USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 615 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 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 51 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 60 ASN : amide:sc= -0.0284 K(o=-0.028,f=-0.98) USER MOD Set 2.2: A 62 THR OG1 : rot 170:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 8 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.45) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= 0.333 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 28:sc= -0.663! USER MOD Single : A 28 THR OG1 : rot 84:sc= 0.331 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : A 30 LYS NZ :NH3+ -125:sc= -1.48 (180deg=-3.63!) USER MOD Single : A 34 THR OG1 : rot 74:sc= 1.14 USER MOD Single : A 38 SER OG : rot 79:sc= 0.21 USER MOD Single : A 41 GLN : amide:sc= -0.0844 K(o=-0.084,f=-2.1!) USER MOD Single : A 42 ASN :FLIP amide:sc= -1.05 F(o=-3.2!,f=-1.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -4.54! C(o=-4.5!,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.725 USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 61 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 63 LYS NZ :NH3+ -165:sc=-0.000428 (180deg=-0.201) USER MOD Single : B 65 MET CE :methyl -154:sc= -0.207 (180deg=-1.32!) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -0.162 -18.068 -5.231 1.00 0.00 N ATOM 62 CA THR A 5 1.129 -18.673 -5.549 1.00 0.00 C ATOM 63 C THR A 5 2.241 -18.033 -4.716 1.00 0.00 C ATOM 64 O THR A 5 2.041 -16.989 -4.093 1.00 0.00 O ATOM 65 CB THR A 5 1.429 -18.500 -7.038 1.00 0.00 C ATOM 66 OG1 THR A 5 2.697 -19.069 -7.334 1.00 0.00 O ATOM 67 CG2 THR A 5 1.438 -17.013 -7.393 1.00 0.00 C ATOM 0 HA THR A 5 1.085 -19.736 -5.311 1.00 0.00 H new ATOM 0 HB THR A 5 0.659 -19.003 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.890 -18.960 -8.289 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.652 -16.894 -8.455 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.463 -16.579 -7.168 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.205 -16.504 -6.809 1.00 0.00 H new ATOM 75 N GLU A 6 3.417 -18.654 -4.717 1.00 0.00 N ATOM 76 CA GLU A 6 4.553 -18.124 -3.966 1.00 0.00 C ATOM 77 C GLU A 6 4.695 -16.621 -4.217 1.00 0.00 C ATOM 78 O GLU A 6 4.683 -15.823 -3.293 1.00 0.00 O ATOM 79 CB GLU A 6 5.834 -18.849 -4.397 1.00 0.00 C ATOM 80 CG GLU A 6 7.009 -18.406 -3.523 1.00 0.00 C ATOM 81 CD GLU A 6 8.276 -19.167 -3.909 1.00 0.00 C ATOM 82 OE1 GLU A 6 8.276 -19.793 -4.957 1.00 0.00 O ATOM 83 OE2 GLU A 6 9.230 -19.115 -3.148 1.00 0.00 O ATOM 0 H GLU A 6 3.609 -19.518 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 6 4.386 -18.287 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.696 -19.927 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.048 -18.634 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.172 -17.334 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.776 -18.583 -2.473 1.00 0.00 H new ATOM 90 N GLU A 7 4.839 -16.240 -5.474 1.00 0.00 N ATOM 91 CA GLU A 7 4.984 -14.834 -5.818 1.00 0.00 C ATOM 92 C GLU A 7 3.987 -13.985 -5.029 1.00 0.00 C ATOM 93 O GLU A 7 4.370 -13.034 -4.357 1.00 0.00 O ATOM 94 CB GLU A 7 4.739 -14.672 -7.327 1.00 0.00 C ATOM 95 CG GLU A 7 4.635 -13.195 -7.701 1.00 0.00 C ATOM 96 CD GLU A 7 4.570 -13.025 -9.222 1.00 0.00 C ATOM 97 OE1 GLU A 7 4.363 -14.014 -9.908 1.00 0.00 O ATOM 98 OE2 GLU A 7 4.724 -11.903 -9.678 1.00 0.00 O ATOM 0 H GLU A 7 4.859 -16.878 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 7 5.989 -14.497 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.552 -15.137 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.822 -15.189 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.746 -12.761 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.494 -12.653 -7.306 1.00 0.00 H new ATOM 105 N GLN A 8 2.711 -14.309 -5.152 1.00 0.00 N ATOM 106 CA GLN A 8 1.653 -13.540 -4.498 1.00 0.00 C ATOM 107 C GLN A 8 2.012 -13.137 -3.069 1.00 0.00 C ATOM 108 O GLN A 8 2.022 -11.948 -2.746 1.00 0.00 O ATOM 109 CB GLN A 8 0.384 -14.394 -4.456 1.00 0.00 C ATOM 110 CG GLN A 8 -0.847 -13.514 -4.201 1.00 0.00 C ATOM 111 CD GLN A 8 -1.155 -12.664 -5.428 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.191 -13.175 -6.548 1.00 0.00 O ATOM 113 NE2 GLN A 8 -1.384 -11.385 -5.280 1.00 0.00 N ATOM 0 H GLN A 8 2.377 -15.102 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 8 1.509 -12.625 -5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.267 -14.929 -5.398 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.470 -15.146 -3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.706 -14.140 -3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.670 -12.870 -3.340 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.353 -10.966 -4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.593 -10.807 -6.094 1.00 0.00 H new ATOM 122 N ILE A 9 2.287 -14.105 -2.202 1.00 0.00 N ATOM 123 CA ILE A 9 2.611 -13.764 -0.821 1.00 0.00 C ATOM 124 C ILE A 9 3.834 -12.839 -0.750 1.00 0.00 C ATOM 125 O ILE A 9 3.803 -11.794 -0.088 1.00 0.00 O ATOM 126 CB ILE A 9 2.851 -15.043 0.000 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.743 -16.007 -0.779 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.517 -15.733 0.278 1.00 0.00 C ATOM 129 CD1 ILE A 9 4.080 -17.223 0.072 1.00 0.00 C ATOM 0 H ILE A 9 2.293 -15.101 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 9 1.763 -13.227 -0.395 1.00 0.00 H new ATOM 0 HB ILE A 9 3.335 -14.769 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.238 -16.323 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.660 -15.501 -1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.690 -16.639 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.869 -15.060 0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.039 -15.994 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.716 -17.901 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.605 -16.903 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.161 -17.738 0.351 1.00 0.00 H new ATOM 141 N ALA A 10 4.897 -13.209 -1.435 1.00 0.00 N ATOM 142 CA ALA A 10 6.099 -12.400 -1.437 1.00 0.00 C ATOM 143 C ALA A 10 5.782 -11.004 -1.964 1.00 0.00 C ATOM 144 O ALA A 10 6.326 -10.013 -1.487 1.00 0.00 O ATOM 145 CB ALA A 10 7.157 -13.064 -2.323 1.00 0.00 C ATOM 0 H ALA A 10 4.953 -14.060 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 10 6.481 -12.315 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.062 -12.457 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.387 -14.056 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.776 -13.152 -3.340 1.00 0.00 H new ATOM 151 N GLU A 11 4.894 -10.947 -2.953 1.00 0.00 N ATOM 152 CA GLU A 11 4.501 -9.682 -3.565 1.00 0.00 C ATOM 153 C GLU A 11 3.895 -8.735 -2.533 1.00 0.00 C ATOM 154 O GLU A 11 4.222 -7.549 -2.506 1.00 0.00 O ATOM 155 CB GLU A 11 3.479 -9.950 -4.675 1.00 0.00 C ATOM 156 CG GLU A 11 3.275 -8.685 -5.508 1.00 0.00 C ATOM 157 CD GLU A 11 2.316 -8.967 -6.663 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.691 -10.017 -6.652 1.00 0.00 O ATOM 159 OE2 GLU A 11 2.222 -8.129 -7.543 1.00 0.00 O ATOM 0 H GLU A 11 4.432 -11.766 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 11 5.391 -9.210 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.825 -10.764 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.531 -10.267 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.877 -7.887 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.232 -8.337 -5.896 1.00 0.00 H new ATOM 166 N PHE A 12 3.011 -9.256 -1.687 1.00 0.00 N ATOM 167 CA PHE A 12 2.380 -8.431 -0.673 1.00 0.00 C ATOM 168 C PHE A 12 3.436 -7.900 0.303 1.00 0.00 C ATOM 169 O PHE A 12 3.409 -6.730 0.683 1.00 0.00 O ATOM 170 CB PHE A 12 1.274 -9.256 0.048 1.00 0.00 C ATOM 171 CG PHE A 12 1.628 -9.516 1.500 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.657 -8.455 2.409 1.00 0.00 C ATOM 173 CD2 PHE A 12 1.940 -10.808 1.929 1.00 0.00 C ATOM 174 CE1 PHE A 12 1.994 -8.683 3.739 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.283 -11.036 3.262 1.00 0.00 C ATOM 176 