USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -48:sc= 1.33 USER MOD Set 1.2: A 57 SER OG : rot -24:sc= 0.0232 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.497 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.523 K(o=1,f=0.47) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0214 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 139:sc= 0.478 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.461 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.286 (180deg=-1.1) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.33 (180deg=2.12) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 0.793 (180deg=0.776) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= 1.24 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.954 (180deg=0.936) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.082) USER MOD Single : A 41 GLN : amide:sc= 0.155 K(o=0.16,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.599 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00627 K(o=-0.0063,f=-0.86) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= -0.0222 (180deg=-0.184) USER MOD Single : A 65 SER OG : rot 96:sc= 0.926 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.495 X(o=-0.49,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.206 -7.194 -5.271 1.00 9.67 N ATOM 2 CA MET A 1 11.269 -7.727 -3.906 1.00 10.38 C ATOM 3 C MET A 1 9.929 -7.990 -3.284 1.00 9.62 C ATOM 4 O MET A 1 8.921 -7.413 -3.706 1.00 9.62 O ATOM 5 CB MET A 1 12.076 -6.917 -2.965 1.00 13.77 C ATOM 6 CG MET A 1 11.386 -5.554 -2.609 1.00 16.29 C ATOM 7 SD MET A 1 12.194 -4.520 -1.391 1.00 17.17 S ATOM 8 CE MET A 1 10.779 -3.474 -0.961 1.00 16.11 C ATOM 0 H1 MET A 1 12.152 -7.231 -5.702 1.00 9.67 H new ATOM 0 H2 MET A 1 10.546 -7.765 -5.836 1.00 9.67 H new ATOM 0 H3 MET A 1 10.876 -6.208 -5.244 1.00 9.67 H new ATOM 0 HA MET A 1 11.776 -8.680 -4.061 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.244 -7.486 -2.051 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.055 -6.722 -3.404 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.285 -4.977 -3.528 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.378 -5.768 -2.254 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.751 -3.325 0.118 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.876 -2.509 -1.458 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.857 -3.958 -1.285 1.00 16.11 H new ATOM 20 N GLN A 2 9.866 -8.726 -2.224 1.00 9.27 N ATOM 21 CA GLN A 2 8.575 -9.055 -1.557 1.00 9.07 C ATOM 22 C GLN A 2 8.225 -8.099 -0.412 1.00 8.72 C ATOM 23 O GLN A 2 9.074 -7.818 0.433 1.00 8.22 O ATOM 24 CB GLN A 2 8.620 -10.480 -0.936 1.00 14.46 C ATOM 25 CG GLN A 2 7.292 -10.983 -0.338 1.00 17.01 C ATOM 26 CD GLN A 2 7.615 -12.362 0.320 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.387 -12.443 1.229 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.995 -13.428 -0.158 1.00 19.49 N ATOM 0 H GLN A 2 10.684 -9.132 -1.770 1.00 9.27 H new ATOM 0 HA GLN A 2 7.825 -8.974 -2.343 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.942 -11.183 -1.705 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.379 -10.493 -0.154 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.904 -10.280 0.399 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.530 -11.088 -1.111 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.341 -13.332 -0.935 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.171 -14.346 0.250 1.00 19.49 H new ATOM 37 N ILE A 3 6.957 -7.708 -0.242 1.00 5.87 N ATOM 38 CA ILE A 3 6.457 -6.964 0.840 1.00 5.07 C ATOM 39 C ILE A 3 5.158 -7.513 1.185 1.00 4.01 C ATOM 40 O ILE A 3 4.523 -8.194 0.368 1.00 4.61 O ATOM 41 CB ILE A 3 6.311 -5.461 0.618 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.246 -5.136 -0.546 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.712 -4.837 0.338 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.938 -3.680 -0.597 1.00 10.83 C ATOM 0 H ILE A 3 6.232 -7.936 -0.922 1.00 5.87 H new ATOM 0 HA ILE A 3 7.199 -7.054 1.633 1.00 5.07 H new ATOM 0 HB ILE A 3 5.912 -5.003 1.523 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.643 -5.461 -1.508 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.329 -5.699 -0.372 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.607 -3.764 0.180 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.367 -5.016 1.191 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.143 -5.295 -0.552 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.217 -3.488 -1.391 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.519 -3.363 0.358 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.853 -3.121 -0.795 1.00 10.83 H new ATOM 56 N PHE A 4 4.640 -7.298 2.456 1.00 4.55 N ATOM 57 CA PHE A 4 3.447 -7.886 2.932 1.00 4.68 C ATOM 58 C PHE A 4 2.471 -6.757 3.362 1.00 5.30 C ATOM 59 O PHE A 4 2.908 -5.824 4.015 1.00 5.58 O ATOM 60 CB PHE A 4 3.676 -8.730 4.204 1.00 4.83 C ATOM 61 CG PHE A 4 4.283 -10.016 3.818 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.510 -11.002 3.175 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.623 -10.258 4.083 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.054 -12.294 2.897 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.257 -11.492 3.750 1.00 10.61 C ATOM 66 CZ PHE A 4 5.446 -12.497 3.256 1.00 8.90 C ATOM 0 H PHE A 4 5.092 -6.693 3.141 1.00 4.55 H new ATOM 0 HA PHE A 4 3.063 -8.514 2.128 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.328 -8.198 4.897 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.731 -8.899 4.720 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.493 -10.779 2.888 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.207 -9.484 4.559 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.462 -13.076 2.445 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.320 -11.634 3.878 1.00 10.61 H new ATOM 0 HZ PHE A 4 5.869 -13.483 3.131 1.00 8.90 H new ATOM 76 N VAL A 5 1.180 -6.892 3.014 1.00 4.44 N ATOM 77 CA VAL A 5 0.164 -5.871 3.252 1.00 3.87 C ATOM 78 C VAL A 5 -0.851 -6.477 4.205 1.00 4.93 C ATOM 79 O VAL A 5 -1.450 -7.477 4.003 1.00 6.84 O ATOM 80 CB VAL A 5 -0.528 -5.364 1.963 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.492 -4.241 2.241 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.644 -5.087 0.996 1.00 9.13 C ATOM 0 H VAL A 5 0.815 -7.726 2.554 1.00 4.44 H new ATOM 0 HA VAL A 5 0.644 -4.988 3.673 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.205 -6.079 1.495 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.953 -3.918 1.308 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.265 -4.587 2.927 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.956 -3.404 2.690 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.254 -4.721 0.046 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.304 -4.337 1.430 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.202 -6.008 0.828 1.00 9.13 H new ATOM 92 N LYS A 6 -1.180 -5.740 5.273 1.00 6.04 N ATOM 93 CA LYS A 6 -2.055 -6.174 6.345 1.00 6.12 C ATOM 94 C LYS A 6 -3.270 -5.240 6.472 1.00 6.57 C ATOM 95 O LYS A 6 -3.182 -4.001 6.441 1.00 5.76 O ATOM 96 CB LYS A 6 -1.353 -6.174 7.734 1.00 7.45 C ATOM 97 CG LYS A 6 -2.214 -6.782 8.854 1.00 11.12 C ATOM 98 CD LYS A 6 -1.887 -8.340 8.926 1.00 14.54 C ATOM 99 CE LYS A 6 -0.623 -8.622 9.736 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.286 -10.025 9.389 1.00 20.55 N ATOM 0 H LYS A 6 -0.827 -4.793 5.410 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.351 -7.189 6.081 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.419 -6.731 7.661 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.093 -5.150 8.001 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.996 -6.301 9.808 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.273 -6.623 8.651 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.730 -8.867 9.374 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.766 -8.732 7.916 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.184 -7.939 9.469 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.799 -8.506 10.805 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.743 -10.114 9.264 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.598 -10.656 10.154 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.766 -10.289 8.505 1.00 20.55 H new ATOM 114 N THR A 7 -4.431 -5.860 6.390 1.00 7.41 N ATOM 115 CA THR A 7 -5.771 -5.169 6.501 1.00 7.48 C ATOM 116 C THR A 7 -6.273 -4.973 7.933 1.00 8.75 C ATOM 117 O THR A 7 -5.710 -5.506 8.904 1.00 8.58 O ATOM 118 CB THR A 7 -6.859 -5.750 5.564 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.442 -6.874 6.167 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.197 -6.208 4.275 1.00 9.17 C ATOM 0 H THR A 7 -4.508 -6.866 6.243 1.00 7.41 H new ATOM 0 HA THR A 7 -5.565 -4.164 6.133 1.00 7.48 H new ATOM 0 HB THR A 7 -7.614 -4.989 5.369 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.132 -7.242 5.576 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.952 -6.620 3.605 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.710 -5.359 3.795 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.454 -6.974 4.499 1.00 9.17 H new ATOM 128 N LEU A 8 -7.348 -4.170 8.014 1.00 9.84 N ATOM 129 CA LEU A 8 -8.030 -3.993 9.317 1.00 14.15 C ATOM 130 C LEU A 8 -8.506 -5.261 9.971 1.00 17.37 C ATOM 131 O LEU A 8 -8.467 -5.482 11.191 1.00 17.01 O ATOM 132 CB LEU A 8 -9.226 -3.073 9.022 1.00 16.63 C ATOM 133 CG LEU A 8 -9.835 -2.302 10.126 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.555 -3.060 11.215 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.704 -1.371 10.667 1.00 18.59 C ATOM 0 H LEU A 8 -7.753 -3.652 7.234 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.317 -3.584 10.033 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.911 -2.360 8.260 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.010 -3.687 8.580 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.682 -1.753 9.714 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.946 -2.357 11.950 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.379 -3.626 10.781 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.861 -3.745 11.701 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.090 -0.770 11.490 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.871 -1.978 11.021 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.360 -0.714 9.868 1.00 18.59 H new ATOM 147 N THR A 9 -8.998 -6.251 9.172 1.00 18.33 N ATOM 148 CA THR A 9 -9.622 -7.479 9.549 1.00 19.24 C ATOM 149 C THR A 9 -8.602 -8.576 9.589 1.00 19.48 C ATOM 150 O THR A 9 -9.000 -9.758 9.689 1.00 23.14 O ATOM 151 CB THR A 9 -10.717 -7.886 8.556 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.417 -7.632 7.218 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.960 -7.025 8.886 1.00 19.70 C ATOM 0 H THR A 9 -8.945 -6.165 8.157 1.00 18.33 H new ATOM 0 HA THR A 9 -10.070 -7.326 10.531 1.00 19.24 H new ATOM 0 HB THR A 9 -10.852 -8.962 8.662 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.164 -7.922 6.654 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.770 -7.279 8.203 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.275 -7.219 9.911 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.711 -5.969 8.777 1.00 19.70 H new ATOM 161 N GLY A 10 -7.289 -8.281 9.460 1.00 19.43 N ATOM 162 CA GLY A 10 -6.272 -9.209 9.858 1.00 18.74 C ATOM 163 C GLY A 10 -5.833 -10.141 8.708 1.00 17.62 C ATOM 164 O GLY A 10 -5.013 -11.040 8.929 1.00 19.74 O ATOM 0 H GLY A 10 -6.935 -7.402 9.081 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.406 -8.658 10.224 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.640 -9.812 10.688 1.00 18.74 H new ATOM 168 N LYS A 11 -6.388 -9.984 7.520 1.00 13.56 N ATOM 169 CA LYS A 11 -5.863 -10.596 6.320 1.00 11.91 C ATOM 170 C LYS A 11 -4.473 -10.128 5.919 1.00 10.18 C ATOM 171 O LYS A 11 -4.074 -8.961 6.144 1.00 9.10 O ATOM 172 CB LYS A 11 -6.803 -10.417 5.126 1.00 13.43 C ATOM 173 CG LYS A 11 -6.504 -11.238 3.871 1.00 16.69 C ATOM 174 CD LYS A 11 -7.628 -11.194 2.880 1.00 17.92 C ATOM 175 CE LYS A 11 -7.274 -11.844 1.524 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.390 -11.786 0.519 1.00 21.93 N ATOM 0 H LYS A 11 -7.224 -9.422 7.363 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.784 -11.650 6.586 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.814 -10.657 5.454 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.800 -9.363 4.849 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.595 -10.862 3.402 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.313 -12.273 4.154 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.495 -11.701 3.302 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.915 -10.156 2.713 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.397 -11.346 1.110 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.000 -12.886 1.691 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.090 -12.254 -0.360 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.227 -12.270 0.901 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.626 -10.793 0.319 1.00 21.93 H new ATOM 190 N THR A 12 -3.634 -11.009 5.367 1.00 9.63 N ATOM 191 CA THR A 12 -2.264 -10.682 4.972 1.00 9.85 C ATOM 192 C THR A 12 -2.332 -10.952 3.467 1.00 11.66 C ATOM 193 O THR A 12 -2.761 -11.983 2.972 1.00 12.33 O ATOM 194 CB THR A 12 -1.140 -11.470 5.571 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.319 -11.533 7.023 1.00 10.91 O ATOM 196 CG2 THR A 12 0.218 -10.688 5.375 1.00 9.63 C ATOM 0 H THR A 12 -3.891 -11.978 5.181 1.00 9.63 H new ATOM 0 HA THR A 12 -2.014 -9.677 5.312 1.00 9.85 H new ATOM 0 HB THR A 12 -1.127 -12.453 5.101 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.587 -12.049 7.421 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.035 -11.263 5.811 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.404 -10.543 4.311 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.153 -9.718 5.867 1.00 9.63 H new ATOM 204 N ILE A 13 -1.807 -9.948 2.691 1.00 10.42 N ATOM 205 CA ILE A 13 -1.763 -9.884 1.250 1.00 11.84 C ATOM 206 C ILE A 13 -0.210 -9.857 0.917 1.00 10.55 C ATOM 207 O ILE A 13 0.523 -9.090 1.610 1.00 11.92 O ATOM 208 CB ILE A 13 -2.573 -8.717 0.628 1.00 14.86 C ATOM 209 CG1 ILE A 13 -4.067 -8.691 1.143 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.381 -8.677 -0.898 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.627 -7.273 1.011 1.00 16.46 C ATOM 0 H ILE A 13 -1.384 -9.123 3.117 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.263 -10.738 0.793 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.174 -7.767 0.983 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.674 -9.388 0.566 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -4.110 -9.015 2.183 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.957 -7.851 -1.316 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.325 -8.536 -1.128 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.724 -9.616 -1.333 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.657 -7.254 1.366 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.025 -6.587 1.607 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.598 -6.966 -0.035 1.00 16.46 H new ATOM 223 N THR A 14 0.250 -10.593 -0.168 1.00 9.39 N ATOM 224 CA THR A 14 1.659 -10.734 -0.463 1.00 9.63 C ATOM 225 C THR A 14 1.886 -10.031 -1.832 1.00 11.20 C ATOM 226 O THR A 14 1.263 -10.306 -2.800 1.00 11.63 O ATOM 227 CB THR A 14 1.991 -12.237 -0.686 1.00 10.38 C ATOM 228 OG1 THR A 14 1.556 -13.062 0.426 1.00 16.30 O ATOM 229 CG2 THR A 14 3.529 -12.482 -0.785 1.00 11.66 C ATOM 0 H THR A 14 -0.364 -11.078 -0.823 1.00 9.39 H new ATOM 0 HA THR A 14 2.265 -10.323 0.345 1.00 9.63 H new ATOM 0 HB THR A 14 1.475 -12.500 -1.610 1.00 10.38 H new ATOM 0 HG1 THR A 14 1.782 -13.999 0.246 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.719 -13.544 -0.941 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.935 -11.914 -1.622 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.009 -12.159 0.139 1.00 11.66 H new ATOM 237 N LEU A 15 2.760 -9.044 -1.974 1.00 8.29 N ATOM 238 CA LEU A 15 3.029 -8.333 -3.191 1.00 9.03 C ATOM 239 C LEU A 15 4.478 -8.404 -3.653 1.00 8.59 C ATOM 240 O LEU A 15 5.395 -8.557 -2.865 1.00 7.79 O ATOM 241 CB LEU A 15 2.708 -6.758 -3.073 1.00 11.08 C ATOM 242 CG LEU A 15 1.237 -6.390 -2.791 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.223 -4.830 -2.721 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.189 -6.973 -3.801 1.00 15.27 C ATOM 0 H LEU A 15 3.325 -8.709 -1.194 1.00 8.29 H new ATOM 0 HA LEU A 15 2.376 -8.836 -3.905 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.326 -6.339 -2.278 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.012 -6.274 -4.001 1.00 11.08 H new ATOM 0 HG LEU A 15 0.908 -6.852 -1.860 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.209 -4.484 -2.523 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.884 -4.496 -1.921 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.567 -4.420 -3.671 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.812 -6.654 -3.511 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.409 -6.609 -4.805 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.240 -8.062 -3.791 1.00 15.27 H new ATOM 256 N GLU A 16 4.713 -8.178 -4.953 1.00 11.04 N ATOM 257 CA GLU A 16 6.052 -7.952 -5.451 1.00 11.50 C ATOM 258 C GLU A 16 6.150 -6.485 -5.807 1.00 10.13 C ATOM 259 O GLU A 16 5.327 -5.966 -6.549 1.00 9.83 O ATOM 260 CB GLU A 16 6.346 -8.736 -6.765 1.00 17.22 C ATOM 261 CG GLU A 16 7.811 -8.781 -7.264 1.00 23.33 C ATOM 262 CD GLU A 16 8.776 -9.516 -6.353 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.282 -10.394 -5.642 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.990 -9.136 -6.418 1.00 28.86 O ATOM 0 H GLU A 16 3.986 -8.149 -5.668 1.00 11.04 H new ATOM 0 HA GLU A 16 6.755 -8.276 -4.683 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.008 -9.763 -6.626 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.735 -8.304 -7.557 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.830 -9.254 -8.246 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.166 -7.759 -7.395 1.00 23.33 H new ATOM 271 N VAL A 17 7.183 -5.776 -5.298 1.00 8.99 N ATOM 272 CA VAL A 17 7.444 -4.424 -5.570 1.00 8.85 C ATOM 273 C VAL A 17 8.881 -4.224 -5.986 1.00 8.04 C ATOM 274 O VAL A 17 9.803 -4.947 -5.703 1.00 8.99 O ATOM 275 CB VAL A 17 7.045 -3.465 -4.413 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.529 -3.417 -4.141 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.822 -3.903 -3.168 1.00 10.54 C ATOM 0 H VAL A 17 7.864 -6.189 -4.661 1.00 8.99 H new ATOM 0 HA VAL A 17 6.800 -4.154 -6.407 1.00 8.85 H new ATOM 0 HB VAL A 17 7.302 -2.445 -4.700 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.328 -2.727 -3.321 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.009 -3.077 -5.037 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.176 -4.413 -3.872 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.567 -3.251 -2.332 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.560 -4.931 -2.919 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.892 -3.839 -3.366 1.00 10.54 H new ATOM 287 N GLU A 18 9.069 -3.066 -6.601 1.00 7.29 N ATOM 288 CA GLU A 18 10.381 -2.486 -6.695 1.00 7.08 C ATOM 289 C GLU A 18 10.353 -1.202 -5.768 1.00 6.45 C ATOM 290 O GLU A 18 9.292 -0.626 -5.633 1.00 5.28 O ATOM 291 CB GLU A 18 10.811 -2.064 -8.173 1.00 10.28 C ATOM 292 CG GLU A 18 12.271 -1.634 -8.378 1.00 12.65 C ATOM 293 CD GLU A 18 13.258 -2.796 -8.159 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.895 -3.986 -8.366 1.00 14.33 O ATOM 295 OE2 GLU A 18 14.347 -2.529 -7.624 1.00 18.17 O ATOM 0 H GLU