759 -3.392 9.723 1.00 1.22 C ATOM 554 CD LYS A 39 -1.563 -3.727 10.619 1.00 44.10 C ATOM 555 CE LYS A 39 -0.642 -2.522 10.885 1.00 74.24 C ATOM 556 NZ LYS A 39 0.373 -2.855 11.886 1.00 54.34 N ATOM 0 H LYS A 39 -2.495 -1.247 6.189 1.00 20.02 H new ATOM 0 HA LYS A 39 -4.184 -3.376 7.335 1.00 3.14 H new ATOM 0 HB2 LYS A 39 -1.720 -3.482 7.834 1.00 72.25 H new ATOM 0 HB3 LYS A 39 -1.812 -1.872 8.521 1.00 72.25 H new ATOM 0 HG2 LYS A 39 -3.407 -2.691 10.249 1.00 1.22 H new ATOM 0 HG3 LYS A 39 -3.339 -4.300 9.557 1.00 1.22 H new ATOM 0 HD2 LYS A 39 -1.928 -4.113 11.571 1.00 44.10 H new ATOM 0 HD3 LYS A 39 -0.982 -4.523 10.154 1.00 44.10 H new ATOM 0 HE2 LYS A 39 -0.158 -2.217 9.957 1.00 74.24 H new ATOM 0 HE3 LYS A 39 -1.235 -1.674 11.229 1.00 74.24 H new ATOM 0 HZ1 LYS A 39 0.838 -1.984 12.212 1.00 54.34 H new ATOM 0 HZ2 LYS A 39 -0.079 -3.330 12.694 1.00 54.34 H new ATOM 0 HZ3 LYS A 39 1.082 -3.489 11.464 1.00 54.34 H new ATOM 570 N ALA A 40 -3.936 -0.130 7.907 1.00 11.34 N ATOM 571 CA ALA A 40 -4.578 0.956 8.598 1.00 34.00 C ATOM 572 C ALA A 40 -4.630 2.079 7.661 1.00 22.51 C ATOM 573 O ALA A 40 -3.723 2.241 6.840 1.00 42.51 O ATOM 574 CB ALA A 40 -3.814 1.439 9.848 1.00 60.20 C ATOM 0 H ALA A 40 -3.171 0.136 7.286 1.00 11.34 H new ATOM 0 HA ALA A 40 -5.554 0.605 8.932 1.00 34.00 H new ATOM 0 HB1 ALA A 40 -4.360 2.259 10.314 1.00 60.20 H new ATOM 0 HB2 ALA A 40 -3.719 0.617 10.557 1.00 60.20 H new ATOM 0 HB3 ALA A 40 -2.822 1.783 9.557 1.00 60.20 H new ATOM 580 N VAL A 41 -5.702 2.879 7.763 1.00 64.52 N ATOM 581 CA VAL A 41 -5.820 4.081 7.008 1.00 40.23 C ATOM 582 C VAL A 41 -6.212 5.138 8.015 1.00 33.33 C ATOM 583 O VAL A 41 -7.260 5.037 8.687 1.00 14.03 O ATOM 584 CB VAL A 41 -6.875 4.014 5.905 1.00 34.12 C ATOM 585 CG1 VAL A 41 -6.872 5.347 5.129 1.00 23.15 C ATOM 586 CG2 VAL A 41 -6.551 2.805 5.000 1.00 73.54 C ATOM 0 H VAL A 41 -6.495 2.689 8.376 1.00 64.52 H new ATOM 0 HA VAL A 41 -4.881 4.285 6.494 1.00 40.23 H new ATOM 0 HB VAL A 41 -7.876 3.875 6.312 1.00 34.12 H new ATOM 0 HG11 VAL A 41 -7.622 5.310 4.339 1.00 23.15 H new ATOM 0 HG12 VAL A 41 -7.104 6.165 5.811 1.00 23.15 H new ATOM 0 HG13 VAL A 41 -5.888 5.509 4.688 1.00 23.15 H new ATOM 0 HG21 VAL A 41 -7.293 2.737 4.204 1.00 73.54 H new ATOM 0 HG22 VAL A 41 -5.560 2.932 4.563 1.00 73.54 H new ATOM 0 HG23 VAL A 41 -6.571 1.891 5.593 1.00 73.54 H new ATOM 596 N ILE A 42 -5.357 6.162 8.149 1.00 0.03 N ATOM 597 CA ILE A 42 -5.558 7.228 9.108 1.00 44.24 C ATOM 598 C ILE A 42 -6.707 8.079 8.578 1.00 71.24 C ATOM 599 O ILE A 42 -6.813 8.302 7.363 1.00 31.31 O ATOM 600 CB ILE A 42 -4.327 8.059 9.288 1.00 45.03 C ATOM 601 CG1 ILE A 42 -3.209 7.141 9.805 1.00 65.04 C ATOM 602 CG2 ILE A 42 -4.587 9.269 10.242 1.00 32.42 C ATOM 603 CD1 ILE A 42 -2.021 7.930 10.180 1.00 63.44 C ATOM 0 H ILE A 42 -4.510 6.263 7.590 1.00 0.03 H new ATOM 0 HA ILE A 42 -5.788 6.812 10.089 1.00 44.24 H new ATOM 0 HB ILE A 42 -4.026 8.495 8.336 1.00 45.03 H new ATOM 0 HG12 ILE A 42 -3.564 6.576 10.667 1.00 65.04 H new ATOM 0 HG13 ILE A 42 -2.943 6.415 9.037 1.00 65.04 H new ATOM 0 HG21 ILE A 42 -3.671 9.851 10.350 1.00 32.42 H new ATOM 0 HG22 ILE A 42 -5.371 9.900 9.824 1.00 32.42 H new ATOM 0 HG23 ILE A 42 -4.900 8.901 11.219 1.00 32.42 H new ATOM 0 HD11 ILE A 42 -1.240 7.262 10.544 1.00 63.44 H new ATOM 0 HD12 ILE A 42 -1.656 8.474 9.309 1.00 63.44 H new ATOM 0 HD13 ILE A 42 -2.287 8.638 10.965 1.00 63.44 H new ATOM 615 N PRO A 43 -7.604 8.538 9.489 1.00 63.42 N ATOM 616 CA PRO A 43 -8.707 9.408 9.133 1.00 14.11 C ATOM 617 C PRO A 43 -8.180 10.658 8.481 1.00 3.45 C ATOM 618 O PRO A 43 -7.414 11.404 9.112 1.00 35.41 O ATOM 619 CB PRO A 43 -9.437 9.708 10.458 1.00 32.43 C ATOM 620 CG PRO A 43 -8.426 9.328 11.559 1.00 13.31 C ATOM 621 CD PRO A 43 -7.608 8.206 10.917 1.00 23.33 C ATOM 0 HA PRO A 43 -9.389 8.954 8.415 1.00 14.11 H new ATOM 0 HB2 PRO A 43 -9.719 10.759 10.525 1.00 32.43 H new ATOM 0 HB3 PRO A 43 -10.354 9.126 10.545 1.00 32.43 H new ATOM 0 HG2 PRO A 43 -7.798 10.174 11.837 1.00 13.31 H new ATOM 0 HG3 PRO A 43 -8.928 8.991 12.466 1.00 13.31 H new ATOM 0 HD2 PRO A 43 -6.596 8.169 11.321 1.00 23.33 H new ATOM 0 HD3 PRO A 43 -8.059 7.230 11.098 1.00 23.33 H new ATOM 629 N GLN A 44 -8.608 10.873 7.228 1.00 52.11 N ATOM 630 CA GLN A 44 -8.285 12.005 6.443 1.00 13.42 C ATOM 631 C GLN A 44 -6.823 11.984 6.067 1.00 31.21 C ATOM 632 O GLN A 44 -6.222 13.031 5.767 1.00 51.44 O ATOM 633 CB GLN A 44 -8.719 13.355 7.052 1.00 74.34 C ATOM 634 CG GLN A 44 -8.983 14.417 5.990 1.00 34.13 C ATOM 635 CD GLN A 44 -9.654 15.621 6.640 1.00 74.33 C ATOM 636 OE1 GLN A 44 -9.060 16.695 6.744 1.00 54.35 O ATOM 637 NE2 GLN A 44 -10.915 15.451 7.086 1.00 4.13 N ATOM 0 H GLN A 44 -9.215 10.214 6.740 1.00 52.11 H new ATOM 0 HA GLN A 44 -8.881 11.926 5.534 1.00 13.42 H new ATOM 0 HB2 GLN A 44 -9.621 13.208 7.647 1.00 74.34 H new ATOM 0 HB3 GLN A 44 -7.944 13.710 7.731 1.00 74.34 H new ATOM 0 HG2 GLN A 44 -8.047 14.718 5.519 1.00 34.13 H new ATOM 0 HG3 GLN A 44 -9.620 14.011 5.204 1.00 34.13 H new ATOM 0 HE21 GLN A 44 -11.375 14.547 6.982 1.00 4.13 H new ATOM 0 HE22 GLN A 44 -11.409 16.227 7.527 1.00 4.13 H new ATOM 646 N GLY A 45 -6.214 10.772 6.031 1.00 52.10 N ATOM 647 CA GLY A 45 -4.895 10.618 5.481 1.00 31.12 C ATOM 648 C GLY A 45 -5.013 10.693 3.991 1.00 71.02 C ATOM 649 O GLY A 45 -6.118 10.737 3.439 1.00 72.22 O ATOM 0 H GLY A 45 -6.633 9.910 6.380 1.00 52.10 H new ATOM 0 HA2 GLY A 45 -4.232 11.400 5.852 1.00 31.12 H new ATOM 0 HA3 GLY A 45 -4.463 9.664 5.783 1.00 31.12 H new ATOM 653 N ALA A 46 -3.855 10.705 3.309 1.00 32.44 N ATOM 654 CA ALA A 46 -3.787 10.929 1.873 1.00 74.24 C ATOM 655 C ALA A 46 -4.512 9.807 1.171 1.00 43.11 C ATOM 656 O ALA A 46 -5.257 10.027 0.220 1.00 30.24 O ATOM 657 CB ALA A 46 -2.324 10.966 1.348 1.00 43.33 C ATOM 0 H ALA A 46 -2.945 10.559 3.747 1.00 32.44 H new ATOM 0 HA ALA A 46 -4.245 11.897 1.669 1.00 74.24 H new ATOM 0 HB1 ALA A 46 -2.328 11.136 0.271 1.00 43.33 H new ATOM 0 HB2 ALA A 46 -1.781 11.773 1.840 1.00 43.33 H new ATOM 0 HB3 ALA A 46 -1.836 10.016 1.564 1.00 43.33 H new ATOM 663 N ALA A 47 -4.309 8.567 1.666 1.00 43.55 N ATOM 664 CA ALA A 47 -4.892 7.367 1.049 1.00 62.14 C ATOM 665 C ALA A 47 -6.392 7.464 1.093 1.00 3.23 C ATOM 666 O ALA A 47 -7.058 7.256 0.088 1.00 4.43 O ATOM 667 CB ALA A 47 -4.507 6.071 1.779 1.00 52.55 C ATOM 0 H ALA