USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 721 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 13 LYS NZ :NH3+ -163:sc= 1.47 (180deg=0.887) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0.613 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -1 K(o=-1,f=-1.7) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 27 ASN : amide:sc= -3.47 K(o=-3.5,f=-7.7!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.8 K(o=-0.8,f=-0.13) USER MOD Single : A 36 TYR OH : rot 150:sc= -0.0322 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.42) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -7.03! C(o=-7!,f=-12!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -13.6! C(o=-14!,f=-14!) USER MOD Single : A 72 LYS NZ :NH3+ 141:sc= -0.343 (180deg=-1.22!) USER MOD Single : A 73 GLN : amide:sc= -2.05 K(o=-2,f=-3.2!) USER MOD Single : A 77 THR OG1 : rot 0:sc= -4.13! USER MOD Single : A 80 ASN : amide:sc= 0.847 K(o=0.85,f=-0.52) USER MOD Single : A 81 THR OG1 : rot -91:sc= -0.465! USER MOD Single : A 83 GLN : amide:sc= -0.305 K(o=-0.3,f=-2.2!) USER MOD Single : A 86 HIS : no HD1:sc= -0.759 X(o=-0.76,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -23.390 0.181 -5.901 1.00 15.00 N ATOM 2 CA PRO A 1 -22.293 1.107 -5.512 1.00 15.00 C ATOM 3 C PRO A 1 -21.962 0.999 -4.025 1.00 15.00 C ATOM 4 O PRO A 1 -22.699 1.501 -3.176 1.00 15.00 O ATOM 5 CB PRO A 1 -22.744 2.524 -5.855 1.00 15.00 C ATOM 6 CG PRO A 1 -24.025 2.335 -6.596 1.00 15.00 C ATOM 7 CD PRO A 1 -24.584 1.007 -6.145 1.00 15.00 C ATOM 0 H2 PRO A 1 -23.567 -0.500 -5.162 1.00 15.00 H new ATOM 0 H3 PRO A 1 -23.138 -0.346 -6.738 1.00 15.00 H new ATOM 0 HA PRO A 1 -21.384 0.845 -6.054 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -22.889 3.124 -4.956 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -22.004 3.040 -6.466 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -24.722 3.144 -6.379 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -23.856 2.340 -7.673 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -25.187 1.113 -5.243 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -25.226 0.565 -6.907 1.00 15.00 H new ATOM 17 N LYS A 2 -20.849 0.340 -3.719 1.00 15.00 N ATOM 18 CA LYS A 2 -20.418 0.165 -2.336 1.00 15.00 C ATOM 19 C LYS A 2 -18.908 -0.048 -2.262 1.00 15.00 C ATOM 20 O LYS A 2 -18.279 -0.430 -3.248 1.00 15.00 O ATOM 21 CB LYS A 2 -21.144 -1.024 -1.702 1.00 15.00 C ATOM 22 CG LYS A 2 -21.240 -2.237 -2.613 1.00 15.00 C ATOM 23 CD LYS A 2 -21.903 -3.411 -1.911 1.00 15.00 C ATOM 24 CE LYS A 2 -23.331 -3.615 -2.392 1.00 15.00 C ATOM 25 NZ LYS A 2 -24.143 -4.391 -1.413 1.00 15.00 N ATOM 0 H LYS A 2 -20.229 -0.082 -4.410 1.00 15.00 H new ATOM 0 HA LYS A 2 -20.668 1.071 -1.784 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -20.626 -1.308 -0.786 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -22.149 -0.714 -1.417 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -21.808 -1.978 -3.506 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -20.242 -2.526 -2.943 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -21.325 -4.317 -2.091 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -21.902 -3.240 -0.834 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -23.798 -2.645 -2.563 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -23.320 -4.137 -3.349 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -25.109 -4.508 -1.779 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -23.712 -5.326 -1.269 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -24.175 -3.881 -0.507 1.00 15.00 H new ATOM 39 N PRO A 3 -18.305 0.197 -1.085 1.00 15.00 N ATOM 40 CA PRO A 3 -16.862 0.029 -0.887 1.00 15.00 C ATOM 41 C PRO A 3 -16.394 -1.381 -1.230 1.00 15.00 C ATOM 42 O PRO A 3 -17.103 -2.136 -1.893 1.00 15.00 O ATOM 43 CB PRO A 3 -16.656 0.314 0.607 1.00 15.00 C ATOM 44 CG PRO A 3 -18.015 0.236 1.217 1.00 15.00 C ATOM 45 CD PRO A 3 -18.975 0.653 0.141 1.00 15.00 C ATOM 0 HA PRO A 3 -16.287 0.690 -1.536 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -15.981 -0.415 1.056 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -16.212 1.297 0.762 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -18.231 -0.775 1.562 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -18.092 0.892 2.084 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -19.952 0.185 0.266 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -19.136 1.731 0.137 1.00 15.00 H new ATOM 53 N GLY A 4 -15.192 -1.729 -0.781 1.00 15.00 N ATOM 54 CA GLY A 4 -14.654 -3.048 -1.060 1.00 15.00 C ATOM 55 C GLY A 4 -13.947 -3.115 -2.400 1.00 15.00 C ATOM 56 O GLY A 4 -13.173 -4.038 -2.655 1.00 15.00 O ATOM 0 H GLY A 4 -14.583 -1.124 -0.231 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -13.956 -3.327 -0.270 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.463 -3.778 -1.043 1.00 15.00 H new ATOM 60 N ASP A 5 -14.211 -2.134 -3.259 1.00 15.00 N ATOM 61 CA ASP A 5 -13.592 -2.085 -4.578 1.00 15.00 C ATOM 62 C ASP A 5 -12.083 -1.962 -4.465 1.00 15.00 C ATOM 63 O ASP A 5 -11.548 -1.620 -3.411 1.00 15.00 O ATOM 64 CB ASP A 5 -14.154 -0.914 -5.387 1.00 15.00 C ATOM 65 CG ASP A 5 -15.499 -1.233 -6.008 1.00 15.00 C ATOM 66 OD1 ASP A 5 -15.576 -2.201 -6.793 1.00 15.00 O ATOM 67 OD2 ASP A 5 -16.476 -0.515 -5.709 1.00 15.00 O ATOM 0 H ASP A 5 -14.850 -1.363 -3.064 1.00 15.00 H new ATOM 0 HA ASP A 5 -13.824 -3.017 -5.094 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -14.253 -0.043 -4.739 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -13.448 -0.647 -6.173 1.00 15.00 H new ATOM 72 N ILE A 6 -11.408 -2.261 -5.561 1.00 15.00 N ATOM 73 CA ILE A 6 -9.960 -2.209 -5.610 1.00 15.00 C ATOM 74 C ILE A 6 -9.478 -0.973 -6.364 1.00 15.00 C ATOM 75 O ILE A 6 -10.107 -0.535 -7.327 1.00 15.00 O ATOM 76 CB ILE A 6 -9.407 -3.481 -6.287 1.00 15.00 C ATOM 77 CG1 ILE A 6 -8.914 -4.473 -5.234 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.287 -3.146 -7.269 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.015 -5.003 -4.341 1.00 15.00 C ATOM 0 H ILE A 6 -11.847 -2.545 -6.437 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.590 -2.152 -4.586 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.219 -3.940 -6.851 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.428 -5.311 -5.735 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.158 -3.989 -4.616 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -7.919 -4.064 -7.729 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.669 -2.480 -8.043 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.472 -2.655 -6.738 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.593 -5.701 -3.618 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.486 -4.174 -3.813 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.761 -5.516 -4.948 1.00 15.00 H new ATOM 91 N PHE A 7 -8.347 -0.430 -5.931 1.00 15.00 N ATOM 92 CA PHE A 7 -7.769 0.738 -6.579 1.00 15.00 C ATOM 93 C PHE A 7 -6.251 0.607 -6.644 1.00 15.00 C ATOM 94 O PHE A 7 -5.667 -0.226 -5.956 1.00 15.00 O ATOM 95 CB PHE A 7 -8.171 2.022 -5.843 1.00 15.00 C ATOM 96 CG PHE A 7 -7.407 2.266 -4.571 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.108 2.748 -4.609 1.00 15.00 C ATOM 98 CD2 PHE A 7 -7.990 2.018 -3.339 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.406 2.977 -3.443 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.292 2.247 -2.169 1.00 15.00 C ATOM 101 CZ PHE A 7 -5.998 2.728 -2.222 1.00 15.00 C ATOM 0 H PHE A 7 -7.813 -0.780 -5.135 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.156 0.797 -7.596 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.025 2.871 -6.510 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.235 1.977 -5.612 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.640 2.947 -5.562 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.001 1.642 -3.293 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.394 3.351 -3.486 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.757 2.050 -1.214 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.451 2.909 -1.309 1.00 15.00 H new ATOM 111 N GLU A 8 -5.620 1.423 -7.478 1.00 15.00 N ATOM 112 CA GLU A 8 -4.170 1.379 -7.630 1.00 15.00 C ATOM 113 C GLU A 8 -3.550 2.765 -7.511 1.00 15.00 C ATOM 114 O GLU A 8 -4.108 3.757 -7.979 1.00 15.00 O ATOM 115 CB GLU A 8 -3.802 0.771 -8.980 1.00 15.00 C ATOM 116 CG GLU A 8 -4.500 1.432 -10.149 1.00 15.00 C ATOM 117 CD GLU A 8 -5.103 0.431 -11.115 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.346 -0.403 -11.656 1.00 15.00 O ATOM 119 OE2 GLU A 8 -6.332 0.480 -11.331 1.00 15.00 O ATOM 0 H GLU A 8 -6.086 2.121 -8.058 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.774 0.759 -6.826 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.724 0.845 -9.121 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.050 -0.290 -8.972 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.286 2.087 -9.774 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -3.788 2.062 -10.683 1.00 15.00 H new ATOM 126 N VAL A 9 -2.378 2.807 -6.897 1.00 15.00 N ATOM 127 CA VAL A 9 -1.635 4.048 -6.719 1.00 15.00 C ATOM 128 C VAL A 9 -0.521 4.122 -7.751 1.00 15.00 C ATOM 129 O VAL A 9 0.402 3.308 -7.741 1.00 15.00 O ATOM 130 CB VAL A 9 -1.051 4.178 -5.283 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.105 2.847 -4.546 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.377 4.715 -5.306 1.00 15.00 C ATOM 0 H VAL A 9 -1.915 1.985 -6.509 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.326 4.879 -6.860 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.672 4.895 -4.746 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.690 2.968 -3.545 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.140 2.514 -4.472 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.523 2.105 -5.092 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.753 4.793 -4.286 1.00 15.00 H new ATOM 0 HG22 VAL A 9 1.012 4.036 -5.876 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.388 5.700 -5.773 1.00 15.00 H new ATOM 142 N GLU A 10 -0.624 5.083 -8.654 1.00 15.00 N ATOM 143 CA GLU A 10 0.364 5.237 -9.707 1.00 15.00 C ATOM 144 C GLU A 10 1.280 6.431 -9.465 1.00 15.00 C ATOM 145 O GLU A 10 1.199 7.442 -10.165 1.00 15.00 O ATOM 146 CB GLU A 10 -0.340 5.372 -11.051 1.00 15.00 C ATOM 147 CG GLU A 10 0.606 5.584 -12.223 1.00 15.00 C ATOM 148 CD GLU A 10 0.433 6.942 -12.874 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.670 7.217 -13.392 1.00 15.00 O ATOM 150 OE2 GLU A 10 1.401 7.731 -12.867 1.00 15.00 O ATOM 0 H GLU A 10 -1.381 5.767 -8.679 1.00 15.00 H new ATOM 0 HA GLU A 10 0.993 4.347 -9.709 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.932 4.475 -11.232 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.037 6.209 -11.003 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.635 5.479 -11.878 1.00 15.00 H new ATOM 0 HG3 GLU A 10 0.438 4.805 -12.966 1.00 15.00 H new ATOM 157 N LEU A 11 2.170 6.298 -8.490 1.00 15.00 N ATOM 158 CA LEU A 11 3.122 7.356 -8.180 1.00 15.00 C ATOM 159 C LEU A 11 4.371 7.181 -9.036 1.00 15.00 C ATOM 160 O LEU A 11 4.561 6.133 -9.648 1.00 15.00 O ATOM 161 CB LEU A 11 