A 18 8.327 -2.519 -7.038 1.00 7.29 H new ATOM 0 HA GLU A 18 11.115 -3.232 -6.389 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.609 -2.904 -8.838 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.168 -1.243 -8.492 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.394 -1.241 -9.387 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.509 -0.823 -7.689 1.00 12.65 H new ATOM 302 N PRO A 19 11.469 -0.848 -5.147 1.00 7.24 N ATOM 303 CA PRO A 19 11.573 0.251 -4.271 1.00 7.07 C ATOM 304 C PRO A 19 11.124 1.531 -4.894 1.00 6.65 C ATOM 305 O PRO A 19 10.843 2.490 -4.197 1.00 6.37 O ATOM 306 CB PRO A 19 13.018 0.164 -3.893 1.00 7.61 C ATOM 307 CG PRO A 19 13.163 -1.285 -3.470 1.00 8.16 C ATOM 308 CD PRO A 19 12.394 -1.899 -4.660 1.00 7.49 C ATOM 0 HA PRO A 19 10.918 0.229 -3.400 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.671 0.409 -4.730 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.267 0.850 -3.083 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.200 -1.615 -3.411 1.00 8.16 H new ATOM 0 HG3 PRO A 19 12.705 -1.500 -2.504 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.081 -2.208 -5.448 1.00 7.49 H new ATOM 0 HD3 PRO A 19 11.844 -2.788 -4.350 1.00 7.49 H new ATOM 316 N SER A 20 11.152 1.590 -6.227 1.00 6.80 N ATOM 317 CA SER A 20 10.987 2.804 -7.022 1.00 6.28 C ATOM 318 C SER A 20 9.539 2.873 -7.467 1.00 8.45 C ATOM 319 O SER A 20 9.180 3.924 -7.997 1.00 7.26 O ATOM 320 CB SER A 20 11.811 2.863 -8.322 1.00 8.57 C ATOM 321 OG SER A 20 13.210 2.806 -8.112 1.00 11.13 O ATOM 0 H SER A 20 11.296 0.760 -6.802 1.00 6.80 H new ATOM 0 HA SER A 20 11.321 3.617 -6.377 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.515 2.036 -8.967 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.569 3.784 -8.853 1.00 8.57 H new ATOM 0 HG SER A 20 13.672 2.846 -8.975 1.00 11.13 H new ATOM 327 N ASP A 21 8.731 1.840 -7.236 1.00 7.50 N ATOM 328 CA ASP A 21 7.290 1.918 -7.392 1.00 7.70 C ATOM 329 C ASP A 21 6.774 3.043 -6.401 1.00 7.08 C ATOM 330 O ASP A 21 7.205 3.205 -5.232 1.00 8.11 O ATOM 331 CB ASP A 21 6.643 0.599 -6.996 1.00 11.00 C ATOM 332 CG ASP A 21 6.869 -0.471 -8.061 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.979 -0.198 -9.321 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.827 -1.641 -7.650 1.00 14.36 O ATOM 0 H ASP A 21 9.064 0.924 -6.934 1.00 7.50 H new ATOM 0 HA ASP A 21 7.037 2.138 -8.429 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.054 0.261 -6.045 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.573 0.746 -6.847 1.00 11.00 H new ATOM 339 N THR A 22 5.791 3.863 -6.937 1.00 5.37 N ATOM 340 CA THR A 22 5.057 4.759 -6.123 1.00 6.01 C ATOM 341 C THR A 22 3.914 4.126 -5.381 1.00 8.01 C ATOM 342 O THR A 22 3.399 3.080 -5.757 1.00 8.11 O ATOM 343 CB THR A 22 4.371 5.854 -6.885 1.00 8.92 C ATOM 344 OG1 THR A 22 3.498 5.462 -7.903 1.00 10.22 O ATOM 345 CG2 THR A 22 5.405 6.682 -7.578 1.00 9.65 C ATOM 0 H THR A 22 5.534 3.879 -7.924 1.00 5.37 H new ATOM 0 HA THR A 22 5.843 5.123 -5.461 1.00 6.01 H new ATOM 0 HB THR A 22 3.785 6.364 -6.120 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.111 6.257 -8.326 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.917 7.482 -8.135 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.080 7.114 -6.839 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.973 6.055 -8.265 1.00 9.65 H new ATOM 353 N ILE A 23 3.377 4.770 -4.329 1.00 8.32 N ATOM 354 CA ILE A 23 2.265 4.216 -3.495 1.00 9.92 C ATOM 355 C ILE A 23 0.967 4.062 -4.310 1.00 10.01 C ATOM 356 O ILE A 23 0.225 3.069 -4.266 1.00 8.71 O ATOM 357 CB ILE A 23 2.018 5.079 -2.315 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.351 5.210 -1.475 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.805 4.778 -1.429 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.782 3.847 -0.899 1.00 12.30 C ATOM 0 H ILE A 23 3.693 5.690 -4.023 1.00 8.32 H new ATOM 0 HA ILE A 23 2.574 3.227 -3.158 1.00 9.92 H new ATOM 0 HB ILE A 23 1.719 6.034 -2.746 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.145 5.608 -2.107 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.204 5.921 -0.662 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.765 5.497 -0.611 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.106 4.852 -2.022 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.892 3.770 -1.022 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.701 3.968 -0.326 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.997 3.463 -0.248 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.953 3.145 -1.715 1.00 12.30 H new ATOM 372 N GLU A 24 0.839 4.951 -5.294 1.00 9.54 N ATOM 373 CA GLU A 24 -0.165 4.824 -6.367 1.00 11.81 C ATOM 374 C GLU A 24 0.006 3.528 -7.213 1.00 11.14 C ATOM 375 O GLU A 24 -0.962 2.788 -7.485 1.00 10.62 O ATOM 376 CB GLU A 24 -0.141 6.120 -7.145 1.00 19.24 C ATOM 377 CG GLU A 24 -1.059 6.271 -8.322 1.00 27.76 C ATOM 378 CD GLU A 24 -0.969 7.667 -8.897 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.794 8.497 -8.462 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.215 7.890 -9.880 1.00 34.80 O ATOM 0 H GLU A 24 1.425 5.782 -5.376 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.166 4.686 -5.957 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.362 6.928 -6.448 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.878 6.274 -7.499 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.799 5.540 -9.088 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.085 6.063 -8.018 1.00 27.76 H new ATOM 387 N ASN A 25 1.229 3.159 -7.537 1.00 9.43 N ATOM 388 CA ASN A 25 1.596 1.946 -8.202 1.00 10.96 C ATOM 389 C ASN A 25 1.332 0.652 -7.344 1.00 9.68 C ATOM 390 O ASN A 25 1.061 -0.417 -7.899 1.00 9.33 O ATOM 391 CB ASN A 25 3.053 2.063 -8.721 1.00 16.78 C ATOM 392 CG ASN A 25 2.919 2.689 -10.148 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.402 2.091 -11.058 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.478 3.879 -10.309 1.00 24.70 N ATOM 0 H ASN A 25 2.038 3.743 -7.325 1.00 9.43 H new ATOM 0 HA ASN A 25 0.939 1.817 -9.062 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.656 2.693 -8.068 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.538 1.088 -8.761 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.481 4.321 -11.228 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.906 4.353 -9.514 1.00 24.70 H new ATOM 401 N VAL A 26 1.509 0.723 -6.010 1.00 6.52 N ATOM 402 CA VAL A 26 1.291 -0.275 -4.982 1.00 5.53 C ATOM 403 C VAL A 26 -0.184 -0.609 -4.847 1.00 4.42 C ATOM 404 O VAL A 26 -0.577 -1.762 -4.703 1.00 3.40 O ATOM 405 CB VAL A 26 1.908 -0.033 -3.619 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.536 -1.105 -2.509 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.394 0.080 -3.871 1.00 8.12 C ATOM 0 H VAL A 26 1.849 1.590 -5.594 1.00 6.52 H new ATOM 0 HA VAL A 26 1.853 -1.128 -5.361 1.00 5.53 H new ATOM 0 HB VAL A 26 1.499 0.877 -3.180 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.026 -0.843 -1.571 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.456 -1.117 -2.363 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.870 -2.092 -2.830 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.911 0.256 -2.928 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.759 -0.845 -4.317 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.586 0.911 -4.550 1.00 8.12 H new ATOM 417 N LYS A 27 -1.040 0.424 -4.986 1.00 2.64 N ATOM 418 CA LYS A 27 -2.496 0.313 -5.009 1.00 4.14 C ATOM 419 C LYS A 27 -3.031 -0.519 -6.173 1.00 5.58 C ATOM 420 O LYS A 27 -4.056 -1.202 -6.087 1.00 4.11 O ATOM 421 CB LYS A 27 -3.253 1.677 -4.991 1.00 3.97 C ATOM 422 CG LYS A 27 -3.206 2.468 -3.635 1.00 7.45 C ATOM 423 CD LYS A 27 -4.104 3.718 -3.624 1.00 9.02 C ATOM 424 CE LYS A 27 -3.490 4.996 -4.232 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.310 6.269 -4.004 1.00 15.47 N ATOM 0 H LYS A 27 -0.717 1.386 -5.088 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.702 -0.204 -4.072 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.838 2.311 -5.774 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.297 1.495 -5.248 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.510 1.804 -2.825 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.177 2.767 -3.433 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -5.022 3.487 -4.165 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.386 3.929 -2.593 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.495 5.141 -3.811 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.364 4.848 -5.305 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.671 7.057 -3.776 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.846 6.496 -4.866 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.971 6.120 -3.215 1.00 15.47 H new ATOM 439 N ALA A 28 -2.327 -0.433 -7.352 1.00 6.61 N ATOM 440 CA ALA A 28 -2.614 -1.144 -8.563 1.00 7.74 C ATOM 441 C ALA A 28 -2.377 -2.660 -8.341 1.00 9.17 C ATOM 442 O ALA A 28 -3.174 -3.470 -8.789 1.00 11.45 O ATOM 443 CB ALA A 28 -1.780 -0.748 -9.727 1.00 7.68 C ATOM 0 H ALA A 28 -1.513 0.174 -7.445 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.651 -0.900 -8.795 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.067 -1.338 -10.598 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.931 0.310 -9.940 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.729 -0.926 -9.499 1.00 7.68 H new ATOM 449 N LYS A 29 -1.298 -3.016 -7.610 1.00 8.96 N ATOM 450 CA LYS A 29 -0.993 -4.352 -7.198 1.00 7.90 C ATOM 451 C LYS A 29 -1.986 -4.935 -6.182 1.00 6.92 C ATOM 452 O LYS A 29 -2.341 -6.098 -6.255 1.00 6.87 O ATOM 453 CB LYS A 29 0.415 -4.334 -6.632 1.00 10.28 C ATOM 454 CG LYS A 29 1.526 -3.852 -7.668 1.00 14.94 C ATOM 455 CD LYS A 29 2.903 -3.753 -7.089 1.00 19.69 C ATOM 456 CE LYS A 29 4.103 -3.433 -8.109 1.00 22.63 C ATOM 457 NZ LYS