A 47 -3.744 8.376 2.493 1.00 43.55 H new ATOM 0 HA ALA A 47 -4.506 7.326 0.030 1.00 62.14 H new ATOM 0 HB1 ALA A 47 -4.967 5.220 1.277 1.00 52.55 H new ATOM 0 HB2 ALA A 47 -3.423 5.956 1.768 1.00 52.55 H new ATOM 0 HB3 ALA A 47 -4.857 6.117 2.810 1.00 52.55 H new ATOM 673 N GLU A 48 -6.947 7.788 2.287 1.00 5.43 N ATOM 674 CA GLU A 48 -8.396 7.829 2.481 1.00 30.33 C ATOM 675 C GLU A 48 -8.988 8.853 1.547 1.00 10.14 C ATOM 676 O GLU A 48 -10.020 8.625 0.932 1.00 51.52 O ATOM 677 CB GLU A 48 -8.820 8.211 3.926 1.00 12.12 C ATOM 678 CG GLU A 48 -10.318 7.967 4.195 1.00 61.54 C ATOM 679 CD GLU A 48 -10.637 8.431 5.589 1.00 35.23 C ATOM 680 OE1 GLU A 48 -10.539 9.643 5.838 1.00 20.40 O ATOM 681 OE2 GLU A 48 -11.001 7.584 6.444 1.00 34.10 O ATOM 0 H GLU A 48 -6.406 8.022 3.119 1.00 5.43 H new ATOM 0 HA GLU A 48 -8.761 6.821 2.281 1.00 30.33 H new ATOM 0 HB2 GLU A 48 -8.229 7.634 4.637 1.00 12.12 H new ATOM 0 HB3 GLU A 48 -8.591 9.262 4.101 1.00 12.12 H new ATOM 0 HG2 GLU A 48 -10.926 8.507 3.468 1.00 61.54 H new ATOM 0 HG3 GLU A 48 -10.555 6.909 4.085 1.00 61.54 H new ATOM 688 N SER A 49 -8.323 10.008 1.424 1.00 41.52 N ATOM 689 CA SER A 49 -8.830 11.095 0.620 1.00 33.15 C ATOM 690 C SER A 49 -8.801 10.699 -0.854 1.00 61.54 C ATOM 691 O SER A 49 -9.722 11.022 -1.611 1.00 35.21 O ATOM 692 CB SER A 49 -7.998 12.364 0.833 1.00 52.02 C ATOM 693 OG SER A 49 -8.064 12.719 2.225 1.00 61.43 O ATOM 0 H SER A 49 -7.430 10.201 1.878 1.00 41.52 H new ATOM 0 HA SER A 49 -9.856 11.302 0.923 1.00 33.15 H new ATOM 0 HB2 SER A 49 -6.964 12.195 0.533 1.00 52.02 H new ATOM 0 HB3 SER A 49 -8.380 13.177 0.215 1.00 52.02 H new ATOM 0 HG SER A 49 -7.455 12.147 2.738 1.00 61.43 H new ATOM 699 N ASP A 50 -7.761 9.945 -1.279 1.00 5.52 N ATOM 700 CA ASP A 50 -7.683 9.490 -2.684 1.00 2.11 C ATOM 701 C ASP A 50 -8.773 8.452 -2.893 1.00 0.24 C ATOM 702 O ASP A 50 -9.421 8.409 -3.934 1.00 21.51 O ATOM 703 CB ASP A 50 -6.327 8.858 -3.089 1.00 2.52 C ATOM 704 CG ASP A 50 -6.313 8.692 -4.609 1.00 35.31 C ATOM 705 OD1 ASP A 50 -6.179 9.724 -5.332 1.00 4.44 O ATOM 706 OD2 ASP A 50 -6.463 7.561 -5.088 1.00 24.31 O ATOM 0 H ASP A 50 -6.985 9.646 -0.688 1.00 5.52 H new ATOM 0 HA ASP A 50 -7.802 10.376 -3.308 1.00 2.11 H new ATOM 0 HB2 ASP A 50 -5.501 9.493 -2.768 1.00 2.52 H new ATOM 0 HB3 ASP A 50 -6.196 7.893 -2.600 1.00 2.52 H new ATOM 711 N GLY A 51 -9.013 7.622 -1.859 1.00 4.24 N ATOM 712 CA GLY A 51 -10.130 6.682 -1.856 1.00 44.44 C ATOM 713 C GLY A 51 -9.764 5.411 -2.554 1.00 11.25 C ATOM 714 O GLY A 51 -10.434 4.398 -2.391 1.00 62.24 O ATOM 0 H GLY A 51 -8.440 7.591 -1.016 1.00 4.24 H new ATOM 0 HA2 GLY A 51 -10.424 6.465 -0.829 1.00 44.44 H new ATOM 0 HA3 GLY A 51 -10.992 7.135 -2.346 1.00 44.44 H new ATOM 718 N ARG A 52 -8.711 5.433 -3.383 1.00 34.24 N ATOM 719 CA ARG A 52 -8.389 4.290 -4.204 1.00 3.24 C ATOM 720 C ARG A 52 -7.780 3.234 -3.329 1.00 14.22 C ATOM 721 O ARG A 52 -8.057 2.050 -3.496 1.00 44.41 O ATOM 722 CB ARG A 52 -7.398 4.641 -5.335 1.00 2.31 C ATOM 723 CG ARG A 52 -7.029 3.500 -6.314 1.00 34.51 C ATOM 724 CD ARG A 52 -8.211 2.858 -7.070 1.00 1.13 C ATOM 725 NE ARG A 52 -8.886 1.874 -6.156 1.00 74.44 N ATOM 726 CZ ARG A 52 -9.918 1.071 -6.596 1.00 1.10 C ATOM 727 NH1 ARG A 52 -10.417 1.215 -7.860 1.00 3.04 N ATOM 728 NH2 ARG A 52 -10.441 0.130 -5.763 1.00 41.45 N ATOM 0 H ARG A 52 -8.082 6.228 -3.492 1.00 34.24 H new ATOM 0 HA ARG A 52 -9.309 3.938 -4.672 1.00 3.24 H new ATOM 0 HB2 ARG A 52 -7.819 5.463 -5.914 1.00 2.31 H new ATOM 0 HB3 ARG A 52 -6.479 5.010 -4.880 1.00 2.31 H new ATOM 0 HG2 ARG A 52 -6.322 3.889 -7.046 1.00 34.51 H new ATOM 0 HG3 ARG A 52 -6.512 2.720 -5.755 1.00 34.51 H new ATOM 0 HD2 ARG A 52 -8.917 3.624 -7.389 1.00 1.13 H new ATOM 0 HD3 ARG A 52 -7.857 2.357 -7.971 1.00 1.13 H new ATOM 0 HE ARG A 52 -8.574 1.798 -5.188 1.00 74.44 H new ATOM 0 HH11 ARG A 52 -10.026 1.920 -8.485 1.00 3.04 H new ATOM 0 HH12 ARG A 52 -11.180 0.618 -8.178 1.00 3.04 H new ATOM 0 HH21 ARG A 52 -10.070 0.022 -4.819 1.00 41.45 H new ATOM 0 HH22 ARG A 52 -11.204 -0.467 -6.083 1.00 41.45 H new ATOM 742 N ILE A 53 -6.936 3.650 -2.384 1.00 41.20 N ATOM 743 CA ILE A 53 -6.289 2.717 -1.503 1.00 31.43 C ATOM 744 C ILE A 53 -7.134 2.676 -0.255 1.00 3.22 C ATOM 745 O ILE A 53 -7.356 3.710 0.378 1.00 41.14 O ATOM 746 CB ILE A 53 -4.881 3.150 -1.145 1.00 34.22 C ATOM 747 CG1 ILE A 53 -4.093 3.458 -2.444 1.00 51.14 C ATOM 748 CG2 ILE A 53 -4.221 2.049 -0.277 1.00 12.32 C ATOM 749 CD1 ILE A 53 -2.675 3.946 -2.197 1.00 63.53 C ATOM 0 H ILE A 53 -6.694 4.627 -2.221 1.00 41.20 H new ATOM 0 HA ILE A 53 -6.201 1.744 -1.986 1.00 31.43 H new ATOM 0 HB ILE A 53 -4.887 4.066 -0.555 1.00 34.22 H new ATOM 0 HG12 ILE A 53 -4.056 2.558 -3.058 1.00 51.14 H new ATOM 0 HG13 ILE A 53 -4.633 4.213 -3.016 1.00 51.14 H new ATOM 0 HG21 ILE A 53 -3.207 2.352 -0.014 1.00 12.32 H new ATOM 0 HG22 ILE A 53 -4.804 1.905 0.633 1.00 12.32 H new ATOM 0 HG23 ILE A 53 -4.187 1.115 -0.838 1.00 12.32 H new ATOM 0 HD11 ILE A 53 -2.186 4.141 -3.151 1.00 63.53 H new ATOM 0 HD12 ILE A 53 -2.703 4.864 -1.610 1.00 63.53 H new ATOM 0 HD13 ILE A 53 -2.118 3.184 -1.653 1.00 63.53 H new ATOM 761 N HIS A 54 -7.650 1.484 0.090 1.00 12.11 N ATOM 762 CA HIS A 54 -8.486 1.322 1.248 1.00 3.22 C ATOM 763 C HIS A 54 -7.792 0.317 2.109 1.00 42.24 C ATOM 764 O HIS A 54 -6.836 -0.333 1.694 1.00 30.22 O ATOM 765 CB HIS A 54 -9.885 0.741 0.882 1.00 72.15 C ATOM 766 CG HIS A 54 -10.932 0.813 1.973 1.00 14.25 C ATOM 767 ND1 HIS A 54 -11.172 -0.219 2.847 1.00 15.23 N ATOM 768 CD2 HIS A 54 -11.790 1.802 2.282 1.00 62.21 C ATOM 769 CE1 HIS A 54 -12.152 0.144 3.668 1.00 3.34 C ATOM 770 NE2 HIS A 54 -12.542 1.371 3.344 1.00 11.54 N ATOM 0 H HIS A 54 -7.489 0.624 -0.434 1.00 12.11 H new ATOM 0 HA HIS A 54 -8.640 2.288 1.729 1.00 3.22 H new ATOM 0 HB2 HIS A 54 -10.261 1.272 0.008 1.00 72.15 H new ATOM 0 HB3 HIS A 54 -9.760 -0.302 0.592 1.00 72.15 H new ATOM 0 HD1 HIS A 54 -10.681 -1.113 2.863 1.00 15.23 H new ATOM 0 HD2 HIS A 54 -11.871 2.758 1.786 1.00 62.21 H new ATOM 0 HE1 HIS A 54 -12.562 -0.458 4.465 1.00 3.34 H new ATOM 779 N LYS A 55 -8.272 0.159 3.331 1.00 43.44 N ATOM 780 CA LYS A 55 -7.834 -0.873 4.228 1.00 75.32 C ATOM 781 C LYS A 55 -8.275 -2.185 3.621 1.00 10.11 C ATOM 782 O LYS A 55 -9.397 -2.278 3.104 1.00 15.32 O ATOM 783 CB LYS A 55 -8.553 -0.689 5.580 1.00 74.43 C ATOM 784 CG