USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=15 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 66 HIS : no HE2:sc= -2.29 K(o=-5.2,f=-6.2) USER MOD Set 1.2: A 133 HIS : no HE2:sc= -2.9! C(o=-5.2!,f=-6.2!) USER MOD Set 2.1: A 12 GLN : amide:sc= 1.71 K(o=1.4,f=-9.5!) USER MOD Set 2.2: A 39 GLN : amide:sc= -0.272 K(o=1.4,f=0.44) USER MOD Set 3.1: A 8 ASN :FLIP amide:sc= -0.633 F(o=-1.8,f=-1.2) USER MOD Set 3.2: A 9 SER OG : rot 170:sc= -0.527 USER MOD Single : A 4 LYS NZ :NH3+ -127:sc= -0.0788 (180deg=-1.13) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= -0.773 (180deg=-0.794) USER MOD Single : A 15 THR OG1 : rot 46:sc= 0.513 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -122:sc= -0.35 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 76:sc= 1.78 USER MOD Single : A 68 THR OG1 : rot -12:sc= 1.09 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc=-0.00124 F(o=-1.3,f=-0.0012) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.574 K(o=-0.57,f=-2.7!) USER MOD Single : A 102 LYS NZ :NH3+ -147:sc= -0.226 (180deg=-1.51!) USER MOD Single : A 107 LYS NZ :NH3+ 165:sc= -0.0202 (180deg=-0.26) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 3.914 -3.724 -2.145 1.00 0.00 N ATOM 30 CA PHE A 3 3.617 -4.978 -1.462 1.00 0.00 C ATOM 31 C PHE A 3 4.818 -5.918 -1.504 1.00 0.00 C ATOM 32 O PHE A 3 5.651 -5.839 -2.407 1.00 0.00 O ATOM 33 CB PHE A 3 2.402 -5.655 -2.101 1.00 0.00 C ATOM 34 CG PHE A 3 1.846 -6.784 -1.281 1.00 0.00 C ATOM 35 CD1 PHE A 3 2.324 -8.075 -1.441 1.00 0.00 C ATOM 36 CD2 PHE A 3 0.846 -6.555 -0.349 1.00 0.00 C ATOM 37 CE1 PHE A 3 1.813 -9.116 -0.689 1.00 0.00 C ATOM 38 CE2 PHE A 3 0.332 -7.592 0.406 1.00 0.00 C ATOM 39 CZ PHE A 3 0.817 -8.874 0.237 1.00 0.00 C ATOM 0 HA PHE A 3 3.392 -4.751 -0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.621 -4.911 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.682 -6.034 -3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.105 -8.270 -2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.464 -5.554 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.192 -10.118 -0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.448 -7.400 1.128 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.418 -9.686 0.828 1.00 0.00 H new ATOM 49 N LYS A 4 4.900 -6.807 -0.520 1.00 0.00 N ATOM 50 CA LYS A 4 5.998 -7.763 -0.442 1.00 0.00 C ATOM 51 C LYS A 4 5.504 -9.118 0.054 1.00 0.00 C ATOM 52 O LYS A 4 4.678 -9.194 0.964 1.00 0.00 O ATOM 53 CB LYS A 4 7.095 -7.237 0.485 1.00 0.00 C ATOM 54 CG LYS A 4 8.230 -6.542 -0.247 1.00 0.00 C ATOM 55 CD LYS A 4 9.109 -7.538 -0.986 1.00 0.00 C ATOM 56 CE LYS A 4 10.101 -8.209 -0.048 1.00 0.00 C ATOM 57 NZ LYS A 4 9.600 -9.522 0.442 1.00 0.00 N ATOM 0 H LYS A 4 4.219 -6.885 0.235 1.00 0.00 H new ATOM 0 HA LYS A 4 6.409 -7.890 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.653 -6.540 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.501 -8.068 1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.820 -5.821 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.834 -5.981 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.484 -8.296 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.649 -7.027 -1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.050 -8.352 -0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.297 -7.555 0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.641 -9.543 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.617 -9.656 0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.192 -10.285 0.056 1.00 0.00 H new ATOM 71 N PHE A 5 6.017 -10.186 -0.548 1.00 0.00 N ATOM 72 CA PHE A 5 5.628 -11.539 -0.167 1.00 0.00 C ATOM 73 C PHE A 5 5.805 -11.753 1.333 1.00 0.00 C ATOM 74 O PHE A 5 6.903 -11.608 1.867 1.00 0.00 O ATOM 75 CB PHE A 5 6.455 -12.568 -0.941 1.00 0.00 C ATOM 76 CG PHE A 5 6.513 -12.302 -2.418 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.424 -11.757 -3.080 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.655 -12.597 -3.145 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.474 -11.510 -4.439 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.711 -12.352 -4.504 1.00 0.00 C ATOM 81 CZ PHE A 5 6.619 -11.809 -5.152 1.00 0.00 C ATOM 0 H PHE A 5 6.703 -10.141 -1.302 1.00 0.00 H new ATOM 0 HA PHE A 5 4.574 -11.670 -0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.469 -12.581 -0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.034 -13.560 -0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.526 -11.523 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.511 -13.023 -2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.619 -11.084 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.608 -12.585 -5.059 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.660 -11.618 -6.214 1.00 0.00 H new ATOM 91 N GLY A 6 4.712 -12.099 2.009 1.00 0.00 N ATOM 92 CA GLY A 6 4.767 -12.326 3.441 1.00 0.00 C ATOM 93 C GLY A 6 5.576 -13.556 3.802 1.00 0.00 C ATOM 94 O GLY A 6 6.266 -14.126 2.956 1.00 0.00 O ATOM 0 H GLY A 6 3.791 -12.226 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.202 -11.453 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.754 -12.435 3.828 1.00 0.00 H new ATOM 98 N LYS A 7 5.495 -13.966 5.063 1.00 0.00 N ATOM 99 CA LYS A 7 6.226 -15.136 5.537 1.00 0.00 C ATOM 100 C LYS A 7 5.752 -16.398 4.824 1.00 0.00 C ATOM 101 O LYS A 7 6.546 -17.291 4.530 1.00 0.00 O ATOM 102 CB LYS A 7 6.052 -15.294 7.049 1.00 0.00 C ATOM 103 CG LYS A 7 7.247 -15.932 7.735 1.00 0.00 C ATOM 104 CD LYS A 7 7.121 -17.446 7.782 1.00 0.00 C ATOM 105 CE LYS A 7 6.377 -17.905 9.027 1.00 0.00 C ATOM 106 NZ LYS A 7 5.953 -19.329 8.926 1.00 0.00 N ATOM 0 H LYS A 7 4.930 -13.505 5.776 1.00 0.00 H new ATOM 0 HA LYS A 7 7.283 -14.989 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.871 -14.314 7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.166 -15.899 7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.160 -15.658 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.337 -15.542 8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.596 -17.796 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.114 -17.896 7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.017 -17.778 9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.501 -17.275 9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.450 -19.604 9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.322 -19.446 8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.791 -19.933 8.806 1.00 0.00 H new ATOM 120 N ASN A 8 4.453 -16.465 4.550 1.00 0.00 N ATOM 121 CA ASN A 8 3.874 -17.619 3.871 1.00 0.00 C ATOM 122 C ASN A 8 4.188 -17.586 2.379 1.00 0.00 C ATOM 123 O ASN A 8 4.568 -18.599 1.791 1.00 0.00 O ATOM 124 CB ASN A 8 2.360 -17.655 4.085 1.00 0.00 C ATOM 125 CG ASN A 8 1.684 -16.367 3.654 1.00 0.00 C ATOM 126 OD1 ASN A 8 1.630 -15.397 4.560 1.00 0.00 O flip ATOM 127 ND2 ASN A 8 1.218 -16.246 2.522 1.00 0.00 N flip ATOM 0 H ASN A 8 3.782 -15.735 4.787 1.00 0.00 H new ATOM 0 HA ASN A 8 4.316 -18.520 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.937 -18.489 3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.149 -17.838 5.139 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.282 -17.018 1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.767 -15.373 2.247 1.00 0.00 H new ATOM 134 N SER A 9 4.027 -16.415 1.771 1.00 0.00 N ATOM 135 CA SER A 9 4.290 -16.250 0.346 1.00 0.00 C ATOM 136 C SER A 9 5.760 -16.508 0.032 1.00 0.00 C ATOM 137 O SER A 9 6.087 -17.317 -0.836 1.00 0.00 O ATOM 138 CB SER A 9 3.899 -14.842 -0.106 1.00 0.00 C ATOM 139 OG SER A 9 2.497 -14.652 -0.030 1.00 0.00 O ATOM 0 H SER A 9 3.716 -15.566 2.243 1.00 0.00 H new ATOM 0 HA SER A 9 3.688 -16.978 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.403 -14.104 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.236 -14.679 -1.130 1.00 0.00 H new ATOM 0 HG SER A 9 2.287 -13.705 -0.167 1.00 0.00 H new ATOM 145 N GLU A 10 6.642 -15.814 0.745 1.00 0.00 N ATOM 146 CA GLU A 10 8.078 -15.967 0.541 1.00 0.00 C ATOM 147 C GLU A 10 8.477 -17.439 0.569 1.00 0.00 C ATOM 148 O GLU A 10 9.332 -17.878 -0.201 1.00 0.00 O ATOM 149 CB GLU A 10 8.852 -15.196 1.612 1.00 0.00 C ATOM 150 CG GLU A 10 10.353 -15.433 1.567 1.00 0.00 C ATOM 151 CD GLU A 10 11.118 -14.504 2.490 1.00 0.00 C ATOM 152 OE1 GLU A 10 10.569 -14.134 3.549 1.00 0.00 O ATOM 153 OE2 GLU A 10 12.266 -14.148 2.153 1.00 0.00 O ATOM 0 H GLU A 10 6.388 -15.141 1.468 1.00 0.00 H new ATOM 0 HA GLU A 10 8.326 -15.560 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.657 -14.130 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.477 -15.481 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.562 -16.467 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.708 -15.298 0.545 1.00 0.00 H new ATOM 160 N LYS A 11 7.853 -18.199 1.464 1.00 0.00 N ATOM 161 CA LYS A 11 8.141 -19.622 1.594 1.00 0.00 C ATOM 162 C LYS A 11 7.511 -20.412 0.451 1.00 0.00 C ATOM 163 O LYS A 11 8.088 -21.383 -0.036 1.00 0.00 O ATOM 164 CB LYS A 11 7.626 -20.147 2.936 1.00 0.00 C ATOM 165 CG LYS A 11 7.562 -21.662 3.012 1.00 0.00 C ATOM 166 CD LYS A 11 6.132 -22.166 2.919 1.00 0.00 C ATOM 167 CE LYS A 11 5.949 -23.110 1.741 1.00 0.00 C ATOM 168 NZ LYS A 11 6.122 -24.534 2.140 1.00 0.00 N ATOM 0 H LYS A 11 7.144 -17.852 2.110 1.00 0.00 H new ATOM 0 HA LYS A 11 9.222 -19.754 1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.272 -19.779 3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.631 -19.740 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.154 -22.093 2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.007 -21.999 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.865 -22.679 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.453 -21.320 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.956 -22.970 1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.669 -22.861 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.040 -25.142 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.060 -24.662 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.387 -24.793 2.828 1.00 0.00 H new ATOM 182 N GLN A 12 6.325 -19.987 0.028 1.00 0.00 N ATOM 183 CA GLN A 12 5.617 -20.655 -1.058 1.00 0.00 C ATOM 184 C GLN A 12 6.476 -20.705 -2.317 1.00 0.00 C ATOM 185 O GLN A 12 6.647 -21.763 -2.923 1.00 0.00 O ATOM 186 CB GLN A 12 4.299 -19.937 -1.353 1.00 0.00 C ATOM 187 CG GLN A 12 3.244 -20.135 -0.277 1.00 0.00 C ATOM 188 CD GLN A 12 2.221 -21.190 -0.648 1.00 0.00 C ATOM 189 OE1 GLN A 12 2.404 -21.937 -1.610 1.00 0.00 O ATOM 190 NE2 GLN A 12 1.136 -21.257 0.114 1.00 0.00 N ATOM 0 H GLN A 12 5.834 -19.184 0.420 1.00 0.00 H new ATOM 0 HA GLN A 12 5.403 -21.677 -0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.494 -18.871 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.906 -20.293 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.731 -20.419 0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.734 -19.189 -0.095 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.026 -20.618 0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.413 -21.947 -0.088 1.00 0.00 H new ATOM 199 N LEU A 13 7.014 -19.554 -2.706 1.00 0.00 N ATOM 200 CA LEU A 13 7.856 -19.466 -3.895 1.00 0.00 C ATOM 201 C LEU A 13 9.243 -20.040 -3.623 1.00 0.00 C ATOM 202 O LEU A 13 9.927 -20.495 -4.539 1.00 0.00 O ATOM 203 CB LEU A 13 7.974 -18.012 -4.354 1.00 0.00 C ATOM 204 CG LEU A 13 6.682 -17.355 -4.841 1.00 0.00 C ATOM 205 CD1 LEU A 13 5.918 -18.296 -5.758 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.817 -16.938 -3.661 1.00 0.00 C ATOM 0 H LEU A 13 6.882 -18.669 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 13 7.389 -20.053 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.369 -17.422 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.708 -17.964 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 13 6.943 -16.461 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.001 -17.811 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.536 -18.544 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.668 -19.208 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.902 -16.472 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.565 -17.816 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.364 -16.226 -3.043 1.00 0.00 H new ATOM 218 N ALA A 14 9.649 -20.018 -2.358 1.00 0.00 N ATOM 219 CA ALA A 14 10.952 -20.540 -1.966 1.00 0.00 C ATOM 220 C ALA A 14 10.952 -22.065 -1.956 1.00 0.00 C ATOM 221 O ALA A 14 12.001 -22.696 -1.818 1.00 0.00 O ATOM 222 CB ALA A 14 11.347 -20.002 -0.598 1.00 0.00 C ATOM 0 H ALA A 14 9.095 -19.644 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 14 11.685 -20.207 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.322 -20.400 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.397 -18.914 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.605 -20.306 0.141 1.00 0.00 H new ATOM 228 N THR A 15 9.769 -22.653 -2.101 1.00 0.00 N ATOM 229 CA THR A 15 9.632 -24.104 -2.107 1.00 0.00 C ATOM 230 C THR A 15 9.439 -24.633 -3.524 1.00 0.00 C ATOM 231 O THR A 15 9.544 -25.835 -3.769 1.00 0.00 O ATOM 232 CB THR A 15 8.448 -24.561 -1.235 1.00 0.00 C ATOM 233 OG1 THR A 15 7.421 -23.562 -1.242 1.00 0.00 O ATOM 234 CG2 THR A 15 8.898 -24.823 0.195 1.00 0.00 C ATOM 0 H THR A 15 8.891 -22.146 -2.216 1.00 0.00 H new ATOM 0 HA THR A 15 10.555 -24.509 -1.693 1.00 0.00 H new ATOM 0 HB THR A 15 8.055 -25.489 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.271 -23.254 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.045 -25.145 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.659 -25.604 0.200 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.313 -23.909 0.619 1.00 0.00 H new ATOM 242 N VAL A 16 9.155 -23.727 -4.455 1.00 0.00 N ATOM 243 CA VAL A 16 8.948 -24.102 -5.848 1.00 0.00 C ATOM 244 C VAL A 16 10.156 -24.852 -6.400 1.00 0.00 C ATOM 245 O VAL A 16 11.298 -24.557 -6.049 1.00 0.00 O ATOM 246 CB VAL A 16 8.679 -22.867 -6.728 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.982 -22.166 -7.078 1.00 0.00 C ATOM 248 CG2 VAL A 16 7.923 -23.265 -7.987 1.00 0.00 C ATOM 0 H VAL A 16 9.063 -22.728 -4.269 1.00 0.00 H new ATOM 0 HA VAL A 16 8.075 -24.754 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 16 8.059 -22.169 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.771 -21.296 -7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.480 -21.846 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.630 -22.853 -7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.741 -22.380 -8.597 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.515 -23.983 -8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.970 -23.718 -7.712 1.00 0.00 H new ATOM 258 N LYS A 17 9.895 -25.824 -7.268 1.00 0.00 N ATOM 259 CA LYS A 17 10.960 -26.617 -7.872 1.00 0.00 C ATOM 260 C LYS A 17 11.730 -25.798 -8.903 1.00 0.00 C ATOM 261 O LYS A 17 12.938 -25.588 -8.789 1.00 0.00 O ATOM 262 CB LYS A 17 10.379 -27.870 -8.531 1.00 0.00 C ATOM 263 CG LYS A 17 10.901 -29.167 -7.937 1.00 0.00 C ATOM 264 CD LYS A 17 10.190 -29.510 -6.638 1.00 0.00 C ATOM 265 CE LYS A 17 11.006 -29.084 -5.427 1.00 0.00 C ATOM 266 NZ LYS A 17 11.054 -30.150 -4.388 1.00 0.00 N ATOM 0 H LYS A 17 8.955 -26.082 -7.569 1.00 0.00 H new ATOM 0 HA LYS A 17 11.650 -26.915 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.293 -27.849 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.609 -27.850 -9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.764 -29.977 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.972 -29.080 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.217 -29.019 -6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.006 -30.584 -6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.020 -28.837 -5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.575 -28.179 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.619 -29.821 -3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.088 -30.368 -4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.488 -31.006 -4.789 1.00 0.00 H new ATOM 280 N PRO A 18 11.017 -25.321 -9.934 1.00 0.00 N ATOM 281 CA PRO A 18 11.613 -24.516 -11.004 1.00 0.00 C ATOM 282 C PRO A 18 12.028 -23.129 -10.523 1.00 0.00 C ATOM 283 O PRO A 18 12.107 -22.878 -9.321 1.00 0.00 O ATOM 284 CB PRO A 18 10.488 -24.409 -12.037 1.00 0.00 C ATOM 285 CG PRO A 18 9.234 -24.582 -11.251 1.00 0.00 C ATOM 286 CD PRO A 18 9.573 -25.531 -10.135 1.00 0.00 C ATOM 0 HA PRO A 18 12.526 -24.967 -11.393 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.507 -23.445 -12.545 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.582 -25.176 -12.806 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.884 -23.627 -10.859 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.435 -24.982 -11.875 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.005 -25.308 -9.232 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.351 -26.564 -10.404 1.00 0.00 H new ATOM 294 N GLU A 19 12.291 -22.234 -11.470 1.00 0.00 N ATOM 295 CA GLU A 19 12.698 -20.873 -11.141 1.00 0.00 C ATOM 296 C GLU A 19 11.625 -19.869 -11.555 1.00 0.00 C ATOM 297 O GLU A 19 11.884 -18.668 -11.645 1.00 0.00 O ATOM 298 CB GLU A 19 14.022 -20.533 -11.828 1.00 0.00 C ATOM 299 CG GLU A 19 14.084 -20.972 -13.281 1.00 0.00 C ATOM 300 CD GLU A 19 14.642 -22.373 -13.444 1.00 0.00 C ATOM 301 OE1 GLU A 19 15.855 -22.559 -13.216 1.00 0.00 O ATOM 302 OE2 GLU A 19 13.864 -23.283 -13.800 1.00 0.00 O ATOM 0 H GLU A 19 12.230 -22.427 -12.470 1.00 0.00 H new ATOM 0 HA GLU A 19 12.831 -20.812 -10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.183 -19.456 -11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.838 -21.004 -11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.084 -20.931 -13.712 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.702 -20.271 -13.842 1.00 0.00 H new ATOM 309 N LEU A 20 10.420 -20.369 -11.805 1.00 0.00 N ATOM 310 CA LEU A 20 9.307 -19.518 -12.210 1.00 0.00 C ATOM 311 C LEU A 20 9.122 -18.362 -11.232 1.00 0.00 C ATOM 312 O LEU A 20 8.705 -17.271 -11.618 1.00 0.00 O ATOM 313 CB LEU A 20 8.019 -20.337 -12.298 1.00 0.00 C ATOM 314 CG LEU A 20 7.438 -20.820 -10.968 1.00 0.00 C ATOM 315 CD1 LEU A 20 6.494 -19.778 -10.388 1.00 0.00 C ATOM 316 CD2 LEU A 20 6.720 -22.149 -11.151 1.00 0.00 C ATOM 0 H LEU A 20 10.189 -21.360 -11.734 1.00 0.00 H new ATOM 0 HA LEU A 20 9.536 -19.106 -13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.264 -19.736 -12.804 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.208 -21.207 -12.926 1.00 0.00 H new ATOM 0 HG LEU A 20 8.259 -20.967 -10.267 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.090 -20.139 -9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.038 -18.848 -10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.677 -19.599 -11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.313 -22.477 -10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.908 -22.028 -11.868 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.424 -22.895 -11.521 1.00 0.00 H new ATOM 328 N GLN A 21 9.438 -18.609 -9.964 1.00 0.00 N ATOM 329 CA GLN A 21 9.308 -17.588 -8.932 1.00 0.00 C ATOM 330 C GLN A 21 10.159 -16.367 -9.264 1.00 0.00 C ATOM 331 O GLN A 21 9.824 -15.243 -8.891 1.00 0.00 O ATOM 332 CB GLN A 21 9.716 -18.154 -7.571 1.00 0.00 C ATOM 333 CG GLN A 21 11.147 -18.667 -7.529 1.00 0.00 C ATOM 334 CD GLN A 21 11.631 -18.931 -6.117 1.00 0.00 C ATOM 335 OE1 GLN A 21 12.138 -20.012 -5.814 1.00 0.00 O ATOM 336 NE2 GLN A 21 11.477 -17.943 -5.243 1.00 0.00 N ATOM 0 H GLN A 21 9.786 -19.507 -9.628 1.00 0.00 H new ATOM 0 HA GLN A 21 8.263 -17.280 -8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.594 -17.380 -6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.040 -18.967 -7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.217 -19.586 -8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.804 -17.939 -8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.052 -17.064 -5.537 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.784 -18.063 -4.278 1.00 0.00 H new ATOM 345 N LYS A 22 11.264 -16.595 -9.967 1.00 0.00 N ATOM 346 CA LYS A 22 12.164 -15.514 -10.351 1.00 0.00 C ATOM 347 C LYS A 22 11.398 -14.384 -11.032 1.00 0.00 C ATOM 348 O LYS A 22 11.461 -13.232 -10.604 1.00 0.00 O ATOM 349 CB LYS A 22 13.256 -16.040 -11.284 1.00 0.00 C ATOM 350 CG LYS A 22 14.264 -16.942 -10.594 1.00 0.00 C ATOM 351 CD LYS A 22 15.572 -17.010 -11.365 1.00 0.00 C ATOM 352 CE LYS A 22 16.563 -15.965 -10.875 1.00 0.00 C ATOM 353 NZ LYS A 22 17.971 -16.361 -11.156 1.00 0.00 N ATOM 0 H LYS A 22 11.558 -17.520 -10.282 1.00 0.00 H new ATOM 0 HA LYS A 22 12.627 -15.121 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.790 -16.589 -12.102 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.782 -15.194 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.454 -16.573 -9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.848 -17.944 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.007 -18.004 -11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.378 -16.859 -12.427 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.351 -15.010 -11.356 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.434 -15.817 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.615 -15.623 -10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.181 -17.259 -10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.101 -16.477 -12.181 1.00 0.00 H new ATOM 367 N VAL A 23 10.674 -14.723 -12.094 1.00 0.00 N ATOM 368 CA VAL A 23 9.894 -13.737 -12.833 1.00 0.00 C ATOM 369 C VAL A 23 8.897 -13.030 -11.922 1.00 0.00 C ATOM 370 O VAL A 23 8.693 -11.821 -12.029 1.00 0.00 O ATOM 371 CB VAL A 23 9.132 -14.387 -14.003 1.00 0.00 C ATOM 372 CG1 VAL A 23 7.951 -13.522 -14.418 1.00 0.00 C ATOM 373 CG2 VAL A 23 10.066 -14.627 -15.179 1.00 0.00 C ATOM 0 H VAL A 23 10.611 -15.672 -12.462 1.00 0.00 H new ATOM 0 HA VAL A 23 10.600 -13.007 -13.229 1.00 0.00 H new ATOM 0 HB VAL A 23 8.747 -15.351 -13.671 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.425 -13.997 -15.246 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.271 -13.406 -13.574 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.310 -12.542 -14.732 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.511 -15.087 -15.997 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.483 -13.677 -15.513 1.00 0.00 H new ATOM 0 HG23 VAL A 23 10.875 -15.290 -14.872 1.00 0.00 H new ATOM 383 N ALA A 24 8.280 -13.792 -11.026 1.00 0.00 N