CZ PHE A 12 2.308 -9.975 4.168 1.00 0.00 C ATOM 0 H PHE A 12 2.721 -10.234 -1.686 1.00 0.00 H new ATOM 0 HA PHE A 12 1.904 -7.566 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.326 -8.720 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.133 -10.206 -0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.417 -7.455 2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.916 -11.630 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.013 -7.862 4.440 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.529 -12.034 3.593 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.570 -10.153 5.201 1.00 0.00 H new ATOM 186 N LYS A 13 4.350 -8.774 0.717 1.00 0.00 N ATOM 187 CA LYS A 13 5.390 -8.380 1.660 1.00 0.00 C ATOM 188 C LYS A 13 6.242 -7.261 1.073 1.00 0.00 C ATOM 189 O LYS A 13 6.535 -6.272 1.747 1.00 0.00 O ATOM 190 CB LYS A 13 6.279 -9.586 1.981 1.00 0.00 C ATOM 191 CG LYS A 13 7.257 -9.246 3.125 1.00 0.00 C ATOM 192 CD LYS A 13 6.582 -9.492 4.487 1.00 0.00 C ATOM 193 CE LYS A 13 6.713 -10.963 4.894 1.00 0.00 C ATOM 194 NZ LYS A 13 6.237 -11.113 6.292 1.00 0.00 N ATOM 0 H LYS A 13 4.391 -9.748 0.418 1.00 0.00 H new ATOM 0 HA LYS A 13 4.917 -8.021 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.660 -10.437 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.837 -9.881 1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.156 -9.857 3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.571 -8.205 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.039 -8.857 5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.529 -9.216 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.127 -11.594 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.750 -11.287 4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.320 -12.108 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.815 -10.519 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.242 -10.817 6.354 1.00 0.00 H new ATOM 208 N GLU A 14 6.631 -7.423 -0.184 1.00 0.00 N ATOM 209 CA GLU A 14 7.444 -6.417 -0.854 1.00 0.00 C ATOM 210 C GLU A 14 6.744 -5.062 -0.805 1.00 0.00 C ATOM 211 O GLU A 14 7.312 -4.077 -0.338 1.00 0.00 O ATOM 212 CB GLU A 14 7.675 -6.828 -2.313 1.00 0.00 C ATOM 213 CG GLU A 14 8.649 -8.016 -2.382 1.00 0.00 C ATOM 214 CD GLU A 14 8.810 -8.495 -3.825 1.00 0.00 C ATOM 215 OE1 GLU A 14 7.813 -8.557 -4.526 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.930 -8.792 -4.207 1.00 0.00 O ATOM 0 H GLU A 14 6.399 -8.235 -0.757 1.00 0.00 H new ATOM 0 HA GLU A 14 8.404 -6.339 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.726 -7.099 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.077 -5.986 -2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.619 -7.722 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.280 -8.832 -1.761 1.00 0.00 H new ATOM 223 N ALA A 15 5.503 -5.025 -1.274 1.00 0.00 N ATOM 224 CA ALA A 15 4.729 -3.786 -1.270 1.00 0.00 C ATOM 225 C ALA A 15 4.594 -3.250 0.153 1.00 0.00 C ATOM 226 O ALA A 15 4.811 -2.059 0.408 1.00 0.00 O ATOM 227 CB ALA A 15 3.350 -4.045 -1.877 1.00 0.00 C ATOM 0 H ALA A 15 5.012 -5.832 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 15 5.247 -3.037 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.772 -3.121 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.464 -4.399 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.829 -4.800 -1.288 1.00 0.00 H new ATOM 233 N PHE A 16 4.262 -4.137 1.082 1.00 0.00 N ATOM 234 CA PHE A 16 4.126 -3.742 2.476 1.00 0.00 C ATOM 235 C PHE A 16 5.423 -3.107 2.991 1.00 0.00 C ATOM 236 O PHE A 16 5.397 -2.037 3.601 1.00 0.00 O ATOM 237 CB PHE A 16 3.748 -4.984 3.322 1.00 0.00 C ATOM 238 CG PHE A 16 4.460 -4.980 4.659 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.019 -4.156 5.699 1.00 0.00 C ATOM 240 CD2 PHE A 16 5.588 -5.794 4.837 1.00 0.00 C ATOM 241 CE1 PHE A 16 4.704 -4.151 6.917 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.271 -5.783 6.050 1.00 0.00 C ATOM 243 CZ PHE A 16 5.831 -4.966 7.087 1.00 0.00 C ATOM 0 H PHE A 16 4.084 -5.124 0.898 1.00 0.00 H new ATOM 0 HA PHE A 16 3.337 -2.995 2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.670 -5.002 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.004 -5.891 2.774 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.153 -3.526 5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.927 -6.430 4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.365 -3.520 7.726 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.141 -6.408 6.186 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.361 -4.960 8.028 1.00 0.00 H new ATOM 253 N SER A 17 6.542 -3.784 2.759 1.00 0.00 N ATOM 254 CA SER A 17 7.837 -3.294 3.223 1.00 0.00 C ATOM 255 C SER A 17 8.147 -1.912 2.655 1.00 0.00 C ATOM 256 O SER A 17 8.723 -1.066 3.338 1.00 0.00 O ATOM 257 CB SER A 17 8.940 -4.276 2.816 1.00 0.00 C ATOM 258 OG SER A 17 10.093 -4.039 3.616 1.00 0.00 O ATOM 0 H SER A 17 6.580 -4.670 2.255 1.00 0.00 H new ATOM 0 HA SER A 17 7.796 -3.213 4.309 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.597 -5.302 2.946 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.183 -4.152 1.761 1.00 0.00 H new ATOM 0 HG SER A 17 10.802 -4.666 3.361 1.00 0.00 H new ATOM 264 N LEU A 18 7.767 -1.693 1.404 1.00 0.00 N ATOM 265 CA LEU A 18 8.021 -0.403 0.750 1.00 0.00 C ATOM 266 C LEU A 18 7.306 0.728 1.470 1.00 0.00 C ATOM 267 O LEU A 18 7.864 1.813 1.630 1.00 0.00 O ATOM 268 CB LEU A 18 7.569 -0.446 -0.711 1.00 0.00 C ATOM 269 CG LEU A 18 8.520 -1.329 -1.538 1.00 0.00 C ATOM 270 CD1 LEU A 18 7.949 -1.507 -2.948 1.00 0.00 C ATOM 271 CD2 LEU A 18 9.919 -0.681 -1.628 1.00 0.00 C ATOM 0 H LEU A 18 7.287 -2.379 0.821 1.00 0.00 H new ATOM 0 HA LEU A 18 9.094 -0.218 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.553 -0.836 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.549 0.563 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 18 8.614 -2.299 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.621 -2.132 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.970 -1.983 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.849 -0.532 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.578 -1.319 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.838 0.295 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.330 -0.561 -0.625 1.00 0.00 H new ATOM 283 N PHE A 19 6.073 0.479 1.881 1.00 0.00 N ATOM 284 CA PHE A 19 5.296 1.504 2.573 1.00 0.00 C ATOM 285 C PHE A 19 5.793 1.730 3.999 1.00 0.00 C ATOM 286 O PHE A 19 5.849 2.859 4.461 1.00 0.00 O ATOM 287 CB PHE A 19 3.826 1.112 2.604 1.00 0.00 C ATOM 288 CG PHE A 19 3.298 1.017 1.191 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.248 2.156 0.378 1.00 0.00 C ATOM 290 CD2 PHE A 19 2.863 -0.212 0.692 1.00 0.00 C ATOM 291 CE1 PHE A 19 2.762 2.061 -0.931 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.380 -0.306 -0.610 1.00 0.00 C ATOM 293 CZ PHE A 19 2.329 0.828 -1.427 1.00 0.00 C ATOM 0 H PHE A 19 5.591 -0.410 1.752 1.00 0.00 H new ATOM 0 HA PHE A 19 5.421 2.436 2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.705 0.156 3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.254 1.849 3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.585 3.108 0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.901 -1.092 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.722 2.940 -1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.043 -1.259 -0.991 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.956 0.751 -2.438 1.00 0.00 H new ATOM 303 N ASP A 20 6.127 0.657 4.702 1.00 0.00 N ATOM 304 CA ASP A 20 6.594 0.785 6.080 1.00 0.00 C ATOM 305 C ASP A 20 7.949 1.492 6.138 1.00 0.00 C ATOM 306 O ASP A 20 8.963 0.883 6.477 1.00 0.00 O ATOM 307 CB ASP A 20 6.709 -0.603 6.721 1.00 0.00 C ATOM 308 CG ASP A 20 6.924 -0.469 8.226 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.408 0.567 8.646 1.00 0.00 O ATOM 310 OD2 ASP A 20 6.602 -1.408 8.935 1.00 0.00 O ATOM 0 H ASP A 20 6.085 -0.299 4.350 1.00 0.00 H new ATOM 0 HA ASP A 20 5.869 1.385 6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.805 -1.179 