3.491 7.335 -6.694 1.00 15.00 C ATOM 162 CG LEU A 11 3.623 8.712 -6.033 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.298 9.460 -6.067 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.116 8.569 -4.600 1.00 15.00 C ATOM 0 H LEU A 11 2.252 5.469 -7.901 1.00 15.00 H new ATOM 0 HA LEU A 11 2.663 8.320 -8.401 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.735 6.763 -6.157 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.435 6.803 -6.578 1.00 15.00 H new ATOM 0 HG LEU A 11 4.354 9.291 -6.597 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.418 10.434 -5.592 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.984 9.597 -7.102 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.542 8.886 -5.531 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.204 9.556 -4.145 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.407 7.969 -4.030 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.090 8.080 -4.597 1.00 15.00 H new ATOM 176 N ALA A 12 5.218 8.200 -9.088 1.00 15.00 N ATOM 177 CA ALA A 12 6.438 8.121 -9.886 1.00 15.00 C ATOM 178 C ALA A 12 7.630 7.709 -9.033 1.00 15.00 C ATOM 179 O ALA A 12 8.242 8.535 -8.356 1.00 15.00 O ATOM 180 CB ALA A 12 6.712 9.444 -10.578 1.00 15.00 C ATOM 0 H ALA A 12 5.087 9.083 -8.594 1.00 15.00 H new ATOM 0 HA ALA A 12 6.289 7.355 -10.647 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.625 9.364 -11.167 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.877 9.691 -11.234 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.830 10.228 -9.830 1.00 15.00 H new ATOM 186 N LYS A 13 7.949 6.421 -9.072 1.00 15.00 N ATOM 187 CA LYS A 13 9.063 5.877 -8.307 1.00 15.00 C ATOM 188 C LYS A 13 10.396 6.463 -8.769 1.00 15.00 C ATOM 189 O LYS A 13 11.338 6.579 -7.986 1.00 15.00 O ATOM 190 CB LYS A 13 9.086 4.352 -8.442 1.00 15.00 C ATOM 191 CG LYS A 13 9.610 3.636 -7.209 1.00 15.00 C ATOM 192 CD LYS A 13 11.023 4.073 -6.865 1.00 15.00 C ATOM 193 CE LYS A 13 11.029 5.085 -5.730 1.00 15.00 C ATOM 194 NZ LYS A 13 12.290 5.877 -5.698 1.00 15.00 N ATOM 0 H LYS A 13 7.447 5.730 -9.630 1.00 15.00 H new ATOM 0 HA LYS A 13 8.923 6.150 -7.261 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.076 4.000 -8.654 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.704 4.081 -9.298 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.951 3.836 -6.364 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.593 2.559 -7.378 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.616 3.203 -6.582 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.496 4.508 -7.745 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.180 5.759 -5.840 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.902 4.566 -4.780 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.387 6.338 -4.771 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 13.101 5.245 -5.857 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.264 6.601 -6.444 1.00 15.00 H new ATOM 208 N ASN A 14 10.471 6.828 -10.043 1.00 15.00 N ATOM 209 CA ASN A 14 11.696 7.391 -10.602 1.00 15.00 C ATOM 210 C ASN A 14 11.779 8.890 -10.339 1.00 15.00 C ATOM 211 O ASN A 14 12.868 9.441 -10.183 1.00 15.00 O ATOM 212 CB ASN A 14 11.767 7.121 -12.106 1.00 15.00 C ATOM 213 CG ASN A 14 13.097 7.535 -12.705 1.00 15.00 C ATOM 214 OD1 ASN A 14 14.106 6.850 -12.538 1.00 15.00 O ATOM 215 ND2 ASN A 14 13.104 8.662 -13.407 1.00 15.00 N ATOM 0 H ASN A 14 9.702 6.745 -10.707 1.00 15.00 H new ATOM 0 HA ASN A 14 12.542 6.909 -10.112 1.00 15.00 H new ATOM 0 HB2 ASN A 14 11.603 6.059 -12.290 1.00 15.00 H new ATOM 0 HB3 ASN A 14 10.962 7.659 -12.607 1.00 15.00 H new ATOM 0 HD21 ASN A 14 13.970 8.992 -13.834 1.00 15.00 H new ATOM 0 HD22 ASN A 14 12.244 9.198 -13.520 1.00 15.00 H new ATOM 222 N ASP A 15 10.625 9.544 -10.277 1.00 15.00 N ATOM 223 CA ASP A 15 10.581 10.977 -10.016 1.00 15.00 C ATOM 224 C ASP A 15 10.803 11.247 -8.533 1.00 15.00 C ATOM 225 O ASP A 15 11.454 12.221 -8.156 1.00 15.00 O ATOM 226 CB ASP A 15 9.239 11.561 -10.461 1.00 15.00 C ATOM 227 CG ASP A 15 8.973 11.340 -11.937 1.00 15.00 C ATOM 228 OD1 ASP A 15 9.261 10.231 -12.432 1.00 15.00 O ATOM 229 OD2 ASP A 15 8.475 12.277 -12.597 1.00 15.00 O ATOM 0 H ASP A 15 9.712 9.107 -10.403 1.00 15.00 H new ATOM 0 HA ASP A 15 11.376 11.458 -10.586 1.00 15.00 H new ATOM 0 HB2 ASP A 15 8.437 11.107 -9.878 1.00 15.00 H new ATOM 0 HB3 ASP A 15 9.222 12.630 -10.248 1.00 15.00 H new ATOM 234 N ASN A 16 10.259 10.368 -7.697 1.00 15.00 N ATOM 235 CA ASN A 16 10.393 10.495 -6.251 1.00 15.00 C ATOM 236 C ASN A 16 9.994 9.196 -5.556 1.00 15.00 C ATOM 237 O ASN A 16 9.229 8.400 -6.101 1.00 15.00 O ATOM 238 CB ASN A 16 9.530 11.650 -5.737 1.00 15.00 C ATOM 239 CG ASN A 16 10.311 12.944 -5.611 1.00 15.00 C ATOM 240 OD1 ASN A 16 10.285 13.788 -6.506 1.00 15.00 O ATOM 241 ND2 ASN A 16 11.012 13.105 -4.494 1.00 15.00 N ATOM 0 H ASN A 16 9.719 9.557 -7.999 1.00 15.00 H new ATOM 0 HA ASN A 16 11.438 10.704 -6.022 1.00 15.00 H new ATOM 0 HB2 ASN A 16 8.689 11.801 -6.414 1.00 15.00 H new ATOM 0 HB3 ASN A 16 9.113 11.384 -4.765 1.00 15.00 H new ATOM 0 HD21 ASN A 16 11.558 13.955 -4.352 1.00 15.00 H new ATOM 0 HD22 ASN A 16 11.005 12.379 -3.778 1.00 15.00 H new ATOM 248 N SER A 17 10.509 8.989 -4.349 1.00 15.00 N ATOM 249 CA SER A 17 10.195 7.789 -3.582 1.00 15.00 C ATOM 250 C SER A 17 8.908 7.992 -2.793 1.00 15.00 C ATOM 251 O SER A 17 8.140 8.906 -3.080 1.00 15.00 O ATOM 252 CB SER A 17 11.342 7.452 -2.627 1.00 15.00 C ATOM 253 OG SER A 17 11.876 6.169 -2.902 1.00 15.00 O ATOM 0 H SER A 17 11.145 9.635 -3.881 1.00 15.00 H new ATOM 0 HA SER A 17 10.060 6.960 -4.276 1.00 15.00 H new ATOM 0 HB2 SER A 17 12.127 8.203 -2.718 1.00 15.00 H new ATOM 0 HB3 SER A 17 10.984 7.487 -1.598 1.00 15.00 H new ATOM 0 HG SER A 17 12.608 5.979 -2.279 1.00 15.00 H new ATOM 259 N LEU A 18 8.676 7.149 -1.793 1.00 15.00 N ATOM 260 CA LEU A 18 7.479 7.271 -0.975 1.00 15.00 C ATOM 261 C LEU A 18 7.827 7.787 0.416 1.00 15.00 C ATOM 262 O LEU A 18 8.979 8.118 0.699 1.00 15.00 O ATOM 263 CB LEU A 18 6.746 5.929 -0.870 1.00 15.00 C ATOM 264 CG LEU A 18 6.388 5.281 -2.209 1.00 15.00 C ATOM 265 CD1 LEU A 18 7.532 4.412 -2.705 1.00 15.00 C ATOM 266 CD2 LEU A 18 5.111 4.464 -2.080 1.00 15.00 C ATOM 0 H LEU A 18 9.295 6.382 -1.532 1.00 15.00 H new ATOM 0 HA LEU A 18 6.817 7.989 -1.459 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.368 5.236 -0.303 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.830 6.076 -0.298 1.00 15.00 H new ATOM 0 HG LEU A 18 6.218 6.072 -2.940 1.00 15.00 H new ATOM 0 HD11 LEU A 18 7.259 3.960 -3.658 1.00 15.00 H new ATOM 0 HD12 LEU A 18 8.424 5.025 -2.837 1.00 15.00 H new ATOM 0 HD13 LEU A 18 7.735 3.627 -1.976 1.00 15.00 H new ATOM 0 HD21 LEU A 18 4.871 4.010 -3.041 1.00 15.00 H new ATOM 0 HD22 LEU A 18 5.253 3.681 -1.335 1.00 15.00 H new ATOM 0 HD23 LEU A 18 4.293 5.114 -1.771 1.00 15.00 H new ATOM 278 N GLY A 19 6.823 7.854 1.277 1.00 15.00 N ATOM 279 CA GLY A 19 7.029 8.333 2.629 1.00 15.00 C ATOM 280 C GLY A 19 5.912 7.910 3.549 1.00 15.00 C ATOM 281 O GLY A 19 5.386 8.716 4.309 1.00 15.00 O ATOM 0 H GLY A 19 5.863 7.584 1.062 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.977 7.952 3.009 1.00 15.00 H new ATOM 0 HA3 GLY A 19 7.102 9.421 2.622 1.00 15.00 H new ATOM 285 N ILE A 20 5.540 6.642 3.463 1.00 15.00 N ATOM 286 CA ILE A 20 4.471 6.098 4.283 1.00 15.00 C ATOM 287 C ILE A 20 4.998 5.079 5.288 1.00 15.00 C ATOM 288 O ILE A 20 5.799 4.209 4.946 1.00 15.00 O ATOM 289 CB ILE A 20 3.383 5.448 3.400 1.00 15.00 C ATOM 290 CG1 ILE A 20 2.012 5.976 3.798 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.419 3.936 3.516 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.875 5.023 3.514 1.00 15.00 C ATOM 0 H ILE A 20 5.967 5.967 2.828 1.00 15.00 H new ATOM 0 HA ILE A 20 4.033 6.928 4.837 1.00 15.00 H new ATOM 0 HB ILE A 20 3.580 5.710 2.360 1.00 15.00 H new ATOM 0 HG12 ILE A 20 2.020 6.208 4.863 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.828 6.911 3.270 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.643 3.504 2.884 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.394 3.570 3.195 1.00 15.00 H new ATOM 0 HG23 ILE A 20 3.246 3.646 4.552 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.066 5.476 3.827 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.837 4.810 2.446 1.00 15.00 H new ATOM 0 HD13 ILE A 20 1.032 4.095 4.064 1.00 15.00 H new ATOM 304 N SER A 21 4.510 5.168 6.516 1.00 15.00 N ATOM 305 CA SER A 21 4.895 4.229 7.555 1.00 15.00 C ATOM 306 C SER A 21 3.944 3.040 7.501 1.00 15.00 C ATOM 307 O SER A 21 2.789 3.139 7.915 1.00 15.00 O ATOM 308 CB SER A 21 4.855 4.902 8.930 1.00 15.00 C ATOM 309 OG SER A 21 5.141 3.973 9.961 1.00 15.00 O ATOM 0 H SER A 21 3.846 5.882 6.816 1.00 15.00 H new ATOM 0 HA SER A 21 5.917 3.888 7.391 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.578 5.718 8.960 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.871 5.341 9.095 1.00 15.00 H new ATOM 0 HG SER A 21 5.111 4.428 10.829 1.00 15.00 H new ATOM 315 N VAL A 22 4.417 1.930 6.941 1.00 15.00 N ATOM 316 CA VAL A 22 3.580 0.745 6.783 1.00 15.00 C ATOM 317 C VAL A 22 3.724 -0.233 7.941 1.00 15.00 C ATOM 318 O VAL A 22 4.786 -0.346 8.549 1.00 15.00 O ATOM 319 CB VAL A 22 3.911 0.007 5.468 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.894 0.969 4.293 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.262 -0.687 5.557 1.00 15.00 C ATOM 0 H VAL A 22 5.369 1.826 6.591 1.00 15.00 H new ATOM 0 HA VAL A 22 2.551 1.104 6.763 1.00 15.00 H new ATOM 0 HB VAL A 22 3.144 -0.752 5.310 1.00 15.00 H new ATOM 0 HG11 VAL A 22 4.130 0.428 3.377 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.905 1.418 4.205 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.635 1.752 4.453 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.471 -1.199 4.618 1.00 15.00 H new ATOM 0 HG22 VAL A 22 6.039 0.053 5.747 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.245 -1.413 6.370 1.00 15.00 H new ATOM 331 N THR A 23 2.638 -0.945 8.224 1.00 15.00 N ATOM 332 CA THR A 23 2.621 -1.934 9.291 1.00 15.00 C ATOM 333 C THR A 23 1.636 -3.060 8.962 1.00 15.00 C ATOM 334 O THR A 23 0.979 -3.036 7.918 1.00 15.00 O ATOM 335 CB THR A 23 2.268 -1.269 10.624 1.00 15.00 C ATOM 336 OG1 THR A 23 2.621 -2.105 11.712 1.00 15.00 O ATOM 337 CG2 THR A 23 0.803 -0.933 10.761 1.00 15.00 C ATOM 0 H THR A 23 1.754 -0.853 7.724 1.00 15.00 H new ATOM 0 HA THR A 23 3.615 -2.371 9.380 1.00 15.00 H new ATOM 0 HB THR A 23 2.837 -0.339 10.638 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.389 -1.661 12.554 1.00 15.00 H new ATOM 0 HG21 THR A 23 0.626 -0.465 11.729 1.00 15.00 H new ATOM 0 HG22 THR A 23 0.512 -0.246 9.967 1.00 15.00 H new ATOM 0 HG23 THR A 23 0.212 -1.846 10.686 1.00 15.00 H new ATOM 345 N GLY A 24 1.534 -4.044 9.853 1.00 15.00 N ATOM 346 CA GLY A 24 0.622 -5.154 9.627 1.00 15.00 C ATOM 347 C GLY A 24 1.214 -6.222 8.732 1.00 15.00 C ATOM 348 O GLY A 24 2.224 -6.836 9.074 1.00 15.00 O ATOM 0 H GLY A 24 2.064 -4.093 10.723 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.351 -5.597 10.585 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.298 -4.778 9.178 1.00 15.00 H new ATOM 352 N GLY A 25 0.589 -6.432 7.576 1.00 15.00 N ATOM 353 CA GLY A 25 1.076 -7.419 6.629 1.00 15.00 C ATOM 354 C GLY A 25 1.042 -8.841 7.157 1.00 15.00 C ATOM 355 O GLY A 25 0.309 -9.681 6.636 1.00 15.00 O ATOM 0 H GLY A 25 -0.250 -5.933 7.278 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.477 -7.364 5.720 1.00 15.00 H new ATOM 0 HA3 GLY A 25 2.100 -7.169 6.351 1.00 15.00 H new ATOM 359 N VAL A 26 1.856 -9.109 8.178 1.00 15.00 N ATOM 360 CA VAL A 26 1.959 -10.440 8.790 1.00 15.00 C ATOM 361 C VAL A 26 0.681 -11.261 8.630 1.00 15.00 C ATOM 362 O VAL A 26 -0.427 -10.739 8.750 1.00 15.00 O ATOM 363 CB VAL A 26 2.309 -10.348 10.290 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.790 -10.614 10.511 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.918 -8.989 10.850 1.00 15.00 C ATOM 0 H VAL A 26 2.464 -8.411 8.607 1.00 15.00 H new ATOM 0 HA VAL A 26 2.763 -10.947 8.257 1.00 15.00 H new ATOM 0 HB VAL A 26 1.741 -11.112 10.821 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.017 -10.545 11.575 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.038 -11.613 10.151 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.378 -9.876 9.966 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.173 -8.945 11.909 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.455 -8.206 10.314 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.845 -8.841 10.729 1.00 15.00 H new ATOM 375 N ASN A 27 0.853 -12.551 8.357 1.00 15.00 N ATOM 376 CA ASN A 27 -0.274 -13.457 8.176 1.00 15.00 C ATOM 377 C ASN A 27 -0.878 -13.852 9.522 1.00 15.00 C ATOM 378 O ASN A 27 -0.955 -15.035 9.858 1.00 15.00 O ATOM 379 CB ASN A 27 0.176 -14.707 7.417 1.00 15.00 C ATOM 380 CG ASN A 27 -0.948 -15.707 7.219 1.00 15.00 C ATOM 381 OD1 ASN A 27 -2.067 -15.501 7.686 1.00 15.00 O ATOM 382 ND2 ASN A 27 -0.652 -16.799 6.522 1.00 15.00 N ATOM 0 H ASN A 27 1.767 -12.993 8.256 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.039 -12.940 7.596 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.572 -14.414 6.445 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.990 -15.185 7.962 1.00 15.00 H new ATOM 0 HD21 ASN A 27 -1.367 -17.507 6.356 1.00 15.00 H new ATOM 0 HD22 ASN A 27 0.290 -16.929 6.153 1.00 15.00 H new ATOM 389 N THR A 28 -1.304 -12.856 10.289 1.00 15.00 N ATOM 390 CA THR A 28 -1.901 -13.097 11.597 1.00 15.00 C ATOM 391 C THR A 28 -2.889 -11.992 11.952 1.00 15.00 C ATOM 392 O THR A 28 -4.079 -12.245 12.139 1.00 15.00 O ATOM 393 CB THR A 28 -0.815 -13.191 12.669 1.00 15.00 C ATOM 394 OG1 THR A 28 0.270 -13.982 12.216 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.307 -13.790 13.970 1.00 15.00 C ATOM 0 H THR A 28 -1.247 -11.872 10.027 1.00 15.00 H new ATOM 0 HA THR A 28 -2.440 -14.044 11.555 1.00 15.00 H new ATOM 0 HB THR A 28 -0.504 -12.163 12.855 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.955 -14.029 12.915 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.486 -13.828 14.687 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.112 -13.175 14.372 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.677 -14.799 13.789 1.00 15.00 H new ATOM 403 N SER A 29 -2.388 -10.764 12.039 1.00 15.00 N ATOM 404 CA SER A 29 -3.227 -9.618 12.366 1.00 15.00 C ATOM 405 C SER A 29 -4.211 -9.331 11.237 1.00 15.00 C ATOM 406 O SER A 29 -5.344 -8.914 11.478 1.00 15.00 O ATOM 407 CB SER A 29 -2.361 -8.384 12.631 1.00 15.00 C ATOM 408 OG SER A 29 -2.876 -7.621 13.709 1.00 15.00 O ATOM 0 H SER A 29 -1.405 -10.538 11.888 1.00 15.00 H new ATOM 0 HA SER A 29 -3.792 -9.855 13.268 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.340 -8.694 12.856 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.317 -7.767 11.733 1.00 15.00 H new ATOM 0 HG SER A 29 -2.304 -6.839 13.859 1.00 15.00 H new ATOM 414 N VAL A 30 -3.769 -9.560 10.005 1.00 15.00 N ATOM 415 CA VAL A 30 -4.609 -9.330 8.837 1.00 15.00 C ATOM 416 C VAL A 30 -5.437 -10.569 8.506 1.00 15.00 C ATOM 417 O VAL A 30 -5.427 -11.549 9.251 1.00 15.00 O ATOM 418 CB VAL A 30 -3.767 -8.935 7.607 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.989 -7.658 7.883 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.827 -10.064 7.212 1.00 15.00 C ATOM 0 H VAL A 30 -2.833 -9.905 9.790 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.279 -8.506 9.083 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.444 -8.751 6.773 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.400 -7.394 7.005 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.685 -6.850 8.110 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.324 -7.814 8.732 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.243 -9.764 6.342 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.155 -10.285 8.041 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.408 -10.953 6.969 1.00 15.00 H new ATOM 430 N ARG A 31 -6.156 -10.518 7.390 1.00 15.00 N ATOM 431 CA ARG A 31 -6.992 -11.636 6.968 1.00 15.00 C ATOM 432 C ARG A 31 -6.143 -12.817 6.503 1.00 15.00 C ATOM 433 O ARG A 31 -6.335 -13.946 6.954 1.00 15.00 O ATOM 434 CB ARG A 31 -7.940 -11.197 5.849 1.00 15.00 C ATOM 435 CG ARG A 31 -9.395 -11.118 6.282 1.00 15.00 C ATOM 436 CD ARG A 31 -10.058 -12.486 6.258 1.00 15.00 C ATOM 437 NE ARG A 31 -11.503 -12.397 6.458 1.00 15.00 N ATOM 438 CZ ARG A 31 -12.078 -12.256 7.650 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.336 -12.185 8.748 1.00 15.00 N ATOM 440 NH2 ARG A 31 -13.399 -12.185 7.744 1.00 15.00 N ATOM 0 H ARG A 31 -6.177 -9.715 6.762 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.580 -11.959 7.828 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.626 -10.221 5.480 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.854 -11.895 5.017 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.454 -10.701 7.287 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.936 -10.439 5.623 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.853 -12.972 5.304 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.622 -13.114 7.035 1.00 15.00 H new ATOM 0 HE ARG A 31 -12.106 -12.446 5.637 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -10.320 -12.238 8.681 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -11.782 -12.077 9.659 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -13.974 -12.238 6.903 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.840 -12.077 8.657 1.00 15.00 H new ATOM 454 N HIS A 32 -5.208 -12.552 5.596 1.00 15.00 N ATOM 455 CA HIS A 32 -4.338 -13.600 5.071 1.00 15.00 C ATOM 456 C HIS A 32 -2.876 -13.162 5.081 1.00 15.00 C ATOM 457 O HIS A 32 -2.075 -13.664 5.865 1.00 15.00 O ATOM 458 CB HIS A 32 -4.760 -13.974 3.649 1.00 15.00 C ATOM 459 CG HIS A 32 -6.155 -14.508 3.560 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.454 -15.852 3.639 1.00 15.00 N ATOM 461 CD2 HIS A 32 -7.340 -13.871 3.399 1.00 15.00 C ATOM 462 CE1 HIS A 32 -7.760 -16.019 3.529 1.00 15.00 C ATOM 463 NE2 HIS A 32 -8.320 -14.833 3.384 1.00 15.00 N ATOM 0 H HIS A 32 -5.033 -11.624 5.210 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.437 -14.472 5.717 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.675 -13.095 3.010 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.068 -14.720 3.258 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -7.487 -12.806 3.301 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -8.281 -16.965 3.554 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -9.319 -14.659 3.278 1.00 15.00 H new ATOM 472 N GLY A 33 -2.537 -12.230 4.198 1.00 15.00 N ATOM 473 CA GLY A 33 -1.170 -11.742 4.115 1.00 15.00 C ATOM 474 C GLY A 33 -1.071 -10.427 3.369 1.00 15.00 C ATOM 475 O GLY A 33 -0.018 -10.088 2.832 1.00 15.00 O ATOM 0 H GLY A 33 -3.184 -11.802 3.536 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.770 -11.617 5.121 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.551 -12.487 3.616 1.00 15.00 H new ATOM 479 N GLY A 34 -2.165 -9.671 3.355 1.00 15.00 N ATOM 480 CA GLY A 34 -2.162 -8.383 2.693 1.00 15.00 C ATOM 481 C GLY A 34 -1.676 -7.313 3.639 1.00 15.00 C ATOM 482 O GLY A 34 -1.883 -7.423 4.847 1.00 15.00 O ATOM 0 H GLY A 34 -3.051 -9.929 3.790 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.520 -8.420 1.813 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.167 -8.142 2.345 1.00 15.00 H new ATOM 486 N ILE A 35 -1.012 -6.288 3.124 1.00 15.00 N ATOM 487 CA ILE A 35 -0.505 -5.247 4.003 1.00 15.00 C ATOM 488 C ILE A 35 -1.520 -4.143 4.233 1.00 15.00 C ATOM 489 O ILE A 35 -2.390 -3.884 3.403 1.00 15.00 O ATOM 490 CB ILE A 35 0.827 -4.641 3.504 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.825 -4.609 4.665 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.621 -3.245 2.920 1.00 15.00 C ATOM 493 CD1 ILE A 35 3.084 -3.814 4.396 1.00 15.00 C ATOM 0 H ILE A 35 -0.816 -6.156 2.132 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.313 -5.742 4.955 1.00 15.00 H new ATOM 0 HB ILE A 35 1.223 -5.264 2.702 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.329 -4.192 5.541 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.104 -5.633 4.914 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.577 -2.849 2.579 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.070 -3.301 2.079 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.208 -2.588 3.685 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.730 -3.848 5.273 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.609 -4.242 3.542 1.00 15.00 H new ATOM 0 HD13 ILE A 35 2.821 -2.779 4.179 1.00 15.00 H new ATOM 505 N TYR A 36 -1.377 -3.492 5.374 1.00 15.00 N ATOM 506 CA TYR A 36 -2.246 -2.396 5.758 1.00 15.00 C ATOM 507 C TYR A 36 -1.398 -1.252 6.284 1.00 15.00 C ATOM 508 O TYR A 36 -0.822 -1.341 7.368 1.00 15.00 O ATOM 509 CB TYR A 36 -3.245 -2.857 6.818 1.00 15.00 C ATOM 510 CG TYR A 36 -4.257 -3.855 6.300 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.888 -5.164 6.002 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.581 -3.487 6.105 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.813 -6.074 5.527 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.510 -4.393 5.631 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.122 -5.683 5.344 1.00 15.00 C ATOM 516 OH TYR A 36 -7.045 -6.587 4.871 1.00 15.00 O ATOM 0 H TYR A 36 -0.654 -3.709 6.060 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.810 -2.056 4.890 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.700 -3.303 7.650 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.772 -1.988 7.211 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.863 -5.473 6.144 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.890 -2.476 6.327 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.512 -7.086 5.300 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.537 -4.091 5.486 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.931 -6.366 5.227 1.00 15.00 H new ATOM 526 N VAL A 37 -1.298 -0.188 5.500 1.00 15.00 N ATOM 527 CA VAL A 37 -0.483 0.956 5.889 1.00 15.00 C ATOM 528 C VAL A 37 -0.893 1.484 7.256 1.00 15.00 C ATOM 529 O VAL A 37 -2.061 1.430 7.634 1.00 15.00 O ATOM 530 CB VAL A 37 -0.520 2.111 4.840 