ATOM 384 CA ALA A 24 7.306 -13.238 -10.093 1.00 0.00 C ATOM 385 C ALA A 24 7.935 -12.160 -9.218 1.00 0.00 C ATOM 386 O ALA A 24 7.412 -11.050 -9.111 1.00 0.00 O ATOM 387 CB ALA A 24 6.714 -14.343 -9.230 1.00 0.00 C ATOM 0 H ALA A 24 8.437 -14.795 -10.926 1.00 0.00 H new ATOM 0 HA ALA A 24 6.506 -12.777 -10.673 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.989 -13.915 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.219 -15.076 -9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.510 -14.830 -8.666 1.00 0.00 H new ATOM 393 N ARG A 25 9.060 -12.493 -8.593 1.00 0.00 N ATOM 394 CA ARG A 25 9.759 -11.554 -7.725 1.00 0.00 C ATOM 395 C ARG A 25 10.136 -10.287 -8.487 1.00 0.00 C ATOM 396 O ARG A 25 9.779 -9.179 -8.085 1.00 0.00 O ATOM 397 CB ARG A 25 11.015 -12.203 -7.142 1.00 0.00 C ATOM 398 CG ARG A 25 10.764 -13.571 -6.527 1.00 0.00 C ATOM 399 CD ARG A 25 11.501 -13.731 -5.206 1.00 0.00 C ATOM 400 NE ARG A 25 12.891 -14.135 -5.401 1.00 0.00 N ATOM 401 CZ ARG A 25 13.628 -14.712 -4.458 1.00 0.00 C ATOM 402 NH1 ARG A 25 13.109 -14.952 -3.261 1.00 0.00 N ATOM 403 NH2 ARG A 25 14.886 -15.050 -4.711 1.00 0.00 N ATOM 0 H ARG A 25 9.507 -13.407 -8.672 1.00 0.00 H new ATOM 0 HA ARG A 25 9.087 -11.282 -6.911 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.763 -12.299 -7.929 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.435 -11.544 -6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.695 -13.709 -6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.085 -14.348 -7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.471 -12.790 -4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.990 -14.474 -4.593 1.00 0.00 H new ATOM 0 HE ARG A 25 13.319 -13.965 -6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.142 -14.694 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.677 -15.395 -2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.288 -14.867 -5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.451 -15.493 -3.986 1.00 0.00 H new ATOM 417 N ARG A 26 10.859 -10.458 -9.589 1.00 0.00 N ATOM 418 CA ARG A 26 11.285 -9.328 -10.406 1.00 0.00 C ATOM 419 C ARG A 26 10.083 -8.527 -10.897 1.00 0.00 C ATOM 420 O ARG A 26 10.087 -7.297 -10.861 1.00 0.00 O ATOM 421 CB ARG A 26 12.107 -9.817 -11.600 1.00 0.00 C ATOM 422 CG ARG A 26 12.990 -8.742 -12.213 1.00 0.00 C ATOM 423 CD ARG A 26 14.286 -9.325 -12.752 1.00 0.00 C ATOM 424 NE ARG A 26 15.315 -8.304 -12.927 1.00 0.00 N ATOM 425 CZ ARG A 26 16.613 -8.575 -13.006 1.00 0.00 C ATOM 426 NH1 ARG A 26 17.039 -9.828 -12.928 1.00 0.00 N ATOM 427 NH2 ARG A 26 17.489 -7.590 -13.165 1.00 0.00 N ATOM 0 H ARG A 26 11.162 -11.368 -9.937 1.00 0.00 H new ATOM 0 HA ARG A 26 11.904 -8.678 -9.788 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.732 -10.651 -11.282 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.430 -10.199 -12.364 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.451 -8.243 -13.019 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.215 -7.984 -11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.650 -10.093 -12.069 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.094 -9.813 -13.707 1.00 0.00 H new ATOM 0 HE ARG A 26 15.021 -7.329 -12.992 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.369 -10.588 -12.807 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.036 -10.032 -12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.165 -6.625 -13.227 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.486 -7.799 -13.226 1.00 0.00 H new ATOM 441 N ALA A 27 9.055 -9.234 -11.355 1.00 0.00 N ATOM 442 CA ALA A 27 7.845 -8.590 -11.852 1.00 0.00 C ATOM 443 C ALA A 27 7.250 -7.658 -10.802 1.00 0.00 C ATOM 444 O ALA A 27 6.744 -6.582 -11.127 1.00 0.00 O ATOM 445 CB ALA A 27 6.824 -9.636 -12.272 1.00 0.00 C ATOM 0 H ALA A 27 9.036 -10.253 -11.392 1.00 0.00 H new ATOM 0 HA ALA A 27 8.113 -7.991 -12.723 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.926 -9.140 -12.641 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.245 -10.259 -13.061 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.568 -10.259 -11.415 1.00 0.00 H new ATOM 451 N LEU A 28 7.312 -8.076 -9.543 1.00 0.00 N ATOM 452 CA LEU A 28 6.777 -7.279 -8.444 1.00 0.00 C ATOM 453 C LEU A 28 7.247 -5.831 -8.544 1.00 0.00 C ATOM 454 O LEU A 28 6.483 -4.902 -8.282 1.00 0.00 O ATOM 455 CB LEU A 28 7.204 -7.874 -7.101 1.00 0.00 C ATOM 456 CG LEU A 28 6.576 -7.244 -5.858 1.00 0.00 C ATOM 457 CD1 LEU A 28 5.074 -7.088 -6.039 1.00 0.00 C ATOM 458 CD2 LEU A 28 6.881 -8.080 -4.624 1.00 0.00 C ATOM 0 H LEU A 28 7.728 -8.963 -9.257 1.00 0.00 H new ATOM 0 HA LEU A 28 5.689 -7.295 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.965 -8.937 -7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.288 -7.791 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 28 7.010 -6.254 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.644 -6.638 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.876 -6.447 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.624 -8.067 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.426 -7.616 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.476 -9.083 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.960 -8.140 -4.483 1.00 0.00 H new ATOM 470 N GLU A 29 8.507 -5.647 -8.926 1.00 0.00 N ATOM 471 CA GLU A 29 9.076 -4.312 -9.061 1.00 0.00 C ATOM 472 C GLU A 29 8.900 -3.787 -10.483 1.00 0.00 C ATOM 473 O GLU A 29 8.499 -2.640 -10.688 1.00 0.00 O ATOM 474 CB GLU A 29 10.561 -4.327 -8.692 1.00 0.00 C ATOM 475 CG GLU A 29 10.864 -5.101 -7.419 1.00 0.00 C ATOM 476 CD GLU A 29 11.720 -4.312 -6.447 1.00 0.00 C ATOM 477 OE1 GLU A 29 12.621 -3.580 -6.908 1.00 0.00 O ATOM 478 OE2 GLU A 29 11.489 -4.428 -5.225 1.00 0.00 O ATOM 0 H GLU A 29 9.152 -6.405 -9.147 1.00 0.00 H new ATOM 0 HA GLU A 29 8.546 -3.648 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.127 -4.762 -9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.908 -3.300 -8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.928 -5.375 -6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.374 -6.030 -7.675 1.00 0.00 H new ATOM 485 N LEU A 30 9.203 -4.633 -11.461 1.00 0.00 N ATOM 486 CA LEU A 30 9.078 -4.255 -12.865 1.00 0.00 C ATOM 487 C LEU A 30 7.699 -3.672 -13.152 1.00 0.00 C ATOM 488 O LEU A 30 7.576 -2.526 -13.584 1.00 0.00 O ATOM 489 CB LEU A 30 9.329 -5.468 -13.764 1.00 0.00 C ATOM 490 CG LEU A 30 10.754 -6.021 -13.763 1.00 0.00 C ATOM 491 CD1 LEU A 30 10.887 -7.157 -14.765 1.00 0.00 C ATOM 492 CD2 LEU A 30 11.755 -4.917 -14.070 1.00 0.00 C ATOM 0 H LEU A 30 9.537 -5.585 -11.308 1.00 0.00 H new ATOM 0 HA LEU A 30 9.826 -3.491 -13.078 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.651 -6.266 -13.461 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.066 -5.198 -14.787 1.00 0.00 H new ATOM 0 HG LEU A 30 10.970 -6.414 -12.769 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.908 -7.538 -14.750 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.197 -7.958 -14.500 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.651 -6.790 -15.764 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.764 -5.329 -14.065 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.541 -4.494 -15.051 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.678 -4.136 -13.314 1.00 0.00 H new ATOM 504 N SER A 31 6.662 -4.468 -12.906 1.00 0.00 N ATOM 505 CA SER A 31 5.291 -4.031 -13.140 1.00 0.00 C ATOM 506 C SER A 31 5.006 -2.722 -12.409 1.00 0.00 C ATOM 507 O SER A 31 5.671 -2.367 -11.435 1.00 0.00 O ATOM 508 CB SER A 31 4.305 -5.108 -12.683 1.00 0.00 C ATOM 509 OG SER A 31 3.363 -4.581 -11.765 1.00 0.00 O ATOM 0 H SER A 31 6.746 -5.418 -12.545 1.00 0.00 H new ATOM 0 HA SER A 31 5.166 -3.865 -14.210 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.784 -5.519 -13.548 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.849 -5.930 -12.218 1.00 0.00 H new ATOM 0 HG SER A 31 3.403 -5.088 -10.927 1.00 0.00 H new ATOM 515 N PRO A 32 3.993 -1.985 -12.890 1.00 0.00 N ATOM 516 CA PRO A 32 3.596 -0.704 -12.298 1.00 0.00 C ATOM 517 C PRO A 32 2.951 -0.875 -10.927 1.00 0.00 C ATOM 518 O PRO A 32 3.321 -0.197 -9.967 1.00 0.00 O ATOM 519 CB PRO A 32 2.581 -0.150 -13.301 1.00 0.00 C ATOM 520 CG PRO A 32 2.031 -1.353 -13.987 1.00 0.00 C ATOM 521 CD PRO A 32 3.158 -2.347 -14.047 1.00 0.00 C ATOM 0 HA PRO A 32 4.451 -0.049 -12.130 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.795 0.413 -12.798 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.055 0.528 -14.010 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.181 -1.760 -13.440 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.677 -1.104 -14.987 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.794 -3.372 -13.975 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.712 -2.270 -14.982 1.00 0.00 H new ATOM 529 N TYR A 33 1.985 -1.783 -10.841 1.00 0.00 N ATOM 530 CA TYR A 33 1.287 -2.040 -9.587 1.00 0.00 C ATOM 531 C TYR A 33 1.779 -3.335 -8.946 1.00 0.00 C ATOM 532 O TYR A 33 1.940 -4.352 -9.620 1.00 0.00 O ATOM 533 CB TYR A 33 -0.222 -2.117 -9.825 1.00 0.00 C ATOM 534 CG TYR A 33 -0.673 -1.409 -11.083 1.00 0.00 C ATOM 535 CD1 TYR A 33 -0.563 -0.030 -11.205 1.00 0.00 C ATOM 536 CD2 TYR A 33 -1.209 -2.121 -12.149 1.00 0.00 C ATOM 537 CE1 TYR A 33 -0.974 0.621 -12.353 1.00 0.00 C ATOM 538 CE2 TYR A 33 -1.621 -1.479 -13.301 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.503 -0.108 -13.397 1.00 0.00 C ATOM 540 OH TYR A 33 -1.913 0.536 -14.542 1.00 0.00 O ATOM 0 H TYR A 33 1.668 -2.353 -11.625 1.00 0.00 H new ATOM 0 HA TYR A 33 1.499 -1.215 -8.907 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.520 -3.164 -9.881 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.739 -1.684 -8.969 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.149 0.544 -10.389 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.305 -3.194 -12.076 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.881 1.694 -12.432 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.033 -2.047 -14.122 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.260 -0.121 -15.181 1.00 0.00 H new ATOM 550 N ASP A 34 2.014 -3.288 -7.640 1.00 0.00 N ATOM 551 CA ASP A 34 2.485 -4.456 -6.905 1.00 0.00 C ATOM 552 C ASP A 34 1.500 -5.614 -7.036 1.00 0.00 C ATOM 553 O ASP A 34 0.506 -5.518 -7.755 1.00 0.00 O ATOM 554 CB ASP A 34 2.691 -4.109 -5.430 1.00 0.00 C ATOM 555 CG ASP A 34 3.345 -2.755 -5.239 1.00 0.00 C ATOM 556 OD1 ASP A 34 4.561 -2.642 -5.502 1.00 0.00 O ATOM 557 OD2 ASP A 34 2.643 -1.809 -4.827 1.00 0.00 O ATOM 0 H ASP A 34 1.886 -2.453 -7.068 1.00 0.00 H new ATOM 0 HA ASP A 34 3.439 -4.764 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.728 -4.119 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.308 -4.876 -4.962 1.00 0.00 H new ATOM 562 N PHE A 35 1.784 -6.707 -6.336 1.00 0.00 N ATOM 563 CA PHE A 35 0.924 -7.884 -6.375 1.00 0.00 C ATOM 564 C PHE A 35 1.223 -8.815 -5.203 1.00 0.00 C ATOM 565 O PHE A 35 2.382 -9.043 -4.855 1.00 0.00 O ATOM 566 CB PHE A 35 1.110 -8.634 -7.696 1.00 0.00 C ATOM 567 CG PHE A 35 2.326 -9.514 -7.720 1.00 0.00 C ATOM 568 CD1 PHE A 35 2.293 -10.780 -7.157 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.503 -9.076 -8.305 1.00 0.00 C ATOM 570 CE1 PHE A 35 3.411 -11.593 -7.178 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.624 -9.885 -8.329 1.00 0.00 C ATOM 572 CZ PHE A 35 4.578 -11.144 -7.764 1.00 0.00 C ATOM 0 H PHE A 35 2.603 -6.802 -5.735 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.111 -7.550 -6.297 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.227 -9.244 -7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.179 -7.911 -8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.383 -11.136 -6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.545 -8.092 -8.747 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.372 -12.578 -6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.535 -9.532 -8.789 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.453 -11.777 -7.780 1.00 0.00 H new ATOM 582 N THR A 36 0.168 -9.350 -4.596 1.00 0.00 N ATOM 583 CA THR A 36 0.315 -10.254 -3.463 1.00 0.00 C ATOM 584 C THR A 36 0.195 -11.709 -3.901 1.00 0.00 C ATOM 585 O THR A 36 -0.688 -12.061 -4.683 1.00 0.00 O ATOM 586 CB THR A 36 -0.739 -9.968 -2.376 1.00 0.00 C ATOM 587 OG1 THR A 36 -0.588 -10.892 -1.292 1.00 0.00 O ATOM 588 CG2 THR A 36 -2.146 -10.073 -2.946 1.00 0.00 C ATOM 0 H THR A 36 -0.798 -9.172 -4.871 1.00 0.00 H new ATOM 0 HA THR A 36 1.309 -10.083 -3.049 1.00 0.00 H new ATOM 0 HB THR A 36 -0.586 -8.952 -2.011 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.188 -10.637 -0.750 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.873 -9.867 -2.160 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.267 -9.349 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.307 -11.078 -3.335 1.00 0.00 H new ATOM 596 N ILE A 37 1.088 -12.551 -3.391 1.00 0.00 N ATOM 597 CA ILE A 37 1.081 -13.969 -3.729 1.00 0.00 C ATOM 598 C ILE A 37 -0.074 -14.691 -3.043 1.00 0.00 C ATOM 599 O ILE A 37 -0.380 -14.431 -1.880 1.00 0.00 O ATOM 600 CB ILE A 37 2.405 -14.649 -3.333 1.00 0.00 C ATOM 601 CG1 ILE A 37 3.533 -14.196 -4.261 1.00 0.00 C ATOM 602 CG2 ILE A 37 2.254 -16.162 -3.371 1.00 0.00 C ATOM 603 CD1 ILE A 37 3.517 -14.880 -5.611 1.00 0.00 C ATOM 0 H ILE A 37 1.825 -12.276 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 37 0.958 -14.036 -4.810 1.00 0.00 H new ATOM 0 HB ILE A 37 2.659 -14.355 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.461 -13.118 -4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.490 -14.388 -3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.198 -16.629 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.475 -16.468 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.981 -16.475 -4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.345 -14.510 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.620 -15.957 -5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.575 -14.667 -6.116 1.00 0.00 H new ATOM 615 N VAL A 38 -0.712 -15.601 -3.773 1.00 0.00 N ATOM 616 CA VAL A 38 -1.831 -16.365 -3.234 1.00 0.00 C ATOM 617 C VAL A 38 -1.434 -17.813 -2.973 1.00 0.00 C ATOM 618 O VAL A 38 -1.757 -18.376 -1.928 1.00 0.00 O ATOM 619 CB VAL A 38 -3.039 -16.339 -4.190 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.199 -17.131 -3.606 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.456 -14.905 -4.483 1.00 0.00 C ATOM 0 H VAL A 38 -0.473 -15.827 -4.739 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.112 -15.894 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.747 -16.807 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.043 -17.101 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.892 -18.166 -3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.494 -16.694 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.310 -14.906 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.731 -14.409 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.626 -14.372 -4.947 1.00 0.00 H new ATOM 631 N GLN A 39 -0.732 -18.410 -3.931 1.00 0.00 N ATOM 632 CA GLN A 39 -0.291 -19.794 -3.805 1.00 0.00 C ATOM 633 C GLN A 39 0.967 -20.042 -4.630 1.00 0.00 C ATOM 634 O GLN A 39 1.110 -19.520 -5.734 1.00 0.00 O ATOM 635 CB GLN A 39 -1.402 -20.748 -4.248 1.00 0.00 C ATOM 636 CG GLN A 39 -2.281 -21.231 -3.105 1.00 0.00 C ATOM 637 CD GLN A 39 -1.497 -21.968 -2.037 1.00 0.00 C ATOM 638 OE1 GLN A 39 -0.442 -22.540 -2.309 1.00 0.00 O ATOM 639 NE2 GLN A 39 -2.011 -21.958 -0.813 1.00 0.00 N ATOM 0 H GLN A 39 -0.457 -17.957 -4.802 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.058 -19.980 -2.757 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.026 -20.247 -4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.954 -21.611 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.787 -20.377 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.056 -21.888 -3.500 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.889 -21.471 -0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.528 -22.437 -0.053 1.00 0.00 H new ATOM 648 N GLY A 40 1.879 -20.842 -4.085 1.00 0.00 N ATOM 649 CA GLY A 40 3.114 -21.145 -4.784 1.00 0.00 C ATOM 650 C GLY A 40 3.353 -22.635 -4.920 1.00 0.00 C ATOM 651 O GLY A 40 3.491 -23.149 -6.030 1.00 0.00 O ATOM 0 H GLY A 40 1.784 -21.286 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.087 -20.693 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.950 -20.693 -4.250 1.00 0.00 H new ATOM 655 N ILE A 41 3.404 -23.331 -3.789 1.00 0.00 N ATOM 656 CA ILE A 41 3.628 -24.771 -3.788 1.00 0.00 C ATOM 657 C ILE A 41 2.618 -25.484 -2.895 1.00 0.00 C ATOM 658 O ILE A 41 2.075 -24.894 -1.961 1.00 0.00 O ATOM 659 CB ILE A 41 5.051 -25.118 -3.312 1.00 0.00 C ATOM 660 CG1 ILE A 41 5.602 -26.305 -4.105 1.00 0.00 C ATOM 661 CG2 ILE A 41 5.052 -25.424 -1.822 1.00 0.00 C ATOM 662 CD1 ILE A 41 5.820 -26.003 -5.572 1.00 0.00 C ATOM 0 H ILE A 41 3.293 -22.921 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 41 3.504 -25.111 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 41 5.696 -24.257 -3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.547 -26.620 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.912 -27.144 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.065 -25.667 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.696 -24.553 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.395 -26.271 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.212 -26.889 -6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.873 -25.717 -6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.533 -25.185 -5.673 1.00 0.00 H new ATOM 674 N ARG A 42 2.372 -26.756 -3.189 1.00 0.00 N ATOM 675 CA ARG A 42 1.428 -27.551 -2.412 1.00 0.00 C ATOM 676 C ARG A 42 2.141 -28.301 -1.291 1.00 0.00 C ATOM 677 O ARG A 42 3.266 -28.772 -1.461 1.00 0.00 O ATOM 678 CB ARG A 42 0.696 -28.542 -3.319 1.00 0.00 C ATOM 679 CG ARG A 42 -0.558 -27.971 -3.959 1.00 0.00 C ATOM 680 CD ARG A 42 -1.646 -29.026 -4.090 1.00 0.00 C ATOM 681 NE ARG A 42 -2.837 -28.504 -4.756 1.00 0.00 N ATOM 682 CZ ARG A 42 -3.856 -29.264 -5.141 1.00 0.00 C ATOM 683 NH1 ARG A 42 -3.830 -30.572 -4.927 1.00 0.00 N ATOM 684 NH2 ARG A 42 -4.905 -28.716 -5.741 1.00 0.00 N ATOM 0 H ARG A 42 2.813 -27.259 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 42 0.701 -26.872 -1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.376 -28.873 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.427 -29.424 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.927 -27.139 -3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.316 -27.572 -4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.260 -29.877 -4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.916 -29.393 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.889 -27.501 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.026 -30.997 -4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.614 -31.153 -5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.930 -27.710 -5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.687 -29.301 -6.036 1.00 0.00 H new ATOM 1035 N HIS A 66 0.128 -26.553 -9.422 1.00 0.00 N ATOM 1036 CA HIS A 66 0.952 -26.405 -8.227 1.00 0.00 C ATOM 1037 C HIS A 66 1.488 -27.757 -7.766 1.00 0.00 C ATOM 1038 O HIS A 66 2.488 -27.827 -7.050 1.00 0.00 O ATOM 1039 CB HIS A 66 0.145 -25.753 -7.103 1.00 0.00 C ATOM 1040 CG HIS A 66 -0.305 -24.360 -7.419 1.00 0.00 C ATOM 1041 ND1 HIS A 66 0.111 -23.255 -6.707 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -1.139 -23.895 -8.378 1.00 0.00 C ATOM 1043 CE1 HIS A 66 -0.448 -22.171 -7.214 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -1.212 -22.532 -8.229 1.00 0.00 N ATOM 0 HA HIS A 66 1.798 -25.764 -8.476 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.729 -26.369 -6.890 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.750 -25.734 -6.197 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.751 -23.272 -5.913 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.652 -24.486 -9.122 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.305 -21.161 -6.859 1.00 0.00 H new ATOM 1052 N ILE A 67 0.818 -28.826 -8.181 1.00 0.00 N ATOM 1053 CA ILE A 67 1.228 -30.175 -7.810 1.00 0.00 C ATOM 1054 C ILE A 67 2.688 -30.425 -8.174 1.00 0.00 C ATOM 1055 O ILE A 67 3.439 -31.021 -7.401 1.00 0.00 O ATOM 1056 CB ILE A 67 0.350 -31.239 -8.496 1.00 0.00 C ATOM 1057 CG1 ILE A 67 -1.111 -30.786 -8.523 1.00 0.00 C ATOM 1058 CG2 ILE A 67 0.483 -32.576 -7.782 1.00 0.00 C ATOM 1059 CD1 ILE A 67 -1.642 -30.379 -7.166 1.00 0.00 C ATOM 0 H ILE A 67 -0.011 -28.785 -8.774 1.00 0.00 H new ATOM 0 HA ILE A 67 1.106 -30.256 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 67 0.691 -31.363 -9.524 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.210 -29.946 -9.210 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.727 -31.594 -8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.143 -33.317 -8.278 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.523 -32.902 -7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.165 -32.468 -6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.683 -30.070 -7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.575 -31.224 -6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.051 -29.550 -6.778 1.00 0.00 H new ATOM 1071 N THR A 68 3.085 -29.964 -9.356 1.00 0.00 N ATOM 1072 CA THR A 68 4.455 -30.137 -9.823 1.00 0.00 C ATOM 1073 C THR A 68 5.281 -28.879 -9.580 1.00 0.00 C ATOM 1074 O THR A 68 6.446 -28.806 -9.966 1.00 0.00 O ATOM 1075 CB THR A 68 4.498 -30.484 -11.323 1.00 0.00 C ATOM 1076 OG1 THR A 68 5.855 -30.523 -11.778 1.00 0.00 O ATOM 1077 CG2 THR A 68 3.714 -29.466 -12.137 1.00 0.00 C ATOM 0 H THR A 68 2.477 -29.468 -10.008 1.00 0.00 H new ATOM 0 HA THR A 68 4.881 -30.964 -9.254 1.00 0.00 H new ATOM 0 HB THR A 68 4.041 -31.464 -11.460 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.441 -30.141 -11.092 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.759 -29.732 -13.193 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.675 -29.460 -11.808 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.146 -28.475 -11.994 1.00 0.00 H new ATOM 1085 N GLY A 69 4.669 -27.890 -8.936 1.00 0.00 N ATOM 1086 CA GLY A 69 5.364 -26.648 -8.652 1.00 0.00 C ATOM 1087 C GLY A 69 5.808 -25.931 -9.912 1.00 0.00 C ATOM 1088 O GLY A 69 6.727 -25.112 -9.877 1.00 0.00 O ATOM 0 H GLY A 69 3.705 -27.927 -8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.710 -25.993 -8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.235 -26.856 -8.030 1.00 0.00 H new ATOM 1092 N ASP A 70 5.157 -26.241 -11.028 1.00 0.00 N ATOM 1093 CA ASP A 70 5.491 -25.621 -12.305 1.00 0.00 C ATOM 1094 C ASP A 70 4.570 -24.439 -12.592 1.00 0.00 C ATOM 1095 O ASP A 70 4.406 -24.032 -13.742 1.00 0.00 O ATOM 1096 CB ASP A 70 5.392 -26.647 -13.435 1.00 0.00 C ATOM 1097 CG ASP A 70 6.516 -26.507 -14.443 1.00 0.00 C ATOM 1098 OD1 ASP A 70 7.670 -26.287 -14.019 1.00 0.00 O ATOM 1099 OD2 ASP A 70 6.242 -26.618 -15.656 1.00 0.00 O ATOM 0 H ASP A 70 4.395 -26.918 -11.074 1.00 0.00 H new ATOM 0 HA ASP A 70 6.516 -25.254 -12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.410 -27.652 -13.012 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.435 -26.532 -13.944 1.00 0.00 H new ATOM 1104 N ALA A 71 3.970 -23.893 -11.540 1.00 0.00 N ATOM 1105 CA ALA A 71 3.066 -22.758 -11.679 1.00 0.00 C ATOM 1106 C ALA A 71 2.718 -22.163 -10.319 1.00 0.00 C ATOM 1107 O ALA A 71 2.893 -22.810 -9.285 1.00 0.00 O ATOM 1108 CB ALA A 71 1.801 -23.177 -12.414 1.00 0.00 C ATOM 0 H ALA A 71 4.094 -24.218 -10.581 1.00 0.00 H new ATOM 0 HA ALA A 71 3.574 -21.990 -12.262 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.135 -22.319 -12.510 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.062 -23.547 -13.405 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.298 -23.965 -11.853 1.00 0.00 H new ATOM 1114 N ILE A 72 2.225 -20.930 -10.327 1.00 0.00 N ATOM 1115 CA ILE A 72 1.851 -20.249 -9.093 1.00 0.00 C ATOM 1116 C ILE A 72 0.725 -19.250 -9.335 1.00 0.00 C ATOM 1117 O ILE A 72 0.481 -18.837 -10.469 1.00 0.00 O ATOM 1118 CB ILE A 72 3.052 -19.512 -8.471 1.00 0.00 C ATOM 1119 CG1 ILE A 72 3.574 -18.441 -9.432 1.00 0.00 C ATOM 1120 CG2 ILE A 72 4.155 -20.498 -8.119 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.942 -17.083 -9.225 1.00 0.00 C ATOM 0 H ILE A 72 2.075 -20.382 -11.174 1.00 0.00 H new ATOM 0 HA ILE A 72 1.508 -21.017 -8.400 1.00 0.00 H new ATOM 0 HB ILE A 72 2.724 -19.023 -7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.654 -18.352 -9.312 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.393 -18.765 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.996 -19.961 -7.681 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.776 -21.227 -7.402 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.484 -21.013 -9.021 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.360 -16.374 -9.940 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.865 -17.157 -9.374 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.145 -16.738 -8.211 1.00 0.00 H new ATOM 1133 N ASP A 73 0.044 -18.863 -8.262 1.00 0.00 N ATOM 1134 CA ASP A 73 -1.055 -17.909 -8.357 1.00 0.00 C ATOM 1135 C ASP A 73 -0.731 -16.629 -7.594 1.00 0.00 C ATOM 1136 O ASP A 73 -0.091 -16.666 -6.543 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.344 -18.528 -7.815 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.582 -17.786 -8.278 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -3.694 -16.578 -7.984 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -4.440 -18.414 -8.934 1.00 0.00 O ATOM 0 H ASP A 73 0.234 -19.195 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.196 -17.658 -9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.407 -19.568 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.312 -18.531 -6.725 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.174 -15.497 -8.132 1.00 0.00 N ATOM 1146 CA PHE A 74 -0.929 -14.205 -7.503 1.00 0.00 C ATOM 1147 C PHE A 74 -2.136 -13.285 -7.663 1.00 0.00 C ATOM 1148 O PHE A 74 -3.105 -13.627 -8.339 1.00 0.00 O ATOM 1149 CB PHE A 74 0.312 -13.547 -8.108 1.00 0.00 C ATOM 1150 CG PHE A 74 0.052 -12.872 -9.424 1.00 0.00 C ATOM 1151 CD1 PHE A 74 -0.350 -11.547 -9.472 1.00 0.00 C ATOM 1152 CD2 PHE A 74 0.209 -13.564 -10.615 1.00 0.00 C ATOM 1153 CE1 PHE A 74 -0.591 -10.925 -10.682 1.00 0.00 C ATOM 1154 CE2 PHE A 74 -0.030 -12.947 -11.828 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.430 -11.625 -11.862 1.00 0.00 C ATOM 0 H PHE A 74 -1.704 -15.449 -9.002 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.761 -14.373 -6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.704 -12.813 -7.404 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.085 -14.304 -8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.476 -10.994 -8.553 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.522 -14.598 -10.594 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.905 -9.892 -10.705 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.096 -13.498 -12.749 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.616 -11.140 -12.809 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.068 -12.115 -7.035 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.153 -11.145 -7.108 1.00 0.00 C ATOM 1167 C ALA A 75 -2.616 -9.738 -7.350 1.00 0.00 C ATOM 1168 O ALA A 75 -1.655 -9.297 -6.719 1.00 0.00 O ATOM 1169 CB ALA A 75 -3.983 -11.183 -5.833 1.00 0.00 C ATOM 0 H ALA A 75 -1.273 -11.817 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.790 -11.413 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.790 -10.453 -5.902 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.405 -12.179 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.349 -10.944 -4.979 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.249 -9.015 -8.286 1.00 0.00 N ATOM 1176 CA PRO A 76 -2.852 -7.647 -8.632 1.00 0.00 C ATOM 1177 C PRO A 76 -3.159 -6.654 -7.517 1.00 0.00 C ATOM 1178 O PRO A 76 -4.320 -6.428 -7.177 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.694 -7.336 -9.872 1.00 0.00 C ATOM 1180 CG PRO A 76 -4.885 -8.223 -9.753 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.402 -9.477 -9.077 1.00 0.00 C ATOM 0 HA PRO A 76 -1.778 -7.564 -8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.984 -6.286 -9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.139 -7.539 -10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.672 -7.744 -9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.305 -8.446 -10.734 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.174 -9.915 -8.444 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.113 -10.238 -9.801 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.112 -6.063 -6.952 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.270 -5.095 -5.873 1.00 0.00 C ATOM 1191 C TYR A 77 -2.353 -3.675 -6.424 1.00 0.00 C ATOM 1192 O TYR A 77 -1.525 -3.263 -7.237 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.106 -5.205 -4.887 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.544 -5.312 -3.443 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -2.032 -6.508 -2.931 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -1.469 -4.217 -2.591 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -2.433 -6.610 -1.614 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -1.867 -4.310 -1.272 1.00 0.00 C ATOM 1199 CZ TYR A 77 -2.349 -5.508 -0.788 1.00 0.00 C ATOM 1200 OH TYR A 77 -2.747 -5.606 0.526 1.00 0.00 O ATOM 0 H TYR A 77 -1.144 -6.237 -7.223 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.201 -5.318 -5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.506 -6.079 -5.142 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.462 -4.333 -4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.099 -7.373 -3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.093 -3.277 -2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.810 -7.547 -1.232 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.801 -3.449 -0.623 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.623 -4.742 0.971 1.00 0.00 H new ATOM 1210 N ILE A 78 -3.358 -2.931 -5.974 1.00 0.00 N ATOM 1211 CA ILE A 78 -3.549 -1.556 -6.420 1.00 0.00 C ATOM 1212 C ILE A 78 -4.149 -0.698 -5.311 1.00 0.00 C ATOM 1213 O ILE A 78 -5.019 -1.147 -4.567 1.00 0.00 O ATOM 1214 CB ILE A 78 -4.462 -1.487 -7.658 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -3.756 -2.093 -8.873 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -4.868 -0.048 -7.937 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -4.068 -3.558 -9.085 1.00 0.00 C ATOM 0 H ILE A 78 -4.052 -3.257 -5.301 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.564 -1.170 -6.684 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.364 -2.066 -7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.043 -1.536 -9.765 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.679 -1.973 -8.755 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.513 -0.016 -8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.405 0.352 -7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.977 0.553 -8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.534 -3.920 -9.963 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.755 -4.127 -8.209 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.140 -3.684 -9.235 1.00 0.00 H new ATOM 1229 N ASN A 79 -3.677 0.541 -5.209 1.00 0.00 N ATOM 1230 CA ASN A 79 -4.168 1.464 -4.192 1.00 0.00 C ATOM 1231 C ASN A 79 -3.935 0.905 -2.792 1.00 0.00 C ATOM 1232 O ASN A 79 -4.726 1.139 -1.879 1.00 0.00 O ATOM 1233 CB ASN A 79 -5.658 1.741 -4.402 1.00 0.00 C ATOM 1234 CG ASN A 79 -5.904 2.858 -5.397 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -5.178 2.831 -6.508 1.00 0.00 O flip ATOM 1236 ND2 ASN A 79 -6.738 3.736 -5.168 1.00 0.00 N flip ATOM 0 H ASN A 79 -2.956 0.928 -5.818 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.615 2.398 -4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.148 0.832 -4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.114 2.002 -3.447 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.274 3.717 -4.300 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.893 4.482 -5.846 1.00 0.00 H new ATOM 1243 N GLY A 80 -2.843 0.163 -2.630 1.00 0.00 N ATOM 1244 CA GLY A 80 -2.525 -0.417 -1.339 1.00 0.00 C ATOM 1245 C GLY A 80 -3.530 -1.470 -0.913 1.00 0.00 C ATOM 1246 O GLY A 80 -3.625 -1.807 0.267 1.00 0.00 O ATOM 0 H GLY A 80 -2.173 -0.046 -3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.531 -0.863 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.490 0.372 -0.588 1.00 0.00 H new ATOM 1250 N LYS A 81 -4.283 -1.990 -1.876 1.00 0.00 N ATOM 1251 CA LYS A 81 -5.287 -3.010 -1.596 1.00 0.00 C ATOM 1252 C LYS A 81 -5.438 -3.963 -2.777 1.00 0.00 C ATOM 1253 O LYS A 81 -5.054 -3.639 -3.902 1.00 0.00 O ATOM 1254 CB LYS A 81 -6.633 -2.356 -1.279 1.00 0.00 C ATOM 1255 CG LYS A 81 -6.777 -1.933 0.172 1.00 0.00 C ATOM 1256 CD LYS A 81 -7.019 -0.438 0.296 1.00 0.00 C ATOM 1257 CE LYS A 81 -8.356 -0.037 -0.308 1.00 0.00 C ATOM 1258 NZ LYS A 81 -8.905 1.193 0.326 1.00 0.00 N ATOM 0 H LYS A 81 -4.217 -1.722 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.956 -3.583 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.762 -1.482 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.433 -3.053 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.604 -2.476 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.876 -2.203 0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.993 -0.150 1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.216 0.104 -0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.236 0.129 -1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.067 -0.855 -0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.817 1.433 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.044 1.027 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.238 1.980 0.192 1.00 0.00 H new ATOM 1272 N ILE A 82 -6.000 -5.138 -2.515 1.00 0.00 N ATOM 1273 CA ILE A 82 -6.204 -6.136 -3.558 1.00 0.00 C ATOM 1274 C ILE A 82 -7.246 -5.670 -4.569 1.00 0.00 C ATOM 1275 O ILE A 82 -8.335 -5.234 -4.197 1.00 0.00 O ATOM 1276 CB ILE A 82 -6.648 -7.487 -2.965 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -5.780 -7.848 -1.757 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -6.575 -8.579 -4.022 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -6.521 -7.783 -0.440 1.00 0.00 C ATOM 0 H ILE A 82 -6.322 -5.422 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.246 -6.267 -4.062 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.682 -7.399 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.384 -8.854 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.926 -7.172 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.892 -9.527 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.231 -8.324 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.550 -8.669 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.845 -8.051 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.894 -6.771 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.359 -8.480 -0.459 1.00 0.00 H new ATOM 1291 N ASP A 83 -6.904 -5.767 -5.849 1.00 0.00 N ATOM 1292 CA ASP A 83 -7.812 -5.359 -6.915 1.00 0.00 C ATOM 1293 C ASP A 83 -8.355 -6.573 -7.662 1.00 0.00 C ATOM 1294 O ASP A 83 -7.759 -7.032 -8.636 1.00 0.00 O ATOM 1295 CB ASP A 83 -7.097 -4.422 -7.891 1.00 0.00 C ATOM 1296 CG ASP A 83 -7.621 -3.001 -7.819 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -8.168 -2.623 -6.761 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -7.483 -2.267 -8.819 1.00 0.00 O ATOM 0 H ASP A 83 -6.005 -6.124 -6.174 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.650 -4.830 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.029 -4.424 -7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.217 -4.799 -8.906 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.487 -7.088 -7.197 1.00 0.00 N ATOM 1304 CA TRP A 84 -10.110 -8.250 -7.821 1.00 0.00 C ATOM 1305 C TRP A 84 -11.253 -7.829 -8.738 1.00 0.00 C ATOM 1306 O TRP A 84 -11.688 -8.596 -9.595 1.00 0.00 O ATOM 1307 CB TRP A 84 -10.627 -9.213 -6.750 1.00 0.00 C ATOM 1308 CG TRP A 84 -9.589 -10.182 -6.271 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -9.086 -10.285 -5.006 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -8.926 -11.182 -7.052 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -8.150 -11.290 -4.953 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -8.034 -11.856 -6.194 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -9.000 -11.576 -8.390 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.223 -12.899 -6.634 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.194 -12.611 -8.826 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.316 -13.264 -7.950 1.00 0.00 C ATOM 0 H TRP A 84 -9.992 -6.720 -6.391 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.355 -8.757 -8.422 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -10.995 -8.637 -5.901 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.475 -9.769 -7.150 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.380 -9.668 -4.170 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.626 -11.569 -4.123 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.675 -11.081 -9.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.545 -13.402 -5.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.242 -12.922 -9.859 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.701 -14.071 -8.321 1.00 0.00 H new ATOM 1327 N ASN A 85 -11.736 -6.605 -8.551 1.00 0.00 N ATOM 1328 CA ASN A 85 -12.829 -6.082 -9.362 1.00 0.00 C ATOM 1329 C ASN A 85 -12.308 -5.106 -10.413 1.00 0.00 C ATOM 1330 O ASN A 85 -13.082 -4.534 -11.181 1.00 0.00 O ATOM 1331 CB ASN A 85 -13.864 -5.389 -8.474 1.00 0.00 C ATOM 1332 CG ASN A 85 -14.758 -6.376 -7.749 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -14.285 -7.373 -7.202 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -16.057 -6.103 -7.741 1.00 0.00 N ATOM 0 H ASN A 85 -11.387 -5.957 -7.845 1.00 0.00 H new ATOM 0 HA ASN A 85 -13.302 -6.920 -9.874 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.351 -4.763 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.478 -4.728 -9.085 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.707 -6.731 -7.269 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -16.405 -5.265 -8.207 1.00 0.00 H new ATOM 1341 N ASP A 86 -10.993 -4.921 -10.440 1.00 0.00 N ATOM 1342 CA ASP A 86 -10.368 -4.016 -11.398 1.00 0.00 C ATOM 1343 C ASP A 86 -9.413 -4.771 -12.317 1.00 0.00 C ATOM 1344 O ASP A 86 -8.196 -4.728 -12.135 1.00 0.00 O ATOM 1345 CB ASP A 86 -9.617 -2.903 -10.664 1.00 0.00 C ATOM 1346 CG ASP A 86 -10.422 -1.622 -10.576 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -11.644 -1.705 -10.330 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -9.831 -0.536 -10.752 1.00 0.00 O ATOM 0 H ASP A 86 -10.339 -5.385 -9.810 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.155 -3.572 -12.008 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.365 -3.240 -9.659 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.677 -2.703 -11.178 1.00 0.00 H new ATOM 1353 N LEU A 87 -9.973 -5.464 -13.302 1.00 0.00 N ATOM 1354 CA LEU A 87 -9.172 -6.230 -14.250 1.00 0.00 C ATOM 1355 C LEU A 87 -8.317 -5.307 -15.113 1.00 0.00 C ATOM 1356 O LEU A 87 -7.308 -5.728 -15.677 1.00 0.00 O ATOM 1357 CB LEU A 87 -10.076 -7.085 -15.139 1.00 0.00 C ATOM 1358 CG LEU A 87 -11.004 -6.321 -16.085 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -11.130 -7.050 -17.413 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -12.372 -6.127 -15.448 1.00 0.00 C ATOM 0 H LEU A 87 -10.979 -5.511 -13.465 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.509 -6.883 -13.682 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.446 -7.745 -15.735 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.687 -7.720 -14.498 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.571 -5.339 -16.274 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.794 -6.492 -18.073 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.147 -7.136 -17.876 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.540 -8.046 -17.244 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.019 -5.582 -16.135 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.813 -7.100 -15.229 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.266 -5.560 -14.523 1.00 0.00 H new ATOM 1372 N GLU A 88 -8.729 -4.046 -15.208 1.00 0.00 N ATOM 1373 CA GLU A 88 -7.999 -3.064 -16.001 1.00 0.00 C ATOM 1374 C GLU A 88 -6.523 -3.041 -15.616 1.00 0.00 C ATOM 1375 O GLU A 88 -5.653 -3.337 -16.434 1.00 0.00 O ATOM 1376 CB GLU A 88 -8.608 -1.672 -15.815 1.00 0.00 C ATOM 1377 CG GLU A 88 -7.913 -0.591 -16.625 1.00 0.00 C ATOM 1378 CD GLU A 88 -7.992 -0.839 -18.119 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -9.075 -0.620 -18.700 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -6.971 -1.254 -18.707 1.00 0.00 O ATOM 0 H GLU A 88 -9.562 -3.682 -14.747 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.078 -3.351 -17.050 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.661 -1.705 -16.096 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.568 -1.405 -14.759 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.364 0.375 -16.397 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.867 -0.534 -16.325 1.00 0.00 H new ATOM 1387 N ALA A 89 -6.250 -2.686 -14.365 1.00 0.00 N ATOM 1388 CA ALA A 89 -4.880 -2.626 -13.870 1.00 0.00 C ATOM 1389 C ALA A 89 -4.248 -4.013 -13.832 1.00 0.00 C ATOM 1390 O ALA A 89 -3.025 -4.150 -13.852 1.00 0.00 O ATOM 1391 CB ALA A 89 -4.846 -1.991 -12.488 1.00 0.00 C ATOM 0 H ALA A 89 -6.959 -2.436 -13.676 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.299 -2.010 -14.556 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.817 -1.953 -12.130 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.249 -0.980 -12.542 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.447 -2.585 -11.800 1.00 0.00 H new ATOM 1397 N PHE A 90 -5.090 -5.040 -13.777 1.00 0.00 N ATOM 1398 CA PHE A 90 -4.613 -6.418 -13.734 1.00 0.00 C ATOM 1399 C PHE A 90 -3.984 -6.817 -15.065 1.00 0.00 C ATOM 1400 O PHE A 90 -3.071 -7.642 -15.110 1.00 0.00 O ATOM 1401 CB PHE A 90 -5.764 -7.368 -13.396 1.00 0.00 C ATOM 1402 CG PHE A 90 -5.370 -8.817 -13.415 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -4.140 -9.221 -12.920 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -6.230 -9.776 -13.926 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -3.775 -10.554 -12.937 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -5.870 -11.111 -13.945 1.00 0.00 C ATOM 1407 CZ PHE A 90 -4.642 -11.500 -13.448 1.00 0.00 C ATOM 0 H PHE A 90 -6.105 -4.944 -13.761 1.00 0.00 H new ATOM 0 HA PHE A 90 -3.852 -6.489 -12.957 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.153 -7.118 -12.409 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.575 -7.211 -14.107 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.459 -8.486 -12.517 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.193 -9.477 -14.314 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.813 -10.856 -12.551 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.548 -11.848 -14.348 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.360 -12.542 -13.459 1.00 0.00 H new ATOM 1417 N TRP A 91 -4.478 -6.226 -16.147 1.00 0.00 N ATOM 1418 CA TRP A 91 -3.965 -6.520 -17.480 1.00 0.00 C ATOM 1419 C TRP A 91 -2.601 -5.875 -17.693 1.00 0.00 C ATOM 1420 O TRP A 91 -1.754 -6.412 -18.407 1.00 0.00 O ATOM 1421 CB TRP A 91 -4.947 -6.031 -18.546 1.00 0.00 C ATOM 1422 CG TRP A 91 -5.979 -7.052 -18.918 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -6.701 -7.835 -18.063 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -6.402 -7.402 -20.240 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -7.548 -8.651 -18.775 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -7.384 -8.403 -20.112 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -6.048 -6.965 -21.519 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -8.013 -8.974 -21.216 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -6.673 -7.532 -22.614 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -7.647 -8.527 -22.456 1.00 0.00 C ATOM 0 H TRP A 91 -5.233 -5.540 -16.127 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.852 -7.601 -17.569 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.449 -5.134 -18.183 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.390 -5.746 -19.439 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -6.619 -7.816 -16.986 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -8.194 -9.331 -18.373 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -5.299 -6.198 -21.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.763 -9.742 -21.