USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 18 GLN :FLIP amide:sc= 0.926 F(o=-12,f=-6.5) USER MOD Set 1.2: A 37 LYS NZ :NH3+ -175:sc= 0.329 (180deg=-0.226) USER MOD Set 1.3: A 38 CYS SG : rot -79:sc= -7.71! USER MOD Set 2.1: A 9 SER OG : rot 101:sc= 0.387 USER MOD Set 2.2: A 11 GLN :FLIP amide:sc= 0.0429 F(o=-0.37,f=0.43) USER MOD Single : A 0 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= -0.105 (180deg=-0.501) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -64:sc= 0.633 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -125:sc= -0.927 (180deg=-1.65!) USER MOD Single : A 24 GLN : amide:sc= -3.47! C(o=-3.5!,f=-4.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -4.88! C(o=-4.9!,f=-15!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -131:sc= 0.0738 (180deg=-0.229) USER MOD Single : A 36 LYS NZ :NH3+ -121:sc= 0.0407 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.76 USER MOD Single : A 44 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A -3 -10.449 13.362 -7.155 1.00 0.00 N ATOM 2 CA LYS A -3 -8.986 13.502 -6.932 1.00 0.00 C ATOM 3 C LYS A -3 -8.239 12.243 -7.362 1.00 0.00 C ATOM 4 O LYS A -3 -8.295 11.215 -6.688 1.00 0.00 O ATOM 5 CB LYS A -3 -8.746 13.782 -5.446 1.00 0.00 C ATOM 6 CG LYS A -3 -7.932 15.039 -5.187 1.00 0.00 C ATOM 7 CD LYS A -3 -7.486 15.125 -3.737 1.00 0.00 C ATOM 8 CE LYS A -3 -6.107 15.753 -3.615 1.00 0.00 C ATOM 9 NZ LYS A -3 -5.289 15.098 -2.557 1.00 0.00 N ATOM 0 H1 LYS A -3 -10.931 14.233 -6.854 1.00 0.00 H new ATOM 0 H2 LYS A -3 -10.632 13.197 -8.165 1.00 0.00 H new ATOM 0 H3 LYS A -3 -10.809 12.558 -6.602 1.00 0.00 H new ATOM 0 HA LYS A -3 -8.608 14.327 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A -3 -9.708 13.872 -4.942 1.00 0.00 H new ATOM 0 HB3 LYS A -3 -8.232 12.929 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS A -3 -7.058 15.049 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A -3 -8.527 15.917 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A -3 -8.206 15.713 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A -3 -7.472 14.127 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A -3 -5.589 15.680 -4.571 1.00 0.00 H new ATOM 0 HE3 LYS A -3 -6.210 16.814 -3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A -3 -4.356 15.556 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A -3 -5.770 15.190 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A -3 -5.168 14.091 -2.785 1.00 0.00 H new ATOM 25 N LYS A -2 -7.540 12.332 -8.489 1.00 0.00 N ATOM 26 CA LYS A -2 -6.782 11.200 -9.010 1.00 0.00 C ATOM 27 C LYS A -2 -5.430 11.651 -9.555 1.00 0.00 C ATOM 28 O LYS A -2 -4.403 11.031 -9.279 1.00 0.00 O ATOM 29 CB LYS A -2 -7.576 10.490 -10.107 1.00 0.00 C ATOM 30 CG LYS A -2 -8.953 10.025 -9.657 1.00 0.00 C ATOM 31 CD LYS A -2 -9.270 8.631 -10.175 1.00 0.00 C ATOM 32 CE LYS A -2 -9.948 7.781 -9.111 1.00 0.00 C ATOM 33 NZ LYS A -2 -11.071 6.980 -9.673 1.00 0.00 N ATOM 0 H LYS A -2 -7.483 13.176 -9.059 1.00 0.00 H new ATOM 0 HA LYS A -2 -6.607 10.505 -8.189 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -7.689 11.164 -10.957 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -7.007 9.629 -10.457 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -9.001 10.029 -8.568 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -9.708 10.726 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -9.917 8.705 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -8.350 8.144 -10.499 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -9.215 7.112 -8.659 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -10.324 8.426 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -11.507 6.415 -8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.783 7.619 -10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -10.709 6.346 -10.414 1.00 0.00 H new ATOM 47 N GLU A -1 -5.440 12.736 -10.330 1.00 0.00 N ATOM 48 CA GLU A -1 -4.218 13.284 -10.925 1.00 0.00 C ATOM 49 C GLU A -1 -3.340 12.180 -11.524 1.00 0.00 C ATOM 50 O GLU A -1 -3.496 11.823 -12.691 1.00 0.00 O ATOM 51 CB GLU A -1 -3.423 14.104 -9.897 1.00 0.00 C ATOM 52 CG GLU A -1 -3.692 13.726 -8.447 1.00 0.00 C ATOM 53 CD GLU A -1 -3.004 14.652 -7.465 1.00 0.00 C ATOM 54 OE1 GLU A -1 -2.814 15.841 -7.802 1.00 0.00 O ATOM 55 OE2 GLU A -1 -2.654 14.192 -6.358 1.00 0.00 O ATOM 0 H GLU A -1 -6.286 13.256 -10.562 1.00 0.00 H new ATOM 0 HA GLU A -1 -4.521 13.948 -11.735 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -2.359 13.984 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -3.656 15.160 -10.034 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -4.766 13.743 -8.265 1.00 0.00 H new ATOM 0 HG3 GLU A -1 -3.355 12.704 -8.274 1.00 0.00 H new ATOM 62 N LYS A 0 -2.420 11.643 -10.725 1.00 0.00 N ATOM 63 CA LYS A 0 -1.529 10.585 -11.189 1.00 0.00 C ATOM 64 C LYS A 0 -2.076 9.210 -10.815 1.00 0.00 C ATOM 65 O LYS A 0 -3.145 9.100 -10.213 1.00 0.00 O ATOM 66 CB LYS A 0 -0.129 10.775 -10.599 1.00 0.00 C ATOM 67 CG LYS A 0 0.954 10.957 -11.650 1.00 0.00 C ATOM 68 CD LYS A 0 0.886 12.336 -12.288 1.00 0.00 C ATOM 69 CE LYS A 0 0.235 12.283 -13.662 1.00 0.00 C ATOM 70 NZ LYS A 0 -0.686 13.432 -13.885 1.00 0.00 N ATOM 0 H LYS A 0 -2.273 11.923 -9.755 1.00 0.00 H new ATOM 0 HA LYS A 0 -1.466 10.644 -12.276 1.00 0.00 H new ATOM 0 HB2 LYS A 0 -0.136 11.644 -9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 0 0.117 9.911 -9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 0 1.933 10.814 -11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 0 0.847 10.193 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 0 0.322 13.009 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 0 1.892 12.747 -12.376 1.00 0.00 H new ATOM 0 HE2 LYS A 0 1.008 12.283 -14.430 1.00 0.00 H new ATOM 0 HE3 LYS A 0 -0.318 11.349 -13.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 0 -1.109 13.359 -14.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 0 -1.439 13.418 -13.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 0 -0.154 14.323 -13.811 1.00 0.00 H new ATOM 84 N SER A 1 -1.338 8.166 -11.175 1.00 0.00 N ATOM 85 CA SER A 1 -1.751 6.799 -10.876 1.00 0.00 C ATOM 86 C SER A 1 -0.709 5.790 -11.361 1.00 0.00 C ATOM 87 O SER A 1 -0.133 5.053 -10.561 1.00 0.00 O ATOM 88 CB SER A 1 -3.109 6.500 -11.518 1.00 0.00 C ATOM 89 OG SER A 1 -4.022 5.985 -10.563 1.00 0.00 O ATOM 0 H SER A 1 -0.451 8.239 -11.674 1.00 0.00 H new ATOM 0 HA SER A 1 -1.840 6.705 -9.794 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.514 7.410 -11.960 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.982 5.782 -12.328 1.00 0.00 H new ATOM 0 HG SER A 1 -4.882 5.804 -10.997 1.00 0.00 H new ATOM 95 N PRO A 2 -0.452 5.742 -12.681 1.00 0.00 N ATOM 96 CA PRO A 2 0.525 4.814 -13.261 1.00 0.00 C ATOM 97 C PRO A 2 1.916 4.988 -12.662 1.00 0.00 C ATOM 98 O PRO A 2 2.135 5.854 -11.815 1.00 0.00 O ATOM 99 CB PRO A 2 0.534 5.171 -14.755 1.00 0.00 C ATOM 100 CG PRO A 2 -0.105 6.515 -14.844 1.00 0.00 C ATOM 101 CD PRO A 2 -1.087 6.580 -13.711 1.00 0.00 C ATOM 0 HA PRO A 2 0.257 3.776 -13.066 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.551 5.192 -15.148 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.018 4.434 -15.339 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.639 7.307 -14.762 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.606 6.646 -15.803 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.238 7.602 -13.364 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.065 6.194 -14.000 1.00 0.00 H new ATOM 109 N LYS A 3 2.854 4.158 -13.109 1.00 0.00 N ATOM 110 CA LYS A 3 4.226 4.215 -12.619 1.00 0.00 C ATOM 111 C LYS A 3 4.286 3.896 -11.128 1.00 0.00 C ATOM 112 O LYS A 3 4.103 4.775 -10.286 1.00 0.00 O ATOM 113 CB LYS A 3 4.830 5.597 -12.883 1.00 0.00 C ATOM 114 CG LYS A 3 6.241 5.545 -13.446 1.00 0.00 C ATOM 115 CD LYS A 3 7.131 6.610 -12.825 1.00 0.00 C ATOM 116 CE LYS A 3 6.602 8.008 -13.103 1.00 0.00 C ATOM 117 NZ LYS A 3 6.235 8.189 -14.535 1.00 0.00 N ATOM 0 H LYS A 3 2.688 3.437 -13.811 1.00 0.00 H new ATOM 0 HA LYS A 3 4.807 3.465 -13.156 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.189 6.138 -13.580 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.839 6.164 -11.952 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.670 4.560 -13.264 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.207 5.683 -14.527 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.194 6.451 -11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.142 6.517 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.729 8.197 -12.478 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.357 8.744 -12.