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.868 1.604 3.453 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.466 3.233 5.231 1.00 15.00 C ATOM 0 H VAL A 37 -1.766 -0.092 4.599 1.00 15.00 H new ATOM 0 HA VAL A 37 0.543 0.592 5.938 1.00 15.00 H new ATOM 0 HB VAL A 37 0.490 2.520 4.821 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.883 2.440 2.753 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.122 0.877 3.134 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.850 1.131 3.474 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.449 4.007 4.464 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.478 2.839 5.327 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.151 3.659 6.183 1.00 15.00 H new ATOM 542 N LYS A 38 0.076 2.010 7.986 1.00 15.00 N ATOM 543 CA LYS A 38 -0.189 2.569 9.297 1.00 15.00 C ATOM 544 C LYS A 38 -0.763 3.967 9.129 1.00 15.00 C ATOM 545 O LYS A 38 -1.796 4.298 9.708 1.00 15.00 O ATOM 546 CB LYS A 38 1.088 2.600 10.139 1.00 15.00 C ATOM 547 CG LYS A 38 0.828 2.731 11.630 1.00 15.00 C ATOM 548 CD LYS A 38 1.424 4.012 12.188 1.00 15.00 C ATOM 549 CE LYS A 38 0.445 5.169 12.088 1.00 15.00 C ATOM 550 NZ LYS A 38 -0.241 5.431 13.383 1.00 15.00 N ATOM 0 H LYS A 38 1.051 2.061 7.692 1.00 15.00 H new ATOM 0 HA LYS A 38 -0.911 1.944 9.821 1.00 15.00 H new ATOM 0 HB2 LYS A 38 1.656 1.688 9.956 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.709 3.434 9.812 1.00 15.00 H new ATOM 0 HG2 LYS A 38 -0.246 2.717 11.816 1.00 15.00 H new ATOM 0 HG3 LYS A 38 1.253 1.873 12.151 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.705 3.860 13.230 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.336 4.257 11.644 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.975 6.067 11.770 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.298 4.950 11.321 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -0.900 6.228 13.272 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -0.768 4.583 13.674 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 0.466 5.665 14.109 1.00 15.00 H new ATOM 564 N ALA A 39 -0.098 4.776 8.307 1.00 15.00 N ATOM 565 CA ALA A 39 -0.554 6.127 8.029 1.00 15.00 C ATOM 566 C ALA A 39 0.284 6.746 6.923 1.00 15.00 C ATOM 567 O ALA A 39 1.291 6.174 6.519 1.00 15.00 O ATOM 568 CB ALA A 39 -0.513 6.976 9.285 1.00 15.00 C ATOM 0 H ALA A 39 0.761 4.514 7.823 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.589 6.084 7.691 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.858 7.984 9.054 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.160 6.535 10.043 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.509 7.020 9.661 1.00 15.00 H new ATOM 574 N VAL A 40 -0.116 7.922 6.456 1.00 15.00 N ATOM 575 CA VAL A 40 0.632 8.613 5.410 1.00 15.00 C ATOM 576 C VAL A 40 1.556 9.635 6.056 1.00 15.00 C ATOM 577 O VAL A 40 1.102 10.620 6.638 1.00 15.00 O ATOM 578 CB VAL A 40 -0.286 9.321 4.383 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.232 8.612 3.038 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.720 9.397 4.887 1.00 15.00 C ATOM 0 H VAL A 40 -0.947 8.415 6.781 1.00 15.00 H new ATOM 0 HA VAL A 40 1.202 7.862 4.863 1.00 15.00 H new ATOM 0 HB VAL A 40 0.080 10.340 4.254 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.884 9.124 2.330 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.791 8.622 2.662 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.565 7.581 3.157 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.340 9.899 4.145 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.100 8.390 5.056 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.748 9.957 5.822 1.00 15.00 H new ATOM 590 N ILE A 41 2.852 9.360 6.000 1.00 15.00 N ATOM 591 CA ILE A 41 3.843 10.218 6.632 1.00 15.00 C ATOM 592 C ILE A 41 4.147 11.483 5.829 1.00 15.00 C ATOM 593 O ILE A 41 4.681 11.417 4.721 1.00 15.00 O ATOM 594 CB ILE A 41 5.140 9.421 6.932 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.938 8.481 8.131 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.322 10.345 7.186 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.519 7.973 8.295 1.00 15.00 C ATOM 0 H ILE A 41 3.242 8.547 5.522 1.00 15.00 H new ATOM 0 HA ILE A 41 3.409 10.557 7.573 1.00 15.00 H new ATOM 0 HB ILE A 41 5.363 8.824 6.048 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.607 7.627 8.025 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.231 9.004 9.041 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.211 9.750 7.392 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.496 10.964 6.306 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.107 10.984 8.042 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.466 7.317 9.164 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.844 8.817 8.436 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.226 7.419 7.403 1.00 15.00 H new ATOM 609 N PRO A 42 3.806 12.663 6.409 1.00 15.00 N ATOM 610 CA PRO A 42 4.032 13.975 5.781 1.00 15.00 C ATOM 611 C PRO A 42 5.511 14.276 5.546 1.00 15.00 C ATOM 612 O PRO A 42 6.040 15.262 6.062 1.00 15.00 O ATOM 613 CB PRO A 42 3.451 14.973 6.794 1.00 15.00 C ATOM 614 CG PRO A 42 2.552 14.168 7.663 1.00 15.00 C ATOM 615 CD PRO A 42 3.170 12.805 7.732 1.00 15.00 C ATOM 0 HA PRO A 42 3.570 14.022 4.795 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.241 15.447 7.377 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.903 15.770 6.292 1.00 15.00 H new ATOM 0 HG2 PRO A 42 2.467 14.610 8.656 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.545 14.121 7.248 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.898 12.732 8.540 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.422 12.031 7.906 1.00 15.00 H new ATOM 623 N GLN A 43 6.179 13.430 4.770 1.00 15.00 N ATOM 624 CA GLN A 43 7.591 13.622 4.481 1.00 15.00 C ATOM 625 C GLN A 43 7.945 13.123 3.080 1.00 15.00 C ATOM 626 O GLN A 43 8.630 13.812 2.324 1.00 15.00 O ATOM 627 CB GLN A 43 8.439 12.896 5.527 1.00 15.00 C ATOM 628 CG GLN A 43 9.926 12.896 5.215 1.00 15.00 C ATOM 629 CD GLN A 43 10.751 13.564 6.298 1.00 15.00 C ATOM 630 OE1 GLN A 43 11.449 14.546 6.046 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.675 13.032 7.512 1.00 15.00 N ATOM 0 H GLN A 43 5.765 12.607 4.332 1.00 15.00 H new ATOM 0 HA GLN A 43 7.803 14.690 4.520 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.281 13.364 6.499 1.00 15.00 H new ATOM 0 HB3 GLN A 43 8.094 11.865 5.610 1.00 15.00 H new ATOM 0 HG2 GLN A 43 10.266 11.868 5.087 1.00 15.00 H new ATOM 0 HG3 GLN A 43 10.094 13.408 4.268 1.00 15.00 H new ATOM 0 HE21 GLN A 43 10.083 12.217 7.676 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.208 13.438 8.281 1.00 15.00 H new ATOM 640 N GLY A 44 7.491 11.919 2.744 1.00 15.00 N ATOM 641 CA GLY A 44 7.795 11.356 1.438 1.00 15.00 C ATOM 642 C GLY A 44 6.803 11.743 0.359 1.00 15.00 C ATOM 643 O GLY A 44 5.737 12.292 0.637 1.00 15.00 O ATOM 0 H GLY A 44 6.922 11.326 3.347 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.791 11.680 1.136 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.824 10.269 1.519 1.00 15.00 H new ATOM 647 N ALA A 45 7.171 11.442 -0.880 1.00 15.00 N ATOM 648 CA ALA A 45 6.342 11.748 -2.045 1.00 15.00 C ATOM 649 C ALA A 45 4.959 11.106 -1.969 1.00 15.00 C ATOM 650 O ALA A 45 4.066 11.462 -2.736 1.00 15.00 O ATOM 651 CB ALA A 45 7.049 11.304 -3.314 1.00 15.00 C ATOM 0 H ALA A 45 8.051 10.979 -1.108 1.00 15.00 H new ATOM 0 HA ALA A 45 6.194 12.828 -2.058 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.426 11.535 -4.178 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.001 11.828 -3.403 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.229 10.230 -3.273 1.00 15.00 H new ATOM 657 N ALA A 46 4.780 10.160 -1.054 1.00 15.00 N ATOM 658 CA ALA A 46 3.496 9.487 -0.913 1.00 15.00 C ATOM 659 C ALA A 46 2.465 10.420 -0.295 1.00 15.00 C ATOM 660 O ALA A 46 1.406 10.666 -0.881 1.00 15.00 O ATOM 661 CB ALA A 46 3.646 8.233 -0.067 1.00 15.00 C ATOM 0 H ALA A 46 5.501 9.845 -0.405 1.00 15.00 H new ATOM 0 HA ALA A 46 3.149 9.200 -1.906 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.678 7.741 0.029 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.352 7.554 -0.545 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.016 8.503 0.922 1.00 15.00 H new ATOM 667 N GLU A 47 2.787 10.946 0.886 1.00 15.00 N ATOM 668 CA GLU A 47 1.898 11.870 1.581 1.00 15.00 C ATOM 669 C GLU A 47 1.597 13.084 0.702 1.00 15.00 C ATOM 670 O GLU A 47 0.456 13.541 0.622 1.00 15.00 O ATOM 671 CB GLU A 47 2.525 12.334 2.906 1.00 15.00 C ATOM 672 CG GLU A 47 3.728 13.235 2.696 1.00 15.00 C ATOM 673 CD GLU A 47 3.345 14.693 2.524 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.208 15.055 2.894 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.182 15.471 2.021 1.00 15.00 O ATOM 0 H GLU A 47 3.657 10.747 1.380 1.00 15.00 H new ATOM 0 HA GLU A 47 0.967 11.345 1.796 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.775 12.865 3.493 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.825 11.462 3.487 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.402 13.139 3.547 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.277 12.902 1.815 1.00 15.00 H new ATOM 682 N SER A 48 2.640 13.606 0.051 1.00 15.00 N ATOM 683 CA SER A 48 2.505 14.774 -0.816 1.00 15.00 C ATOM 684 C SER A 48 1.421 14.544 -1.854 1.00 15.00 C ATOM 685 O SER A 48 0.347 15.142 -1.787 1.00 15.00 O ATOM 686 CB SER A 48 3.836 15.081 -1.506 1.00 15.00 C ATOM 687 OG SER A 48 4.086 16.476 -1.533 1.00 15.00 O ATOM 0 H SER A 48 3.588 13.235 0.110 1.00 15.00 H new ATOM 0 HA SER A 48 2.223 15.628 -0.200 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.646 14.573 -0.983 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.820 14.691 -2.524 1.00 15.00 H new ATOM 0 HG SER A 48 4.943 16.646 -1.977 1.00 15.00 H new ATOM 693 N ASP A 49 1.696 13.656 -2.803 1.00 15.00 N ATOM 694 CA ASP A 49 0.722 13.337 -3.833 1.00 15.00 C ATOM 695 C ASP A 49 -0.551 12.829 -3.175 1.00 15.00 C ATOM 696 O ASP A 49 -1.661 13.187 -3.570 1.00 15.00 O ATOM 697 CB ASP A 49 1.281 12.283 -4.792 1.00 15.00 C ATOM 698 CG ASP A 49 1.416 12.804 -6.209 1.00 15.00 C ATOM 699 OD1 ASP A 49 2.193 13.759 -6.419 1.00 15.00 O ATOM 700 OD2 ASP A 49 0.745 12.257 -7.109 1.00 15.00 O ATOM 0 H ASP A 49 2.578 13.150 -2.878 1.00 15.00 H new ATOM 0 HA ASP A 49 0.500 14.235 -4.409 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.256 11.952 -4.435 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.628 11.411 -4.789 1.00 15.00 H new ATOM 705 N GLY A 50 -0.370 11.998 -2.154 1.00 15.00 N ATOM 706 CA GLY A 50 -1.495 11.452 -1.429 1.00 15.00 C ATOM 707 C GLY A 50 -2.110 10.276 -2.155 1.00 15.00 C ATOM 708 O GLY A 50 -3.333 10.143 -2.212 1.00 15.00 O ATOM 0 H GLY A 50 0.543 11.693 -1.816 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.171 11.138 -0.437 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.248 12.227 -1.288 1.00 15.00 H new ATOM 712 N ARG A 51 -1.264 9.425 -2.724 1.00 15.00 N ATOM 713 CA ARG A 51 -1.747 8.262 -3.463 1.00 15.00 C ATOM 714 C ARG A 51 -2.136 7.143 -2.508 1.00 15.00 C ATOM 715 O ARG A 51 -3.230 6.585 -2.600 1.00 15.00 O ATOM 716 