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -6.406 -7.203 -23.607 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -8.118 -8.950 -23.331 1.00 0.00 H new ATOM 1441 N ALA A 92 -2.394 -4.719 -17.070 1.00 0.00 N ATOM 1442 CA ALA A 92 -1.130 -4.002 -17.190 1.00 0.00 C ATOM 1443 C ALA A 92 0.002 -4.768 -16.513 1.00 0.00 C ATOM 1444 O ALA A 92 1.080 -4.934 -17.084 1.00 0.00 O ATOM 1445 CB ALA A 92 -1.257 -2.608 -16.594 1.00 0.00 C ATOM 0 H ALA A 92 -3.085 -4.259 -16.477 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.890 -3.912 -18.249 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.306 -2.083 -16.690 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.032 -2.055 -17.124 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.524 -2.686 -15.540 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.250 -5.231 -15.293 1.00 0.00 N ATOM 1452 CA VAL A 93 0.749 -5.980 -14.539 1.00 0.00 C ATOM 1453 C VAL A 93 1.013 -7.340 -15.176 1.00 0.00 C ATOM 1454 O VAL A 93 2.105 -7.894 -15.054 1.00 0.00 O ATOM 1455 CB VAL A 93 0.310 -6.186 -13.077 1.00 0.00 C ATOM 1456 CG1 VAL A 93 -1.086 -6.787 -13.019 1.00 0.00 C ATOM 1457 CG2 VAL A 93 1.309 -7.065 -12.340 1.00 0.00 C ATOM 0 H VAL A 93 -1.137 -5.101 -14.806 1.00 0.00 H new ATOM 0 HA VAL A 93 1.666 -5.391 -14.556 1.00 0.00 H new ATOM 0 HB VAL A 93 0.282 -5.215 -12.583 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.380 -6.926 -11.978 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.792 -6.116 -13.509 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.089 -7.751 -13.528 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.983 -7.200 -11.309 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.371 -8.036 -12.831 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.290 -6.590 -12.351 1.00 0.00 H new ATOM 1467 N LYS A 94 0.004 -7.873 -15.857 1.00 0.00 N ATOM 1468 CA LYS A 94 0.126 -9.168 -16.515 1.00 0.00 C ATOM 1469 C LYS A 94 1.201 -9.130 -17.596 1.00 0.00 C ATOM 1470 O LYS A 94 1.851 -10.138 -17.877 1.00 0.00 O ATOM 1471 CB LYS A 94 -1.215 -9.579 -17.129 1.00 0.00 C ATOM 1472 CG LYS A 94 -1.148 -10.871 -17.926 1.00 0.00 C ATOM 1473 CD LYS A 94 -2.459 -11.153 -18.640 1.00 0.00 C ATOM 1474 CE LYS A 94 -3.021 -12.514 -18.256 1.00 0.00 C ATOM 1475 NZ LYS A 94 -4.507 -12.491 -18.153 1.00 0.00 N ATOM 0 H LYS A 94 -0.907 -7.428 -15.967 1.00 0.00 H new ATOM 0 HA LYS A 94 0.416 -9.903 -15.764 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.951 -9.691 -16.333 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.568 -8.779 -17.779 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.341 -10.808 -18.656 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.910 -11.699 -17.259 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.183 -10.376 -18.394 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.303 -11.113 -19.718 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.720 -13.254 -18.998 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.596 -12.827 -17.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.851 -13.436 -17.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.794 -11.803 -17.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.914 -12.217 -19.070 1.00 0.00 H new ATOM 1489 N LYS A 95 1.386 -7.961 -18.199 1.00 0.00 N ATOM 1490 CA LYS A 95 2.385 -7.790 -19.248 1.00 0.00 C ATOM 1491 C LYS A 95 3.796 -7.840 -18.669 1.00 0.00 C ATOM 1492 O LYS A 95 4.743 -8.232 -19.350 1.00 0.00 O ATOM 1493 CB LYS A 95 2.168 -6.461 -19.975 1.00 0.00 C ATOM 1494 CG LYS A 95 3.194 -6.188 -21.062 1.00 0.00 C ATOM 1495 CD LYS A 95 2.766 -5.036 -21.956 1.00 0.00 C ATOM 1496 CE LYS A 95 3.749 -4.821 -23.096 1.00 0.00 C ATOM 1497 NZ LYS A 95 4.871 -3.926 -22.700 1.00 0.00 N ATOM 0 H LYS A 95 0.857 -7.117 -17.979 1.00 0.00 H new ATOM 0 HA LYS A 95 2.273 -8.609 -19.959 1.00 0.00 H new ATOM 0 HB2 LYS A 95 1.172 -6.457 -20.418 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.197 -5.650 -19.248 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.157 -5.957 -20.605 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.334 -7.085 -21.665 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.775 -5.238 -22.362 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.688 -4.124 -21.364 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.148 -5.783 -23.418 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.226 -4.391 -23.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.519 -3.805 -23.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.493 -2.999 -22.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.386 -4.348 -21.901 1.00 0.00 H new ATOM 1511 N ALA A 96 3.927 -7.442 -17.408 1.00 0.00 N ATOM 1512 CA ALA A 96 5.221 -7.446 -16.737 1.00 0.00 C ATOM 1513 C ALA A 96 5.703 -8.870 -16.482 1.00 0.00 C ATOM 1514 O ALA A 96 6.904 -9.141 -16.496 1.00 0.00 O ATOM 1515 CB ALA A 96 5.140 -6.672 -15.429 1.00 0.00 C ATOM 0 H ALA A 96 3.153 -7.113 -16.831 1.00 0.00 H new ATOM 0 HA ALA A 96 5.943 -6.958 -17.391 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.113 -6.683 -14.939 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.849 -5.642 -15.633 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.400 -7.136 -14.777 1.00 0.00 H new ATOM 1521 N PHE A 97 4.760 -9.776 -16.248 1.00 0.00 N ATOM 1522 CA PHE A 97 5.089 -11.173 -15.988 1.00 0.00 C ATOM 1523 C PHE A 97 5.616 -11.852 -17.249 1.00 0.00 C ATOM 1524 O PHE A 97 6.676 -12.477 -17.233 1.00 0.00 O ATOM 1525 CB PHE A 97 3.859 -11.920 -15.468 1.00 0.00 C ATOM 1526 CG PHE A 97 3.882 -12.154 -13.985 1.00 0.00 C ATOM 1527 CD1 PHE A 97 3.497 -11.154 -13.107 1.00 0.00 C ATOM 1528 CD2 PHE A 97 4.288 -13.374 -13.469 1.00 0.00 C ATOM 1529 CE1 PHE A 97 3.518 -11.366 -11.741 1.00 0.00 C ATOM 1530 CE2 PHE A 97 4.310 -13.593 -12.104 1.00 0.00 C ATOM 1531 CZ PHE A 97 3.924 -12.587 -11.239 1.00 0.00 C ATOM 0 H PHE A 97 3.762 -9.568 -16.233 1.00 0.00 H new ATOM 0 HA PHE A 97 5.870 -11.201 -15.229 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.964 -11.353 -15.724 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.785 -12.880 -15.978 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.177 -10.198 -13.494 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.591 -14.163 -14.141 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.217 -10.578 -11.067 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.628 -14.549 -11.715 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.940 -12.755 -10.172 1.00 0.00 H new ATOM 1541 N GLU A 98 4.867 -11.723 -18.340 1.00 0.00 N ATOM 1542 CA GLU A 98 5.258 -12.325 -19.609 1.00 0.00 C ATOM 1543 C GLU A 98 6.509 -11.654 -20.167 1.00 0.00 C ATOM 1544 O GLU A 98 7.325 -12.294 -20.830 1.00 0.00 O ATOM 1545 CB GLU A 98 4.115 -12.221 -20.621 1.00 0.00 C ATOM 1546 CG GLU A 98 3.532 -10.823 -20.740 1.00 0.00 C ATOM 1547 CD GLU A 98 2.917 -10.561 -22.101 1.00 0.00 C ATOM 1548 OE1 GLU A 98 2.211 -11.454 -22.614 1.00 0.00 O ATOM 1549 OE2 GLU A 98 3.142 -9.463 -22.653 1.00 0.00 O ATOM 0 H GLU A 98 3.987 -11.208 -18.370 1.00 0.00 H new ATOM 0 HA GLU A 98 5.481 -13.377 -19.430 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.477 -12.539 -21.599 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.323 -12.913 -20.334 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.774 -10.683 -19.970 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.316 -10.089 -20.552 1.00 0.00 H new ATOM 1556 N GLN A 99 6.652 -10.361 -19.894 1.00 0.00 N ATOM 1557 CA GLN A 99 7.803 -9.603 -20.370 1.00 0.00 C ATOM 1558 C GLN A 99 9.043 -9.918 -19.541 1.00 0.00 C ATOM 1559 O GLN A 99 10.130 -10.116 -20.083 1.00 0.00 O ATOM 1560 CB GLN A 99 7.508 -8.103 -20.318 1.00 0.00 C ATOM 1561 CG GLN A 99 6.629 -7.615 -21.459 1.00 0.00 C ATOM 1562 CD GLN A 99 7.422 -7.300 -22.712 1.00 0.00 C ATOM 1563 OE1 GLN A 99 8.652 -7.352 -22.712 1.00 0.00 O ATOM 1564 NE2 GLN A 99 6.719 -6.970 -23.790 1.00 0.00 N ATOM 0 H GLN A 99 5.986 -9.817 -19.346 1.00 0.00 H new ATOM 0 HA GLN A 99 7.996 -9.893 -21.403 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.022 -7.870 -19.371 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.450 -7.555 -20.336 1.00 0.00 H new ATOM 0 HG2 GLN A 99 5.882 -8.375 -21.688 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.089 -6.723 -21.141 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.700 -6.940 -23.745 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.198 -6.747 -24.663 1.00 0.00 H new ATOM 1573 N ALA A 100 8.873 -9.963 -18.224 1.00 0.00 N ATOM 1574 CA ALA A 100 9.978 -10.256 -17.320 1.00 0.00 C ATOM 1575 C ALA A 100 10.656 -11.571 -17.690 1.00 0.00 C ATOM 1576 O ALA A 100 11.875 -11.702 -17.589 1.00 0.00 O ATOM 1577 CB ALA A 100 9.486 -10.302 -15.881 1.00 0.00 C ATOM 0 H ALA A 100 7.980 -9.800 -17.759 1.00 0.00 H new ATOM 0 HA ALA A 100 10.714 -9.457 -17.416 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.322 -10.522 -15.217 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.054 -9.338 -15.613 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.729 -11.079 -15.780 1.00 0.00 H new ATOM 1583 N GLY A 101 9.858 -12.544 -18.120 1.00 0.00 N ATOM 1584 CA GLY A 101 10.399 -13.836 -18.498 1.00 0.00 C ATOM 1585 C GLY A 101 11.224 -13.769 -19.768 1.00 0.00 C ATOM 1586 O GLY A 101 12.034 -14.657 -20.038 1.00 0.00 O ATOM 0 H GLY A 101 8.846 -12.460 -18.213 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.017 -14.219 -17.686 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.581 -14.543 -18.637 1.00 0.00 H new ATOM 1590 N LYS A 102 11.019 -12.716 -20.550 1.00 0.00 N ATOM 1591 CA LYS A 102 11.749 -12.536 -21.799 1.00 0.00 C ATOM 1592 C LYS A 102 13.237 -12.327 -21.534 1.00 0.00 C ATOM 1593 O LYS A 102 14.079 -13.038 -22.082 1.00 0.00 O ATOM 1594 CB LYS A 102 11.187 -11.343 -22.576 1.00 0.00 C ATOM 1595 CG LYS A 102 9.693 -11.435 -22.833 1.00 0.00 C ATOM 1596 CD LYS A 102 9.199 -10.270 -23.674 1.00 0.00 C ATOM 1597 CE LYS A 102 9.295 -10.576 -25.161 1.00 0.00 C ATOM 1598 NZ LYS A 102 10.667 -10.341 -25.688 1.00 0.00 N ATOM 0 H LYS A 102 10.352 -11.973 -20.341 1.00 0.00 H new ATOM 0 HA LYS A 102 11.627 -13.440 -22.395 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.396 -10.428 -22.022 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.707 -11.264 -23.531 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.467 -12.373 -23.341 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.160 -11.451 -21.883 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.165 -10.045 -23.414 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.786 -9.380 -23.446 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.011 -11.613 -25.337 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.585 -9.954 -25.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.609 -10.011 -26.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.143 -9.620 -25.