USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 746 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0294 (180deg=-0.224) USER MOD Single : A 3 LYS NZ :NH3+ 159:sc= -0.0108 (180deg=-0.167) USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= -4.59! (180deg=-5.18!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -160:sc= -0.0176 USER MOD Single : A 20 SER OG : rot -55:sc= 0.0276 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= -1.95 (180deg=-2) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0159) USER MOD Single : A 38 THR OG1 : rot -136:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -1.24 (180deg=-1.52) USER MOD Single : A 45 THR OG1 : rot 170:sc= 0 USER MOD Single : A 46 SER OG : rot -45:sc= 0.98 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= 0.165 (180deg=-0.183) USER MOD Single : A 60 LYS NZ :NH3+ -111:sc= -8.35! (180deg=-13!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 75:sc= 0.62 USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0534) USER MOD Single : A 85 LYS NZ :NH3+ -138:sc= -0.123 (180deg=-0.41) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.138 5.981 -20.290 1.00 0.00 N ATOM 2 CA MET A 1 -19.733 6.949 -19.326 1.00 0.00 C ATOM 3 C MET A 1 -19.465 6.473 -17.895 1.00 0.00 C ATOM 4 O MET A 1 -19.334 7.265 -16.982 1.00 0.00 O ATOM 5 CB MET A 1 -21.246 7.044 -19.561 1.00 0.00 C ATOM 6 CG MET A 1 -21.762 8.402 -19.073 1.00 0.00 C ATOM 7 SD MET A 1 -22.105 8.319 -17.297 1.00 0.00 S ATOM 8 CE MET A 1 -21.534 9.983 -16.870 1.00 0.00 C ATOM 0 H1 MET A 1 -19.138 6.396 -21.243 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.161 5.765 -20.006 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.699 5.106 -20.294 1.00 0.00 H new ATOM 0 HA MET A 1 -19.283 7.931 -19.473 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.467 6.920 -20.621 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.757 6.239 -19.032 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.023 9.177 -19.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.667 8.675 -19.616 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.658 10.147 -15.799 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.481 10.085 -17.133 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.119 10.721 -17.420 1.00 0.00 H new ATOM 17 N GLU A 2 -19.384 5.182 -17.696 1.00 0.00 N ATOM 18 CA GLU A 2 -19.127 4.646 -16.326 1.00 0.00 C ATOM 19 C GLU A 2 -17.631 4.736 -16.010 1.00 0.00 C ATOM 20 O GLU A 2 -16.838 3.938 -16.474 1.00 0.00 O ATOM 21 CB GLU A 2 -19.582 3.183 -16.246 1.00 0.00 C ATOM 22 CG GLU A 2 -19.302 2.472 -17.575 1.00 0.00 C ATOM 23 CD GLU A 2 -19.256 0.959 -17.347 1.00 0.00 C ATOM 24 OE1 GLU A 2 -20.314 0.349 -17.337 1.00 0.00 O ATOM 25 OE2 GLU A 2 -18.165 0.437 -17.185 1.00 0.00 O ATOM 0 H GLU A 2 -19.485 4.475 -18.425 1.00 0.00 H new ATOM 0 HA GLU A 2 -19.687 5.236 -15.600 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -19.059 2.675 -15.435 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -20.647 3.137 -16.017 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -20.077 2.717 -18.301 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -18.355 2.816 -17.991 1.00 0.00 H new ATOM 32 N LYS A 3 -17.242 5.701 -15.219 1.00 0.00 N ATOM 33 CA LYS A 3 -15.800 5.848 -14.861 1.00 0.00 C ATOM 34 C LYS A 3 -15.442 4.833 -13.771 1.00 0.00 C ATOM 35 O LYS A 3 -14.288 4.503 -13.573 1.00 0.00 O ATOM 36 CB LYS A 3 -15.547 7.268 -14.343 1.00 0.00 C ATOM 37 CG LYS A 3 -14.097 7.672 -14.628 1.00 0.00 C ATOM 38 CD LYS A 3 -13.989 8.248 -16.044 1.00 0.00 C ATOM 39 CE LYS A 3 -12.564 8.059 -16.569 1.00 0.00 C ATOM 40 NZ LYS A 3 -12.365 6.636 -16.963 1.00 0.00 N ATOM 0 H LYS A 3 -17.863 6.396 -14.804 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.183 5.668 -15.742 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.231 7.968 -14.824 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.744 7.315 -13.272 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.765 8.411 -13.898 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.442 6.807 -14.526 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.699 7.751 -16.705 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.247 9.307 -16.037 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.390 8.712 -17.424 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.842 8.340 -15.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.568 6.568 -17.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.160 6.067 -16.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.228 6.278 -17.420 1.00 0.00 H new ATOM 54 N GLY A 4 -16.427 4.333 -13.070 1.00 0.00 N ATOM 55 CA GLY A 4 -16.158 3.335 -11.992 1.00 0.00 C ATOM 56 C GLY A 4 -15.424 4.014 -10.833 1.00 0.00 C ATOM 57 O GLY A 4 -16.036 4.561 -9.935 1.00 0.00 O ATOM 0 H GLY A 4 -17.410 4.574 -13.199 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.095 2.904 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.558 2.514 -12.384 1.00 0.00 H new ATOM 61 N GLY A 5 -14.116 3.980 -10.848 1.00 0.00 N ATOM 62 CA GLY A 5 -13.333 4.620 -9.751 1.00 0.00 C ATOM 63 C GLY A 5 -13.480 3.799 -8.470 1.00 0.00 C ATOM 64 O GLY A 5 -14.036 4.258 -7.490 1.00 0.00 O ATOM 0 H GLY A 5 -13.556 3.535 -11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.282 4.688 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.685 5.638 -9.585 1.00 0.00 H new ATOM 68 N GLU A 6 -12.994 2.585 -8.472 1.00 0.00 N ATOM 69 CA GLU A 6 -13.115 1.733 -7.253 1.00 0.00 C ATOM 70 C GLU A 6 -11.951 0.740 -7.187 1.00 0.00 C ATOM 71 O GLU A 6 -12.069 -0.318 -6.601 1.00 0.00 O ATOM 72 CB GLU A 6 -14.445 0.969 -7.303 1.00 0.00 C ATOM 73 CG GLU A 6 -15.077 0.938 -5.908 1.00 0.00 C ATOM 74 CD GLU A 6 -15.532 2.348 -5.517 1.00 0.00 C ATOM 75 OE1 GLU A 6 -16.533 2.798 -6.054 1.00 0.00 O ATOM 76 OE2 GLU A 6 -14.872 2.953 -4.688 1.00 0.00 O ATOM 0 H GLU A 6 -12.520 2.148 -9.263 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.087 2.366 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.124 1.447 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.278 -0.047 -7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.927 0.255 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.358 0.562 -5.180 1.00 0.00 H new ATOM 83 N ALA A 7 -10.831 1.074 -7.786 1.00 0.00 N ATOM 84 CA ALA A 7 -9.648 0.155 -7.766 1.00 0.00 C ATOM 85 C ALA A 7 -9.483 -0.456 -6.367 1.00 0.00 C ATOM 86 O ALA A 7 -9.974 -1.534 -6.094 1.00 0.00 O ATOM 87 CB ALA A 7 -8.389 0.944 -8.138 1.00 0.00 C ATOM 0 H ALA A 7 -10.686 1.949 -8.290 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.802 -0.649 -8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.526 0.279 -8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.506 1.367 -9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.238 1.749 -7.419 1.00 0.00 H new ATOM 93 N LEU A 8 -8.813 0.226 -5.476 1.00 0.00 N ATOM 94 CA LEU A 8 -8.631 -0.300 -4.091 1.00 0.00 C ATOM 95 C LEU A 8 -8.932 0.836 -3.112 1.00 0.00 C ATOM 96 O LEU A 8 -8.380 0.911 -2.030 1.00 0.00 O ATOM 97 CB LEU A 8 -7.188 -0.786 -3.901 1.00 0.00 C ATOM 98 CG LEU A 8 -6.207 0.160 -4.603 1.00 0.00 C ATOM 99 CD1 LEU A 8 -6.100 1.473 -3.821 1.00 0.00 C ATOM 100 CD2 LEU A 8 -4.836 -0.515 -4.666 1.00 0.00 C ATOM 0 H LEU A 8 -8.380 1.133 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.302 -1.140 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.953 -0.840 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.081 -1.794 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.562 0.379 -5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.401 2.141 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.081 1.946 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.742 1.268 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.127 0.147 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.488 -0.726 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.915 -1.448 -5.225 1.00 0.00 H new ATOM 112 N LYS A 9 -9.814 1.721 -3.494 1.00 0.00 N ATOM 113 CA LYS A 9 -10.171 2.864 -2.609 1.00 0.00 C ATOM 114 C LYS A 9 -11.018 2.357 -1.439 1.00 0.00 C ATOM 115 O LYS A 9 -11.511 1.245 -1.458 1.00 0.00 O ATOM 116 CB LYS A 9 -10.975 3.892 -3.409 1.00 0.00 C ATOM 117 CG LYS A 9 -10.029 4.941 -3.996 1.00 0.00 C ATOM 118 CD LYS A 9 -10.733 5.692 -5.130 1.00 0.00 C ATOM 119 CE LYS A 9 -10.391 5.042 -6.473 1.00 0.00 C ATOM 120 NZ LYS A 9 -11.194 5.686 -7.550 1.00 0.00 N ATOM 0 H LYS A 9 -10.305 1.699 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.261 3.327 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.525 3.396 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.712 4.372 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.720 5.641 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.125 4.461 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.812 5.678 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.425 6.737 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.327 5.151 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.601 3.973 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.108 5.132 -8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.193 5.726 -7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.843 6.651 -7.715 1.00 0.00 H new ATOM 134 N GLY A 10 -11.190 3.160 -0.422 1.00 0.00 N ATOM 135 CA GLY A 10 -12.005 2.723 0.748 1.00 0.00 C ATOM 136 C GLY A 10 -11.128 1.921 1.711 1.00 0.00 C ATOM 137 O GLY A 10 -11.595 1.426 2.719 1.00 0.00 O ATOM 0 H GLY A 10 -10.801 4.100 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.423 3.591 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.845 2.115 0.412 1.00 0.00 H new ATOM 141 N LEU A 11 -9.861 1.788 1.408 1.00 0.00 N ATOM 142 CA LEU A 11 -8.948 1.017 2.302 1.00 0.00 C ATOM 143 C LEU A 11 -7.841 1.935 2.823 1.00 0.00 C ATOM 144 O LEU A 11 -7.480 2.914 2.196 1.00 0.00 O ATOM 145 CB LEU A 11 -8.314 -0.143 1.520 1.00 0.00 C ATOM 146 CG LEU A 11 -9.199 -1.396 1.605 1.00 0.00 C ATOM 147 CD1 LEU A 11 -9.472 -1.747 3.073 1.00 0.00 C ATOM 148 CD2 LEU A 11 -10.527 -1.141 0.882 1.00 0.00 C ATOM 0 H LEU A 11 -9.420 2.182 0.577 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.521 0.622 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.179 0.144 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.324 -0.362 1.921 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.681 -2.229 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.100 -2.636 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.528 -1.940 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.982 -0.914 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.152 -2.032 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.042 -0.303 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.332 -0.907 -0.165 1.00 0.00 H new ATOM 160 N THR A 12 -7.300 1.613 3.968 1.00 0.00 N ATOM 161 CA THR A 12 -6.210 2.441 4.555 1.00 0.00 C ATOM 162 C THR A 12 -4.941 1.592 4.645 1.00 0.00 C ATOM 163 O THR A 12 -5.000 0.402 4.878 