CB ARG A 51 -0.686 7.765 -4.449 1.00 15.00 C ATOM 717 CG ARG A 51 -0.777 8.415 -5.820 1.00 15.00 C ATOM 718 CD ARG A 51 -1.904 7.820 -6.649 1.00 15.00 C ATOM 719 NE ARG A 51 -2.855 8.837 -7.090 1.00 15.00 N ATOM 720 CZ ARG A 51 -4.029 8.559 -7.650 1.00 15.00 C ATOM 721 NH1 ARG A 51 -4.400 7.298 -7.838 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.836 9.543 -8.023 1.00 15.00 N ATOM 0 H ARG A 51 -0.249 9.516 -2.689 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.630 8.565 -4.026 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.303 7.954 -4.031 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.784 6.685 -4.561 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.936 9.487 -5.705 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.169 8.288 -6.347 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.486 7.313 -7.519 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.427 7.065 -6.061 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.604 9.817 -6.961 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -3.784 6.537 -7.553 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -5.301 7.090 -8.268 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.556 10.514 -7.881 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -5.736 9.329 -8.452 1.00 15.00 H new ATOM 736 N ILE A 52 -1.239 6.828 -1.586 1.00 15.00 N ATOM 737 CA ILE A 52 -1.485 5.789 -0.606 1.00 15.00 C ATOM 738 C ILE A 52 -2.338 6.334 0.540 1.00 15.00 C ATOM 739 O ILE A 52 -2.441 7.548 0.717 1.00 15.00 O ATOM 740 CB ILE A 52 -0.153 5.234 -0.070 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.392 3.970 0.749 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.576 6.289 0.749 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.122 2.889 -0.012 1.00 15.00 C ATOM 0 H ILE A 52 -0.330 7.282 -1.499 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.029 4.976 -1.087 1.00 15.00 H new ATOM 0 HB ILE A 52 0.480 4.972 -0.918 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.567 3.580 1.089 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -0.965 4.227 1.640 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.515 5.878 1.119 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.782 7.157 0.123 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.046 6.589 1.592 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.258 2.020 0.631 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.096 3.262 -0.329 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.540 2.605 -0.888 1.00 15.00 H new ATOM 755 N HIS A 53 -2.964 5.443 1.304 1.00 15.00 N ATOM 756 CA HIS A 53 -3.819 5.864 2.411 1.00 15.00 C ATOM 757 C HIS A 53 -3.767 4.898 3.575 1.00 15.00 C ATOM 758 O HIS A 53 -3.418 3.728 3.426 1.00 15.00 O ATOM 759 CB HIS A 53 -5.263 6.034 1.935 1.00 15.00 C ATOM 760 CG HIS A 53 -5.436 7.126 0.926 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.417 6.905 -0.435 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.636 8.456 1.086 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.595 8.051 -1.068 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.731 9.007 -0.168 1.00 15.00 N ATOM 0 H HIS A 53 -2.897 4.433 1.179 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.438 6.822 2.764 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.608 5.094 1.504 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.899 6.242 2.796 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.707 8.985 2.025 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.624 8.183 -2.139 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.882 9.995 -0.371 1.00 15.00 H new ATOM 773 N LYS A 54 -4.103 5.431 4.742 1.00 15.00 N ATOM 774 CA LYS A 54 -4.092 4.685 5.987 1.00 15.00 C ATOM 775 C LYS A 54 -4.692 3.283 5.847 1.00 15.00 C ATOM 776 O LYS A 54 -5.774 3.109 5.287 1.00 15.00 O ATOM 777 CB LYS A 54 -4.852 5.465 7.064 1.00 15.00 C ATOM 778 CG LYS A 54 -3.978 5.926 8.216 1.00 15.00 C ATOM 779 CD LYS A 54 -4.779 6.072 9.499 1.00 15.00 C ATOM 780 CE LYS A 54 -4.755 4.793 10.321 1.00 15.00 C ATOM 781 NZ LYS A 54 -4.474 5.061 11.758 1.00 15.00 N ATOM 0 H LYS A 54 -4.393 6.403 4.849 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.048 4.559 6.274 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.322 6.335 6.606 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.653 4.839 7.456 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.170 5.211 8.370 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.516 6.880 7.964 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.374 6.893 10.090 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.810 6.331 9.258 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.714 4.284 10.228 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -3.996 4.120 9.922 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -4.466 4.164 12.283 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -3.547 5.524 11.850 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -5.212 5.683 12.146 1.00 15.00 H new ATOM 795 N GLY A 55 -3.978 2.290 6.381 1.00 15.00 N ATOM 796 CA GLY A 55 -4.443 0.914 6.334 1.00 15.00 C ATOM 797 C GLY A 55 -4.845 0.461 4.947 1.00 15.00 C ATOM 798 O GLY A 55 -5.713 -0.399 4.800 1.00 15.00 O ATOM 0 H GLY A 55 -3.080 2.418 6.848 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.656 0.259 6.708 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.295 0.803 7.005 1.00 15.00 H new ATOM 802 N ASP A 56 -4.213 1.025 3.926 1.00 15.00 N ATOM 803 CA ASP A 56 -4.524 0.646 2.554 1.00 15.00 C ATOM 804 C ASP A 56 -4.127 -0.805 2.297 1.00 15.00 C ATOM 805 O ASP A 56 -2.998 -1.206 2.581 1.00 15.00 O ATOM 806 CB ASP A 56 -3.817 1.572 1.564 1.00 15.00 C ATOM 807 CG ASP A 56 -4.726 2.672 1.051 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.926 2.663 1.397 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.238 3.543 0.303 1.00 15.00 O ATOM 0 H ASP A 56 -3.490 1.738 4.019 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.600 0.744 2.409 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.947 2.018 2.046 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.449 0.986 0.722 1.00 15.00 H new ATOM 814 N ARG A 57 -5.059 -1.589 1.762 1.00 15.00 N ATOM 815 CA ARG A 57 -4.796 -2.994 1.473 1.00 15.00 C ATOM 816 C ARG A 57 -4.036 -3.140 0.159 1.00 15.00 C ATOM 817 O ARG A 57 -4.635 -3.157 -0.916 1.00 15.00 O ATOM 818 CB ARG A 57 -6.108 -3.779 1.410 1.00 15.00 C ATOM 819 CG ARG A 57 -6.851 -3.830 2.736 1.00 15.00 C ATOM 820 CD ARG A 57 -8.312 -3.441 2.575 1.00 15.00 C ATOM 821 NE ARG A 57 -9.158 -4.599 2.292 1.00 15.00 N ATOM 822 CZ ARG A 57 -9.892 -5.233 3.206 1.00 15.00 C ATOM 823 NH1 ARG A 57 -9.889 -4.831 4.472 1.00 15.00 N ATOM 824 NH2 ARG A 57 -10.632 -6.274 2.852 1.00 15.00 N ATOM 0 H ARG A 57 -5.999 -1.276 1.521 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.181 -3.399 2.277 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.755 -3.329 0.657 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -5.897 -4.797 1.082 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.785 -4.835 3.152 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -6.372 -3.159 3.448 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.659 -2.952 3.485 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.407 -2.716 1.767 1.00 15.00 H new ATOM 0 HE ARG A 57 -9.189 -4.944 1.333 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.322 -4.031 4.752 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -10.454 -5.323 5.164 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -10.639 -6.588 1.882 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -11.195 -6.761 3.550 1.00 15.00 H new ATOM 838 N VAL A 58 -2.712 -3.237 0.252 1.00 15.00 N ATOM 839 CA VAL A 58 -1.874 -3.373 -0.933 1.00 15.00 C ATOM 840 C VAL A 58 -1.752 -4.836 -1.358 1.00 15.00 C ATOM 841 O VAL A 58 -1.183 -5.663 -0.640 1.00 15.00 O ATOM 842 CB VAL A 58 -0.470 -2.754 -0.713 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.574 -1.478 0.109 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.481 -3.740 -0.045 1.00 15.00 C ATOM 0 H VAL A 58 -2.199 -3.224 1.134 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.362 -2.821 -1.737 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.060 -2.511 -1.693 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.421 -1.057 0.254 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.201 -0.757 -0.416 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.017 -1.705 1.079 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.455 -3.270 0.093 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.079 -4.033 0.925 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.590 -4.623 -0.674 1.00 15.00 H new ATOM 854 N LEU A 59 -2.315 -5.147 -2.524 1.00 15.00 N ATOM 855 CA LEU A 59 -2.291 -6.508 -3.050 1.00 15.00 C ATOM 856 C LEU A 59 -1.332 -6.662 -4.234 1.00 15.00 C ATOM 857 O LEU A 59 -1.051 -7.781 -4.661 1.00 15.00 O ATOM 858 CB LEU A 59 -3.698 -6.937 -3.469 1.00 15.00 C ATOM 859 CG LEU A 59 -4.660 -7.217 -2.314 1.00 15.00 C ATOM 860 CD1 LEU A 59 -4.137 -8.352 -1.447 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.872 -5.961 -1.481 1.00 15.00 C ATOM 0 H LEU A 59 -2.793 -4.473 -3.122 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.929 -7.152 -2.248 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.127 -6.157 -4.098 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.620 -7.835 -4.083 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.621 -7.519 -2.731 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -4.835 -8.537 -0.630 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -4.037 -9.254 -2.050 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.164 -8.079 -1.038 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.559 -6.178 -0.663 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.917 -5.629 -1.074 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.292 -5.175 -2.109 1.00 15.00 H new ATOM 873 N ALA A 60 -0.850 -5.549 -4.786 1.00 15.00 N ATOM 874 CA ALA A 60 0.049 -5.615 -5.938 1.00 15.00 C ATOM 875 C ALA A 60 1.023 -4.439 -5.996 1.00 15.00 C ATOM 876 O ALA A 60 0.702 -3.322 -5.594 1.00 15.00 O ATOM 877 CB ALA A 60 -0.764 -5.683 -7.222 1.00 15.00 C ATOM 0 H ALA A 60 -1.062 -4.606 -4.461 1.00 15.00 H new ATOM 0 HA ALA A 60 0.649 -6.518 -5.827 1.00 15.00 H new ATOM 0 HB1 ALA A 60 -0.090 -5.732 -8.077 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.395 -6.571 -7.206 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.390 -4.794 -7.304 1.00 15.00 H new ATOM 883 N VAL A 61 2.211 -4.712 -6.531 1.00 15.00 N ATOM 884 CA VAL A 61 3.259 -3.707 -6.694 1.00 15.00 C ATOM 885 C VAL A 61 3.931 -3.903 -8.044 1.00 15.00 C ATOM 886 O VAL A 61 4.766 -4.793 -8.206 1.00 15.00 O ATOM 887 CB VAL A 61 4.323 -3.794 -5.583 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.248 -2.588 -5.633 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.665 -3.919 -4.218 1.00 15.00 C ATOM 0 H VAL A 61 2.475 -5.639 -6.865 1.00 15.00 H new ATOM 0 HA VAL A 61 2.792 -2.724 -6.632 1.00 15.00 H new ATOM 0 HB VAL A 61 4.923 -4.688 -5.751 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.993 -2.667 -4.841 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.749 -2.554 -6.600 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.666 -1.677 -5.494 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.434 -3.979 -3.448 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.036 -3.047 -4.036 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.053 -4.820 -4.190 1.00 15.00 H new ATOM 899 N ASN A 62 3.535 -3.098 -9.023 1.00 15.00 N ATOM 900 CA ASN A 62 4.078 -3.224 -10.368 1.00 15.00 C ATOM 901 C ASN A 62 3.666 -4.567 -10.971 1.00 15.00 C ATOM 902 O ASN A 62 4.238 -5.017 -11.964 1.00 15.00 O ATOM 903 CB ASN A 62 5.603 -3.096 -10.354 1.00 15.00 C ATOM 904 CG ASN A 62 6.081 -1.848 -9.636 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.140 -1.850 -9.010 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.305 -0.771 -9.725 1.00 15.00 N ATOM 0 H ASN A 62 2.844 -2.356 -8.911 1.00 15.00 H new ATOM 0 HA ASN A 62 3.675 -2.418 -10.981 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.032 -3.974 -9.872 1.00 15.00 H new ATOM 0 HB3 ASN A 62 5.972 -3.083 -11.380 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.581 0.096 -9.264 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.434 -0.812 -10.255 1.00 15.00 H new ATOM 913 N GLY A 63 2.659 -5.199 -10.362 1.00 15.00 N ATOM 914 CA GLY A 63 2.172 -6.477 -10.845 1.00 15.00 C ATOM 915 C GLY A 63 2.560 -7.647 -9.957 1.00 15.00 C ATOM 916 O GLY A 63 2.281 -8.798 -10.293 1.00 15.00 O ATOM 0 H GLY A 63 2.173 -4.843 -9.539 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.086 -6.436 -10.925 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.560 -6.649 -11.849 1.00 15.00 H new ATOM 920 N VAL A 64 3.192 -7.364 -8.821 1.00 15.00 N ATOM 921 CA VAL A 64 3.594 -8.422 -7.900 1.00 15.00 C ATOM 922 C VAL A 64 2.526 -8.643 -6.828 1.00 15.00 C ATOM 923 O VAL A 64 2.362 -7.831 -5.919 1.00 15.00 O ATOM 924 CB VAL A 64 4.958 -8.120 -7.236 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.826 -7.068 -6.146 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.571 -9.396 -6.680 1.00 15.00 C ATOM 0 H VAL A 64 3.435 -6.421 -8.519 1.00 15.00 H new ATOM 0 HA VAL A 64 3.702 -9.334 -8.487 1.00 15.00 H new ATOM 0 HB VAL A 64 5.621 -7.718 -8.002 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.803 -6.880 -5.701 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.440 -6.144 -6.577 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.140 -7.424 -5.378 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.530 -9.167 -6.216 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.902 -9.827 -5.935 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.721 -10.110 -7.490 1.00 15.00 H new ATOM 936 N SER A 65 1.795 -9.745 -6.948 1.00 15.00 N ATOM 937 CA SER A 65 0.738 -10.067 -5.995 1.00 15.00 C ATOM 938 C SER A 65 1.281 -10.117 -4.571 1.00 15.00 C ATOM 939 O SER A 65 2.287 -10.773 -4.300 1.00 15.00 O ATOM 940 CB SER A 65 0.089 -11.405 -6.355 1.00 15.00 C ATOM 941 OG SER A 65 -0.986 -11.224 -7.259 1.00 15.00 O ATOM 0 H SER A 65 1.914 -10.430 -7.694 1.00 15.00 H new ATOM 0 HA SER A 65 -0.014 -9.280 -6.047 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.834 -12.066 -6.798 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.272 -11.893 -5.450 1.00 15.00 H new ATOM 0 HG SER A 65 -1.382 -12.094 -7.474 1.00 15.00 H new ATOM 947 N LEU A 66 0.606 -9.420 -3.664 1.00 15.00 N ATOM 948 CA LEU A 66 1.014 -9.381 -2.265 1.00 15.00 C ATOM 949 C LEU A 66 0.364 -10.513 -1.474 1.00 15.00 C ATOM 950 O LEU A 66 0.853 -10.899 -0.412 1.00 15.00 O ATOM 951 CB LEU A 66 0.650 -8.030 -1.643 1.00 15.00 C ATOM 952 CG LEU A 66 1.822 -7.262 -1.028 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.614 -8.156 -0.086 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.722 -6.702 -2.120 1.00 15.00 C ATOM 0 H LEU A 66 -0.229 -8.873 -3.874 1.00 15.00 H new ATOM 0 HA LEU A 66 2.095 -9.512 -2.225 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.190 -7.407 -2.410 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.102 -8.194 -0.871 1.00 15.00 H new ATOM 0 HG LEU A 66 1.422 -6.429 -0.450 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.443 -7.591 0.341 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.964 -8.507 0.715 1.00 15.00 H new ATOM 0 HD13 LEU A 66 3.004 -9.011 -0.638 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.551 -6.159 -1.666 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.113 -7.520 -2.725 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.148 -6.025 -2.753 1.00 15.00 H new ATOM 966 N GLU A 67 -0.741 -11.043 -1.996 1.00 15.00 N ATOM 967 CA GLU A 67 -1.459 -12.131 -1.337 1.00 15.00 C ATOM 968 C GLU A 67 -0.495 -13.215 -0.860 1.00 15.00 C ATOM 969 O GLU A 67 -0.029 -14.038 -1.649 1.00 15.00 O ATOM 970 CB GLU A 67 -2.493 -12.736 -2.288 1.00 15.00 C ATOM 971 CG GLU A 67 -3.860 -12.077 -2.199 1.00 15.00 C ATOM 972 CD GLU A 67 -4.474 -11.824 -3.562 1.00 15.00 C ATOM 973 OE1 GLU A 67 -5.080 -12.761 -4.124 1.00 15.00 O ATOM 974 OE2 GLU A 67 -4.349 -10.689 -4.069 1.00 15.00 O ATOM 0 H GLU A 67 -1.158 -10.736 -2.874 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.970 -11.719 -0.467 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.125 -12.654 -3.311 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.596 -13.799 -2.070 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.528 -12.711 -1.616 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.770 -11.132 -1.664 1.00 15.00 H new ATOM 981 N GLY A 68 -0.199 -13.206 0.435 1.00 15.00 N ATOM 982 CA GLY A 68 0.710 -14.188 0.996 1.00 15.00 C ATOM 983 C GLY A 68 2.044 -13.583 1.388 1.00 15.00 C ATOM 984 O GLY A 68 3.083 -13.943 0.835 1.00 15.00 O ATOM 0 H GLY A 68 -0.573 -12.536 1.107 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.250 -14.646 1.872 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.874 -14.984 0.269 1.00 15.00 H new ATOM 988 N ALA A 69 2.014 -12.660 2.344 1.00 15.00 N ATOM 989 CA ALA A 69 3.227 -12.001 2.810 1.00 15.00 C ATOM 990 C ALA A 69 2.940 -11.118 4.020 1.00 15.00 C ATOM 991 O ALA A 69 1.796 -10.745 4.272 1.00 15.00 O ATOM 992 CB ALA A 69 3.843 -11.182 1.686 1.00 15.00 C ATOM 0 H ALA A 69 1.161 -12.352 2.811 1.00 15.00 H new ATOM 0 HA ALA A 69 3.938 -12.769 3.116 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.749 -10.694 2.046 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.091 -11.838 0.852 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.131 -10.426 1.354 1.00 15.00 H new ATOM 998 N THR A 70 3.986 -10.789 4.769 1.00 15.00 N ATOM 999 CA THR A 70 3.842 -9.951 5.955 1.00 15.00 C ATOM 1000 C THR A 70 4.070 -8.480 5.618 1.00 15.00 C ATOM 1001 O THR A 70 4.166 -8.103 4.450 1.00 15.00 O ATOM 1002 CB THR A 70 4.823 -10.392 7.046 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.103 -9.824 6.835 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.995 -11.894 7.130 1.00 15.00 C ATOM 0 H THR A 70 4.942 -11.089 4.577 1.00 15.00 H new ATOM 0 HA THR A 70 2.823 -10.068 6.324 1.00 15.00 H new ATOM 0 HB THR A 70 4.386 -10.041 7.980 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.712 -10.118 7.544 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.703 -12.135 7.923 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.033 -12.359 7.348 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.373 -12.271 6.179 1.00 15.00 H new ATOM 1012 N HIS A 71 4.155 -7.658 6.657 1.00 15.00 N ATOM 1013 CA HIS A 71 4.373 -6.226 6.501 1.00 15.00 C ATOM 1014 C HIS A 71 5.695 -5.972 5.796 1.00 15.00 C ATOM 1015 O HIS A 71 5.735 -5.397 4.708 1.00 15.00 O ATOM 1016 CB HIS A 71 4.324 -5.562 7.888 1.00 15.00 C ATOM 1017 CG HIS A 71 5.100 -4.288 8.048 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.369 -3.746 9.286 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.632 -3.433 7.143 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.025 -2.614 9.138 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.205 -2.399 7.847 1.00 15.00 N ATOM 0 H HIS A 71 4.075 -7.964 7.627 1.00 15.00 H new ATOM 0 HA HIS A 71 3.590 -5.789 5.881 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.281 -5.359 8.133 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.690 -6.279 8.623 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.101 -4.158 10.180 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.611 -3.542 6.069 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.360 -1.970 9.938 1.00 15.00 H new ATOM 1030 N LYS A 72 6.771 -6.418 6.418 1.00 15.00 N ATOM 1031 CA LYS A 72 8.105 -6.260 5.852 1.00 15.00 C ATOM 1032 C LYS A 72 8.160 -6.808 4.430 1.00 15.00 C ATOM 1033 O LYS A 72 8.859 -6.271 3.574 1.00 15.00 O ATOM 1034 CB LYS A 72 9.127 -6.973 6.732 1.00 15.00 C ATOM 1035 CG LYS A 72 10.567 -6.614 6.408 1.00 15.00 C ATOM 1036 CD LYS A 72 11.538 -7.642 6.966 1.00 15.00 C ATOM 1037 CE LYS A 72 11.732 -8.804 6.006 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.092 -8.341 4.637 1.00 15.00 N ATOM 0 H LYS A 72 6.750 -6.895 7.319 1.00 15.00 H new ATOM 0 HA LYS A 72 8.343 -5.197 5.815 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.927 -6.730 7.776 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.997 -8.050 6.625 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.691 -6.544 5.327 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.799 -5.632 6.820 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.499 -7.167 7.163 1.00 15.00 H new ATOM 0 HD3 LYS A 72 11.166 -8.015 7.920 1.00 15.00 H new ATOM 0 HE2 LYS A 72 12.515 -9.460 6.385 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.816 -9.394 5.960 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.805 -8.980 4.231 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 11.243 -8.342 4.036 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.480 -7.377 4.687 1.00 15.00 H new ATOM 1052 N GLN A 73 7.412 -7.878 4.180 1.00 15.00 N ATOM 1053 CA GLN A 73 7.378 -8.483 2.854 1.00 15.00 C ATOM 1054 C GLN A 73 6.893 -7.463 1.840 1.00 15.00 C ATOM 1055 O GLN A 73 7.571 -7.178 0.854 1.00 15.00 O ATOM 1056 CB GLN A 73 6.465 -9.708 2.842 1.00 15.00 C ATOM 1057 CG GLN A 73 7.102 -10.936 3.463 1.00 15.00 C ATOM 1058 CD GLN A 73 6.687 -12.222 2.778 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.114 -13.115 3.402 1.00 15.00 O ATOM 1060 NE2 GLN A 73 6.975 -12.325 1.485 1.00 15.00 N ATOM 0 H GLN A 73 6.825 -8.341 4.874 1.00 15.00 H new ATOM 0 HA GLN A 73 8.386 -8.805 2.591 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.546 -9.473 3.379 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.184 -9.934 1.813 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.187 -10.839 3.418 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.830 -10.987 4.517 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.451 -11.561 1.006 1.00 15.00 H new ATOM 0 HE22 GLN A 73 6.720 -13.168 0.971 1.00 15.00 H new ATOM 1069 N ALA A 74 5.726 -6.893 2.107 1.00 15.00 N ATOM 1070 CA ALA A 74 5.172 -5.876 1.228 1.00 15.00 C ATOM 1071 C ALA A 74 6.082 -4.659 1.222 1.00 15.00 C ATOM 1072 O ALA A 74 6.384 -4.102 0.168 1.00 15.00 O ATOM 1073 CB ALA A 74 3.771 -5.490 1.657 1.00 