LYS A 55 -7.934 -1.355 6.816 1.00 45.54 C ATOM 785 CD LYS A 55 -8.258 -2.842 7.018 1.00 23.14 C ATOM 786 CE LYS A 55 -8.205 -3.230 8.516 1.00 14.41 C ATOM 787 NZ LYS A 55 -8.475 -4.656 8.733 1.00 41.43 N ATOM 0 H LYS A 55 -8.993 0.763 3.727 1.00 43.44 H new ATOM 0 HA LYS A 55 -6.755 -0.843 4.380 1.00 75.32 H new ATOM 0 HB2 LYS A 55 -8.627 0.380 5.777 1.00 74.43 H new ATOM 0 HB3 LYS A 55 -9.571 -1.064 5.472 1.00 74.43 H new ATOM 0 HG2 LYS A 55 -6.851 -1.245 6.758 1.00 45.54 H new ATOM 0 HG3 LYS A 55 -8.263 -0.809 7.700 1.00 45.54 H new ATOM 0 HD2 LYS A 55 -9.249 -3.058 6.619 1.00 23.14 H new ATOM 0 HD3 LYS A 55 -7.549 -3.451 6.457 1.00 23.14 H new ATOM 0 HE2 LYS A 55 -7.222 -2.984 8.918 1.00 14.41 H new ATOM 0 HE3 LYS A 55 -8.933 -2.637 9.069 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 -9.225 -4.763 9.445 1.00 41.43 H new ATOM 0 HZ2 LYS A 55 -8.781 -5.091 7.839 1.00 41.43 H new ATOM 0 HZ3 LYS A 55 -7.610 -5.126 9.068 1.00 41.43 H new ATOM 801 N GLY A 56 -7.423 -3.223 3.645 1.00 13.33 N ATOM 802 CA GLY A 56 -7.816 -4.497 3.075 1.00 75.13 C ATOM 803 C GLY A 56 -7.129 -4.654 1.756 1.00 33.45 C ATOM 804 O GLY A 56 -6.909 -5.775 1.308 1.00 65.13 O ATOM 0 H GLY A 56 -6.485 -3.197 4.044 1.00 13.33 H new ATOM 0 HA2 GLY A 56 -7.543 -5.313 3.745 1.00 75.13 H new ATOM 0 HA3 GLY A 56 -8.898 -4.538 2.947 1.00 75.13 H new ATOM 808 N ASP A 57 -6.778 -3.514 1.093 1.00 24.22 N ATOM 809 CA ASP A 57 -6.120 -3.543 -0.227 1.00 64.53 C ATOM 810 C ASP A 57 -4.728 -4.021 -0.027 1.00 71.03 C ATOM 811 O ASP A 57 -4.254 -4.102 1.095 1.00 2.41 O ATOM 812 CB ASP A 57 -6.033 -2.152 -0.919 1.00 4.33 C ATOM 813 CG ASP A 57 -7.356 -1.871 -1.599 1.00 13.30 C ATOM 814 OD1 ASP A 57 -7.749 -2.653 -2.492 1.00 1.23 O ATOM 815 OD2 ASP A 57 -8.005 -0.874 -1.253 1.00 52.24 O ATOM 0 H ASP A 57 -6.943 -2.575 1.456 1.00 24.22 H new ATOM 0 HA ASP A 57 -6.719 -4.191 -0.867 1.00 64.53 H new ATOM 0 HB2 ASP A 57 -5.812 -1.377 -0.185 1.00 4.33 H new ATOM 0 HB3 ASP A 57 -5.223 -2.141 -1.648 1.00 4.33 H new ATOM 820 N ARG A 58 -4.037 -4.388 -1.123 1.00 21.51 N ATOM 821 CA ARG A 58 -2.688 -4.870 -1.004 1.00 21.24 C ATOM 822 C ARG A 58 -1.860 -4.121 -1.978 1.00 25.12 C ATOM 823 O ARG A 58 -2.285 -3.846 -3.097 1.00 61.12 O ATOM 824 CB ARG A 58 -2.527 -6.409 -1.225 1.00 30.04 C ATOM 825 CG ARG A 58 -3.287 -6.984 -2.439 1.00 31.33 C ATOM 826 CD ARG A 58 -2.544 -6.896 -3.788 1.00 22.40 C ATOM 827 NE ARG A 58 -1.707 -8.136 -3.989 1.00 71.12 N ATOM 828 CZ ARG A 58 -0.369 -8.223 -3.660 1.00 25.04 C ATOM 829 NH1 ARG A 58 0.266 -7.223 -2.978 1.00 53.44 N ATOM 830 NH2 ARG A 58 0.317 -9.332 -4.031 1.00 41.51 N ATOM 0 H ARG A 58 -4.400 -4.354 -2.075 1.00 21.51 H new ATOM 0 HA ARG A 58 -2.366 -4.702 0.024 1.00 21.24 H new ATOM 0 HB2 ARG A 58 -1.467 -6.634 -1.341 1.00 30.04 H new ATOM 0 HB3 ARG A 58 -2.866 -6.926 -0.327 1.00 30.04 H new ATOM 0 HG2 ARG A 58 -3.519 -8.030 -2.239 1.00 31.33 H new ATOM 0 HG3 ARG A 58 -4.238 -6.459 -2.532 1.00 31.33 H new ATOM 0 HD2 ARG A 58 -3.261 -6.793 -4.603 1.00 22.40 H new ATOM 0 HD3 ARG A 58 -1.909 -6.010 -3.808 1.00 22.40 H new ATOM 0 HE ARG A 58 -2.157 -8.958 -4.392 1.00 71.12 H new ATOM 0 HH11 ARG A 58 -0.250 -6.388 -2.700 1.00 53.44 H new ATOM 0 HH12 ARG A 58 1.256 -7.312 -2.747 1.00 53.44 H new ATOM 0 HH21 ARG A 58 -0.156 -10.078 -4.541 1.00 41.51 H new ATOM 0 HH22 ARG A 58 1.307 -9.421 -3.800 1.00 41.51 H new ATOM 844 N VAL A 59 -0.657 -3.753 -1.546 1.00 51.24 N ATOM 845 CA VAL A 59 0.262 -3.025 -2.348 1.00 43.01 C ATOM 846 C VAL A 59 1.287 -4.037 -2.735 1.00 2.41 C ATOM 847 O VAL A 59 1.589 -4.923 -1.957 1.00 54.50 O ATOM 848 CB VAL A 59 0.938 -1.893 -1.571 1.00 21.14 C ATOM 849 CG1 VAL A 59 1.738 -1.001 -2.552 1.00 34.52 C ATOM 850 CG2 VAL A 59 -0.157 -1.115 -0.801 1.00 14.31 C ATOM 0 H VAL A 59 -0.309 -3.966 -0.611 1.00 51.24 H new ATOM 0 HA VAL A 59 -0.240 -2.555 -3.194 1.00 43.01 H new ATOM 0 HB VAL A 59 1.653 -2.276 -0.843 1.00 21.14 H new ATOM 0 HG11 VAL A 59 2.220 -0.194 -2.000 1.00 34.52 H new ATOM 0 HG12 VAL A 59 2.497 -1.602 -3.053 1.00 34.52 H new ATOM 0 HG13 VAL A 59 1.061 -0.578 -3.294 1.00 34.52 H new ATOM 0 HG21 VAL A 59 0.302 -0.302 -0.239 1.00 14.31 H new ATOM 0 HG22 VAL A 59 -0.878 -0.705 -1.508 1.00 14.31 H new ATOM 0 HG23 VAL A 59 -0.667 -1.789 -0.113 1.00 14.31 H new ATOM 860 N LEU A 60 1.818 -3.955 -3.949 1.00 53.15 N ATOM 861 CA LEU A 60 2.869 -4.877 -4.332 1.00 74.33 C ATOM 862 C LEU A 60 4.121 -4.091 -4.486 1.00 2.22 C ATOM 863 O LEU A 60 5.178 -4.500 -3.985 1.00 3.22 O ATOM 864 CB LEU A 60 2.628 -5.696 -5.626 1.00 43.41 C ATOM 865 CG LEU A 60 1.858 -4.987 -6.738 1.00 34.04 C ATOM 866 CD1 LEU A 60 2.281 -5.470 -8.112 1.00 52.32 C ATOM 867 CD2 LEU A 60 0.356 -5.125 -6.557 1.00 12.22 C ATOM 0 H LEU A 60 1.546 -3.280 -4.663 1.00 53.15 H new ATOM 0 HA LEU A 60 2.914 -5.625 -3.540 1.00 74.33 H new ATOM 0 HB2 LEU A 60 3.596 -6.004 -6.022 1.00 43.41 H new ATOM 0 HB3 LEU A 60 2.088 -6.605 -5.361 1.00 43.41 H new ATOM 0 HG LEU A 60 2.107 -3.928 -6.667 1.00 34.04 H new ATOM 0 HD11 LEU A 60 1.710 -4.941 -8.875 1.00 52.32 H new ATOM 0 HD12 LEU A 60 3.344 -5.276 -8.255 1.00 52.32 H new ATOM 0 HD13 LEU A 60 2.093 -6.541 -8.195 1.00 52.32 H new ATOM 0 HD21 LEU A 60 -0.157 -4.608 -7.368 1.00 12.22 H new ATOM 0 HD22 LEU A 60 0.083 -6.180 -6.570 1.00 12.22 H new ATOM 0 HD23 LEU A 60 0.063 -4.686 -5.603 1.00 12.22 H new ATOM 879 N ALA A 61 4.051 -2.953 -5.189 1.00 3.42 N ATOM 880 CA ALA A 61 5.263 -2.211 -5.443 1.00 41.04 C ATOM 881 C ALA A 61 5.060 -0.782 -5.098 1.00 4.04 C ATOM 882 O ALA A 61 3.944 -0.307 -4.886 1.00 70.34 O ATOM 883 CB ALA A 61 5.781 -2.290 -6.898 1.00 31.42 C ATOM 0 H ALA A 61 3.197 -2.549 -5.573 1.00 3.42 H new ATOM 0 HA ALA A 61 6.020 -2.681 -4.815 1.00 41.04 H new ATOM 0 HB1 ALA A 61 6.694 -1.702 -6.992 1.00 31.42 H new ATOM 0 HB2 ALA A 61 5.990 -3.329 -7.154 1.00 31.42 H new ATOM 0 HB3 ALA A 61 5.024 -1.895 -7.576 1.00 31.42 H new ATOM 889 N VAL A 62 6.195 -0.095 -5.023 1.00 1.22 N ATOM 890 CA VAL A 62 6.258 1.292 -4.678 1.00 13.44 C ATOM 891 C VAL A 62 7.289 1.841 -5.602 1.00 53.31 C ATOM 892 O VAL A 62 8.458 1.598 -5.427 1.00 51.00 O ATOM 893 CB VAL A 62 6.691 1.552 -3.235 1.00 41.44 C ATOM 894 CG1 VAL A 62 6.758 3.083 -2.991 1.00 61.25 C ATOM 895 CG2 VAL A 62 5.687 0.842 -2.297 1.00 42.42 C ATOM 0 H VAL A 62 7.108 -0.510 -5.207 1.00 1.22 H new ATOM 0 HA VAL A 62 5.272 1.748 -4.765 