USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 702 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 33 THR OG1 : rot -68:sc= 2.37 USER MOD Set 1.2: A 35 THR OG1 : rot 17:sc= 0.151 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.0638 K(o=-0.014,f=-2) USER MOD Set 2.2: A 25 TYR OH : rot -145:sc= 0.0496 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -130:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00178 USER MOD Single : A 9 LYS NZ :NH3+ -126:sc= 0.701 (180deg=-0.209) USER MOD Single : A 17 THR OG1 : rot -17:sc= 0.728 USER MOD Single : A 26 SER OG : rot 16:sc= 0.427 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0509 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 48 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.7!) USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0235) USER MOD Single : A 61 THR OG1 : rot 66:sc= 1.22 USER MOD Single : A 65 GLN : amide:sc= -0.732 X(o=-0.73,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 51:sc= 0.0291 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.572 -7.462 8.276 1.00 0.00 N ATOM 2 CA GLY A 1 -14.596 -8.916 8.470 1.00 0.00 C ATOM 3 C GLY A 1 -13.189 -9.466 8.375 1.00 0.00 C ATOM 4 O GLY A 1 -12.344 -9.102 9.195 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.540 -7.087 8.342 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.980 -7.024 9.010 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.179 -7.243 7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.026 -9.156 9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.231 -9.383 7.717 1.00 0.00 H new ATOM 8 N SER A 2 -12.918 -10.324 7.392 1.00 0.00 N ATOM 9 CA SER A 2 -11.563 -10.657 6.971 1.00 0.00 C ATOM 10 C SER A 2 -11.613 -11.267 5.565 1.00 0.00 C ATOM 11 O SER A 2 -12.686 -11.652 5.081 1.00 0.00 O ATOM 12 CB SER A 2 -10.865 -11.578 7.993 1.00 0.00 C ATOM 13 OG SER A 2 -11.719 -12.584 8.517 1.00 0.00 O ATOM 0 H SER A 2 -13.641 -10.810 6.862 1.00 0.00 H new ATOM 0 HA SER A 2 -10.960 -9.750 6.930 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.006 -12.052 7.518 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.481 -10.973 8.814 1.00 0.00 H new ATOM 0 HG SER A 2 -11.221 -13.136 9.156 1.00 0.00 H new ATOM 19 N SER A 3 -10.457 -11.369 4.916 1.00 0.00 N ATOM 20 CA SER A 3 -10.196 -12.264 3.798 1.00 0.00 C ATOM 21 C SER A 3 -8.680 -12.376 3.611 1.00 0.00 C ATOM 22 O SER A 3 -7.923 -11.704 4.317 1.00 0.00 O ATOM 23 CB SER A 3 -10.904 -11.782 2.524 1.00 0.00 C ATOM 24 OG SER A 3 -10.712 -10.406 2.237 1.00 0.00 O ATOM 0 H SER A 3 -9.644 -10.806 5.167 1.00 0.00 H new ATOM 0 HA SER A 3 -10.600 -13.254 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.548 -12.371 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.972 -11.976 2.620 1.00 0.00 H new ATOM 0 HG SER A 3 -11.190 -10.174 1.413 1.00 0.00 H new ATOM 30 N GLY A 4 -8.233 -13.190 2.658 1.00 0.00 N ATOM 31 CA GLY A 4 -6.859 -13.222 2.204 1.00 0.00 C ATOM 32 C GLY A 4 -6.813 -13.406 0.692 1.00 0.00 C ATOM 33 O GLY A 4 -7.765 -13.902 0.079 1.00 0.00 O ATOM 0 H GLY A 4 -8.834 -13.857 2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.354 -12.297 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.324 -14.036 2.694 1.00 0.00 H new ATOM 37 N SER A 5 -5.679 -13.039 0.102 1.00 0.00 N ATOM 38 CA SER A 5 -5.395 -13.179 -1.315 1.00 0.00 C ATOM 39 C SER A 5 -4.404 -14.318 -1.517 1.00 0.00 C ATOM 40 O SER A 5 -4.746 -15.317 -2.147 1.00 0.00 O ATOM 41 CB SER A 5 -4.882 -11.861 -1.901 1.00 0.00 C ATOM 42 OG SER A 5 -5.929 -10.923 -2.042 1.00 0.00 O ATOM 0 H SER A 5 -4.907 -12.621 0.621 1.00 0.00 H new ATOM 0 HA SER A 5 -6.313 -13.422 -1.850 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.107 -11.450 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.423 -12.046 -2.872 1.00 0.00 H new ATOM 0 HG SER A 5 -5.914 -10.550 -2.948 1.00 0.00 H new ATOM 48 N SER A 6 -3.189 -14.193 -0.980 1.00 0.00 N ATOM 49 CA SER A 6 -2.079 -15.105 -1.249 1.00 0.00 C ATOM 50 C SER A 6 -1.198 -15.271 -0.005 1.00 0.00 C ATOM 51 O SER A 6 -0.852 -16.398 0.343 1.00 0.00 O ATOM 52 CB SER A 6 -1.243 -14.602 -2.443 1.00 0.00 C ATOM 53 OG SER A 6 -2.027 -14.004 -3.469 1.00 0.00 O ATOM 0 H SER A 6 -2.946 -13.441 -0.335 1.00 0.00 H new ATOM 0 HA SER A 6 -2.493 -16.080 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.512 -13.877 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.684 -15.438 -2.864 1.00 0.00 H new ATOM 0 HG SER A 6 -1.442 -13.705 -4.196 1.00 0.00 H new ATOM 59 N GLY A 7 -0.877 -14.171 0.682 1.00 0.00 N ATOM 60 CA GLY A 7 -0.057 -14.152 1.884 1.00 0.00 C ATOM 61 C GLY A 7 0.427 -12.729 2.142 1.00 0.00 C ATOM 62 O GLY A 7 0.016 -12.099 3.117 1.00 0.00 O ATOM 0 H GLY A 7 -1.194 -13.242 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.633 -14.513 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.794 -14.822 1.768 1.00 0.00 H new ATOM 66 N PHE A 8 1.281 -12.205 1.258 1.00 0.00 N ATOM 67 CA PHE A 8 1.875 -10.873 1.373 1.00 0.00 C ATOM 68 C PHE A 8 0.802 -9.788 1.354 1.00 0.00 C ATOM 69 O PHE A 8 0.707 -8.995 2.288 1.00 0.00 O ATOM 70 CB PHE A 8 2.889 -10.635 0.246 1.00 0.00 C ATOM 71 CG PHE A 8 3.351 -9.191 0.145 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.180 -8.643 1.142 1.00 0.00 C ATOM 73 CD2 PHE A 8 2.899 -8.373 -0.909 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.577 -7.296 1.074 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.301 -7.031 -0.986 1.00 0.00 C ATOM 76 CZ PHE A 8 4.140 -6.494 0.006 1.00 0.00 C ATOM 0 H PHE A 8 1.584 -12.708 0.424 1.00 0.00 H new ATOM 0 HA PHE A 8 2.395 -10.822 2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.756 -11.276 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.443 -10.933 -0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.513 -9.260 1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.240 -8.781 -1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.215 -6.879 1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.967 -6.412 -1.805 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.450 -5.461 -0.053 1.00 0.00 H new ATOM 86 N LYS A 9 -0.010 -9.770 0.288 1.00 0.00 N ATOM 87 CA LYS A 9 -0.995 -8.717 0.035 1.00 0.00 C ATOM 88 C LYS A 9 -1.896 -8.512 1.256 1.00 0.00 C ATOM 89 O LYS A 9 -2.230 -7.375 1.560 1.00 0.00 O ATOM 90 CB LYS A 9 -1.803 -9.060 -1.234 1.00 0.00 C ATOM 91 CG LYS A 9 -2.711 -7.926 -1.753 1.00 0.00 C ATOM 92 CD LYS A 9 -3.464 -8.383 -3.017 1.00 0.00 C ATOM 93 CE LYS A 9 -4.203 -7.257 -3.751 1.00 0.00 C ATOM 94 NZ LYS A 9 -5.426 -6.771 -3.074 1.00 0.00 N ATOM 0 H LYS A 9 0.001 -10.495 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.481 -7.772 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.107 -9.340 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.420 -9.935 -1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.424 -7.639 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.111 -7.044 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.753 -8.843 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.183 -9.153 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.519 -6.418 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.472 -7.607 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.229 -6.817 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.624 -7.367 -2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.285 -5.787 -2.767 1.00 0.00 H new ATOM 108 N ALA A 10 -2.268 -9.596 1.944 1.00 0.00 N ATOM 109 CA ALA A 10 -3.151 -9.555 3.097 1.00 0.00 C ATOM 110 C ALA A 10 -2.476 -8.940 4.320 1.00 0.00 C ATOM 111 O ALA A 10 -3.061 -8.040 4.911 1.00 0.00 O ATOM 112 CB ALA A 10 -3.639 -10.965 3.398 1.00 0.00 C ATOM 0 H ALA A 10 -1.955 -10.537 1.706 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.999 -8.914 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.303 -10.944 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.179 -11.355 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.785 -11.608 3.612 1.00 0.00 H new ATOM 118 N GLU A 11 -1.267 -9.377 4.696 1.00 0.00 N ATOM 119 CA GLU A 11 -0.536 -8.752 5.809 1.00 0.00 C ATOM 120 C GLU A 11 -0.375 -7.260 5.547 1.00 0.00 C ATOM 121 O GLU A 11 -0.614 -6.428 6.416 1.00 0.00 O ATOM 122 CB GLU A 11 0.874 -9.339 5.953 1.00 0.00 C ATOM 123 CG GLU A 11 0.986 -10.608 6.793 1.00 0.00 C ATOM 124 CD GLU A 11 0.752 -10.424 8.299 1.00 0.00 C ATOM 125 OE1 GLU A 11 0.336 -9.343 8.767 1.00 0.00 O ATOM 126 OE2 GLU A 11 1.004 -11.402 9.048 1.00 0.00 O ATOM 0 H GLU A 11 -0.777 -10.153 4.252 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.110 -8.939 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.262 -9.551 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.520 -8.578 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.268 -11.337 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.978 -11.034 6.646 1.00 0.00 H new ATOM 133 N LEU A 12 0.043 -6.924 4.328 1.00 0.00 N ATOM 134 CA LEU A 12 0.279 -5.553 3.928 1.00 0.00 C ATOM 135 C LEU A 12 -1.016 -4.739 3.996 1.00 0.00 C ATOM 136 O LEU A 12 -0.988 -3.587 4.426 1.00 0.00 O ATOM 137 CB LEU A 12 0.856 -5.570 2.513 1.00 0.00 C ATOM 138 CG LEU A 12 1.472 -4.213 2.147 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.827 -4.011 2.840 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.594 -4.138 0.633 1.00 0.00 C ATOM 0 H LEU A 12 0.226 -7.605 3.591 1.00 0.00 H new ATOM 0 HA LEU A 12 0.986 -5.075 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.615 -6.349 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.070 -5.819 1.800 1.00 0.00 H new ATOM 0 HG LEU A 12 0.828 -3.406 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.238 -3.041 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.692 -4.050 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.515 -4.798 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.030 -3.180 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.233 -4.947 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.606 -4.234 0.183 1.00 0.00 H new ATOM 152 N ASN A 13 -2.141 -5.334 3.588 1.00 0.00 N ATOM 153 CA ASN A 13 -3.463 -4.733 3.690 1.00 0.00 C ATOM 154 C ASN A 13 -3.797 -4.468 5.150 1.00 0.00 C ATOM 155 O ASN A 13 -4.143 -3.347 5.480 1.00 0.00 O ATOM 156 CB ASN A 13 -4.528 -5.625 3.038 1.00 0.00 C ATOM 157 CG ASN A 13 -5.859 -4.913 2.850 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.153 -4.402 1.771 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.735 -4.895 3.833 1.00 0.00 N ATOM 0 H ASN A 13 -2.152 -6.265 3.170 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.457 -3.785 3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.165 -5.968 