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.107 9.202 -14.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.992 7.809 -15.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.348 7.683 -14.733 1.00 0.00 H new ATOM 131 N GLY A 4 4.544 2.631 -10.811 1.00 0.00 N ATOM 132 CA GLY A 4 4.624 2.216 -9.423 1.00 0.00 C ATOM 133 C GLY A 4 5.561 1.042 -9.221 1.00 0.00 C ATOM 134 O GLY A 4 5.154 -0.009 -8.725 1.00 0.00 O ATOM 0 H GLY A 4 4.699 1.886 -11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.962 3.055 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.629 1.947 -9.070 1.00 0.00 H new ATOM 138 N LYS A 5 6.820 1.219 -9.608 1.00 0.00 N ATOM 139 CA LYS A 5 7.819 0.167 -9.469 1.00 0.00 C ATOM 140 C LYS A 5 9.082 0.700 -8.800 1.00 0.00 C ATOM 141 O LYS A 5 9.515 1.820 -9.073 1.00 0.00 O ATOM 142 CB LYS A 5 8.164 -0.424 -10.838 1.00 0.00 C ATOM 143 CG LYS A 5 6.990 -1.104 -11.521 1.00 0.00 C ATOM 144 CD LYS A 5 7.387 -1.678 -12.871 1.00 0.00 C ATOM 145 CE LYS A 5 6.290 -1.483 -13.904 1.00 0.00 C ATOM 146 NZ LYS A 5 6.170 -2.654 -14.815 1.00 0.00 N ATOM 0 H LYS A 5 7.172 2.083 -10.021 1.00 0.00 H new ATOM 0 HA LYS A 5 7.398 -0.616 -8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.538 0.371 -11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.972 -1.146 -10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.609 -1.902 -10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.180 -0.387 -11.653 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.303 -1.198 -13.216 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.604 -2.741 -12.766 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.339 -1.319 -13.397 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.498 -0.587 -14.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.411 -2.481 -15.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.069 -2.796 -15.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.946 -3.504 -14.260 1.00 0.00 H new ATOM 160 N SER A 6 9.668 -0.108 -7.922 1.00 0.00 N ATOM 161 CA SER A 6 10.881 0.284 -7.214 1.00 0.00 C ATOM 162 C SER A 6 10.646 1.547 -6.392 1.00 0.00 C ATOM 163 O SER A 6 11.283 2.577 -6.618 1.00 0.00 O ATOM 164 CB SER A 6 12.024 0.508 -8.206 1.00 0.00 C ATOM 165 OG SER A 6 13.189 0.973 -7.545 1.00 0.00 O ATOM 0 H SER A 6 9.322 -1.038 -7.684 1.00 0.00 H new ATOM 0 HA SER A 6 11.154 -0.523 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.245 -0.423 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.718 1.231 -8.962 1.00 0.00 H new ATOM 0 HG SER A 6 13.014 1.855 -7.156 1.00 0.00 H new ATOM 171 N SER A 7 9.726 1.461 -5.437 1.00 0.00 N ATOM 172 CA SER A 7 9.404 2.596 -4.581 1.00 0.00 C ATOM 173 C SER A 7 9.890 2.362 -3.153 1.00 0.00 C ATOM 174 O SER A 7 10.153 3.311 -2.414 1.00 0.00 O ATOM 175 CB SER A 7 7.896 2.851 -4.583 1.00 0.00 C ATOM 176 OG SER A 7 7.456 3.302 -5.852 1.00 0.00 O ATOM 0 H SER A 7 9.190 0.617 -5.237 1.00 0.00 H new ATOM 0 HA SER A 7 9.916 3.473 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.369 1.935 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.649 3.593 -3.824 1.00 0.00 H new ATOM 0 HG SER A 7 6.488 3.456 -5.827 1.00 0.00 H new ATOM 182 N ILE A 8 10.006 1.094 -2.768 1.00 0.00 N ATOM 183 CA ILE A 8 10.456 0.745 -1.427 1.00 0.00 C ATOM 184 C ILE A 8 11.204 -0.588 -1.422 1.00 0.00 C ATOM 185 O ILE A 8 11.143 -1.350 -2.388 1.00 0.00 O ATOM 186 CB ILE A 8 9.267 0.674 -0.439 1.00 0.00 C ATOM 187 CG1 ILE A 8 9.763 0.776 1.004 1.00 0.00 C ATOM 188 CG2 ILE A 8 8.462 -0.606 -0.639 1.00 0.00 C ATOM 189 CD1 ILE A 8 8.697 1.224 1.979 1.00 0.00 C ATOM 0 H ILE A 8 9.795 0.294 -3.365 1.00 0.00 H new ATOM 0 HA ILE A 8 11.138 1.532 -1.104 1.00 0.00 H new ATOM 0 HB ILE A 8 8.610 1.520 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.146 -0.195 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.598 1.476 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.633 -0.629 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.072 -0.635 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.105 -1.470 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.120 1.274 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.331 2.209 1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.872 0.512 1.968 1.00 0.00 H new ATOM 201 N SER A 9 11.900 -0.862 -0.322 1.00 0.00 N ATOM 202 CA SER A 9 12.655 -2.104 -0.165 1.00 0.00 C ATOM 203 C SER A 9 11.760 -3.316 -0.456 1.00 0.00 C ATOM 204 O SER A 9 10.602 -3.147 -0.838 1.00 0.00 O ATOM 205 CB SER A 9 13.216 -2.175 1.260 1.00 0.00 C ATOM 206 OG SER A 9 12.973 -0.971 1.968 1.00 0.00 O ATOM 0 H SER A 9 11.957 -0.235 0.481 1.00 0.00 H new ATOM 0 HA SER A 9 13.481 -2.119 -0.877 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.761 -3.011 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.288 -2.368 1.222 1.00 0.00 H new ATOM 0 HG SER A 9 12.211 -1.095 2.572 1.00 0.00 H new ATOM 212 N PRO A 10 12.255 -4.559 -0.268 1.00 0.00 N ATOM 213 CA PRO A 10 11.445 -5.758 -0.510 1.00 0.00 C ATOM 214 C PRO A 10 10.103 -5.663 0.197 1.00 0.00 C ATOM 215 O PRO A 10 9.118 -6.275 -0.216 1.00 0.00 O ATOM 216 CB PRO A 10 12.287 -6.903 0.075 1.00 0.00 C ATOM 217 CG PRO A 10 13.348 -6.233 0.881 1.00 0.00 C ATOM 218 CD PRO A 10 13.596 -4.914 0.210 1.00 0.00 C ATOM 0 HA PRO A 10 11.218 -5.899 -1.567 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.679 -7.563 0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.720 -7.517 -0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.026 -6.093 1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.256 -6.835 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.992 -4.172 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.311 -5.000 -0.608 1.00 0.00 H new ATOM 226 N GLN A 11 10.073 -4.867 1.262 1.00 0.00 N ATOM 227 CA GLN A 11 8.862 -4.653 2.037 1.00 0.00 C ATOM 228 C GLN A 11 7.699 -4.272 1.129 1.00 0.00 C ATOM 229 O GLN A 11 6.544 -4.482 1.479 1.00 0.00 O ATOM 230 CB GLN A 11 9.103 -3.559 3.075 1.00 0.00 C ATOM 231 CG GLN A 11 10.147 -3.932 4.115 1.00 0.00 C ATOM 232 CD GLN A 11 11.243 -2.889 4.251 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.870 -1.617 4.159 1.00 0.00 O flip ATOM 234 NE2 GLN A 11 12.412 -3.225 4.437 1.00 0.00 N flip ATOM 0 H GLN A 11 10.885 -4.356 1.608 1.00 0.00 H new ATOM 0 HA GLN A 11 8.604 -5.581 2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.418 -2.648 2.566 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.163 -3.334 3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.659 -4.067 5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.594 -4.889 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.654 -4.214 4.501 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.139 -2.515 4.527 1.00 0.00 H new ATOM 243 N ALA A 12 8.001 -3.729 -0.047 1.00 0.00 N ATOM 244 CA ALA A 12 6.952 -3.356 -0.989 1.00 0.00 C ATOM 245 C ALA A 12 5.960 -4.504 -1.139 1.00 0.00 C ATOM 246 O ALA A 12 4.757 -4.338 -0.932 1.00 0.00 O ATOM 247 CB ALA A 12 7.554 -2.988 -2.337 1.00 0.00 C ATOM 0 H ALA A 12 8.951 -3.540 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 12 6.424 -2.484 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.757 -2.712 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.235 -2.146 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.101 -3.842 -2.736 1.00 0.00 H new ATOM 253 N ARG A 13 6.486 -5.677 -1.477 1.00 0.00 N ATOM 254 CA ARG A 13 5.667 -6.871 -1.631 1.00 