6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.539 -1.151 6.275 1.00 0.00 H new ATOM 315 N LYS A 21 7.962 2.784 5.805 1.00 0.00 N ATOM 316 CA LYS A 21 9.214 3.542 5.819 1.00 0.00 C ATOM 317 C LYS A 21 9.835 3.480 7.205 1.00 0.00 C ATOM 318 O LYS A 21 11.028 3.209 7.343 1.00 0.00 O ATOM 319 CB LYS A 21 8.962 5.007 5.425 1.00 0.00 C ATOM 320 CG LYS A 21 7.991 5.097 4.236 1.00 0.00 C ATOM 321 CD LYS A 21 8.425 4.172 3.085 1.00 0.00 C ATOM 322 CE LYS A 21 9.806 4.591 2.560 1.00 0.00 C ATOM 323 NZ LYS A 21 10.063 3.924 1.253 1.00 0.00 N ATOM 0 H LYS A 21 7.138 3.318 5.528 1.00 0.00 H new ATOM 0 HA LYS A 21 9.899 3.100 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.552 5.551 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.906 5.485 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.987 4.827 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.944 6.126 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.458 3.139 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.693 4.215 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.849 5.674 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.579 4.317 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.041 3.572 1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.405 3.127 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.922 4.607 0.481 1.00 0.00 H new ATOM 337 N ASP A 22 9.030 3.726 8.230 1.00 0.00 N ATOM 338 CA ASP A 22 9.528 3.694 9.595 1.00 0.00 C ATOM 339 C ASP A 22 10.139 2.329 9.885 1.00 0.00 C ATOM 340 O ASP A 22 10.904 2.167 10.836 1.00 0.00 O ATOM 341 CB ASP A 22 8.362 3.961 10.552 1.00 0.00 C ATOM 342 CG ASP A 22 8.785 3.742 11.997 1.00 0.00 C ATOM 343 OD1 ASP A 22 9.974 3.807 12.263 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.909 3.506 12.815 1.00 0.00 O ATOM 0 H ASP A 22 8.038 3.948 8.142 1.00 0.00 H new ATOM 0 HA ASP A 22 10.294 4.457 9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.008 4.984 10.424 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.528 3.302 10.309 1.00 0.00 H new ATOM 349 N GLY A 23 9.823 1.357 9.032 1.00 0.00 N ATOM 350 CA GLY A 23 10.369 0.013 9.171 1.00 0.00 C ATOM 351 C GLY A 23 10.124 -0.567 10.558 1.00 0.00 C ATOM 352 O GLY A 23 10.978 -1.269 11.099 1.00 0.00 O ATOM 0 H GLY A 23 9.193 1.477 8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.920 -0.639 8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.441 0.036 8.973 1.00 0.00 H new ATOM 356 N ASP A 24 8.960 -0.274 11.138 1.00 0.00 N ATOM 357 CA ASP A 24 8.634 -0.789 12.473 1.00 0.00 C ATOM 358 C ASP A 24 7.753 -2.036 12.375 1.00 0.00 C ATOM 359 O ASP A 24 7.407 -2.640 13.388 1.00 0.00 O ATOM 360 CB ASP A 24 7.930 0.295 13.298 1.00 0.00 C ATOM 361 CG ASP A 24 6.469 0.435 12.885 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.179 0.237 11.719 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.663 0.743 13.746 1.00 0.00 O ATOM 0 H ASP A 24 8.236 0.307 10.715 1.00 0.00 H new ATOM 0 HA ASP A 24 9.563 -1.067 12.971 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.990 0.046 14.358 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.442 1.248 13.165 1.00 0.00 H new ATOM 368 N GLY A 25 7.390 -2.412 11.149 1.00 0.00 N ATOM 369 CA GLY A 25 6.545 -3.588 10.930 1.00 0.00 C ATOM 370 C GLY A 25 5.103 -3.179 10.651 1.00 0.00 C ATOM 371 O GLY A 25 4.220 -4.022 10.526 1.00 0.00 O ATOM 0 H GLY A 25 7.665 -1.924 10.297 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.931 -4.167 10.091 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.580 -4.234 11.807 1.00 0.00 H new ATOM 375 N THR A 26 4.866 -1.876 10.553 1.00 0.00 N ATOM 376 CA THR A 26 3.524 -1.370 10.287 1.00 0.00 C ATOM 377 C THR A 26 3.596 -0.145 9.388 1.00 0.00 C ATOM 378 O THR A 26 4.612 0.548 9.355 1.00 0.00 O ATOM 379 CB THR A 26 2.846 -0.996 11.610 1.00 0.00 C ATOM 380 OG1 THR A 26 3.779 -0.336 12.460 1.00 0.00 O ATOM 381 CG2 THR A 26 2.317 -2.259 12.302 1.00 0.00 C ATOM 0 H THR A 26 5.580 -1.155 10.653 1.00 0.00 H new ATOM 0 HA THR A 26 2.945 -2.145 9.786 1.00 0.00 H new ATOM 0 HB THR A 26 2.011 -0.326 11.405 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.451 0.124 11.914 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.837 -1.985 13.241 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.592 -2.752 11.654 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.146 -2.938 12.503 1.00 0.00 H new ATOM 389 N ILE A 27 2.502 0.140 8.678 1.00 0.00 N ATOM 390 CA ILE A 27 2.453 1.307 7.805 1.00 0.00 C ATOM 391 C ILE A 27 1.601 2.382 8.469 1.00 0.00 C ATOM 392 O ILE A 27 0.468 2.118 8.882 1.00 0.00 O ATOM 393 CB ILE A 27 1.843 0.934 6.456 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.663 -0.186 5.809 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.842 2.154 5.539 1.00 0.00 C ATOM 396 CD1 ILE A 27 1.872 -0.791 4.637 1.00 0.00 C ATOM 0 H ILE A 27 1.648 -0.417 8.692 1.00 0.00 H new ATOM 0 HA ILE A 27 3.465 1.678 7.640 1.00 0.00 H new ATOM 0 HB ILE A 27 0.819 0.592 6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.616 0.205 5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.889 -0.957 6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.406 1.885 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.254 2.951 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.865 2.498 5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.456 -1.588 4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.930 -1.197 5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.669 -0.017 3.897 1.00 0.00 H new ATOM 408 N THR A 28 2.159 3.587 8.584 1.00 0.00 N ATOM 409 CA THR A 28 1.453 4.707 9.218 1.00 0.00 C ATOM 410 C THR A 28 1.029 5.744 8.176 1.00 0.00 C ATOM 411 O THR A 28 1.512 5.738 7.043 1.00 0.00 O ATOM 412 CB THR A 28 2.359 5.362 10.267 1.00 0.00 C ATOM 413 OG1 THR A 28 2.632 4.427 11.302 1.00 0.00 O ATOM 414 CG2 THR A 28 1.657 6.581 10.868 1.00 0.00 C ATOM 0 H THR A 28 3.095 3.815 8.248 1.00 0.00 H new ATOM 0 HA THR A 28 0.556 4.321 9.702 1.00 0.00 H new ATOM 0 HB THR A 28 3.289 5.675 9.793 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.379 3.852 11.034 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.305 7.043 11.613 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.440 7.301 10.079 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.726 6.268 11.341 1.00 0.00 H new ATOM 422 N THR A 29 0.122 6.634 8.575 1.00 0.00 N ATOM 423 CA THR A 29 -0.378 7.675 7.682 1.00 0.00 C ATOM 424 C THR A 29 0.776 8.488 7.102 1.00 0.00 C ATOM 425 O THR A 29 0.795 8.800 5.911 1.00 0.00 O ATOM 426 CB THR A 29 -1.308 8.614 8.461 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.633 9.097 9.615 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.574 7.865 8.885 1.00 0.00 C ATOM 0 H THR A 29 -0.281 6.654 9.512 1.00 0.00 H new ATOM 0 HA THR A 29 -0.921 7.199 6.866 1.00 0.00 H new ATOM 0 HB THR A 29 -1.587 9.452 7.822 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.225 9.698 10.113 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.228 8.540 9.437 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.094 7.499 8.000 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.302 7.022 9.520 1.00 0.00 H new ATOM 436 N LYS A 30 1.727 8.829 7.958 1.00 0.00 N ATOM 437 CA LYS A 30 2.891 9.606 7.550 1.00 0.00 C ATOM 438 C LYS A 30 3.780 8.794 6.608 1.00 0.00 C ATOM 439 O LYS A 30 4.297 9.318 5.622 1.00 0.00 O ATOM 440 CB LYS A 30 3.681 10.036 8.788 1.00 0.00 C ATOM 441 CG LYS A 30 2.854 11.047 9.588 1.00 0.00 C ATOM 442 CD LYS A 30 3.533 11.318 10.935 1.00 0.00 C ATOM 443 CE LYS A 30 4.955 11.847 10.709 1.00 0.00 C ATOM 444 NZ LYS A 30 5.887 10.696 10.556 1.00 0.00 N ATOM 0 H LYS A 30 1.716 8.579 8.947 1.00 0.00 H new ATOM 0 HA LYS A 30 2.552 10.493 7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.913 9.168 9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.632 10.479 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.755 11.976 9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.847 10.662 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.953 12.044 11.505 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.566 10.402 11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.985 12.475 9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.262 12.470 11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.661 10.782 11.