2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.679 -6.512 3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.647 -4.460 3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.501 -5.316 4.732 1.00 0.00 H new ATOM 166 N GLU A 14 -3.673 -5.462 6.031 1.00 0.00 N ATOM 167 CA GLU A 14 -3.953 -5.310 7.462 1.00 0.00 C ATOM 168 C GLU A 14 -3.062 -4.244 8.099 1.00 0.00 C ATOM 169 O GLU A 14 -3.524 -3.475 8.945 1.00 0.00 O ATOM 170 CB GLU A 14 -3.757 -6.638 8.208 1.00 0.00 C ATOM 171 CG GLU A 14 -4.740 -7.748 7.823 1.00 0.00 C ATOM 172 CD GLU A 14 -6.135 -7.624 8.440 1.00 0.00 C ATOM 173 OE1 GLU A 14 -6.636 -6.498 8.671 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.799 -8.673 8.631 1.00 0.00 O ATOM 0 H GLU A 14 -3.374 -6.402 5.771 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.994 -4.997 7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.742 -6.993 8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.843 -6.452 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.840 -7.763 6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.314 -8.707 8.117 1.00 0.00 H new ATOM 181 N PHE A 15 -1.787 -4.192 7.718 1.00 0.00 N ATOM 182 CA PHE A 15 -0.844 -3.186 8.176 1.00 0.00 C ATOM 183 C PHE A 15 -1.364 -1.793 7.797 1.00 0.00 C ATOM 184 O PHE A 15 -1.603 -0.961 8.673 1.00 0.00 O ATOM 185 CB PHE A 15 0.548 -3.519 7.618 1.00 0.00 C ATOM 186 CG PHE A 15 1.614 -2.494 7.935 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.304 -2.526 9.162 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.911 -1.495 6.991 1.00 0.00 C ATOM 189 CE1 PHE A 15 3.269 -1.543 9.448 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.875 -0.517 7.274 1.00 0.00 C ATOM 191 CZ PHE A 15 3.548 -0.533 8.508 1.00 0.00 C ATOM 0 H PHE A 15 -1.377 -4.864 7.069 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.748 -3.184 9.262 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.862 -4.485 8.013 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.475 -3.626 6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.093 -3.303 9.882 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.394 -1.481 6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.797 -1.563 10.390 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.100 0.247 6.545 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.279 0.229 8.735 1.00 0.00 H new ATOM 201 N LEU A 16 -1.593 -1.555 6.503 1.00 0.00 N ATOM 202 CA LEU A 16 -2.106 -0.287 5.980 1.00 0.00 C ATOM 203 C LEU A 16 -3.493 0.064 6.526 1.00 0.00 C ATOM 204 O LEU A 16 -3.713 1.229 6.833 1.00 0.00 O ATOM 205 CB LEU A 16 -2.198 -0.370 4.452 1.00 0.00 C ATOM 206 CG LEU A 16 -0.834 -0.385 3.747 1.00 0.00 C ATOM 207 CD1 LEU A 16 -1.014 -0.889 2.314 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.186 1.004 3.743 1.00 0.00 C ATOM 0 H LEU A 16 -1.424 -2.251 5.777 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.413 0.491 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.747 -1.271 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.776 0.478 4.086 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.169 -1.053 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.048 -0.902 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.427 -1.897 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.695 -0.228 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.778 0.955 3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.835 1.707 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.039 1.340 4.769 1.00 0.00 H new ATOM 220 N THR A 17 -4.412 -0.890 6.707 1.00 0.00 N ATOM 221 CA THR A 17 -5.740 -0.658 7.281 1.00 0.00 C ATOM 222 C THR A 17 -5.643 0.050 8.639 1.00 0.00 C ATOM 223 O THR A 17 -6.561 0.772 9.032 1.00 0.00 O ATOM 224 CB THR A 17 -6.479 -2.009 7.400 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.839 -2.502 6.130 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.781 -1.976 8.203 1.00 0.00 C ATOM 0 H THR A 17 -4.249 -1.864 6.453 1.00 0.00 H new ATOM 0 HA THR A 17 -6.306 0.001 6.623 1.00 0.00 H new ATOM 0 HB THR A 17 -5.757 -2.637 7.921 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.796 -1.776 5.473 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.220 -2.973 8.226 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.572 -1.648 9.221 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.480 -1.283 7.735 1.00 0.00 H new ATOM 234 N ARG A 18 -4.565 -0.204 9.382 1.00 0.00 N ATOM 235 CA ARG A 18 -4.307 0.395 10.675 1.00 0.00 C ATOM 236 C ARG A 18 -3.503 1.678 10.518 1.00 0.00 C ATOM 237 O ARG A 18 -3.873 2.700 11.093 1.00 0.00 O ATOM 238 CB ARG A 18 -3.652 -0.657 11.578 1.00 0.00 C ATOM 239 CG ARG A 18 -4.714 -1.556 12.237 1.00 0.00 C ATOM 240 CD ARG A 18 -5.289 -2.675 11.350 1.00 0.00 C ATOM 241 NE ARG A 18 -6.517 -3.338 11.829 1.00 0.00 N ATOM 242 CZ ARG A 18 -7.007 -3.544 13.058 1.00 0.00 C ATOM 243 NH1 ARG A 18 -6.418 -3.084 14.155 1.00 0.00 N ATOM 244 NH2 ARG A 18 -8.135 -4.231 13.174 1.00 0.00 N ATOM 0 H ARG A 18 -3.833 -0.850 9.086 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.234 0.701 11.160 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.966 -1.268 10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.060 -0.163 12.348 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.277 -2.011 13.126 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.537 -0.926 12.574 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.491 -2.257 10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.520 -3.436 11.222 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.104 -3.710 11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.553 -2.548 14.083 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.830 -3.267 15.070 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.604 -4.586 12.341 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.534 -4.405 14.097 1.00 0.00 H new ATOM 258 N GLU A 19 -2.425 1.668 9.735 1.00 0.00 N ATOM 259 CA GLU A 19 -1.582 2.843 9.521 1.00 0.00 C ATOM 260 C GLU A 19 -2.356 4.013 8.889 1.00 0.00 C ATOM 261 O GLU A 19 -2.116 5.176 9.231 1.00 0.00 O ATOM 262 CB GLU A 19 -0.362 2.425 8.673 1.00 0.00 C ATOM 263 CG GLU A 19 0.719 1.692 9.487 1.00 0.00 C ATOM 264 CD GLU A 19 1.178 2.455 10.734 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.722 3.568 10.623 1.00 0.00 O ATOM 266 OE2 GLU A 19 0.969 1.967 11.873 1.00 0.00 O ATOM 0 H GLU A 19 -2.111 0.840 9.229 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.239 3.216 10.486 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.696 1.780 7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.076 3.312 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.335 0.718 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.582 1.509 8.846 1.00 0.00 H new ATOM 273 N LEU A 20 -3.326 3.705 8.027 1.00 0.00 N ATOM 274 CA LEU A 20 -4.163 4.631 7.269 1.00 0.00 C ATOM 275 C LEU A 20 -5.622 4.537 7.736 1.00 0.00 C ATOM 276 O LEU A 20 -6.544 4.862 6.980 1.00 0.00 O ATOM 277 CB LEU A 20 -4.012 4.348 5.757 1.00 0.00 C ATOM 278 CG LEU A 20 -2.565 4.404 5.235 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.554 4.021 3.752 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.952 5.796 5.418 1.00 0.00 C ATOM 0 H LEU A 20 -3.563 2.733 7.827 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.837 5.655 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.424 3.362 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.612 5.071 5.204 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.963 3.701 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.532 4.058 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.948 3.012 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.174 4.720 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.930 5.797 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.544 6.529 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.945 6.054 6.477 1.00 0.00 H new ATOM 292 N ALA A 21 -5.840 4.075 8.976 1.00 0.00 N ATOM 293 CA ALA A 21 -7.156 3.914 9.579 1.00 0.00 C ATOM 294 C ALA A 21 -7.952 5.210 9.457 1.00 0.00 C ATOM 295 O ALA A 21 -9.009 5.231 8.827 1.00 0.00 O ATOM 296 CB ALA A 21 -7.020 3.487 11.048 1.00 0.00 C ATOM 0 H ALA A 21 -5.080 3.798 9.598 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.696 3.131 9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.011 3.370 11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.485 2.539 11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.467 4.248 11.598 1.00 0.00 H new ATOM 302 N GLU A 22 -7.440 6.301 10.024 1.00 0.00 N ATOM 303 CA GLU A 22 -8.120 7.590 9.997 1.00 0.00 C ATOM 304 C GLU A 22 -8.390 8.056 8.568 1.00 0.00 C ATOM 305 O GLU A 22 -9.473 8.580 8.300 1.00 0.00 O ATOM 306 CB GLU A 22 -7.283 8.628 10.755 1.00 0.00 C ATOM 307 CG GLU A 22 -7.600 8.607 12.253 1.00 0.00 C ATOM 308 CD GLU A 22 -8.881 9.380 12.572 1.00 0.00 C ATOM 309 OE1 GLU A 22 -10.004 8.912 12.288 1.00 0.00 O ATOM 310 OE2 GLU A 22 -8.762 10.510 13.101 1.00 0.00 O ATOM 0 H GLU A 22 -6.545 6.314 10.513 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.087 7.477 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.223 8.426 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.480 9.622 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.705 7.575 12.588 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.767 9.039 12.807 1.00 0.00 H new ATOM 317 N ASP A 23 -7.429 7.840 7.669 1.00 0.00 N ATOM 318 CA ASP A 23 -7.332 8.471 6.362 1.00 0.00 C ATOM 319 C ASP A 23 -8.551 8.189 5.495 1.00 0.00 C ATOM 320 O ASP A 23 -9.018 9.098 4.799 1.00 0.00 O ATOM 321 CB ASP A 23 -6.082 7.991 5.603 1.00 0.00 C ATOM 322 CG ASP A 23 -4.762 8.321 6.296 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.645 8.080 7.517 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.850 8.827 5.612 1.00 0.00 O ATOM 0 H ASP A 23 -6.664 7.189 7.845 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.268 9.543 6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.147 6.912 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.080 8.440 4.610 1.00 0.00 H new ATOM 329 N GLY A 24 -9.035 6.942 5.473 1.00 0.00 N ATOM 330 CA GLY A 24 -9.992 6.470 4.471 1.00 0.00 C ATOM 331 C GLY A 24 -9.360 5.485 3.506 1.00 0.00 C ATOM 332 O GLY A 24 -9.491 5.676 2.298 1.00 0.00 O ATOM 0 H GLY A 24 -8.771 6.230 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.837 5.997 4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.385 7.321 3.915 1.00 0.00 H new ATOM 336 N TYR A 25 -8.652 4.480 4.022 1.00 0.00 N ATOM 337 CA TYR A 25 -8.041 3.407 3.256 1.00 0.00 C ATOM 338 C TYR A 25 -9.111 2.529 2.581 1.00 0.00 C ATOM 339 O TYR A 25 -10.311 2.690 2.824 1.00 