1.00 13.44 H new ATOM 0 HB VAL A 62 7.685 1.152 -3.034 1.00 41.44 H new ATOM 0 HG11 VAL A 62 7.066 3.274 -1.963 1.00 61.25 H new ATOM 0 HG12 VAL A 62 7.479 3.529 -3.675 1.00 61.25 H new ATOM 0 HG13 VAL A 62 5.775 3.522 -3.163 1.00 61.25 H new ATOM 0 HG21 VAL A 62 5.975 1.013 -1.260 1.00 42.42 H new ATOM 0 HG22 VAL A 62 4.687 1.240 -2.466 1.00 42.42 H new ATOM 0 HG23 VAL A 62 5.691 -0.228 -2.503 1.00 42.42 H new ATOM 905 N ASN A 63 6.839 2.562 -6.635 1.00 50.03 N ATOM 906 CA ASN A 63 7.699 3.093 -7.710 1.00 22.42 C ATOM 907 C ASN A 63 8.657 2.011 -8.228 1.00 2.10 C ATOM 908 O ASN A 63 9.840 2.260 -8.464 1.00 52.25 O ATOM 909 CB ASN A 63 8.498 4.374 -7.310 1.00 34.20 C ATOM 910 CG ASN A 63 9.030 5.044 -8.583 1.00 33.25 C ATOM 911 OD1 ASN A 63 8.281 5.256 -9.539 1.00 21.23 O ATOM 912 ND2 ASN A 63 10.327 5.392 -8.606 1.00 0.41 N ATOM 0 H ASN A 63 5.854 2.799 -6.754 1.00 50.03 H new ATOM 0 HA ASN A 63 7.019 3.394 -8.507 1.00 22.42 H new ATOM 0 HB2 ASN A 63 7.856 5.063 -6.761 1.00 34.20 H new ATOM 0 HB3 ASN A 63 9.324 4.112 -6.648 1.00 34.20 H new ATOM 0 HD21 ASN A 63 10.719 5.846 -9.431 1.00 0.41 H new ATOM 0 HD22 ASN A 63 10.920 5.203 -7.798 1.00 0.41 H new ATOM 919 N GLY A 64 8.140 0.783 -8.424 1.00 64.15 N ATOM 920 CA GLY A 64 8.919 -0.276 -9.044 1.00 33.45 C ATOM 921 C GLY A 64 9.816 -0.928 -8.024 1.00 22.41 C ATOM 922 O GLY A 64 10.740 -1.652 -8.387 1.00 20.33 O ATOM 0 H GLY A 64 7.192 0.513 -8.160 1.00 64.15 H new ATOM 0 HA2 GLY A 64 8.252 -1.020 -9.481 1.00 33.45 H new ATOM 0 HA3 GLY A 64 9.518 0.132 -9.858 1.00 33.45 H new ATOM 926 N VAL A 65 9.574 -0.696 -6.713 1.00 21.53 N ATOM 927 CA VAL A 65 10.371 -1.320 -5.713 1.00 53.12 C ATOM 928 C VAL A 65 9.592 -2.515 -5.311 1.00 62.35 C ATOM 929 O VAL A 65 8.462 -2.398 -4.832 1.00 12.22 O ATOM 930 CB VAL A 65 10.604 -0.424 -4.493 1.00 64.24 C ATOM 931 CG1 VAL A 65 11.302 -1.220 -3.379 1.00 72.22 C ATOM 932 CG2 VAL A 65 11.433 0.800 -4.958 1.00 52.32 C ATOM 0 H VAL A 65 8.837 -0.086 -6.359 1.00 21.53 H new ATOM 0 HA VAL A 65 11.363 -1.551 -6.101 1.00 53.12 H new ATOM 0 HB VAL A 65 9.661 -0.071 -4.074 1.00 64.24 H new ATOM 0 HG11 VAL A 65 11.463 -0.574 -2.516 1.00 72.22 H new ATOM 0 HG12 VAL A 65 10.677 -2.064 -3.088 1.00 72.22 H new ATOM 0 HG13 VAL A 65 12.262 -1.587 -3.741 1.00 72.22 H new ATOM 0 HG21 VAL A 65 11.616 1.459 -4.109 1.00 52.32 H new ATOM 0 HG22 VAL A 65 12.385 0.461 -5.366 1.00 52.32 H new ATOM 0 HG23 VAL A 65 10.882 1.342 -5.726 1.00 52.32 H new ATOM 942 N SER A 66 10.166 -3.697 -5.540 1.00 33.24 N ATOM 943 CA SER A 66 9.538 -4.918 -5.156 1.00 63.33 C ATOM 944 C SER A 66 9.681 -5.059 -3.671 1.00 33.43 C ATOM 945 O SER A 66 10.773 -5.316 -3.150 1.00 35.05 O ATOM 946 CB SER A 66 10.164 -6.152 -5.830 1.00 44.34 C ATOM 947 OG SER A 66 10.087 -6.031 -7.258 1.00 64.12 O ATOM 0 H SER A 66 11.072 -3.813 -5.994 1.00 33.24 H new ATOM 0 HA SER A 66 8.495 -4.874 -5.470 1.00 63.33 H new ATOM 0 HB2 SER A 66 11.205 -6.254 -5.522 1.00 44.34 H new ATOM 0 HB3 SER A 66 9.645 -7.054 -5.506 1.00 44.34 H new ATOM 0 HG SER A 66 10.490 -6.821 -7.675 1.00 64.12 H new ATOM 953 N LEU A 67 8.565 -4.870 -2.966 1.00 32.44 N ATOM 954 CA LEU A 67 8.532 -4.994 -1.511 1.00 71.15 C ATOM 955 C LEU A 67 8.469 -6.455 -1.116 1.00 53.22 C ATOM 956 O LEU A 67 8.538 -6.762 0.067 1.00 53.55 O ATOM 957 CB LEU A 67 7.292 -4.317 -0.868 1.00 71.20 C ATOM 958 CG LEU A 67 7.512 -2.862 -0.422 1.00 13.11 C ATOM 959 CD1 LEU A 67 8.557 -2.744 0.701 1.00 10.21 C ATOM 960 CD2 LEU A 67 7.782 -1.903 -1.574 1.00 62.35 C ATOM 0 H LEU A 67 7.667 -4.629 -3.384 1.00 32.44 H new ATOM 0 HA LEU A 67 9.438 -4.503 -1.155 1.00 71.15 H new ATOM 0 HB2 LEU A 67 6.470 -4.343 -1.583 1.00 71.20 H new ATOM 0 HB3 LEU A 67 6.982 -4.904 -0.004 1.00 71.20 H new ATOM 0 HG LEU A 67 6.560 -2.542 0.001 1.00 13.11 H new ATOM 0 HD11 LEU A 67 8.675 -1.697 0.979 1.00 10.21 H new ATOM 0 HD12 LEU A 67 8.225 -3.315 1.568 1.00 10.21 H new ATOM 0 HD13 LEU A 67 9.512 -3.137 0.352 1.00 10.21 H new ATOM 0 HD21 LEU A 67 7.927 -0.896 -1.183 1.00 62.35 H new ATOM 0 HD22 LEU A 67 8.679 -2.218 -2.107 1.00 62.35 H new ATOM 0 HD23 LEU A 67 6.933 -1.908 -2.258 1.00 62.35 H new ATOM 972 N GLU A 68 8.322 -7.407 -2.077 1.00 21.54 N ATOM 973 CA GLU A 68 8.202 -8.812 -1.694 1.00 52.32 C ATOM 974 C GLU A 68 9.469 -9.233 -0.972 1.00 43.21 C ATOM 975 O GLU A 68 10.578 -8.790 -1.307 1.00 1.14 O ATOM 976 CB GLU A 68 7.972 -9.810 -2.872 1.00 61.41 C ATOM 977 CG GLU A 68 6.557 -9.770 -3.512 1.00 74.54 C ATOM 978 CD GLU A 68 6.421 -8.606 -4.475 1.00 22.10 C ATOM 979 OE1 GLU A 68 7.353 -7.785 -4.586 1.00 3.43 O ATOM 980 OE2 GLU A 68 5.376 -8.519 -5.149 1.00 74.31 O ATOM 0 H GLU A 68 8.286 -7.224 -3.080 1.00 21.54 H new ATOM 0 HA GLU A 68 7.311 -8.864 -1.068 1.00 52.32 H new ATOM 0 HB2 GLU A 68 8.709 -9.606 -3.648 1.00 61.41 H new ATOM 0 HB3 GLU A 68 8.161 -10.821 -2.511 1.00 61.41 H new ATOM 0 HG2 GLU A 68 6.367 -10.705 -4.039 1.00 74.54 H new ATOM 0 HG3 GLU A 68 5.803 -9.687 -2.729 1.00 74.54 H new ATOM 987 N GLY A 69 9.310 -10.084 0.058 1.00 34.04 N ATOM 988 CA GLY A 69 10.443 -10.585 0.821 1.00 51.43 C ATOM 989 C GLY A 69 10.818 -9.606 1.912 1.00 44.21 C ATOM 990 O GLY A 69 11.443 -9.990 2.900 1.00 54.25 O ATOM 0 H GLY A 69 8.404 -10.433 0.373 1.00 34.04 H new ATOM 0 HA2 GLY A 69 10.195 -11.551 1.260 1.00 51.43 H new ATOM 0 HA3 GLY A 69 11.294 -10.745 0.159 1.00 51.43 H new ATOM 994 N ALA A 70 10.494 -8.298 1.740 1.00 22.03 N ATOM 995 CA ALA A 70 10.896 -7.290 2.715 1.00 62.42 C ATOM 996 C ALA A 70 10.086 -7.475 3.969 1.00 23.11 C ATOM 997 O ALA A 70 9.089 -8.174 3.978 1.00 55.34 O ATOM 998 CB ALA A 70 10.712 -5.834 2.235 1.00 44.11 C ATOM 0 H ALA A 70 9.965 -7.937 0.946 1.00 22.03 H new ATOM 0 HA ALA A 70 11.963 -7.438 2.881 1.00 62.42 H new ATOM 0 HB1 ALA A 70 11.034 -5.149 3.019 1.00 44.11 H new ATOM 0 HB2 ALA A 70 11.310 -5.668 1.339 1.00 44.11 H new ATOM 0 HB3 ALA A 70 9.661 -5.656 2.007 1.00 44.11 H new ATOM 1004 N THR A 71 10.547 -6.863 5.064 1.00 55.01 N ATOM 1005 CA THR A 71 9.881 -7.004 6.336 1.00 72.11 C ATOM 1006 C THR A 71 8.710 -6.044 6.378 1.00 64.12 C ATOM 1007 O THR A 71 8.610 -5.114 5.571 1.00 43.51 O ATOM 1008 CB THR A 71 10.803 -6.755 7.526 1.00 24.23 C ATOM 1009 OG1 THR A 71 11.636 -5.602 7.294 1.00 42.52 O ATOM 1010 CG2 THR A 71 11.693 -8.000 7.686 1.00 60.35 C ATOM 0 H THR A 71 11.377 -6.270 5.082 1.00 55.01 H new ATOM 