1.00 0.00 O ATOM 164 CB THR A 12 -6.630 2.904 5.955 1.00 0.00 C ATOM 165 OG1 THR A 12 -7.637 3.899 5.837 1.00 0.00 O ATOM 166 CG2 THR A 12 -5.425 3.483 6.702 1.00 0.00 C ATOM 0 H THR A 12 -7.571 0.803 4.526 1.00 0.00 H new ATOM 0 HA THR A 12 -6.020 3.314 3.931 1.00 0.00 H new ATOM 0 HB THR A 12 -7.016 2.051 6.513 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.909 4.196 6.730 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.735 3.809 7.695 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.653 2.719 6.795 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.028 4.334 6.148 1.00 0.00 H new ATOM 174 N PHE A 13 -3.795 2.193 4.456 1.00 0.00 N ATOM 175 CA PHE A 13 -2.521 1.419 4.527 1.00 0.00 C ATOM 176 C PHE A 13 -1.533 2.142 5.453 1.00 0.00 C ATOM 177 O PHE A 13 -1.245 3.309 5.279 1.00 0.00 O ATOM 178 CB PHE A 13 -1.924 1.295 3.121 1.00 0.00 C ATOM 179 CG PHE A 13 -2.878 0.526 2.227 1.00 0.00 C ATOM 180 CD1 PHE A 13 -3.045 -0.856 2.395 1.00 0.00 C ATOM 181 CD2 PHE A 13 -3.591 1.196 1.224 1.00 0.00 C ATOM 182 CE1 PHE A 13 -3.923 -1.565 1.563 1.00 0.00 C ATOM 183 CE2 PHE A 13 -4.470 0.487 0.393 1.00 0.00 C ATOM 184 CZ PHE A 13 -4.635 -0.892 0.562 1.00 0.00 C ATOM 0 H PHE A 13 -3.687 3.187 4.255 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.718 0.423 4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.739 2.285 2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.962 0.784 3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.496 -1.375 3.167 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.463 2.260 1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.050 -2.629 1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.020 1.006 -0.378 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.311 -1.438 -0.079 1.00 0.00 H new ATOM 194 N VAL A 14 -1.017 1.445 6.434 1.00 0.00 N ATOM 195 CA VAL A 14 -0.046 2.074 7.384 1.00 0.00 C ATOM 196 C VAL A 14 1.345 1.474 7.173 1.00 0.00 C ATOM 197 O VAL A 14 1.488 0.322 6.810 1.00 0.00 O ATOM 198 CB VAL A 14 -0.500 1.840 8.837 1.00 0.00 C ATOM 199 CG1 VAL A 14 -0.131 0.426 9.294 1.00 0.00 C ATOM 200 CG2 VAL A 14 0.184 2.847 9.762 1.00 0.00 C ATOM 0 H VAL A 14 -1.226 0.464 6.619 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.008 3.147 7.194 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.582 1.964 8.881 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.460 0.279 10.323 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.620 -0.304 8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.950 0.295 9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.141 2.677 10.789 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.265 2.724 9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.084 3.859 9.460 1.00 0.00 H new ATOM 210 N ILE A 15 2.370 2.251 7.399 1.00 0.00 N ATOM 211 CA ILE A 15 3.758 1.733 7.220 1.00 0.00 C ATOM 212 C ILE A 15 4.465 1.720 8.575 1.00 0.00 C ATOM 213 O ILE A 15 4.627 2.746 9.207 1.00 0.00 O ATOM 214 CB ILE A 15 4.534 2.637 6.256 1.00 0.00 C ATOM 215 CG1 ILE A 15 3.694 2.894 4.999 1.00 0.00 C ATOM 216 CG2 ILE A 15 5.849 1.955 5.861 1.00 0.00 C ATOM 217 CD1 ILE A 15 2.798 4.116 5.218 1.00 0.00 C ATOM 0 H ILE A 15 2.306 3.223 7.700 1.00 0.00 H new ATOM 0 HA ILE A 15 3.716 0.724 6.810 1.00 0.00 H new ATOM 0 HB ILE A 15 4.749 3.586 6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.346 3.058 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.084 2.020 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.401 2.598 5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.449 1.777 6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.634 1.004 5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.203 4.296 4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.135 3.934 6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.417 4.989 5.423 1.00 0.00 H new ATOM 229 N THR A 16 4.892 0.569 9.023 1.00 0.00 N ATOM 230 CA THR A 16 5.597 0.495 10.334 1.00 0.00 C ATOM 231 C THR A 16 6.868 1.334 10.259 1.00 0.00 C ATOM 232 O THR A 16 7.863 0.903 9.713 1.00 0.00 O ATOM 233 CB THR A 16 5.978 -0.957 10.637 1.00 0.00 C ATOM 234 OG1 THR A 16 4.904 -1.601 11.308 1.00 0.00 O ATOM 235 CG2 THR A 16 7.232 -0.988 11.517 1.00 0.00 C ATOM 0 H THR A 16 4.783 -0.321 8.538 1.00 0.00 H new ATOM 0 HA THR A 16 4.942 0.870 11.120 1.00 0.00 H new ATOM 0 HB THR A 16 6.183 -1.479 9.703 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.239 -2.394 11.776 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.501 -2.022 11.731 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.055 -0.500 10.995 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.034 -0.464 12.452 1.00 0.00 H new ATOM 243 N GLY A 17 6.847 2.518 10.805 1.00 0.00 N ATOM 244 CA GLY A 17 8.062 3.378 10.766 1.00 0.00 C ATOM 245 C GLY A 17 8.489 3.594 9.314 1.00 0.00 C ATOM 246 O GLY A 17 8.252 4.639 8.740 1.00 0.00 O ATOM 0 H GLY A 17 6.040 2.927 11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.857 4.337 11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.870 2.909 11.328 1.00 0.00 H new ATOM 250 N GLU A 18 9.126 2.616 8.716 1.00 0.00 N ATOM 251 CA GLU A 18 9.573 2.785 7.305 1.00 0.00 C ATOM 252 C GLU A 18 9.516 1.458 6.543 1.00 0.00 C ATOM 253 O GLU A 18 9.825 1.403 5.367 1.00 0.00 O ATOM 254 CB GLU A 18 11.007 3.327 7.288 1.00 0.00 C ATOM 255 CG GLU A 18 11.306 3.960 5.923 1.00 0.00 C ATOM 256 CD GLU A 18 12.731 3.606 5.489 1.00 0.00 C ATOM 257 OE1 GLU A 18 12.998 2.429 5.301 1.00 0.00 O ATOM 258 OE2 GLU A 18 13.531 4.519 5.348 1.00 0.00 O ATOM 0 H GLU A 18 9.352 1.717 9.142 1.00 0.00 H new ATOM 0 HA GLU A 18 8.901 3.488 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.136 4.067 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.713 2.521 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.591 3.603 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.192 5.042 5.981 1.00 0.00 H new ATOM 265 N LEU A 19 9.124 0.394 7.189 1.00 0.00 N ATOM 266 CA LEU A 19 9.046 -0.926 6.490 1.00 0.00 C ATOM 267 C LEU A 19 10.453 -1.417 6.118 1.00 0.00 C ATOM 268 O LEU A 19 10.620 -2.560 5.756 1.00 0.00 O ATOM 269 CB LEU A 19 8.204 -0.790 5.207 1.00 0.00 C ATOM 270 CG LEU A 19 7.040 -1.787 5.228 1.00 0.00 C ATOM 271 CD1 LEU A 19 5.924 -1.291 4.301 1.00 0.00 C ATOM 272 CD2 LEU A 19 7.535 -3.151 4.742 1.00 0.00 C ATOM 0 H LEU A 19 8.853 0.379 8.172 1.00 0.00 H new ATOM 0 HA LEU A 19 8.580 -1.646 7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.820 0.227 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.829 -0.969 4.332 1.00 0.00 H new ATOM 0 HG LEU A 19 6.655 -1.877 6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.096 -2.000 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.574 -0.317 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.308 -1.203 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.710 -3.863 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.918 -3.058 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.330 -3.504 5.398 1.00 0.00 H new ATOM 284 N SER A 20 11.454 -0.558 6.163 1.00 0.00 N ATOM 285 CA SER A 20 12.851 -0.958 5.780 1.00 0.00 C ATOM 286 C SER A 20 13.032 -0.734 4.277 1.00 0.00 C ATOM 287 O SER A 20 13.744 -1.455 3.604 1.00 0.00 O ATOM 288 CB SER A 20 13.130 -2.424 6.131 1.00 0.00 C ATOM 289 OG SER A 20 14.536 -2.625 6.204 1.00 0.00 O ATOM 0 H SER A 20 11.358 0.415 6.453 1.00 0.00 H new ATOM 0 HA SER A 20 13.559 -0.347 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.664 -2.678 7.083 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.695 -3.081 5.378 1.00 0.00 H new ATOM 0 HG SER A 20 14.952 -2.331 5.367 1.00 0.00 H new ATOM 295 N ARG A 21 12.382 0.274 3.758 1.00 0.00 N ATOM 296 CA ARG A 21 12.481 0.591 2.304 1.00 0.00 C ATOM 297 C ARG A 21 11.816 1.953 2.062 1.00 0.00 C ATOM 298 O ARG A 21 11.267 2.539 2.974 1.00 0.00 O ATOM 299 CB ARG A 21 11.758 -0.502 1.503 1.00 0.00 C ATOM 300 CG ARG A 21 12.779 -1.301 0.681 1.00 0.00 C ATOM 301 CD ARG A 21 12.112 -1.852 -0.583 1.00 0.00 C ATOM 302 NE ARG A 21 13.153 -2.426 -1.483 1.00 0.00 N ATOM 303 CZ ARG A 21 13.728 -3.559 -1.181 1.00 0.00 C ATOM 304 NH1 ARG A 21 13.024 -4.656 -1.130 1.00 0.00 N ATOM 305 NH2 ARG A 21 15.008 -3.592 -0.930 1.00 0.00 N ATOM 0 H ARG A 21 11.777 0.900 4.289 1.00 0.00 H new ATOM 0 HA ARG A 21 13.523 0.631 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.221 -1.167 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.017 -0.052 0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.620 -0.663 0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.179 -2.120 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.382 -2.617 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.569 -1.058 -1.096 1.00 0.00 H new ATOM 0 HE ARG A 21 13.417 -1.933 -2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.023 -4.629 -1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.474 -5.540 -0.894 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.558 -2.734 -0.970 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.459 -4.476 -0.694 1.00 0.00 H new ATOM 319 N PRO A 22 11.851 2.459 0.851 1.00 0.00 N ATOM 320 CA PRO A 22 11.225 3.774 0.524 1.00 0.00 C ATOM 321 C PRO A 22 9.704 3.726 0.689 1.00 0.00 C ATOM 322 O PRO A 22 8.977 3.333 -0.204 1.00 0.00 O ATOM 323 CB PRO A 22 11.627 4.023 -0.934 1.00 0.00 C ATOM 324 CG PRO A 22 11.901 2.669 -1.493 1.00 0.00 C ATOM 325 CD PRO A 22 12.475 1.850 -0.338 1.00 0.00 C ATOM 0 HA PRO A 22 11.557 4.572 1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.830 4.523 -1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.508 4.662 -0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.989 2.214 -1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.607 2.724 -2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 22 12.222 0.794 -0.429 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.562 1.915 -0.300 1.00 0.00 H new ATOM 333 N ARG A 23 9.227 4.125 1.838 1.00 0.00 N ATOM 334 CA ARG A 23 7.759 4.112 2.096 1.00 0.00 C ATOM 335 C ARG A 23 7.116 5.386 1.540 1.00 0.00 C ATOM 336 O ARG A 23 5.911 5.484 1.447 1.00 0.00 O ATOM 337 CB ARG A 23 7.505 4.027 3.604 1.00 0.00 C ATOM 338 CG ARG A 23 8.222 5.178 4.319 1.00 0.00 C ATOM 339 CD ARG A 23 7.420 5.596 5.553 1.00 0.00 C ATOM 340 NE ARG A 23 8.130 6.704 6.253 1.00 0.00 N ATOM 341 CZ ARG A 23 7.674 7.160 7.389 1.00 0.00 C ATOM 342 NH1 ARG A 23 6.390 7.156 7.628 1.00 0.00 N ATOM 343 NH2 ARG A 23 8.502 7.620 8.286 1.00 0.00 N ATOM 0 H ARG A 23 9.797 4.462 2.614 1.00 0.00 H new ATOM 0 HA ARG A 23 7.319 3.246 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.435 4.073 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.860 3.071 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.225 4.868 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.335 6.025 3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.421 5.918 5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.296 4.747 6.225 1.00 0.00 H new ATOM 0 HE ARG A 23 8.973 7.107 