A 29 4.456 -4.638 -8.880 1.00 24.98 N ATOM 0 H LYS A 29 -0.607 -2.336 -7.293 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.072 -5.009 -8.064 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.437 -3.679 -5.761 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.668 -5.335 -6.284 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.547 -4.544 -8.510 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.239 -2.878 -8.064 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.893 -2.977 -6.323 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.128 -4.694 -6.587 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.808 -2.633 -8.788 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.973 -3.079 -7.557 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.173 -4.396 -9.593 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.837 -5.362 -8.238 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.607 -5.008 -9.354 1.00 24.98 H new ATOM 471 N ILE A 30 -2.514 -4.121 -5.178 1.00 4.57 N ATOM 472 CA ILE A 30 -3.613 -4.576 -4.360 1.00 5.58 C ATOM 473 C ILE A 30 -4.888 -4.824 -5.155 1.00 7.26 C ATOM 474 O ILE A 30 -5.659 -5.758 -4.965 1.00 9.46 O ATOM 475 CB ILE A 30 -3.733 -3.532 -3.232 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.454 -3.596 -2.371 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.000 -3.724 -2.316 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.402 -2.533 -1.309 1.00 2.00 C ATOM 0 H ILE A 30 -2.176 -3.184 -4.958 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.430 -5.563 -3.935 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.852 -2.557 -3.705 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.390 -4.576 -1.898 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.583 -3.497 -3.018 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.013 -2.952 -1.547 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.902 -3.648 -2.923 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.962 -4.706 -1.844 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.478 -2.633 -0.739 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.435 -1.549 -1.777 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.255 -2.645 -0.640 1.00 2.00 H new ATOM 490 N GLN A 31 -5.176 -3.977 -6.206 1.00 7.06 N ATOM 491 CA GLN A 31 -6.301 -4.267 -7.107 1.00 8.67 C ATOM 492 C GLN A 31 -6.209 -5.609 -7.723 1.00 10.90 C ATOM 493 O GLN A 31 -7.248 -6.331 -7.830 1.00 9.63 O ATOM 494 CB GLN A 31 -6.353 -3.241 -8.199 1.00 9.12 C ATOM 495 CG GLN A 31 -7.675 -3.082 -8.997 1.00 10.76 C ATOM 496 CD GLN A 31 -7.716 -1.804 -9.869 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.638 -1.314 -10.201 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.924 -1.273 -10.220 1.00 14.76 N ATOM 0 H GLN A 31 -4.655 -3.128 -6.425 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.206 -4.238 -6.500 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.112 -2.274 -7.758 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.561 -3.473 -8.911 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.812 -3.954 -9.637 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.512 -3.064 -8.299 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.787 -1.723 -9.915 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.963 -0.426 -10.787 1.00 14.76 H new ATOM 507 N ASP A 32 -5.038 -5.952 -8.293 1.00 10.93 N ATOM 508 CA ASP A 32 -4.872 -7.143 -9.087 1.00 14.01 C ATOM 509 C ASP A 32 -5.225 -8.375 -8.205 1.00 14.04 C ATOM 510 O ASP A 32 -5.883 -9.324 -8.609 1.00 13.39 O ATOM 511 CB ASP A 32 -3.422 -7.145 -9.695 1.00 18.01 C ATOM 512 CG ASP A 32 -3.331 -8.289 -10.701 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.008 -8.153 -11.758 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.627 -9.288 -10.403 1.00 25.17 O ATOM 0 H ASP A 32 -4.188 -5.395 -8.204 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.549 -7.182 -9.940 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.212 -6.193 -10.182 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.679 -7.271 -8.907 1.00 18.01 H new ATOM 519 N LYS A 33 -4.766 -8.392 -6.922 1.00 14.22 N ATOM 520 CA LYS A 33 -5.113 -9.421 -5.935 1.00 14.00 C ATOM 521 C LYS A 33 -6.570 -9.410 -5.429 1.00 12.37 C ATOM 522 O LYS A 33 -7.166 -10.466 -5.282 1.00 12.17 O ATOM 523 CB LYS A 33 -4.272 -9.213 -4.645 1.00 18.62 C ATOM 524 CG LYS A 33 -2.781 -9.262 -4.827 1.00 24.00 C ATOM 525 CD LYS A 33 -2.266 -10.757 -5.104 1.00 27.61 C ATOM 526 CE LYS A 33 -0.819 -10.786 -5.584 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.460 -12.173 -5.579 1.00 30.06 N ATOM 0 H LYS A 33 -4.138 -7.678 -6.553 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.929 -10.352 -6.472 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.536 -8.248 -4.213 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.557 -9.976 -3.920 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.494 -8.618 -5.659 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.292 -8.868 -3.936 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.356 -11.346 -4.191 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.905 -11.227 -5.852 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.724 -10.356 -6.581 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.172 -10.207 -4.925 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.524 -12.278 -5.898 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.554 -12.552 -4.615 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.089 -12.697 -6.220 1.00 30.06 H new ATOM 541 N GLU A 34 -7.149 -8.235 -5.067 1.00 10.11 N ATOM 542 CA GLU A 34 -8.332 -8.156 -4.218 1.00 10.07 C ATOM 543 C GLU A 34 -9.550 -7.463 -4.747 1.00 9.32 C ATOM 544 O GLU A 34 -10.613 -7.329 -4.179 1.00 11.61 O ATOM 545 CB GLU A 34 -7.987 -7.368 -2.947 1.00 14.77 C ATOM 546 CG GLU A 34 -6.960 -7.980 -2.018 1.00 18.75 C ATOM 547 CD GLU A 34 -7.414 -9.200 -1.276 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.361 -9.075 -0.463 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.928 -10.313 -1.626 1.00 21.95 O ATOM 0 H GLU A 34 -6.797 -7.325 -5.364 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.587 -9.209 -4.096 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.629 -6.383 -3.246 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.907 -7.216 -2.382 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.075 -8.237 -2.600 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.656 -7.226 -1.292 1.00 18.75 H new ATOM 556 N GLY A 35 -9.346 -6.880 -5.910 1.00 7.22 N ATOM 557 CA GLY A 35 -10.370 -6.260 -6.724 1.00 6.29 C ATOM 558 C GLY A 35 -10.892 -4.905 -6.254 1.00 6.93 C ATOM 559 O GLY A 35 -11.867 -4.383 -6.841 1.00 7.41 O ATOM 0 H GLY A 35 -8.419 -6.823 -6.332 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.977 -6.142 -7.734 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.215 -6.946 -6.789 1.00 6.29 H new ATOM 563 N ILE A 36 -10.308 -4.323 -5.232 1.00 5.86 N ATOM 564 CA ILE A 36 -10.623 -3.034 -4.631 1.00 6.07 C ATOM 565 C ILE A 36 -10.368 -1.909 -5.670 1.00 6.36 C ATOM 566 O ILE A 36 -9.241 -1.870 -6.190 1.00 6.18 O ATOM 567 CB ILE A 36 -9.896 -2.864 -3.301 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.125 -4.030 -2.284 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.295 -1.496 -2.707 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.350 -3.905 -1.085 1.00 9.49 C ATOM 0 H ILE A 36 -9.530 -4.775 -4.752 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.680 -2.974 -4.372 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.825 -2.899 -3.499 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.182 -4.069 -2.021 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.881 -4.976 -2.767 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.787 -1.351 -1.754 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.007 -0.702 -3.396 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.373 -1.468 -2.551 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.560 -4.748 -0.427 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.289 -3.896 -1.337 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.611 -2.976 -0.579 1.00 9.49 H new ATOM 582 N PRO A 37 -11.187 -0.964 -6.113 1.00 8.65 N ATOM 583 CA PRO A 37 -10.709 0.245 -6.780 1.00 9.18 C ATOM 584 C PRO A 37 -9.627 1.000 -5.920 1.00 9.85 C ATOM 585 O PRO A 37 -9.975 1.187 -4.753 1.00 8.51 O ATOM 586 CB PRO A 37 -11.991 1.156 -6.918 1.00 11.42 C ATOM 587 CG PRO A 37 -13.092 0.147 -6.905 1.00 9.27 C ATOM 588 CD PRO A 37 -12.641 -0.993 -6.020 1.00 8.33 C ATOM 0 HA PRO A 37 -10.238 0.006 -7.734 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.078 1.865 -6.095 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.981 1.737 -7.840 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.014 0.588 -6.525 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.301 -0.208 -7.914 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.977 -0.856 -4.992 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -13.043 -1.946 -6.363 1.00 8.33 H new ATOM 596 N PRO A 38 -8.496 1.456 -6.357 1.00 8.71 N ATOM 597 CA PRO A 38 -7.604 2.376 -5.585 1.00 9.08 C ATOM 598 C PRO A 38 -8.263 3.618 -4.995 1.00 9.28 C ATOM 599 O PRO A 38 -7.738 4.172 -4.053 1.00 6.50 O ATOM 600 CB PRO A 38 -6.509 2.601 -6.631 1.00 10.31 C ATOM 601 CG PRO A 38 -6.380 1.247 -7.331 1.00 10.81 C ATOM 602 CD PRO A 38 -7.835 0.826 -7.464 1.00 12.00 C ATOM 0 HA PRO A 38 -7.240 1.973 -4.640 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.784 3.388 -7.333 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.570 2.901 -6.167 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.889 1.333 -8.300 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.801 0.536 -6.742 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.257 1.151 -8.415 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.939 -0.258 -7.423 1.00 12.00 H new ATOM 610 N ASP A 39 -9.455 3.978 -5.432 1.00 11.20 N ATOM 611 CA ASP A 39 -10.285 5.123 -4.932 1.00 14.96 C ATOM 612 C ASP A 39 -10.839 4.725 -3.535 1.00 13.99 C ATOM 613 O ASP A 39 -11.064 5.626 -2.733 1.00 13.75 O ATOM 614 CB ASP A 39 -11.442 5.415 -5.891 1.00 24.16 C ATOM 615 CG ASP A 39 -10.846 5.854 -7.190 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.993 6.807 -7.255 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.194 5.202 -8.198 1.00 35.55 O ATOM 0 H ASP A 39 -9.919 3.470 -6.185 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.677 6.025 -4.865 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -12.057 4.526 -6.032 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.091 6.191 -5.485 1.00 24.16 H new ATOM 622 N GLN A 40 -10.856 3.396 -3.161 1.00 11.60 N ATOM 623 CA GLN A 40 -11.265 2.956 -1.857 1.00 10.76 C ATOM 624 C GLN A 40 -10.061 2.493 -1.045 1.00 8.01 C ATOM 625 O GLN A 40 -10.290 1.865 -0.007 1.00 8.96 O ATOM 626 CB GLN A 40 -12.255 1.751 -1.991 1.00 11.14 C ATOM 627 CG GLN A 40 -13.600 2.295 -2.541 1.00 14.85 C ATOM 628 CD GLN A 40 -14.535 1.221 -3.136 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.807 0.228 -2.416 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.985 1.350 -4.377 1.00 18.16 N ATOM 0 H GLN A 40 -10.580 2.636 -3.783 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.748 3.794 -1.354 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.847 0.995 -2.662 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.405 1.271 -1.024 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -14.125 2.809 -1.736 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.389 3.039 -3.309 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.739 2.174 -4.926 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.577 0.625 -4.783 1.00 18.16 H new ATOM 639 N GLN A 41 -8.834 2.696 -1.474 1.00 6.52 N ATOM 640 CA GLN A 41 -7.643 2.293 -0.822 1.00 3.87 C ATOM 641 C GLN A 41 -6.986 3.538 -0.138 1.00 4.79 C ATOM 642 O GLN A 41 -6.901 4.627 -0.713 1.00 6.34 O ATOM 643 CB GLN A 41 -6.643 1.665 -1.732 1.00 4.20 C ATOM 644 CG GLN A 41 -7.215 0.318 -2.322 1.00 3.20 C ATOM 645 CD GLN A 41 -6.131 -0.358 -3.175 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.967 -0.490 -2.835 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.536 -0.884 -4.348 1.00 7.13 N ATOM 0 H GLN A 41 -8.648 3.183 -2.351 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.930 1.535 -0.093 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.397 2.351 -2.543 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.718 1.469 -1.189 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.525 -0.345 -1.514 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.099 0.518 -2.927 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.506 -0.781 -4.645 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.872 -1.385 -4.939 1.00 7.13 H new ATOM 656 N ARG A 42 -6.470 3.355 1.092 1.00 5.73 N ATOM 657 CA ARG A 42 -5.543 4.228 1.813 1.00 6.97 C ATOM 658 C ARG A 42 -4.437 3.393 2.429 1.00 7.15 C ATOM 659 O ARG A 42 -4.700 2.289 3.002 1.00 7.33 O ATOM 660 CB ARG A 42 -6.243 5.097 2.867 1.00 13.23 C ATOM 661 CG ARG A 42 -5.192 6.100 3.486 1.00 21.27 C ATOM 662 CD ARG A 42 -5.800 7.066 4.464 1.00 26.14 C ATOM 663 NE ARG A 42 -6.606 8.164 3.763 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.927 8.404 4.014 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.688 7.615 4.762 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.402 9.556 3.529 1.00 36.39 N ATOM 0 H ARG A 42 -6.712 2.531 1.642 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.111 4.924 1.094 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.067 5.648 2.414 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.670 4.469 3.649 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.408 5.532 3.986 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.716 6.660 2.681 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.448 6.524 5.153 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.010 7.522 5.061 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.131 8.746 3.073 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.291 6.776 5.186 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.670 7.847 4.913 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.786 10.184 3.013 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.380 9.806 3.675 1.00 36.39 H new ATOM 680 N LEU A 43 -3.216 3.838 2.234 1.00 4.65 N ATOM 681 CA LEU A 43 -2.022 3.062 2.470 1.00 3.51 C ATOM 682 C LEU A 43 -1.175 3.615 3.566 1.00 5.56 C ATOM 683 O LEU A 43 -1.019 4.789 3.707 1.00 4.19 O ATOM 684 CB LEU A 43 -1.274 2.901 1.098 1.00 3.74 C ATOM 685 CG LEU A 43 -1.972 1.928 0.147 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.007 1.636 -1.018 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.478 0.608 0.721 1.00 6.41 C ATOM 0 H LEU A 43 -3.022 4.781 1.896 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.288 2.072 2.841 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.195 3.876 0.617 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.258 2.553 1.283 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.889 2.439 -0.148 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.478 0.943 -1.715 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.769 2.566 -1.535 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.090 1.193 -0.629 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.949 0.024 -0.070 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.641 0.047 1.137 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.206 0.808 1.507 1.00 6.41 H new ATOM 699 N ILE A 44 -0.735 2.732 4.427 1.00 4.58 N ATOM 700 CA ILE A 44 -0.191 2.925 5.747 1.00 5.55 C ATOM 701 C ILE A 44 1.113 2.211 5.969 1.00 5.46 C ATOM 702 O ILE A 44 1.348 1.108 5.465 1.00 6.04 O ATOM 703 CB ILE A 44 -1.208 2.570 6.792 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.568 3.394 6.711 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.694 2.565 8.274 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.473 4.914 6.999 1.00 13.90 C ATOM 0 H ILE A 44 -0.752 1.740 4.189 1.00 4.58 H new ATOM 0 HA ILE A 44 0.044 3.985 5.838 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.416 1.535 6.520 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.989 3.261 5.714 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.275 2.957 7.416 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.512 2.295 8.942 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.113 1.839 8.377 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.325 3.557 8.534 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.462 5.363 6.913 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.090 5.070 8.007 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.800 5.379 6.279 1.00 13.90 H new ATOM 718 N PHE A 45 2.052 2.794 6.724 1.00 6.75 N ATOM 719 CA PHE A 45 3.154 2.045 7.294 1.00 4.70 C ATOM 720 C PHE A 45 3.523 2.604 8.657 1.00 6.34 C ATOM 721 O PHE A 45 3.871 3.733 8.936 1.00 5.45 O ATOM 722 CB PHE A 45 4.434 2.175 6.377 1.00 5.51 C ATOM 723 CG PHE A 45 5.617 1.362 6.828 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.800 0.067 6.512 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.674 2.184 7.371 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.023 -0.542 6.742 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.874 1.563 7.700 1.00 6.64 C ATOM 728 CZ PHE A 45 8.031 0.207 7.377 1.00 6.84 C ATOM 0 H PHE A 45 2.061 3.789 6.949 1.00 6.75 H new ATOM 0 HA PHE A 45 2.839 1.005 7.376 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.170 1.875 5.363 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.727 3.224 6.333 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.990 -0.500 6.077 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.537 3.245 7.517 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.198 -1.565 6.442 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.665 2.111 8.191 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.962 -0.281 7.625 1.00 6.84 H new ATOM 738 N ALA A 46 3.366 1.664 9.603 1.00 6.53 N ATOM 739 CA ALA A 46 3.471 1.879 11.058 1.00 7.15 C ATOM 740 C ALA A 46 2.736 3.080 11.723 1.00 9.00 C ATOM 741 O ALA A 46 3.307 3.991 12.350 1.00 11.15 O ATOM 742 CB ALA A 46 4.992 1.967 11.385 1.00 8.99 C ATOM 0 H ALA A 46 3.154 0.695 9.367 1.00 6.53 H new ATOM 0 HA ALA A 46 2.935 1.035 11.491 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.125 2.127 12.455 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.481 1.038 11.093 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.435 2.798 10.836 1.00 8.99 H new ATOM 748 N GLY A 47 1.438 3.232 11.393 1.00 9.35 N ATOM 749 CA GLY A 47 0.642 4.438 11.788 1.00 11.68 C ATOM 750 C GLY A 47 0.868 5.727 11.017 1.00 11.14 C ATOM 751 O GLY A 47 0.317 6.730 11.468 1.00 13.93 O ATOM 0 H GLY A 47 0.910 2.544 10.856 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.414 4.182 11.707 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.841 4.639 12.840 1.00 11.68 H new ATOM 755 N LYS A 48 1.519 5.630 9.887 1.00 10.47 N ATOM 756 CA LYS A 48 1.762 6.769 8.972 1.00 8.82 C ATOM 757 C LYS A 48 1.165 6.499 7.618 1.00 7.68 C ATOM 758 O LYS A 48 1.346 5.447 7.000 1.00 6.47 O ATOM 759 CB LYS A 48 3.306 7.010 8.824 1.00 9.74 C ATOM 760 CG LYS A 48 3.656 8.323 8.085 1.00 14.14 C ATOM 761 CD LYS A 48 5.027 8.975 8.315 1.00 16.32 C ATOM 762 CE LYS A 48 6.144 8.196 7.665 1.00 20.04 C ATOM 763 NZ LYS A 48 7.504 8.482 8.165 1.00 23.92 N ATOM 0 H LYS A 48 1.912 4.751 9.550 1.00 10.47 H new ATOM 0 HA LYS A 48 1.290 7.657 9.393 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.760 7.028 9.815 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.747 6.171 8.286 