0 HA THR A 71 9.543 -8.037 6.421 1.00 72.11 H new ATOM 0 HB THR A 71 10.211 -6.570 8.423 1.00 24.23 H new ATOM 0 HG1 THR A 71 12.219 -5.458 8.069 1.00 42.52 H new ATOM 0 HG21 THR A 71 12.368 -7.859 8.530 1.00 60.35 H new ATOM 0 HG22 THR A 71 11.067 -8.874 7.865 1.00 60.35 H new ATOM 0 HG23 THR A 71 12.275 -8.150 6.777 1.00 60.35 H new ATOM 1018 N HIS A 72 7.787 -6.291 7.344 1.00 30.02 N ATOM 1019 CA HIS A 72 6.570 -5.502 7.476 1.00 62.14 C ATOM 1020 C HIS A 72 6.941 -4.081 7.755 1.00 60.32 C ATOM 1021 O HIS A 72 6.398 -3.164 7.161 1.00 5.52 O ATOM 1022 CB HIS A 72 5.592 -6.008 8.591 1.00 72.05 C ATOM 1023 CG HIS A 72 6.086 -5.828 10.011 1.00 2.31 C ATOM 1024 ND1 HIS A 72 5.776 -4.726 10.767 1.00 34.55 N ATOM 1025 CD2 HIS A 72 6.864 -6.616 10.760 1.00 33.04 C ATOM 1026 CE1 HIS A 72 6.367 -4.854 11.950 1.00 62.34 C ATOM 1027 NE2 HIS A 72 7.036 -5.998 11.956 1.00 33.25 N ATOM 0 H HIS A 72 7.878 -7.035 8.036 1.00 30.02 H new ATOM 0 HA HIS A 72 6.033 -5.602 6.533 1.00 62.14 H new ATOM 0 HB2 HIS A 72 4.642 -5.484 8.484 1.00 72.05 H new ATOM 0 HB3 HIS A 72 5.392 -7.066 8.424 1.00 72.05 H new ATOM 0 HD2 HIS A 72 7.279 -7.569 10.467 1.00 33.04 H new ATOM 0 HE1 HIS A 72 6.312 -4.148 12.765 1.00 62.34 H new ATOM 0 HE2 HIS A 72 7.590 -6.356 12.734 1.00 33.25 H new ATOM 1036 N LYS A 73 7.911 -3.868 8.683 1.00 54.35 N ATOM 1037 CA LYS A 73 8.279 -2.522 9.057 1.00 5.35 C ATOM 1038 C LYS A 73 8.940 -1.830 7.896 1.00 31.22 C ATOM 1039 O LYS A 73 8.805 -0.631 7.745 1.00 72.34 O ATOM 1040 CB LYS A 73 9.133 -2.401 10.353 1.00 71.24 C ATOM 1041 CG LYS A 73 10.615 -2.799 10.252 1.00 12.30 C ATOM 1042 CD LYS A 73 11.544 -1.634 9.837 1.00 53.22 C ATOM 1043 CE LYS A 73 13.030 -1.856 10.197 1.00 31.20 C ATOM 1044 NZ LYS A 73 13.827 -0.615 9.981 1.00 51.21 N ATOM 0 H LYS A 73 8.427 -4.606 9.162 1.00 54.35 H new ATOM 0 HA LYS A 73 7.345 -2.020 9.309 1.00 5.35 H new ATOM 0 HB2 LYS A 73 9.082 -1.368 10.697 1.00 71.24 H new ATOM 0 HB3 LYS A 73 8.669 -3.017 11.123 1.00 71.24 H new ATOM 0 HG2 LYS A 73 10.944 -3.189 11.215 1.00 12.30 H new ATOM 0 HG3 LYS A 73 10.716 -3.608 9.529 1.00 12.30 H new ATOM 0 HD2 LYS A 73 11.460 -1.482 8.761 1.00 53.22 H new ATOM 0 HD3 LYS A 73 11.198 -0.718 10.316 1.00 53.22 H new ATOM 0 HE2 LYS A 73 13.112 -2.168 11.238 1.00 31.20 H new ATOM 0 HE3 LYS A 73 13.438 -2.664 9.589 1.00 31.20 H new ATOM 0 HZ1 LYS A 73 14.702 -0.662 10.541 1.00 51.21 H new ATOM 0 HZ2 LYS A 73 14.066 -0.527 8.973 1.00 51.21 H new ATOM 0 HZ3 LYS A 73 13.270 0.211 10.278 1.00 51.21 H new ATOM 1058 N GLN A 74 9.661 -2.590 7.008 1.00 73.23 N ATOM 1059 CA GLN A 74 10.333 -1.995 5.861 1.00 10.54 C ATOM 1060 C GLN A 74 9.290 -1.443 4.930 1.00 1.45 C ATOM 1061 O GLN A 74 9.486 -0.400 4.332 1.00 22.20 O ATOM 1062 CB GLN A 74 11.173 -3.040 5.063 1.00 32.43 C ATOM 1063 CG GLN A 74 12.045 -2.443 3.938 1.00 54.40 C ATOM 1064 CD GLN A 74 13.085 -1.537 4.578 1.00 61.10 C ATOM 1065 OE1 GLN A 74 13.583 -1.826 5.677 1.00 15.52 O ATOM 1066 NE2 GLN A 74 13.423 -0.427 3.912 1.00 61.42 N ATOM 0 H GLN A 74 9.775 -3.601 7.085 1.00 73.23 H new ATOM 0 HA GLN A 74 11.004 -1.222 6.234 1.00 10.54 H new ATOM 0 HB2 GLN A 74 11.819 -3.575 5.759 1.00 32.43 H new ATOM 0 HB3 GLN A 74 10.495 -3.775 4.628 1.00 32.43 H new ATOM 0 HG2 GLN A 74 12.530 -3.237 3.370 1.00 54.40 H new ATOM 0 HG3 GLN A 74 11.429 -1.880 3.237 1.00 54.40 H new ATOM 0 HE21 GLN A 74 12.992 -0.222 3.010 1.00 61.42 H new ATOM 0 HE22 GLN A 74 14.111 0.214 4.306 1.00 61.42 H new ATOM 1075 N ALA A 75 8.137 -2.141 4.815 1.00 31.12 N ATOM 1076 CA ALA A 75 7.037 -1.698 3.954 1.00 50.13 C ATOM 1077 C ALA A 75 6.568 -0.337 4.432 1.00 14.43 C ATOM 1078 O ALA A 75 6.208 0.520 3.630 1.00 21.43 O ATOM 1079 CB ALA A 75 5.836 -2.662 3.971 1.00 4.51 C ATOM 0 H ALA A 75 7.952 -3.013 5.311 1.00 31.12 H new ATOM 0 HA ALA A 75 7.415 -1.663 2.932 1.00 50.13 H new ATOM 0 HB1 ALA A 75 5.054 -2.280 3.315 1.00 4.51 H new ATOM 0 HB2 ALA A 75 6.154 -3.645 3.623 1.00 4.51 H new ATOM 0 HB3 ALA A 75 5.449 -2.744 4.987 1.00 4.51 H new ATOM 1085 N VAL A 76 6.619 -0.101 5.765 1.00 4.30 N ATOM 1086 CA VAL A 76 6.221 1.176 6.325 1.00 42.13 C ATOM 1087 C VAL A 76 7.294 2.185 5.948 1.00 15.03 C ATOM 1088 O VAL A 76 6.988 3.234 5.381 1.00 64.05 O ATOM 1089 CB VAL A 76 6.068 1.153 7.851 1.00 1.41 C ATOM 1090 CG1 VAL A 76 5.557 2.533 8.332 1.00 44.22 C ATOM 1091 CG2 VAL A 76 5.109 0.000 8.232 1.00 75.34 C ATOM 0 H VAL A 76 6.932 -0.785 6.454 1.00 4.30 H new ATOM 0 HA VAL A 76 5.241 1.434 5.924 1.00 42.13 H new ATOM 0 HB VAL A 76 7.023 0.972 8.343 1.00 1.41 H new ATOM 0 HG11 VAL A 76 5.446 2.522 9.416 1.00 44.22 H new ATOM 0 HG12 VAL A 76 6.272 3.305 8.048 1.00 44.22 H new ATOM 0 HG13 VAL A 76 4.592 2.745 7.871 1.00 44.22 H new ATOM 0 HG21 VAL A 76 4.989 -0.031 9.315 1.00 75.34 H new ATOM 0 HG22 VAL A 76 4.138 0.164 7.764 1.00 75.34 H new ATOM 0 HG23 VAL A 76 5.523 -0.947 7.886 1.00 75.34 H new ATOM 1101 N CYS A 77 8.603 1.858 6.280 1.00 4.10 N ATOM 1102 CA CYS A 77 9.753 2.839 6.038 1.00 31.45 C ATOM 1103 C CYS A 77 9.708 3.278 4.564 1.00 3.21 C ATOM 1104 O CYS A 77 10.294 4.245 4.167 1.00 54.11 O ATOM 1105 CB CYS A 77 11.156 2.201 6.268 1.00 15.42 C ATOM 1106 SG CYS A 77 11.303 1.334 7.866 1.00 42.53 S ATOM 0 H CYS A 77 8.883 0.970 6.695 1.00 4.10 H new ATOM 0 HA CYS A 77 9.624 3.663 6.740 1.00 31.45 H new ATOM 0 HB2 CYS A 77 11.364 1.498 5.461 1.00 15.42 H new ATOM 0 HB3 CYS A 77 11.915 2.981 6.215 1.00 15.42 H new ATOM 1111 N THR A 78 9.196 2.381 3.707 1.00 72.45 N ATOM 1112 CA THR A 78 9.240 2.604 2.284 1.00 2.11 C ATOM 1113 C THR A 78 8.287 3.730 1.971 1.00 51.04 C ATOM 1114 O THR A 78 8.689 4.738 1.423 1.00 44.13 O ATOM 1115 CB THR A 78 8.888 1.375 1.473 1.00 2.43 C ATOM 1116 OG1 THR A 78 9.778 0.315 1.829 1.00 53.02 O ATOM 1117 CG2 THR A 78 9.062 1.697 -0.031 1.00 54.04 C ATOM 0 H THR A 78 8.753 1.506 3.988 1.00 72.45 H new ATOM 0 HA THR A 78 10.263 2.855 2.005 1.00 2.11 H new ATOM 0 HB THR A 78 7.858 1.079 1.672 1.00 2.43 H new ATOM 0 HG1 THR A 78 9.527 -0.042 2.706 1.00 53.02 H new ATOM 0 HG21 THR A 78 8.811 0.817 -0.623 1.00 54.04 H new ATOM 0 HG22 THR A 78 8.402 2.520 -0.306 1.00 54.04 H new ATOM 0 HG23 THR A 78 10.096 1.981 -0.225 1.00 54.04 H new ATOM 1125 N LEU A 79 6.995 3.580 2.376 1.00 32.14 N ATOM 1126 CA LEU A 79 5.971 4.597 2.108 1.00 34.33 C ATOM 1127 C LEU A 79 6.437 5.932 2.671 1.00 3.23 C ATOM 1128 O LEU