USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 725 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 37 MET CE :methyl 147:sc= -0.778 (180deg=-3.18!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 5 LYS NZ :NH3+ -129:sc= -0.0117 (180deg=-0.143) USER MOD Single : A 7 ASN : amide:sc= -3.07! C(o=-3.1!,f=-3.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -31:sc= 0.855 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0068 X(o=-0.0068,f=0.012) USER MOD Single : A 24 GLN : amide:sc= -0.0487 X(o=-0.049,f=-0.44) USER MOD Single : A 25 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.28) USER MOD Single : A 28 ASN : amide:sc= -0.953 K(o=-0.95,f=-6.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -106:sc= -0.683 (180deg=-4.57!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0101 K(o=-0.01,f=-0.85) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -14:sc= 1.1 USER MOD Single : A 54 GLN : amide:sc=-0.00402 X(o=-0.004,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.0081) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.181 F(o=-0.94,f=-0.18) USER MOD Single : A 76 THR OG1 : rot -79:sc= 0.852 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.675 -12.400 -9.956 1.00 0.00 N ATOM 31 CA LEU A 3 -10.297 -12.187 -8.564 1.00 0.00 C ATOM 32 C LEU A 3 -11.131 -13.062 -7.633 1.00 0.00 C ATOM 33 O LEU A 3 -12.318 -12.811 -7.426 1.00 0.00 O ATOM 34 CB LEU A 3 -10.469 -10.714 -8.186 1.00 0.00 C ATOM 35 CG LEU A 3 -9.260 -9.825 -8.482 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.708 -8.413 -8.828 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.308 -9.810 -7.297 1.00 0.00 C ATOM 0 HA LEU A 3 -9.249 -12.464 -8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.333 -10.316 -8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.695 -10.652 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.731 -10.236 -9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.835 -7.795 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.351 -8.441 -9.708 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.260 -7.991 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.454 -9.173 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.826 -9.423 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.961 -10.824 -7.096 1.00 0.00 H new ATOM 49 N LEU A 4 -10.502 -14.091 -7.076 1.00 0.00 N ATOM 50 CA LEU A 4 -11.184 -15.005 -6.168 1.00 0.00 C ATOM 51 C LEU A 4 -11.715 -14.261 -4.946 1.00 0.00 C ATOM 52 O LEU A 4 -11.273 -13.153 -4.641 1.00 0.00 O ATOM 53 CB LEU A 4 -10.238 -16.124 -5.729 1.00 0.00 C ATOM 54 CG LEU A 4 -10.899 -17.488 -5.526 1.00 0.00 C ATOM 55 CD1 LEU A 4 -11.424 -18.028 -6.847 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.916 -18.467 -4.902 1.00 0.00 C ATOM 0 H LEU A 4 -9.520 -14.313 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.029 -15.443 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.450 -16.227 -6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.757 -15.828 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.742 -17.365 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.891 -18.999 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.160 -17.336 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.598 -18.137 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.402 -19.433 -4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.054 -18.585 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.587 -18.086 -3.936 1.00 0.00 H new ATOM 68 N LYS A 5 -12.664 -14.878 -4.250 1.00 0.00 N ATOM 69 CA LYS A 5 -13.253 -14.275 -3.061 1.00 0.00 C ATOM 70 C LYS A 5 -12.211 -14.112 -1.959 1.00 0.00 C ATOM 71 O LYS A 5 -12.083 -13.041 -1.365 1.00 0.00 O ATOM 72 CB LYS A 5 -14.418 -15.129 -2.554 1.00 0.00 C ATOM 73 CG LYS A 5 -15.483 -14.331 -1.820 1.00 0.00 C ATOM 74 CD LYS A 5 -16.637 -13.966 -2.739 1.00 0.00 C ATOM 75 CE LYS A 5 -16.233 -12.902 -3.747 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.851 -13.495 -5.058 1.00 0.00 N ATOM 0 H LYS A 5 -13.041 -15.795 -4.489 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.626 -13.287 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.878 -15.641 -3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.030 -15.900 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.857 -14.911 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.041 -13.423 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.979 -14.857 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.476 -13.605 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.059 -12.206 -3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.396 -12.326 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.926 -13.122 -5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.794 -14.529 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.566 -13.249 -5.772 1.00 0.00 H new ATOM 90 N ALA A 6 -11.467 -15.181 -1.692 1.00 0.00 N ATOM 91 CA ALA A 6 -10.437 -15.156 -0.663 1.00 0.00 C ATOM 92 C ALA A 6 -9.253 -14.294 -1.091 1.00 0.00 C ATOM 93 O ALA A 6 -8.680 -13.564 -0.283 1.00 0.00 O ATOM 94 CB ALA A 6 -9.974 -16.570 -0.345 1.00 0.00 C ATOM 0 H ALA A 6 -11.559 -16.075 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.868 -14.715 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.204 -16.536 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.819 -17.158 0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.566 -17.030 -1.245 1.00 0.00 H new ATOM 100 N ASN A 7 -8.894 -14.385 -2.367 1.00 0.00 N ATOM 101 CA ASN A 7 -7.779 -13.613 -2.903 1.00 0.00 C ATOM 102 C ASN A 7 -8.088 -12.119 -2.875 1.00 0.00 C ATOM 103 O ASN A 7 -7.274 -11.316 -2.422 1.00 0.00 O ATOM 104 CB ASN A 7 -7.466 -14.055 -4.335 1.00 0.00 C ATOM 105 CG ASN A 7 -6.432 -15.161 -4.384 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.540 -15.156 -5.234 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.545 -16.121 -3.473 1.00 0.00 N ATOM 0 H ASN A 7 -9.358 -14.985 -3.049 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.907 -13.797 -2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.383 -14.397 -4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.106 -13.199 -4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.878 -16.892 -3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.299 -16.087 -2.787 1.00 0.00 H new ATOM 114 N LYS A 8 -9.269 -11.756 -3.364 1.00 0.00 N ATOM 115 CA LYS A 8 -9.687 -10.359 -3.395 1.00 0.00 C ATOM 116 C LYS A 8 -9.947 -9.838 -1.985 1.00 0.00 C ATOM 117 O LYS A 8 -9.633 -8.691 -1.669 1.00 0.00 O ATOM 118 CB LYS A 8 -10.945 -10.200 -4.250 1.00 0.00 C ATOM 119 CG LYS A 8 -11.214 -8.766 -4.677 1.00 0.00 C ATOM 120 CD LYS A 8 -12.379 -8.683 -5.649 1.00 0.00 C ATOM 121 CE LYS A 8 -12.968 -7.282 -5.694 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.404 -7.295 -6.086 1.00 0.00 N ATOM 0 H LYS A 8 -9.954 -12.410 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.880 -9.774 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.851 -10.823 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.804 -10.571 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.428 -8.158 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.320 -8.350 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.044 -8.970 -6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.151 -9.394 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.863 -6.813 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.404 -6.674 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.768 -6.321 -6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.502 -7.719 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.947 -7.854 -5.397 1.00 0.00 H new ATOM 136 N ASP A 9 -10.523 -10.690 -1.142 1.00 0.00 N ATOM 137 CA ASP A 9 -10.826 -10.315 0.234 1.00 0.00 C ATOM 138 C ASP A 9 -9.551 -9.968 0.996 1.00 0.00 C ATOM 139 O ASP A 9 -9.564 -9.132 1.900 1.00 0.00 O ATOM 140 CB ASP A 9 -11.564 -11.452 0.943 1.00 0.00 C ATOM 141 CG ASP A 9 -13.058 -11.417 0.691 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.633 -10.308 0.679 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.654 -12.498 0.504 1.00 0.00 O ATOM 0 H ASP A 9 -10.789 -11.644 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.466 -9.433 0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.164 -12.408 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.378 -11.390 2.015 1.00 0.00 H new ATOM 148 N LEU A 10 -8.450 -10.614 0.625 1.00 0.00 N ATOM 149 CA LEU A 10 -7.168 -10.375 1.272 1.00 0.00 C ATOM 150 C LEU A 10 -6.650 -8.975 0.950 1.00 0.00 C ATOM 151 O LEU A 10 -6.182 -8.258 1.834 1.00 0.00 O ATOM 152 CB LEU A 10 -6.152 -11.429 0.827 1.00 0.00 C ATOM 153 CG LEU A 10 -5.733 -12.421 1.911 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.743 -13.433 1.356 1.00 0.00 C ATOM 155 CD2 LEU A 10 -5.137 -11.687 3.103 1.00 0.00 C ATOM 0 H LEU A 10 -8.422 -11.308 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.308 -10.448 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.572 -11.986 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.262 -10.920 0.458 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.620 -12.959 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.456 -14.131 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.205 -13.981 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.857 -12.913 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.844 -12.409 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.261 -11.123 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.878 -11.003 3.517 1.00 0.00 H new ATOM 167 N ILE A 11 -6.740 -8.595 -0.320 1.00 0.00 N ATOM 168 CA ILE A 11 -6.282 -7.283 -0.758 1.00 0.00 C ATOM 169 C ILE A 11 -7.203 -6.181 -0.246 1.00 0.00 C ATOM 170 O ILE A 11 -6.753 -5.081 0.073 1.00 0.00 O ATOM 171 CB ILE A 11 -6.202 -7.198 -2.295 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.423 -8.390 -2.855 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.555 -5.889 -2.721 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.303 -8.380 -4.362 1.00 0.00 C ATOM 0 H ILE A 11 -7.126 -9.177 -1.063 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.284 -7.142 -0.343 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.214 -7.228 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.424 -8.398 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.913 -9.312 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.506 -5.845 -3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.147 -5.053 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.547 -5.830 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.739 -9.254 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.298 -8.404 -4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.785 -7.475 -4.680 1.00 0.00 H new ATOM 186 N SER A 12 -8.495 -6.485 -0.170 1.00 0.00 N ATOM 187 CA SER A 12 -9.481 -5.519 0.305 1.00 0.00 C ATOM 188 C SER A 12 -9.138 -5.038 1.711 1.00 0.00 C ATOM 189 O SER A 12 -9.238 -3.848 2.011 1.00 0.00 O ATOM 190 CB SER A 12 -10.879 -6.138 0.290 1.00 0.00 C ATOM 191 OG SER A 12 -10.979 -7.194 1.230 1.00 0.00 O ATOM 0 H SER A 12 -8.884 -7.391 -0.431 1.00 0.00 H new ATOM 0 HA SER A 12 -9.465 -4.660 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.621 -5.373 