5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.742 6.796 6.927 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.035 7.512 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.505 7.624 8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.146 7.976 9.173 1.00 0.00 H new ATOM 357 N GLU A 24 7.903 6.364 1.170 1.00 0.00 N ATOM 358 CA GLU A 24 7.322 7.626 0.626 1.00 0.00 C ATOM 359 C GLU A 24 6.952 7.430 -0.846 1.00 0.00 C ATOM 360 O GLU A 24 5.922 7.885 -1.301 1.00 0.00 O ATOM 361 CB GLU A 24 8.348 8.757 0.753 1.00 0.00 C ATOM 362 CG GLU A 24 7.698 10.089 0.365 1.00 0.00 C ATOM 363 CD GLU A 24 8.599 11.246 0.807 1.00 0.00 C ATOM 364 OE1 GLU A 24 8.449 11.690 1.934 1.00 0.00 O ATOM 365 OE2 GLU A 24 9.423 11.667 0.012 1.00 0.00 O ATOM 0 H GLU A 24 8.921 6.342 1.221 1.00 0.00 H new ATOM 0 HA GLU A 24 6.426 7.885 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.723 8.808 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.205 8.558 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.540 10.128 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.718 10.178 0.834 1.00 0.00 H new ATOM 372 N GLU A 25 7.787 6.755 -1.592 1.00 0.00 N ATOM 373 CA GLU A 25 7.486 6.528 -3.036 1.00 0.00 C ATOM 374 C GLU A 25 6.184 5.733 -3.166 1.00 0.00 C ATOM 375 O GLU A 25 5.239 6.173 -3.792 1.00 0.00 O ATOM 376 CB GLU A 25 8.630 5.740 -3.680 1.00 0.00 C ATOM 377 CG GLU A 25 9.900 6.597 -3.698 1.00 0.00 C ATOM 378 CD GLU A 25 11.026 5.839 -4.410 1.00 0.00 C ATOM 379 OE1 GLU A 25 11.333 4.734 -3.986 1.00 0.00 O ATOM 380 OE2 GLU A 25 11.564 6.378 -5.366 1.00 0.00 O ATOM 0 H GLU A 25 8.664 6.351 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 25 7.379 7.489 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.809 4.819 -3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.360 5.452 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.706 7.541 -4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.200 6.840 -2.679 1.00 0.00 H new ATOM 387 N VAL A 26 6.133 4.566 -2.579 1.00 0.00 N ATOM 388 CA VAL A 26 4.897 3.736 -2.664 1.00 0.00 C ATOM 389 C VAL A 26 3.710 4.522 -2.094 1.00 0.00 C ATOM 390 O VAL A 26 2.596 4.406 -2.567 1.00 0.00 O ATOM 391 CB VAL A 26 5.097 2.438 -1.868 1.00 0.00 C ATOM 392 CG1 VAL A 26 5.349 2.763 -0.392 1.00 0.00 C ATOM 393 CG2 VAL A 26 3.846 1.562 -1.992 1.00 0.00 C ATOM 0 H VAL A 26 6.896 4.152 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 26 4.693 3.490 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 26 5.958 1.903 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.490 1.837 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.243 3.380 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.493 3.304 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.989 0.641 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.984 2.100 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.673 1.321 -3.041 1.00 0.00 H new ATOM 403 N LYS A 27 3.940 5.324 -1.086 1.00 0.00 N ATOM 404 CA LYS A 27 2.824 6.117 -0.493 1.00 0.00 C ATOM 405 C LYS A 27 2.436 7.248 -1.447 1.00 0.00 C ATOM 406 O LYS A 27 1.288 7.643 -1.517 1.00 0.00 O ATOM 407 CB LYS A 27 3.267 6.705 0.849 1.00 0.00 C ATOM 408 CG LYS A 27 3.231 5.613 1.924 1.00 0.00 C ATOM 409 CD LYS A 27 1.777 5.282 2.274 1.00 0.00 C ATOM 410 CE LYS A 27 1.553 3.769 2.185 1.00 0.00 C ATOM 411 NZ LYS A 27 1.404 3.369 0.757 1.00 0.00 N ATOM 0 H LYS A 27 4.851 5.463 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 27 1.963 5.467 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.274 7.113 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.612 7.529 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.742 4.719 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.763 5.948 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.546 5.634 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.102 5.799 1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.393 3.240 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.662 3.489 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.201 2.350 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.621 3.902 0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.285 3.575 0.245 1.00 0.00 H new ATOM 425 N ALA A 28 3.382 7.765 -2.188 1.00 0.00 N ATOM 426 CA ALA A 28 3.066 8.863 -3.146 1.00 0.00 C ATOM 427 C ALA A 28 2.127 8.324 -4.226 1.00 0.00 C ATOM 428 O ALA A 28 1.321 9.046 -4.780 1.00 0.00 O ATOM 429 CB ALA A 28 4.356 9.370 -3.795 1.00 0.00 C ATOM 0 H ALA A 28 4.359 7.473 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 28 2.587 9.686 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.121 10.172 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.028 9.747 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.840 8.553 -4.330 1.00 0.00 H new ATOM 435 N LEU A 29 2.225 7.054 -4.521 1.00 0.00 N ATOM 436 CA LEU A 29 1.342 6.449 -5.552 1.00 0.00 C ATOM 437 C LEU A 29 0.044 5.985 -4.886 1.00 0.00 C ATOM 438 O LEU A 29 -1.012 6.002 -5.489 1.00 0.00 O ATOM 439 CB LEU A 29 2.059 5.253 -6.185 1.00 0.00 C ATOM 440 CG LEU A 29 2.513 5.611 -7.606 1.00 0.00 C ATOM 441 CD1 LEU A 29 3.527 6.759 -7.551 1.00 0.00 C ATOM 442 CD2 LEU A 29 3.166 4.387 -8.256 1.00 0.00 C ATOM 0 H LEU A 29 2.885 6.409 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 29 1.110 7.181 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.920 4.971 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.393 4.391 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 29 1.648 5.920 -8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.847 7.010 -8.562 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.064 7.631 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.392 6.453 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.489 4.640 -9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.029 4.078 -7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.445 3.570 -8.300 1.00 0.00 H new ATOM 454 N LEU A 30 0.116 5.577 -3.643 1.00 0.00 N ATOM 455 CA LEU A 30 -1.109 5.117 -2.926 1.00 0.00 C ATOM 456 C LEU A 30 -2.142 6.248 -2.923 1.00 0.00 C ATOM 457 O LEU A 30 -3.272 6.068 -3.333 1.00 0.00 O ATOM 458 CB LEU A 30 -0.731 4.739 -1.484 1.00 0.00 C ATOM 459 CG LEU A 30 -1.816 3.854 -0.852 1.00 0.00 C ATOM 460 CD1 LEU A 30 -3.121 4.642 -0.709 1.00 0.00 C ATOM 461 CD2 LEU A 30 -2.055 2.625 -1.729 1.00 0.00 C ATOM 0 H LEU A 30 0.975 5.543 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.535 4.247 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.223 4.212 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.599 5.642 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.481 3.536 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.883 4.005 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.953 5.511 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.457 4.971 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.825 2.000 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.380 2.943 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.130 2.055 -1.816 1.00 0.00 H new ATOM 473 N ARG A 31 -1.756 7.417 -2.478 1.00 0.00 N ATOM 474 CA ARG A 31 -2.706 8.569 -2.464 1.00 0.00 C ATOM 475 C ARG A 31 -3.258 8.769 -3.877 1.00 0.00 C ATOM 476 O ARG A 31 -4.438 8.986 -4.073 1.00 0.00 O ATOM 477 CB ARG A 31 -1.981 9.840 -2.001 1.00 0.00 C ATOM 478 CG ARG A 31 -0.712 10.052 -2.834 1.00 0.00 C ATOM 479 CD ARG A 31 0.004 11.320 -2.363 1.00 0.00 C ATOM 480 NE ARG A 31 1.002 11.741 -3.389 1.00 0.00 N ATOM 481 CZ ARG A 31 0.603 12.160 -4.561 1.00 0.00 C ATOM 482 NH1 ARG A 31 -0.379 13.015 -4.651 1.00 0.00 N ATOM 483 NH2 ARG A 31 1.189 11.726 -5.643 1.00 0.00 N ATOM 0 H ARG A 31 -0.822 7.623 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.524 8.364 -1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.640 10.702 -2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.723 9.758 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.051 9.191 -2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.968 10.137 -3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.720 12.118 -2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.502 11.137 -1.411 1.00 0.00 H new ATOM 0 HE ARG A 31 1.999 11.702 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.836 13.357 -3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.689 13.341 -5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.958 11.060 -5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.878 12.053 -6.558 1.00 0.00 H new ATOM 497 N ARG A 32 -2.403 8.675 -4.860 1.00 0.00 N ATOM 498 CA ARG A 32 -2.857 8.832 -6.271 1.00 0.00 C ATOM 499 C ARG A 32 -3.913 7.763 -6.561 1.00 0.00 C ATOM 500 O ARG A 32 -4.822 7.962 -7.344 1.00 0.00 O ATOM 501 CB ARG A 32 -1.665 8.650 -7.220 1.00 0.00 C ATOM 502 CG ARG A 32 -1.452 9.929 -8.038 1.00 0.00 C ATOM 503 CD ARG A 32 -2.491 10.001 -9.161 1.00 0.00 C ATOM 504 NE ARG A 32 -2.495 11.372 -9.747 1.00 0.00 N ATOM 505 CZ ARG A 32 -3.206 12.317 -9.194 1.00 0.00 C ATOM 506 NH1 ARG A 32 -4.483 12.404 -9.448 1.00 0.00 N ATOM 507 NH2 ARG A 32 -2.641 13.172 -8.387 1.00 0.00 N ATOM 0 H ARG A 32 -1.406 8.495 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.279 9.826 -6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.766 8.419 -6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.845 7.807 -7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.538 10.803 -7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.446 9.940 -8.458 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.261 9.265 -9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.480 9.757 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.942 11.572 -10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.924 11.734 -10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.040 13.142 -9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.643 13.103 -8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.197 13.910 -7.955 1.00 0.00 H new ATOM 521 N LEU A 33 -3.783 6.624 -5.931 1.00 0.00 N ATOM 522 CA LEU A 33 -4.753 5.512 -6.148 1.00 0.00 C ATOM 523 C LEU A 33 -6.075 5.807 -5.427 1.00 0.00 C ATOM 524 O LEU A 33 -6.963 4.975 -5.388 1.00 0.00 O ATOM 525 CB LEU A 33 -4.144 4.212 -5.607 1.00 0.00 C ATOM 526 CG LEU A 33 -4.507 3.022 -6.512 1.00 0.00 C ATOM 527 CD1 LEU A 33 -4.413 3.415 -7.993 1.00 0.00 C ATOM 528 CD2 LEU A 33 -3.532 1.874 -6.245 1.00 0.00 C ATOM 0 H LEU A 33 -3.037 6.416 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.958 5.412 -7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.060 4.311 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.506 4.029 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.530 2.717 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.674 2.558 -8.614 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.103 4.234 -8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.395 3.732 -8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.784 1.027 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.515 2.202 