0.00 O ATOM 340 CB TYR A 25 -7.146 2.638 4.231 1.00 0.00 C ATOM 341 CG TYR A 25 -6.404 1.472 3.630 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.400 1.693 2.671 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.737 0.167 4.024 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.736 0.599 2.090 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.027 -0.921 3.500 1.00 0.00 C ATOM 346 CZ TYR A 25 -5.032 -0.708 2.530 1.00 0.00 C ATOM 347 OH TYR A 25 -4.368 -1.771 2.018 1.00 0.00 O ATOM 0 H TYR A 25 -8.485 4.393 5.024 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.438 3.787 2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.420 3.330 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.760 2.273 5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.140 2.700 2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.538 0.002 4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.004 0.758 1.312 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.244 -1.923 3.841 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.976 -2.537 1.956 1.00 0.00 H new ATOM 357 N SER A 26 -8.705 1.633 1.679 1.00 0.00 N ATOM 358 CA SER A 26 -9.611 0.842 0.848 1.00 0.00 C ATOM 359 C SER A 26 -9.005 -0.461 0.311 1.00 0.00 C ATOM 360 O SER A 26 -9.737 -1.402 -0.011 1.00 0.00 O ATOM 361 CB SER A 26 -9.996 1.701 -0.346 1.00 0.00 C ATOM 362 OG SER A 26 -10.967 2.681 0.003 1.00 0.00 O ATOM 0 H SER A 26 -7.720 1.434 1.504 1.00 0.00 H new ATOM 0 HA SER A 26 -10.455 0.558 1.476 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.108 2.193 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.389 1.066 -1.140 1.00 0.00 H new ATOM 0 HG SER A 26 -11.004 2.772 0.978 1.00 0.00 H new ATOM 368 N GLY A 27 -7.687 -0.521 0.161 1.00 0.00 N ATOM 369 CA GLY A 27 -6.986 -1.731 -0.240 1.00 0.00 C ATOM 370 C GLY A 27 -5.603 -1.426 -0.770 1.00 0.00 C ATOM 371 O GLY A 27 -5.103 -0.314 -0.632 1.00 0.00 O ATOM 0 H GLY A 27 -7.071 0.277 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.908 -2.406 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.563 -2.249 -1.006 1.00 0.00 H new ATOM 375 N VAL A 28 -4.945 -2.408 -1.362 1.00 0.00 N ATOM 376 CA VAL A 28 -3.610 -2.237 -1.899 1.00 0.00 C ATOM 377 C VAL A 28 -3.444 -3.295 -2.983 1.00 0.00 C ATOM 378 O VAL A 28 -3.905 -4.423 -2.810 1.00 0.00 O ATOM 379 CB VAL A 28 -2.587 -2.368 -0.756 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.730 -3.673 0.052 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.149 -2.174 -1.231 1.00 0.00 C ATOM 0 H VAL A 28 -5.324 -3.347 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.448 -1.253 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.825 -1.551 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.977 -3.697 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.724 -3.718 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.590 -4.528 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.469 -2.277 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.909 -2.926 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.040 -1.180 -1.665 1.00 0.00 H new ATOM 391 N GLU A 29 -2.766 -2.955 -4.069 1.00 0.00 N ATOM 392 CA GLU A 29 -2.358 -3.891 -5.111 1.00 0.00 C ATOM 393 C GLU A 29 -0.863 -4.164 -4.993 1.00 0.00 C ATOM 394 O GLU A 29 -0.117 -3.358 -4.421 1.00 0.00 O ATOM 395 CB GLU A 29 -2.724 -3.352 -6.505 1.00 0.00 C ATOM 396 CG GLU A 29 -4.019 -3.987 -7.027 1.00 0.00 C ATOM 397 CD GLU A 29 -3.826 -5.439 -7.462 1.00 0.00 C ATOM 398 OE1 GLU A 29 -3.747 -6.348 -6.597 1.00 0.00 O ATOM 399 OE2 GLU A 29 -3.785 -5.687 -8.693 1.00 0.00 O ATOM 0 H GLU A 29 -2.476 -1.995 -4.257 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.894 -4.831 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.840 -2.269 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.910 -3.556 -7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.781 -3.943 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.391 -3.405 -7.870 1.00 0.00 H new ATOM 406 N VAL A 30 -0.424 -5.293 -5.549 1.00 0.00 N ATOM 407 CA VAL A 30 0.969 -5.710 -5.608 1.00 0.00 C ATOM 408 C VAL A 30 1.286 -6.042 -7.061 1.00 0.00 C ATOM 409 O VAL A 30 0.477 -6.663 -7.752 1.00 0.00 O ATOM 410 CB VAL A 30 1.243 -6.884 -4.637 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.370 -8.130 -4.830 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.729 -7.282 -4.643 1.00 0.00 C ATOM 0 H VAL A 30 -1.056 -5.964 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 30 1.632 -4.911 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 30 0.961 -6.482 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.649 -8.887 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.679 -7.864 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.518 -8.526 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.887 -8.109 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.019 -7.589 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.335 -6.430 -4.335 1.00 0.00 H new ATOM 422 N ARG A 31 2.466 -5.642 -7.529 1.00 0.00 N ATOM 423 CA ARG A 31 2.936 -5.905 -8.878 1.00 0.00 C ATOM 424 C ARG A 31 4.401 -6.299 -8.797 1.00 0.00 C ATOM 425 O ARG A 31 5.204 -5.594 -8.189 1.00 0.00 O ATOM 426 CB ARG A 31 2.691 -4.662 -9.746 1.00 0.00 C ATOM 427 CG ARG A 31 1.368 -4.787 -10.511 1.00 0.00 C ATOM 428 CD ARG A 31 1.070 -3.491 -11.269 1.00 0.00 C ATOM 429 NE ARG A 31 0.405 -3.768 -12.551 1.00 0.00 N ATOM 430 CZ ARG A 31 0.630 -3.119 -13.693 1.00 0.00 C ATOM 431 NH1 ARG A 31 1.202 -1.922 -13.701 1.00 0.00 N ATOM 432 NH2 ARG A 31 0.284 -3.701 -14.832 1.00 0.00 N ATOM 0 H ARG A 31 3.133 -5.115 -6.965 1.00 0.00 H new ATOM 0 HA ARG A 31 2.395 -6.727 -9.347 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.671 -3.772 -9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.513 -4.536 -10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.421 -5.621 -11.210 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.557 -5.005 -9.816 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.437 -2.847 -10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.999 -2.949 -11.447 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.285 -4.519 -12.568 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.478 -1.483 -12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.366 -1.441 -14.585 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.145 -4.626 -14.822 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.446 -3.224 -15.719 1.00 0.00 H new ATOM 446 N VAL A 32 4.746 -7.444 -9.375 1.00 0.00 N ATOM 447 CA VAL A 32 6.106 -7.963 -9.429 1.00 0.00 C ATOM 448 C VAL A 32 6.605 -7.735 -10.856 1.00 0.00 C ATOM 449 O VAL A 32 5.879 -7.981 -11.831 1.00 0.00 O ATOM 450 CB VAL A 32 6.137 -9.431 -8.962 1.00 0.00 C ATOM 451 CG1 VAL A 32 7.577 -9.960 -8.892 1.00 0.00 C ATOM 452 CG2 VAL A 32 5.489 -9.572 -7.572 1.00 0.00 C ATOM 0 H VAL A 32 4.067 -8.053 -9.832 1.00 0.00 H new ATOM 0 HA VAL A 32 6.782 -7.448 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 32 5.575 -10.015 -9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.568 -10.998 -8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.035 -9.899 -9.879 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.152 -9.359 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.521 -10.616 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.035 -8.961 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.452 -9.239 -7.618 1.00 0.00 H new ATOM 462 N THR A 33 7.784 -7.129 -10.968 1.00 0.00 N ATOM 463 CA THR A 33 8.386 -6.666 -12.212 1.00 0.00 C ATOM 464 C THR A 33 9.757 -7.330 -12.424 1.00 0.00 C ATOM 465 O THR A 33 10.213 -8.082 -11.552 1.00 0.00 O ATOM 466 CB THR A 33 8.405 -5.127 -12.208 1.00 0.00 C ATOM 467 OG1 THR A 33 9.479 -4.648 -11.445 1.00 0.00 O ATOM 468 CG2 THR A 33 7.110 -4.510 -11.692 1.00 0.00 C ATOM 0 H THR A 33 8.371 -6.939 -10.156 1.00 0.00 H new ATOM 0 HA THR A 33 7.795 -6.968 -13.077 1.00 0.00 H new ATOM 0 HB THR A 33 8.518 -4.827 -13.250 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.325 -4.852 -10.499 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.190 -3.423 -11.715 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.279 -4.826 -12.323 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.933 -4.839 -10.668 1.00 0.00 H new ATOM 476 N PRO A 34 10.452 -7.081 -13.546 1.00 0.00 N ATOM 477 CA PRO A 34 11.858 -7.434 -13.661 1.00 0.00 C ATOM 478 C PRO A 34 12.796 -6.432 -12.954 1.00 0.00 C ATOM 479 O PRO A 34 14.006 -6.644 -13.012 1.00 0.00 O ATOM 480 CB PRO A 34 12.108 -7.519 -15.167 1.00 0.00 C ATOM 481 CG PRO A 34 11.167 -6.465 -15.739 1.00 0.00 C ATOM 482 CD PRO A 34 9.992 -6.423 -14.764 1.00 0.00 C ATOM 0 HA PRO A 34 12.078 -8.375 -13.157 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.148 -7.307 -15.415 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.884 -8.512 -15.556 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.657 -5.494 -15.811 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.838 -6.731 -16.744 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.690 -5.395 -14.561 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.123 -6.934 -15.179 1.00 0.00 H new ATOM 490 N THR A 35 12.300 -5.361 -12.314 1.00 0.00 N ATOM 491 CA THR A 35 13.137 -4.286 -11.771 1.00 0.00 C ATOM 492 C THR A 35 12.986 -4.118 -10.251 1.00 0.00 C ATOM 493 O THR A 35 13.990 -4.111 -9.532 1.00 0.00 O ATOM 494 CB THR A 35 12.875 -2.974 -12.542 1.00 0.00 C ATOM 495 OG1 THR A 35 11.495 -2.741 -12.781 1.00 0.00 O ATOM 496 CG2 THR A 35 13.563 -2.984 -13.907 1.00 0.00 C ATOM 0 H THR A 35 11.302 -5.218 -12.159 1.00 0.00 H new ATOM 0 HA THR A 35 14.180 -4.567 -11.920 1.00 0.00 H new ATOM 0 HB THR A 35 13.276 -2.187 -11.903 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.960 -3.305 -12.184 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.359 -2.046 -14.424 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.639 -3.097 -13.771 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.183 -3.816 -14.500 1.00 0.00 H new ATOM 504 N ARG A 36 11.759 -3.963 -9.742 1.00 0.00 N ATOM 505 CA ARG A 36 11.460 -3.829 -8.312 1.00 0.00 C ATOM 506 C ARG A 36 10.042 -4.308 -8.011 1.00 0.00 C ATOM 507 O ARG A 36 9.201 -4.339 -8.912 1.00 0.00 O ATOM 508 CB ARG A 36 11.648 -2.365 -7.873 1.00 0.00 C ATOM 509 CG ARG A 36 10.697 -1.349 -8.528 1.00 0.00 C ATOM 510 CD ARG A 36 11.117 0.090 -8.181 1.00 0.00 C ATOM 511 NE ARG A 36 12.333 0.499 -8.903 1.00 0.00 N ATOM 512 CZ ARG A 36 12.422 0.892 -10.180 1.00 0.00 C ATOM 513 NH1 ARG A 36 11.359 0.949 -10.977 1.00 0.00 N ATOM 514 NH2 ARG A 36 13.617 1.196 -10.656 1.00 0.00 N ATOM 0 H ARG A 36 10.925 -3.926 -10.328 