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.103 -6.513 -0.708 1.00 0.00 H new ATOM 0 HG SER A 12 -10.108 -7.634 1.321 1.00 0.00 H new ATOM 197 N ALA A 13 -8.732 -5.969 2.567 1.00 0.00 N ATOM 198 CA ALA A 13 -8.372 -5.637 3.940 1.00 0.00 C ATOM 199 C ALA A 13 -7.215 -4.645 3.974 1.00 0.00 C ATOM 200 O ALA A 13 -7.257 -3.650 4.699 1.00 0.00 O ATOM 201 CB ALA A 13 -8.012 -6.897 4.711 1.00 0.00 C ATOM 0 H ALA A 13 -8.644 -6.958 2.335 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.235 -5.170 4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.745 -6.634 5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.866 -7.574 4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.166 -7.388 4.231 1.00 0.00 H new ATOM 207 N GLY A 14 -6.184 -4.921 3.183 1.00 0.00 N ATOM 208 CA GLY A 14 -5.030 -4.043 3.133 1.00 0.00 C ATOM 209 C GLY A 14 -5.349 -2.703 2.500 1.00 0.00 C ATOM 210 O GLY A 14 -4.796 -1.676 2.893 1.00 0.00 O ATOM 0 H GLY A 14 -6.127 -5.738 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.654 -3.884 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.233 -4.527 2.569 1.00 0.00 H new ATOM 214 N LEU A 15 -6.245 -2.714 1.517 1.00 0.00 N ATOM 215 CA LEU A 15 -6.639 -1.490 0.827 1.00 0.00 C ATOM 216 C LEU A 15 -7.183 -0.458 1.811 1.00 0.00 C ATOM 217 O LEU A 15 -6.821 0.718 1.756 1.00 0.00 O ATOM 218 CB LEU A 15 -7.689 -1.801 -0.243 1.00 0.00 C ATOM 219 CG LEU A 15 -7.333 -1.328 -1.654 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.428 -1.712 -2.637 1.00 0.00 C ATOM 221 CD2 LEU A 15 -7.102 0.175 -1.670 1.00 0.00 C ATOM 0 H LEU A 15 -6.711 -3.556 1.181 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.754 -1.071 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.853 -2.878 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.633 -1.342 0.051 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.410 -1.820 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.158 -1.368 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.545 -2.796 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.367 -1.248 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.850 0.494 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.008 0.686 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.282 0.424 -0.996 1.00 0.00 H new ATOM 233 N LYS A 16 -8.052 -0.906 2.710 1.00 0.00 N ATOM 234 CA LYS A 16 -8.646 -0.022 3.706 1.00 0.00 C ATOM 235 C LYS A 16 -7.605 0.421 4.730 1.00 0.00 C ATOM 236 O LYS A 16 -7.684 1.524 5.272 1.00 0.00 O ATOM 237 CB LYS A 16 -9.808 -0.722 4.412 1.00 0.00 C ATOM 238 CG LYS A 16 -9.401 -1.994 5.139 1.00 0.00 C ATOM 239 CD LYS A 16 -10.382 -2.342 6.246 1.00 0.00 C ATOM 240 CE LYS A 16 -9.871 -1.892 7.605 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.519 -2.639 8.718 1.00 0.00 N ATOM 0 H LYS A 16 -8.361 -1.876 2.770 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.023 0.862 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.256 -0.032 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.576 -0.963 3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.346 -2.819 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.404 -1.870 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.343 -1.870 6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.552 -3.419 6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.791 -2.035 7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.057 -0.825 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.143 -2.302 9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.547 -2.483 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.320 -3.655 8.616 1.00 0.00 H new ATOM 255 N GLU A 17 -6.632 -0.445 4.990 1.00 0.00 N ATOM 256 CA GLU A 17 -5.576 -0.143 5.950 1.00 0.00 C ATOM 257 C GLU A 17 -4.796 1.098 5.527 1.00 0.00 C ATOM 258 O GLU A 17 -4.432 1.928 6.361 1.00 0.00 O ATOM 259 CB GLU A 17 -4.626 -1.334 6.086 1.00 0.00 C ATOM 260 CG GLU A 17 -5.104 -2.383 7.077 1.00 0.00 C ATOM 261 CD GLU A 17 -4.185 -3.587 7.141 1.00 0.00 C ATOM 262 OE1 GLU A 17 -3.077 -3.459 7.703 1.00 0.00 O ATOM 263 OE2 GLU A 17 -4.574 -4.658 6.629 1.00 0.00 O ATOM 0 H GLU A 17 -6.552 -1.362 4.550 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.042 0.053 6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.499 -1.800 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.646 -0.973 6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.178 -1.934 8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.106 -2.710 6.799 1.00 0.00 H new ATOM 270 N PHE A 18 -4.543 1.219 4.229 1.00 0.00 N ATOM 271 CA PHE A 18 -3.806 2.359 3.697 1.00 0.00 C ATOM 272 C PHE A 18 -4.664 3.620 3.720 1.00 0.00 C ATOM 273 O PHE A 18 -4.161 4.720 3.953 1.00 0.00 O ATOM 274 CB PHE A 18 -3.341 2.071 2.268 1.00 0.00 C ATOM 275 CG PHE A 18 -1.983 2.632 1.955 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.836 1.940 2.304 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.855 3.852 1.310 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.415 2.453 2.016 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.608 4.371 1.021 1.00 0.00 C ATOM 280 CZ PHE A 18 0.529 3.671 1.375 1.00 0.00 C ATOM 0 H PHE A 18 -4.837 0.542 3.526 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.934 2.523 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.325 0.993 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.067 2.485 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.919 0.988 2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.741 4.403 1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.302 1.902 2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.522 5.323 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.505 4.075 1.151 1.00 0.00 H new ATOM 290 N SER A 19 -5.960 3.453 3.479 1.00 0.00 N ATOM 291 CA SER A 19 -6.888 4.578 3.472 1.00 0.00 C ATOM 292 C SER A 19 -6.999 5.201 4.860 1.00 0.00 C ATOM 293 O SER A 19 -6.860 6.413 5.020 1.00 0.00 O ATOM 294 CB SER A 19 -8.267 4.126 2.992 1.00 0.00 C ATOM 295 OG SER A 19 -9.008 5.214 2.466 1.00 0.00 O ATOM 0 H SER A 19 -6.392 2.549 3.286 1.00 0.00 H new ATOM 0 HA SER A 19 -6.501 5.331 2.785 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.155 3.356 2.229 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.814 3.676 3.821 1.00 0.00 H new ATOM 0 HG SER A 19 -9.885 4.897 2.165 1.00 0.00 H new ATOM 301 N VAL A 20 -7.249 4.363 5.861 1.00 0.00 N ATOM 302 CA VAL A 20 -7.379 4.833 7.235 1.00 0.00 C ATOM 303 C VAL A 20 -6.063 5.412 7.741 1.00 0.00 C ATOM 304 O VAL A 20 -6.033 6.484 8.346 1.00 0.00 O ATOM 305 CB VAL A 20 -7.836 3.697 8.175 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.732 2.666 8.371 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.293 4.261 9.512 1.00 0.00 C ATOM 0 H VAL A 20 -7.365 3.356 5.746 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.137 5.616 7.237 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.682 3.193 7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.084 1.879 9.038 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.464 2.233 7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.858 3.148 8.808 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.611 3.445 10.161 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.469 4.798 9.981 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.127 4.945 9.353 1.00 0.00 H new ATOM 317 N LEU A 21 -4.978 4.690 7.488 1.00 0.00 N ATOM 318 CA LEU A 21 -3.652 5.123 7.915 1.00 0.00 C ATOM 319 C LEU A 21 -3.311 6.491 7.332 1.00 0.00 C ATOM 320 O LEU A 21 -2.661 7.309 7.983 1.00 0.00 O ATOM 321 CB LEU A 21 -2.598 4.099 7.490 1.00 0.00 C ATOM 322 CG LEU A 21 -1.267 4.191 8.238 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.338 3.428 9.551 1.00 0.00 C ATOM 324 CD2 LEU A 21 -0.132 3.662 7.373 1.00 0.00 C ATOM 0 H LEU A 21 -4.990 3.801 6.989 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.656 5.202 9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.008 3.099 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.407 4.218 6.424 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.070 5.239 8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.382 3.505 10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.124 3.852 10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.559 2.380 9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.807 3.735 7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.324 2.620 7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.066 4.252 6.459 1.00 0.00 H new ATOM 336 N LEU A 22 -3.755 6.732 6.103 1.00 0.00 N ATOM 337 CA LEU A 22 -3.498 8.001 5.433 1.00 0.00 C ATOM 338 C LEU A 22 -4.301 9.128 6.076 1.00 0.00 C ATOM 339 O LEU A 22 -3.863 10.278 6.104 1.00 0.00 O ATOM 340 CB LEU A 22 -3.845 7.897 3.946 1.00 0.00 C ATOM 341 CG LEU A 22 -2.838 7.116 3.100 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.473 6.669 1.792 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.600 7.959 2.834 1.00 0.00 C ATOM 0 H LEU A 22 -4.294 6.065 5.551 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.437 8.229 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.822 7.424 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.936 8.904 3.538 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.536 6.228 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.742 6.115 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.329 6.028 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.804 7.543 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.894 7.388 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.885 8.865 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.133 8.229 3.781 1.00 0.00 H new ATOM 355 N ASN A 23 -5.477 8.788 6.592 1.00 0.00 N ATOM 356 CA ASN A 23 -6.344 9.770 7.235 1.00 0.00 C ATOM 357 C ASN A 23 -5.687 10.338 8.489 1.00 0.00 C ATOM 358 O ASN A 23 -5.960 11.472 8.885 1.00 0.00 O ATOM 359 CB ASN A 23 -7.689 9.138 7.592 1.00 0.00 C ATOM 360 CG ASN A 23 -8.711 9.287 6.482 1.00 0.00 C ATOM 361 OD1 ASN A 23 -9.097 8.309 5.840 1.00 0.00 O ATOM 362 ND2 ASN A 23 -9.156 10.517 6.249 1.00 0.00 N ATOM 0 H ASN A 23 -5.852 7.840 6.578 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.510 10.586 6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.544 8.080 7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.074 9.600 8.501 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.844 10.680 5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.809 11.299 6.805 1.00 0.00 H new ATOM 369 N GLN A 24 -4.822 9.544 9.112 1.00 0.00 N ATOM 370 CA GLN A 24 -4.129 9.969 10.322 1.00 0.00 C ATOM 371 C GLN A 24 -3.252 11.188 10.049 1.00 0.00 C ATOM 372 O GLN A 24 -3.042 12.023 10.928 1.00 0.00 O ATOM 373 CB GLN A 24 -3.276 8.826 10.875 1.00 0.00 C ATOM 374 CG GLN A 24 -3.250 8.765 12.394 1.00 0.00 C ATOM 375 CD GLN A 24 -4.549 8.248 12.978 1.00 0.00 C ATOM 376 OE1 GLN A 24 -5.489 9.011 13.203 1.00 0.00 O ATOM 377 NE2 GLN A 24 -4.609 6.945 13.228 1.00 0.00 N ATOM 0 H GLN A 24 -4.585 8.603 8.799 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.880 10.244 11.062 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.656 7.880 10.488 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.256 8.934 10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.430 8.122 12.714 