0.00 C ATOM 255 C ARG A 13 5.392 -7.516 -0.275 1.00 0.00 C ATOM 256 O ARG A 13 4.309 -8.048 -0.043 1.00 0.00 O ATOM 257 CB ARG A 13 6.358 -7.875 -2.559 1.00 0.00 C ATOM 258 CG ARG A 13 7.573 -8.547 -1.937 1.00 0.00 C ATOM 259 CD ARG A 13 8.617 -8.902 -2.984 1.00 0.00 C ATOM 260 NE ARG A 13 8.766 -10.347 -3.142 1.00 0.00 N ATOM 261 CZ ARG A 13 9.345 -10.921 -4.194 1.00 0.00 C ATOM 262 NH1 ARG A 13 9.826 -10.178 -5.183 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.443 -12.241 -4.257 1.00 0.00 N ATOM 0 H ARG A 13 7.480 -5.825 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 13 4.716 -6.577 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.639 -8.641 -2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.664 -7.362 -3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.015 -7.884 -1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.261 -9.451 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.336 -8.460 -3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.576 -8.468 -2.701 1.00 0.00 H new ATOM 0 HE ARG A 13 8.405 -10.951 -2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.753 -9.162 -5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.269 -10.623 -5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.075 -12.816 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.887 -12.682 -5.063 1.00 0.00 H new ATOM 277 N ALA A 14 6.386 -7.471 0.612 1.00 0.00 N ATOM 278 CA ALA A 14 6.260 -8.059 1.945 1.00 0.00 C ATOM 279 C ALA A 14 5.205 -7.339 2.778 1.00 0.00 C ATOM 280 O ALA A 14 4.280 -7.962 3.300 1.00 0.00 O ATOM 281 CB ALA A 14 7.605 -8.036 2.657 1.00 0.00 C ATOM 0 H ALA A 14 7.289 -7.033 0.431 1.00 0.00 H new ATOM 0 HA ALA A 14 5.937 -9.093 1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.499 -8.476 3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.331 -8.609 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.949 -7.006 2.752 1.00 0.00 H new ATOM 287 N PHE A 15 5.345 -6.025 2.896 1.00 0.00 N ATOM 288 CA PHE A 15 4.400 -5.225 3.656 1.00 0.00 C ATOM 289 C PHE A 15 3.001 -5.406 3.088 1.00 0.00 C ATOM 290 O PHE A 15 2.068 -5.748 3.811 1.00 0.00 O ATOM 291 CB PHE A 15 4.831 -3.743 3.670 1.00 0.00 C ATOM 292 CG PHE A 15 4.138 -2.855 2.663 1.00 0.00 C ATOM 293 CD1 PHE A 15 2.787 -2.567 2.782 1.00 0.00 C ATOM 294 CD2 PHE A 15 4.842 -2.303 1.604 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.152 -1.752 1.865 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.211 -1.487 0.683 1.00 0.00 C ATOM 297 CZ PHE A 15 2.865 -1.212 0.814 1.00 0.00 C ATOM 0 H PHE A 15 6.105 -5.492 2.474 1.00 0.00 H new ATOM 0 HA PHE A 15 4.389 -5.564 4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.653 -3.340 4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.905 -3.693 3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.223 -2.986 3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.896 -2.513 1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.099 -1.538 1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.771 -1.065 -0.138 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.370 -0.575 0.095 1.00 0.00 H new ATOM 307 N LEU A 16 2.868 -5.204 1.784 1.00 0.00 N ATOM 308 CA LEU A 16 1.584 -5.373 1.122 1.00 0.00 C ATOM 309 C LEU A 16 1.134 -6.822 1.232 1.00 0.00 C ATOM 310 O LEU A 16 -0.060 -7.108 1.325 1.00 0.00 O ATOM 311 CB LEU A 16 1.675 -4.960 -0.349 1.00 0.00 C ATOM 312 CG LEU A 16 0.447 -5.306 -1.199 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.493 -4.114 -1.288 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.872 -5.764 -2.586 1.00 0.00 C ATOM 0 H LEU A 16 3.630 -4.924 1.167 1.00 0.00 H new ATOM 0 HA LEU A 16 0.852 -4.732 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.840 -3.884 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.550 -5.437 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.088 -6.125 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.359 -4.378 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.823 -3.835 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.028 -3.273 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.012 -6.006 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.430 -4.967 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.503 -6.648 -2.500 1.00 0.00 H new ATOM 326 N GLU A 17 2.102 -7.735 1.236 1.00 0.00 N ATOM 327 CA GLU A 17 1.803 -9.156 1.351 1.00 0.00 C ATOM 328 C GLU A 17 0.940 -9.410 2.573 1.00 0.00 C ATOM 329 O GLU A 17 -0.220 -9.791 2.454 1.00 0.00 O ATOM 330 CB GLU A 17 3.098 -9.972 1.442 1.00 0.00 C ATOM 331 CG GLU A 17 3.440 -10.713 0.158 1.00 0.00 C ATOM 332 CD GLU A 17 3.596 -12.207 0.369 1.00 0.00 C ATOM 333 OE1 GLU A 17 4.150 -12.604 1.416 1.00 0.00 O ATOM 334 OE2 GLU A 17 3.164 -12.980 -0.512 1.00 0.00 O ATOM 0 H GLU A 17 3.095 -7.516 1.161 1.00 0.00 H new ATOM 0 HA GLU A 17 1.258 -9.469 0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.921 -9.305 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.008 -10.693 2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.658 -10.534 -0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.365 -10.310 -0.254 1.00 0.00 H new ATOM 341 N GLN A 18 1.516 -9.184 3.743 1.00 0.00 N ATOM 342 CA GLN A 18 0.803 -9.380 4.997 1.00 0.00 C ATOM 343 C GLN A 18 -0.438 -8.490 5.068 1.00 0.00 C ATOM 344 O GLN A 18 -1.415 -8.830 5.734 1.00 0.00 O ATOM 345 CB GLN A 18 1.725 -9.117 6.192 1.00 0.00 C ATOM 346 CG GLN A 18 2.766 -8.032 5.956 1.00 0.00 C ATOM 347 CD GLN A 18 2.917 -7.099 7.143 1.00 0.00 C ATOM 348 OE1 GLN A 18 1.796 -6.620 7.668 1.00 0.00 O flip ATOM 349 NE2 GLN A 18 4.031 -6.813 7.583 1.00 0.00 N flip ATOM 0 H GLN A 18 2.478 -8.864 3.851 1.00 0.00 H new ATOM 0 HA GLN A 18 0.476 -10.419 5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.115 -8.838 7.051 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.236 -10.044 6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.728 -8.497 5.740 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.488 -7.452 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.867 -7.204 7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.118 -6.185 8.382 1.00 0.00 H new ATOM 358 N VAL A 19 -0.401 -7.355 4.371 1.00 0.00 N ATOM 359 CA VAL A 19 -1.538 -6.435 4.355 1.00 0.00 C ATOM 360 C VAL A 19 -2.701 -7.027 3.563 1.00 0.00 C ATOM 361 O VAL A 19 -3.776 -7.281 4.107 1.00 0.00 O ATOM 362 CB VAL A 19 -1.154 -5.072 3.741 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.363 -4.152 3.644 1.00 0.00 C ATOM 364 CG2 VAL A 19 -0.053 -4.411 4.551 1.00 0.00 C ATOM 0 H VAL A 19 0.398 -7.052 3.814 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.840 -6.282 5.391 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.784 -5.254 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.061 -3.200 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.123 -4.615 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.771 -3.982 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.203 -3.452 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.398 -4.253 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.827 -5.054 4.561 1.00 0.00 H new ATOM 374 N PHE A 20 -2.470 -7.240 2.272 1.00 0.00 N ATOM 375 CA PHE A 20 -3.486 -7.800 1.383 1.00 0.00 C ATOM 376 C PHE A 20 -3.783 -9.262 1.720 1.00 0.00 C ATOM 377 O PHE A 20 -4.745 -9.840 1.217 1.00 0.00 O ATOM 378 CB PHE A 20 -3.015 -7.692 -0.066 1.00 0.00 C ATOM 379 CG PHE A 20 -3.996 -8.235 -1.066 1.00 0.00 C ATOM 380 CD1 PHE A 20 -3.966 -9.571 -1.432 1.00 0.00 C ATOM 381 CD2 PHE A 20 -4.948 -7.408 -1.642 1.00 0.00 C ATOM 382 CE1 PHE A 20 -4.867 -10.072 -2.353 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.850 -7.904 -2.564 1.00 0.00 C ATOM 384 CZ PHE A 20 -5.810 -9.238 -2.920 1.00 0.00 C ATOM 0 H PHE A 20 -1.583 -7.032 1.814 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.405 -7.230 1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.818 -6.645 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.070 -8.225 -0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.230 -10.228 -0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.985 -6.364 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.833 -11.116 -2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.586 -7.249 -3.006 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.514 -9.628 -3.640 1.00 0.00 H new ATOM 394 N ARG A 21 -2.947 -9.854 2.562 1.00 0.00 N ATOM 395 CA ARG A 21 -3.112 -11.246 2.961 1.00 0.00 C ATOM 396 C ARG A 21 -4.072 -11.355 4.142 1.00 0.00 C ATOM 397 O ARG A 21 -4.861 -12.297 4.229 1.00 0.00 O ATOM 398 CB ARG A 21 -1.739 -11.827 3.310 1.00 0.00 C ATOM 399 CG ARG A 21 -1.755 -13.040 4.225 1.00 0.00 C ATOM 400 CD ARG A 21 -0.835 -12.819 5.412 1.00 0.00 C ATOM 401 NE ARG A 21 -1.274 -13.555 6.595 1.00 0.00 N ATOM 402 CZ ARG A 21 -0.489 -13.820 7.637 1.00 0.00 C ATOM 403 NH1 ARG A 21 0.774 -13.411 7.646 1.00 0.00 N ATOM 404 NH2 ARG A 21 -0.968 -14.497 8.671 1.00 0.00 N ATOM 0 H ARG A 21 -2.143 -9.389 2.984 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.542 -11.816 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.233 -12.099 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.143 -11.046 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.771 -13.227 4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.440 -13.925 3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.176 -13.128 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.793 -11.755 5.643 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.239 -13.885 6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.147 -12.891 6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.371 -13.617 8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.937 -14.814 8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.367 -14.701 9.470 1.00 0.00 H new ATOM 418 N ARG A 22 -4.005 -10.383 5.044 1.00 0.00 N ATOM 419 CA ARG A 22 -4.871 -10.367 6.214 1.00 0.00 C ATOM 420 C ARG A 22 -6.329 -10.267 5.788 1.00 0.00 C ATOM 421 O ARG A 22 -7.217 -10.855 6.407 1.00 0.00 O ATOM 422 CB ARG A 22 -4.512 -9.187 7.113 1.00 0.00 C ATOM 423 CG ARG A 22 -3.230 -9.390 7.905 1.00 0.00 C ATOM 424 CD ARG A 22 -2.599 -8.061 8.288 1.00 0.00 C ATOM 425 NE ARG A 22 -3.527 -7.207 9.024 1.00 0.00 N ATOM 426 CZ ARG A 22 -3.911 -7.437 10.278 1.00 0.00 C ATOM 427 NH1 ARG A 22 -3.445 -8.490 10.939 1.00 0.00 N ATOM 428 NH2 ARG A 22 -4.764 -6.614 10.872 1.00 0.00 N ATOM 0 H ARG A 22 -3.359 -9.596 4.986 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.728 -11.295 6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.412 -8.292 6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.333 -9.008 7.807 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.444 -9.966 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.524 -9.973 7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.713 -8.242 8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.267 -7.544 7.387 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.903 -6.386 8.550 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.790 -9.127 10.486 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.742 -8.662 11.899 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.126 -5.804 10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.058 -6.790 11.833 1.00 0.00 H new ATOM 442 N LYS A 23 -6.559 -9.515 4.721 1.00 0.00 N ATOM 443 CA LYS A 23 -7.901 -9.320 4.184 1.00 0.00 C ATOM 444 C LYS A 23 -7.818 -8.795 2.749 1.00 0.00 C ATOM 445 O LYS A 23 -6.935 -9.200 1.996 1.00 0.00 O ATOM 446 CB LYS A 23 -8.692 -8.364 5.083 1.00 0.00 C ATOM 447 CG LYS A 23 -8.038 -7.001 5.237 1.00 0.00 C ATOM 448 CD LYS A 23 -8.710 -6.141 6.308 1.00 0.00 C ATOM 449 CE LYS A 23 -9.311 -6.971 7.434 1.00 0.00 C ATOM 450 NZ LYS A 23 -8.289 -7.812 8.118 1.00 0.00 N ATOM 0 H LYS A 23 -5.828 -9.026 4.205 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.426 -10.275 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.693 -8.234 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.809 -8.816 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.986 -7.134 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.072 -6.477 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.979 -5.448 6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.494 -5.540 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.780 -6.309 8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.097 -7.611 7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.592 -8.807 8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.378 -7.721 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.183 -7.496 9.103 1.00 0.00 H new ATOM 464 N GLN A 24 -8.726 -7.901 2.362 1.00 0.00 N ATOM 465 CA GLN A 24 -8.710 -7.360 1.008 1.00 0.00 C ATOM 466 C GLN A 24 -9.193 -5.916 0.977 1.00 0.00 C ATOM 467 O GLN A 24 -8.604 -5.070 0.306 1.00 0.00 O ATOM 468 CB GLN A 24 -9.581 -8.211 0.077 1.00 0.00 C ATOM 469 CG GLN A 24 -9.567 -9.697 0.398 1.00 0.00 C ATOM 470 CD GLN A 24 -8.291 -10.381 -0.052 1.00 0.00 C ATOM 471 OE1 GLN A 24 -7.619 -9.921 -0.975 1.00 0.00 O ATOM 472 NE2 GLN A 24 -7.952 -11.488 0.598 1.00 0.00 N ATOM 0 H GLN A 24 -9.471 -7.541 2.958 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.677 -7.385 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.608 -7.849 0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.243 -8.069 -0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.688 -9.833 1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.420 -10.176 -0.082 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.539 -11.834 1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.105 -11.993 0.338 1.00 0.00 H new ATOM 481 N SER A 25 -10.282 -5.644 1.685 1.00 0.00 N ATOM 482 CA SER A 25 -10.857 -4.302 1.711 1.00 0.00 C ATOM 483 C SER A 25 -10.505 -3.535 2.984 1.00 0.00 C ATOM 484 O SER A 25 -11.240 -3.584 3.970 1.00 0.00 O ATOM 485 CB SER A 25 -12.377 -4.382 1.563 1.00 0.00 C ATOM 486 OG SER A 25 -12.952 -3.088 1.499 1.00 0.00 O ATOM 0 H SER A 25 -10.784 -6.331 2.247 1.00 0.00 H new ATOM 0 HA SER A 25 -10.426 -3.755 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.629 -4.940 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.799 -4.930 2.405 1.00 0.00 H new ATOM 0 HG SER A 25 -13.924 -3.166 1.403 1.00 0.00 H new ATOM 492 N LEU A 26 -9.394 -2.801 2.947 1.00 0.00 N ATOM 493 CA LEU A 26 -8.973 -1.995 4.090 1.00 0.00 C ATOM 494 C LEU A 26 -9.655 -0.629 4.040 1.00 0.00 C ATOM 495 O LEU A 26 -9.645 0.036 3.005 1.00 0.00 O ATOM 496 CB LEU A 26 -7.451 -1.806 4.104 1.00 0.00 C ATOM 497 CG LEU A 26 -6.617 -3.047 3.769 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.160 -2.835 4.164 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.178 -4.277 4.462 1.00 0.00 C ATOM 0 H LEU A 26 -8.772 -2.748 2.141 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.264 -2.520 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.196 -1.019 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.158 -1.452 5.092 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.666 -3.208 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.583 -3.727 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.756 -1.981 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.097 -2.646 5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.570 -5.146 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.163 -4.125 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.204 -4.444 4.133 1.00 0.00 H new ATOM 511 N ASN A 27 -10.251 -0.214 5.155 1.00 0.00 N ATOM 512 CA ASN A 27 -10.937 1.074 5.210 1.00 0.00 C ATOM 513 C ASN A 27 -10.022 2.161 5.773 1.00 0.00 C ATOM 514 O ASN A 27 -8.851 1.914 6.048 1.00 0.00 O ATOM 515 CB ASN A 27 -12.226 0.962 6.037 1.00 0.00 C ATOM 516 CG ASN A 27 -11.982 1.008 7.533 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.154 2.047 8.168 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.581 -0.120 8.104 1.00 0.00 N ATOM 0 H ASN A 27 -10.273 -0.745 6.025 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.205 1.359 4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.899 