1.00 0.00 H new ATOM 0 HA ARG A 36 12.151 -4.455 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.522 -2.309 -6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.674 -2.068 -8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.702 -1.484 -9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.677 -1.527 -8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.304 0.774 -8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.289 0.169 -7.108 1.00 0.00 H new ATOM 0 HE ARG A 36 13.204 0.481 -8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.440 0.689 -10.620 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.463 1.253 -11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.438 1.128 -10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.718 1.499 -11.625 1.00 0.00 H new ATOM 528 N THR A 37 9.737 -4.611 -6.752 1.00 0.00 N ATOM 529 CA THR A 37 8.348 -4.836 -6.375 1.00 0.00 C ATOM 530 C THR A 37 7.647 -3.473 -6.402 1.00 0.00 C ATOM 531 O THR A 37 8.251 -2.445 -6.076 1.00 0.00 O ATOM 532 CB THR A 37 8.274 -5.535 -5.006 1.00 0.00 C ATOM 533 OG1 THR A 37 9.037 -6.735 -5.022 1.00 0.00 O ATOM 534 CG2 THR A 37 6.829 -5.909 -4.647 1.00 0.00 C ATOM 0 H THR A 37 10.414 -4.704 -5.995 1.00 0.00 H new ATOM 0 HA THR A 37 7.840 -5.504 -7.070 1.00 0.00 H new ATOM 0 HB THR A 37 8.668 -4.835 -4.269 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.983 -7.169 -4.145 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.811 -6.401 -3.674 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.219 -5.007 -4.608 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.430 -6.585 -5.403 1.00 0.00 H new ATOM 542 N GLU A 38 6.361 -3.445 -6.735 1.00 0.00 N ATOM 543 CA GLU A 38 5.518 -2.264 -6.816 1.00 0.00 C ATOM 544 C GLU A 38 4.317 -2.513 -5.893 1.00 0.00 C ATOM 545 O GLU A 38 3.708 -3.585 -5.938 1.00 0.00 O ATOM 546 CB GLU A 38 5.103 -2.041 -8.282 1.00 0.00 C ATOM 547 CG GLU A 38 6.300 -1.693 -9.195 1.00 0.00 C ATOM 548 CD GLU A 38 5.967 -1.503 -10.685 1.00 0.00 C ATOM 549 OE1 GLU A 38 4.909 -1.967 -11.183 1.00 0.00 O ATOM 550 OE2 GLU A 38 6.810 -0.899 -11.399 1.00 0.00 O ATOM 0 H GLU A 38 5.852 -4.298 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 38 6.033 -1.359 -6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.614 -2.940 -8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.369 -1.236 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.762 -0.778 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.044 -2.484 -9.106 1.00 0.00 H new ATOM 557 N ILE A 39 3.999 -1.547 -5.029 1.00 0.00 N ATOM 558 CA ILE A 39 2.925 -1.599 -4.045 1.00 0.00 C ATOM 559 C ILE A 39 2.050 -0.385 -4.325 1.00 0.00 C ATOM 560 O ILE A 39 2.557 0.731 -4.276 1.00 0.00 O ATOM 561 CB ILE A 39 3.521 -1.554 -2.615 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.234 -2.874 -2.247 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.427 -1.234 -1.581 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.176 -2.740 -1.040 1.00 0.00 C ATOM 0 H ILE A 39 4.511 -0.665 -4.998 1.00 0.00 H new ATOM 0 HA ILE A 39 2.342 -2.518 -4.113 1.00 0.00 H new ATOM 0 HB ILE A 39 4.267 -0.759 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.485 -3.636 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.805 -3.223 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.866 -1.207 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.983 -0.265 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.656 -2.003 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.644 -3.703 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.947 -2.001 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.606 -2.421 -0.167 1.00 0.00 H new ATOM 576 N ILE A 40 0.762 -0.574 -4.611 1.00 0.00 N ATOM 577 CA ILE A 40 -0.123 0.508 -5.016 1.00 0.00 C ATOM 578 C ILE A 40 -1.267 0.576 -4.010 1.00 0.00 C ATOM 579 O ILE A 40 -2.213 -0.204 -4.080 1.00 0.00 O ATOM 580 CB ILE A 40 -0.581 0.350 -6.485 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.567 0.197 -7.517 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.387 1.614 -6.839 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.125 -1.220 -7.697 1.00 0.00 C ATOM 0 H ILE A 40 0.306 -1.485 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 40 0.400 1.464 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.156 -0.574 -6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.209 0.551 -8.484 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.385 0.853 -7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.733 1.548 -7.871 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.246 1.696 -6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.753 2.494 -6.724 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.921 -1.206 -8.441 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.523 -1.578 -6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.328 -1.885 -8.030 1.00 0.00 H new ATOM 595 N ILE A 41 -1.157 1.469 -3.031 1.00 0.00 N ATOM 596 CA ILE A 41 -2.144 1.676 -1.973 1.00 0.00 C ATOM 597 C ILE A 41 -3.368 2.302 -2.635 1.00 0.00 C ATOM 598 O ILE A 41 -3.262 3.189 -3.484 1.00 0.00 O ATOM 599 CB ILE A 41 -1.521 2.562 -0.872 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.307 1.819 -0.269 1.00 0.00 C ATOM 601 CG2 ILE A 41 -2.491 2.891 0.277 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.715 2.752 0.374 1.00 0.00 C ATOM 0 H ILE A 41 -0.352 2.090 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.448 0.750 -1.484 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.243 3.503 -1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.660 1.108 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.182 1.241 -1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.985 3.516 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.356 3.424 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.820 1.966 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.540 2.165 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.095 3.447 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.240 3.312 1.180 1.00 0.00 H new ATOM 614 N LEU A 42 -4.535 1.882 -2.175 1.00 0.00 N ATOM 615 CA LEU A 42 -5.869 2.338 -2.560 1.00 0.00 C ATOM 616 C LEU A 42 -6.507 2.997 -1.338 1.00 0.00 C ATOM 617 O LEU A 42 -6.661 2.345 -0.297 1.00 0.00 O ATOM 618 CB LEU A 42 -6.739 1.153 -3.039 1.00 0.00 C ATOM 619 CG LEU A 42 -6.163 0.297 -4.181 1.00 0.00 C ATOM 620 CD1 LEU A 42 -6.984 -0.984 -4.366 1.00 0.00 C ATOM 621 CD2 LEU A 42 -6.143 1.100 -5.481 1.00 0.00 C ATOM 0 H LEU A 42 -4.582 1.153 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.795 3.047 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.928 0.501 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.704 1.546 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.142 0.017 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.559 -1.574 -5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.962 -1.566 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.015 -0.724 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.734 0.485 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.158 1.402 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.523 1.987 -5.351 1.00 0.00 H new ATOM 633 N ALA A 43 -6.881 4.275 -1.437 1.00 0.00 N ATOM 634 CA ALA A 43 -7.521 5.047 -0.376 1.00 0.00 C ATOM 635 C ALA A 43 -8.363 6.173 -0.993 1.00 0.00 C ATOM 636 O ALA A 43 -8.263 6.452 -2.188 1.00 0.00 O ATOM 637 CB ALA A 43 -6.441 5.634 0.537 1.00 0.00 C ATOM 0 H ALA A 43 -6.740 4.817 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.175 4.401 0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.912 6.212 1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.855 4.825 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.786 6.283 -0.045 1.00 0.00 H new ATOM 643 N THR A 44 -9.181 6.846 -0.191 1.00 0.00 N ATOM 644 CA THR A 44 -10.054 7.909 -0.692 1.00 0.00 C ATOM 645 C THR A 44 -9.306 9.246 -0.872 1.00 0.00 C ATOM 646 O THR A 44 -9.619 10.012 -1.784 1.00 0.00 O ATOM 647 CB THR A 44 -11.235 8.085 0.276 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.829 8.184 1.626 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.209 6.920 0.196 1.00 0.00 C ATOM 0 H THR A 44 -9.260 6.676 0.812 1.00 0.00 H new ATOM 0 HA THR A 44 -10.415 7.615 -1.678 1.00 0.00 H new ATOM 0 HB THR A 44 -11.711 9.014 -0.037 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.617 8.296 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.029 7.083 0.895 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.605 6.846 -0.817 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.692 5.995 0.452 1.00 0.00 H new ATOM 657 N ARG A 45 -8.342 9.564 0.003 1.00 0.00 N ATOM 658 CA ARG A 45 -7.744 10.894 0.159 1.00 0.00 C ATOM 659 C ARG A 45 -6.231 10.759 0.018 1.00 0.00 C ATOM 660 O ARG A 45 -5.513 10.685 1.017 1.00 0.00 O ATOM 661 CB ARG A 45 -8.131 11.515 1.525 1.00 0.00 C ATOM 662 CG ARG A 45 -9.639 11.634 1.801 1.00 0.00 C ATOM 663 CD ARG A 45 -10.322 12.801 1.062 1.00 0.00 C ATOM 664 NE ARG A 45 -10.584 13.957 1.948 1.00 0.00 N ATOM 665 CZ ARG A 45 -11.558 14.029 2.869 1.00 0.00 C ATOM 666 NH1 ARG A 45 -12.369 13.004 3.082 1.00 0.00 N ATOM 667 NH2 ARG A 45 -11.734 15.127 3.593 1.00 0.00 N ATOM 0 H ARG A 45 -7.944 8.877 0.643 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.122 11.566 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.682 10.915 2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.689 12.509 1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.125 10.702 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.793 11.757 2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.692 13.119 0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.263 12.455 0.634 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.973 14.768 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.258 12.145 2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.105 13.073 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.124 15.933 3.454 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.479 15.165 4.289 1.00 0.00 H new ATOM 681 N THR A 46 -5.743 10.751 -1.218 1.00 0.00 N ATOM 682 CA THR A 46 -4.335 10.569 -1.563 1.00 0.00 C ATOM 683 C THR A 46 -3.414 11.495 -0.763 1.00 0.00 C ATOM 684 O THR A 46 -2.403 11.057 -0.215 1.00 0.00 O ATOM 685 CB THR A 46 -4.173 10.757 -3.084 1.00 0.00 C ATOM 686 OG1 THR A 46 -5.027 11.801 -3.532 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.542 9.478 -3.841 1.00 0.00 C ATOM 0 H THR A 46 -6.337 10.875 -2.037 1.00 0.00 H new ATOM 0 HA THR A 46 -4.030 9.558 -1.292 1.00 0.00 H new ATOM 0 HB THR A 46 -3.129 11.002 -3.280 