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.601 1.574 -5.200 1.00 0.00 H new ATOM 540 N GLY A 34 -6.226 6.985 -4.876 1.00 0.00 N ATOM 541 CA GLY A 34 -7.503 7.334 -4.183 1.00 0.00 C ATOM 542 C GLY A 34 -7.521 6.778 -2.756 1.00 0.00 C ATOM 543 O GLY A 34 -8.097 7.372 -1.865 1.00 0.00 O ATOM 0 H GLY A 34 -5.519 7.721 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.623 8.417 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.347 6.933 -4.744 1.00 0.00 H new ATOM 547 N ALA A 35 -6.913 5.642 -2.525 1.00 0.00 N ATOM 548 CA ALA A 35 -6.921 5.057 -1.150 1.00 0.00 C ATOM 549 C ALA A 35 -6.153 5.968 -0.188 1.00 0.00 C ATOM 550 O ALA A 35 -5.356 6.791 -0.596 1.00 0.00 O ATOM 551 CB ALA A 35 -6.270 3.672 -1.180 1.00 0.00 C ATOM 0 H ALA A 35 -6.413 5.096 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.951 4.967 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.276 3.245 -0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.828 3.022 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.242 3.761 -1.530 1.00 0.00 H new ATOM 557 N LYS A 36 -6.394 5.823 1.091 1.00 0.00 N ATOM 558 CA LYS A 36 -5.692 6.673 2.098 1.00 0.00 C ATOM 559 C LYS A 36 -4.592 5.855 2.778 1.00 0.00 C ATOM 560 O LYS A 36 -4.548 4.645 2.664 1.00 0.00 O ATOM 561 CB LYS A 36 -6.698 7.143 3.151 1.00 0.00 C ATOM 562 CG LYS A 36 -7.557 8.273 2.577 1.00 0.00 C ATOM 563 CD LYS A 36 -8.671 8.623 3.567 1.00 0.00 C ATOM 564 CE LYS A 36 -9.682 9.557 2.896 1.00 0.00 C ATOM 565 NZ LYS A 36 -9.071 10.904 2.711 1.00 0.00 N ATOM 0 H LYS A 36 -7.051 5.148 1.482 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.249 7.536 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.332 6.312 3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.172 7.489 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.940 9.150 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.987 7.968 1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.169 7.714 3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.249 9.102 4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.986 9.149 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.581 9.635 3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.775 11.551 2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.756 11.272 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.255 10.830 2.070 1.00 0.00 H new ATOM 579 N VAL A 37 -3.699 6.506 3.481 1.00 0.00 N ATOM 580 CA VAL A 37 -2.597 5.768 4.166 1.00 0.00 C ATOM 581 C VAL A 37 -2.332 6.395 5.538 1.00 0.00 C ATOM 582 O VAL A 37 -2.811 7.471 5.842 1.00 0.00 O ATOM 583 CB VAL A 37 -1.326 5.843 3.315 1.00 0.00 C ATOM 584 CG1 VAL A 37 -1.604 5.234 1.940 1.00 0.00 C ATOM 585 CG2 VAL A 37 -0.901 7.306 3.146 1.00 0.00 C ATOM 0 H VAL A 37 -3.687 7.518 3.609 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.887 4.725 4.296 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.526 5.291 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.702 5.285 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.904 4.193 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.404 5.790 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.004 7.354 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.698 7.862 2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.706 7.744 4.125 1.00 0.00 H new ATOM 595 N THR A 38 -1.575 5.724 6.368 1.00 0.00 N ATOM 596 CA THR A 38 -1.277 6.267 7.725 1.00 0.00 C ATOM 597 C THR A 38 0.104 5.783 8.181 1.00 0.00 C ATOM 598 O THR A 38 0.857 5.201 7.420 1.00 0.00 O ATOM 599 CB THR A 38 -2.341 5.771 8.713 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.582 4.388 8.489 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.641 6.554 8.516 1.00 0.00 C ATOM 0 H THR A 38 -1.149 4.820 6.162 1.00 0.00 H new ATOM 0 HA THR A 38 -1.285 7.356 7.691 1.00 0.00 H new ATOM 0 HB THR A 38 -1.984 5.922 9.732 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.547 4.217 8.508 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.392 6.196 9.221 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.457 7.614 8.689 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.002 6.410 7.498 1.00 0.00 H new ATOM 609 N ASP A 39 0.435 6.010 9.424 1.00 0.00 N ATOM 610 CA ASP A 39 1.756 5.560 9.949 1.00 0.00 C ATOM 611 C ASP A 39 1.665 5.415 11.470 1.00 0.00 C ATOM 612 O ASP A 39 2.642 5.560 12.182 1.00 0.00 O ATOM 613 CB ASP A 39 2.833 6.588 9.588 1.00 0.00 C ATOM 614 CG ASP A 39 2.356 7.990 9.979 1.00 0.00 C ATOM 615 OD1 ASP A 39 2.457 8.325 11.149 1.00 0.00 O ATOM 616 OD2 ASP A 39 1.896 8.704 9.102 1.00 0.00 O ATOM 0 H ASP A 39 -0.157 6.491 10.102 1.00 0.00 H new ATOM 0 HA ASP A 39 2.021 4.600 9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.763 6.352 10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.043 6.549 8.519 1.00 0.00 H new ATOM 621 N SER A 40 0.493 5.122 11.969 1.00 0.00 N ATOM 622 CA SER A 40 0.308 4.956 13.439 1.00 0.00 C ATOM 623 C SER A 40 -0.799 3.927 13.676 1.00 0.00 C ATOM 624 O SER A 40 -1.452 3.492 12.748 1.00 0.00 O ATOM 625 CB SER A 40 -0.095 6.296 14.059 1.00 0.00 C ATOM 626 OG SER A 40 0.902 7.268 13.767 1.00 0.00 O ATOM 0 H SER A 40 -0.352 4.989 11.414 1.00 0.00 H new ATOM 0 HA SER A 40 1.237 4.618 13.898 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.059 6.617 13.664 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.211 6.190 15.138 1.00 0.00 H new ATOM 0 HG SER A 40 0.646 8.128 14.161 1.00 0.00 H new ATOM 632 N VAL A 41 -1.019 3.529 14.903 1.00 0.00 N ATOM 633 CA VAL A 41 -2.089 2.522 15.173 1.00 0.00 C ATOM 634 C VAL A 41 -2.840 2.870 16.458 1.00 0.00 C ATOM 635 O VAL A 41 -2.253 3.076 17.503 1.00 0.00 O ATOM 636 CB VAL A 41 -1.473 1.126 15.313 1.00 0.00 C ATOM 637 CG1 VAL A 41 -0.988 0.639 13.947 1.00 0.00 C ATOM 638 CG2 VAL A 41 -0.290 1.170 16.289 1.00 0.00 C ATOM 0 H VAL A 41 -0.508 3.855 15.724 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.787 2.532 14.336 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.229 0.441 15.697 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.550 -0.354 14.049 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.830 0.595 13.256 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.237 1.328 13.560 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.142 0.174 16.383 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.466 1.859 15.913 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.636 1.508 17.266 1.00 0.00 H new ATOM 648 N SER A 42 -4.141 2.925 16.377 1.00 0.00 N ATOM 649 CA SER A 42 -4.968 3.243 17.574 1.00 0.00 C ATOM 650 C SER A 42 -6.203 2.342 17.567 1.00 0.00 C ATOM 651 O SER A 42 -6.708 1.960 18.604 1.00 0.00 O ATOM 652 CB SER A 42 -5.401 4.709 17.524 1.00 0.00 C ATOM 653 OG SER A 42 -4.251 5.542 17.603 1.00 0.00 O ATOM 0 H SER A 42 -4.672 2.761 15.522 1.00 0.00 H new ATOM 0 HA SER A 42 -4.389 3.075 18.482 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.946 4.908 16.601 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.080 4.928 18.348 1.00 0.00 H new ATOM 0 HG SER A 42 -4.525 6.482 17.570 1.00 0.00 H new ATOM 659 N ARG A 43 -6.682 2.001 16.394 1.00 0.00 N ATOM 660 CA ARG A 43 -7.885 1.120 16.270 1.00 0.00 C ATOM 661 C ARG A 43 -8.406 1.206 14.832 1.00 0.00 C ATOM 662 O ARG A 43 -8.422 0.232 14.103 1.00 0.00 O ATOM 663 CB ARG A 43 -8.985 1.582 17.240 1.00 0.00 C ATOM 664 CG ARG A 43 -10.337 0.989 16.822 1.00 0.00 C ATOM 665 CD ARG A 43 -11.309 1.045 18.004 1.00 0.00 C ATOM 666 NE ARG A 43 -11.594 2.468 18.349 1.00 0.00 N ATOM 667 CZ ARG A 43 -12.539 2.759 19.201 1.00 0.00 C ATOM 668 NH1 ARG A 43 -12.394 2.461 20.463 1.00 0.00 N ATOM 669 NH2 ARG A 43 -13.629 3.348 18.792 1.00 0.00 N ATOM 0 H ARG A 43 -6.283 2.301 15.504 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.612 0.093 16.514 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.740 1.270 18.255 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.042 2.670 17.246 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.744 1.544 15.977 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.207 -0.042 16.493 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.235 0.529 17.751 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.882 0.530 18.864 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.049 3.215 17.918 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.542 2.001 20.784 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.132 2.688 21.129 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.743 3.581 17.806 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.367 3.575 19.459 1.00 0.00 H new ATOM 683 N LYS A 44 -8.841 2.373 14.430 1.00 0.00 N ATOM 684 CA LYS A 44 -9.378 2.555 13.048 1.00 0.00 C ATOM 685 C LYS A 44 -8.323 2.153 12.009 1.00 0.00 C ATOM 686 O LYS A 44 -8.643 1.888 10.865 1.00 0.00 O ATOM 687 CB LYS A 44 -9.766 4.024 12.842 1.00 0.00 C ATOM 688 CG LYS A 44 -11.078 4.321 13.580 1.00 0.00 C ATOM 689 CD LYS A 44 -10.779 4.721 15.030 1.00 0.00 C ATOM 690 CE LYS A 44 -12.026 5.349 15.658 1.00 0.00 C ATOM 691 NZ LYS A 44 -13.061 4.297 15.866 1.00 0.00 N ATOM 0 H LYS A 44 -8.847 3.215 15.006 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.255 1.921 12.922 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.974 4.675 13.212 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.880 4.234 11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.616 5.123 13.075 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.724 3.443 13.561 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.472 3.846 15.603 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.950 5.428 15.059 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.771 5.817 16.609 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.416 6.135 15.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.803 4.660 16.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.482 4.038 14.