1.773 5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.731 0.029 5.786 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.403 -0.148 9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.451 -0.959 7.539 1.00 0.00 H new ATOM 525 N SER A 28 -10.562 3.366 5.935 1.00 0.00 N ATOM 526 CA SER A 28 -9.793 4.495 6.456 1.00 0.00 C ATOM 527 C SER A 28 -9.100 4.136 7.767 1.00 0.00 C ATOM 528 O SER A 28 -8.041 4.671 8.092 1.00 0.00 O ATOM 529 CB SER A 28 -10.703 5.706 6.664 1.00 0.00 C ATOM 530 OG SER A 28 -10.074 6.686 7.471 1.00 0.00 O ATOM 0 H SER A 28 -11.533 3.587 5.712 1.00 0.00 H new ATOM 0 HA SER A 28 -9.026 4.743 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.963 6.139 5.698 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.634 5.388 7.133 1.00 0.00 H new ATOM 0 HG SER A 28 -10.677 7.450 7.587 1.00 0.00 H new ATOM 536 N LYS A 29 -9.708 3.224 8.511 1.00 0.00 N ATOM 537 CA LYS A 29 -9.159 2.782 9.786 1.00 0.00 C ATOM 538 C LYS A 29 -8.020 1.798 9.566 1.00 0.00 C ATOM 539 O LYS A 29 -6.949 1.930 10.155 1.00 0.00 O ATOM 540 CB LYS A 29 -10.259 2.128 10.620 1.00 0.00 C ATOM 541 CG LYS A 29 -11.089 3.106 11.444 1.00 0.00 C ATOM 542 CD LYS A 29 -11.339 4.424 10.718 1.00 0.00 C ATOM 543 CE LYS A 29 -12.441 4.291 9.680 1.00 0.00 C ATOM 544 NZ LYS A 29 -13.361 5.462 9.694 1.00 0.00 N ATOM 0 H LYS A 29 -10.586 2.773 8.253 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.768 3.649 10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.924 1.577 9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.805 1.400 11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.045 2.645 11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.578 3.306 12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.611 5.193 11.441 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.420 4.753 10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.997 4.190 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.009 3.380 9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.098 5.333 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.805 5.544 10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.823 6.328 9.489 1.00 0.00 H new ATOM 558 N GLU A 30 -8.257 0.820 8.706 1.00 0.00 N ATOM 559 CA GLU A 30 -7.254 -0.183 8.397 1.00 0.00 C ATOM 560 C GLU A 30 -6.155 0.432 7.555 1.00 0.00 C ATOM 561 O GLU A 30 -4.991 0.116 7.715 1.00 0.00 O ATOM 562 CB GLU A 30 -7.884 -1.362 7.659 1.00 0.00 C ATOM 563 CG GLU A 30 -8.902 -2.121 8.491 1.00 0.00 C ATOM 564 CD GLU A 30 -9.126 -3.536 7.998 1.00 0.00 C ATOM 565 OE1 GLU A 30 -9.849 -3.706 6.995 1.00 0.00 O ATOM 566 OE2 GLU A 30 -8.579 -4.473 8.616 1.00 0.00 O ATOM 0 H GLU A 30 -9.139 0.701 8.209 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.827 -0.550 9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.367 -0.997 6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.097 -2.048 7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.567 -2.151 9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.849 -1.582 8.478 1.00 0.00 H new ATOM 573 N LYS A 31 -6.534 1.329 6.662 1.00 0.00 N ATOM 574 CA LYS A 31 -5.569 1.994 5.811 1.00 0.00 C ATOM 575 C LYS A 31 -4.578 2.779 6.663 1.00 0.00 C ATOM 576 O LYS A 31 -3.402 2.885 6.329 1.00 0.00 O ATOM 577 CB LYS A 31 -6.297 2.910 4.826 1.00 0.00 C ATOM 578 CG LYS A 31 -6.462 4.338 5.312 1.00 0.00 C ATOM 579 CD LYS A 31 -7.090 5.216 4.248 1.00 0.00 C ATOM 580 CE LYS A 31 -7.493 6.571 4.806 1.00 0.00 C ATOM 581 NZ LYS A 31 -6.543 7.644 4.402 1.00 0.00 N ATOM 0 H LYS A 31 -7.502 1.612 6.509 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.011 1.251 5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.750 2.920 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.282 2.492 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.083 4.349 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.490 4.743 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.386 5.355 3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.966 4.717 3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.495 6.823 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.538 6.517 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.267 8.196 5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.697 7.216 3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.001 8.271 3.710 1.00 0.00 H new ATOM 595 N GLU A 32 -5.069 3.319 7.773 1.00 0.00 N ATOM 596 CA GLU A 32 -4.236 4.088 8.688 1.00 0.00 C ATOM 597 C GLU A 32 -3.617 3.175 9.745 1.00 0.00 C ATOM 598 O GLU A 32 -2.474 3.367 10.159 1.00 0.00 O ATOM 599 CB GLU A 32 -5.066 5.189 9.355 1.00 0.00 C ATOM 600 CG GLU A 32 -6.047 4.678 10.403 1.00 0.00 C ATOM 601 CD GLU A 32 -6.654 5.795 11.229 1.00 0.00 C ATOM 602 OE1 GLU A 32 -6.387 6.976 10.921 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.398 5.489 12.185 1.00 0.00 O ATOM 0 H GLU A 32 -6.044 3.237 8.061 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.429 4.551 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.391 5.905 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.620 5.728 8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.844 4.123 9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.535 3.979 11.065 1.00 0.00 H new ATOM 610 N GLU A 33 -4.386 2.179 10.169 1.00 0.00 N ATOM 611 CA GLU A 33 -3.935 1.222 11.171 1.00 0.00 C ATOM 612 C GLU A 33 -2.945 0.236 10.563 1.00 0.00 C ATOM 613 O GLU A 33 -1.999 -0.202 11.217 1.00 0.00 O ATOM 614 CB GLU A 33 -5.139 0.470 11.735 1.00 0.00 C ATOM 615 CG GLU A 33 -6.043 1.330 12.602 1.00 0.00 C ATOM 616 CD GLU A 33 -5.767 1.160 14.083 1.00 0.00 C ATOM 617 OE1 GLU A 33 -6.196 0.136 14.652 1.00 0.00 O ATOM 618 OE2 GLU A 33 -5.121 2.052 14.672 1.00 0.00 O ATOM 0 H GLU A 33 -5.334 2.013 9.830 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.434 1.762 11.974 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.722 0.063 10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.785 -0.377 12.323 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.912 2.377 12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.083 1.076 12.399 1.00 0.00 H new ATOM 625 N VAL A 34 -3.181 -0.102 9.303 1.00 0.00 N ATOM 626 CA VAL A 34 -2.329 -1.032 8.572 1.00 0.00 C ATOM 627 C VAL A 34 -1.078 -0.324 8.065 1.00 0.00 C ATOM 628 O VAL A 34 0.009 -0.902 8.040 1.00 0.00 O ATOM 629 CB VAL A 34 -3.093 -1.666 7.383 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.187 -2.557 6.548 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.290 -2.457 7.887 1.00 0.00 C ATOM 0 H VAL A 34 -3.965 0.259 8.760 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.035 -1.826 9.258 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.444 -0.856 6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.757 -2.985 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.361 -1.966 6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.792 -3.360 7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.818 -2.897 7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.948 -3.249 8.553 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.963 -1.793 8.429 1.00 0.00 H new ATOM 641 N ALA A 35 -1.241 0.930 7.657 1.00 0.00 N ATOM 642 CA ALA A 35 -0.124 1.717 7.144 1.00 0.00 C ATOM 643 C ALA A 35 0.922 1.998 8.220 1.00 0.00 C ATOM 644 O ALA A 35 2.103 2.164 7.919 1.00 0.00 O ATOM 645 CB ALA A 35 -0.625 3.024 6.560 1.00 0.00 C ATOM 0 H ALA A 35 -2.134 1.423 7.671 1.00 0.00 H new ATOM 0 HA ALA A 35 0.354 1.127 6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.219 3.601 6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.318 2.816 5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.137 3.596 7.334 1.00 0.00 H new ATOM 651 N LYS A 36 0.480 2.078 9.469 1.00 0.00 N ATOM 652 CA LYS A 36 1.380 2.370 10.581 1.00 0.00 C ATOM 653 C LYS A 36 2.028 1.110 11.154 1.00 0.00 C ATOM 654 O LYS A 36 3.051 1.191 11.833 1.00 0.00 O ATOM 655 CB LYS A 36 0.622 3.106 11.685 1.00 0.00 C ATOM 656 CG LYS A 36 -0.434 2.255 12.372 1.00 0.00 C ATOM 657 CD LYS A 36 -1.179 3.041 13.439 1.00 0.00 C ATOM 658 CE LYS A 36 -1.889 2.119 14.417 1.00 0.00 C ATOM 659 NZ LYS A 36 -2.245 2.820 15.682 1.00 0.00 N ATOM 0 H LYS A 36 -0.495 1.945 9.739 1.00 0.00 H new ATOM 0 HA LYS A 36 2.179 3.000 10.191 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.335 3.457 12.431 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.145 3.989 11.260 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.142 1.885 11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.038 1.383 12.825 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.478 3.676 13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.906 3.700 12.965 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.793 1.725 13.953 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.249 1.266 14.