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.048 9.760 12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.806 6.349 13.026 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.458 6.540 13.622 1.00 0.00 H new ATOM 386 N GLN A 25 -2.743 11.283 8.825 1.00 0.00 N ATOM 387 CA GLN A 25 -1.890 12.400 8.437 1.00 0.00 C ATOM 388 C GLN A 25 -2.630 13.726 8.580 1.00 0.00 C ATOM 389 O GLN A 25 -3.812 13.827 8.253 1.00 0.00 O ATOM 390 CB GLN A 25 -1.409 12.225 6.995 1.00 0.00 C ATOM 391 CG GLN A 25 -0.135 11.404 6.874 1.00 0.00 C ATOM 392 CD GLN A 25 1.031 12.027 7.615 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.343 13.204 7.429 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.684 11.239 8.463 1.00 0.00 N ATOM 0 H GLN A 25 -2.906 10.600 8.085 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.027 12.413 9.102 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.197 11.746 6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.241 13.208 6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.314 10.402 7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.125 11.295 5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.392 10.270 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.477 11.604 8.990 1.00 0.00 H new ATOM 403 N VAL A 26 -1.926 14.741 9.071 1.00 0.00 N ATOM 404 CA VAL A 26 -2.516 16.061 9.259 1.00 0.00 C ATOM 405 C VAL A 26 -1.925 17.071 8.281 1.00 0.00 C ATOM 406 O VAL A 26 -2.600 18.011 7.861 1.00 0.00 O ATOM 407 CB VAL A 26 -2.305 16.572 10.696 1.00 0.00 C ATOM 408 CG1 VAL A 26 -3.099 17.847 10.931 1.00 0.00 C ATOM 409 CG2 VAL A 26 -2.689 15.501 11.706 1.00 0.00 C ATOM 0 H VAL A 26 -0.946 14.674 9.346 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.585 15.959 9.071 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.248 16.801 10.829 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.937 18.193 11.952 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.770 18.615 10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.160 17.648 10.779 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.533 15.881 12.716 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.739 15.237 11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.071 14.617 11.551 1.00 0.00 H new ATOM 419 N PHE A 27 -0.660 16.872 7.924 1.00 0.00 N ATOM 420 CA PHE A 27 0.021 17.767 6.995 1.00 0.00 C ATOM 421 C PHE A 27 0.085 19.184 7.554 1.00 0.00 C ATOM 422 O PHE A 27 -0.848 19.970 7.389 1.00 0.00 O ATOM 423 CB PHE A 27 -0.692 17.771 5.642 1.00 0.00 C ATOM 424 CG PHE A 27 -1.024 16.397 5.134 1.00 0.00 C ATOM 425 CD1 PHE A 27 -0.105 15.680 4.385 1.00 0.00 C ATOM 426 CD2 PHE A 27 -2.256 15.823 5.404 1.00 0.00 C ATOM 427 CE1 PHE A 27 -0.408 14.416 3.916 1.00 0.00 C ATOM 428 CE2 PHE A 27 -2.565 14.560 4.938 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.640 13.855 4.193 1.00 0.00 C ATOM 0 H PHE A 27 -0.086 16.100 8.263 1.00 0.00 H new ATOM 0 HA PHE A 27 1.039 17.403 6.859 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.612 18.350 5.727 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.063 18.278 4.910 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.859 16.114 4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.983 16.370 5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.317 13.867 3.334 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.529 14.124 5.156 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.879 12.867 3.828 1.00 0.00 H new ATOM 439 N ASN A 28 1.191 19.505 8.216 1.00 0.00 N ATOM 440 CA ASN A 28 1.377 20.829 8.799 1.00 0.00 C ATOM 441 C ASN A 28 2.789 20.992 9.354 1.00 0.00 C ATOM 442 O ASN A 28 3.397 22.054 9.225 1.00 0.00 O ATOM 443 CB ASN A 28 0.351 21.067 9.909 1.00 0.00 C ATOM 444 CG ASN A 28 0.274 19.908 10.884 1.00 0.00 C ATOM 445 OD1 ASN A 28 -0.157 18.811 10.529 1.00 0.00 O ATOM 446 ND2 ASN A 28 0.694 20.146 12.121 1.00 0.00 N ATOM 0 H ASN A 28 1.973 18.866 8.362 1.00 0.00 H new ATOM 0 HA ASN A 28 1.231 21.567 8.010 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.610 21.977 10.450 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.631 21.229 9.464 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.667 19.404 12.820 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.044 21.071 12.372 1.00 0.00 H new ATOM 453 N ASP A 29 3.304 19.935 9.975 1.00 0.00 N ATOM 454 CA ASP A 29 4.645 19.964 10.551 1.00 0.00 C ATOM 455 C ASP A 29 5.495 18.827 10.051 1.00 0.00 C ATOM 456 O ASP A 29 6.168 18.156 10.834 1.00 0.00 O ATOM 457 CB ASP A 29 4.570 19.943 12.079 1.00 0.00 C ATOM 458 CG ASP A 29 4.359 21.323 12.668 1.00 0.00 C ATOM 459 OD1 ASP A 29 5.230 22.194 12.466 1.00 0.00 O ATOM 460 OD2 ASP A 29 3.322 21.533 13.331 1.00 0.00 O ATOM 0 H ASP A 29 2.814 19.048 10.092 1.00 0.00 H new ATOM 0 HA ASP A 29 5.119 20.892 10.231 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.755 19.290 12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.490 19.517 12.479 1.00 0.00 H new ATOM 465 N PRO A 30 5.529 18.611 8.730 1.00 0.00 N ATOM 466 CA PRO A 30 6.363 17.574 8.184 1.00 0.00 C ATOM 467 C PRO A 30 7.794 18.065 8.081 1.00 0.00 C ATOM 468 O PRO A 30 8.087 19.049 7.403 1.00 0.00 O ATOM 469 CB PRO A 30 5.765 17.348 6.798 1.00 0.00 C ATOM 470 CG PRO A 30 5.228 18.684 6.405 1.00 0.00 C ATOM 471 CD PRO A 30 4.815 19.370 7.684 1.00 0.00 C ATOM 0 HA PRO A 30 6.391 16.667 8.787 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.518 16.999 6.092 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.978 16.595 6.823 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.984 19.267 5.878 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.379 18.578 5.729 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.101 20.422 7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.735 19.333 7.828 1.00 0.00 H new ATOM 479 N LEU A 31 8.672 17.366 8.761 1.00 0.00 N ATOM 480 CA LEU A 31 10.091 17.699 8.772 1.00 0.00 C ATOM 481 C LEU A 31 10.849 16.892 7.723 1.00 0.00 C ATOM 482 O LEU A 31 11.848 17.354 7.172 1.00 0.00 O ATOM 483 CB LEU A 31 10.685 17.442 10.159 1.00 0.00 C ATOM 484 CG LEU A 31 10.629 18.633 11.117 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.556 19.742 10.645 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.203 19.147 11.246 1.00 0.00 C ATOM 0 H LEU A 31 8.431 16.550 9.324 1.00 0.00 H new ATOM 0 HA LEU A 31 10.192 18.757 8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.157 16.604 10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.725 17.138 10.042 1.00 0.00 H new ATOM 0 HG LEU A 31 10.965 18.300 12.099 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.503 20.581 11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.579 19.369 10.605 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.252 20.073 9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.182 19.994 11.931 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.840 19.463 10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.563 18.353 11.631 1.00 0.00 H new ATOM 498 N VAL A 32 10.368 15.683 7.452 1.00 0.00 N ATOM 499 CA VAL A 32 11.001 14.811 6.470 1.00 0.00 C ATOM 500 C VAL A 32 10.846 15.370 5.059 1.00 0.00 C ATOM 501 O VAL A 32 9.762 15.801 4.666 1.00 0.00 O ATOM 502 CB VAL A 32 10.408 13.391 6.515 1.00 0.00 C ATOM 503 CG1 VAL A 32 11.211 12.448 5.631 1.00 0.00 C ATOM 504 CG2 VAL A 32 10.357 12.878 7.945 1.00 0.00 C ATOM 0 H VAL A 32 9.542 15.285 7.899 1.00 0.00 H new ATOM 0 HA VAL A 32 12.060 14.763 6.725 1.00 0.00 H new ATOM 0 HB VAL A 32 9.388 13.431 6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.777 11.449 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.190 12.807 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.243 12.411 5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.935 11.873 7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.365 12.853 8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.734 13.540 8.547 1.00 0.00 H new ATOM 514 N SER A 33 11.937 15.359 4.301 1.00 0.00 N ATOM 515 CA SER A 33 11.923 15.864 2.933 1.00 0.00 C ATOM 516 C SER A 33 11.007 15.023 2.052 1.00 0.00 C ATOM 517 O SER A 33 10.552 13.953 2.454 1.00 0.00 O ATOM 518 CB SER A 33 13.340 15.872 2.355 1.00 0.00 C ATOM 519 OG SER A 33 14.072 16.996 2.812 1.00 0.00 O ATOM 0 H SER A 33 12.842 15.006 4.611 1.00 0.00 H new ATOM 0 HA SER A 33 11.541 16.885 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.858 14.956 2.641 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.292 15.884 1.266 1.00 0.00 H new ATOM 0 HG SER A 33 14.974 16.976 2.430 1.00 0.00 H new ATOM 525 N GLU A 34 10.740 15.514 0.845 1.00 0.00 N ATOM 526 CA GLU A 34 9.877 14.806 -0.094 1.00 0.00 C ATOM 527 C GLU A 34 10.549 13.533 -0.596 1.00 0.00 C ATOM 528 O GLU A 34 9.880 12.541 -0.891 1.00 0.00 O ATOM 529 CB GLU A 34 9.525 15.712 -1.276 1.00 0.00 C ATOM 530 CG GLU A 34 10.739 16.323 -1.957 1.00 0.00 C ATOM 531 CD GLU A 34 11.006 17.745 -1.506 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.143 18.616 -1.745 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.079 17.989 -0.915 1.00 0.00 O ATOM 0 H GLU A 34 11.109 16.398 0.495 1.00 0.00 H new ATOM 0 HA GLU A 34 8.961 14.529 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.959 15.136 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.873 16.513 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.615 15.709 -1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.590 16.310 -3.037 1.00 0.00 H new ATOM 540 N GLU A 35 11.874 13.567 -0.693 1.00 0.00 N ATOM 541 CA GLU A 35 12.636 12.414 -1.159 1.00 0.00 C ATOM 542 C GLU A 35 12.685 11.325 -0.092 1.00 0.00 C ATOM 543 O GLU A 35 12.418 10.157 -0.371 1.00 0.00 O ATOM 544 CB GLU A 35 14.057 12.835 -1.539 1.00 0.00 C ATOM 545 CG GLU A 35 14.815 11.778 -2.325 1.00 0.00 C ATOM 546 CD GLU A 35 16.199 12.241 -2.738 1.00 0.00 C ATOM 547 OE1 GLU A 35 17.112 12.218 -1.885 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.370 12.624 -3.914 1.00 0.00 O ATOM 0 H GLU A 35 12.442 14.380 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 35 12.135 12.012 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.010 13.750 -2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.613 13.069 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.903 10.875 -1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.244 11.513 -3.215 1.00 0.00 H new ATOM 555 N ASP A 36 13.027 11.718 1.131 1.00 0.00 N ATOM 556 CA ASP A 36 13.110 10.776 2.241 1.00 0.00 C ATOM 557 C ASP A 36 11.760 10.127 2.512 1.00 0.00 C ATOM 558 O ASP A 36 11.683 9.011 3.028 1.00 0.00 O ATOM 559 CB ASP A 36 13.618 11.477 3.502 1.00 0.00 C ATOM 560 CG ASP A 36 13.822 10.517 4.657 1.00 0.00 C ATOM 561 OD1 ASP A 36 12.837 9.870 5.071 1.00 0.00 O ATOM 562 OD2 ASP A 36 14.965 10.412 5.147 1.00 0.00 O ATOM 0 H ASP A 36 13.251 12.682 1.378 1.00 0.00 H new ATOM 0 HA ASP A 36 13.816 9.994 1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.560 11.979 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.907 12.249 3.796 1.00 0.00 H new ATOM 567 N MET A 37 10.702 10.836 2.159 1.00 0.00 N ATOM 568 CA MET A 37 9.344 10.343 2.357 1.00 0.00 C ATOM 569 C MET A 37 9.013 9.240 1.358 1.00 0.00 C ATOM 570 O MET A 37 8.242 8.329 1.657 1.00 0.00 O ATOM 571 CB MET A 37 8.339 11.488 2.222 1.00 0.00 C ATOM 572 CG MET A 37 7.053 11.266 