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.622 3.458 16.295 1.00 0.00 H new ATOM 705 N THR A 45 -7.073 2.099 12.393 1.00 0.00 N ATOM 706 CA THR A 45 -6.008 1.707 11.422 1.00 0.00 C ATOM 707 C THR A 45 -5.962 0.178 11.310 1.00 0.00 C ATOM 708 O THR A 45 -6.850 -0.431 10.752 1.00 0.00 O ATOM 709 CB THR A 45 -4.652 2.246 11.902 1.00 0.00 C ATOM 710 OG1 THR A 45 -4.776 3.629 12.204 1.00 0.00 O ATOM 711 CG2 THR A 45 -3.603 2.057 10.801 1.00 0.00 C ATOM 0 H THR A 45 -6.745 2.309 13.336 1.00 0.00 H new ATOM 0 HA THR A 45 -6.228 2.130 10.442 1.00 0.00 H new ATOM 0 HB THR A 45 -4.341 1.702 12.794 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.965 3.938 12.660 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.642 2.440 11.144 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.508 0.997 10.567 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.912 2.599 9.907 1.00 0.00 H new ATOM 719 N SER A 46 -4.934 -0.435 11.835 1.00 0.00 N ATOM 720 CA SER A 46 -4.804 -1.926 11.776 1.00 0.00 C ATOM 721 C SER A 46 -4.732 -2.403 10.324 1.00 0.00 C ATOM 722 O SER A 46 -5.170 -3.483 9.983 1.00 0.00 O ATOM 723 CB SER A 46 -5.979 -2.581 12.490 1.00 0.00 C ATOM 724 OG SER A 46 -7.084 -2.716 11.605 1.00 0.00 O ATOM 0 H SER A 46 -4.166 0.039 12.310 1.00 0.00 H new ATOM 0 HA SER A 46 -3.880 -2.215 12.278 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.684 -3.561 12.866 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.268 -1.982 13.354 1.00 0.00 H new ATOM 0 HG SER A 46 -7.212 -1.879 11.111 1.00 0.00 H new ATOM 730 N TYR A 47 -4.154 -1.602 9.484 1.00 0.00 N ATOM 731 CA TYR A 47 -3.996 -1.970 8.043 1.00 0.00 C ATOM 732 C TYR A 47 -2.586 -1.568 7.606 1.00 0.00 C ATOM 733 O TYR A 47 -2.240 -0.406 7.639 1.00 0.00 O ATOM 734 CB TYR A 47 -5.023 -1.217 7.190 1.00 0.00 C ATOM 735 CG TYR A 47 -6.426 -1.554 7.638 1.00 0.00 C ATOM 736 CD1 TYR A 47 -6.843 -2.889 7.700 1.00 0.00 C ATOM 737 CD2 TYR A 47 -7.313 -0.528 7.987 1.00 0.00 C ATOM 738 CE1 TYR A 47 -8.144 -3.197 8.110 1.00 0.00 C ATOM 739 CE2 TYR A 47 -8.614 -0.837 8.398 1.00 0.00 C ATOM 740 CZ TYR A 47 -9.030 -2.171 8.460 1.00 0.00 C ATOM 741 OH TYR A 47 -10.313 -2.474 8.865 1.00 0.00 O ATOM 0 H TYR A 47 -3.775 -0.688 9.733 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.152 -3.041 7.913 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.856 -0.143 7.272 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.896 -1.480 6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.160 -3.681 7.431 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.993 0.502 7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.466 -4.227 8.157 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.297 -0.045 8.668 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.795 -1.646 9.072 1.00 0.00 H new ATOM 751 N LEU A 48 -1.766 -2.512 7.214 1.00 0.00 N ATOM 752 CA LEU A 48 -0.369 -2.167 6.797 1.00 0.00 C ATOM 753 C LEU A 48 -0.062 -2.766 5.424 1.00 0.00 C ATOM 754 O LEU A 48 -0.556 -3.815 5.070 1.00 0.00 O ATOM 755 CB LEU A 48 0.622 -2.723 7.834 1.00 0.00 C ATOM 756 CG LEU A 48 2.061 -2.642 7.299 1.00 0.00 C ATOM 757 CD1 LEU A 48 2.994 -2.134 8.401 1.00 0.00 C ATOM 758 CD2 LEU A 48 2.519 -4.034 6.850 1.00 0.00 C ATOM 0 H LEU A 48 -2.001 -3.503 7.164 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.273 -1.083 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.541 -2.159 8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.372 -3.758 8.067 1.00 0.00 H new ATOM 0 HG LEU A 48 2.091 -1.955 6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.013 -2.078 8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.672 -1.143 8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.962 -2.818 9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.539 -3.977 6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.485 -4.719 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.859 -4.398 6.062 1.00 0.00 H new ATOM 770 N VAL A 49 0.776 -2.105 4.665 1.00 0.00 N ATOM 771 CA VAL A 49 1.158 -2.623 3.316 1.00 0.00 C ATOM 772 C VAL A 49 2.406 -3.495 3.462 1.00 0.00 C ATOM 773 O VAL A 49 3.476 -3.010 3.773 1.00 0.00 O ATOM 774 CB VAL A 49 1.466 -1.456 2.361 1.00 0.00 C ATOM 775 CG1 VAL A 49 0.243 -1.167 1.487 1.00 0.00 C ATOM 776 CG2 VAL A 49 1.829 -0.199 3.162 1.00 0.00 C ATOM 0 H VAL A 49 1.215 -1.222 4.925 1.00 0.00 H new ATOM 0 HA VAL A 49 0.332 -3.204 2.906 1.00 0.00 H new ATOM 0 HB VAL A 49 2.310 -1.733 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.465 -0.340 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.006 -2.054 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.603 -0.901 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.045 0.620 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.993 0.077 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.707 -0.400 3.775 1.00 0.00 H new ATOM 786 N VAL A 50 2.279 -4.779 3.255 1.00 0.00 N ATOM 787 CA VAL A 50 3.462 -5.678 3.395 1.00 0.00 C ATOM 788 C VAL A 50 4.284 -5.648 2.102 1.00 0.00 C ATOM 789 O VAL A 50 3.989 -6.356 1.158 1.00 0.00 O ATOM 790 CB VAL A 50 2.966 -7.108 3.654 1.00 0.00 C ATOM 791 CG1 VAL A 50 4.156 -8.036 3.918 1.00 0.00 C ATOM 792 CG2 VAL A 50 2.037 -7.115 4.873 1.00 0.00 C ATOM 0 H VAL A 50 1.409 -5.244 2.995 1.00 0.00 H new ATOM 0 HA VAL A 50 4.086 -5.345 4.224 1.00 0.00 H new ATOM 0 HB VAL A 50 2.424 -7.460 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.795 -9.048 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.816 -8.037 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.705 -7.684 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.685 -8.130 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.581 -6.756 5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.184 -6.464 4.684 1.00 0.00 H new ATOM 802 N GLY A 51 5.306 -4.826 2.041 1.00 0.00 N ATOM 803 CA GLY A 51 6.129 -4.748 0.797 1.00 0.00 C ATOM 804 C GLY A 51 7.446 -5.504 0.988 1.00 0.00 C ATOM 805 O GLY A 51 7.693 -6.504 0.341 1.00 0.00 O ATOM 0 H GLY A 51 5.603 -4.209 2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.576 -5.172 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.332 -3.706 0.551 1.00 0.00 H new ATOM 809 N GLU A 52 8.301 -5.029 1.861 1.00 0.00 N ATOM 810 CA GLU A 52 9.612 -5.717 2.080 1.00 0.00 C ATOM 811 C GLU A 52 9.388 -7.105 2.695 1.00 0.00 C ATOM 812 O GLU A 52 8.272 -7.566 2.828 1.00 0.00 O ATOM 813 CB GLU A 52 10.473 -4.875 3.029 1.00 0.00 C ATOM 814 CG GLU A 52 11.517 -4.098 2.223 1.00 0.00 C ATOM 815 CD GLU A 52 12.857 -4.837 2.272 1.00 0.00 C ATOM 816 OE1 GLU A 52 12.992 -5.826 1.569 1.00 0.00 O ATOM 817 OE2 GLU A 52 13.724 -4.402 3.012 1.00 0.00 O ATOM 0 H GLU A 52 8.148 -4.196 2.430 1.00 0.00 H new ATOM 0 HA GLU A 52 10.117 -5.832 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.844 -4.184 3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.966 -5.519 3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.187 -3.990 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.630 -3.092 2.628 1.00 0.00 H new ATOM 824 N ASN A 53 10.453 -7.760 3.084 1.00 0.00 N ATOM 825 CA ASN A 53 10.327 -9.109 3.713 1.00 0.00 C ATOM 826 C ASN A 53 10.752 -8.996 5.183 1.00 0.00 C ATOM 827 O ASN A 53 9.948 -9.190 6.074 1.00 0.00 O ATOM 828 CB ASN A 53 11.205 -10.123 2.969 1.00 0.00 C ATOM 829 CG ASN A 53 10.318 -11.076 2.166 1.00 0.00 C ATOM 830 OD1 ASN A 53 9.721 -10.684 1.183 1.00 0.00 O ATOM 831 ND2 ASN A 53 10.204 -12.319 2.546 1.00 0.00 N ATOM 0 H ASN A 53 11.409 -7.416 2.992 1.00 0.00 H new ATOM 0 HA ASN A 53 9.296 -9.458 3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.894 -9.603 2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.811 -10.685 3.679 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.614 -12.962 2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.705 -12.648 3.371 1.00 0.00 H new ATOM 838 N PRO A 54 11.995 -8.646 5.445 1.00 0.00 N ATOM 839 CA PRO A 54 12.496 -8.466 6.831 1.00 0.00 C ATOM 840 C PRO A 54 12.203 -7.044 7.313 1.00 0.00 C ATOM 841 O PRO A 54 12.778 -6.559 8.269 1.00 0.00 O ATOM 842 CB PRO A 54 14.003 -8.687 6.705 1.00 0.00 C ATOM 843 CG PRO A 54 14.352 -8.345 5.288 1.00 0.00 C ATOM 844 CD PRO A 54 13.059 -8.385 4.460 1.00 0.00 C ATOM 0 HA PRO A 54 12.030 -9.143 7.546 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.550 -8.056 7.405 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.267 -9.720 6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 54 14.808 -7.356 5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.080 -9.053 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.893 -7.443 3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.098 -9.167 3.702 1.00 0.00 H new ATOM 852 N GLY A 55 11.318 -6.375 6.621 1.00 0.00 N ATOM 853 CA GLY A 55 10.963 -4.972 6.970 1.00 0.00 C ATOM 854 C GLY A 55 10.578 -4.850 8.443 1.00 0.00 C ATOM 855 O GLY A 55 10.178 -5.809 9.076 1.00 0.00 O ATOM 0 H GLY A 55 10.819 -6.751 5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.807 -4.317 6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.134 -4.638 6.346 1.00 0.00 H new ATOM 859 N SER A 56 10.677 -3.662 8.985 1.00 0.00 N ATOM 860 CA SER A 56 10.299 -3.453 10.412 1.00 0.00 C ATOM 861 C SER A 56 8.811 -3.770 10.568 1.00 0.00 C ATOM 862 O SER A 56 8.309 -3.945 11.661 1.00 0.00 O ATOM 863 CB SER A 56 10.563 -1.998 10.805 1.00 0.00 C ATOM 864 OG SER A 56 11.959 -1.740 10.736 1.00 0.00 O ATOM 0 H SER A 56 11.004 -2.828 8.498 1.00 0.00 H new ATOM 0 HA SER A 56 10.889 -4.104 11.057 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.024 -1.325 10.138 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.196 -1.809 11.814 1.00 0.00 H new ATOM 0 HG SER A 56 12.132 -0.808 10.985 1.00 0.00 H new ATOM 870 N LYS A 57 8.113 -3.854 9.464 1.00 0.00 N ATOM 871 CA LYS A 57 6.659 -4.172 9.497 1.00 0.00 C ATOM 872 C LYS A 57 6.437 -5.516 10.187 1.00 0.00 C ATOM 873 O LYS A 57 5.346 -5.822 10.609 1.00 0.00 O ATOM 874 CB LYS A 57 6.123 -4.247 8.065 1.00 0.00 C ATOM 875 CG LYS A 57 6.820 -5.387 7.313 1.00 0.00 C ATOM 876 CD LYS A 57 6.033 -5.721 6.044 1.00 0.00 C ATOM 877 CE LYS A 57 6.962 -6.391 5.029 1.00 0.00 C ATOM 878 NZ LYS A 57 7.258 -7.785 5.468 1.00 0.00 N ATOM 0 H LYS A 57 8.497 -3.713 8.530 1.00 0.00 H new ATOM 0 HA LYS A 57 6.134 -3.392 10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.046 -4.412 8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.295 -3.301 7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.839 -5.097 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.891 -6.268 7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.200 -6.383 6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.606 -4.813 5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.495 -6.400 4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.888 -5.823 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.491 -8.368 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.065 -7.778 6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.425 -8.182 5.948 1.00 0.00 H new ATOM 892 N LEU A 58 7.463 -6.326 10.293 1.00 0.00 N ATOM 893 CA LEU A 58 7.310 -7.662 10.946 1.00 0.00 C ATOM 894 C LEU A 58 6.485 -7.524 12.230 1.00 0.00 C ATOM 895 O LEU A 58 5.871 -8.467 12.688 1.00 0.00 O ATOM 896 CB LEU A 58 8.695 -8.222 11.285 1.00 0.00 C ATOM 897 CG LEU A 58 8.619 -9.747 11.428 1.00 0.00 C ATOM 898 CD1 LEU A 58 8.809 -10.402 10.057 1.00 0.00 C ATOM 899 CD2 LEU A 58 9.721 -10.226 12.379 1.00 0.00 C ATOM 0 H LEU A 58 8.402 -6.118 9.954 1.00 0.00 H new ATOM 0 HA LEU A 58 6.797 -8.340 10.264 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.406 -7.956 10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.060 -7.779 12.212 1.00 0.00 H new ATOM 0 HG LEU A 58 7.644 -10.024 11.830 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.755 -11.486 10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.025 -10.063 9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.783 -10.125 9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.668 -11.310 12.481 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.695 -9.947 11.977 