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.372 9.808 10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.280 10.693 9.593 1.00 0.00 H new ATOM 458 N GLU A 31 3.949 7.509 6.920 1.00 0.00 N ATOM 459 CA GLU A 31 4.772 6.632 6.089 1.00 0.00 C ATOM 460 C GLU A 31 4.229 6.610 4.660 1.00 0.00 C ATOM 461 O GLU A 31 4.935 6.948 3.704 1.00 0.00 O ATOM 462 CB GLU A 31 4.765 5.209 6.671 1.00 0.00 C ATOM 463 CG GLU A 31 5.634 5.156 7.936 1.00 0.00 C ATOM 464 CD GLU A 31 5.534 3.780 8.595 1.00 0.00 C ATOM 465 OE1 GLU A 31 4.627 3.588 9.389 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.370 2.943 8.302 1.00 0.00 O ATOM 0 H GLU A 31 3.532 7.056 7.733 1.00 0.00 H new ATOM 0 HA GLU A 31 5.795 7.009 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.744 4.909 6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.141 4.503 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.672 5.369 7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.313 5.926 8.637 1.00 0.00 H new ATOM 473 N LEU A 32 2.963 6.229 4.525 1.00 0.00 N ATOM 474 CA LEU A 32 2.320 6.177 3.216 1.00 0.00 C ATOM 475 C LEU A 32 2.294 7.556 2.573 1.00 0.00 C ATOM 476 O LEU A 32 2.669 7.712 1.413 1.00 0.00 O ATOM 477 CB LEU A 32 0.894 5.654 3.389 1.00 0.00 C ATOM 478 CG LEU A 32 0.095 5.728 2.077 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.720 4.786 1.044 1.00 0.00 C ATOM 480 CD2 LEU A 32 -1.356 5.311 2.342 1.00 0.00 C ATOM 0 H LEU A 32 2.363 5.953 5.302 1.00 0.00 H new ATOM 0 HA LEU A 32 2.885 5.511 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.925 4.622 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.385 6.235 4.158 1.00 0.00 H new ATOM 0 HG LEU A 32 0.116 6.748 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.154 4.838 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.752 5.084 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.700 3.765 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.925 5.363 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.377 4.290 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.799 5.983 3.077 1.00 0.00 H new ATOM 492 N GLY A 33 1.856 8.554 3.333 1.00 0.00 N ATOM 493 CA GLY A 33 1.785 9.916 2.815 1.00 0.00 C ATOM 494 C GLY A 33 3.086 10.290 2.126 1.00 0.00 C ATOM 495 O GLY A 33 3.081 10.874 1.042 1.00 0.00 O ATOM 0 H GLY A 33 1.548 8.448 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.956 10.002 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.585 10.612 3.630 1.00 0.00 H new ATOM 499 N THR A 34 4.202 9.948 2.760 1.00 0.00 N ATOM 500 CA THR A 34 5.505 10.257 2.191 1.00 0.00 C ATOM 501 C THR A 34 5.642 9.585 0.833 1.00 0.00 C ATOM 502 O THR A 34 6.016 10.227 -0.148 1.00 0.00 O ATOM 503 CB THR A 34 6.614 9.768 3.129 1.00 0.00 C ATOM 504 OG1 THR A 34 6.515 10.446 4.374 1.00 0.00 O ATOM 505 CG2 THR A 34 7.985 10.044 2.508 1.00 0.00 C ATOM 0 H THR A 34 4.230 9.463 3.657 1.00 0.00 H new ATOM 0 HA THR A 34 5.596 11.336 2.068 1.00 0.00 H new ATOM 0 HB THR A 34 6.501 8.695 3.285 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.747 10.100 4.875 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.767 9.693 3.182 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.065 9.520 1.555 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.101 11.115 2.344 1.00 0.00 H new ATOM 513 N VAL A 35 5.329 8.290 0.771 1.00 0.00 N ATOM 514 CA VAL A 35 5.417 7.548 -0.483 1.00 0.00 C ATOM 515 C VAL A 35 4.483 8.142 -1.532 1.00 0.00 C ATOM 516 O VAL A 35 4.853 8.274 -2.698 1.00 0.00 O ATOM 517 CB VAL A 35 5.031 6.081 -0.242 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.173 5.281 -1.544 1.00 0.00 C ATOM 519 CG2 VAL A 35 5.948 5.479 0.818 1.00 0.00 C ATOM 0 H VAL A 35 5.015 7.738 1.569 1.00 0.00 H new ATOM 0 HA VAL A 35 6.442 7.612 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 35 3.996 6.038 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.897 4.242 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.517 5.704 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.206 5.328 -1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.673 4.438 0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.982 5.530 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.845 6.038 1.748 1.00 0.00 H new ATOM 529 N MET A 36 3.277 8.504 -1.109 1.00 0.00 N ATOM 530 CA MET A 36 2.299 9.081 -2.029 1.00 0.00 C ATOM 531 C MET A 36 2.787 10.413 -2.596 1.00 0.00 C ATOM 532 O MET A 36 2.505 10.751 -3.745 1.00 0.00 O ATOM 533 CB MET A 36 0.954 9.263 -1.325 1.00 0.00 C ATOM 534 CG MET A 36 0.406 7.887 -0.922 1.00 0.00 C ATOM 535 SD MET A 36 0.082 6.877 -2.393 1.00 0.00 S ATOM 536 CE MET A 36 -1.663 7.304 -2.574 1.00 0.00 C ATOM 0 H MET A 36 2.954 8.410 -0.146 1.00 0.00 H new ATOM 0 HA MET A 36 2.173 8.390 -2.862 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.074 9.893 -0.443 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.250 9.769 -1.985 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.122 7.379 -0.275 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.512 8.009 -0.348 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.077 6.784 -3.437 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.205 7.007 -1.676 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.761 8.380 -2.717 1.00 0.00 H new ATOM 546 N ARG A 37 3.512 11.163 -1.784 1.00 0.00 N ATOM 547 CA ARG A 37 4.035 12.454 -2.221 1.00 0.00 C ATOM 548 C ARG A 37 5.305 12.281 -3.058 1.00 0.00 C ATOM 549 O ARG A 37 5.421 12.847 -4.144 1.00 0.00 O ATOM 550 CB ARG A 37 4.320 13.341 -1.010 1.00 0.00 C ATOM 551 CG ARG A 37 4.850 14.721 -1.478 1.00 0.00 C ATOM 552 CD ARG A 37 6.368 14.784 -1.351 1.00 0.00 C ATOM 553 NE ARG A 37 6.827 16.122 -1.665 1.00 0.00 N ATOM 554 CZ ARG A 37 8.112 16.437 -1.620 1.00 0.00 C ATOM 555 NH1 ARG A 37 8.998 15.536 -1.284 1.00 0.00 N ATOM 556 NH2 ARG A 37 8.488 17.651 -1.907 1.00 0.00 N ATOM 0 H ARG A 37 3.752 10.907 -0.826 1.00 0.00 H new ATOM 0 HA ARG A 37 3.281 12.932 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.411 13.471 -0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.053 12.861 -0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.559 14.896 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.397 15.512 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.670 14.513 -0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.830 14.063 -2.025 1.00 0.00 H new ATOM 0 HE ARG A 37 6.146 16.835 -1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.700 14.588 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.987 15.781 -1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.794 18.352 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.477 17.900 -1.874 1.00 0.00 H new ATOM 570 N SER A 38 6.258 11.511 -2.537 1.00 0.00 N ATOM 571 CA SER A 38 7.526 11.287 -3.232 1.00 0.00 C ATOM 572 C SER A 38 7.284 10.898 -4.685 1.00 0.00 C ATOM 573 O SER A 38 8.182 10.996 -5.520 1.00 0.00 O ATOM 574 CB SER A 38 8.319 10.182 -2.535 1.00 0.00 C ATOM 575 OG SER A 38 8.797 10.662 -1.285 1.00 0.00 O ATOM 0 H SER A 38 6.178 11.033 -1.640 1.00 0.00 H new ATOM 0 HA SER A 38 8.096 12.216 -3.206 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.688 9.306 -2.384 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.155 9.869 -3.161 1.00 0.00 H new ATOM 0 HG SER A 38 8.073 10.635 -0.626 1.00 0.00 H new ATOM 581 N LEU A 39 6.068 10.459 -4.981 1.00 0.00 N ATOM 582 CA LEU A 39 5.726 10.061 -6.344 1.00 0.00 C ATOM 583 C LEU A 39 5.706 11.260 -7.284 1.00 0.00 C ATOM 584 O LEU A 39 5.707 11.095 -8.504 1.00 0.00 O ATOM 585 CB LEU A 39 4.357 9.389 -6.345 1.00 0.00 C ATOM 586 CG LEU A 39 4.481 7.952 -5.791 1.00 0.00 C ATOM 587 CD1 LEU A 39 3.089 7.397 -5.414 1.00 0.00 C ATOM 588 CD2 LEU A 39 5.135 7.024 -6.843 1.00 0.00 C ATOM 0 H LEU A 39 5.308 10.369 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 39 6.487 9.365 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.659 9.964 