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.920 11.919 -4.499 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.418 9.640 -4.912 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.892 8.665 -3.520 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.579 9.217 -3.631 1.00 0.00 H new ATOM 695 N GLN A 47 -3.775 12.773 -0.644 1.00 0.00 N ATOM 696 CA GLN A 47 -3.006 13.744 0.122 1.00 0.00 C ATOM 697 C GLN A 47 -2.800 13.334 1.584 1.00 0.00 C ATOM 698 O GLN A 47 -1.703 13.549 2.105 1.00 0.00 O ATOM 699 CB GLN A 47 -3.614 15.151 -0.011 1.00 0.00 C ATOM 700 CG GLN A 47 -5.143 15.257 0.168 1.00 0.00 C ATOM 701 CD GLN A 47 -5.662 16.653 -0.191 1.00 0.00 C ATOM 702 OE1 GLN A 47 -4.998 17.664 0.043 1.00 0.00 O ATOM 703 NE2 GLN A 47 -6.848 16.757 -0.769 1.00 0.00 N ATOM 0 H GLN A 47 -4.612 13.161 -1.079 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.006 13.769 -0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.138 15.800 0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.357 15.543 -0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.635 14.514 -0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.405 15.026 1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.396 15.919 -0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.214 17.675 -1.021 1.00 0.00 H new ATOM 712 N ASN A 48 -3.797 12.732 2.247 1.00 0.00 N ATOM 713 CA ASN A 48 -3.636 12.307 3.640 1.00 0.00 C ATOM 714 C ASN A 48 -2.626 11.169 3.721 1.00 0.00 C ATOM 715 O ASN A 48 -1.719 11.235 4.547 1.00 0.00 O ATOM 716 CB ASN A 48 -4.980 11.930 4.319 1.00 0.00 C ATOM 717 CG ASN A 48 -5.521 13.022 5.246 1.00 0.00 C ATOM 718 OD1 ASN A 48 -4.815 13.964 5.601 1.00 0.00 O ATOM 719 ND2 ASN A 48 -6.779 12.974 5.649 1.00 0.00 N ATOM 0 H ASN A 48 -4.713 12.531 1.845 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.255 13.160 4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.721 11.718 3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.844 11.012 4.891 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.152 13.712 6.246 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.377 12.199 5.363 1.00 0.00 H new ATOM 726 N VAL A 49 -2.718 10.199 2.809 1.00 0.00 N ATOM 727 CA VAL A 49 -1.800 9.066 2.756 1.00 0.00 C ATOM 728 C VAL A 49 -0.376 9.565 2.496 1.00 0.00 C ATOM 729 O VAL A 49 0.567 9.077 3.115 1.00 0.00 O ATOM 730 CB VAL A 49 -2.269 8.064 1.682 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.327 6.857 1.540 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.689 7.553 1.977 1.00 0.00 C ATOM 0 H VAL A 49 -3.436 10.180 2.084 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.796 8.544 3.713 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.261 8.616 0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.708 6.187 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.332 7.203 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.272 6.325 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.991 6.849 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.702 7.054 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.382 8.394 1.993 1.00 0.00 H new ATOM 742 N LEU A 50 -0.180 10.529 1.592 1.00 0.00 N ATOM 743 CA LEU A 50 1.162 11.030 1.306 1.00 0.00 C ATOM 744 C LEU A 50 1.766 11.734 2.520 1.00 0.00 C ATOM 745 O LEU A 50 2.985 11.700 2.684 1.00 0.00 O ATOM 746 CB LEU A 50 1.154 11.965 0.085 1.00 0.00 C ATOM 747 CG LEU A 50 0.920 11.229 -1.249 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.737 12.249 -2.379 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.097 10.311 -1.597 1.00 0.00 C ATOM 0 H LEU A 50 -0.924 10.972 1.053 1.00 0.00 H new ATOM 0 HA LEU A 50 1.789 10.169 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.376 12.717 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.105 12.495 0.037 1.00 0.00 H new ATOM 0 HG LEU A 50 0.023 10.620 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.572 11.724 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.123 12.883 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.632 12.866 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.899 9.808 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.007 10.904 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.223 9.567 -0.810 1.00 0.00 H new ATOM 761 N GLY A 51 0.954 12.362 3.373 1.00 0.00 N ATOM 762 CA GLY A 51 1.442 13.251 4.417 1.00 0.00 C ATOM 763 C GLY A 51 2.149 14.460 3.804 1.00 0.00 C ATOM 764 O GLY A 51 2.127 14.663 2.583 1.00 0.00 O ATOM 0 H GLY A 51 -0.061 12.265 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.610 13.585 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.129 12.713 5.069 1.00 0.00 H new ATOM 768 N GLU A 52 2.744 15.294 4.654 1.00 0.00 N ATOM 769 CA GLU A 52 3.314 16.573 4.257 1.00 0.00 C ATOM 770 C GLU A 52 4.382 16.365 3.177 1.00 0.00 C ATOM 771 O GLU A 52 5.427 15.771 3.442 1.00 0.00 O ATOM 772 CB GLU A 52 3.870 17.323 5.472 1.00 0.00 C ATOM 773 CG GLU A 52 4.254 18.749 5.057 1.00 0.00 C ATOM 774 CD GLU A 52 4.966 19.505 6.169 1.00 0.00 C ATOM 775 OE1 GLU A 52 4.269 20.079 7.038 1.00 0.00 O ATOM 776 OE2 GLU A 52 6.211 19.619 6.110 1.00 0.00 O ATOM 0 H GLU A 52 2.843 15.095 5.649 1.00 0.00 H new ATOM 0 HA GLU A 52 2.525 17.193 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.126 17.352 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.741 16.801 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.899 18.708 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.356 19.295 4.768 1.00 0.00 H new ATOM 783 N LYS A 53 4.106 16.815 1.948 1.00 0.00 N ATOM 784 CA LYS A 53 4.964 16.684 0.761 1.00 0.00 C ATOM 785 C LYS A 53 5.364 15.242 0.399 1.00 0.00 C ATOM 786 O LYS A 53 6.103 15.067 -0.572 1.00 0.00 O ATOM 787 CB LYS A 53 6.216 17.583 0.872 1.00 0.00 C ATOM 788 CG LYS A 53 5.911 19.074 1.105 1.00 0.00 C ATOM 789 CD LYS A 53 7.066 19.992 0.670 1.00 0.00 C ATOM 790 CE LYS A 53 7.267 20.029 -0.855 1.00 0.00 C ATOM 791 NZ LYS A 53 6.155 20.701 -1.560 1.00 0.00 N ATOM 0 H LYS A 53 3.235 17.305 1.742 1.00 0.00 H new ATOM 0 HA LYS A 53 4.340 17.025 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.837 17.220 1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.802 17.483 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.010 19.346 0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.702 19.237 2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.874 21.003 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.988 19.655 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.200 20.544 -1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.366 19.010 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.380 20.774 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.282 20.149 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.020 21.654 -1.166 1.00 0.00 H new ATOM 805 N GLY A 54 4.887 14.210 1.103 1.00 0.00 N ATOM 806 CA GLY A 54 5.374 12.838 0.975 1.00 0.00 C ATOM 807 C GLY A 54 5.863 12.221 2.292 1.00 0.00 C ATOM 808 O GLY A 54 6.223 11.048 2.309 1.00 0.00 O ATOM 0 H GLY A 54 4.139 14.310 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.575 12.217 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.190 12.819 0.253 1.00 0.00 H new ATOM 812 N ARG A 55 5.859 12.949 3.416 1.00 0.00 N ATOM 813 CA ARG A 55 6.289 12.457 4.733 1.00 0.00 C ATOM 814 C ARG A 55 5.770 11.060 5.073 1.00 0.00 C ATOM 815 O ARG A 55 6.588 10.186 5.356 1.00 0.00 O ATOM 816 CB ARG A 55 5.836 13.441 5.829 1.00 0.00 C ATOM 817 CG ARG A 55 6.852 14.516 6.227 1.00 0.00 C ATOM 818 CD ARG A 55 8.016 13.921 7.033 1.00 0.00 C ATOM 819 NE ARG A 55 9.249 13.807 6.238 1.00 0.00 N ATOM 820 CZ ARG A 55 10.136 14.791 6.051 1.00 0.00 C ATOM 821 NH1 ARG A 55 9.933 16.012 6.530 1.00 0.00 N ATOM 822 NH2 ARG A 55 11.245 14.560 5.367 1.00 0.00 N ATOM 0 H ARG A 55 5.549 13.921 3.436 1.00 0.00 H new ATOM 0 HA ARG A 55 7.376 12.387 4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.926 13.937 5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.575 12.868 6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.239 15.001 5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.356 15.286 6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.206 14.545 7.906 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.732 12.935 7.402 1.00 0.00 H new ATOM 0 HE ARG A 55 9.442 12.909 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.084 16.219 7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.626 16.743 6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.423 13.632 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.922 15.310 5.224 1.00 0.00 H new ATOM 836 N ARG A 56 4.451 10.838 5.074 1.00 0.00 N ATOM 837 CA ARG A 56 3.899 9.561 5.530 1.00 0.00 C ATOM 838 C ARG A 56 4.291 8.441 4.584 1.00 0.00 C ATOM 839 O ARG A 56 4.720 7.398 5.065 1.00 0.00 O ATOM 840 CB ARG A 56 2.366 9.613 5.690 1.00 0.00 C ATOM 841 CG ARG A 56 1.914 9.542 7.147 1.00 0.00 C ATOM 842 CD ARG A 56 2.255 10.815 7.920 1.00 0.00 C ATOM 843 NE ARG A 56 2.144 10.589 9.367 1.00 0.00 N ATOM 844 CZ ARG A 56 1.026 10.542 10.100 1.00 0.00 C ATOM 845 NH1 ARG A 56 -0.148 10.920 9.597 1.00 0.00 N ATOM 846 NH2 ARG A 56 1.083 10.124 11.356 1.00 0.00 N ATOM 0 H ARG A 56 3.755 11.518 4.768 1.00 0.00 H new ATOM 0 HA ARG A 56 4.324 9.362 6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.991 10.534 5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.920 8.786 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.838 9.374 7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.387 8.687 7.631 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.267 11.136 7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.584 11.620 7.620 1.00 0.00 H new ATOM 0 HE ARG A 56 3.020 10.452 9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.207 11.254 8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.988 10.876 10.174 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.976 9.840 11.759 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.234 10.086 11.920 1.00 0.00 H new ATOM 860 N ILE A 57 4.191 8.632 3.264 1.00 0.00 N ATOM 861 CA ILE A 57 4.594 7.581 2.328 1.00 0.00 C ATOM 862 C ILE A 57 6.092 7.267 2.508 1.00 0.00 C ATOM 863 O ILE A 57 6.509 6.114 2.404 1.00 0.00 O ATOM 864 CB ILE A 57 4.169 7.923 0.885 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.446 6.753 -0.080 1.00 0.00 C ATOM 866 CG2 ILE A 57 4.781 9.224 0.351 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.462 6.761 -1.257 1.00 0.00 C ATOM 0 H ILE A 57 3.842 9.486 2.828 1.00 0.00 H new ATOM 0 HA ILE A 57 4.064 6.655 2.553 1.00 0.00 H new ATOM 0 HB ILE A 57 3.093 8.090 0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.467 