3.001 1.00 0.00 C ATOM 573 SD MET A 37 7.115 11.972 4.659 1.00 0.00 S ATOM 574 CE MET A 37 6.900 13.713 4.293 1.00 0.00 C ATOM 0 H MET A 37 10.755 11.760 1.731 1.00 0.00 H new ATOM 0 HA MET A 37 9.279 9.928 3.363 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.806 12.412 2.564 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.096 11.625 1.168 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.220 11.707 2.453 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.856 10.196 3.073 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.352 14.191 5.105 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.876 14.186 4.187 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.341 13.823 3.364 1.00 0.00 H new ATOM 584 N VAL A 38 9.603 9.329 0.170 1.00 0.00 N ATOM 585 CA VAL A 38 9.372 8.338 -0.874 1.00 0.00 C ATOM 586 C VAL A 38 9.860 6.960 -0.442 1.00 0.00 C ATOM 587 O VAL A 38 9.145 5.967 -0.577 1.00 0.00 O ATOM 588 CB VAL A 38 10.074 8.731 -2.187 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.662 7.797 -3.314 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.768 10.177 -2.545 1.00 0.00 C ATOM 0 H VAL A 38 10.244 10.077 -0.093 1.00 0.00 H new ATOM 0 HA VAL A 38 8.296 8.302 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 38 11.150 8.637 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.168 8.091 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.939 6.774 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.583 7.856 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.273 10.436 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.692 10.301 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.119 10.831 -1.747 1.00 0.00 H new ATOM 600 N THR A 39 11.082 6.906 0.077 1.00 0.00 N ATOM 601 CA THR A 39 11.667 5.649 0.529 1.00 0.00 C ATOM 602 C THR A 39 10.819 5.019 1.629 1.00 0.00 C ATOM 603 O THR A 39 10.756 3.797 1.755 1.00 0.00 O ATOM 604 CB THR A 39 13.092 5.878 1.034 1.00 0.00 C ATOM 605 OG1 THR A 39 13.669 4.661 1.475 1.00 0.00 O ATOM 606 CG2 THR A 39 13.170 6.864 2.179 1.00 0.00 C ATOM 0 H THR A 39 11.687 7.719 0.195 1.00 0.00 H new ATOM 0 HA THR A 39 11.696 4.965 -0.319 1.00 0.00 H new ATOM 0 HB THR A 39 13.637 6.289 0.184 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.581 4.828 1.793 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.209 6.980 2.489 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.778 7.828 1.856 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.580 6.495 3.018 1.00 0.00 H new ATOM 614 N VAL A 40 10.169 5.862 2.425 1.00 0.00 N ATOM 615 CA VAL A 40 9.325 5.389 3.514 1.00 0.00 C ATOM 616 C VAL A 40 8.136 4.595 2.982 1.00 0.00 C ATOM 617 O VAL A 40 7.806 3.529 3.500 1.00 0.00 O ATOM 618 CB VAL A 40 8.805 6.557 4.374 1.00 0.00 C ATOM 619 CG1 VAL A 40 8.059 6.036 5.593 1.00 0.00 C ATOM 620 CG2 VAL A 40 9.953 7.466 4.791 1.00 0.00 C ATOM 0 H VAL A 40 10.211 6.877 2.335 1.00 0.00 H new ATOM 0 HA VAL A 40 9.944 4.741 4.134 1.00 0.00 H new ATOM 0 HB VAL A 40 8.107 7.141 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.700 6.877 6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.211 5.432 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.730 5.426 6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.567 8.285 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.677 6.895 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.438 7.870 3.903 1.00 0.00 H new ATOM 630 N VAL A 41 7.497 5.124 1.943 1.00 0.00 N ATOM 631 CA VAL A 41 6.345 4.464 1.339 1.00 0.00 C ATOM 632 C VAL A 41 6.734 3.118 0.740 1.00 0.00 C ATOM 633 O VAL A 41 5.988 2.144 0.839 1.00 0.00 O ATOM 634 CB VAL A 41 5.710 5.337 0.240 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.401 4.728 -0.237 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.494 6.757 0.743 1.00 0.00 C ATOM 0 H VAL A 41 7.757 6.006 1.503 1.00 0.00 H new ATOM 0 HA VAL A 41 5.617 4.308 2.135 1.00 0.00 H new ATOM 0 HB VAL A 41 6.395 5.377 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.968 5.359 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.588 3.733 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.707 4.655 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.045 7.359 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.831 6.740 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.452 7.191 1.029 1.00 0.00 H new ATOM 646 N GLU A 42 7.908 3.069 0.119 1.00 0.00 N ATOM 647 CA GLU A 42 8.397 1.841 -0.496 1.00 0.00 C ATOM 648 C GLU A 42 8.662 0.772 0.558 1.00 0.00 C ATOM 649 O GLU A 42 8.389 -0.408 0.342 1.00 0.00 O ATOM 650 CB GLU A 42 9.675 2.117 -1.291 1.00 0.00 C ATOM 651 CG GLU A 42 9.461 3.025 -2.490 1.00 0.00 C ATOM 652 CD GLU A 42 8.894 2.287 -3.687 1.00 0.00 C ATOM 653 OE1 GLU A 42 9.656 1.542 -4.339 1.00 0.00 O ATOM 654 OE2 GLU A 42 7.690 2.452 -3.972 1.00 0.00 O ATOM 0 H GLU A 42 8.538 3.866 0.028 1.00 0.00 H new ATOM 0 HA GLU A 42 7.627 1.474 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.414 2.570 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.092 1.170 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.785 3.833 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.410 3.484 -2.767 1.00 0.00 H new ATOM 661 N ASP A 43 9.195 1.194 1.701 1.00 0.00 N ATOM 662 CA ASP A 43 9.496 0.273 2.789 1.00 0.00 C ATOM 663 C ASP A 43 8.232 -0.088 3.563 1.00 0.00 C ATOM 664 O ASP A 43 8.092 -1.209 4.053 1.00 0.00 O ATOM 665 CB ASP A 43 10.528 0.888 3.736 1.00 0.00 C ATOM 666 CG ASP A 43 11.503 -0.139 4.277 1.00 0.00 C ATOM 667 OD1 ASP A 43 12.281 -0.700 3.477 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.489 -0.383 5.502 1.00 0.00 O ATOM 0 H ASP A 43 9.427 2.168 1.896 1.00 0.00 H new ATOM 0 HA ASP A 43 9.908 -0.638 2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.080 1.667 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.013 1.369 4.568 1.00 0.00 H new ATOM 673 N TRP A 44 7.316 0.868 3.666 1.00 0.00 N ATOM 674 CA TRP A 44 6.062 0.650 4.380 1.00 0.00 C ATOM 675 C TRP A 44 5.268 -0.490 3.750 1.00 0.00 C ATOM 676 O TRP A 44 4.818 -1.403 4.441 1.00 0.00 O ATOM 677 CB TRP A 44 5.225 1.932 4.383 1.00 0.00 C ATOM 678 CG TRP A 44 5.342 2.717 5.656 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.342 2.636 6.581 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.423 3.701 6.143 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.102 3.511 7.613 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.929 4.176 7.366 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.220 4.229 5.661 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.276 5.151 8.115 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.573 5.197 6.405 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.102 5.650 7.620 1.00 0.00 C ATOM 0 H TRP A 44 7.417 1.800 3.265 1.00 0.00 H new ATOM 0 HA TRP A 44 6.299 0.377 5.408 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.534 2.561 3.548 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.179 1.674 4.219 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.197 1.980 6.512 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.699 3.644 8.429 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.805 3.886 4.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.681 5.501 9.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.644 5.611 6.043 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.573 6.409 8.178 1.00 0.00 H new ATOM 697 N MET A 45 5.100 -0.430 2.433 1.00 0.00 N ATOM 698 CA MET A 45 4.361 -1.457 1.708 1.00 0.00 C ATOM 699 C MET A 45 5.134 -2.771 1.686 1.00 0.00 C ATOM 700 O MET A 45 4.543 -3.851 1.701 1.00 0.00 O ATOM 701 CB MET A 45 4.075 -0.996 0.277 1.00 0.00 C ATOM 702 CG MET A 45 5.326 -0.637 -0.507 1.00 0.00 C ATOM 703 SD MET A 45 5.082 0.783 -1.591 1.00 0.00 S ATOM 704 CE MET A 45 3.857 0.135 -2.727 1.00 0.00 C ATOM 0 H MET A 45 5.466 0.319 1.846 1.00 0.00 H new ATOM 0 HA MET A 45 3.416 -1.621 2.225 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.540 -1.786 -0.250 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.415 -0.129 0.308 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.137 -0.423 0.189 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.635 -1.495 -1.103 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.327 -0.077 -3.687 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.433 -0.783 -2.320 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.064 0.870 -2.866 1.00 0.00 H new ATOM 714 N ASN A 46 6.459 -2.673 1.652 1.00 0.00 N ATOM 715 CA ASN A 46 7.314 -3.855 1.629 1.00 0.00 C ATOM 716 C ASN A 46 7.070 -4.728 2.855 1.00 0.00 C ATOM 717 O ASN A 46 7.145 -5.955 2.780 1.00 0.00 O ATOM 718 CB ASN A 46 8.786 -3.443 1.565 1.00 0.00 C ATOM 719 CG ASN A 46 9.611 -4.380 0.704 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.550 -5.600 0.859 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.389 -3.812 -0.209 1.00 0.00 N ATOM 0 H ASN A 46 6.964 -1.787 1.640 1.00 0.00 H new ATOM 0 HA ASN A 46 7.067 -4.435 0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.860 -2.430 1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.199 -3.422 2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.968 -4.391 -0.817 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.408 -2.796 -0.302 1.00 0.00 H new ATOM 728 N PHE A 47 6.778 -4.088 3.982 1.00 0.00 N ATOM 729 CA PHE A 47 6.524 -4.808 5.224 1.00 0.00 C ATOM 730 C PHE A 47 5.163 -5.496 5.186 1.00 0.00 C ATOM 731 O PHE A 47 4.999 -6.599 5.706 1.00 0.00 O ATOM 732 CB PHE A 47 6.589 -3.849 6.415 1.00 0.00 C ATOM 733 CG PHE A 47 7.211 -4.456 7.640 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.415 -5.137 7.558 1.00 0.00 C ATOM 735 CD2 PHE A 47 6.592 -4.346 8.875 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.989 -5.696 8.684 1.00 0.00 C ATOM 737 CE2 PHE A 47 7.161 -4.903 10.004 1.00 0.00 C ATOM 738 CZ PHE A 47 8.362 -5.579 9.908 1.00 0.00 C ATOM 0 H PHE A 47 6.711 -3.073 4.061 1.00 0.00 H new ATOM 0 HA PHE A 47 7.294 -5.571 5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.158 -2.965 6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.580 -3.514 6.657 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.911 -5.232 6.603 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.653 -3.818 8.956 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.928 -6.224 8.606 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.668 -4.810 10.960 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.809 -6.015 10.789 1.00 0.00 H new ATOM 748 N TYR A 48 4.190 -4.837 4.565 1.00 0.00 N ATOM 749 CA TYR A 48 2.843 -5.385 4.457 1.00 0.00 C ATOM 750 C TYR A 48 2.821 -6.600 3.535 1.00 0.00 C ATOM 751 O TYR A 48 2.142 -7.588 3.810 1.00 0.00 O ATOM 752 CB TYR A 48 1.876 -4.319 3.940 1.00 0.00 C ATOM 753 CG TYR A 48 1.474 -3.305 4.986 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.433 -2.624 5.726 1.00 0.00 C ATOM 755 CD2 TYR A 48 0.135 -3.028 5.235 1.00 0.00 C ATOM 756 CE1 TYR A 48 2.069 -1.697 6.684 1.00 0.00 C ATOM 757 CE2 TYR A 48 -0.236 -2.102 6.190 1.00 0.00 C ATOM 758 CZ TYR A 48 0.734 -1.439 6.912 1.00 0.00 C ATOM 759 OH TYR A 48 0.369 -0.516 7.865 1.00 0.00 O ATOM 0 H TYR A 48 4.309 -3.923 4.129 1.00 0.00 H new ATOM 0 HA TYR A 48 2.526 -5.701 5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.338 -3.799 