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.954 9.365 -7.357 1.00 0.00 H new ATOM 0 HG LEU A 39 5.108 7.984 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.194 6.384 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.638 8.033 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.452 7.382 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.216 6.015 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.521 7.006 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.129 7.397 -7.089 1.00 0.00 H new ATOM 600 N GLY A 40 5.701 12.464 -6.718 1.00 0.00 N ATOM 601 CA GLY A 40 5.698 13.688 -7.522 1.00 0.00 C ATOM 602 C GLY A 40 4.322 14.344 -7.544 1.00 0.00 C ATOM 603 O GLY A 40 3.896 14.865 -8.572 1.00 0.00 O ATOM 0 H GLY A 40 5.699 12.621 -5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.429 14.389 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.007 13.455 -8.541 1.00 0.00 H new ATOM 607 N GLN A 41 3.628 14.331 -6.404 1.00 0.00 N ATOM 608 CA GLN A 41 2.296 14.947 -6.326 1.00 0.00 C ATOM 609 C GLN A 41 2.079 15.587 -4.958 1.00 0.00 C ATOM 610 O GLN A 41 2.888 15.419 -4.048 1.00 0.00 O ATOM 611 CB GLN A 41 1.216 13.891 -6.605 1.00 0.00 C ATOM 612 CG GLN A 41 -0.162 14.562 -6.734 1.00 0.00 C ATOM 613 CD GLN A 41 -1.157 13.616 -7.400 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.760 12.630 -8.021 1.00 0.00 O ATOM 615 NE2 GLN A 41 -2.440 13.866 -7.308 1.00 0.00 N ATOM 0 H GLN A 41 3.956 13.910 -5.535 1.00 0.00 H new ATOM 0 HA GLN A 41 2.226 15.730 -7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.453 13.351 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.197 13.157 -5.799 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.527 14.848 -5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.074 15.477 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.764 14.684 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.114 13.242 -7.752 1.00 0.00 H new ATOM 624 N ASN A 42 0.976 16.324 -4.819 1.00 0.00 N ATOM 625 CA ASN A 42 0.642 16.993 -3.558 1.00 0.00 C ATOM 626 C ASN A 42 -0.664 16.440 -2.963 1.00 0.00 C ATOM 627 O ASN A 42 -1.714 17.075 -3.065 1.00 0.00 O ATOM 628 CB ASN A 42 0.478 18.485 -3.814 1.00 0.00 C ATOM 629 CG ASN A 42 1.589 18.984 -4.737 1.00 0.00 C ATOM 630 OD1 ASN A 42 1.696 18.493 -5.943 1.00 0.00 O flip ATOM 631 ND2 ASN A 42 2.381 19.845 -4.348 1.00 0.00 N flip ATOM 0 H ASN A 42 0.297 16.474 -5.565 1.00 0.00 H new ATOM 0 HA ASN A 42 1.449 16.812 -2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.495 18.680 -4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.507 19.029 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.296 20.228 -3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.121 20.175 -4.968 1.00 0.00 H new ATOM 638 N PRO A 43 -0.619 15.284 -2.345 1.00 0.00 N ATOM 639 CA PRO A 43 -1.814 14.654 -1.721 1.00 0.00 C ATOM 640 C PRO A 43 -2.129 15.269 -0.360 1.00 0.00 C ATOM 641 O PRO A 43 -1.407 16.145 0.116 1.00 0.00 O ATOM 642 CB PRO A 43 -1.420 13.177 -1.588 1.00 0.00 C ATOM 643 CG PRO A 43 0.079 13.173 -1.485 1.00 0.00 C ATOM 644 CD PRO A 43 0.580 14.455 -2.176 1.00 0.00 C ATOM 0 HA PRO A 43 -2.718 14.798 -2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.876 12.726 -0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.756 12.601 -2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.394 13.149 -0.442 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.496 12.288 -1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.330 14.963 -1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.044 14.231 -3.136 1.00 0.00 H new ATOM 652 N THR A 44 -3.219 14.810 0.257 1.00 0.00 N ATOM 653 CA THR A 44 -3.640 15.321 1.565 1.00 0.00 C ATOM 654 C THR A 44 -3.686 14.194 2.592 1.00 0.00 C ATOM 655 O THR A 44 -3.961 13.044 2.259 1.00 0.00 O ATOM 656 CB THR A 44 -5.020 15.977 1.444 1.00 0.00 C ATOM 657 OG1 THR A 44 -4.993 16.934 0.394 1.00 0.00 O ATOM 658 CG2 THR A 44 -5.372 16.679 2.756 1.00 0.00 C ATOM 0 H THR A 44 -3.827 14.086 -0.127 1.00 0.00 H new ATOM 0 HA THR A 44 -2.916 16.063 1.900 1.00 0.00 H new ATOM 0 HB THR A 44 -5.767 15.213 1.229 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.874 17.355 0.312 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.354 17.145 2.668 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.388 15.950 3.566 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.626 17.444 2.971 1.00 0.00 H new ATOM 666 N GLU A 45 -3.414 14.541 3.844 1.00 0.00 N ATOM 667 CA GLU A 45 -3.429 13.564 4.928 1.00 0.00 C ATOM 668 C GLU A 45 -4.856 13.119 5.214 1.00 0.00 C ATOM 669 O GLU A 45 -5.152 11.936 5.171 1.00 0.00 O ATOM 670 CB GLU A 45 -2.806 14.178 6.184 1.00 0.00 C ATOM 671 CG GLU A 45 -3.568 15.454 6.581 1.00 0.00 C ATOM 672 CD GLU A 45 -2.666 16.376 7.396 1.00 0.00 C ATOM 673 OE1 GLU A 45 -1.544 16.601 6.970 1.00 0.00 O ATOM 674 OE2 GLU A 45 -3.108 16.841 8.432 1.00 0.00 O ATOM 0 H GLU A 45 -3.180 15.490 4.135 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.846 12.692 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.834 13.459 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.757 14.413 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.916 15.971 5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.452 15.192 7.162 1.00 0.00 H new ATOM 681 N ALA A 46 -5.733 14.079 5.504 1.00 0.00 N ATOM 682 CA ALA A 46 -7.132 13.768 5.806 1.00 0.00 C ATOM 683 C ALA A 46 -7.625 12.659 4.879 1.00 0.00 C ATOM 684 O ALA A 46 -8.271 11.704 5.316 1.00 0.00 O ATOM 685 CB ALA A 46 -7.980 15.024 5.601 1.00 0.00 C ATOM 0 H ALA A 46 -5.503 15.072 5.537 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.217 13.433 6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.023 14.799 5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.628 15.813 6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.894 15.356 4.566 1.00 0.00 H new ATOM 691 N GLU A 47 -7.277 12.777 3.602 1.00 0.00 N ATOM 692 CA GLU A 47 -7.646 11.767 2.618 1.00 0.00 C ATOM 693 C GLU A 47 -7.102 10.398 3.041 1.00 0.00 C ATOM 694 O GLU A 47 -7.864 9.472 3.303 1.00 0.00 O ATOM 695 CB GLU A 47 -7.065 12.158 1.255 1.00 0.00 C ATOM 696 CG GLU A 47 -7.831 13.356 0.674 1.00 0.00 C ATOM 697 CD GLU A 47 -9.265 12.962 0.334 1.00 0.00 C ATOM 698 OE1 GLU A 47 -9.509 11.781 0.161 1.00 0.00 O ATOM 699 OE2 GLU A 47 -10.098 13.852 0.251 1.00 0.00 O ATOM 0 H GLU A 47 -6.742 13.559 3.225 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.732 11.707 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.009 12.409 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.125 11.312 0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.834 14.176 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.326 13.718 -0.221 1.00 0.00 H new ATOM 706 N LEU A 48 -5.778 10.282 3.111 1.00 0.00 N ATOM 707 CA LEU A 48 -5.149 9.019 3.506 1.00 0.00 C ATOM 708 C LEU A 48 -5.660 8.594 4.884 1.00 0.00 C ATOM 709 O LEU A 48 -6.099 7.458 5.069 1.00 0.00 O ATOM 710 CB LEU A 48 -3.625 9.217 3.552 1.00 0.00 C ATOM 711 CG LEU A 48 -3.010 9.011 2.162 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.761 9.856 1.128 1.00 0.00 C ATOM 713 CD2 LEU A 48 -1.536 9.432 2.189 1.00 0.00 C ATOM 0 H LEU A 48 -5.124 11.036 2.902 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.398 8.241 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.394 10.219 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.183 8.514 4.259 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.087 7.958 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.318 9.704 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.809 9.556 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.691 10.909 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.098 9.286 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.463 10.484 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.998 8.826 2.918 1.00 0.00 H new ATOM 725 N GLN A 49 -5.612 9.513 5.841 1.00 0.00 N ATOM 726 CA GLN A 49 -6.077 9.232 7.191 1.00 0.00 C ATOM 727 C GLN A 49 -7.475 8.626 7.159 1.00 0.00 C ATOM 728 O GLN A 49 -7.858 7.879 8.059 1.00 0.00 O ATOM 729 CB GLN A 49 -6.099 10.527 8.009 1.00 0.00 C ATOM 730 CG GLN A 49 -4.667 10.987 8.303 1.00 0.00 C ATOM 731 CD GLN A 49 -4.682 12.313 9.060 1.00 0.00 C ATOM 732 OE1 GLN A 49 -5.804 12.962 9.203 1.00 0.00 O flip ATOM 733 NE2 GLN A 49 -3.639 12.770 9.534 1.00 0.00 N flip ATOM 0 H GLN A 49 -5.255 10.459 5.706 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.395 8.518 7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.634 11.303 7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.637 10.367 8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.148 10.230 8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.115 11.099 7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.762 12.261 9.422 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.654 13.656 10.038 1.00 0.00 H new ATOM 742 N ASP A 50 -8.225 8.949 6.113 1.00 0.00 N ATOM 743 CA ASP A 50 -9.579 8.424 5.960 1.00 0.00 C ATOM 744 C ASP A 50 -9.551 7.000 5.397 1.00 0.00 C ATOM 745 O ASP A 50 -10.293 6.129 5.853 1.00 0.00 O ATOM 746 CB ASP A 50 -10.382 9.344 5.045 1.00 0.00 C ATOM 747 CG ASP A 50 -11.872 9.037 5.156 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.210 8.078 5.830 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.652 9.763 4.563 1.00 0.00 O ATOM 0 H ASP A 50 -7.922 9.568 5.361 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.055 8.387 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.198 10.384 5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.054 9.217 4.013 1.00 0.00 H new ATOM 754 N MET A 51 -8.694 6.771 4.400 1.00 0.00 N ATOM 755 CA MET A 51 -8.583 5.450 3.787 1.00 0.00 C ATOM 756 C MET A 51 -8.118 4.421 4.810 1.00 0.00 C ATOM 757 O MET A 51 -8.676 3.330 4.903 1.00 0.00 O ATOM 758 CB MET A 51 -7.597 5.499 2.616 1.00 0.00 C ATOM 759 CG MET A 51 -8.116 6.460 1.541 1.00 0.00 C ATOM 760 SD MET A 51 -9.626 5.782 0.806 1.00 0.00 S ATOM 761 CE MET A 51 -9.973 7.153 -0.324 1.00 0.00 C ATOM 0 H MET A 51 -8.073 7.477 4.004 1.00 0.00 H new ATOM 0 HA MET A 51 -9.566 5.156 3.419 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.618 5.825 2.966 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.469 4.502 2.194 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.319 7.437 1.979 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.358 6.606 0.772 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.881 6.939 -0.888 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.109 8.071 0.248 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.138 7.276 -1.014 1.00 0.00 H new ATOM 771 N ILE A 52 -7.099 4.783 5.587 1.00 0.00 N ATOM 772 CA ILE A 52 -6.589 3.881 6.608 1.00 0.00 C ATOM 773 C ILE A 52 -7.646 3.679 7.695 1.00 0.00 C ATOM 774 O ILE A 52 -7.895 2.558 8.133 1.00 0.00 O ATOM 775 CB ILE A 52 -5.281 4.442 7.210 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.131 4.187 6.223 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.979 3.758 8.557 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.819 4.725 6.793 1.00 0.00 C ATOM 0 H ILE A 52 -6.619 5.681 5.529 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.367 2.914 6.156 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.389 5.513 7.383 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.040 3.119 6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.347 4.669 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.055 4.162 8.971 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.799 3.943 9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.869 2.685 8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.011 4.539 6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.910 5.797 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.599 4.223 7.735 1.00 0.00 H new ATOM 790 N ASN A 53 -8.261 4.777 8.119 1.00 0.00 N ATOM 791 CA ASN A 53 -9.284 4.726 9.158 1.00 0.00 C ATOM 792 C ASN A 53 -10.457 3.854 8.719 1.00 0.00 C ATOM 793 O ASN A 53 -11.041 3.134 9.530 1.00 0.00 O ATOM 794 CB ASN A 53 -9.774 6.150 9.469 1.00 0.00 C ATOM 795 CG ASN A 53 -8.752 6.896 10.330 1.00 0.00 C ATOM 796 OD1 ASN A 53 -8.670 8.124 10.267 1.00 0.00 O ATOM 797 ND2 ASN A 53 -7.971 6.232 11.139 1.00 0.00 N ATOM 0 H ASN A 53 -8.070 5.712 7.760 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.849 4.287 10.056 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.940 6.694 8.539 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.731 6.106 9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.294 6.730 11.718 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.038 5.216 11.192 1.00 0.00 H new ATOM 804 N GLU A 54 -10.802 3.928 7.438 1.00 0.00 N ATOM 805 CA GLU A 54 -11.912 3.144 6.909 1.00 0.00 C ATOM 806 C GLU A 54 -11.625 1.644 7.008 1.00 0.00 C ATOM 807 O GLU A 54 -12.519 0.858 7.324 1.00 0.00 O ATOM 808 CB GLU A 54 -12.165 3.519 5.443 1.00 0.00 C ATOM 809 CG GLU A 54 -13.405 2.779 4.927 1.00 0.00 C ATOM 810 CD GLU A 54 -13.717 3.190 3.488 1.00 0.00 C ATOM 811 OE1 GLU A 54 -12.860 3.794 2.864 1.00 0.00 O ATOM 812 OE2 GLU A 54 -14.809 2.894 3.033 1.00 0.00 O ATOM 0 H GLU A 54 -10.333 4.518 6.751 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.797 3.368 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.308 4.596 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.297 3.261 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.239 1.703 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.259 2.999 5.567 1.00 0.00 H new ATOM 819 N VAL A 55 -10.380 1.248 6.728 1.00 0.00 N ATOM 820 CA VAL A 55 -10.007 -0.171 6.778 1.00 0.00 C ATOM 821 C VAL A 55 -9.323 -0.529 8.095 1.00 0.00 C ATOM 822 O VAL A 55 -9.891 -1.278 8.888 1.00 0.00 O ATOM 823 CB VAL A 55 -9.086 -0.514 5.597 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.855 -0.303 4.290 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.829 0.386 5.610 1.00 0.00 C ATOM 0 H VAL A 55 -9.622 1.879 6.468 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.923 -0.758 6.709 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.768 -1.553 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.210 -0.544 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.731 -0.952 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.173 0.737 4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.189 0.129 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.129 1.431 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.282 0.234 6.540 1.00 0.00 H new ATOM 835 N ASP A 56 -8.115 0.002 8.328 1.00 0.00 N ATOM 836 CA ASP A 56 -7.367 -0.284 9.562 1.00 0.00 C ATOM 837 C ASP A 56 -7.689 -1.688 10.091 1.00 0.00 C ATOM 838 O ASP A 56 -7.788 -2.638 9.313 1.00 0.00 O ATOM 839 CB ASP A 56 -7.702 0.761 10.627 1.00 0.00 C ATOM 840 CG ASP A 56 -9.194 0.731 10.944 1.00 0.00 C ATOM 841 OD1 ASP A 56 -9.977 1.047 10.062 1.00 0.00 O ATOM 842 OD2 ASP A 56 -9.532 0.398 12.067 1.00 0.00 O ATOM 0 H ASP A 56 -7.636 0.629 7.682 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.302 -0.242 9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.127 0.566 11.532 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.417 1.753 10.276 1.00 0.00 H new ATOM 847 N ALA A 57 -7.858 -1.812 11.406 1.00 0.00 N ATOM 848 CA ALA A 57 -8.178 -3.102 12.006 1.00 0.00 C ATOM 849 C ALA A 57 -8.485 -2.946 13.498 1.00 0.00 C ATOM 850 O ALA A 57 -9.633 -3.070 13.919 1.00 0.00 O ATOM 851 CB ALA A 57 -7.010 -4.065 11.806 1.00 0.00 C ATOM 0 H ALA A 57 -7.779 -1.042 12.070 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.065 -3.505 11.517 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.252 -5.028 12.255 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.826 -4.198 10.740 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.117 -3.657 12.280 1.00 0.00 H new ATOM 857 N ASP A 58 -7.450 -2.672 14.296 1.00 0.00 N ATOM 858 CA ASP A 58 -7.629 -2.506 15.745 1.00 0.00 C ATOM 859 C ASP A 58 -8.002 -1.065 16.091 1.00 0.00 C ATOM 860 O ASP A 58 -8.235 -0.741 17.256 1.00 0.00 O ATOM 861 CB ASP A 58 -6.342 -2.880 16.484 1.00 0.00 C ATOM 862 CG ASP A 58 -6.092 -4.381 16.386 1.00 0.00 C ATOM 863 OD1 ASP A 58 -6.967 -5.080 15.897 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.029 -4.814 16.802 1.00 0.00 O ATOM 0 H ASP A 58 -6.490 -2.561 13.971 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.439 -3.166 16.057 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.499 -2.336 16.058 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.417 -2.585 17.531 1.00 0.00 H new ATOM 869 N GLY A 59 -8.034 -0.200 15.081 1.00 0.00 N ATOM 870 CA GLY A 59 -8.348 1.213 15.297 1.00 0.00 C ATOM 871 C GLY A 59 -7.098 1.977 15.729 1.00 0.00 C ATOM 872 O GLY A 59 -7.166 3.148 16.100 1.00 0.00 O ATOM 0 H GLY A 59 -7.848 -0.449 14.109 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.749 1.647 14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.121 1.308 16.059 1.00 0.00 H new ATOM 876 N ASN A 60 -5.957 1.293 15.670 1.00 0.00 N ATOM 877 CA ASN A 60 -4.680 1.879 16.047 1.00 0.00 C ATOM 878 C ASN A 60 -4.234 2.895 15.004 1.00 0.00 C ATOM 879 O ASN A 60 -3.348 3.711 15.253 1.00 0.00 O ATOM 880 CB ASN A 60 -3.641 0.757 16.168 1.00 0.00 C ATOM 881 CG ASN A 60 -2.362 1.274 16.817 1.00 0.00 C ATOM 882 OD1 ASN A 60 -2.417 2.118 17.713 1.00 0.00 O ATOM 883 ND2 ASN A 60 -1.208 0.807 16.420 1.00 0.00 N ATOM 0 H ASN A 60 -5.895 0.323 15.361 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.782 2.395 17.002 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.050 -0.062 16.760 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.416 0.355 15.180 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.347 1.141 16.852 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.169 0.108 15.678 1.00 0.00 H new ATOM 890 N GLY A 61 -4.856 2.834 13.830 1.00 0.00 N ATOM 891 CA GLY A 61 -4.523 3.749 12.748 1.00 0.00 C ATOM 892 C GLY A 61 -3.320 3.248 11.957 1.00 0.00 C ATOM 893 O GLY A 61 -2.687 4.009 11.223 1.00 0.00 O ATOM 0 H GLY A 61 -5.590 2.162 13.606 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.380 3.858 12.083 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.308 4.737 13.156 1.00 0.00 H new ATOM 897 N THR A 62 -3.009 1.961 12.108 1.00 0.00 N ATOM 898 CA THR A 62 -1.875 1.359 11.408 1.00 0.00 C ATOM 899 C THR A 62 -2.308 0.111 10.649 1.00 0.00 C ATOM 900 O THR A 62 -3.279 -0.551 11.018 1.00 0.00 O ATOM 901 CB THR A 62 -0.789 0.993 12.414 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.263 -0.032 13.280 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.410 2.222 13.237 1.00 0.00 C ATOM 0 H THR A 62 -3.525 1.317 12.707 1.00 0.00 H new ATOM 0 HA THR A 62 -1.486 2.083 10.692 1.00 0.00 H new ATOM 0 HB THR A 62 0.089 0.635 11.876 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.519 -0.377 13.816 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.366 1.955 13.954 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.038 3.003 12.574 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.287 2.587 13.771 1.00 0.00 H new ATOM 911 N ILE A 63 -1.569 -0.207 9.581 1.00 0.00 N ATOM 912 CA ILE A 63 -1.874 -1.387 8.757 1.00 0.00 C ATOM 913 C ILE A 63 -0.838 -2.478 8.983 1.00 0.00 C ATOM 914 O ILE A 63 0.368 -2.229 8.910 1.00 0.00 O ATOM 915 CB ILE A 63 -1.885 -1.013 7.274 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.698 0.268 7.068 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.502 -2.147 6.456 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.093 0.120 7.688 1.00 0.00 C ATOM 0 H ILE A 63 -0.761 0.330 9.266 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.858 -1.755 9.048 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.860 -0.847 6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.179 1.113 7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.787 0.483 6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.507 -1.874 5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.915 -3.055 6.593 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.525 -2.322 6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.659 1.039 7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.615 -0.712 7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.998 -0.072 8.757 1.00 0.00 H new ATOM 930 N ASP A 64 -1.318 -3.684 9.275 1.00 0.00 N ATOM 931 CA ASP A 64 -0.436 -4.819 9.527 1.00 0.00 C ATOM 932 C ASP A 64 -0.267 -5.671 8.264 1.00 0.00 C ATOM 933 O ASP A 64 -0.888 -5.419 7.233 1.00 0.00 O ATOM 934 CB ASP A 64 -1.006 -5.671 10.664 1.00 0.00 C ATOM 935 CG ASP A 64 -1.179 -4.818 11.916 1.00 0.00 C ATOM 936 OD1 ASP A 64 -0.409 -3.887 12.086 1.00 0.00 O ATOM 937 OD2 ASP A 64 -2.076 -5.110 12.691 1.00 0.00 O ATOM 0 H ASP A 64 -2.313 -3.900 9.343 1.00 0.00 H new ATOM 0 HA ASP A 64 0.545 -4.440 9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.965 -6.095 10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.339 -6.507 10.873 1.00 0.00 H new ATOM 942 N PHE A 65 0.589 -6.674 8.374 1.00 0.00 N ATOM 943 CA PHE A 65 0.887 -7.591 7.266 1.00 0.00 C ATOM 944 C PHE A 65 -0.401 -8.094 6.579 1.00 0.00 C ATOM 945 O PHE A 65 -0.559 -7.961 5.353 1.00 0.00 O ATOM 946 CB PHE A 65 1.739 -8.798 7.780 1.00 0.00 C ATOM 947 CG PHE A 65 2.189 -8.543 9.209 1.00 0.00 C ATOM 948 CD1 PHE A 65 2.880 -7.362 9.522 1.00 0.00 C ATOM 949 CD2 PHE A 65 1.918 -9.477 10.220 1.00 0.00 C ATOM 950 CE1 PHE A 65 3.284 -7.116 10.837 1.00 0.00 C ATOM 951 CE2 PHE A 65 2.326 -9.224 11.533 1.00 0.00 C ATOM 952 CZ PHE A 65 3.008 -8.045 11.840 1.00 0.00 C ATOM 0 H PHE A 65 1.101 -6.882 9.231 1.00 0.00 H new ATOM 0 HA PHE A 65 1.461 -7.039 6.522 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.152 -9.715 7.733 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.607 -8.942 7.136 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.100 -6.643 8.746 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.394 -10.392 9.984 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.811 -6.204 11.077 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.113 -9.942 12.311 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.322 -7.852 12.855 1.00 0.00 H new ATOM 962 N PRO A 66 -1.306 -8.690 7.330 1.00 0.00 N ATOM 963 CA PRO A 66 -2.564 -9.251 6.761 1.00 0.00 C ATOM 964 C PRO A 66 -3.531 -8.167 6.288 1.00 0.00 C ATOM 965 O PRO A 66 -4.157 -8.296 5.236 1.00 0.00 O ATOM 966 CB PRO A 66 -3.164 -10.065 7.925 1.00 0.00 C ATOM 967 CG PRO A 66 -2.596 -9.463 9.174 1.00 0.00 C ATOM 968 CD PRO A 66 -1.243 -8.875 8.797 1.00 0.00 C ATOM 0 HA PRO A 66 -2.373 -9.851 5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.253 -10.008 7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.900 -11.119 7.843 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.258 -8.691 9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.487 -10.218 9.953 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.067 -7.928 9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.429 -9.544 9.077 1.00 0.00 H new ATOM 976 N GLU A 67 -3.652 -7.112 7.077 1.00 0.00 N ATOM 977 CA GLU A 67 -4.558 -6.023 6.747 1.00 0.00 C ATOM 978 C GLU A 67 -4.197 -5.426 5.395 1.00 0.00 C ATOM 979 O GLU A 67 -5.072 -5.162 4.572 1.00 0.00 O ATOM 980 CB GLU A 67 -4.462 -4.941 7.816 1.00 0.00 C ATOM 981 CG GLU A 67 -4.771 -5.554 9.179 1.00 0.00 C ATOM 982 CD GLU A 67 -4.446 -4.552 10.279 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.287 -3.386 9.963 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.339 -4.972 11.420 1.00 0.00 O ATOM 0 H GLU A 67 -3.136 -6.986 7.948 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.575 -6.413 6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.464 -4.503 7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.163 -4.135 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.822 -5.837 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.188 -6.464 9.319 1.00 0.00 H new ATOM 991 N PHE A 68 -2.900 -5.221 5.176 1.00 0.00 N ATOM 992 CA PHE A 68 -2.431 -4.663 3.915 1.00 0.00 C ATOM 993 C PHE A 68 -2.807 -5.592 2.760 1.00 0.00 C ATOM 994 O PHE A 68 -3.376 -5.166 1.749 1.00 0.00 O ATOM 995 CB PHE A 68 -0.914 -4.486 3.959 1.00 0.00 C ATOM 996 CG PHE A 68 -0.416 -4.109 2.585 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.214 -5.106 1.628 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.175 -2.770 2.266 