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.793 2.338 16.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.914 3.805 15.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.277 2.807 15.807 1.00 0.00 H new ATOM 673 N LYS A 37 1.431 -0.048 10.895 1.00 0.00 N ATOM 674 CA LYS A 37 1.969 -1.303 11.410 1.00 0.00 C ATOM 675 C LYS A 37 2.684 -2.094 10.320 1.00 0.00 C ATOM 676 O LYS A 37 3.583 -2.885 10.605 1.00 0.00 O ATOM 677 CB LYS A 37 0.851 -2.151 12.023 1.00 0.00 C ATOM 678 CG LYS A 37 -0.136 -2.690 11.001 1.00 0.00 C ATOM 679 CD LYS A 37 -1.154 -3.619 11.644 1.00 0.00 C ATOM 680 CE LYS A 37 -0.698 -5.069 11.587 1.00 0.00 C ATOM 681 NZ LYS A 37 -0.974 -5.688 10.261 1.00 0.00 N ATOM 0 H LYS A 37 0.583 -0.145 10.337 1.00 0.00 H new ATOM 0 HA LYS A 37 2.698 -1.057 12.182 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.295 -2.987 12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.311 -1.550 12.755 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.653 -1.860 10.520 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.404 -3.225 10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.311 -3.326 12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.113 -3.518 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.370 -5.122 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.204 -5.639 12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.727 -6.698 10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.984 -5.586 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.405 -5.214 9.531 1.00 0.00 H new ATOM 695 N CYS A 38 2.276 -1.884 9.075 1.00 0.00 N ATOM 696 CA CYS A 38 2.879 -2.591 7.952 1.00 0.00 C ATOM 697 C CYS A 38 3.985 -1.763 7.305 1.00 0.00 C ATOM 698 O CYS A 38 4.927 -2.313 6.735 1.00 0.00 O ATOM 699 CB CYS A 38 1.808 -2.948 6.924 1.00 0.00 C ATOM 700 SG CYS A 38 0.445 -3.920 7.610 1.00 0.00 S ATOM 0 H CYS A 38 1.534 -1.233 8.818 1.00 0.00 H new ATOM 0 HA CYS A 38 3.330 -3.509 8.330 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.408 -2.030 6.494 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.269 -3.507 6.110 1.00 0.00 H new ATOM 0 HG CYS A 38 0.813 -5.161 7.726 1.00 0.00 H new ATOM 706 N GLY A 39 3.876 -0.442 7.407 1.00 0.00 N ATOM 707 CA GLY A 39 4.891 0.424 6.833 1.00 0.00 C ATOM 708 C GLY A 39 4.386 1.255 5.670 1.00 0.00 C ATOM 709 O GLY A 39 5.170 1.686 4.825 1.00 0.00 O ATOM 0 H GLY A 39 3.109 0.042 7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.270 1.090 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.730 -0.185 6.497 1.00 0.00 H new ATOM 713 N ILE A 40 3.082 1.499 5.632 1.00 0.00 N ATOM 714 CA ILE A 40 2.492 2.302 4.569 1.00 0.00 C ATOM 715 C ILE A 40 2.036 3.647 5.131 1.00 0.00 C ATOM 716 O ILE A 40 2.425 4.025 6.236 1.00 0.00 O ATOM 717 CB ILE A 40 1.296 1.592 3.885 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.190 0.127 4.316 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.428 1.673 2.371 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.109 -0.524 3.890 1.00 0.00 C ATOM 0 H ILE A 40 2.415 1.154 6.322 1.00 0.00 H new ATOM 0 HA ILE A 40 3.261 2.451 3.811 1.00 0.00 H new ATOM 0 HB ILE A 40 0.387 2.105 4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.025 -0.431 3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.282 0.066 5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.581 1.170 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.444 2.718 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.354 1.189 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.123 -1.561 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.948 0.012 4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.193 -0.493 2.804 1.00 0.00 H new ATOM 732 N THR A 41 1.218 4.371 4.377 1.00 0.00 N ATOM 733 CA THR A 41 0.729 5.671 4.827 1.00 0.00 C ATOM 734 C THR A 41 -0.689 5.932 4.324 1.00 0.00 C ATOM 735 O THR A 41 -1.127 5.338 3.339 1.00 0.00 O ATOM 736 CB THR A 41 1.670 6.786 4.357 1.00 0.00 C ATOM 737 OG1 THR A 41 2.843 6.244 3.778 1.00 0.00 O ATOM 738 CG2 THR A 41 2.099 7.715 5.471 1.00 0.00 C ATOM 0 H THR A 41 0.881 4.084 3.458 1.00 0.00 H new ATOM 0 HA THR A 41 0.706 5.662 5.917 1.00 0.00 H new ATOM 0 HB THR A 41 1.097 7.357 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.429 6.972 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.764 8.481 5.071 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.220 8.189 5.908 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.623 7.145 6.238 1.00 0.00 H new ATOM 746 N PRO A 42 -1.427 6.833 4.999 1.00 0.00 N ATOM 747 CA PRO A 42 -2.800 7.176 4.617 1.00 0.00 C ATOM 748 C PRO A 42 -2.916 7.551 3.144 1.00 0.00 C ATOM 749 O PRO A 42 -3.987 7.442 2.548 1.00 0.00 O ATOM 750 CB PRO A 42 -3.128 8.378 5.504 1.00 0.00 C ATOM 751 CG PRO A 42 -2.243 8.225 6.691 1.00 0.00 C ATOM 752 CD PRO A 42 -0.979 7.590 6.184 1.00 0.00 C ATOM 0 HA PRO A 42 -3.481 6.335 4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.936 9.317 4.985 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.179 8.382 5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.037 9.191 7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.714 7.603 7.452 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.230 8.338 5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.530 6.937 6.932 1.00 0.00 H new ATOM 760 N LEU A 43 -1.804 7.990 2.561 1.00 0.00 N ATOM 761 CA LEU A 43 -1.776 8.379 1.154 1.00 0.00 C ATOM 762 C LEU A 43 -1.389 7.194 0.273 1.00 0.00 C ATOM 763 O LEU A 43 -1.749 7.137 -0.904 1.00 0.00 O ATOM 764 CB LEU A 43 -0.792 9.530 0.943 1.00 0.00 C ATOM 765 CG LEU A 43 -0.938 10.270 -0.388 1.00 0.00 C ATOM 766 CD1 LEU A 43 -2.217 11.091 -0.404 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.272 11.158 -0.638 1.00 0.00 C ATOM 0 H LEU A 43 -0.909 8.085 3.042 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.776 8.709 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.915 10.247 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.223 9.138 1.014 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.995 9.533 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.304 11.610 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.074 10.431 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.191 11.821 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.152 11.677 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.359 11.889 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.173 10.545 -0.670 1.00 0.00 H new ATOM 779 N GLN A 44 -0.663 6.242 0.853 1.00 0.00 N ATOM 780 CA GLN A 44 -0.243 5.059 0.118 1.00 0.00 C ATOM 781 C GLN A 44 -1.361 4.034 0.108 1.00 0.00 C ATOM 782 O GLN A 44 -1.841 3.635 -0.943 1.00 0.00 O ATOM 783 CB GLN A 44 1.015 4.450 0.737 1.00 0.00 C ATOM 784 CG GLN A 44 1.993 5.479 1.279 1.00 0.00 C ATOM 785 CD GLN A 44 2.549 6.383 0.197 1.00 0.00 C ATOM 786 OE1 GLN A 44 3.169 5.915 -0.760 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.332 7.684 0.342 1.00 0.00 N ATOM 0 H GLN A 44 -0.356 6.269 1.825 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.013 5.355 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.723 3.780 1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.520 3.843 -0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.494 