15.00 C ATOM 0 H ALA A 74 5.150 -7.116 2.918 1.00 15.00 H new ATOM 0 HA ALA A 74 5.109 -6.283 0.219 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.381 -4.728 0.982 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.126 -6.368 1.625 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.797 -5.096 2.673 1.00 15.00 H new ATOM 1079 N VAL A 75 6.545 -4.272 2.412 1.00 15.00 N ATOM 1080 CA VAL A 75 7.459 -3.144 2.550 1.00 15.00 C ATOM 1081 C VAL A 75 8.525 -3.245 1.475 1.00 15.00 C ATOM 1082 O VAL A 75 8.909 -2.255 0.855 1.00 15.00 O ATOM 1083 CB VAL A 75 8.103 -3.134 3.961 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.592 -3.466 3.921 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.880 -1.806 4.653 1.00 15.00 C ATOM 0 H VAL A 75 6.300 -4.725 3.292 1.00 15.00 H new ATOM 0 HA VAL A 75 6.909 -2.210 2.431 1.00 15.00 H new ATOM 0 HB VAL A 75 7.608 -3.917 4.535 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.997 -3.446 4.933 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.732 -4.459 3.494 1.00 15.00 H new ATOM 0 HG13 VAL A 75 10.112 -2.730 3.308 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.342 -1.828 5.640 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.327 -1.008 4.061 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.810 -1.625 4.757 1.00 15.00 H new ATOM 1095 N GLU A 76 8.969 -4.473 1.246 1.00 15.00 N ATOM 1096 CA GLU A 76 9.962 -4.745 0.227 1.00 15.00 C ATOM 1097 C GLU A 76 9.380 -4.492 -1.160 1.00 15.00 C ATOM 1098 O GLU A 76 10.024 -3.871 -1.998 1.00 15.00 O ATOM 1099 CB GLU A 76 10.459 -6.188 0.333 1.00 15.00 C ATOM 1100 CG GLU A 76 11.048 -6.531 1.692 1.00 15.00 C ATOM 1101 CD GLU A 76 12.565 -6.529 1.687 1.00 15.00 C ATOM 1102 OE1 GLU A 76 13.156 -7.208 0.821 1.00 15.00 O ATOM 1103 OE2 GLU A 76 13.160 -5.850 2.549 1.00 15.00 O ATOM 0 H GLU A 76 8.653 -5.297 1.757 1.00 15.00 H new ATOM 0 HA GLU A 76 10.807 -4.074 0.382 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.631 -6.865 0.124 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.213 -6.361 -0.435 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.690 -5.814 2.431 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.691 -7.513 2.002 1.00 15.00 H new ATOM 1110 N THR A 77 8.156 -4.972 -1.401 1.00 15.00 N ATOM 1111 CA THR A 77 7.514 -4.782 -2.700 1.00 15.00 C ATOM 1112 C THR A 77 7.258 -3.305 -2.987 1.00 15.00 C ATOM 1113 O THR A 77 7.682 -2.786 -4.020 1.00 15.00 O ATOM 1114 CB THR A 77 6.206 -5.564 -2.791 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.368 -5.282 -1.687 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.407 -7.062 -2.850 1.00 15.00 C ATOM 0 H THR A 77 7.598 -5.488 -0.721 1.00 15.00 H new ATOM 0 HA THR A 77 8.202 -5.165 -3.454 1.00 15.00 H new ATOM 0 HB THR A 77 5.744 -5.240 -3.723 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.810 -4.636 -1.098 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.438 -7.557 -2.914 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.002 -7.315 -3.728 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.926 -7.395 -1.951 1.00 15.00 H new ATOM 1124 N LEU A 78 6.565 -2.627 -2.072 1.00 15.00 N ATOM 1125 CA LEU A 78 6.267 -1.206 -2.250 1.00 15.00 C ATOM 1126 C LEU A 78 7.551 -0.441 -2.521 1.00 15.00 C ATOM 1127 O LEU A 78 7.627 0.374 -3.440 1.00 15.00 O ATOM 1128 CB LEU A 78 5.580 -0.627 -1.008 1.00 15.00 C ATOM 1129 CG LEU A 78 4.576 -1.550 -0.318 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.859 -0.812 0.803 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.575 -2.101 -1.324 1.00 15.00 C ATOM 0 H LEU A 78 6.203 -3.033 -1.209 1.00 15.00 H new ATOM 0 HA LEU A 78 5.590 -1.105 -3.099 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.348 -0.350 -0.286 1.00 15.00 H new ATOM 0 HB3 LEU A 78 5.066 0.291 -1.294 1.00 15.00 H new ATOM 0 HG LEU A 78 5.121 -2.389 0.115 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.148 -1.483 1.284 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.588 -0.469 1.537 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.327 0.046 0.392 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.869 -2.756 -0.813 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.035 -1.276 -1.789 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.104 -2.666 -2.091 1.00 15.00 H new ATOM 1143 N ARG A 79 8.561 -0.728 -1.714 1.00 15.00 N ATOM 1144 CA ARG A 79 9.858 -0.094 -1.853 1.00 15.00 C ATOM 1145 C ARG A 79 10.543 -0.553 -3.140 1.00 15.00 C ATOM 1146 O ARG A 79 10.855 0.257 -4.012 1.00 15.00 O ATOM 1147 CB ARG A 79 10.722 -0.427 -0.636 1.00 15.00 C ATOM 1148 CG ARG A 79 11.750 0.643 -0.306 1.00 15.00 C ATOM 1149 CD ARG A 79 11.134 1.780 0.493 1.00 15.00 C ATOM 1150 NE ARG A 79 11.111 1.492 1.925 1.00 15.00 N ATOM 1151 CZ ARG A 79 10.328 2.125 2.795 1.00 15.00 C ATOM 1152 NH1 ARG A 79 9.505 3.081 2.383 1.00 15.00 N ATOM 1153 NH2 ARG A 79 10.368 1.802 4.080 1.00 15.00 N ATOM 0 H ARG A 79 8.503 -1.402 -0.951 1.00 15.00 H new ATOM 0 HA ARG A 79 9.724 0.986 -1.909 1.00 15.00 H new ATOM 0 HB2 ARG A 79 10.075 -0.576 0.228 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.237 -1.371 -0.814 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.568 0.200 0.261 1.00 15.00 H new ATOM 0 HG3 ARG A 79 12.177 1.035 -1.229 1.00 15.00 H new ATOM 0 HD2 ARG A 79 11.699 2.695 0.316 1.00 15.00 H new ATOM 0 HD3 ARG A 79 10.118 1.960 0.143 1.00 15.00 H new ATOM 0 HE ARG A 79 11.731 0.763 2.278 1.00 15.00 H new ATOM 0 HH11 ARG A 79 9.471 3.334 1.395 1.00 15.00 H new ATOM 0 HH12 ARG A 79 8.907 3.563 3.054 1.00 15.00 H new ATOM 0 HH21 ARG A 79 10.999 1.068 4.402 1.00 15.00 H new ATOM 0 HH22 ARG A 79 9.768 2.287 4.747 1.00 15.00 H new ATOM 1167 N ASN A 80 10.769 -1.861 -3.246 1.00 15.00 N ATOM 1168 CA ASN A 80 11.412 -2.448 -4.421 1.00 15.00 C ATOM 1169 C ASN A 80 10.544 -2.310 -5.673 1.00 15.00 C ATOM 1170 O ASN A 80 10.144 -3.311 -6.270 1.00 15.00 O ATOM 1171 CB ASN A 80 11.724 -3.928 -4.180 1.00 15.00 C ATOM 1172 CG ASN A 80 12.873 -4.129 -3.209 1.00 15.00 C ATOM 1173 OD1 ASN A 80 14.000 -4.412 -3.615 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.594 -3.983 -1.918 1.00 15.00 N ATOM 0 H ASN A 80 10.515 -2.539 -2.527 1.00 15.00 H new ATOM 0 HA ASN A 80 12.340 -1.900 -4.585 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.834 -4.425 -3.793 1.00 15.00 H new ATOM 0 HB3 ASN A 80 11.968 -4.404 -5.130 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.328 -4.106 -1.221 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.646 -3.748 -1.625 1.00 15.00 H new ATOM 1181 N THR A 81 10.267 -1.078 -6.079 1.00 15.00 N ATOM 1182 CA THR A 81 9.462 -0.840 -7.272 1.00 15.00 C ATOM 1183 C THR A 81 10.373 -0.660 -8.483 1.00 15.00 C ATOM 1184 O THR A 81 10.495 -1.556 -9.318 1.00 15.00 O ATOM 1185 CB THR A 81 8.568 0.388 -7.084 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.939 1.107 -5.921 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.098 0.049 -6.962 1.00 15.00 C ATOM 0 H THR A 81 10.585 -0.233 -5.605 1.00 15.00 H new ATOM 0 HA THR A 81 8.818 -1.703 -7.440 1.00 15.00 H new ATOM 0 HB THR A 81 8.713 0.987 -7.983 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.419 0.783 -5.156 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.523 0.966 -6.831 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.766 -0.462 -7.866 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.945 -0.602 -6.101 1.00 15.00 H new ATOM 1195 N GLY A 82 11.026 0.496 -8.563 1.00 15.00 N ATOM 1196 CA GLY A 82 11.932 0.761 -9.660 1.00 15.00 C ATOM 1197 C GLY A 82 11.562 1.996 -10.454 1.00 15.00 C ATOM 1198 O GLY A 82 11.768 3.124 -10.004 1.00 15.00 O ATOM 0 H GLY A 82 10.942 1.253 -7.885 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.942 0.878 -9.268 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.947 -0.101 -10.327 1.00 15.00 H new ATOM 1202 N GLN A 83 11.032 1.774 -11.645 1.00 15.00 N ATOM 1203 CA GLN A 83 10.642 2.864 -12.537 1.00 15.00 C ATOM 1204 C GLN A 83 9.503 3.701 -11.954 1.00 15.00 C ATOM 1205 O GLN A 83 9.735 4.765 -11.381 1.00 15.00 O ATOM 1206 CB GLN A 83 10.246 2.325 -13.919 1.00 15.00 C ATOM 1207 CG GLN A 83 9.564 0.964 -13.890 1.00 15.00 C ATOM 1208 CD GLN A 83 8.368 0.892 -14.819 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.731 1.905 -15.108 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.057 -0.310 -15.291 1.00 15.00 N ATOM 0 H GLN A 83 10.859 0.843 -12.023 1.00 15.00 H new ATOM 0 HA GLN A 83 11.511 3.513 -12.645 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.579 3.042 -14.398 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.140 2.257 -14.539 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.284 0.195 -14.170 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.243 0.744 -12.872 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.613 -1.122 -15.024 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.262 -0.421 -15.920 1.00 15.00 H new ATOM 1219 N VAL A 84 8.274 3.222 -12.117 1.00 15.00 N ATOM 1220 CA VAL A 84 7.101 3.929 -11.622 1.00 15.00 C ATOM 1221 C VAL A 84 6.478 3.189 -10.443 1.00 15.00 C ATOM 1222 O VAL A 84 6.680 1.986 -10.269 1.00 15.00 O ATOM 1223 CB VAL A 84 6.050 4.106 -12.742 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.738 4.647 -12.191 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.590 5.025 -13.826 1.00 15.00 C ATOM 0 H VAL A 84 8.065 2.343 -12.590 1.00 15.00 H new ATOM 0 HA VAL A 84 7.426 4.914 -11.287 1.00 15.00 H new ATOM 0 HB VAL A 84 5.849 3.126 -13.175 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.021 4.760 -13.004 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.341 3.953 -11.450 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.912 5.616 -11.723 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.841 5.142 -14.610 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.821 5.999 -13.395 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.496 4.593 -14.251 1.00 15.00 H new ATOM 1235 N VAL A 85 5.714 3.913 -9.639 1.00 15.00 N ATOM 1236 CA VAL A 85 5.061 3.329 -8.482 1.00 15.00 C ATOM 1237 C VAL A 85 3.610 2.978 -8.805 1.00 15.00 C ATOM 1238 O VAL A 85 2.688 3.722 -8.472 1.00 15.00 O ATOM 1239 CB VAL A 85 5.123 4.295 -7.276 1.00 15.00 C ATOM 1240 CG1 VAL A 85 4.091 3.941 -6.217 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.523 4.308 -6.680 1.00 15.00 C ATOM 0 H VAL A 85 5.532 4.908 -9.769 1.00 15.00 H new ATOM 0 HA VAL A 85 5.590 2.413 -8.219 1.00 15.00 H new ATOM 0 HB VAL A 85 4.886 5.295 -7.639 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.167 4.643 -5.386 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.092 3.997 -6.649 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.274 2.929 -5.855 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.551 4.992 -5.832 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.785 3.304 -6.345 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.237 4.637 -7.435 1.00 15.00 H new ATOM 1251 N HIS A 86 3.420 1.833 -9.455 1.00 15.00 N ATOM 1252 CA HIS A 86 2.087 1.369 -9.823 1.00 15.00 C ATOM 1253 C HIS A 86 1.633 0.263 -8.877 1.00 15.00 C ATOM 1254 O HIS A 86 1.780 -0.923 -9.173 1.00 15.00 O ATOM 1255 