3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.980 -4.808 3.558 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.480 -2.822 5.550 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.628 -3.545 4.672 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.827 -1.177 7.251 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.281 -1.898 6.371 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.608 -0.451 7.900 1.00 0.00 H new ATOM 769 N ILE A 49 3.572 -6.518 2.440 1.00 0.00 N ATOM 770 CA ILE A 49 3.638 -7.610 1.477 1.00 0.00 C ATOM 771 C ILE A 49 4.244 -8.861 2.109 1.00 0.00 C ATOM 772 O ILE A 49 3.820 -9.979 1.822 1.00 0.00 O ATOM 773 CB ILE A 49 4.469 -7.217 0.238 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.952 -5.903 -0.352 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.427 -8.323 -0.807 1.00 0.00 C ATOM 776 CD1 ILE A 49 5.043 -5.035 -0.941 1.00 0.00 C ATOM 0 H ILE A 49 4.142 -5.707 2.199 1.00 0.00 H new ATOM 0 HA ILE A 49 2.615 -7.822 1.165 1.00 0.00 H new ATOM 0 HB ILE A 49 5.505 -7.076 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.218 -6.126 -1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.434 -5.343 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.019 -8.028 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.837 -9.240 -0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.395 -8.495 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.604 -4.121 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.765 -4.782 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.546 -5.576 -1.742 1.00 0.00 H new ATOM 788 N ASN A 50 5.237 -8.662 2.970 1.00 0.00 N ATOM 789 CA ASN A 50 5.899 -9.773 3.641 1.00 0.00 C ATOM 790 C ASN A 50 4.995 -10.378 4.710 1.00 0.00 C ATOM 791 O ASN A 50 5.032 -11.584 4.958 1.00 0.00 O ATOM 792 CB ASN A 50 7.212 -9.307 4.272 1.00 0.00 C ATOM 793 CG ASN A 50 8.221 -8.852 3.236 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.207 -9.312 2.094 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.106 -7.944 3.630 1.00 0.00 N ATOM 0 H ASN A 50 5.600 -7.742 3.219 1.00 0.00 H new ATOM 0 HA ASN A 50 6.114 -10.539 2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.010 -8.488 4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.639 -10.120 4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.810 -7.601 2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.082 -7.589 4.586 1.00 0.00 H new ATOM 802 N TYR A 51 4.185 -9.534 5.340 1.00 0.00 N ATOM 803 CA TYR A 51 3.271 -9.986 6.384 1.00 0.00 C ATOM 804 C TYR A 51 2.082 -10.727 5.784 1.00 0.00 C ATOM 805 O TYR A 51 1.651 -11.756 6.307 1.00 0.00 O ATOM 806 CB TYR A 51 2.782 -8.796 7.210 1.00 0.00 C ATOM 807 CG TYR A 51 2.459 -9.148 8.645 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.444 -9.127 9.624 1.00 0.00 C ATOM 809 CD2 TYR A 51 1.168 -9.499 9.021 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.152 -9.448 10.936 1.00 0.00 C ATOM 811 CE2 TYR A 51 0.868 -9.821 10.330 1.00 0.00 C ATOM 812 CZ TYR A 51 1.863 -9.794 11.285 1.00 0.00 C ATOM 813 OH TYR A 51 1.570 -10.114 12.590 1.00 0.00 O ATOM 0 H TYR A 51 4.142 -8.533 5.146 1.00 0.00 H new ATOM 0 HA TYR A 51 3.812 -10.674 7.034 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.545 -8.018 7.198 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.893 -8.377 6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.454 -8.855 9.356 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.386 -9.520 8.277 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.930 -9.428 11.685 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.141 -10.093 10.605 1.00 0.00 H new ATOM 0 HH TYR A 51 0.618 -10.333 12.667 1.00 0.00 H new ATOM 823 N TYR A 52 1.552 -10.199 4.686 1.00 0.00 N ATOM 824 CA TYR A 52 0.410 -10.812 4.016 1.00 0.00 C ATOM 825 C TYR A 52 0.801 -12.141 3.377 1.00 0.00 C ATOM 826 O TYR A 52 0.029 -13.099 3.395 1.00 0.00 O ATOM 827 CB TYR A 52 -0.153 -9.866 2.954 1.00 0.00 C ATOM 828 CG TYR A 52 -1.287 -8.999 3.456 1.00 0.00 C ATOM 829 CD1 TYR A 52 -1.034 -7.861 4.213 1.00 0.00 C ATOM 830 CD2 TYR A 52 -2.609 -9.319 3.173 1.00 0.00 C ATOM 831 CE1 TYR A 52 -2.066 -7.067 4.674 1.00 0.00 C ATOM 832 CE2 TYR A 52 -3.646 -8.528 3.630 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.370 -7.405 4.380 1.00 0.00 C ATOM 834 OH TYR A 52 -4.401 -6.616 4.838 1.00 0.00 O ATOM 0 H TYR A 52 1.895 -9.348 4.241 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.358 -11.004 4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.649 -9.225 2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.504 -10.453 2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.014 -7.593 4.445 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.830 -10.199 2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.853 -6.186 5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.669 -8.789 3.400 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.065 -6.006 5.527 1.00 0.00 H new ATOM 844 N ARG A 53 2.003 -12.190 2.815 1.00 0.00 N ATOM 845 CA ARG A 53 2.496 -13.403 2.170 1.00 0.00 C ATOM 846 C ARG A 53 2.548 -14.566 3.158 1.00 0.00 C ATOM 847 O ARG A 53 2.486 -15.730 2.763 1.00 0.00 O ATOM 848 CB ARG A 53 3.885 -13.161 1.577 1.00 0.00 C ATOM 849 CG ARG A 53 4.218 -14.081 0.414 1.00 0.00 C ATOM 850 CD ARG A 53 5.719 -14.165 0.182 1.00 0.00 C ATOM 851 NE ARG A 53 6.163 -13.246 -0.863 1.00 0.00 N ATOM 852 CZ ARG A 53 7.354 -13.315 -1.453 1.00 0.00 C ATOM 853 NH1 ARG A 53 8.223 -14.256 -1.104 1.00 0.00 N ATOM 854 NH2 ARG A 53 7.679 -12.439 -2.394 1.00 0.00 N ATOM 0 H ARG A 53 2.654 -11.405 2.792 1.00 0.00 H new ATOM 0 HA ARG A 53 1.805 -13.663 1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.953 -12.126 1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.633 -13.292 2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.823 -15.077 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.729 -13.718 -0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.243 -13.938 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.987 -15.185 -0.094 1.00 0.00 H new ATOM 0 HE ARG A 53 5.523 -12.508 -1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.980 -14.932 -0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.134 -14.303 -1.560 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.016 -11.713 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.592 -12.492 -2.846 1.00 0.00 H new ATOM 868 N GLN A 54 2.663 -14.243 4.443 1.00 0.00 N ATOM 869 CA GLN A 54 2.722 -15.265 5.483 1.00 0.00 C ATOM 870 C GLN A 54 1.326 -15.628 5.988 1.00 0.00 C ATOM 871 O GLN A 54 1.186 -16.356 6.972 1.00 0.00 O ATOM 872 CB GLN A 54 3.587 -14.781 6.649 1.00 0.00 C ATOM 873 CG GLN A 54 5.071 -15.043 6.456 1.00 0.00 C ATOM 874 CD GLN A 54 5.812 -15.198 7.768 1.00 0.00 C ATOM 875 OE1 GLN A 54 6.539 -16.170 7.974 1.00 0.00 O ATOM 876 NE2 GLN A 54 5.630 -14.238 8.668 1.00 0.00 N ATOM 0 H GLN A 54 2.717 -13.285 4.788 1.00 0.00 H new ATOM 0 HA GLN A 54 3.168 -16.159 5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.431 -13.711 6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.256 -15.272 7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.202 -15.946 5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.510 -14.222 5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.019 -13.450 8.456 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.102 -14.289 9.571 1.00 0.00 H new ATOM 885 N GLN A 55 0.296 -15.122 5.315 1.00 0.00 N ATOM 886 CA GLN A 55 -1.082 -15.401 5.704 1.00 0.00 C ATOM 887 C GLN A 55 -1.941 -15.713 4.484 1.00 0.00 C ATOM 888 O GLN A 55 -3.086 -15.271 4.387 1.00 0.00 O ATOM 889 CB GLN A 55 -1.668 -14.210 6.465 1.00 0.00 C ATOM 890 CG GLN A 55 -2.605 -14.610 7.593 1.00 0.00 C ATOM 891 CD GLN A 55 -1.870 -14.890 8.890 1.00 0.00 C ATOM 892 OE1 GLN A 55 -0.706 -15.292 8.884 1.00 0.00 O ATOM 893 NE2 GLN A 55 -2.548 -14.677 10.012 1.00 0.00 N ATOM 0 H GLN A 55 0.390 -14.518 4.499 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.080 -16.275 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.852 -13.615 6.875 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.207 -13.572 5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.332 -13.814 7.756 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.165 -15.498 7.298 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.511 -14.343 9.970 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.106 -14.847 10.915 1.00 0.00 H new ATOM 902 N VAL A 56 -1.381 -16.479 3.553 1.00 0.00 N ATOM 903 CA VAL A 56 -2.095 -16.851 2.336 1.00 0.00 C ATOM 904 C VAL A 56 -2.428 -18.340 2.335 1.00 0.00 C ATOM 905 O VAL A 56 -2.017 -19.077 3.231 1.00 0.00 O ATOM 906 CB VAL A 56 -1.280 -16.517 1.062 1.00 0.00 C ATOM 907 CG1 VAL A 56 -2.060 -15.573 0.160 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.077 -15.922 1.415 1.00 0.00 C ATOM 0 H VAL A 56 -0.435 -16.854 3.618 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.016 -16.268 2.324 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.107 -17.448 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.471 -15.350 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.998 -16.043 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.271 -14.648 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.625 -15.698 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.065 -15.005 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.644 -16.637 2.012 1.00 0.00 H new ATOM 918 N THR A 57 -3.169 -18.775 1.320 1.00 0.00 N ATOM 919 CA THR A 57 -3.553 -20.169 1.191 1.00 0.00 C ATOM 920 C THR A 57 -4.068 -20.446 -0.212 1.00 0.00 C ATOM 921 O THR A 57 -4.717 -19.604 -0.832 1.00 0.00 O ATOM 922 CB THR A 57 -4.626 -20.541 2.212 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.608 -19.523 2.305 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.079 -20.781 3.603 1.00 0.00 C ATOM 0 H THR A 57 -3.515 -18.174 0.572 1.00 0.00 H new ATOM 0 HA THR A 57 -2.668 -20.777 1.380 1.00 0.00 H new ATOM 0 HB THR A 57 -5.057 -21.473 1.846 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.286 -19.782 2.963 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.896 -21.041 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.359 -21.599 3.575 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.587 -19.877 3.962 1.00 0.00 H new ATOM 932 N GLY A 58 -3.765 -21.633 -0.702 1.00 0.00 N ATOM 933 CA GLY A 58 -4.187 -22.028 -2.028 1.00 0.00 C ATOM 934 C GLY A 58 -3.056 -22.634 -2.827 1.00 0.00 C ATOM 935 O GLY A 58 -2.375 -23.550 -2.366 1.00 0.00 O ATOM 0 H GLY A 58 -3.228 -22.340 -0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.001 -22.748 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.579 -21.160 -2.557 1.00 0.00 H new ATOM 939 N GLU A 59 -2.857 -22.113 -4.024 1.00 0.00 N ATOM 940 CA GLU A 59 -1.798 -22.590 -4.907 1.00 0.00 C ATOM 941 C GLU A 59 -0.704 -21.535 -5.050 1.00 0.00 C ATOM 942 O GLU A 59 -0.923 -20.360 -4.758 1.00 0.00 O ATOM 943 CB GLU A 59 -2.363 -22.952 -6.285 1.00 0.00 C ATOM 944 CG GLU A 59 -3.550 -22.100 -6.709 1.00 0.00 C ATOM 945 CD GLU A 59 -4.162 -22.564 -8.016 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.872 -23.591 -8.008 1.00 0.00 O ATOM 947 OE2 GLU A 59 -3.930 -21.900 -9.049 1.00 0.00 O ATOM 0 H GLU A 59 -3.417 -21.354 