6.087 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.816 4.966 1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.813 8.028 1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.684 8.340 -0.355 1.00 0.00 H new ATOM 796 N VAL A 45 -1.780 3.625 1.295 1.00 0.00 N ATOM 797 CA VAL A 45 -2.855 2.649 1.450 1.00 0.00 C ATOM 798 C VAL A 45 -3.948 2.822 0.398 1.00 0.00 C ATOM 799 O VAL A 45 -4.555 1.851 -0.041 1.00 0.00 O ATOM 800 CB VAL A 45 -3.483 2.769 2.838 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.484 2.341 3.892 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.948 4.196 3.085 1.00 0.00 C ATOM 0 H VAL A 45 -1.389 3.957 2.177 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.408 1.664 1.320 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.352 2.114 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.937 2.429 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.192 1.306 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.603 2.980 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.393 4.267 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.096 4.873 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.689 4.472 2.334 1.00 0.00 H new ATOM 812 N ARG A 46 -4.191 4.058 -0.011 1.00 0.00 N ATOM 813 CA ARG A 46 -5.207 4.328 -1.018 1.00 0.00 C ATOM 814 C ARG A 46 -4.657 4.082 -2.422 1.00 0.00 C ATOM 815 O ARG A 46 -5.174 3.246 -3.159 1.00 0.00 O ATOM 816 CB ARG A 46 -5.735 5.760 -0.899 1.00 0.00 C ATOM 817 CG ARG A 46 -4.704 6.774 -0.434 1.00 0.00 C ATOM 818 CD ARG A 46 -4.888 8.118 -1.121 1.00 0.00 C ATOM 819 NE ARG A 46 -6.270 8.589 -1.040 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.631 9.858 -1.207 1.00 0.00 C ATOM 821 NH1 ARG A 46 -5.721 10.788 -1.470 1.00 0.00 N ATOM 822 NH2 ARG A 46 -7.909 10.200 -1.113 1.00 0.00 N ATOM 0 H ARG A 46 -3.703 4.884 0.335 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.037 3.643 -0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.122 6.073 -1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.574 5.768 -0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.782 6.903 0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.703 6.395 -0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.227 8.853 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.594 8.034 -2.167 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.000 7.904 -0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.737 10.531 -1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.006 11.759 -1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.614 9.490 -0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.187 11.173 -1.241 1.00 0.00 H new ATOM 836 N VAL A 47 -3.604 4.808 -2.786 1.00 0.00 N ATOM 837 CA VAL A 47 -2.992 4.659 -4.105 1.00 0.00 C ATOM 838 C VAL A 47 -2.301 3.306 -4.248 1.00 0.00 C ATOM 839 O VAL A 47 -2.420 2.634 -5.272 1.00 0.00 O ATOM 840 CB VAL A 47 -1.956 5.769 -4.359 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.602 7.136 -4.209 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.776 5.619 -3.409 1.00 0.00 C ATOM 0 H VAL A 47 -3.157 5.504 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.796 4.731 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.585 5.677 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.858 7.912 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.414 7.236 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.998 7.243 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.052 6.411 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.127 5.689 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.303 4.649 -3.566 1.00 0.00 H new ATOM 852 N TRP A 48 -1.572 2.927 -3.211 1.00 0.00 N ATOM 853 CA TRP A 48 -0.842 1.674 -3.188 1.00 0.00 C ATOM 854 C TRP A 48 -1.793 0.485 -3.314 1.00 0.00 C ATOM 855 O TRP A 48 -1.628 -0.353 -4.202 1.00 0.00 O ATOM 856 CB TRP A 48 -0.010 1.589 -1.906 1.00 0.00 C ATOM 857 CG TRP A 48 1.429 1.263 -2.158 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.449 2.154 -2.337 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.012 -0.040 -2.268 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.629 1.486 -2.549 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.388 0.137 -2.511 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.507 -1.340 -2.183 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.261 -0.934 -2.670 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.376 -2.403 -2.341 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.739 -2.195 -2.582 1.00 0.00 C ATOM 0 H TRP A 48 -1.471 3.482 -2.361 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.168 1.639 -4.044 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.073 2.539 -1.376 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.439 0.830 -1.252 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.342 3.228 -2.315 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.537 1.922 -2.709 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.457 -1.511 -1.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.313 -0.776 -2.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.997 -3.412 -2.277 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.392 -3.047 -2.701 1.00 0.00 H new ATOM 876 N PHE A 49 -2.799 0.416 -2.442 1.00 0.00 N ATOM 877 CA PHE A 49 -3.769 -0.672 -2.497 1.00 0.00 C ATOM 878 C PHE A 49 -4.560 -0.615 -3.798 1.00 0.00 C ATOM 879 O PHE A 49 -5.004 -1.637 -4.302 1.00 0.00 O ATOM 880 CB PHE A 49 -4.740 -0.613 -1.314 1.00 0.00 C ATOM 881 CG PHE A 49 -4.103 -0.808 0.037 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.828 -1.340 0.164 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.793 -0.458 1.188 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.256 -1.516 1.411 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.227 -0.630 2.434 1.00 0.00 C ATOM 886 CZ PHE A 49 -2.958 -1.159 2.547 1.00 0.00 C ATOM 0 H PHE A 49 -2.961 1.094 -1.697 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.213 -1.608 -2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.246 0.352 -1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.506 -1.376 -1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.276 -1.620 -0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.788 -0.045 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.263 -1.932 1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.777 -0.351 3.321 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.513 -1.294 3.522 1.00 0.00 H new ATOM 896 N ILE A 50 -4.740 0.587 -4.342 1.00 0.00 N ATOM 897 CA ILE A 50 -5.484 0.749 -5.589 1.00 0.00 C ATOM 898 C ILE A 50 -4.920 -0.170 -6.675 1.00 0.00 C ATOM 899 O ILE A 50 -5.656 -0.931 -7.305 1.00 0.00 O ATOM 900 CB ILE A 50 -5.469 2.223 -6.068 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.677 2.973 -5.498 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.456 2.316 -7.592 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.997 2.559 -6.115 1.00 0.00 C ATOM 0 H ILE A 50 -4.384 1.456 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.520 0.469 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.554 2.687 -5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.721 2.808 -4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.534 4.043 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.446 3.364 -7.893 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.567 1.819 -7.979 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.346 1.832 -7.994 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.806 3.132 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.973 2.750 -7.188 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.163 1.496 -5.940 1.00 0.00 H new ATOM 915 N ASN A 51 -3.608 -0.100 -6.878 1.00 0.00 N ATOM 916 CA ASN A 51 -2.944 -0.929 -7.876 1.00 0.00 C ATOM 917 C ASN A 51 -2.723 -2.340 -7.339 1.00 0.00 C ATOM 918 O ASN A 51 -2.703 -3.309 -8.098 1.00 0.00 O ATOM 919 CB ASN A 51 -1.605 -0.307 -8.279 1.00 0.00 C ATOM 920 CG ASN A 51 -1.724 