A 79 6.531 6.910 1.960 1.00 31.32 O ATOM 1129 CB LEU A 79 4.591 4.247 2.723 1.00 73.14 C ATOM 1130 CG LEU A 79 4.020 2.881 2.256 1.00 2.14 C ATOM 1131 CD1 LEU A 79 2.688 2.537 2.950 1.00 33.52 C ATOM 1132 CD2 LEU A 79 3.932 2.749 0.719 1.00 40.30 C ATOM 0 H LEU A 79 6.652 2.765 2.885 1.00 32.14 H new ATOM 0 HA LEU A 79 5.841 4.644 1.027 1.00 34.33 H new ATOM 0 HB2 LEU A 79 4.680 4.240 3.809 1.00 73.14 H new ATOM 0 HB3 LEU A 79 3.881 5.033 2.467 1.00 73.14 H new ATOM 0 HG LEU A 79 4.745 2.133 2.575 1.00 2.14 H new ATOM 0 HD11 LEU A 79 2.329 1.573 2.590 1.00 33.52 H new ATOM 0 HD12 LEU A 79 2.841 2.488 4.028 1.00 33.52 H new ATOM 0 HD13 LEU A 79 1.950 3.307 2.723 1.00 33.52 H new ATOM 0 HD21 LEU A 79 3.525 1.771 0.460 1.00 40.30 H new ATOM 0 HD22 LEU A 79 3.281 3.529 0.323 1.00 40.30 H new ATOM 0 HD23 LEU A 79 4.927 2.853 0.287 1.00 40.30 H new ATOM 1144 N ARG A 80 6.760 5.957 3.976 1.00 13.15 N ATOM 1145 CA ARG A 80 7.290 7.177 4.639 1.00 24.33 C ATOM 1146 C ARG A 80 8.397 7.866 3.817 1.00 71.13 C ATOM 1147 O ARG A 80 8.455 9.096 3.789 1.00 62.40 O ATOM 1148 CB ARG A 80 7.892 6.911 6.036 1.00 21.11 C ATOM 1149 CG ARG A 80 6.904 6.316 7.048 1.00 20.11 C ATOM 1150 CD ARG A 80 7.500 6.206 8.465 1.00 22.34 C ATOM 1151 NE ARG A 80 7.866 7.604 8.920 1.00 44.51 N ATOM 1152 CZ ARG A 80 7.023 8.382 9.695 1.00 60.44 C ATOM 1153 NH1 ARG A 80 5.838 7.880 10.164 1.00 73.25 N ATOM 1154 NH2 ARG A 80 7.385 9.672 9.988 1.00 15.22 N ATOM 0 H ARG A 80 6.666 5.153 4.597 1.00 13.15 H new ATOM 0 HA ARG A 80 6.411 7.816 4.726 1.00 24.33 H new ATOM 0 HB2 ARG A 80 8.738 6.232 5.930 1.00 21.11 H new ATOM 0 HB3 ARG A 80 8.282 7.847 6.435 1.00 21.11 H new ATOM 0 HG2 ARG A 80 6.008 6.935 7.082 1.00 20.11 H new ATOM 0 HG3 ARG A 80 6.595 5.327 6.710 1.00 20.11 H new ATOM 0 HD2 ARG A 80 6.780 5.757 9.149 1.00 22.34 H new ATOM 0 HD3 ARG A 80 8.380 5.562 8.461 1.00 22.34 H new ATOM 0 HE ARG A 80 8.770 7.987 8.644 1.00 44.51 H new ATOM 0 HH11 ARG A 80 5.567 6.922 9.943 1.00 73.25 H new ATOM 0 HH12 ARG A 80 5.227 8.464 10.734 1.00 73.25 H new ATOM 0 HH21 ARG A 80 8.266 10.047 9.636 1.00 15.22 H new ATOM 0 HH22 ARG A 80 6.773 10.256 10.558 1.00 15.22 H new ATOM 1168 N ASN A 81 9.288 7.110 3.148 1.00 1.50 N ATOM 1169 CA ASN A 81 10.424 7.742 2.445 1.00 62.34 C ATOM 1170 C ASN A 81 10.040 8.072 1.017 1.00 1.02 C ATOM 1171 O ASN A 81 10.901 8.472 0.242 1.00 65.44 O ATOM 1172 CB ASN A 81 11.699 6.848 2.370 1.00 12.42 C ATOM 1173 CG ASN A 81 12.466 6.977 3.678 1.00 3.11 C ATOM 1174 OD1 ASN A 81 13.126 8.002 3.929 1.00 41.52 O ATOM 1175 ND2 ASN A 81 12.400 5.951 4.534 1.00 13.10 N ATOM 0 H ASN A 81 9.249 6.093 3.079 1.00 1.50 H new ATOM 0 HA ASN A 81 10.656 8.632 3.030 1.00 62.34 H new ATOM 0 HB2 ASN A 81 11.421 5.808 2.196 1.00 12.42 H new ATOM 0 HB3 ASN A 81 12.326 7.155 1.533 1.00 12.42 H new ATOM 0 HD21 ASN A 81 12.900 5.995 5.422 1.00 13.10 H new ATOM 0 HD22 ASN A 81 11.850 5.125 4.298 1.00 13.10 H new ATOM 1182 N THR A 82 8.763 7.934 0.625 1.00 61.41 N ATOM 1183 CA THR A 82 8.397 8.227 -0.760 1.00 21.52 C ATOM 1184 C THR A 82 8.391 9.738 -0.977 1.00 33.10 C ATOM 1185 O THR A 82 8.385 10.533 -0.013 1.00 50.31 O ATOM 1186 CB THR A 82 7.061 7.648 -1.194 1.00 21.14 C ATOM 1187 OG1 THR A 82 5.998 8.049 -0.314 1.00 63.14 O ATOM 1188 CG2 THR A 82 7.169 6.117 -1.234 1.00 54.14 C ATOM 0 H THR A 82 7.996 7.633 1.226 1.00 61.41 H new ATOM 0 HA THR A 82 9.151 7.740 -1.379 1.00 21.52 H new ATOM 0 HB THR A 82 6.822 8.031 -2.186 1.00 21.14 H new ATOM 0 HG1 THR A 82 5.987 7.465 0.473 1.00 63.14 H new ATOM 0 HG21 THR A 82 6.214 5.693 -1.545 1.00 54.14 H new ATOM 0 HG22 THR A 82 7.944 5.825 -1.943 1.00 54.14 H new ATOM 0 HG23 THR A 82 7.426 5.744 -0.242 1.00 54.14 H new ATOM 1196 N GLY A 83 8.413 10.151 -2.267 1.00 0.34 N ATOM 1197 CA GLY A 83 8.419 11.556 -2.640 1.00 45.25 C ATOM 1198 C GLY A 83 7.015 12.089 -2.569 1.00 52.32 C ATOM 1199 O GLY A 83 6.165 11.547 -1.867 1.00 4.12 O ATOM 0 H GLY A 83 8.427 9.512 -3.062 1.00 0.34 H new ATOM 0 HA2 GLY A 83 9.070 12.120 -1.972 1.00 45.25 H new ATOM 0 HA3 GLY A 83 8.816 11.676 -3.648 1.00 45.25 H new ATOM 1203 N GLN A 84 6.756 13.211 -3.286 1.00 24.13 N ATOM 1204 CA GLN A 84 5.512 13.944 -3.135 1.00 51.32 C ATOM 1205 C GLN A 84 4.452 13.277 -3.961 1.00 24.32 C ATOM 1206 O GLN A 84 3.315 13.165 -3.532 1.00 62.32 O ATOM 1207 CB GLN A 84 5.597 15.472 -3.495 1.00 61.23 C ATOM 1208 CG GLN A 84 5.981 15.814 -4.959 1.00 30.44 C ATOM 1209 CD GLN A 84 7.395 15.338 -5.242 1.00 31.03 C ATOM 1210 OE1 GLN A 84 7.604 14.400 -6.013 1.00 11.44 O ATOM 1211 NE2 GLN A 84 8.387 15.972 -4.599 1.00 25.11 N ATOM 0 H GLN A 84 7.401 13.612 -3.967 1.00 24.13 H new ATOM 0 HA GLN A 84 5.266 13.917 -2.073 1.00 51.32 H new ATOM 0 HB2 GLN A 84 4.631 15.928 -3.279 1.00 61.23 H new ATOM 0 HB3 GLN A 84 6.325 15.939 -2.832 1.00 61.23 H new ATOM 0 HG2 GLN A 84 5.283 15.340 -5.649 1.00 30.44 H new ATOM 0 HG3 GLN A 84 5.909 16.889 -5.122 1.00 30.44 H new ATOM 0 HE21 GLN A 84 8.174 16.745 -3.968 1.00 25.11 H new ATOM 0 HE22 GLN A 84 9.354 15.681 -4.741 1.00 25.11 H new ATOM 1220 N VAL A 85 4.820 12.791 -5.156 1.00 63.11 N ATOM 1221 CA VAL A 85 3.904 12.008 -5.942 1.00 40.15 C ATOM 1222 C VAL A 85 4.520 10.662 -5.954 1.00 31.31 C ATOM 1223 O VAL A 85 5.730 10.526 -6.181 1.00 32.24 O ATOM 1224 CB VAL A 85 3.698 12.498 -7.375 1.00 64.24 C ATOM 1225 CG1 VAL A 85 2.783 11.497 -8.147 1.00 70.43 C ATOM 1226 CG2 VAL A 85 3.083 13.911 -7.293 1.00 22.35 C ATOM 0 H VAL A 85 5.737 12.933 -5.580 1.00 63.11 H new ATOM 0 HA VAL A 85 2.905 12.056 -5.508 1.00 40.15 H new ATOM 0 HB VAL A 85 4.638 12.549 -7.924 1.00 64.24 H new ATOM 0 HG11 VAL A 85 2.638 11.850 -9.168 1.00 70.43 H new ATOM 0 HG12 VAL A 85 3.254 10.514 -8.166 1.00 70.43 H new ATOM 0 HG13 VAL A 85 1.817 11.427 -7.647 1.00 70.43 H new ATOM 0 HG21 VAL A 85 2.921 14.296 -8.300 1.00 22.35 H new ATOM 0 HG22 VAL A 85 2.131 13.863 -6.765 1.00 22.35 H new ATOM 0 HG23 VAL A 85 3.763 14.573 -6.757 1.00 22.35 H new ATOM 1236 N VAL A 86 3.729 9.638 -5.633 1.00 52.12 N ATOM 1237 CA VAL A 86 4.243 8.330 -5.480 1.00 30.12 C ATOM 1238 C VAL A 86 3.479 7.505 -6.452 1.00 35.51 C ATOM 1239 O VAL A 86 2.290 7.710 -6.617 1.00 14.44 O ATOM 1240 CB VAL A 86 3.963 7.777 -4.083 1.00 43.11 C ATOM 1241 CG1 VAL A 86 4.765 6.473 -3.879 1.00 13.12 C ATOM 1242 CG2 VAL A 86 4.299 8.875 -3.044 1.00 73.12 C ATOM 0 H VAL A 86 2.724 