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.560 8.132 7.016 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.896 9.059 8.347 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.016 9.990 7.919 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.216 9.053 9.386 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.945 7.133 7.798 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.123 8.393 6.593 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.193 7.895 7.653 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.725 9.487 8.014 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.553 8.266 9.181 1.00 23.92 H new ATOM 777 N GLN A 49 0.306 7.371 7.105 1.00 8.89 N ATOM 778 CA GLN A 49 -0.268 7.360 5.752 1.00 7.18 C ATOM 779 C GLN A 49 0.698 7.813 4.648 1.00 8.23 C ATOM 780 O GLN A 49 1.423 8.783 4.780 1.00 9.70 O ATOM 781 CB GLN A 49 -1.552 8.218 5.663 1.00 11.67 C ATOM 782 CG GLN A 49 -1.448 9.743 6.127 1.00 15.82 C ATOM 783 CD GLN A 49 -2.791 10.455 6.411 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.114 11.495 5.818 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.585 9.903 7.357 1.00 20.67 N ATOM 0 H GLN A 49 -0.035 8.160 7.654 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.500 6.310 5.576 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.897 8.203 4.629 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.323 7.735 6.263 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.837 9.787 7.029 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -0.918 10.302 5.356 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.295 9.047 7.830 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.473 10.343 7.598 1.00 20.67 H new ATOM 794 N LEU A 50 0.758 7.053 3.548 1.00 6.51 N ATOM 795 CA LEU A 50 1.777 7.221 2.537 1.00 7.41 C ATOM 796 C LEU A 50 1.097 7.834 1.375 1.00 8.27 C ATOM 797 O LEU A 50 0.057 7.423 0.942 1.00 8.34 O ATOM 798 CB LEU A 50 2.442 5.851 2.154 1.00 7.13 C ATOM 799 CG LEU A 50 2.809 4.903 3.302 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.196 3.512 2.713 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.902 5.477 4.308 1.00 9.11 C ATOM 0 H LEU A 50 0.094 6.306 3.345 1.00 6.51 H new ATOM 0 HA LEU A 50 2.590 7.851 2.899 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.764 5.323 1.484 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.349 6.063 1.588 1.00 7.13 H new ATOM 0 HG LEU A 50 1.925 4.793 3.931 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.458 2.833 3.525 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.351 3.104 2.158 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.049 3.625 2.044 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.101 4.742 5.088 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.823 5.687 3.764 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.531 6.396 4.762 1.00 9.11 H new ATOM 813 N GLU A 51 1.696 8.895 0.828 1.00 9.43 N ATOM 814 CA GLU A 51 1.120 9.704 -0.196 1.00 11.90 C ATOM 815 C GLU A 51 1.416 9.143 -1.547 1.00 11.49 C ATOM 816 O GLU A 51 2.474 8.547 -1.765 1.00 9.88 O ATOM 817 CB GLU A 51 1.736 11.122 -0.064 1.00 16.56 C ATOM 818 CG GLU A 51 1.454 11.712 1.340 1.00 26.06 C ATOM 819 CD GLU A 51 -0.066 12.018 1.585 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.000 11.633 0.795 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.358 12.725 2.566 1.00 32.13 O ATOM 0 H GLU A 51 2.625 9.207 1.110 1.00 9.43 H new ATOM 0 HA GLU A 51 0.036 9.736 -0.085 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.811 11.074 -0.235 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.321 11.777 -0.830 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.805 11.012 2.099 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.028 12.630 1.464 1.00 26.06 H new ATOM 828 N ASP A 52 0.380 9.291 -2.457 1.00 12.71 N ATOM 829 CA ASP A 52 0.227 8.642 -3.710 1.00 16.56 C ATOM 830 C ASP A 52 1.445 8.785 -4.617 1.00 15.83 C ATOM 831 O ASP A 52 1.973 7.755 -5.072 1.00 17.21 O ATOM 832 CB ASP A 52 -0.898 9.355 -4.458 1.00 21.05 C ATOM 833 CG ASP A 52 -2.210 9.279 -3.684 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.262 9.783 -2.513 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.163 8.661 -4.180 1.00 28.37 O ATOM 0 H ASP A 52 -0.396 9.925 -2.267 1.00 12.71 H new ATOM 0 HA ASP A 52 0.051 7.587 -3.501 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.627 10.399 -4.618 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.027 8.904 -5.442 1.00 21.05 H new ATOM 840 N GLY A 53 2.012 10.056 -4.796 1.00 15.00 N ATOM 841 CA GLY A 53 3.111 10.286 -5.742 1.00 11.77 C ATOM 842 C GLY A 53 4.483 10.162 -5.112 1.00 11.10 C ATOM 843 O GLY A 53 5.384 10.603 -5.784 1.00 11.25 O ATOM 0 H GLY A 53 1.708 10.890 -4.294 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.030 9.572 -6.562 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.006 11.281 -6.174 1.00 11.77 H new ATOM 847 N ARG A 54 4.629 9.550 -3.952 1.00 8.53 N ATOM 848 CA ARG A 54 5.878 9.288 -3.225 1.00 9.05 C ATOM 849 C ARG A 54 6.174 7.785 -3.398 1.00 8.96 C ATOM 850 O ARG A 54 5.326 6.937 -3.610 1.00 11.60 O ATOM 851 CB ARG A 54 5.829 9.582 -1.726 1.00 7.97 C ATOM 852 CG ARG A 54 5.309 11.038 -1.370 1.00 9.62 C ATOM 853 CD ARG A 54 6.350 12.094 -1.662 1.00 12.20 C ATOM 854 NE ARG A 54 5.707 13.424 -1.229 1.00 18.23 N ATOM 855 CZ ARG A 54 6.500 14.408 -0.863 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.764 14.556 -1.246 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.980 15.363 -0.019 1.00 23.38 N ATOM 0 H ARG A 54 3.820 9.191 -3.446 1.00 8.53 H new ATOM 0 HA ARG A 54 6.638 9.953 -3.636 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.183 8.849 -1.243 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.827 9.452 -1.308 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.405 11.251 -1.941 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.036 11.079 -0.315 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.270 11.903 -1.110 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.610 12.108 -2.720 1.00 12.20 H new ATOM 0 HE ARG A 54 4.694 13.539 -1.226 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.190 13.874 -1.873 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.308 15.352 -0.913 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.013 15.291 0.299 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.561 16.143 0.289 1.00 23.38 H new ATOM 871 N THR A 55 7.470 7.376 -3.230 1.00 9.05 N ATOM 872 CA THR A 55 7.941 6.030 -3.561 1.00 9.03 C ATOM 873 C THR A 55 8.261 5.220 -2.291 1.00 8.15 C ATOM 874 O THR A 55 8.350 5.827 -1.225 1.00 5.91 O ATOM 875 CB THR A 55 9.120 5.977 -4.557 1.00 11.15 C ATOM 876 OG1 THR A 55 10.371 6.469 -4.083 1.00 11.95 O ATOM 877 CG2 THR A 55 8.822 6.629 -5.956 1.00 11.71 C ATOM 0 H THR A 55 8.201 7.984 -2.861 1.00 9.05 H new ATOM 0 HA THR A 55 7.104 5.567 -4.084 1.00 9.03 H new ATOM 0 HB THR A 55 9.222 4.898 -4.676 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.239 7.342 -3.657 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.704 6.547 -6.591 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.986 6.112 -6.427 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.569 7.681 -5.821 1.00 11.71 H new ATOM 885 N LEU A 56 8.406 3.876 -2.401 1.00 6.91 N ATOM 886 CA LEU A 56 8.765 3.020 -1.294 1.00 8.29 C ATOM 887 C LEU A 56 10.077 3.270 -0.693 1.00 8.05 C ATOM 888 O LEU A 56 10.317 3.171 0.499 1.00 10.17 O ATOM 889 CB LEU A 56 8.611 1.533 -1.838 1.00 6.60 C ATOM 890 CG LEU A 56 7.168 1.225 -2.238 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.132 -0.134 -2.934 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.185 1.023 -1.061 1.00 8.64 C ATOM 0 H LEU A 56 8.271 3.373 -3.278 1.00 6.91 H new ATOM 0 HA LEU A 56 8.102 3.226 -0.454 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.266 1.390 -2.698 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.934 0.829 -1.071 1.00 6.60 H new ATOM 0 HG LEU A 56 6.868 2.087 -2.834 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.108 -0.367 -3.225 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.764 -0.105 -3.822 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.499 -0.902 -2.253 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.190 0.810 -1.451 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.520 0.188 -0.446 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.151 1.929 -0.456 1.00 8.64 H new ATOM 904 N SER A 57 11.074 3.639 -1.507 1.00 8.92 N ATOM 905 CA SER A 57 12.391 4.111 -1.083 1.00 9.00 C ATOM 906 C SER A 57 12.341 5.472 -0.309 1.00 9.44 C ATOM 907 O SER A 57 13.098 5.693 0.605 1.00 10.91 O ATOM 908 CB SER A 57 13.445 4.128 -2.230 1.00 10.32 C ATOM 909 OG SER A 57 13.064 5.075 -3.203 1.00 13.59 O ATOM 0 H SER A 57 10.977 3.614 -2.522 1.00 8.92 H new ATOM 0 HA SER A 57 12.735 3.363 -0.368 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.429 4.376 -1.831 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.524 3.139 -2.681 1.00 10.32 H new ATOM 0 HG SER A 57 12.095 5.215 -3.162 1.00 13.59 H new ATOM 915 N ASP A 58 11.360 6.362 -0.618 1.00 9.11 N ATOM 916 CA ASP A 58 11.151 7.593 0.111 1.00 7.91 C ATOM 917 C ASP A 58 10.824 7.337 1.638 1.00 9.12 C ATOM 918 O ASP A 58 11.270 8.020 2.476 1.00 8.61 O ATOM 919 CB ASP A 58 10.052 8.530 -0.525 1.00 8.41 C ATOM 920 CG ASP A 58 10.597 9.017 -1.820 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.744 9.547 -1.817 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.050 8.812 -2.930 1.00 11.70 O ATOM 0 H ASP A 58 10.703 6.224 -1.386 1.00 9.11 H new ATOM 0 HA ASP A 58 12.103 8.119 0.039 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.121 7.984 -0.679 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.826 9.365 0.138 1.00 8.41 H new ATOM 927 N TYR A 59 10.091 6.242 1.948 1.00 7.97 N ATOM 928 CA TYR A 59 9.628 5.845 3.233 1.00 