0.578 -9.504 1.00 0.00 C ATOM 921 OD1 ASN A 51 -2.571 0.351 -10.369 1.00 0.00 O ATOM 922 ND2 ASN A 51 -0.873 1.595 -9.584 1.00 0.00 N ATOM 0 H ASN A 51 -2.984 0.522 -6.364 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.585 -0.986 -8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.215 0.279 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.884 -1.100 -8.476 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.905 2.225 -10.385 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.187 1.746 -8.844 1.00 0.00 H new ATOM 929 N LYS A 52 -2.564 -2.445 -6.024 1.00 0.00 N ATOM 930 CA LYS A 52 -2.352 -3.734 -5.375 1.00 0.00 C ATOM 931 C LYS A 52 -3.671 -4.312 -4.868 1.00 0.00 C ATOM 932 O LYS A 52 -3.684 -5.192 -4.007 1.00 0.00 O ATOM 933 CB LYS A 52 -1.375 -3.578 -4.207 1.00 0.00 C ATOM 934 CG LYS A 52 0.079 -3.440 -4.635 1.00 0.00 C ATOM 935 CD LYS A 52 0.490 -4.534 -5.607 1.00 0.00 C ATOM 936 CE LYS A 52 2.002 -4.650 -5.706 1.00 0.00 C ATOM 937 NZ LYS A 52 2.418 -5.591 -6.782 1.00 0.00 N ATOM 0 H LYS A 52 -2.578 -1.650 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.932 -4.421 -6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.657 -2.701 -3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.470 -4.442 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.230 -2.466 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.721 -3.476 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.071 -5.487 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.075 -4.322 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.430 -3.666 -5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.403 -4.990 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.456 -5.642 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.032 -6.536 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.057 -5.253 -7.697 1.00 0.00 H new ATOM 951 N ARG A 53 -4.779 -3.802 -5.397 1.00 0.00 N ATOM 952 CA ARG A 53 -6.101 -4.253 -4.992 1.00 0.00 C ATOM 953 C ARG A 53 -7.190 -3.575 -5.814 1.00 0.00 C ATOM 954 O ARG A 53 -8.295 -3.355 -5.321 1.00 0.00 O ATOM 955 CB ARG A 53 -6.337 -3.948 -3.515 1.00 0.00 C ATOM 956 CG ARG A 53 -7.569 -4.636 -2.959 1.00 0.00 C ATOM 957 CD ARG A 53 -8.358 -3.717 -2.040 1.00 0.00 C ATOM 958 NE ARG A 53 -8.810 -2.512 -2.731 1.00 0.00 N ATOM 959 CZ ARG A 53 -9.220 -1.410 -2.108 1.00 0.00 C ATOM 960 NH1 ARG A 53 -9.239 -1.355 -0.782 1.00 0.00 N ATOM 961 NH2 ARG A 53 -9.614 -0.358 -2.814 1.00 0.00 N ATOM 0 H ARG A 53 -4.784 -3.073 -6.110 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.146 -5.329 -5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.464 -4.258 -2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.438 -2.871 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.206 -4.963 -3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.271 -5.530 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.220 -4.253 -1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.738 -3.436 -1.188 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.811 -2.516 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.938 -2.161 -0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.555 -0.507 -0.311 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.602 -0.395 -3.833 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.928 0.487 -2.337 1.00 0.00 H new ATOM 975 N MET A 54 -6.880 -3.238 -7.064 1.00 0.00 N ATOM 976 CA MET A 54 -7.847 -2.580 -7.935 1.00 0.00 C ATOM 977 C MET A 54 -9.168 -3.345 -7.962 1.00 0.00 C ATOM 978 O MET A 54 -9.378 -4.212 -8.809 1.00 0.00 O ATOM 979 CB MET A 54 -7.284 -2.446 -9.351 1.00 0.00 C ATOM 980 CG MET A 54 -7.513 -1.076 -9.968 1.00 0.00 C ATOM 981 SD MET A 54 -7.589 -1.128 -11.769 1.00 0.00 S ATOM 982 CE MET A 54 -7.716 0.617 -12.152 1.00 0.00 C ATOM 0 H MET A 54 -5.971 -3.409 -7.494 1.00 0.00 H new ATOM 0 HA MET A 54 -8.038 -1.584 -7.536 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.214 -2.651 -9.329 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.741 -3.203 -9.988 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.443 -0.659 -9.581 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.710 -0.405 -9.661 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.772 0.749 -13.233 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.614 1.027 -11.689 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.840 1.139 -11.768 1.00 0.00 H new ATOM 992 N ARG A 55 -10.050 -3.017 -7.023 1.00 0.00 N ATOM 993 CA ARG A 55 -11.348 -3.671 -6.930 1.00 0.00 C ATOM 994 C ARG A 55 -12.234 -3.284 -8.107 1.00 0.00 C ATOM 995 O ARG A 55 -12.929 -4.124 -8.679 1.00 0.00 O ATOM 996 CB ARG A 55 -12.035 -3.297 -5.615 1.00 0.00 C ATOM 997 CG ARG A 55 -11.407 -3.947 -4.393 1.00 0.00 C ATOM 998 CD ARG A 55 -12.228 -5.132 -3.906 1.00 0.00 C ATOM 999 NE ARG A 55 -11.646 -6.407 -4.318 1.00 0.00 N ATOM 1000 CZ ARG A 55 -12.021 -7.586 -3.826 1.00 0.00 C ATOM 1001 NH1 ARG A 55 -12.976 -7.656 -2.908 1.00 0.00 N ATOM 1002 NH2 ARG A 55 -11.439 -8.697 -4.255 1.00 0.00 N ATOM 0 H ARG A 55 -9.888 -2.301 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.189 -4.749 -6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.006 -2.214 -5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.085 -3.584 -5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.397 -4.278 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.319 -3.211 -3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.300 -5.101 -2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.243 -5.054 -4.295 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.910 -6.393 -5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.427 -6.804 -2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.259 -8.562 -2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.705 -8.648 -4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.725 -9.601 -3.879 1.00 0.00 H new ATOM 1016 N SER A 56 -12.204 -2.004 -8.465 1.00 0.00 N ATOM 1017 CA SER A 56 -13.004 -1.500 -9.574 1.00 0.00 C ATOM 1018 C SER A 56 -12.135 -1.249 -10.802 1.00 0.00 C ATOM 1019 O SER A 56 -11.030 -0.719 -10.694 1.00 0.00 O ATOM 1020 CB SER A 56 -13.722 -0.211 -9.170 1.00 0.00 C ATOM 1021 OG SER A 56 -15.028 -0.482 -8.691 1.00 0.00 O ATOM 0 H SER A 56 -11.633 -1.297 -8.002 1.00 0.00 H new ATOM 0 HA SER A 56 -13.747 -2.257 -9.826 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.148 0.302 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.778 0.461 -10.026 1.00 0.00 H new ATOM 0 HG SER A 56 -15.465 0.358 -8.438 1.00 0.00 H new ATOM 1027 N LYS A 57 -12.643 -1.632 -11.969 1.00 0.00 N ATOM 1028 CA LYS A 57 -11.913 -1.447 -13.217 1.00 0.00 C ATOM 1029 C LYS A 57 -12.187 -0.069 -13.809 1.00 0.00 C ATOM 1030 O LYS A 57 -13.237 0.096 -14.466 1.00 0.00 O ATOM 1031 CB LYS A 57 -12.297 -2.532 -14.224 1.00 0.00 C ATOM 1032 CG LYS A 57 -11.927 -3.937 -13.774 1.00 0.00 C ATOM 1033 CD LYS A 57 -10.420 -4.116 -13.690 1.00 0.00 C ATOM 1034 CE LYS A 57 -9.754 -3.897 -15.040 1.00 0.00 C ATOM 1035 NZ LYS A 57 -8.752 -4.956 -15.342 1.00 0.00 N ATOM 1036 OXT LYS A 57 -11.349 0.837 -13.610 1.00 0.00 O ATOM 0 H LYS A 57 -13.557 -2.072 -12.076 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.848 -1.524 -12.999 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.371 -2.487 -14.402 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.807 -2.323 -15.175 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.373 -4.138 -12.800 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.343 -4.665 -14.471 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.010 -3.415 -12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.192 -5.119 -13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.514 -3.882 -15.822 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.267 -2.922 -15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.321 -4.771 -16.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.013 -4.954 -14.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.221 -5.884 -15.357 1.00 0.00 H new TER 1050 LYS A 57