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.365 -23.486 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.572 -22.851 -7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.664 -24.000 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.309 -22.126 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.231 -21.063 -6.809 1.00 0.00 H new ATOM 954 N PRO A 60 0.496 -21.942 -5.499 1.00 0.00 N ATOM 955 CA PRO A 60 1.627 -21.024 -5.675 1.00 0.00 C ATOM 956 C PRO A 60 1.300 -19.874 -6.622 1.00 0.00 C ATOM 957 O PRO A 60 1.776 -18.754 -6.440 1.00 0.00 O ATOM 958 CB PRO A 60 2.731 -21.910 -6.267 1.00 0.00 C ATOM 959 CG PRO A 60 2.034 -23.132 -6.765 1.00 0.00 C ATOM 960 CD PRO A 60 0.847 -23.321 -5.869 1.00 0.00 C ATOM 0 HA PRO A 60 1.908 -20.548 -4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.254 -21.399 -7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.478 -22.163 -5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.724 -23.010 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.693 -24.000 -6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.028 -23.823 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.092 -23.925 -4.995 1.00 0.00 H new ATOM 968 N GLN A 61 0.488 -20.158 -7.635 1.00 0.00 N ATOM 969 CA GLN A 61 0.102 -19.145 -8.611 1.00 0.00 C ATOM 970 C GLN A 61 -0.926 -18.181 -8.027 1.00 0.00 C ATOM 971 O GLN A 61 -0.867 -16.977 -8.270 1.00 0.00 O ATOM 972 CB GLN A 61 -0.460 -19.808 -9.870 1.00 0.00 C ATOM 973 CG GLN A 61 -0.068 -19.101 -11.157 1.00 0.00 C ATOM 974 CD GLN A 61 -0.550 -19.831 -12.394 1.00 0.00 C ATOM 975 OE1 GLN A 61 -1.744 -19.853 -12.691 1.00 0.00 O ATOM 976 NE2 GLN A 61 0.380 -20.438 -13.124 1.00 0.00 N ATOM 0 H GLN A 61 0.085 -21.080 -7.802 1.00 0.00 H new ATOM 0 HA GLN A 61 0.994 -18.576 -8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.113 -20.840 -9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.547 -19.840 -9.799 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.479 -18.092 -11.152 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.017 -19.003 -11.197 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.359 -20.395 -12.841 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.115 -20.947 -13.967 1.00 0.00 H new ATOM 985 N GLU A 62 -1.867 -18.718 -7.258 1.00 0.00 N ATOM 986 CA GLU A 62 -2.905 -17.898 -6.644 1.00 0.00 C ATOM 987 C GLU A 62 -2.294 -16.866 -5.705 1.00 0.00 C ATOM 988 O GLU A 62 -2.584 -15.674 -5.805 1.00 0.00 O ATOM 989 CB GLU A 62 -3.898 -18.776 -5.880 1.00 0.00 C ATOM 990 CG GLU A 62 -5.048 -19.280 -6.736 1.00 0.00 C ATOM 991 CD GLU A 62 -6.055 -20.089 -5.943 1.00 0.00 C ATOM 992 OE1 GLU A 62 -5.680 -20.624 -4.878 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.220 -20.186 -6.386 1.00 0.00 O ATOM 0 H GLU A 62 -1.933 -19.713 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.435 -17.373 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.367 -19.630 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.302 -18.208 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.552 -18.431 -7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.652 -19.893 -7.545 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.441 -17.330 -4.799 1.00 0.00 N ATOM 1001 CA ARG A 63 -0.785 -16.445 -3.851 1.00 0.00 C ATOM 1002 C ARG A 63 0.060 -15.410 -4.586 1.00 0.00 C ATOM 1003 O ARG A 63 0.172 -14.263 -4.154 1.00 0.00 O ATOM 1004 CB ARG A 63 0.089 -17.255 -2.894 1.00 0.00 C ATOM 1005 CG ARG A 63 1.118 -18.126 -3.596 1.00 0.00 C ATOM 1006 CD ARG A 63 1.935 -18.934 -2.601 1.00 0.00 C ATOM 1007 NE ARG A 63 1.089 -19.740 -1.723 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.556 -20.488 -0.726 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.859 -20.535 -0.476 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.718 -21.190 0.024 1.00 0.00 N ATOM 0 H ARG A 63 -1.189 -18.314 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.550 -15.923 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.604 -16.571 -2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.551 -17.888 -2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.614 -18.801 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.783 -17.499 -4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.622 -19.586 -3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.543 -18.259 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 63 0.082 -19.729 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.508 -19.996 -1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.211 -21.110 0.289 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.284 -21.157 -0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.075 -21.763 0.788 1.00 0.00 H new ATOM 1024 N ASP A 64 0.646 -15.823 -5.706 1.00 0.00 N ATOM 1025 CA ASP A 64 1.475 -14.932 -6.508 1.00 0.00 C ATOM 1026 C ASP A 64 0.618 -13.892 -7.222 1.00 0.00 C ATOM 1027 O ASP A 64 0.998 -12.726 -7.327 1.00 0.00 O ATOM 1028 CB ASP A 64 2.281 -15.735 -7.531 1.00 0.00 C ATOM 1029 CG ASP A 64 3.636 -15.115 -7.814 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.719 -14.260 -8.722 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.612 -15.483 -7.129 1.00 0.00 O ATOM 0 H ASP A 64 0.562 -16.769 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 64 2.163 -14.414 -5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.419 -16.752 -7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.716 -15.806 -8.460 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.541 -14.323 -7.712 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.452 -13.430 -8.419 1.00 0.00 C ATOM 1038 C LYS A 65 -2.146 -12.475 -7.452 1.00 0.00 C ATOM 1039 O LYS A 65 -2.447 -11.333 -7.801 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.494 -14.241 -9.192 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.686 -13.773 -10.625 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.144 -13.855 -11.049 1.00 0.00 C ATOM 1043 CE LYS A 65 -4.843 -12.513 -10.905 1.00 0.00 C ATOM 1044 NZ LYS A 65 -4.608 -11.635 -12.084 1.00 0.00 N ATOM 0 H LYS A 65 -0.871 -15.285 -7.632 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.866 -12.838 -9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.196 -15.289 -9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.448 -14.184 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.335 -12.746 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.077 -14.383 -11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.204 -14.188 -12.085 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.659 -14.601 -10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.914 -12.673 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.488 -12.013 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.101 -10.730 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.588 -11.461 -12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.970 -12.100 -12.941 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.401 -12.951 -6.237 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.062 -12.139 -5.224 1.00 0.00 C ATOM 1060 C ALA A 66 -2.121 -11.075 -4.668 1.00 0.00 C ATOM 1061 O ALA A 66 -2.515 -9.926 -4.470 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.584 -13.021 -4.100 1.00 0.00 C ATOM 0 H ALA A 66 -2.160 -13.894 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.903 -11.631 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.076 -12.402 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.299 -13.739 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.752 -13.555 -3.641 1.00 0.00 H new ATOM 1068 N LEU A 67 -0.877 -11.467 -4.417 1.00 0.00 N ATOM 1069 CA LEU A 67 0.119 -10.548 -3.882 1.00 0.00 C ATOM 1070 C LEU A 67 0.625 -9.594 -4.959 1.00 0.00 C ATOM 1071 O LEU A 67 0.998 -8.457 -4.672 1.00 0.00 O ATOM 1072 CB LEU A 67 1.284 -11.327 -3.276 1.00 0.00 C ATOM 1073 CG LEU A 67 1.549 -11.051 -1.795 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.646 -9.556 -1.537 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.458 -11.675 -0.938 1.00 0.00 C ATOM 0 H LEU A 67 -0.535 -12.415 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.355 -9.953 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.093 -12.393 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.188 -11.096 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 67 2.503 -11.504 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.835 -9.381 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.463 -9.138 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.710 -9.076 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.660 -11.471 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.508 -11.250 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.439 -12.753 -1.101 1.00 0.00 H new ATOM 1087 N GLN A 68 0.637 -10.066 -6.202 1.00 0.00 N ATOM 1088 CA GLN A 68 1.099 -9.256 -7.323 1.00 0.00 C ATOM 1089 C GLN A 68 0.230 -8.013 -7.492 1.00 0.00 C ATOM 1090 O GLN A 68 0.730 -6.933 -7.808 1.00 0.00 O ATOM 1091 CB GLN A 68 1.089 -10.080 -8.613 1.00 0.00 C ATOM 1092 CG GLN A 68 2.450 -10.654 -8.977 1.00 0.00 C ATOM 1093 CD GLN A 68 2.666 -10.734 -10.475 1.00 0.00 C ATOM 1094 OE1 GLN A 68 2.229 -11.681 -11.128 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.346 -9.735 -11.028 1.00 0.00 N ATOM 0 H GLN A 68 0.332 -11.005 -6.458 1.00 0.00 H new ATOM 0 HA GLN A 68 2.120 -8.937 -7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.375 -10.897 -8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.737 -9.453 -9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.231 -10.037 -8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.547 -11.650 -8.546 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.690 -8.970 -10.448 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.524 -9.734 -12.032 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.072 -8.172 -7.282 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.007 -7.060 -7.413 1.00 0.00 C ATOM 1106 C GLU A 69 -1.898 -6.113 -6.229 1.00 0.00 C ATOM 1107 O GLU A 69 -2.128 -4.911 -6.359 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.442 -7.576 -7.546 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.470 -6.473 -7.740 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.717 -6.157 -9.202 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -4.655 -7.089 -10.030 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.971 -4.975 -9.519 1.00 0.00 O ATOM 0 H GLU A 69 -1.504 -9.058 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.747 -6.509 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.495 -8.263 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.698 -8.147 -6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.409 -6.770 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.131 -5.572 -7.229 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.530 -6.657 -5.077 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.372 -5.854 -3.874 1.00 0.00 C ATOM 1121 C LEU A 70 -0.465 -4.659 -4.153 1.00 0.00 C ATOM 1122 O LEU A 70 -0.594 -3.606 -3.529 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.791 -6.701 -2.738 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.413 -6.454 -1.363 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.223 -7.666 -0.466 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.808 -5.214 -0.721 1.00 0.00 C ATOM 0 H LEU A 70 -1.336 -7.650 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.353 -5.489 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.913 -7.754 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.280 -6.511 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.482 -6.288 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.672 -7.472 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.702 -8.533 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.158 -7.863 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.262 -5.052 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.267 -5.352 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.995 -4.348 -1.355 1.00 0.00 H new ATOM 1138 N ARG A 71 0.455 -4.837 -5.098 1.00 0.00 N ATOM 1139 CA ARG A 71 1.388 -3.779 -5.467 1.00 0.00 C ATOM 1140 C ARG A 71 0.666 -2.636 -6.174 1.00 0.00 C ATOM 1141 O ARG A 71 0.948 -1.464 -5.928 1.00 0.00 O ATOM 1142 CB ARG A 71 2.492 -4.335 -6.367 1.00 0.00 C ATOM 1143 CG ARG A 71 3.692 -4.866 -5.601 1.00 0.00 C ATOM 1144 CD ARG A 71 4.577 -5.732 -6.483 1.00 0.00 C ATOM 1145 NE ARG A 71 5.995 -5.562 -6.171 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.719 -4.516 -6.561 1.00 0.00 C ATOM 1147 NH1 ARG A 71 6.164 -3.545 -7.276 1.00 0.00 N ATOM 1148 NH2 ARG A 71 8.002 -4.439 -6.235 1.00 0.00 N ATOM 0 H ARG A 71 0.573 -5.704 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 71 1.836 -3.390 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.080 -5.136 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.824 -3.551 -7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.273 -4.031 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.350 -5.447 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.301 -6.779 -6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.403 -5.480 -7.529 1.00 0.00 H new ATOM 0 HE ARG A 71 6.456 -6.288 -5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.177 -3.598 -7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.724 -2.746 -7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.434 -5.182 -5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.557 -3.637 -6.534 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.264 -2.987 -7.056 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.024 -1.990 -7.802 1.00 0.00 C ATOM 1164 C GLN A 72 -1.812 -1.087 -6.858 1.00 0.00 C ATOM 1165 O GLN A 72 -1.833 0.132 -7.022 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.977 -2.674 -8.784 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.301 -3.717 -9.660 1.00 0.00 C ATOM 1168 CD GLN A 72 -2.023 -3.929 -10.976 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -2.438 -5.043 -11.296 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -2.177 -2.859 -11.747 1.00 0.00 N ATOM 0 H GLN A 72 -0.510 -3.953 -7.272 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.318 -1.375 -8.360 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.783 -3.149 -8.225 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.434 -1.917 -9.421 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.274 -3.409 -9.858 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.252 -4.663 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.817 -1.955 -11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.655 -2.941 -12.644 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.461 -1.694 -5.870 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.250 -0.945 -4.900 1.00 0.00 C ATOM 1181 C GLU A 73 -2.380 0.056 -4.146 1.00 0.00 C ATOM 1182 O GLU A 73 -2.703 1.241 -4.070 1.00 0.00 O ATOM 1183 CB GLU A 73 -3.923 -1.899 -3.911 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.785 -2.958 -4.580 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.107 -2.406 -5.075 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.091 -1.404 -5.820 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.159 -2.976 -4.717 1.00 0.00 O ATOM 0 H GLU A 73 -2.456 -2.703 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.018 -0.395 -5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.155 -2.391 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.540 -1.321 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.239 -3.389 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.975 -3.766 -3.874 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.275 -0.430 -3.590 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.357 0.422 -2.842 1.00 0.00 C ATOM 1196 C LEU A 74 0.360 1.397 -3.770 1.00 0.00 C ATOM 1197 O LEU A 74 0.677 2.522 -3.378 1.00 0.00 O ATOM 1198 CB LEU A 74 0.666 -0.432 -2.091 1.00 0.00 C ATOM 1199 CG LEU A 74 0.074 -1.391 -1.056 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.142 -2.341 -0.536 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.554 -0.612 0.090 1.00 0.00 C ATOM 0 H LEU A 74 -0.993 -1.409 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.939 0.997 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.236 -1.012 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.371 0.230 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.704 -1.983 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.702 -3.015 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.547 -2.922 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.943 -1.768 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.971 -1.308 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.206 0.004 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.348 0.027 -0.296 1.00 0.00 H new ATOM 1213 N ASN A 75 0.613 0.962 -4.999 1.00 0.00 N ATOM 1214 CA ASN A 75 1.295 1.797 -5.981 1.00 0.00 C ATOM 1215 C ASN A 75 0.505 3.075 -6.251 1.00 0.00 C ATOM 1216 O ASN A 75 1.053 4.177 -6.201 1.00 0.00 O ATOM 1217 CB ASN A 75 1.498 1.025 -7.286 1.00 0.00 C ATOM 1218 CG ASN A 75 2.275 1.822 -8.315 1.00 0.00 C ATOM 1219 OD1 ASN A 75 1.602 2.764 -8.965 1.00 0.00 O flip ATOM 1220 ND2 ASN A 75 3.467 1.594 -8.524 1.00 0.00 N flip ATOM 0 H ASN A 75 0.356 0.035 -5.339 1.00 0.00 H new ATOM 0 HA ASN A 75 2.268 2.071 -5.574 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.027 0.095 -7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.527 0.753 -7.699 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.945 0.860 -8.001 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.976 2.139 -9.220 1.00 0.00 H new ATOM 1227 N THR A 76 -0.783 2.921 -6.537 1.00 0.00 N ATOM 1228 CA THR A 76 -1.647 4.058 -6.814 1.00 0.00 C ATOM 1229 C THR A 76 -2.000 4.808 -5.542 1.00 0.00 C ATOM 1230 O THR A 76 -2.101 6.032 -5.546 1.00 0.00 O ATOM 1231 CB THR A 76 -2.925 3.616 -7.501 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.342 2.347 -7.029 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.808 3.537 -9.008 1.00 0.00 C ATOM 0 H THR A 76 -1.251 2.016 -6.583 1.00 0.00 H new ATOM 0 HA THR A 76 -1.094 4.724 -7.476 1.00 0.00 H new ATOM 0 HB THR A 76 -3.658 4.385 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.809 1.646 -7.459 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.760 3.215 -9.430 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.549 4.519 -9.405 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.031 2.821 -9.276 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.203 4.072 -4.452 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.557 4.691 -3.179 1.00 0.00 C ATOM 1243 C LEU A 77 -1.587 5.825 -2.871 1.00 0.00 C ATOM 1244 O LEU A 77 -1.945 6.811 -2.226 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.531 3.655 -2.053 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.837 2.885 -1.852 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.617 1.692 -0.936 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.913 3.802 -1.290 1.00 0.00 C ATOM 0 H LEU A 77 -2.129 3.055 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.567 5.093 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.733 2.940 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.278 4.160 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.173 2.515 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.557 1.156 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.878 1.025 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.258 2.039 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.836 3.239 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.586 4.201 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.089 4.624 -1.984 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.363 5.681 -3.363 1.00 0.00 N ATOM 1261 CA ALA A 78 0.663 6.691 -3.180 1.00 0.00 C ATOM 1262 C ALA A 78 0.370 7.931 -4.027 1.00 0.00 C ATOM 1263 O ALA A 78 0.775 9.039 -3.674 1.00 0.00 O ATOM 1264 CB ALA A 78 2.031 6.123 -3.527 1.00 0.00 C ATOM 0 H ALA A 78 -0.058 4.866 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 78 0.662 6.990 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.791 6.892 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.248 5.274 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.036 5.796 -4.567 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.321 7.739 -5.157 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.640 8.851 -6.054 1.00 0.00 C ATOM 1272 C ASN A 79 -1.264 10.031 -5.303 1.00 0.00 C ATOM 1273 O ASN A 79 -0.770 11.155 -5.389 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.584 8.384 -7.163 1.00 0.00 C ATOM 1275 CG ASN A 79 -1.258 9.014 -8.503 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.775 10.078 -8.844 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -0.396 8.357 -9.271 1.00 0.00 N ATOM 0 H ASN A 79 -0.667 6.831 -5.468 1.00 0.00 H new ATOM 0 HA ASN A 79 0.297 9.193 -6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.528 7.299 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.610 8.629 -6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.138 8.732 -10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.008 7.478 -8.948 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.359 9.799 -4.554 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.031 10.861 -3.797 1.00 0.00 C ATOM 1286 C PRO A 80 -2.165 11.399 -2.662 1.00 0.00 C ATOM 1287 O PRO A 80 -2.293 12.557 -2.266 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.280 10.173 -3.238 1.00 0.00 C ATOM 1289 CG PRO A 80 -3.938 8.723 -3.217 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.028 8.497 -4.391 1.00 0.00 C ATOM 0 HA PRO A 80 -3.253 11.726 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.519 10.538 -2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.151 10.365 -3.864 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.446 8.451 -2.283 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.835 8.109 -3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.312 7.698 -4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.586 8.216 -5.284 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.286 10.549 -2.143 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.399 10.940 -1.052 1.00 0.00 C ATOM 1300 C PHE A 81 0.723 11.841 -1.559 1.00 0.00 C ATOM 1301 O PHE A 81 0.972 12.911 -1.002 1.00 0.00 O ATOM 1302 CB PHE A 81 0.193 9.700 -0.379 1.00 0.00 C ATOM 1303 CG PHE A 81 1.076 10.017 0.794 1.00 0.00 C ATOM 1304 CD1 PHE A 81 0.533 10.208 2.054 