9.719 -5.478 1.00 52.12 H new ATOM 0 HA VAL A 86 5.322 8.322 -5.634 1.00 30.12 H new ATOM 0 HB VAL A 86 2.912 7.518 -3.956 1.00 43.11 H new ATOM 0 HG11 VAL A 86 4.567 6.076 -2.883 1.00 13.12 H new ATOM 0 HG12 VAL A 86 4.465 5.740 -4.628 1.00 13.12 H new ATOM 0 HG13 VAL A 86 5.830 6.681 -3.982 1.00 13.12 H new ATOM 0 HG21 VAL A 86 4.105 8.498 -2.040 1.00 73.12 H new ATOM 0 HG22 VAL A 86 5.350 9.149 -3.132 1.00 73.12 H new ATOM 0 HG23 VAL A 86 3.679 9.752 -3.228 1.00 73.12 H new ATOM 1252 N HIS A 87 4.138 6.537 -7.104 1.00 64.51 N ATOM 1253 CA HIS A 87 3.413 5.558 -7.874 1.00 73.31 C ATOM 1254 C HIS A 87 3.368 4.366 -7.001 1.00 50.33 C ATOM 1255 O HIS A 87 4.400 3.840 -6.603 1.00 13.41 O ATOM 1256 CB HIS A 87 4.056 5.139 -9.218 1.00 62.31 C ATOM 1257 CG HIS A 87 3.858 6.158 -10.305 1.00 60.42 C ATOM 1258 ND1 HIS A 87 3.536 5.808 -11.596 1.00 2.51 N ATOM 1259 CD2 HIS A 87 3.956 7.507 -10.269 1.00 72.25 C ATOM 1260 CE1 HIS A 87 3.442 6.921 -12.314 1.00 63.41 C ATOM 1261 NE2 HIS A 87 3.688 7.963 -11.526 1.00 72.14 N ATOM 0 H HIS A 87 5.152 6.424 -7.105 1.00 64.51 H new ATOM 0 HA HIS A 87 2.451 5.989 -8.152 1.00 73.31 H new ATOM 0 HB2 HIS A 87 5.124 4.977 -9.069 1.00 62.31 H new ATOM 0 HB3 HIS A 87 3.631 4.188 -9.537 1.00 62.31 H new ATOM 0 HD1 HIS A 87 3.394 4.859 -11.941 1.00 2.51 H new ATOM 0 HD2 HIS A 87 4.201 8.110 -9.407 1.00 72.25 H new ATOM 0 HE1 HIS A 87 3.204 6.971 -13.366 1.00 63.41 H new ATOM 1270 N LEU A 88 2.167 3.952 -6.658 1.00 72.13 N ATOM 1271 CA LEU A 88 1.971 2.812 -5.825 1.00 21.50 C ATOM 1272 C LEU A 88 1.323 1.839 -6.713 1.00 72.42 C ATOM 1273 O LEU A 88 0.450 2.204 -7.493 1.00 30.05 O ATOM 1274 CB LEU A 88 1.040 3.096 -4.627 1.00 33.42 C ATOM 1275 CG LEU A 88 1.639 4.140 -3.659 1.00 11.12 C ATOM 1276 CD1 LEU A 88 0.577 4.819 -2.799 1.00 2.30 C ATOM 1277 CD2 LEU A 88 2.814 3.582 -2.830 1.00 34.43 C ATOM 0 H LEU A 88 1.304 4.406 -6.956 1.00 72.13 H new ATOM 0 HA LEU A 88 2.915 2.478 -5.395 1.00 21.50 H new ATOM 0 HB2 LEU A 88 0.077 3.453 -4.993 1.00 33.42 H new ATOM 0 HB3 LEU A 88 0.852 2.168 -4.087 1.00 33.42 H new ATOM 0 HG LEU A 88 2.065 4.923 -4.286 1.00 11.12 H new ATOM 0 HD11 LEU A 88 1.053 5.543 -2.137 1.00 2.30 H new ATOM 0 HD12 LEU A 88 -0.139 5.331 -3.442 1.00 2.30 H new ATOM 0 HD13 LEU A 88 0.058 4.069 -2.203 1.00 2.30 H new ATOM 0 HD21 LEU A 88 3.194 4.360 -2.168 1.00 34.43 H new ATOM 0 HD22 LEU A 88 2.470 2.736 -2.235 1.00 34.43 H new ATOM 0 HD23 LEU A 88 3.609 3.255 -3.500 1.00 34.43 H new ATOM 1289 N LEU A 89 1.784 0.597 -6.681 1.00 4.43 N ATOM 1290 CA LEU A 89 1.285 -0.383 -7.597 1.00 71.04 C ATOM 1291 C LEU A 89 0.458 -1.302 -6.790 1.00 54.13 C ATOM 1292 O LEU A 89 0.918 -1.806 -5.744 1.00 55.24 O ATOM 1293 CB LEU A 89 2.411 -1.186 -8.279 1.00 50.34 C ATOM 1294 CG LEU A 89 1.977 -1.958 -9.536 1.00 61.22 C ATOM 1295 CD1 LEU A 89 1.375 -1.037 -10.604 1.00 64.51 C ATOM 1296 CD2 LEU A 89 3.121 -2.780 -10.112 1.00 42.43 C ATOM 0 H LEU A 89 2.495 0.259 -6.033 1.00 4.43 H new ATOM 0 HA LEU A 89 0.729 0.109 -8.395 1.00 71.04 H new ATOM 0 HB2 LEU A 89 3.215 -0.501 -8.549 1.00 50.34 H new ATOM 0 HB3 LEU A 89 2.823 -1.893 -7.559 1.00 50.34 H new ATOM 0 HG LEU A 89 1.193 -2.646 -9.221 1.00 61.22 H new ATOM 0 HD11 LEU A 89 1.084 -1.628 -11.472 1.00 64.51 H new ATOM 0 HD12 LEU A 89 0.498 -0.533 -10.198 1.00 64.51 H new ATOM 0 HD13 LEU A 89 2.115 -0.294 -10.903 1.00 64.51 H new ATOM 0 HD21 LEU A 89 2.776 -3.312 -10.999 1.00 42.43 H new ATOM 0 HD22 LEU A 89 3.944 -2.119 -10.382 1.00 42.43 H new ATOM 0 HD23 LEU A 89 3.463 -3.499 -9.368 1.00 42.43 H new ATOM 1308 N LEU A 90 -0.797 -1.523 -7.208 1.00 2.44 N ATOM 1309 CA LEU A 90 -1.687 -2.328 -6.433 1.00 55.44 C ATOM 1310 C LEU A 90 -2.350 -3.253 -7.390 1.00 4.14 C ATOM 1311 O LEU A 90 -2.432 -2.982 -8.587 1.00 23.02 O ATOM 1312 CB LEU A 90 -2.797 -1.553 -5.658 1.00 70.31 C ATOM 1313 CG LEU A 90 -2.266 -0.713 -4.462 1.00 60.50 C ATOM 1314 CD1 LEU A 90 -1.717 0.666 -4.853 1.00 52.33 C ATOM 1315 CD2 LEU A 90 -3.279 -0.620 -3.319 1.00 15.33 C ATOM 0 H LEU A 90 -1.194 -1.151 -8.071 1.00 2.44 H new ATOM 0 HA LEU A 90 -1.090 -2.817 -5.663 1.00 55.44 H new ATOM 0 HB2 LEU A 90 -3.315 -0.891 -6.352 1.00 70.31 H new ATOM 0 HB3 LEU A 90 -3.533 -2.267 -5.289 1.00 70.31 H new ATOM 0 HG LEU A 90 -1.406 -1.271 -4.093 1.00 60.50 H new ATOM 0 HD11 LEU A 90 -1.368 1.185 -3.960 1.00 52.33 H new ATOM 0 HD12 LEU A 90 -0.887 0.543 -5.549 1.00 52.33 H new ATOM 0 HD13 LEU A 90 -2.505 1.250 -5.327 1.00 52.33 H new ATOM 0 HD21 LEU A 90 -2.860 -0.023 -2.509 1.00 15.33 H new ATOM 0 HD22 LEU A 90 -4.193 -0.150 -3.681 1.00 15.33 H new ATOM 0 HD23 LEU A 90 -3.507 -1.621 -2.952 1.00 15.33 H new ATOM 1327 N GLU A 91 -2.808 -4.393 -6.862 1.00 15.43 N ATOM 1328 CA GLU A 91 -3.541 -5.349 -7.629 1.00 41.43 C ATOM 1329 C GLU A 91 -4.847 -5.384 -6.941 1.00 21.01 C ATOM 1330 O GLU A 91 -4.889 -5.400 -5.709 1.00 53.25 O ATOM 1331 CB GLU A 91 -2.946 -6.795 -7.574 1.00 34.21 C ATOM 1332 CG GLU A 91 -3.716 -7.848 -8.422 1.00 51.15 C ATOM 1333 CD GLU A 91 -3.310 -9.245 -7.968 1.00 13.12 C ATOM 1334 OE1 GLU A 91 -2.568 -9.360 -6.960 1.00 32.03 O ATOM 1335 OE2 GLU A 91 -3.773 -10.237 -8.572 1.00 45.14 O ATOM 0 H GLU A 91 -2.669 -4.659 -5.887 1.00 15.43 H new ATOM 0 HA GLU A 91 -3.550 -5.067 -8.682 1.00 41.43 H new ATOM 0 HB2 GLU A 91 -1.911 -6.761 -7.915 1.00 34.21 H new ATOM 0 HB3 GLU A 91 -2.929 -7.127 -6.536 1.00 34.21 H new ATOM 0 HG2 GLU A 91 -4.791 -7.712 -8.305 1.00 51.15 H new ATOM 0 HG3 GLU A 91 -3.491 -7.716 -9.480 1.00 51.15 H new ATOM 1342 N LYS A 92 -5.945 -5.369 -7.708 1.00 55.01 N ATOM 1343 CA LYS A 92 -7.274 -5.395 -7.163 1.00 54.53 C ATOM 1344 C LYS A 92 -7.429 -6.648 -6.320 1.00 33.13 C ATOM 1345 O LYS A 92 -6.910 -7.717 -6.674 1.00 73.11 O ATOM 1346 CB LYS A 92 -8.325 -5.431 -8.309 1.00 25.33 C ATOM 1347 CG LYS A 92 -9.567 -4.574 -8.102 1.00 53.43 C ATOM 1348 CD LYS A 92 -10.589 -5.143 -7.110 1.00 42.30 C ATOM 1349 CE LYS A 92 -11.840 -4.263 -6.948 1.00 52.15 C ATOM 1350 NZ LYS A 92 -12.672 -4.256 -8.179 1.00 20.45 N ATOM 0 H LYS A 92 -5.917 -5.338 -8.727 1.00 55.01 H new ATOM 0 HA LYS A 92 -7.432 -4.501 -6.559 1.00 54.53 H new ATOM 0 HB2 LYS A 92 -7.839 -5.114 -9.232 1.00 25.33 H new ATOM 0 HB3 LYS A 92 -8.641 -6.464 -8.454 1.00 25.33 H new ATOM 0 HG2 LYS A 92 -9.256 -3.588 -7.755 1.00 53.43 H new ATOM 0 HG3 LYS A 92 -10.058 -4.433 -9.065 1.00 53.43 H new