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.585 -9.762 13.356 1.00 0.00 H new ATOM 911 N GLU A 59 6.452 -6.349 12.803 1.00 0.00 N ATOM 912 CA GLU A 59 5.653 -6.146 14.041 1.00 0.00 C ATOM 913 C GLU A 59 4.162 -6.128 13.685 1.00 0.00 C ATOM 914 O GLU A 59 3.395 -6.941 14.167 1.00 0.00 O ATOM 915 CB GLU A 59 6.044 -4.815 14.690 1.00 0.00 C ATOM 916 CG GLU A 59 5.369 -4.695 16.060 1.00 0.00 C ATOM 917 CD GLU A 59 6.049 -3.591 16.874 1.00 0.00 C ATOM 918 OE1 GLU A 59 5.681 -2.441 16.699 1.00 0.00 O ATOM 919 OE2 GLU A 59 6.927 -3.915 17.657 1.00 0.00 O ATOM 0 H GLU A 59 6.945 -5.523 12.465 1.00 0.00 H new ATOM 0 HA GLU A 59 5.850 -6.958 14.741 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.127 -4.757 14.800 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.743 -3.985 14.051 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.310 -4.469 15.936 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.432 -5.644 16.592 1.00 0.00 H new ATOM 926 N LYS A 60 3.742 -5.211 12.846 1.00 0.00 N ATOM 927 CA LYS A 60 2.299 -5.150 12.467 1.00 0.00 C ATOM 928 C LYS A 60 2.019 -6.115 11.313 1.00 0.00 C ATOM 929 O LYS A 60 0.908 -6.565 11.135 1.00 0.00 O ATOM 930 CB LYS A 60 1.946 -3.726 12.034 1.00 0.00 C ATOM 931 CG LYS A 60 0.425 -3.537 12.060 1.00 0.00 C ATOM 932 CD LYS A 60 0.098 -2.056 11.878 1.00 0.00 C ATOM 933 CE LYS A 60 -1.395 -1.900 11.596 1.00 0.00 C ATOM 934 NZ LYS A 60 -1.672 -2.295 10.188 1.00 0.00 N ATOM 0 H LYS A 60 4.336 -4.505 12.410 1.00 0.00 H new ATOM 0 HA LYS A 60 1.693 -5.435 13.327 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.423 -3.005 12.699 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.328 -3.536 11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.040 -4.124 11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.018 -3.898 13.005 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.371 -1.499 12.774 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.681 -1.642 11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.973 -2.521 12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.703 -0.868 11.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.936 -1.454 9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.821 -2.726 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.453 -2.982 10.167 1.00 0.00 H new ATOM 948 N ALA A 61 3.017 -6.424 10.526 1.00 0.00 N ATOM 949 CA ALA A 61 2.818 -7.349 9.371 1.00 0.00 C ATOM 950 C ALA A 61 2.618 -8.780 9.873 1.00 0.00 C ATOM 951 O ALA A 61 1.891 -9.553 9.278 1.00 0.00 O ATOM 952 CB ALA A 61 4.038 -7.298 8.455 1.00 0.00 C ATOM 0 H ALA A 61 3.968 -6.072 10.635 1.00 0.00 H new ATOM 0 HA ALA A 61 1.933 -7.037 8.817 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.889 -7.974 7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.173 -6.282 8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.924 -7.602 9.012 1.00 0.00 H new ATOM 958 N ARG A 62 3.234 -9.143 10.969 1.00 0.00 N ATOM 959 CA ARG A 62 3.039 -10.522 11.501 1.00 0.00 C ATOM 960 C ARG A 62 1.752 -10.524 12.322 1.00 0.00 C ATOM 961 O ARG A 62 0.927 -11.401 12.189 1.00 0.00 O ATOM 962 CB ARG A 62 4.226 -10.913 12.387 1.00 0.00 C ATOM 963 CG ARG A 62 4.249 -12.434 12.567 1.00 0.00 C ATOM 964 CD ARG A 62 5.339 -12.816 13.572 1.00 0.00 C ATOM 965 NE ARG A 62 4.735 -12.959 14.927 1.00 0.00 N ATOM 966 CZ ARG A 62 5.155 -13.894 15.734 1.00 0.00 C ATOM 967 NH1 ARG A 62 6.420 -13.973 16.040 1.00 0.00 N ATOM 968 NH2 ARG A 62 4.309 -14.751 16.235 1.00 0.00 N ATOM 0 H ARG A 62 3.859 -8.548 11.514 1.00 0.00 H new ATOM 0 HA ARG A 62 2.972 -11.241 10.684 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.158 -10.575 11.934 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.147 -10.422 13.357 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.278 -12.783 12.918 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.436 -12.921 11.610 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.813 -13.751 13.273 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.118 -12.054 13.588 1.00 0.00 H new ATOM 0 HE ARG A 62 3.993 -12.325 15.224 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.082 -13.303 15.648 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.747 -14.704 16.671 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.319 -14.690 15.996 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.637 -15.482 16.866 1.00 0.00 H new ATOM 982 N ALA A 63 1.575 -9.501 13.125 1.00 0.00 N ATOM 983 CA ALA A 63 0.338 -9.333 13.957 1.00 0.00 C ATOM 984 C ALA A 63 -0.139 -10.643 14.599 1.00 0.00 C ATOM 985 O ALA A 63 -0.564 -11.567 13.933 1.00 0.00 O ATOM 986 CB ALA A 63 -0.776 -8.779 13.076 1.00 0.00 C ATOM 0 H ALA A 63 2.258 -8.752 13.242 1.00 0.00 H new ATOM 0 HA ALA A 63 0.585 -8.649 14.769 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.681 -8.653 13.670 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.472 -7.815 12.668 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.973 -9.473 12.259 1.00 0.00 H new ATOM 992 N LEU A 64 -0.129 -10.701 15.902 1.00 0.00 N ATOM 993 CA LEU A 64 -0.627 -11.920 16.600 1.00 0.00 C ATOM 994 C LEU A 64 -2.141 -11.777 16.784 1.00 0.00 C ATOM 995 O LEU A 64 -2.713 -12.260 17.743 1.00 0.00 O ATOM 996 CB LEU A 64 0.046 -12.061 17.975 1.00 0.00 C ATOM 997 CG LEU A 64 1.450 -11.450 17.943 1.00 0.00 C ATOM 998 CD1 LEU A 64 2.057 -11.498 19.347 1.00 0.00 C ATOM 999 CD2 LEU A 64 2.338 -12.243 16.977 1.00 0.00 C ATOM 0 H LEU A 64 0.203 -9.956 16.515 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.393 -12.806 16.010 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.557 -11.565 18.735 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.106 -13.113 18.252 1.00 0.00 H new ATOM 0 HG LEU A 64 1.385 -10.415 17.606 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.056 -11.064 19.326 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.429 -10.931 20.034 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.118 -12.534 19.682 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.336 -11.805 16.957 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.403 -13.279 17.310 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.907 -12.210 15.976 1.00 0.00 H new ATOM 1011 N GLY A 65 -2.793 -11.108 15.863 1.00 0.00 N ATOM 1012 CA GLY A 65 -4.262 -10.916 15.963 1.00 0.00 C ATOM 1013 C GLY A 65 -4.654 -9.751 15.053 1.00 0.00 C ATOM 1014 O GLY A 65 -5.706 -9.744 14.443 1.00 0.00 O ATOM 0 H GLY A 65 -2.360 -10.686 15.042 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.785 -11.824 15.665 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.549 -10.707 16.994 1.00 0.00 H new ATOM 1018 N VAL A 66 -3.802 -8.763 14.971 1.00 0.00 N ATOM 1019 CA VAL A 66 -4.090 -7.573 14.118 1.00 0.00 C ATOM 1020 C VAL A 66 -4.096 -7.981 12.633 1.00 0.00 C ATOM 1021 O VAL A 66 -3.347 -8.842 12.221 1.00 0.00 O ATOM 1022 CB VAL A 66 -3.009 -6.505 14.360 1.00 0.00 C ATOM 1023 CG1 VAL A 66 -3.506 -5.137 13.888 1.00 0.00 C ATOM 1024 CG2 VAL A 66 -2.682 -6.433 15.856 1.00 0.00 C ATOM 0 H VAL A 66 -2.910 -8.730 15.464 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.069 -7.169 14.376 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.114 -6.776 13.799 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.733 -4.389 14.064 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.734 -5.180 12.823 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.406 -4.866 14.441 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.916 -5.676 16.025 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.581 -6.170 16.413 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.316 -7.402 16.195 1.00 0.00 H new ATOM 1034 N PRO A 67 -4.936 -7.366 11.832 1.00 0.00 N ATOM 1035 CA PRO A 67 -5.027 -7.668 10.381 1.00 0.00 C ATOM 1036 C PRO A 67 -4.028 -6.851 9.548 1.00 0.00 C ATOM 1037 O PRO A 67 -3.938 -5.648 9.675 1.00 0.00 O ATOM 1038 CB PRO A 67 -6.462 -7.278 10.026 1.00 0.00 C ATOM 1039 CG PRO A 67 -6.876 -6.249 11.035 1.00 0.00 C ATOM 1040 CD PRO A 67 -5.898 -6.323 12.216 1.00 0.00 C ATOM 0 HA PRO A 67 -4.788 -8.710 10.168 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.517 -6.876 9.014 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.121 -8.145 10.061 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.863 -5.253 10.591 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.896 -6.435 11.372 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.402 -5.367 12.381 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.413 -6.579 13.142 1.00 0.00 H new ATOM 1048 N THR A 68 -3.287 -7.505 8.694 1.00 0.00 N ATOM 1049 CA THR A 68 -2.294 -6.791 7.834 1.00 0.00 C ATOM 1050 C THR A 68 -2.802 -6.804 6.390 1.00 0.00 C ATOM 1051 O THR A 68 -3.409 -7.764 5.954 1.00 0.00 O ATOM 1052 CB THR A 68 -0.946 -7.514 7.918 1.00 0.00 C ATOM 1053 OG1 THR A 68 -0.975 -8.677 7.101 1.00 0.00 O ATOM 1054 CG2 THR A 68 -0.679 -7.916 9.369 1.00 0.00 C ATOM 0 H THR A 68 -3.327 -8.514 8.553 1.00 0.00 H new ATOM 0 HA THR A 68 -2.169 -5.762 8.171 1.00 0.00 H new ATOM 0 HB THR A 68 -0.155 -6.850 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.111 -9.137 7.155 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.280 -8.431 9.433 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.655 -7.024 9.995 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.471 -8.580 9.714 1.00 0.00 H new ATOM 1062 N LEU A 69 -2.576 -5.753 5.641 1.00 0.00 N ATOM 1063 CA LEU A 69 -3.066 -5.722 4.232 1.00 0.00 C ATOM 1064 C LEU A 69 -1.918 -6.054 3.274 1.00 0.00 C ATOM 1065 O LEU A 69 -0.925 -5.358 3.213 1.00 0.00 O ATOM 1066 CB LEU A 69 -3.603 -4.319 3.916 1.00 0.00 C ATOM 1067 CG LEU A 69 -5.098 -4.388 3.569 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -5.307 -5.270 2.333 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -5.877 -4.971 4.754 1.00 0.00 C ATOM 0 H LEU A 69 -2.075 -4.918 5.945 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.859 -6.459 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.451 -3.662 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.048 -3.889 3.082 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.461 -3.382 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.369 -5.314 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.761 -4.848 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.939 -6.275 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.937 -5.019 4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.510 -5.974 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.738 -4.336 5.629 1.00 0.00 H new ATOM 1081 N THR A 70 -2.052 -7.111 2.522 1.00 0.00 N ATOM 1082 CA THR A 70 -0.977 -7.491 1.561 1.00 0.00 C ATOM 1083 C THR A 70 -0.717 -6.330 0.597 1.00 0.00 C ATOM 1084 O THR A 70 -1.628 -5.821 -0.029 1.00 0.00 O ATOM 1085 CB THR A 70 -1.433 -8.713 0.760 1.00 0.00 C ATOM 1086 OG1 THR A 70 -2.065 -9.640 1.631 1.00 0.00 O ATOM 1087 CG2 THR A 70 -0.226 -9.377 0.093 1.00 0.00 C ATOM 0 H THR A 70 -2.862 -7.731 2.531 1.00 0.00 H new ATOM 0 HA THR A 70 -0.063 -7.722 