8.45 C ATOM 929 C TYR A 59 10.544 4.751 3.759 1.00 10.98 C ATOM 930 O TYR A 59 10.285 4.296 4.893 1.00 12.95 O ATOM 931 CB TYR A 59 8.128 5.427 3.215 1.00 7.94 C ATOM 932 CG TYR A 59 7.250 6.571 2.756 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.025 7.643 3.538 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.617 6.511 1.510 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.188 8.717 3.157 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.722 7.519 1.039 1.00 6.52 C ATOM 937 CZ TYR A 59 5.449 8.577 1.972 1.00 6.76 C ATOM 938 OH TYR A 59 4.446 9.535 1.735 1.00 7.63 O ATOM 0 H TYR A 59 9.803 5.583 1.225 1.00 7.97 H new ATOM 0 HA TYR A 59 9.670 6.694 3.915 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.993 4.572 2.552 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.824 5.108 4.212 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.507 7.685 4.503 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.815 5.661 0.873 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.120 9.613 3.756 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.282 7.488 0.053 1.00 6.52 H new ATOM 0 HH TYR A 59 4.703 10.386 2.147 1.00 7.63 H new ATOM 948 N ASN A 60 11.645 4.385 3.098 1.00 12.38 N ATOM 949 CA ASN A 60 12.658 3.491 3.678 1.00 13.94 C ATOM 950 C ASN A 60 12.106 2.104 3.988 1.00 14.16 C ATOM 951 O ASN A 60 12.475 1.450 4.983 1.00 14.26 O ATOM 952 CB ASN A 60 13.443 4.157 4.845 1.00 19.23 C ATOM 953 CG ASN A 60 13.982 5.534 4.408 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.647 6.577 5.009 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.941 5.529 3.481 1.00 24.09 N ATOM 0 H ASN A 60 11.861 4.696 2.151 1.00 12.38 H new ATOM 0 HA ASN A 60 13.410 3.317 2.909 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.792 4.272 5.712 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.269 3.515 5.150 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.426 6.395 3.244 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.190 4.660 3.009 1.00 24.09 H new ATOM 962 N ILE A 61 11.271 1.652 3.067 1.00 11.08 N ATOM 963 CA ILE A 61 10.699 0.290 3.041 1.00 11.78 C ATOM 964 C ILE A 61 11.698 -0.701 2.482 1.00 13.74 C ATOM 965 O ILE A 61 12.484 -0.336 1.573 1.00 14.60 O ATOM 966 CB ILE A 61 9.243 0.315 2.427 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.343 1.205 3.257 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.625 -1.129 2.286 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.200 1.844 2.425 1.00 11.42 C ATOM 0 H ILE A 61 10.955 2.230 2.288 1.00 11.08 H new ATOM 0 HA ILE A 61 10.528 -0.095 4.046 1.00 11.78 H new ATOM 0 HB ILE A 61 9.321 0.723 1.419 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.912 0.621 4.071 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.940 1.995 3.713 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.624 -1.057 1.860 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.255 -1.732 1.632 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.568 -1.598 3.268 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.587 2.472 3.071 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.627 2.452 1.627 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.583 1.058 1.991 1.00 11.42 H new ATOM 981 N GLN A 62 11.591 -1.960 3.012 1.00 13.97 N ATOM 982 CA GLN A 62 12.559 -2.969 2.774 1.00 15.52 C ATOM 983 C GLN A 62 11.850 -4.350 2.454 1.00 13.94 C ATOM 984 O GLN A 62 10.671 -4.513 2.697 1.00 12.15 O ATOM 985 CB GLN A 62 13.452 -3.234 4.038 1.00 19.53 C ATOM 986 CG GLN A 62 14.224 -2.023 4.537 1.00 26.38 C ATOM 987 CD GLN A 62 14.956 -2.392 5.850 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.354 -3.006 6.716 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.169 -1.920 6.044 1.00 32.71 N ATOM 0 H GLN A 62 10.818 -2.257 3.607 1.00 13.97 H new ATOM 0 HA GLN A 62 13.165 -2.614 1.941 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.817 -3.600 4.844 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.161 -4.029 3.805 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.943 -1.700 3.784 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.544 -1.188 4.708 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.644 -1.411 5.298 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.635 -2.063 6.940 1.00 32.71 H new ATOM 998 N LYS A 63 12.623 -5.382 2.052 1.00 11.73 N ATOM 999 CA LYS A 63 12.095 -6.710 1.770 1.00 11.97 C ATOM 1000 C LYS A 63 11.484 -7.374 3.036 1.00 10.41 C ATOM 1001 O LYS A 63 11.934 -7.222 4.182 1.00 9.59 O ATOM 1002 CB LYS A 63 13.073 -7.619 1.108 1.00 13.73 C ATOM 1003 CG LYS A 63 14.173 -8.224 2.017 1.00 16.98 C ATOM 1004 CD LYS A 63 15.492 -8.492 1.187 1.00 20.19 C ATOM 1005 CE LYS A 63 16.540 -9.405 1.883 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.960 -10.727 2.259 1.00 25.97 N ATOM 0 H LYS A 63 13.631 -5.305 1.917 1.00 11.73 H new ATOM 0 HA LYS A 63 11.294 -6.549 1.048 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.521 -8.438 0.648 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.559 -7.070 0.302 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.387 -7.543 2.841 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.818 -9.156 2.457 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.217 -8.944 0.234 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.961 -7.534 0.962 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.389 -9.557 1.217 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.920 -8.908 2.775 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.726 -11.382 2.515 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.321 -10.608 3.071 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.428 -11.114 1.454 1.00 25.97 H new ATOM 1020 N GLU A 64 10.290 -8.063 2.867 1.00 10.04 N ATOM 1021 CA GLU A 64 9.532 -8.777 3.848 1.00 10.94 C ATOM 1022 C GLU A 64 8.846 -7.978 4.907 1.00 9.74 C ATOM 1023 O GLU A 64 8.287 -8.480 5.886 1.00 9.42 O ATOM 1024 CB GLU A 64 10.412 -9.931 4.458 1.00 18.31 C ATOM 1025 CG GLU A 64 10.958 -11.051 3.504 1.00 24.16 C ATOM 1026 CD GLU A 64 11.781 -12.021 4.283 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.019 -11.768 4.494 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.222 -13.060 4.704 1.00 31.72 O ATOM 0 H GLU A 64 9.842 -8.105 1.952 1.00 10.04 H new ATOM 0 HA GLU A 64 8.685 -9.182 3.295 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.269 -9.469 4.948 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.824 -10.418 5.236 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.128 -11.568 3.023 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.558 -10.605 2.711 1.00 24.16 H new ATOM 1035 N SER A 65 8.851 -6.667 4.762 1.00 6.85 N ATOM 1036 CA SER A 65 8.168 -5.630 5.569 1.00 6.90 C ATOM 1037 C SER A 65 6.646 -5.895 5.671 1.00 4.72 C ATOM 1038 O SER A 65 6.053 -6.540 4.789 1.00 3.91 O ATOM 1039 CB SER A 65 8.380 -4.227 5.133 1.00 7.28 C ATOM 1040 OG SER A 65 9.802 -3.929 5.314 1.00 10.56 O ATOM 0 H SER A 65 9.383 -6.241 4.003 1.00 6.85 H new ATOM 0 HA SER A 65 8.646 -5.723 6.544 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.090 -4.100 4.090 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.766 -3.544 5.720 1.00 7.28 H new ATOM 0 HG SER A 65 10.276 -4.069 4.468 1.00 10.56 H new ATOM 1046 N THR A 66 6.005 -5.357 6.742 1.00 4.48 N ATOM 1047 CA THR A 66 4.590 -5.281 6.882 1.00 3.80 C ATOM 1048 C THR A 66 4.170 -3.886 6.675 1.00 4.60 C ATOM 1049 O THR A 66 4.637 -2.973 7.382 1.00 5.33 O ATOM 1050 CB THR A 66 4.055 -5.672 8.284 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.479 -6.977 8.684 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.546 -5.732 8.237 1.00 3.40 C ATOM 0 H THR A 66 6.506 -4.962 7.538 1.00 4.48 H new ATOM 0 HA THR A 66 4.191 -5.986 6.152 1.00 3.80 H new ATOM 0 HB THR A 66 4.435 -4.926 8.982 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.120 -7.179 9.573 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.162 -6.006 9.220 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.152 -4.756 7.953 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.234 -6.477 7.505 1.00 3.40 H new ATOM 1060 N LEU A 67 3.309 -3.663 5.666 1.00 4.17 N ATOM 1061 CA LEU A 67 2.720 -2.462 5.316 1.00 3.85 C ATOM 1062 C LEU A 67 1.213 -2.594 5.755 1.00 3.80 C ATOM 1063 O LEU A 67 0.678 -3.678 5.914 1.00 5.54 O ATOM 1064 CB LEU A 67 2.790 -2.096 3.800 1.00 7.18 C ATOM 1065 CG LEU A 67 4.158 -1.464 3.385 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.320 -2.431 3.472 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.086 -0.888 1.934 1.00 11.66 C ATOM 0 H LEU A 67 3.014 -4.421 5.050 1.00 4.17 H new ATOM 0 HA LEU A 67 3.265 -1.657 5.809 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.617 -2.994 3.207 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.987 -1.398 3.563 1.00 7.18 H new ATOM 0 HG LEU A 67 4.340 -0.664 4.103 1.00 9.67 H new ATOM 0 HD11 LEU A 67 6.237 -1.926 3.170 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.422 -2.786 4.498 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.138 -3.279 2.811 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.049 -0.453 1.667 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.843 -1.689 1.236 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.315 -0.119 1.886 1.00 11.66 H new ATOM 1079 N HIS A 68 0.354 -1.555 5.916 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.076 -1.706 6.295 1.00 4.17 C ATOM 1081 C HIS A 68 -1.892 -1.015 5.293 1.00 5.32 C ATOM 1082 O HIS A 68 -1.429 -0.068 4.679 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.303 -1.131 7.710 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.827 -2.081 8.795 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.463 -2.290 9.247 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.571 -2.992 9.450 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.448 -3.204 10.221 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.768 -3.671 10.371 1.00 16.30 N ATOM 0 H HIS A 68 0.635 -0.583 5.786 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.363 -2.757 6.320 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.777 -0.181 7.804 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.364 -0.923 7.851 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.624 -3.170 9.289 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.308 -3.512 10.798 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.069 -4.389 11.030 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.101 -1.511 5.052 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.054 -1.071 4.095 1.00 3.97 C ATOM 1098 C LEU A 69 -5.369 -0.880 4.843 1.00 5.07 C ATOM 1099 O LEU A 69 -5.768 -1.734 5.642 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.232 -2.277 3.111 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.551 -2.390 2.289 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.834 -1.208 1.372 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.498 -3.628 1.383 1.00 9.96 C ATOM 0 H LEU A 69 -3.451 -2.307 5.585 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.761 -0.156 3.581 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.404 -2.250 2.403 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.125 -3.194 3.691 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.338 -2.438 3.042 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.771 -1.375 0.841 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.911 -0.297 1.966 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.023 -1.104 0.651 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.423 -3.701 0.811 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.654 -3.542 0.698 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.379 -4.522 1.995 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.939 0.297 4.658 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.165 0.752 5.347 1.00 6.26 C ATOM 1117 C VAL A 70 -8.145 1.311 4.358 1.00 9.22 C ATOM 1118 O VAL A 70 -7.785 1.871 3.311 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.899 1.602 6.558 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.204 0.757 7.616 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.184 2.925 6.218 1.00 8.54 C ATOM 0 H VAL A 70 -5.564 0.991 4.011 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.652 -0.117 5.788 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.847 1.937 6.980 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.008 1.367 8.498 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.844 -0.082 7.890 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.262 0.380 7.219 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.019 3.495 7.132 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.225 2.710 5.747 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.802 3.507 5.534 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.467 1.163 4.599 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.538 1.648 3.764 1.00 16.06 C ATOM 1133 C LEU A 71 -10.477 3.197 3.652 1.00 18.09 C ATOM 1134 O LEU A 71 -10.215 3.883 4.657 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.897 1.062 4.230 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.073 1.433 3.344 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.961 1.170 1.784 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.290 0.792 3.927 1.00 19.57 C ATOM 0 H LEU A 71 -9.810 0.675 5.427 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.419 1.290 2.741 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.816 -0.024 4.271 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.099 1.405 5.245 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.113 2.522 3.357 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.881 1.488 1.294 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.121 1.734 1.379 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.804 0.106 1.605 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.158 1.037 3.316 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.156 -0.289 3.950 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.445 1.160 4.941 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.758 3.691 2.428 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.764 5.125 2.184 1.00 25.83 C ATOM 1152 C ARG A 72 -12.176 5.427 1.715 1.00 27.74 C ATOM 1153 O ARG A 72 -12.672 4.977 0.648 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.701 5.361 1.113 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.439 6.806 0.712 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.498 7.543 -0.163 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.990 8.854 -0.658 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.489 9.024 -1.881 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.430 8.050 -2.750 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.942 10.173 -2.242 1.00 35.02 N ATOM 0 H ARG A 72 -10.979 3.118 1.613 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.532 5.764 3.036 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.763 4.931 1.465 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.990 4.808 0.220 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.306 7.384 1.626 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -8.490 6.834 0.176 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.770 6.915 -1.011 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.405 7.701 0.420 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.028 9.658 -0.032 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.774 7.123 -2.501 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.040 8.217 -3.677 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.899 10.948 -1.580 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.564 10.284 -3.183 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.987 6.136 2.476 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.264 6.755 2.102 1.00 30.76 C ATOM 1176 C LEU A 73 -14.166 8.218 1.898 1.00 32.18 C ATOM 1177 O LEU A 73 -13.335 8.920 2.540 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.269 6.487 3.271 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.510 4.953 3.755 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.238 4.931 5.142 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.331 4.251 2.668 1.00 29.11 C ATOM 0 H LEU A 73 -12.760 6.314 3.454 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.586 6.322 1.155 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.930 7.057 4.136 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.235 6.897 2.977 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.563 4.430 3.890 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.394 3.899 5.455 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.626 5.446 5.882 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.202 5.433 5.055 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.512 3.217 2.960 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.284 4.765 2.543 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.782 4.271 1.727 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.961 8.803 0.964 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.736 10.141 0.564 1.00 35.33 C ATOM 1195 C ARG A 74 -15.225 11.169 1.609 1.00 36.22 C ATOM 1196 O ARG A 74 -14.557 12.180 1.766 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.302 10.465 -0.780 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.675 9.643 -1.950 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.261 10.165 -2.306 1.00 39.75 C ATOM 1200 NE ARG A 74 -12.711 9.392 -3.465 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.004 9.862 -4.478 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -11.453 11.049 -4.450 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -11.876 9.092 -5.588 1.00 41.93 N ATOM 0 H ARG A 74 -15.745 8.342 0.502 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.652 10.222 0.489 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.377 10.289 -0.762 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.156 11.527 -0.977 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.617 8.591 -1.669 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.319 9.704 -2.827 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -13.307 11.226 -2.553 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -12.600 10.067 -1.445 1.00 39.75 H new ATOM 0 HE ARG A 74 -12.904 8.390 -3.473 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -11.563 11.643 -3.628 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -10.914 11.380 -5.250 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -12.320 8.175 -5.626 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.336 9.431 -6.384 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.317 10.868 2.391 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.743 11.603 3.600 1.00 36.07 C ATOM 1219 C GLY A 75 -15.996 11.207 4.894 1.00 36.16 C ATOM 1220 O GLY A 75 -16.251 11.758 6.005 1.00 36.26 O ATOM 0 H GLY A 75 -16.931 10.082 2.177 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.603 12.670 3.428 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.811 11.442 3.749 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.022 10.260 4.819 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.274 9.739 5.999 1.00 36.19 C ATOM 1226 C GLY A 76 -12.907 10.455 6.092 1.00 36.20 C ATOM 1227 O GLY A 76 -12.134 10.137 7.051 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.546 11.210 5.109 1.00 0.00 O ATOM 0 H GLY A 76 -14.732 9.835 3.938 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.848 9.906 6.911 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.129 8.663 5.906 1.00 36.19 H new TER 1232 GLY A 76