6.822 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.367 5.808 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.436 9.397 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.475 10.057 0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.868 9.144 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.682 5.925 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.443 6.667 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.561 7.697 -1.807 1.00 0.00 H new ATOM 879 N ARG A 58 6.916 8.270 2.831 1.00 0.00 N ATOM 880 CA ARG A 58 8.350 8.121 3.069 1.00 0.00 C ATOM 881 C ARG A 58 8.685 7.412 4.376 1.00 0.00 C ATOM 882 O ARG A 58 9.653 6.647 4.402 1.00 0.00 O ATOM 883 CB ARG A 58 9.018 9.505 3.016 1.00 0.00 C ATOM 884 CG ARG A 58 9.329 9.900 1.561 1.00 0.00 C ATOM 885 CD ARG A 58 10.586 10.755 1.455 1.00 0.00 C ATOM 886 NE ARG A 58 11.782 10.022 1.909 1.00 0.00 N ATOM 887 CZ ARG A 58 12.882 10.590 2.410 1.00 0.00 C ATOM 888 NH1 ARG A 58 12.924 11.895 2.662 1.00 0.00 N ATOM 889 NH2 ARG A 58 13.962 9.871 2.672 1.00 0.00 N ATOM 0 H ARG A 58 6.592 9.232 2.936 1.00 0.00 H new ATOM 0 HA ARG A 58 8.741 7.479 2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.362 10.249 3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.938 9.494 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.452 8.999 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.483 10.447 1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.724 11.073 0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.464 11.658 2.053 1.00 0.00 H new ATOM 0 HE ARG A 58 11.768 9.005 1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.108 12.477 2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.772 12.313 3.045 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.963 8.867 2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.794 10.321 3.054 1.00 0.00 H new ATOM 903 N GLU A 59 7.933 7.648 5.452 1.00 0.00 N ATOM 904 CA GLU A 59 8.046 6.873 6.679 1.00 0.00 C ATOM 905 C GLU A 59 7.591 5.444 6.394 1.00 0.00 C ATOM 906 O GLU A 59 8.377 4.516 6.577 1.00 0.00 O ATOM 907 CB GLU A 59 7.292 7.531 7.855 1.00 0.00 C ATOM 908 CG GLU A 59 8.287 8.188 8.830 1.00 0.00 C ATOM 909 CD GLU A 59 7.685 8.504 10.208 1.00 0.00 C ATOM 910 OE1 GLU A 59 7.567 7.579 11.041 1.00 0.00 O ATOM 911 OE2 GLU A 59 7.367 9.696 10.457 1.00 0.00 O ATOM 0 H GLU A 59 7.228 8.384 5.493 1.00 0.00 H new ATOM 0 HA GLU A 59 9.087 6.846 7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.596 8.280 7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.699 6.782 8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.144 7.527 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.661 9.111 8.386 1.00 0.00 H new ATOM 918 N LEU A 60 6.371 5.251 5.872 1.00 0.00 N ATOM 919 CA LEU A 60 5.807 3.929 5.591 1.00 0.00 C ATOM 920 C LEU A 60 6.699 3.109 4.672 1.00 0.00 C ATOM 921 O LEU A 60 6.843 1.915 4.919 1.00 0.00 O ATOM 922 CB LEU A 60 4.363 3.977 5.076 1.00 0.00 C ATOM 923 CG LEU A 60 3.317 4.340 6.154 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.925 4.078 5.569 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.437 3.543 7.469 1.00 0.00 C ATOM 0 H LEU A 60 5.744 6.019 5.632 1.00 0.00 H new ATOM 0 HA LEU A 60 5.768 3.421 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.302 4.705 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.108 3.006 4.651 1.00 0.00 H new ATOM 0 HG LEU A 60 3.491 5.385 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.166 4.326 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.781 4.695 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.836 3.026 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.662 3.867 8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.317 2.480 7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.417 3.718 7.912 1.00 0.00 H new ATOM 937 N THR A 61 7.369 3.725 3.696 1.00 0.00 N ATOM 938 CA THR A 61 8.384 3.066 2.882 1.00 0.00 C ATOM 939 C THR A 61 9.391 2.326 3.766 1.00 0.00 C ATOM 940 O THR A 61 9.647 1.140 3.539 1.00 0.00 O ATOM 941 CB THR A 61 9.094 4.104 1.996 1.00 0.00 C ATOM 942 OG1 THR A 61 8.214 4.594 1.008 1.00 0.00 O ATOM 943 CG2 THR A 61 10.344 3.552 1.300 1.00 0.00 C ATOM 0 H THR A 61 7.219 4.703 3.449 1.00 0.00 H new ATOM 0 HA THR A 61 7.899 2.330 2.241 1.00 0.00 H new ATOM 0 HB THR A 61 9.408 4.903 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.494 5.104 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.797 4.334 0.691 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.060 3.216 2.050 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.065 2.713 0.663 1.00 0.00 H new ATOM 951 N ALA A 62 9.969 3.025 4.746 1.00 0.00 N ATOM 952 CA ALA A 62 11.064 2.535 5.560 1.00 0.00 C ATOM 953 C ALA A 62 10.585 1.485 6.565 1.00 0.00 C ATOM 954 O ALA A 62 11.239 0.447 6.710 1.00 0.00 O ATOM 955 CB ALA A 62 11.721 3.719 6.268 1.00 0.00 C ATOM 0 H ALA A 62 9.675 3.970 4.995 1.00 0.00 H new ATOM 0 HA ALA A 62 11.797 2.045 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.547 3.362 6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.099 4.422 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.987 4.218 6.900 1.00 0.00 H new ATOM 961 N VAL A 63 9.457 1.720 7.251 1.00 0.00 N ATOM 962 CA VAL A 63 8.902 0.712 8.153 1.00 0.00 C ATOM 963 C VAL A 63 8.582 -0.546 7.338 1.00 0.00 C ATOM 964 O VAL A 63 9.044 -1.613 7.717 1.00 0.00 O ATOM 965 CB VAL A 63 7.736 1.250 9.024 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.674 2.000 8.254 1.00 0.00 C ATOM 967 CG2 VAL A 63 7.020 0.160 9.819 1.00 0.00 C ATOM 0 H VAL A 63 8.921 2.586 7.198 1.00 0.00 H new ATOM 0 HA VAL A 63 9.644 0.437 8.903 1.00 0.00 H new ATOM 0 HB VAL A 63 8.249 1.938 9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.899 2.340 8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.123 2.861 7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.233 1.341 7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.217 0.606 10.405 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.603 -0.576 9.132 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.729 -0.328 10.487 1.00 0.00 H new ATOM 977 N VAL A 64 7.903 -0.454 6.188 1.00 0.00 N ATOM 978 CA VAL A 64 7.614 -1.593 5.305 1.00 0.00 C ATOM 979 C VAL A 64 8.899 -2.318 4.927 1.00 0.00 C ATOM 980 O VAL A 64 8.945 -3.547 4.977 1.00 0.00 O ATOM 981 CB VAL A 64 6.857 -1.104 4.048 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.886 -2.068 2.848 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.404 -0.820 4.440 1.00 0.00 C ATOM 0 H VAL A 64 7.532 0.429 5.838 1.00 0.00 H new ATOM 0 HA VAL A 64 6.979 -2.302 5.836 1.00 0.00 H new ATOM 0 HB VAL A 64 7.378 -0.209 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.328 -1.634 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.918 -2.237 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.432 -3.017 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.852 -0.473 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.945 -1.732 4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.379 -0.052 5.213 1.00 0.00 H new ATOM 993 N GLN A 65 9.929 -1.566 4.537 1.00 0.00 N ATOM 994 CA GLN A 65 11.221 -2.093 4.139 1.00 0.00 C ATOM 995 C GLN A 65 11.750 -3.083 5.181 1.00 0.00 C ATOM 996 O GLN A 65 12.164 -4.183 4.811 1.00 0.00 O ATOM 997 CB GLN A 65 12.174 -0.925 3.828 1.00 0.00 C ATOM 998 CG GLN A 65 12.219 -0.608 2.332 1.00 0.00 C ATOM 999 CD GLN A 65 13.099 0.596 1.980 1.00 0.00 C ATOM 1000 OE1 GLN A 65 13.444 1.427 2.816 1.00 0.00 O ATOM 1001 NE2 GLN A 65 13.483 0.710 0.719 1.00 0.00 N ATOM 0 H GLN A 65 9.879 -0.548 4.490 1.00 0.00 H new ATOM 0 HA GLN A 65 11.131 -2.673 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.854 -0.039 4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.177 -1.172 4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.586 -1.483 1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.205 -0.420 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.191 0.015 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.071 1.493 0.434 1.00 0.00 H new ATOM 1010 N LYS A 66 11.617 -2.772 6.473 1.00 0.00 N ATOM 1011 CA LYS A 66 12.033 -3.635 7.562 1.00 0.00 C ATOM 1012 C LYS A 66 10.964 -4.678 7.898 1.00 0.00 C ATOM 1013 O LYS A 66 11.298 -5.831 8.166 1.00 0.00 O ATOM 1014 CB LYS A 66 12.359 -2.702 8.732 1.00 0.00 C ATOM 1015 CG LYS A 66 12.457 -3.451 10.054 1.00 0.00 C ATOM 1016 CD LYS A 66 12.948 -2.527 11.170 1.00 0.00 C ATOM 1017 CE LYS A 66 11.890 -2.423 12.264 1.00 0.00 C ATOM 1018 NZ LYS A 66 12.442 -1.783 13.468 1.00 0.00 N ATOM 0 H LYS A 66 11.208 -1.893 6.789 1.00 0.00 H new ATOM 0 HA LYS A 66 12.909 -4.228 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.301 -2.191 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.589 -1.934 8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.482 -3.860 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.139 -4.295 9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.879 -2.911 11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.164 -1.538 10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.039 -1.848 11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.520 -3.417 12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.704 -1.723 14.