2.108 1.00 0.00 H new ATOM 0 HB THR A 70 -2.137 -8.397 -0.009 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.359 -10.422 1.119 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.557 -10.246 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.256 -8.666 -0.578 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.484 -9.692 0.857 1.00 0.00 H new ATOM 1095 N GLU A 71 0.517 -5.914 0.458 1.00 0.00 N ATOM 1096 CA GLU A 71 0.820 -4.797 -0.482 1.00 0.00 C ATOM 1097 C GLU A 71 0.630 -5.298 -1.915 1.00 0.00 C ATOM 1098 O GLU A 71 0.427 -4.527 -2.831 1.00 0.00 O ATOM 1099 CB GLU A 71 2.265 -4.326 -0.287 1.00 0.00 C ATOM 1100 CG GLU A 71 2.426 -2.906 -0.845 1.00 0.00 C ATOM 1101 CD GLU A 71 2.970 -2.967 -2.276 1.00 0.00 C ATOM 1102 OE1 GLU A 71 4.103 -3.392 -2.441 1.00 0.00 O ATOM 1103 OE2 GLU A 71 2.247 -2.584 -3.183 1.00 0.00 O ATOM 0 H GLU A 71 1.322 -6.298 0.953 1.00 0.00 H new ATOM 0 HA GLU A 71 0.150 -3.960 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.523 -4.342 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.951 -5.006 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.466 -2.390 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.104 -2.332 -0.213 1.00 0.00 H new ATOM 1110 N GLU A 72 0.685 -6.593 -2.109 1.00 0.00 N ATOM 1111 CA GLU A 72 0.497 -7.159 -3.478 1.00 0.00 C ATOM 1112 C GLU A 72 -0.820 -6.637 -4.053 1.00 0.00 C ATOM 1113 O GLU A 72 -0.856 -6.079 -5.132 1.00 0.00 O ATOM 1114 CB GLU A 72 0.457 -8.689 -3.404 1.00 0.00 C ATOM 1115 CG GLU A 72 1.812 -9.220 -2.923 1.00 0.00 C ATOM 1116 CD GLU A 72 2.847 -9.078 -4.043 1.00 0.00 C ATOM 1117 OE1 GLU A 72 2.889 -9.948 -4.899 1.00 0.00 O ATOM 1118 OE2 GLU A 72 3.580 -8.103 -4.026 1.00 0.00 O ATOM 0 H GLU A 72 0.852 -7.282 -1.376 1.00 0.00 H new ATOM 0 HA GLU A 72 1.325 -6.857 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.332 -9.009 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.220 -9.104 -4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.138 -8.668 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.721 -10.266 -2.629 1.00 0.00 H new ATOM 1125 N GLU A 73 -1.902 -6.809 -3.334 1.00 0.00 N ATOM 1126 CA GLU A 73 -3.223 -6.314 -3.825 1.00 0.00 C ATOM 1127 C GLU A 73 -3.085 -4.844 -4.227 1.00 0.00 C ATOM 1128 O GLU A 73 -3.600 -4.416 -5.243 1.00 0.00 O ATOM 1129 CB GLU A 73 -4.262 -6.442 -2.707 1.00 0.00 C ATOM 1130 CG GLU A 73 -5.666 -6.202 -3.273 1.00 0.00 C ATOM 1131 CD GLU A 73 -6.637 -5.895 -2.129 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -6.784 -6.740 -1.259 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -7.218 -4.820 -2.142 1.00 0.00 O ATOM 0 H GLU A 73 -1.926 -7.272 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.543 -6.903 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.206 -7.433 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.050 -5.721 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.647 -5.372 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.002 -7.081 -3.823 1.00 0.00 H new ATOM 1140 N LEU A 74 -2.378 -4.074 -3.440 1.00 0.00 N ATOM 1141 CA LEU A 74 -2.185 -2.635 -3.773 1.00 0.00 C ATOM 1142 C LEU A 74 -1.372 -2.534 -5.066 1.00 0.00 C ATOM 1143 O LEU A 74 -1.626 -1.696 -5.908 1.00 0.00 O ATOM 1144 CB LEU A 74 -1.436 -1.941 -2.621 1.00 0.00 C ATOM 1145 CG LEU A 74 -0.691 -0.698 -3.134 1.00 0.00 C ATOM 1146 CD1 LEU A 74 -1.694 0.325 -3.672 1.00 0.00 C ATOM 1147 CD2 LEU A 74 0.103 -0.070 -1.984 1.00 0.00 C ATOM 0 H LEU A 74 -1.926 -4.383 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.150 -2.147 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.142 -1.653 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.728 -2.636 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.012 -0.993 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.159 1.203 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.261 -0.117 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.377 0.619 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.632 0.812 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.580 0.219 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.823 -0.793 -1.601 1.00 0.00 H new ATOM 1159 N TYR A 75 -0.402 -3.393 -5.233 1.00 0.00 N ATOM 1160 CA TYR A 75 0.423 -3.353 -6.471 1.00 0.00 C ATOM 1161 C TYR A 75 -0.422 -3.801 -7.666 1.00 0.00 C ATOM 1162 O TYR A 75 -0.211 -3.363 -8.781 1.00 0.00 O ATOM 1163 CB TYR A 75 1.626 -4.287 -6.312 1.00 0.00 C ATOM 1164 CG TYR A 75 2.789 -3.748 -7.111 1.00 0.00 C ATOM 1165 CD1 TYR A 75 3.605 -2.745 -6.571 1.00 0.00 C ATOM 1166 CD2 TYR A 75 3.051 -4.248 -8.393 1.00 0.00 C ATOM 1167 CE1 TYR A 75 4.680 -2.243 -7.313 1.00 0.00 C ATOM 1168 CE2 TYR A 75 4.127 -3.745 -9.134 1.00 0.00 C ATOM 1169 CZ TYR A 75 4.942 -2.743 -8.594 1.00 0.00 C ATOM 1170 OH TYR A 75 6.002 -2.248 -9.324 1.00 0.00 O ATOM 0 H TYR A 75 -0.147 -4.120 -4.565 1.00 0.00 H new ATOM 0 HA TYR A 75 0.774 -2.335 -6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.900 -4.369 -5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.369 -5.290 -6.654 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.404 -2.359 -5.582 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.423 -5.021 -8.810 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.308 -1.469 -6.897 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.328 -4.130 -10.123 1.00 0.00 H new ATOM 0 HH TYR A 75 6.044 -2.704 -10.191 1.00 0.00 H new ATOM 1180 N ARG A 76 -1.377 -4.669 -7.446 1.00 0.00 N ATOM 1181 CA ARG A 76 -2.233 -5.144 -8.570 1.00 0.00 C ATOM 1182 C ARG A 76 -3.146 -4.008 -9.038 1.00 0.00 C ATOM 1183 O ARG A 76 -2.927 -3.423 -10.081 1.00 0.00 O ATOM 1184 CB ARG A 76 -3.085 -6.328 -8.096 1.00 0.00 C ATOM 1185 CG ARG A 76 -3.913 -6.871 -9.265 1.00 0.00 C ATOM 1186 CD ARG A 76 -4.878 -7.944 -8.756 1.00 0.00 C ATOM 1187 NE ARG A 76 -5.656 -8.498 -9.901 1.00 0.00 N ATOM 1188 CZ ARG A 76 -5.197 -9.521 -10.569 1.00 0.00 C ATOM 1189 NH1 ARG A 76 -5.402 -10.732 -10.129 1.00 0.00 N ATOM 1190 NH2 ARG A 76 -4.536 -9.333 -11.677 1.00 0.00 N ATOM 0 H ARG A 76 -1.599 -5.069 -6.534 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.600 -5.460 -9.399 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.443 -7.113 -7.697 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.744 -6.013 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.470 -6.061 -9.737 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.255 -7.291 -10.026 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.324 -8.741 -8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.555 -7.518 -8.015 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.548 -8.077 -10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.921 -10.879 -9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.043 -11.532 -10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.377 -8.386 -12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.177 -10.133 -12.199 1.00 0.00 H new ATOM 1204 N LEU A 77 -4.188 -3.719 -8.294 1.00 0.00 N ATOM 1205 CA LEU A 77 -5.141 -2.649 -8.711 1.00 0.00 C ATOM 1206 C LEU A 77 -4.380 -1.385 -9.126 1.00 0.00 C ATOM 1207 O LEU A 77 -4.864 -0.605 -9.921 1.00 0.00 O ATOM 1208 CB LEU A 77 -6.100 -2.341 -7.557 1.00 0.00 C ATOM 1209 CG LEU A 77 -7.021 -3.551 -7.339 1.00 0.00 C ATOM 1210 CD1 LEU A 77 -7.438 -3.634 -5.869 1.00 0.00 C ATOM 1211 CD2 LEU A 77 -8.269 -3.410 -8.218 1.00 0.00 C ATOM 0 H LEU A 77 -4.417 -4.181 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.715 -2.997 -9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.539 -2.126 -6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.691 -1.454 -7.784 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.484 -4.460 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.091 -4.495 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.551 -3.742 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.970 -2.724 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.922 -4.269 -8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.801 -2.497 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.973 -3.364 -9.266 1.00 0.00 H new ATOM 1223 N LEU A 78 -3.183 -1.190 -8.633 1.00 0.00 N ATOM 1224 CA LEU A 78 -2.401 0.009 -9.053 1.00 0.00 C ATOM 1225 C LEU A 78 -2.164 -0.091 -10.560 1.00 0.00 C ATOM 1226 O LEU A 78 -2.666 0.701 -11.329 1.00 0.00 O ATOM 1227 CB LEU A 78 -1.058 0.035 -8.316 1.00 0.00 C ATOM 1228 CG LEU A 78 -0.190 1.189 -8.833 1.00 0.00 C ATOM 1229 CD1 LEU A 78 -0.669 2.512 -8.227 1.00 0.00 C ATOM 1230 CD2 LEU A 78 1.267 0.944 -8.429 1.00 0.00 C ATOM 0 H LEU A 78 -2.718 -1.804 -7.964 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.945 0.923 -8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.225 0.148 -7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.538 -0.912 -8.459 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.269 1.242 -9.919 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.049 3.328 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.707 2.687 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.593 2.463 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.888 1.762 -8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.339 0.891 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.612 0.005 -8.862 1.00 0.00 H new ATOM 1242 N GLU A 79 -1.413 -1.075 -10.982 1.00 0.00 N ATOM 1243 CA GLU A 79 -1.151 -1.251 -12.442 1.00 0.00 C ATOM 1244 C GLU A 79 -2.489 -1.474 -13.155 1.00 0.00 C ATOM 1245 O GLU A 79 -2.805 -0.816 -14.127 1.00 0.00 O ATOM 1246 CB GLU A 79 -0.238 -2.464 -12.660 1.00 0.00 C ATOM 1247 CG GLU A 79 0.988 -2.370 -11.742 1.00 0.00 C ATOM 1248 CD GLU A 79 1.899 -1.228 -12.206 1.00 0.00 C ATOM 1249 OE1 GLU A 79 1.576 -0.084 -11.925 1.00 0.00 O ATOM 1250 OE2 GLU A 79 2.907 -1.518 -12.830 1.00 0.00 O ATOM 0 H GLU A 79 -0.969 -1.766 -10.377 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.660 -0.364 -12.843 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.786 -3.384 -12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.080 -2.508 -13.702 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.671 -2.199 -10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.536 -3.312 -11.754 1.00 0.00 H new ATOM 1257 N ALA A 80 -3.276 -2.402 -12.667 1.00 0.00 N ATOM 1258 CA ALA A 80 -4.607 -2.693 -13.285 1.00 0.00 C ATOM 1259 C ALA A 80 -5.443 -1.410 -13.389 1.00 0.00 C ATOM 1260 O ALA A 80 -6.447 -1.375 -14.073 1.00 0.00 O ATOM 1261 CB ALA A 80 -5.353 -3.718 -12.426 1.00 0.00 C ATOM 0 H ALA A 80 -3.049 -2.977 -11.856 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.450 -3.092 -14.287 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.323 -3.931 -12.875 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.770 -4.637 -12.368 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.498 -3.316 -11.423 1.00 0.00 H new ATOM 1267 N ARG A 81 -5.029 -0.354 -12.736 1.00 0.00 N ATOM 1268 CA ARG A 81 -5.789 0.929 -12.818 1.00 0.00 C ATOM 1269 C ARG A 81 -4.915 1.974 -13.514 1.00 0.00 C ATOM 1270 O ARG A 81 -5.394 2.789 -14.278 1.00 0.00 O ATOM 1271 CB ARG A 81 -6.147 1.415 -11.410 1.00 0.00 C ATOM 1272 CG ARG A 81 -7.154 2.566 -11.502 1.00 0.00 C ATOM 1273 CD ARG A 81 -6.790 3.652 -10.489 1.00 0.00 C ATOM 1274 NE ARG A 81 -7.648 4.849 -10.717 1.00 0.00 N ATOM 1275 CZ ARG A 81 -8.724 5.029 -10.001 1.00 0.00 C ATOM 1276 NH1 ARG A 81 -9.728 4.202 -10.112 1.00 0.00 N ATOM 1277 NH2 ARG A 81 -8.794 6.037 -9.175 1.00 0.00 N ATOM 0 H ARG A 81 -4.196 -0.325 -12.149 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.709 0.775 -13.382 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.569 0.595 -10.828 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.248 1.746 -10.889 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.155 2.981 -12.510 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.161 2.197 -11.308 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.929 3.279 -9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.738 3.920 -10.589 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.394 5.529 -11.434 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.671 3.415 -10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.569 4.343 -9.552 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.009 6.682 -9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.634 6.180 -8.614 1.00 0.00 H new ATOM 1291 N THR A 82 -3.632 1.944 -13.261 1.00 0.00 N ATOM 1292 CA THR A 82 -2.714 2.922 -13.913 1.00 0.00 C ATOM 1293 C THR A 82 -2.612 2.591 -15.404 1.00 0.00 C ATOM 1294 O THR A 82 -2.715 3.456 -16.252 1.00 0.00 O ATOM 1295 CB THR A 82 -1.327 2.819 -13.268 1.00 0.00 C ATOM 1296 OG1 THR A 82 -1.414 3.203 -11.902 1.00 0.00 O ATOM 1297 CG2 THR A 82 -0.345 3.740 -13.997 1.00 0.00 C ATOM 0 H THR A 82 -3.181 1.282 -12.629 1.00 0.00 H new ATOM 0 HA THR A 82 -3.098 3.935 -13.788 1.00 0.00 H new ATOM 0 HB THR A 82 -0.972 1.791 -13.338 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.842 2.487 -11.387 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.639 3.662 -13.534 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.278 3.444 -15.044 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.696 4.770 -13.933 1.00 0.00 H new ATOM 1305 N GLY A 83 -2.404 1.340 -15.721 1.00 0.00 N ATOM 1306 CA GLY A 83 -2.287 0.933 -17.151 1.00 0.00 C ATOM 1307 C GLY A 83 -0.844 1.134 -17.617 1.00 0.00 C ATOM 1308 O GLY A 83 -0.561 1.160 -18.799 1.00 0.00 O ATOM 0 H GLY A 83 -2.310 0.580 -15.047 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.577 -0.111 -17.269 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.966 1.524 -17.766 1.00 0.00 H new ATOM 1312 N LYS A 84 0.069 1.277 -16.691 1.00 0.00 N ATOM 1313 CA LYS A 84 1.500 1.479 -17.062 1.00 0.00 C ATOM 1314 C LYS A 84 2.392 0.942 -15.939 1.00 0.00 C ATOM 1315 O LYS A 84 1.940 0.702 -14.835 1.00 0.00 O ATOM 1316 CB LYS A 84 1.765 2.976 -17.258 1.00 0.00 C ATOM 1317 CG LYS A 84 3.208 3.193 -17.724 1.00 0.00 C ATOM 1318 CD LYS A 84 3.410 4.661 -18.108 1.00 0.00 C ATOM 1319 CE LYS A 84 4.901 5.002 -18.063 1.00 0.00 C ATOM 1320 NZ LYS A 84 5.619 4.236 -19.122 1.00 0.00 N ATOM 0 H LYS A 84 -0.117 1.262 -15.688 1.00 0.00 H new ATOM 0 HA LYS A 84 1.721 0.947 -17.988 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.071 3.384 -17.993 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.591 3.510 -16.324 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.902 2.916 -16.931 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.426 2.550 -18.577 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.015 4.844 -19.107 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.858 5.306 -17.424 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.045 6.072 -18.213 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.311 4.759 -17.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.594 4.589 -19.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.637 3.227 -18.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.128 4.357 -20.031 1.00 0.00 H new ATOM 1334 N LYS A 85 3.657 0.756 -16.211 1.00 0.00 N ATOM 1335 CA LYS A 85 4.586 0.242 -15.163 1.00 0.00 C ATOM 1336 C LYS A 85 4.657 1.250 -14.013 1.00 0.00 C ATOM 1337 O LYS A 85 4.691 2.446 -14.230 1.00 0.00 O ATOM 1338 CB LYS A 85 5.986 0.057 -15.760 1.00 0.00 C ATOM 1339 CG LYS A 85 5.893 -0.707 -17.087 1.00 0.00 C ATOM 1340 CD LYS A 85 6.141 0.254 -18.255 1.00 0.00 C ATOM 1341 CE LYS A 85 7.646 0.372 -18.517 1.00 0.00 C ATOM 1342 NZ LYS A 85 8.077 -0.715 -19.442 1.00 0.00 N ATOM 0 H LYS A 85 4.088 0.939 -17.117 1.00 0.00 H new ATOM 0 HA LYS A 85 4.220 -0.716 -14.793 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.453 1.029 -15.922 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.620 -0.488 -15.060 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.626 -1.514 -17.105 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.910 -1.167 -17.185 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.634 -0.107 -19.150 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.724 1.235 -18.026 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.875 1.345 -18.951 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.196 0.304 -17.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.982 -1.110 -19.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.357 -1.465 -19.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.194 -0.329 -20.401 1.00 0.00 H new ATOM 1356 N ALA A 86 4.692 0.778 -12.794 1.00 0.00 N ATOM 1357 CA ALA A 86 4.773 1.711 -11.634 1.00 0.00 C ATOM 1358 C ALA A 86 6.207 2.230 -11.513 1.00 0.00 C ATOM 1359 O ALA A 86 6.452 3.289 -10.969 1.00 0.00 O ATOM 1360 CB ALA A 86 4.388 0.969 -10.352 1.00 0.00 C ATOM 0 H ALA A 86 4.668 -0.213 -12.553 1.00 0.00 H new ATOM 0 HA ALA A 86 4.089 2.546 -11.784 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.448 1.652 -9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.370 0.591 -10.442 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.072 0.135 -10.195 1.00 0.00 H new ATOM 1366 N GLU A 87 7.154 1.490 -12.031 1.00 0.00 N ATOM 1367 CA GLU A 87 8.577 1.931 -11.968 1.00 0.00 C ATOM 1368 C GLU A 87 8.854 2.893 -13.125 1.00 0.00 C ATOM 1369 O GLU A 87 9.709 3.750 -13.038 1.00 0.00 O ATOM 1370 CB GLU A 87 9.498 0.713 -12.083 1.00 0.00 C ATOM 1371 CG GLU A 87 9.248 -0.234 -10.906 1.00 0.00 C ATOM 1372 CD GLU A 87 10.175 -1.448 -11.017 1.00 0.00 C ATOM 1373 OE1 GLU A 87 11.377 -1.265 -10.905 1.00 0.00 O ATOM 1374 OE2 GLU A 87 9.667 -2.541 -11.213 1.00 0.00 O ATOM 0 H GLU A 87 7.000 0.596 -12.497 1.00 0.00 H new ATOM 0 HA GLU A 87 8.764 2.433 -11.019 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.316 0.195 -13.025 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.540 1.032 -12.091 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.424 0.286 -9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.207 -0.558 -10.901 1.00 0.00 H new ATOM 1381 N GLU A 88 8.128 2.749 -14.208 1.00 0.00 N ATOM 1382 CA GLU A 88 8.323 3.642 -15.392 1.00 0.00 C ATOM 1383 C GLU A 88 9.690 3.369 -16.031 1.00 0.00 C ATOM 1384 O GLU A 88 10.282 4.236 -16.647 1.00 0.00 O ATOM 1385 CB GLU A 88 8.229 5.115 -14.965 1.00 0.00 C ATOM 1386 CG GLU A 88 7.028 5.309 -14.033 1.00 0.00 C ATOM 1387 CD GLU A 88 6.630 6.787 -14.012 1.00 0.00 C ATOM 1388 OE1 GLU A 88 5.915 7.201 -14.910 1.00 0.00 O ATOM 1389 OE2 GLU A 88 7.048 7.481 -13.098 1.00 0.00 O ATOM 0 H GLU A 88 7.401 2.043 -14.322 1.00 0.00 H new ATOM 0 HA GLU A 88 7.540 3.437 -16.122 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.146 5.416 -14.459 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.126 5.752 -15.843 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.189 4.701 -14.372 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.278 4.975 -13.026 1.00 0.00 H new ATOM 1396 N LEU A 89 10.189 2.166 -15.898 1.00 0.00 N ATOM 1397 CA LEU A 89 11.512 1.824 -16.504 1.00 0.00 C ATOM 1398 C LEU A 89 11.640 0.297 -16.619 1.00 0.00 C ATOM 1399 O LEU A 89 10.790 -0.353 -17.197 1.00 0.00 O ATOM 1400 CB LEU A 89 12.652 2.398 -15.642 1.00 0.00 C ATOM 1401 CG LEU A 89 12.373 2.163 -14.148 1.00 0.00 C ATOM 1402 CD1 LEU A 89 13.358 1.131 -13.587 1.00 0.00 C ATOM 1403 CD2 LEU A 89 12.543 3.483 -13.388 1.00 0.00 C ATOM 0 H LEU A 89 9.736 1.404 -15.394 1.00 0.00 H new ATOM 0 HA LEU A 89 11.581 2.263 -17.499 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.596 1.929 -15.919 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.758 3.466 -15.834 1.00 0.00 H new ATOM 0 HG LEU A 89 11.355 1.792 -14.029 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.153 0.971 -12.528 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.245 0.190 -14.125 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.377 1.498 -13.708 1.00 0.00 H new ATOM 0 HD21 LEU A 89 12.346 3.321 -12.328 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.562 3.848 -13.516 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.842 4.221 -13.779 1.00 0.00 H new ATOM 1415 N VAL A 90 12.689 -0.277 -16.076 1.00 0.00 N ATOM 1416 CA VAL A 90 12.884 -1.761 -16.147 1.00 0.00 C ATOM 1417 C VAL A 90 13.057 -2.191 -17.610 1.00 0.00 C ATOM 1418 O VAL A 90 14.162 -2.374 -18.083 1.00 0.00 O ATOM 1419 CB VAL A 90 11.678 -2.485 -15.526 1.00 0.00 C ATOM 1420 CG1 VAL A 90 11.991 -3.978 -15.393 1.00 0.00 C ATOM 1421 CG2 VAL A 90 11.388 -1.905 -14.137 1.00 0.00 C ATOM 0 H VAL A 90 13.426 0.226 -15.581 1.00 0.00 H new ATOM 0 HA VAL A 90 13.780 -2.028 -15.586 1.00 0.00 H new ATOM 0 HB VAL A 90 10.807 -2.348 -16.167 1.00 0.00 H new ATOM 0 HG11 VAL A 90 11.136 -4.491 -14.953 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.197 -4.396 -16.378 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.863 -4.111 -14.753 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.533 -2.420 -13.699 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.260 -2.040 -13.497 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.165 -0.842 -14.226 1.00 0.00 H new ATOM 1431 N GLY A 91 11.974 -2.352 -18.326 1.00 0.00 N ATOM 1432 CA GLY A 91 12.072 -2.768 -19.755 1.00 0.00 C ATOM 1433 C GLY A 91 10.750 -3.396 -20.197 1.00 0.00 C ATOM 1434 O GLY A 91 9.733 -2.734 -20.274 1.00 0.00 O ATOM 0 H GLY A 91 11.024 -2.213 -17.981 1.00 0.00 H new ATOM 0 HA2 GLY A 91 12.304 -1.906 -20.380 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.886 -3.482 -19.882 1.00 0.00 H new ATOM 1438 N SER A 92 10.759 -4.670 -20.490 1.00 0.00 N ATOM 1439 CA SER A 92 9.507 -5.350 -20.930 1.00 0.00 C ATOM 1440 C SER A 92 9.540 -6.812 -20.477 1.00 0.00 C ATOM 1441 O SER A 92 8.489 -7.330 -20.138 1.00 0.00 O ATOM 1442 CB SER A 92 9.405 -5.291 -22.455 1.00 0.00 C ATOM 1443 OG SER A 92 8.116 -5.736 -22.857 1.00 0.00 O ATOM 0 H SER A 92 11.583 -5.270 -20.443 1.00 0.00 H new ATOM 0 HA SER A 92 8.644 -4.850 -20.489 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.576 -4.272 -22.803 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.175 -5.916 -22.907 1.00 0.00 H new ATOM 0 HG SER A 92 8.047 -5.698 -23.834 1.00 0.00 H new TER 1449 SER A 92