ATOM 0 HD2 LYS A 92 -10.893 -6.136 -7.442 1.00 42.30 H new ATOM 0 HD3 LYS A 92 -10.111 -5.265 -6.138 1.00 42.30 H new ATOM 0 HE2 LYS A 92 -12.434 -4.627 -6.110 1.00 52.15 H new ATOM 0 HE3 LYS A 92 -11.539 -3.244 -6.707 1.00 52.15 H new ATOM 0 HZ1 LYS A 92 -13.469 -3.600 -8.055 1.00 20.45 H new ATOM 0 HZ2 LYS A 92 -12.094 -3.950 -8.987 1.00 20.45 H new ATOM 0 HZ3 LYS A 92 -13.036 -5.214 -8.357 1.00 20.45 H new ATOM 1364 N GLY A 93 -8.134 -6.526 -5.200 1.00 24.45 N ATOM 1365 CA GLY A 93 -8.355 -7.659 -4.348 1.00 1.21 C ATOM 1366 C GLY A 93 -8.166 -7.210 -2.959 1.00 52.32 C ATOM 1367 O GLY A 93 -7.237 -7.654 -2.268 1.00 64.32 O ATOM 0 H GLY A 93 -8.554 -5.655 -4.874 1.00 24.45 H new ATOM 0 HA2 GLY A 93 -9.361 -8.055 -4.490 1.00 1.21 H new ATOM 0 HA3 GLY A 93 -7.659 -8.462 -4.590 1.00 1.21 H new ATOM 1371 N GLN A 94 -9.077 -6.331 -2.485 1.00 5.54 N ATOM 1372 CA GLN A 94 -9.082 -5.974 -1.090 1.00 60.41 C ATOM 1373 C GLN A 94 -9.673 -7.152 -0.378 1.00 62.41 C ATOM 1374 O GLN A 94 -10.721 -7.668 -0.791 1.00 73.35 O ATOM 1375 CB GLN A 94 -9.918 -4.703 -0.728 1.00 31.32 C ATOM 1376 CG GLN A 94 -11.363 -4.701 -1.285 1.00 63.25 C ATOM 1377 CD GLN A 94 -12.120 -3.526 -0.683 1.00 24.15 C ATOM 1378 OE1 GLN A 94 -13.092 -3.717 0.060 1.00 44.21 O ATOM 1379 NE2 GLN A 94 -11.684 -2.296 -0.983 1.00 13.41 N ATOM 0 H GLN A 94 -9.794 -5.877 -3.050 1.00 5.54 H new ATOM 0 HA GLN A 94 -8.060 -5.729 -0.801 1.00 60.41 H new ATOM 0 HB2 GLN A 94 -9.961 -4.609 0.357 1.00 31.32 H new ATOM 0 HB3 GLN A 94 -9.397 -3.822 -1.103 1.00 31.32 H new ATOM 0 HG2 GLN A 94 -11.348 -4.623 -2.372 1.00 63.25 H new ATOM 0 HG3 GLN A 94 -11.863 -5.638 -1.039 1.00 63.25 H new ATOM 0 HE21 GLN A 94 -10.880 -2.176 -1.599 1.00 13.41 H new ATOM 0 HE22 GLN A 94 -12.156 -1.479 -0.596 1.00 13.41 H new ATOM 1388 N SER A 95 -9.013 -7.636 0.680 1.00 4.21 N ATOM 1389 CA SER A 95 -9.510 -8.782 1.384 1.00 44.34 C ATOM 1390 C SER A 95 -10.470 -8.243 2.414 1.00 62.23 C ATOM 1391 O SER A 95 -10.349 -7.082 2.847 1.00 32.41 O ATOM 1392 CB SER A 95 -8.389 -9.548 2.134 1.00 14.32 C ATOM 1393 OG SER A 95 -7.378 -9.970 1.213 1.00 61.54 O ATOM 0 H SER A 95 -8.146 -7.245 1.050 1.00 4.21 H new ATOM 0 HA SER A 95 -9.963 -9.476 0.676 1.00 44.34 H new ATOM 0 HB2 SER A 95 -7.950 -8.908 2.899 1.00 14.32 H new ATOM 0 HB3 SER A 95 -8.809 -10.414 2.646 1.00 14.32 H new ATOM 0 HG SER A 95 -6.544 -9.490 1.400 1.00 61.54 H new ATOM 1399 N PRO A 96 -11.461 -9.058 2.784 1.00 42.43 N ATOM 1400 CA PRO A 96 -12.401 -8.721 3.842 1.00 74.12 C ATOM 1401 C PRO A 96 -11.711 -8.940 5.177 1.00 61.42 C ATOM 1402 O PRO A 96 -12.117 -9.854 5.915 1.00 35.33 O ATOM 1403 CB PRO A 96 -13.540 -9.738 3.639 1.00 24.21 C ATOM 1404 CG PRO A 96 -12.844 -10.979 3.038 1.00 2.10 C ATOM 1405 CD PRO A 96 -11.722 -10.382 2.189 1.00 44.04 C ATOM 0 HA PRO A 96 -12.760 -7.692 3.822 1.00 74.12 H new ATOM 0 HB2 PRO A 96 -14.033 -9.976 4.582 1.00 24.21 H new ATOM 0 HB3 PRO A 96 -14.306 -9.348 2.969 1.00 24.21 H new ATOM 0 HG2 PRO A 96 -12.453 -11.636 3.815 1.00 2.10 H new ATOM 0 HG3 PRO A 96 -13.531 -11.572 2.435 1.00 2.10 H new ATOM 0 HD2 PRO A 96 -10.831 -11.009 2.214 1.00 44.04 H new ATOM 0 HD3 PRO A 96 -12.021 -10.294 1.144 1.00 44.04 H new ATOM 1413 N THR A 97 -10.671 -8.162 5.494 1.00 53.11 N ATOM 1414 CA THR A 97 -9.953 -8.328 6.709 1.00 0.54 C ATOM 1415 C THR A 97 -10.225 -7.048 7.520 1.00 3.11 C ATOM 1416 O THR A 97 -9.996 -5.933 6.978 1.00 11.21 O ATOM 1417 CB THR A 97 -8.465 -8.447 6.457 1.00 62.31 C ATOM 1418 OG1 THR A 97 -8.050 -7.460 5.500 1.00 0.24 O ATOM 1419 CG2 THR A 97 -8.193 -9.854 5.885 1.00 31.32 C ATOM 0 H THR A 97 -10.324 -7.409 4.901 1.00 53.11 H new ATOM 0 HA THR A 97 -10.267 -9.235 7.225 1.00 0.54 H new ATOM 0 HB THR A 97 -7.914 -8.292 7.384 1.00 62.31 H new ATOM 0 HG1 THR A 97 -8.483 -6.605 5.703 1.00 0.24 H new ATOM 0 HG21 THR A 97 -7.126 -9.969 5.693 1.00 31.32 H new ATOM 0 HG22 THR A 97 -8.516 -10.607 6.604 1.00 31.32 H new ATOM 0 HG23 THR A 97 -8.745 -9.981 4.954 1.00 31.32 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 -0.184 1.851 11.664 1.00 0.34 C HETATM 1429 C2 33B A 101 0.985 1.048 12.258 1.00 53.04 C HETATM 1430 O2 33B A 101 0.959 -0.154 12.199 1.00 12.44 O HETATM 1431 N3 33B A 101 1.960 1.809 12.903 1.00 13.45 N HETATM 1432 C4 33B A 101 3.268 1.377 13.680 1.00 11.01 C HETATM 1433 C5 33B A 101 3.887 2.451 14.368 1.00 14.00 C HETATM 1434 C6 33B A 101 3.912 0.002 13.851 1.00 62.13 C HETATM 1435 S6 33B A 101 3.447 -1.543 13.013 1.00 13.31 S HETATM 1436 C7 33B A 101 4.973 2.271 15.208 1.00 21.13 C HETATM 1437 C8 33B A 101 5.030 -0.083 14.735 1.00 4.53 C HETATM 1438 C9 33B A 101 5.543 1.021 15.404 1.00 44.15 C HETATM 1439 N10 33B A 101 6.687 0.848 16.378 1.00 44.23 N HETATM 1440 N11 33B A 101 7.925 1.063 16.134 1.00 72.32 N HETATM 1441 C12 33B A 101 8.498 1.545 14.819 1.00 61.43 C HETATM 1442 C13 33B A 101 9.491 0.803 14.173 1.00 13.31 C HETATM 1443 C14 33B A 101 8.088 2.760 14.273 1.00 40.15 C HETATM 1444 C15 33B A 101 10.079 1.256 12.983 1.00 15.41 C HETATM 1445 C16 33B A 101 8.619 3.270 13.076 1.00 33.41 C HETATM 1446 C17 33B A 101 9.674 2.492 12.383 1.00 61.33 C HETATM 1447 S17 33B A 101 7.983 4.876 12.526 1.00 63.14 S HETATM 1448 N18 33B A 101 10.290 2.976 11.053 1.00 41.14 N HETATM 1449 C19 33B A 101 11.321 2.363 10.359 1.00 13.42 C HETATM 1450 O19 33B A 101 12.073 1.494 10.851 1.00 22.42 O HETATM 1451 C20 33B A 101 11.515 2.811 8.906 1.00 75.30 C HETATM 1452 O61 33B A 101 3.327 -1.205 11.620 1.00 21.43 O HETATM 1453 O62 33B A 101 4.563 -2.440 13.294 1.00 41.04 O HETATM 1454 O63 33B A 101 2.243 -1.942 13.686 1.00 73.01 O HETATM 1455 O71 33B A 101 8.693 5.181 11.314 1.00 64.45 O HETATM 1456 O72 33B A 101 6.572 4.618 12.352 1.00 55.35 O HETATM 1457 O73 33B A 101 8.298 5.739 13.659 1.00 65.12 O HETATM 0 HO72 33B A 101 6.124 5.436 12.051 1.00 55.35 H new HETATM 0 HO62 33B A 101 4.301 -3.362 13.091 1.00 41.04 H new HETATM 0 HN18 33B A 101 9.902 3.827 10.647 1.00 41.14 H new HETATM 0 HN3 33B A 101 1.802 2.816 12.867 1.00 13.45 H new HETATM 0 H8 33B A 101 5.500 -1.054 14.891 1.00 4.53 H new HETATM 0 H7 33B A 101 5.391 3.133 15.728 1.00 21.13 H new HETATM 0 H5 33B A 101 3.493 3.458 14.230 1.00 14.00 H new HETATM 0 H15 33B A 101 10.856 0.658 12.507 1.00 15.41 H new HETATM 0 H14 33B A 101 7.325 3.338 14.795 1.00 40.15 H new HETATM 0 H13 33B A 101 9.814 -0.145 14.602 1.00 13.31 H new