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.448 10.124 0.636 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.344 10.499 3.135 1.00 0.00 C ATOM 1307 CE2 PHE A 81 3.264 10.415 1.713 1.00 0.00 C ATOM 1308 CZ PHE A 81 2.711 10.603 2.964 1.00 0.00 C ATOM 0 H PHE A 81 -1.168 9.586 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.986 11.497 -0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.620 9.054 -0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.768 9.137 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.535 10.129 2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.885 9.978 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.909 10.645 4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.332 10.495 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.346 10.831 3.807 1.00 0.00 H new ATOM 1318 N LEU A 82 1.397 11.401 -2.617 1.00 0.00 N ATOM 1319 CA LEU A 82 2.492 12.169 -3.197 1.00 0.00 C ATOM 1320 C LEU A 82 1.968 13.413 -3.908 1.00 0.00 C ATOM 1321 O LEU A 82 2.534 14.498 -3.777 1.00 0.00 O ATOM 1322 CB LEU A 82 3.285 11.303 -4.178 1.00 0.00 C ATOM 1323 CG LEU A 82 4.367 10.429 -3.541 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.686 9.239 -4.434 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.622 11.248 -3.275 1.00 0.00 C ATOM 0 H LEU A 82 1.204 10.518 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 82 3.150 12.486 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.589 10.659 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.753 11.953 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 82 3.991 10.053 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.458 8.629 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.787 8.640 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.043 9.595 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.382 10.612 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.999 11.651 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.384 12.068 -2.598 1.00 0.00 H new ATOM 1337 N ALA A 83 0.887 13.246 -4.661 1.00 0.00 N ATOM 1338 CA ALA A 83 0.286 14.356 -5.392 1.00 0.00 C ATOM 1339 C ALA A 83 -0.147 15.468 -4.445 1.00 0.00 C ATOM 1340 O ALA A 83 -0.006 16.651 -4.754 1.00 0.00 O ATOM 1341 CB ALA A 83 -0.897 13.867 -6.214 1.00 0.00 C ATOM 0 H ALA A 83 0.409 12.353 -4.782 1.00 0.00 H new ATOM 0 HA ALA A 83 1.039 14.764 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.336 14.706 -6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.559 13.114 -6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.645 13.431 -5.552 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.676 15.081 -3.289 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.130 16.046 -2.295 1.00 0.00 C ATOM 1349 C LYS A 84 0.054 16.701 -1.591 1.00 0.00 C ATOM 1350 O LYS A 84 0.103 17.922 -1.443 1.00 0.00 O ATOM 1351 CB LYS A 84 -2.035 15.364 -1.267 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.482 15.241 -1.717 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.315 14.468 -0.708 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.715 15.049 -0.582 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.632 14.520 -1.628 1.00 0.00 N ATOM 0 H LYS A 84 -0.801 14.106 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.697 16.821 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.644 14.369 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.000 15.927 -0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.907 16.235 -1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.522 14.740 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.379 13.423 -1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.822 14.488 0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.117 14.817 0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.665 16.135 -0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.576 14.940 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.262 14.763 -2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.700 13.486 -1.540 1.00 0.00 H new ATOM 1369 N TYR A 85 1.006 15.881 -1.158 1.00 0.00 N ATOM 1370 CA TYR A 85 2.190 16.381 -0.469 1.00 0.00 C ATOM 1371 C TYR A 85 2.979 17.332 -1.364 1.00 0.00 C ATOM 1372 O TYR A 85 3.362 18.423 -0.941 1.00 0.00 O ATOM 1373 CB TYR A 85 3.079 15.214 -0.028 1.00 0.00 C ATOM 1374 CG TYR A 85 3.326 15.171 1.463 1.00 0.00 C ATOM 1375 CD1 TYR A 85 4.354 15.907 2.038 1.00 0.00 C ATOM 1376 CD2 TYR A 85 2.529 14.394 2.296 1.00 0.00 C ATOM 1377 CE1 TYR A 85 4.582 15.870 3.401 1.00 0.00 C ATOM 1378 CE2 TYR A 85 2.751 14.352 3.659 1.00 0.00 C ATOM 1379 CZ TYR A 85 3.779 15.091 4.206 1.00 0.00 C ATOM 1380 OH TYR A 85 4.003 15.052 5.564 1.00 0.00 O ATOM 0 H TYR A 85 0.981 14.868 -1.272 1.00 0.00 H new ATOM 0 HA TYR A 85 1.863 16.932 0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.615 14.278 -0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.036 15.282 -0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.985 16.518 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.723 13.814 1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.385 16.449 3.833 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.123 13.744 4.293 1.00 0.00 H new ATOM 0 HH TYR A 85 3.349 14.457 5.986 1.00 0.00 H new ATOM 1390 N ARG A 86 3.218 16.909 -2.601 1.00 0.00 N ATOM 1391 CA ARG A 86 3.961 17.724 -3.556 1.00 0.00 C ATOM 1392 C ARG A 86 3.253 19.051 -3.806 1.00 0.00 C ATOM 1393 O ARG A 86 3.896 20.088 -3.976 1.00 0.00 O ATOM 1394 CB ARG A 86 4.136 16.969 -4.875 1.00 0.00 C ATOM 1395 CG ARG A 86 5.472 17.228 -5.551 1.00 0.00 C ATOM 1396 CD ARG A 86 6.516 16.207 -5.131 1.00 0.00 C ATOM 1397 NE ARG A 86 7.401 15.843 -6.235 1.00 0.00 N ATOM 1398 CZ ARG A 86 7.020 15.113 -7.280 1.00 0.00 C ATOM 1399 NH1 ARG A 86 5.773 14.668 -7.369 1.00 0.00 N ATOM 1400 NH2 ARG A 86 7.889 14.827 -8.241 1.00 0.00 N ATOM 0 H ARG A 86 2.909 16.008 -2.965 1.00 0.00 H new ATOM 0 HA ARG A 86 4.943 17.932 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.034 15.900 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.333 17.252 -5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.346 17.196 -6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.820 18.230 -5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.108 16.611 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.018 15.313 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 86 8.367 16.168 -6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.100 14.885 -6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.487 14.109 -8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.849 15.167 -8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.597 14.267 -9.042 1.00 0.00 H new ATOM 1414 N ASP A 87 1.925 19.012 -3.827 1.00 0.00 N ATOM 1415 CA ASP A 87 1.128 20.212 -4.056 1.00 0.00 C ATOM 1416 C ASP A 87 1.043 21.059 -2.791 1.00 0.00 C ATOM 1417 O ASP A 87 0.961 22.286 -2.857 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.277 19.835 -4.528 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.846 20.839 -5.511 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -0.516 20.746 -6.712 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -1.621 21.719 -5.080 1.00 0.00 O ATOM 0 H ASP A 87 1.378 18.163 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 87 1.618 20.800 -4.832 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.248 18.850 -4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.939 19.760 -3.665 1.00 0.00 H new ATOM 1426 N PHE A 88 1.062 20.396 -1.639 1.00 0.00 N ATOM 1427 CA PHE A 88 0.986 21.088 -0.357 1.00 0.00 C ATOM 1428 C PHE A 88 2.200 21.988 -0.153 1.00 0.00 C ATOM 1429 O PHE A 88 2.066 23.151 0.227 1.00 0.00 O ATOM 1430 CB PHE A 88 0.888 20.077 0.786 1.00 0.00 C ATOM 1431 CG PHE A 88 -0.004 20.525 1.909 1.00 0.00 C ATOM 1432 CD1 PHE A 88 0.156 21.778 2.481 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -1.002 19.695 2.392 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -0.663 22.193 3.513 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -1.824 20.104 3.425 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.654 21.355 3.986 1.00 0.00 C ATOM 0 H PHE A 88 1.129 19.381 -1.567 1.00 0.00 H new ATOM 0 HA PHE A 88 0.091 21.710 -0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.516 19.131 0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.887 19.888 1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.930 22.437 2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.140 18.716 1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.529 23.172 3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.598 19.447 3.793 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.295 21.677 4.793 1.00 0.00 H new ATOM 1446 N LEU A 89 3.385 21.442 -0.407 1.00 0.00 N ATOM 1447 CA LEU A 89 4.624 22.196 -0.250 1.00 0.00 C ATOM 1448 C LEU A 89 5.516 22.039 -1.478 1.00 0.00 C ATOM 1449 O LEU A 89 5.618 22.946 -2.304 1.00 0.00 O ATOM 1450 CB LEU A 89 5.376 21.742 1.005 1.00 0.00 C ATOM 1451 CG LEU A 89 5.138 20.286 1.419 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.432 19.647 1.902 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.069 20.209 2.500 1.00 0.00 C ATOM 0 H LEU A 89 3.514 20.481 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 89 4.364 23.249 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.444 21.886 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.091 22.390 1.834 1.00 0.00 H new ATOM 0 HG LEU A 89 4.789 19.733 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.242 18.613 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.170 19.669 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.812 20.200 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.912 19.168 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.392 20.777 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.137 20.626 2.120 1.00 0.00 H new ATOM 1465 N LYS A 90 6.161 20.882 -1.592 1.00 0.00 N ATOM 1466 CA LYS A 90 7.044 20.607 -2.719 1.00 0.00 C ATOM 1467 C LYS A 90 7.263 19.107 -2.886 1.00 0.00 C ATOM 1468 O LYS A 90 7.851 18.706 -3.912 1.00 0.00 O ATOM 1469 CB LYS A 90 8.387 21.313 -2.526 1.00 0.00 C ATOM 1470 CG LYS A 90 9.020 21.782 -3.826 1.00 0.00 C ATOM 1471 CD LYS A 90 10.537 21.711 -3.764 1.00 0.00 C ATOM 1472 CE LYS A 90 11.062 20.437 -4.407 1.00 0.00 C ATOM 1473 NZ LYS A 90 11.486 20.662 -5.817 1.00 0.00 N ATOM 1474 OXT LYS A 90 6.846 18.345 -1.989 1.00 1.00 O ATOM 0 H LYS A 90 6.088 20.120 -0.918 1.00 0.00 H new ATOM 0 HA LYS A 90 6.568 20.988 -3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.246 22.172 -1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.075 20.635 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.659 21.167 -4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.711 22.806 -4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.964 22.577 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.862 21.756 -2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.906 20.060 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.288 19.670 -4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.838 19.770 -6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.675 20.998 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.242 21.375 -5.842 1.00 0.00 H new