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.209 -11.228 -25.652 1.00 0.00 H new ATOM 1612 N GLU A 103 13.552 -11.349 -20.691 1.00 0.00 N ATOM 1613 CA GLU A 103 14.938 -11.049 -20.354 1.00 0.00 C ATOM 1614 C GLU A 103 15.475 -12.039 -19.324 1.00 0.00 C ATOM 1615 O GLU A 103 16.615 -12.495 -19.418 1.00 0.00 O ATOM 1616 CB GLU A 103 15.058 -9.622 -19.815 1.00 0.00 C ATOM 1617 CG GLU A 103 14.213 -9.364 -18.579 1.00 0.00 C ATOM 1618 CD GLU A 103 14.267 -7.918 -18.126 1.00 0.00 C ATOM 1619 OE1 GLU A 103 15.325 -7.280 -18.307 1.00 0.00 O ATOM 1620 OE2 GLU A 103 13.252 -7.425 -17.592 1.00 0.00 O ATOM 0 H GLU A 103 12.866 -10.751 -20.229 1.00 0.00 H new ATOM 0 HA GLU A 103 15.533 -11.138 -21.263 1.00 0.00 H new ATOM 0 HB2 GLU A 103 16.103 -9.419 -19.579 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.765 -8.922 -20.597 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.179 -9.637 -18.787 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.555 -10.008 -17.769 1.00 0.00 H new ATOM 1627 N LEU A 104 14.645 -12.367 -18.340 1.00 0.00 N ATOM 1628 CA LEU A 104 15.034 -13.303 -17.290 1.00 0.00 C ATOM 1629 C LEU A 104 15.263 -14.699 -17.863 1.00 0.00 C ATOM 1630 O LEU A 104 15.981 -15.510 -17.280 1.00 0.00 O ATOM 1631 CB LEU A 104 13.960 -13.356 -16.202 1.00 0.00 C ATOM 1632 CG LEU A 104 13.865 -12.129 -15.294 1.00 0.00 C ATOM 1633 CD1 LEU A 104 12.453 -11.977 -14.749 1.00 0.00 C ATOM 1634 CD2 LEU A 104 14.870 -12.230 -14.155 1.00 0.00 C ATOM 0 H LEU A 104 13.698 -11.999 -18.247 1.00 0.00 H new ATOM 0 HA LEU A 104 15.968 -12.952 -16.852 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.992 -13.505 -16.681 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.145 -14.231 -15.579 1.00 0.00 H new ATOM 0 HG LEU A 104 14.102 -11.244 -15.884 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.404 -11.099 -14.105 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.754 -11.859 -15.577 1.00 0.00 H new ATOM 0 HD13 LEU A 104 12.188 -12.864 -14.174 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.789 -11.349 -13.519 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.663 -13.123 -13.566 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.879 -12.290 -14.564 1.00 0.00 H new ATOM 1646 N GLY A 105 14.647 -14.970 -19.010 1.00 0.00 N ATOM 1647 CA GLY A 105 14.798 -16.268 -19.643 1.00 0.00 C ATOM 1648 C GLY A 105 13.870 -17.311 -19.055 1.00 0.00 C ATOM 1649 O GLY A 105 13.805 -18.440 -19.543 1.00 0.00 O ATOM 0 H GLY A 105 14.047 -14.315 -19.512 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.602 -16.173 -20.711 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.830 -16.603 -19.537 1.00 0.00 H new ATOM 1653 N ILE A 106 13.150 -16.935 -18.003 1.00 0.00 N ATOM 1654 CA ILE A 106 12.222 -17.848 -17.347 1.00 0.00 C ATOM 1655 C ILE A 106 10.901 -17.927 -18.104 1.00 0.00 C ATOM 1656 O ILE A 106 10.246 -16.911 -18.340 1.00 0.00 O ATOM 1657 CB ILE A 106 11.943 -17.420 -15.894 1.00 0.00 C ATOM 1658 CG1 ILE A 106 13.118 -17.804 -14.992 1.00 0.00 C ATOM 1659 CG2 ILE A 106 10.654 -18.054 -15.393 1.00 0.00 C ATOM 1660 CD1 ILE A 106 14.159 -16.714 -14.859 1.00 0.00 C ATOM 0 H ILE A 106 13.192 -16.005 -17.587 1.00 0.00 H new ATOM 0 HA ILE A 106 12.695 -18.830 -17.343 1.00 0.00 H new ATOM 0 HB ILE A 106 11.826 -16.337 -15.866 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.738 -18.055 -14.002 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.592 -18.702 -15.389 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.471 -17.742 -14.365 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.823 -17.735 -16.023 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.743 -19.140 -15.432 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.962 -17.055 -14.206 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.566 -16.478 -15.842 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.699 -15.822 -14.433 1.00 0.00 H new ATOM 1672 N LYS A 107 10.513 -19.140 -18.482 1.00 0.00 N ATOM 1673 CA LYS A 107 9.268 -19.354 -19.210 1.00 0.00 C ATOM 1674 C LYS A 107 8.078 -18.816 -18.422 1.00 0.00 C ATOM 1675 O LYS A 107 7.957 -19.055 -17.220 1.00 0.00 O ATOM 1676 CB LYS A 107 9.071 -20.844 -19.498 1.00 0.00 C ATOM 1677 CG LYS A 107 9.580 -21.272 -20.863 1.00 0.00 C ATOM 1678 CD LYS A 107 11.066 -20.993 -21.017 1.00 0.00 C ATOM 1679 CE LYS A 107 11.894 -21.841 -20.064 1.00 0.00 C ATOM 1680 NZ LYS A 107 11.756 -23.296 -20.354 1.00 0.00 N ATOM 0 H LYS A 107 11.044 -19.991 -18.296 1.00 0.00 H new ATOM 0 HA LYS A 107 9.331 -18.813 -20.154 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.583 -21.425 -18.730 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.010 -21.083 -19.424 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.392 -22.336 -21.005 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.027 -20.744 -21.640 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.371 -21.195 -22.044 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.260 -19.937 -20.829 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.943 -21.553 -20.140 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.582 -21.644 -19.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.511 -23.820 -19.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.831 -23.631 -20.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.830 -23.454 -21.379 1.00 0.00 H new ATOM 1694 N LEU A 108 7.200 -18.090 -19.107 1.00 0.00 N ATOM 1695 CA LEU A 108 6.018 -17.519 -18.471 1.00 0.00 C ATOM 1696 C LEU A 108 4.922 -17.255 -19.498 1.00 0.00 C ATOM 1697 O LEU A 108 5.148 -16.577 -20.501 1.00 0.00 O ATOM 1698 CB LEU A 108 6.380 -16.221 -17.748 1.00 0.00 C ATOM 1699 CG LEU A 108 5.527 -15.872 -16.528 1.00 0.00 C ATOM 1700 CD1 LEU A 108 4.048 -15.938 -16.874 1.00 0.00 C ATOM 1701 CD2 LEU A 108 5.848 -16.804 -15.369 1.00 0.00 C ATOM 0 H LEU A 108 7.285 -17.883 -20.102 1.00 0.00 H new ATOM 0 HA LEU A 108 5.643 -18.239 -17.744 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.422 -16.283 -17.433 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.311 -15.400 -18.461 1.00 0.00 H new ATOM 0 HG LEU A 108 5.762 -14.852 -16.224 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.457 -15.687 -15.993 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.829 -15.229 -17.673 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.796 -16.946 -17.204 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.232 -16.541 -14.509 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.642 -17.833 -15.662 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.901 -16.706 -15.104 1.00 0.00 H new ATOM 2062 N HIS A 133 -3.521 -17.242 -13.399 1.00 0.00 N ATOM 2063 CA HIS A 133 -2.565 -18.253 -12.963 1.00 0.00 C ATOM 2064 C HIS A 133 -1.394 -18.350 -13.936 1.00 0.00 C ATOM 2065 O HIS A 133 -1.585 -18.550 -15.136 1.00 0.00 O ATOM 2066 CB HIS A 133 -3.251 -19.614 -12.836 1.00 0.00 C ATOM 2067 CG HIS A 133 -2.330 -20.710 -12.397 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -1.503 -20.605 -11.298 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -2.109 -21.942 -12.915 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -0.813 -21.722 -11.160 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -1.162 -22.550 -12.128 1.00 0.00 N ATOM 0 HA HIS A 133 -2.180 -17.956 -11.987 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -4.072 -19.533 -12.123 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -3.689 -19.882 -13.797 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -1.435 -19.791 -10.687 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -2.588 -22.367 -13.785 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.087 -21.924 -10.387 1.00 0.00 H new ATOM 2079 N VAL A 134 -0.181 -18.205 -13.412 1.00 0.00 N ATOM 2080 CA VAL A 134 1.021 -18.275 -14.234 1.00 0.00 C ATOM 2081 C VAL A 134 1.718 -19.622 -14.075 1.00 0.00 C ATOM 2082 O VAL A 134 1.906 -20.105 -12.959 1.00 0.00 O ATOM 2083 CB VAL A 134 2.012 -17.152 -13.878 1.00 0.00 C ATOM 2084 CG1 VAL A 134 1.328 -15.795 -13.947 1.00 0.00 C ATOM 2085 CG2 VAL A 134 2.610 -17.387 -12.499 1.00 0.00 C ATOM 0 H VAL A 134 -0.005 -18.038 -12.421 1.00 0.00 H new ATOM 0 HA VAL A 134 0.703 -18.153 -15.269 1.00 0.00 H new ATOM 0 HB VAL A 134 2.822 -17.161 -14.607 1.00 0.00 H new ATOM 0 HG11 VAL A 134 2.044 -15.013 -13.692 1.00 0.00 H new ATOM 0 HG12 VAL A 134 0.952 -15.628 -14.956 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.497 -15.770 -13.242 1.00 0.00 H new ATOM 0 HG21 VAL A 134 3.308 -16.584 -12.264 1.00 0.00 H new ATOM 0 HG22 VAL A 134 1.813 -17.405 -11.755 1.00 0.00 H new ATOM 0 HG23 VAL A 134 3.137 -18.341 -12.489 1.00 0.00 H new ATOM 2095 N GLU A 135 2.098 -20.222 -15.198 1.00 0.00 N ATOM 2096 CA GLU A 135 2.774 -21.514 -15.182 1.00 0.00 C ATOM 2097 C GLU A 135 3.966 -21.517 -16.135 1.00 0.00 C ATOM 2098 O GLU A 135 4.187 -20.556 -16.873 1.00 0.00 O ATOM 2099 CB GLU A 135 1.799 -22.630 -15.564 1.00 0.00 C ATOM 2100 CG GLU A 135 1.232 -22.489 -16.967 1.00 0.00 C ATOM 2101 CD GLU A 135 0.657 -23.788 -17.497 1.00 0.00 C ATOM 2102 OE1 GLU A 135 1.083 -24.862 -17.023 1.00 0.00 O ATOM 2103 OE2 GLU A 135 -0.218 -23.730 -18.386 1.00 0.00 O ATOM 0 H GLU A 135 1.950 -19.835 -16.130 1.00 0.00 H new ATOM 0 HA GLU A 135 3.139 -21.691 -14.170 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.309 -23.590 -15.482 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.977 -22.643 -14.849 1.00 0.00 H new ATOM 0 HG2 GLU A 135 0.454 -21.726 -16.965 1.00 0.00 H new ATOM 0 HG3 GLU A 135 2.017 -22.143 -17.639 1.00 0.00 H new ATOM 2110 N LEU A 136 4.731 -22.603 -16.113 1.00 0.00 N ATOM 2111 CA LEU A 136 5.901 -22.732 -16.975 1.00 0.00 C ATOM 2112 C LEU A 136 5.524 -23.353 -18.316 1.00 0.00 C ATOM 2113 O LEU A 136 5.035 -24.482 -18.373 1.00 0.00 O ATOM 2114 CB LEU A 136 6.972 -23.581 -16.289 1.00 0.00 C ATOM 2115 CG LEU A 136 7.953 -22.827 -15.390 1.00 0.00 C ATOM 2116 CD1 LEU A 136 8.956 -23.788 -14.770 1.00 0.00 C ATOM 2117 CD2 LEU A 136 8.669 -21.739 -16.176 1.00 0.00 C ATOM 0 H LEU A 136 4.562 -23.407 -15.508 1.00 0.00 H new ATOM 0 HA LEU A 136 6.299 -21.734 -17.158 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.474 -24.344 -15.690 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.542 -24.102 -17.058 1.00 0.00 H new ATOM 0 HG LEU A 136 7.389 -22.354 -14.586 1.00 0.00 H new ATOM 0 HD11 LEU A 136 9.646 -23.234 -14.134 1.00 0.00 H new ATOM 0 HD12 LEU A 136 8.427 -24.530 -14.172 1.00 0.00 H new ATOM 0 HD13 LEU A 136 9.515 -24.290 -15.560 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.363 -21.213 -15.520 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.220 -22.189 -17.001 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.937 -21.034 -16.570 1.00 0.00 H new ATOM 2129 N VAL A 137 5.757 -22.610 -19.393 1.00 0.00 N ATOM 2130 CA VAL A 137 5.446 -23.089 -20.734 1.00 0.00 C ATOM 2131 C VAL A 137 6.705 -23.553 -21.458 1.00 0.00 C ATOM 2132 O VAL A 137 6.926 -24.758 -21.570 1.00 0.00 O ATOM 2133 CB VAL A 137 4.756 -21.998 -21.574 1.00 0.00 C ATOM 2134 CG1 VAL A 137 3.348 -21.738 -21.061 1.00 0.00 C ATOM 2135 CG2 VAL A 137 5.581 -20.719 -21.565 1.00 0.00 C ATOM 0 H VAL A 137 6.160 -21.674 -19.363 1.00 0.00 H new ATOM 0 HA VAL A 137 4.765 -23.933 -20.619 1.00 0.00 H new ATOM 0 HB VAL A 137 4.682 -22.349 -22.603 1.00 0.00 H new ATOM 0 HG11 VAL A 137 2.877 -20.964 -21.667 1.00 0.00 H new ATOM 0 HG12 VAL A 137 2.763 -22.655 -21.124 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.394 -21.408 -20.023 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.079 -19.958 -22.163 1.00 0.00 H new ATOM 0 HG22 VAL A 137 5.688 -20.363 -20.541 1.00 0.00 H new ATOM 0 HG23 VAL A 137 6.567 -20.919 -21.985 1.00 0.00 H new