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.239 -2.347 13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.773 -0.826 13.231 1.00 0.00 H new ATOM 1032 N ARG A 67 9.684 -4.294 7.906 1.00 0.00 N ATOM 1033 CA ARG A 67 8.576 -5.148 8.339 1.00 0.00 C ATOM 1034 C ARG A 67 8.427 -6.363 7.441 1.00 0.00 C ATOM 1035 O ARG A 67 7.904 -7.381 7.886 1.00 0.00 O ATOM 1036 CB ARG A 67 7.248 -4.364 8.329 1.00 0.00 C ATOM 1037 CG ARG A 67 6.203 -4.934 9.312 1.00 0.00 C ATOM 1038 CD ARG A 67 5.091 -5.635 8.522 1.00 0.00 C ATOM 1039 NE ARG A 67 4.261 -6.553 9.309 1.00 0.00 N ATOM 1040 CZ ARG A 67 4.532 -7.837 9.556 1.00 0.00 C ATOM 1041 NH1 ARG A 67 5.705 -8.370 9.243 1.00 0.00 N ATOM 1042 NH2 ARG A 67 3.599 -8.588 10.117 1.00 0.00 N ATOM 0 H ARG A 67 9.385 -3.366 7.607 1.00 0.00 H new ATOM 0 HA ARG A 67 8.806 -5.478 9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.446 -3.322 8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.834 -4.375 7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.677 -5.637 9.997 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.783 -4.132 9.919 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.447 -4.876 8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.543 -6.190 7.700 1.00 0.00 H new ATOM 0 HE ARG A 67 3.399 -6.177 9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.425 -7.796 8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.888 -9.354 9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.693 -8.184 10.353 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.786 -9.571 10.314 1.00 0.00 H new ATOM 1056 N PHE A 68 8.797 -6.233 6.170 1.00 0.00 N ATOM 1057 CA PHE A 68 8.638 -7.272 5.168 1.00 0.00 C ATOM 1058 C PHE A 68 10.012 -7.736 4.651 1.00 0.00 C ATOM 1059 O PHE A 68 10.096 -8.769 3.990 1.00 0.00 O ATOM 1060 CB PHE A 68 7.653 -6.761 4.094 1.00 0.00 C ATOM 1061 CG PHE A 68 6.230 -6.553 4.594 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.309 -7.618 4.522 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.810 -5.307 5.111 1.00 0.00 C ATOM 1064 CE1 PHE A 68 3.979 -7.448 4.947 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.470 -5.130 5.505 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.565 -6.204 5.448 1.00 0.00 C ATOM 0 H PHE A 68 9.225 -5.382 5.804 1.00 0.00 H new ATOM 0 HA PHE A 68 8.195 -8.178 5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.027 -5.818 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.635 -7.472 3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.628 -8.575 4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.514 -4.493 5.204 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.281 -8.270 4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.136 -4.164 5.853 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.549 -6.072 5.790 1.00 0.00 H new ATOM 1076 N GLY A 69 11.109 -7.054 5.012 1.00 0.00 N ATOM 1077 CA GLY A 69 12.459 -7.412 4.596 1.00 0.00 C ATOM 1078 C GLY A 69 12.615 -7.222 3.090 1.00 0.00 C ATOM 1079 O GLY A 69 13.000 -8.155 2.377 1.00 0.00 O ATOM 0 H GLY A 69 11.075 -6.228 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.186 -6.795 5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.667 -8.448 4.862 1.00 0.00 H new ATOM 1083 N PHE A 70 12.242 -6.045 2.585 1.00 0.00 N ATOM 1084 CA PHE A 70 12.392 -5.702 1.177 1.00 0.00 C ATOM 1085 C PHE A 70 13.844 -5.325 0.882 1.00 0.00 C ATOM 1086 O PHE A 70 14.511 -4.739 1.740 1.00 0.00 O ATOM 1087 CB PHE A 70 11.467 -4.532 0.807 1.00 0.00 C ATOM 1088 CG PHE A 70 10.085 -4.975 0.382 1.00 0.00 C ATOM 1089 CD1 PHE A 70 9.905 -5.577 -0.877 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.987 -4.812 1.245 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.646 -6.062 -1.252 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.716 -5.273 0.857 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.553 -5.914 -0.385 1.00 0.00 C ATOM 0 H PHE A 70 11.826 -5.302 3.147 1.00 0.00 H new ATOM 0 HA PHE A 70 12.117 -6.570 0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.379 -3.862 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.922 -3.959 -0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.740 -5.665 -1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.119 -4.334 2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.517 -6.549 -2.207 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.867 -5.135 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.583 -6.293 -0.672 1.00 0.00 H new ATOM 1103 N PRO A 71 14.324 -5.561 -0.348 1.00 0.00 N ATOM 1104 CA PRO A 71 15.531 -4.921 -0.832 1.00 0.00 C ATOM 1105 C PRO A 71 15.327 -3.408 -0.883 1.00 0.00 C ATOM 1106 O PRO A 71 14.451 -2.923 -1.607 1.00 0.00 O ATOM 1107 CB PRO A 71 15.811 -5.539 -2.206 1.00 0.00 C ATOM 1108 CG PRO A 71 14.456 -6.077 -2.666 1.00 0.00 C ATOM 1109 CD PRO A 71 13.766 -6.445 -1.361 1.00 0.00 C ATOM 0 HA PRO A 71 16.389 -5.080 -0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.201 -4.797 -2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.553 -6.335 -2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.893 -5.327 -3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.567 -6.942 -3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.687 -6.315 -1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.943 -7.490 -1.107 1.00 0.00 H new ATOM 1117 N GLU A 72 16.144 -2.666 -0.129 1.00 0.00 N ATOM 1118 CA GLU A 72 16.285 -1.226 -0.309 1.00 0.00 C ATOM 1119 C GLU A 72 16.634 -0.967 -1.779 1.00 0.00 C ATOM 1120 O GLU A 72 17.262 -1.804 -2.433 1.00 0.00 O ATOM 1121 CB GLU A 72 17.333 -0.660 0.669 1.00 0.00 C ATOM 1122 CG GLU A 72 16.826 0.467 1.576 1.00 0.00 C ATOM 1123 CD GLU A 72 16.714 1.813 0.859 1.00 0.00 C ATOM 1124 OE1 GLU A 72 15.923 1.931 -0.100 1.00 0.00 O ATOM 1125 OE2 GLU A 72 17.379 2.792 1.270 1.00 0.00 O ATOM 0 H GLU A 72 16.722 -3.049 0.619 1.00 0.00 H new ATOM 0 HA GLU A 72 15.354 -0.708 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.701 -1.473 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 72 18.182 -0.290 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.849 0.192 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 72 17.499 0.571 2.427 1.00 0.00 H new ATOM 1132 N GLY A 73 16.148 0.141 -2.330 1.00 0.00 N ATOM 1133 CA GLY A 73 16.287 0.494 -3.738 1.00 0.00 C ATOM 1134 C GLY A 73 15.436 -0.357 -4.689 1.00 0.00 C ATOM 1135 O GLY A 73 15.387 -0.042 -5.876 1.00 0.00 O ATOM 0 H GLY A 73 15.632 0.838 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.016 1.542 -3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.335 0.398 -4.023 1.00 0.00 H new ATOM 1139 N SER A 74 14.742 -1.403 -4.226 1.00 0.00 N ATOM 1140 CA SER A 74 13.915 -2.269 -5.058 1.00 0.00 C ATOM 1141 C SER A 74 12.548 -2.545 -4.415 1.00 0.00 C ATOM 1142 O SER A 74 11.992 -3.642 -4.524 1.00 0.00 O ATOM 1143 CB SER A 74 14.674 -3.550 -5.382 1.00 0.00 C ATOM 1144 OG SER A 74 15.870 -3.325 -6.111 1.00 0.00 O ATOM 0 H SER A 74 14.743 -1.672 -3.242 1.00 0.00 H new ATOM 0 HA SER A 74 13.704 -1.754 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.915 -4.066 -4.453 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.026 -4.213 -5.956 1.00 0.00 H new ATOM 0 HG SER A 74 16.312 -4.182 -6.287 1.00 0.00 H new ATOM 1150 N VAL A 75 11.969 -1.515 -3.811 1.00 0.00 N ATOM 1151 CA VAL A 75 10.566 -1.445 -3.428 1.00 0.00 C ATOM 1152 C VAL A 75 10.137 0.002 -3.719 1.00 0.00 C ATOM 1153 O VAL A 75 10.922 0.921 -3.459 1.00 0.00 O ATOM 1154 CB VAL A 75 10.417 -1.932 -1.960 1.00 0.00 C ATOM 1155 CG1 VAL A 75 11.289 -1.191 -0.930 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.970 -1.954 -1.449 1.00 0.00 C ATOM 0 H VAL A 75 12.486 -0.671 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 75 9.899 -2.102 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 75 10.785 -2.955 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.111 -1.605 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.341 -1.311 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.033 -0.131 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.954 -2.306 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.552 -0.948 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.375 -2.624 -2.070 1.00 0.00 H new ATOM 1166 N GLU A 76 8.938 0.222 -4.253 1.00 0.00 N ATOM 1167 CA GLU A 76 8.320 1.539 -4.421 1.00 0.00 C ATOM 1168 C GLU A 76 6.897 1.489 -3.861 1.00 0.00 C ATOM 1169 O GLU A 76 6.173 0.525 -4.127 1.00 0.00 O ATOM 1170 CB GLU A 76 8.268 1.962 -5.903 1.00 0.00 C ATOM 1171 CG GLU A 76 8.842 3.368 -6.161 1.00 0.00 C ATOM 1172 CD GLU A 76 8.213 4.520 -5.361 1.00 0.00 C ATOM 1173 OE1 GLU A 76 8.545 4.664 -4.158 1.00 0.00 O ATOM 1174 OE2 GLU A 76 7.459 5.343 -5.921 1.00 0.00 O ATOM 0 H GLU A 76 8.348 -0.537 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 76 8.924 2.272 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.822 1.237 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.234 1.932 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.910 3.346 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.735 3.591 -7.223 1.00 0.00 H new ATOM 1181 N LEU A 77 6.487 2.536 -3.149 1.00 0.00 N ATOM 1182 CA LEU A 77 5.094 2.731 -2.721 1.00 0.00 C ATOM 1183 C LEU A 77 4.439 3.749 -3.647 1.00 0.00 C ATOM 1184 O LEU A 77 4.959 4.855 -3.825 1.00 0.00 O ATOM 1185 CB LEU A 77 5.037 3.235 -1.267 1.00 0.00 C ATOM 1186 CG LEU A 77 4.999 2.113 -0.217 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.193 1.159 -0.280 1.00 0.00 C ATOM 1188 CD2 LEU A 77 4.956 2.720 1.189 1.00 0.00 C ATOM 0 H LEU A 77 7.114 3.282 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 77 4.564 1.780 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.905 3.866 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.154 3.863 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 77 4.103 1.534 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.091 0.397 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.226 0.681 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.115 1.718 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.929 1.921 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.843 3.333 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.065 3.339 1.291 1.00 0.00 H new ATOM 1200 N TYR A 78 3.275 3.411 -4.187 1.00 0.00 N ATOM 1201 CA TYR A 78 2.454 4.269 -5.021 1.00 0.00 C ATOM 1202 C TYR A 78 1.118 4.522 -4.333 1.00 0.00 C ATOM 1203 O TYR A 78 0.690 3.762 -3.457 1.00 0.00 O ATOM 1204 CB TYR A 78 2.244 3.624 -6.394 1.00 0.00 C ATOM 1205 CG TYR A 78 3.511 3.272 -7.148 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.153 4.251 -7.930 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.047 1.969 -7.084 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.314 3.935 -8.654 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.197 1.648 -7.812 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.825 2.622 -8.610 1.00 0.00 C ATOM 1211 OH TYR A 78 6.920 2.278 -9.333 1.00 0.00 O ATOM 0 H TYR A 78 2.862 2.489 -4.047 1.00 0.00 H new ATOM 0 HA TYR A 78 2.959 5.224 -5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.655 2.716 -6.264 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.652 4.302 -7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.750 5.252 -7.973 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.569 1.218 -6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.812 4.693 -9.241 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.605 0.649 -7.762 1.00 0.00 H new ATOM 0 HH TYR A 78 7.130 1.333 -9.179 1.00 0.00 H new ATOM 1221 N ALA A 79 0.451 5.586 -4.767 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.743 6.124 -4.150 1.00 0.00 C ATOM 1223 C ALA A 79 -1.801 6.309 -5.228 1.00 0.00 C ATOM 1224 O ALA A 79 -1.725 7.236 -6.041 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.359 7.449 -3.473 1.00 0.00 C ATOM 0 H ALA A 79 0.743 6.113 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.156 5.457 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.238 7.883 