CB HIS A 86 2.077 0.865 -11.268 1.00 15.00 C ATOM 1256 CG HIS A 86 0.899 1.341 -12.060 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.384 0.879 -11.853 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.814 2.247 -13.064 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.207 1.479 -12.696 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.505 2.313 -13.440 1.00 15.00 N ATOM 0 H HIS A 86 4.175 1.208 -9.738 1.00 15.00 H new ATOM 0 HA HIS A 86 1.394 2.206 -9.742 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.992 1.189 -11.763 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.085 -0.225 -11.264 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.631 2.812 -13.489 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.272 1.315 -12.764 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -0.882 2.910 -14.176 1.00 15.00 H new ATOM 1269 N LEU A 87 1.098 0.663 -7.730 1.00 15.00 N ATOM 1270 CA LEU A 87 0.639 -0.287 -6.724 1.00 15.00 C ATOM 1271 C LEU A 87 -0.872 -0.480 -6.777 1.00 15.00 C ATOM 1272 O LEU A 87 -1.633 0.457 -6.551 1.00 15.00 O ATOM 1273 CB LEU A 87 1.046 0.197 -5.332 1.00 15.00 C ATOM 1274 CG LEU A 87 1.994 -0.732 -4.580 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.143 0.053 -3.963 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.236 -1.504 -3.512 1.00 15.00 C ATOM 0 H LEU A 87 0.971 1.642 -7.473 1.00 15.00 H new ATOM 0 HA LEU A 87 1.108 -1.248 -6.936 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.518 1.175 -5.427 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.145 0.335 -4.734 1.00 15.00 H new ATOM 0 HG LEU A 87 2.415 -1.444 -5.290 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.806 -0.630 -3.432 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.700 0.561 -4.750 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.746 0.790 -3.265 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.924 -2.163 -2.983 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.788 -0.804 -2.806 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.452 -2.099 -3.980 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.300 -1.707 -7.054 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.722 -2.024 -7.110 1.00 15.00 C ATOM 1290 C LEU A 88 -3.196 -2.508 -5.745 1.00 15.00 C ATOM 1291 O LEU A 88 -2.959 -3.654 -5.364 1.00 15.00 O ATOM 1292 CB LEU A 88 -2.988 -3.089 -8.177 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.123 -2.556 -9.606 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.083 -1.478 -9.879 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -2.992 -3.691 -10.611 1.00 15.00 C ATOM 0 H LEU A 88 -0.683 -2.497 -7.243 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.276 -1.125 -7.378 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.177 -3.817 -8.152 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.902 -3.622 -7.916 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.112 -2.111 -9.714 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.197 -1.113 -10.900 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.223 -0.653 -9.181 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.084 -1.896 -9.752 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.090 -3.295 -11.622 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.016 -4.164 -10.500 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.775 -4.428 -10.432 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.846 -1.620 -5.006 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.332 -1.944 -3.670 1.00 15.00 C ATOM 1309 C LEU A 89 -5.843 -2.138 -3.653 1.00 15.00 C ATOM 1310 O LEU A 89 -6.469 -2.376 -4.686 1.00 15.00 O ATOM 1311 CB LEU A 89 -3.957 -0.838 -2.681 1.00 15.00 C ATOM 1312 CG LEU A 89 -2.893 0.134 -3.168 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.847 1.360 -2.277 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.545 -0.553 -3.205 1.00 15.00 C ATOM 0 H LEU A 89 -4.050 -0.668 -5.309 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.859 -2.880 -3.374 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.856 -0.273 -2.434 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.608 -1.301 -1.758 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.146 0.459 -4.177 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.080 2.045 -2.640 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.816 1.858 -2.294 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.611 1.059 -1.256 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.788 0.149 -3.555 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.285 -0.898 -2.204 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.590 -1.406 -3.883 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.418 -2.017 -2.461 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.854 -2.157 -2.276 1.00 15.00 C ATOM 1328 C GLU A 90 -8.358 -1.129 -1.266 1.00 15.00 C ATOM 1329 O GLU A 90 -7.660 -0.790 -0.310 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.195 -3.581 -1.818 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.425 -3.674 -0.927 1.00 15.00 C ATOM 1332 CD GLU A 90 -10.049 -5.056 -0.936 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.357 -6.022 -0.553 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -11.230 -5.171 -1.326 1.00 15.00 O ATOM 0 H GLU A 90 -5.904 -1.820 -1.602 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.351 -1.976 -3.229 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.350 -4.206 -2.698 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.340 -3.992 -1.281 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.150 -3.410 0.094 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.164 -2.944 -1.257 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.570 -0.634 -1.487 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.163 0.357 -0.598 1.00 15.00 C ATOM 1343 C LYS A 91 -10.222 -0.161 0.835 1.00 15.00 C ATOM 1344 O LYS A 91 -11.032 -1.029 1.161 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.564 0.728 -1.081 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.085 2.031 -0.495 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.283 3.226 -0.988 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.479 3.861 0.135 1.00 15.00 C ATOM 1349 NZ LYS A 91 -10.542 5.348 0.091 1.00 15.00 N ATOM 0 H LYS A 91 -10.161 -0.903 -2.274 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.534 1.247 -0.614 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.556 0.806 -2.168 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.253 -0.077 -0.825 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.133 2.159 -0.765 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -12.040 1.985 0.593 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.610 2.910 -1.785 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -11.958 3.966 -1.417 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.857 3.510 1.095 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -9.440 3.539 0.064 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -9.981 5.743 0.873 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -10.158 5.685 -0.815 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -11.531 5.656 0.184 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.355 0.377 1.687 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.319 -0.042 3.075 1.00 15.00 C ATOM 1365 C GLY A 92 -10.543 0.405 3.850 1.00 15.00 C ATOM 1366 O GLY A 92 -11.314 1.240 3.378 1.00 15.00 O ATOM 0 H GLY A 92 -8.676 1.097 1.440 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.241 -1.128 3.121 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.425 0.362 3.550 1.00 15.00 H new ATOM 1370 N GLN A 93 -10.721 -0.155 5.042 1.00 15.00 N ATOM 1371 CA GLN A 93 -11.859 0.189 5.885 1.00 15.00 C ATOM 1372 C GLN A 93 -11.554 1.418 6.736 1.00 15.00 C ATOM 1373 O GLN A 93 -10.431 1.594 7.209 1.00 15.00 O ATOM 1374 CB GLN A 93 -12.227 -0.991 6.787 1.00 15.00 C ATOM 1375 CG GLN A 93 -13.645 -0.923 7.330 1.00 15.00 C ATOM 1376 CD GLN A 93 -14.037 -2.174 8.092 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -13.305 -2.639 8.965 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -15.200 -2.726 7.764 1.00 15.00 N ATOM 0 H GLN A 93 -10.092 -0.849 5.445 1.00 15.00 H new ATOM 0 HA GLN A 93 -12.704 0.419 5.236 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -12.106 -1.918 6.226 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -11.528 -1.030 7.623 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -13.738 -0.058 7.987 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -14.340 -0.772 6.504 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -15.776 -2.307 7.034 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -15.517 -3.569 8.243 1.00 15.00 H new ATOM 1387 N SER A 94 -12.560 2.264 6.927 1.00 15.00 N ATOM 1388 CA SER A 94 -12.399 3.476 7.721 1.00 15.00 C ATOM 1389 C SER A 94 -12.520 3.170 9.212 1.00 15.00 C ATOM 1390 O SER A 94 -13.218 2.237 9.607 1.00 15.00 O ATOM 1391 CB SER A 94 -13.442 4.520 7.315 1.00 15.00 C ATOM 1392 OG SER A 94 -12.887 5.479 6.431 1.00 15.00 O ATOM 0 H SER A 94 -13.496 2.133 6.543 1.00 15.00 H new ATOM 0 HA SER A 94 -11.403 3.876 7.531 1.00 15.00 H new ATOM 0 HB2 SER A 94 -14.288 4.026 6.836 1.00 15.00 H new ATOM 0 HB3 SER A 94 -13.826 5.020 8.204 1.00 15.00 H new ATOM 0 HG SER A 94 -13.574 6.134 6.185 1.00 15.00 H new ATOM 1398 N PRO A 95 -11.838 3.956 10.062 1.00 15.00 N ATOM 1399 CA PRO A 95 -11.873 3.765 11.515 1.00 15.00 C ATOM 1400 C PRO A 95 -13.297 3.685 12.055 1.00 15.00 C ATOM 1401 O PRO A 95 -13.654 2.736 12.754 1.00 15.00 O ATOM 1402 CB PRO A 95 -11.166 5.010 12.055 1.00 15.00 C ATOM 1403 CG PRO A 95 -10.267 5.444 10.949 1.00 15.00 C ATOM 1404 CD PRO A 95 -10.981 5.093 9.673 1.00 15.00 C ATOM 0 HA PRO A 95 -11.402 2.828 11.814 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -11.881 5.791 12.313 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -10.601 4.784 12.959 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -10.070 6.515 11.004 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -9.303 4.939 11.009 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -11.570 5.930 9.299 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -10.281 4.817 8.884 1.00 15.00 H new ATOM 1412 N THR A 96 -14.106 4.687 11.726 1.00 15.00 N ATOM 1413 CA THR A 96 -15.491 4.730 12.178 1.00 15.00 C ATOM 1414 C THR A 96 -16.427 4.161 11.116 1.00 15.00 C ATOM 1415 O THR A 96 -17.462 3.573 11.495 1.00 15.00 O ATOM 1416 CB THR A 96 -15.896 6.166 12.515 1.00 15.00 C ATOM 1417 OG1 THR A 96 -14.947 6.764 13.379 1.00 15.00 O ATOM 1418 CG2 THR A 96 -17.251 6.265 13.181 1.00 15.00 C ATOM 1419 OXT THR A 96 -16.118 4.309 9.915 1.00 15.00 O ATOM 0 H THR A 96 -13.826 5.480 11.148 1.00 15.00 H new ATOM 0 HA THR A 96 -15.573 4.117 13.076 1.00 15.00 H new ATOM 0 HB THR A 96 -15.942 6.686 11.558 1.00 15.00 H new ATOM 0 HG1 THR A 96 -15.222 7.682 13.582 1.00 15.00 H new ATOM 0 HG21 THR A 96 -17.477 7.310 13.393 1.00 15.00 H new ATOM 0 HG22 THR A 96 -18.013 5.856 12.518 1.00 15.00 H new ATOM 0 HG23 THR A 96 -17.240 5.700 14.113 1.00 15.00 H new TER 1427 THR A 96