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.407 7.264 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.027 8.141 -4.221 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.848 5.482 -5.204 1.00 0.00 N ATOM 1232 CA GLU A 80 -4.031 5.584 -6.066 1.00 0.00 C ATOM 1233 C GLU A 80 -5.173 6.172 -5.250 1.00 0.00 C ATOM 1234 O GLU A 80 -5.204 6.070 -4.017 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.450 4.181 -6.577 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.321 3.930 -8.095 1.00 0.00 C ATOM 1237 CD GLU A 80 -5.603 3.332 -8.695 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -5.800 2.095 -8.613 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -6.405 4.128 -9.231 1.00 0.00 O ATOM 0 H GLU A 80 -2.899 4.693 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.800 6.218 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.849 3.436 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.488 4.010 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.090 4.869 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.486 3.255 -8.280 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.139 6.778 -5.945 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.362 7.235 -5.350 1.00 0.00 C ATOM 1248 C LYS A 81 -8.462 6.288 -5.803 1.00 0.00 C ATOM 1249 O LYS A 81 -8.437 5.784 -6.925 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.596 8.676 -5.784 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.957 9.137 -5.266 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.149 10.646 -5.319 1.00 0.00 C ATOM 1253 CE LYS A 81 -9.189 11.078 -6.784 1.00 0.00 C ATOM 1254 NZ LYS A 81 -9.311 12.533 -6.958 1.00 0.00 N ATOM 0 H LYS A 81 -6.077 6.959 -6.947 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.335 7.230 -4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.807 9.319 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.561 8.752 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.741 8.658 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.078 8.799 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.074 10.928 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.335 11.150 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.282 10.734 -7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.029 10.588 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.333 12.761 -7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.189 12.864 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.497 13.005 -6.515 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.455 6.107 -4.948 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.549 5.182 -5.192 1.00 0.00 C ATOM 1270 C VAL A 82 -11.747 5.983 -5.685 1.00 0.00 C ATOM 1271 O VAL A 82 -11.997 7.105 -5.232 1.00 0.00 O ATOM 1272 CB VAL A 82 -10.879 4.447 -3.894 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -12.039 3.463 -4.021 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -9.680 3.671 -3.338 1.00 0.00 C ATOM 0 H VAL A 82 -9.525 6.602 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.278 4.442 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.164 5.248 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.214 2.980 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.938 3.998 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.795 2.707 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.969 3.167 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.355 2.931 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.862 4.362 -3.133 1.00 0.00 H new ATOM 1284 N ALA A 83 -12.523 5.365 -6.561 1.00 0.00 N ATOM 1285 CA ALA A 83 -13.626 5.963 -7.303 1.00 0.00 C ATOM 1286 C ALA A 83 -14.754 4.960 -7.549 1.00 0.00 C ATOM 1287 O ALA A 83 -15.923 5.308 -7.382 1.00 0.00 O ATOM 1288 CB ALA A 83 -13.080 6.454 -8.644 1.00 0.00 C ATOM 0 H ALA A 83 -12.395 4.379 -6.787 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.041 6.785 -6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.886 6.907 -9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.298 7.193 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.666 5.612 -9.198 1.00 0.00 H new ATOM 1294 N THR A 84 -14.393 3.742 -7.960 1.00 0.00 N ATOM 1295 CA THR A 84 -15.239 2.599 -8.293 1.00 0.00 C ATOM 1296 C THR A 84 -16.591 2.985 -8.904 1.00 0.00 C ATOM 1297 O THR A 84 -17.644 2.668 -8.344 1.00 0.00 O ATOM 1298 CB THR A 84 -15.336 1.628 -7.100 1.00 0.00 C ATOM 1299 OG1 THR A 84 -15.921 2.231 -5.959 1.00 0.00 O ATOM 1300 CG2 THR A 84 -13.961 1.092 -6.691 1.00 0.00 C ATOM 0 H THR A 84 -13.406 3.512 -8.078 1.00 0.00 H new ATOM 0 HA THR A 84 -14.749 2.057 -9.102 1.00 0.00 H new ATOM 0 HB THR A 84 -15.970 0.811 -7.445 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.765 2.660 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.072 0.411 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.514 0.559 -7.530 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.317 1.923 -6.404 1.00 0.00 H new ATOM 1308 N ARG A 85 -16.575 3.594 -10.095 1.00 0.00 N ATOM 1309 CA ARG A 85 -17.756 4.141 -10.772 1.00 0.00 C ATOM 1310 C ARG A 85 -18.446 5.166 -9.872 1.00 0.00 C ATOM 1311 O ARG A 85 -19.416 4.868 -9.168 1.00 0.00 O ATOM 1312 CB ARG A 85 -18.685 3.018 -11.291 1.00 0.00 C ATOM 1313 CG ARG A 85 -19.744 3.514 -12.296 1.00 0.00 C ATOM 1314 CD ARG A 85 -21.153 3.716 -11.726 1.00 0.00 C ATOM 1315 NE ARG A 85 -21.756 2.449 -11.284 1.00 0.00 N ATOM 1316 CZ ARG A 85 -22.915 1.909 -11.676 1.00 0.00 C ATOM 1317 NH1 ARG A 85 -23.668 2.460 -12.629 1.00 0.00 N ATOM 1318 NH2 ARG A 85 -23.292 0.789 -11.087 1.00 0.00 N ATOM 0 H ARG A 85 -15.716 3.724 -10.629 1.00 0.00 H new ATOM 0 HA ARG A 85 -17.446 4.678 -11.669 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -18.079 2.246 -11.765 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -19.189 2.553 -10.444 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -19.403 4.459 -12.719 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -19.802 2.800 -13.117 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -21.108 4.409 -10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -21.788 4.175 -12.484 1.00 0.00 H new ATOM 0 HE ARG A 85 -21.225 1.917 -10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -23.365 3.321 -13.084 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -24.547 2.020 -12.903 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -22.706 0.371 -10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -24.169 0.342 -11.355 1.00 0.00 H new ATOM 1332 N GLY A 86 -17.941 6.394 -9.896 1.00 0.00 N ATOM 1333 CA GLY A 86 -18.583 7.523 -9.252 1.00 0.00 C ATOM 1334 C GLY A 86 -17.871 8.798 -9.659 1.00 0.00 C ATOM 1335 O GLY A 86 -17.119 9.356 -8.859 1.00 0.00 O ATOM 0 H GLY A 86 -17.068 6.631 -10.367 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -19.634 7.571 -9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.553 7.405 -8.169 1.00 0.00 H new ATOM 1339 N SER A 87 -18.065 9.239 -10.901 1.00 0.00 N ATOM 1340 CA SER A 87 -17.636 10.562 -11.333 1.00 0.00 C ATOM 1341 C SER A 87 -18.481 11.060 -12.512 1.00 0.00 C ATOM 1342 O SER A 87 -19.349 10.338 -13.014 1.00 0.00 O ATOM 1343 CB SER A 87 -16.124 10.574 -11.610 1.00 0.00 C ATOM 1344 OG SER A 87 -15.688 9.538 -12.480 1.00 0.00 O ATOM 0 H SER A 87 -18.521 8.691 -11.630 1.00 0.00 H new ATOM 0 HA SER A 87 -17.807 11.274 -10.526 1.00 0.00 H new ATOM 0 HB2 SER A 87 -15.852 11.537 -12.043 1.00 0.00 H new ATOM 0 HB3 SER A 87 -15.591 10.488 -10.663 1.00 0.00 H new ATOM 0 HG SER A 87 -14.719 9.608 -12.612 1.00 0.00 H new ATOM 1350 N GLY A 88 -18.232 12.295 -12.950 1.00 0.00 N ATOM 1351 CA GLY A 88 -18.921 12.953 -14.045 1.00 0.00 C ATOM 1352 C GLY A 88 -17.917 13.835 -14.787 1.00 0.00 C ATOM 1353 O GLY A 88 -17.879 15.039 -14.524 1.00 0.00 O ATOM 0 H GLY A 88 -17.513 12.883 -12.529 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.349 12.214 -14.722 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -19.747 13.555 -13.666 1.00 0.00 H new ATOM 1357 N PRO A 89 -17.071 13.265 -15.664 1.00 0.00 N ATOM 1358 CA PRO A 89 -16.087 14.032 -16.419 1.00 0.00 C ATOM 1359 C PRO A 89 -16.762 14.900 -17.489 1.00 0.00 C ATOM 1360 O PRO A 89 -17.947 14.727 -17.782 1.00 0.00 O ATOM 1361 CB PRO A 89 -15.147 12.985 -17.028 1.00 0.00 C ATOM 1362 CG PRO A 89 -16.019 11.740 -17.160 1.00 0.00 C ATOM 1363 CD PRO A 89 -16.956 11.843 -15.959 1.00 0.00 C ATOM 0 HA PRO A 89 -15.540 14.734 -15.790 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.763 13.308 -17.996 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -14.284 12.802 -16.387 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -16.569 11.732 -18.101 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -15.425 10.827 -17.130 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -17.931 11.411 -16.186 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -16.557 11.298 -15.104 1.00 0.00 H new ATOM 1371 N SER A 90 -15.997 15.791 -18.114 1.00 0.00 N ATOM 1372 CA SER A 90 -16.417 16.618 -19.232 1.00 0.00 C ATOM 1373 C SER A 90 -15.254 16.730 -20.224 1.00 0.00 C ATOM 1374 O SER A 90 -14.125 16.337 -19.916 1.00 0.00 O ATOM 1375 CB SER A 90 -16.861 17.981 -18.682 1.00 0.00 C ATOM 1376 OG SER A 90 -17.336 18.836 -19.705 1.00 0.00 O ATOM 0 H SER A 90 -15.029 15.960 -17.841 1.00 0.00 H new ATOM 0 HA SER A 90 -17.261 16.182 -19.767 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.645 17.834 -17.939 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.023 18.457 -18.172 1.00 0.00 H new ATOM 0 HG SER A 90 -17.610 19.692 -19.315 1.00 0.00 H new ATOM 1382 N SER A 91 -15.541 17.289 -21.397 1.00 0.00 N ATOM 1383 CA SER A 91 -14.582 17.661 -22.422 1.00 0.00 C ATOM 1384 C SER A 91 -14.988 19.036 -22.965 1.00 0.00 C ATOM 1385 O SER A 91 -14.431 20.051 -22.545 1.00 0.00 O ATOM 1386 CB SER A 91 -14.537 16.604 -23.535 1.00 0.00 C ATOM 1387 OG SER A 91 -14.085 15.334 -23.111 1.00 0.00 O ATOM 0 H SER A 91 -16.501 17.504 -21.668 1.00 0.00 H new ATOM 0 HA SER A 91 -13.577 17.714 -22.003 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.535 16.498 -23.961 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.886 16.961 -24.333 1.00 0.00 H new ATOM 0 HG SER A 91 -14.085 14.716 -23.872 1.00 0.00 H new ATOM 1393 N GLY A 92 -15.995 19.077 -23.840 1.00 0.00 N ATOM 1394 CA GLY A 92 -16.098 20.089 -24.883 1.00 0.00 C ATOM 1395 C GLY A 92 -15.359 19.548 -26.096 1.00 0.00 C ATOM 1396 O GLY A 92 -15.167 18.316 -26.158 1.00 0.00 O ATOM 0 H GLY A 92 -16.762 18.405 -23.842 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -17.142 20.290 -25.124 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.660 21.031 -24.552 1.00 0.00 H new TER 1400 GLY A 92