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.239 -4.771 0.351 1.00 0.00 C ATOM 1000 CE2 PHE A 68 0.276 -2.432 0.985 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.484 -3.437 0.027 1.00 0.00 C ATOM 0 H PHE A 68 -2.163 -5.431 5.850 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.902 -3.692 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.647 -3.713 4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.438 -5.409 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.409 -6.139 1.877 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.336 -1.999 3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.400 -5.544 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.464 -1.399 0.734 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.834 -3.177 -0.961 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.488 -6.869 2.913 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.807 -7.833 1.875 1.00 0.00 C ATOM 1013 C LEU A 69 -4.317 -7.921 1.656 1.00 0.00 C ATOM 1014 O LEU A 69 -4.799 -7.833 0.533 1.00 0.00 O ATOM 1015 CB LEU A 69 -2.252 -9.199 2.291 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.784 -10.323 1.353 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -1.657 -11.306 1.036 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.928 -11.091 2.039 1.00 0.00 C ATOM 0 H LEU A 69 -2.017 -7.255 3.731 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.355 -7.515 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.163 -9.179 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.537 -9.414 3.321 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.151 -9.864 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.033 -12.091 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.842 -10.778 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.291 -11.751 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.291 -11.874 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.562 -11.541 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.742 -10.403 2.268 1.00 0.00 H new ATOM 1030 N THR A 70 -5.064 -8.115 2.729 1.00 0.00 N ATOM 1031 CA THR A 70 -6.515 -8.253 2.622 1.00 0.00 C ATOM 1032 C THR A 70 -7.143 -7.047 1.936 1.00 0.00 C ATOM 1033 O THR A 70 -7.948 -7.202 1.018 1.00 0.00 O ATOM 1034 CB THR A 70 -7.112 -8.396 4.022 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.617 -9.579 4.633 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.639 -8.466 3.938 1.00 0.00 C ATOM 0 H THR A 70 -4.698 -8.181 3.679 1.00 0.00 H new ATOM 0 HA THR A 70 -6.727 -9.137 2.021 1.00 0.00 H new ATOM 0 HB THR A 70 -6.827 -7.530 4.619 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.707 -9.421 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.054 -8.568 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.020 -7.554 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.931 -9.326 3.335 1.00 0.00 H new ATOM 1205 N ALA B 48 -10.779 3.845 -2.606 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.754 3.251 -1.750 1.00 0.00 C ATOM 1207 C ALA B 48 -8.910 2.207 -2.495 1.00 0.00 C ATOM 1208 O ALA B 48 -7.682 2.203 -2.387 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.435 2.600 -0.541 1.00 0.00 C ATOM 0 HA ALA B 48 -9.078 4.044 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.679 2.153 0.105 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.988 3.356 0.016 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.123 1.827 -0.883 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.569 1.320 -3.239 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.860 0.273 -3.983 1.00 0.00 C ATOM 1217 C ALA B 49 -7.979 0.874 -5.077 1.00 0.00 C ATOM 1218 O ALA B 49 -6.847 0.435 -5.289 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.876 -0.682 -4.612 1.00 0.00 C ATOM 0 H ALA B 49 -10.583 1.302 -3.344 1.00 0.00 H new ATOM 0 HA ALA B 49 -8.219 -0.269 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -9.350 -1.460 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.480 -1.139 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -10.523 -0.128 -5.292 1.00 0.00 H new ATOM 1225 N LEU B 50 -8.506 1.881 -5.765 1.00 0.00 N ATOM 1226 CA LEU B 50 -7.766 2.543 -6.832 1.00 0.00 C ATOM 1227 C LEU B 50 -6.520 3.219 -6.271 1.00 0.00 C ATOM 1228 O LEU B 50 -5.442 3.150 -6.859 1.00 0.00 O ATOM 1229 CB LEU B 50 -8.666 3.584 -7.508 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.879 4.383 -8.558 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -7.250 3.425 -9.581 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -8.828 5.346 -9.278 1.00 0.00 C ATOM 0 H LEU B 50 -9.441 2.256 -5.603 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.457 1.799 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.513 3.087 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -9.073 4.262 -6.758 1.00 0.00 H new ATOM 0 HG LEU B 50 -7.088 4.947 -8.063 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -6.694 3.999 -10.322 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -6.574 2.740 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -8.036 2.856 -10.078 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.272 5.915 -10.024 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.619 4.779 -9.769 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -9.269 6.031 -8.554 1.00 0.00 H new ATOM 1244 N SER B 51 -6.688 3.879 -5.133 1.00 0.00 N ATOM 1245 CA SER B 51 -5.582 4.573 -4.490 1.00 0.00 C ATOM 1246 C SER B 51 -4.474 3.592 -4.140 1.00 0.00 C ATOM 1247 O SER B 51 -3.297 3.843 -4.400 1.00 0.00 O ATOM 1248 CB SER B 51 -6.080 5.248 -3.215 1.00 0.00 C ATOM 1249 OG SER B 51 -4.967 5.616 -2.417 1.00 0.00 O ATOM 0 H SER B 51 -7.577 3.948 -4.638 1.00 0.00 H new ATOM 0 HA SER B 51 -5.188 5.322 -5.177 1.00 0.00 H new ATOM 0 HB2 SER B 51 -6.672 6.129 -3.463 1.00 0.00 H new ATOM 0 HB3 SER B 51 -6.732 4.572 -2.662 1.00 0.00 H new ATOM 0 HG SER B 51 -5.282 6.051 -1.597 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.867 2.472 -3.553 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.915 1.445 -3.169 1.00 0.00 C ATOM 1257 C TRP B 52 -3.283 0.812 -4.411 1.00 0.00 C ATOM 1258 O TRP B 52 -2.068 0.637 -4.475 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.635 0.372 -2.333 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.744 0.810 -0.900 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.904 0.989 -0.225 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.673 1.123 0.042 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.614 1.385 1.067 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -4.254 1.482 1.280 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -2.268 1.128 -0.058 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.473 1.831 2.384 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.478 1.480 1.048 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -2.077 1.831 2.267 1.00 0.00 C ATOM 0 H TRP B 52 -5.838 2.253 -3.333 1.00 0.00 H new ATOM 0 HA TRP B 52 -3.121 1.896 -2.574 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.629 0.191 -2.741 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -4.090 -0.570 -2.391 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.895 0.846 -0.630 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.320 1.582 1.777 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.795 0.859 -0.991 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.941 2.099 3.320 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.402 1.481 0.960 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.463 2.101 3.114 1.00 0.00 H new ATOM 1279 N GLN B 53 -4.117 0.468 -5.387 1.00 0.00 N ATOM 1280 CA GLN B 53 -3.628 -0.155 -6.616 1.00 0.00 C ATOM 1281 C GLN B 53 -2.658 0.764 -7.361 1.00 0.00 C ATOM 1282 O GLN B 53 -1.609 0.320 -7.826 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.811 -0.500 -7.528 1.00 0.00 C ATOM 1284 CG GLN B 53 -4.301 -1.216 -8.782 1.00 0.00 C ATOM 1285 CD GLN B 53 -5.475 -1.721 -9.617 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -6.310 -0.930 -10.060 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -5.587 -3.001 -9.863 1.00 0.00 N ATOM 0 H GLN B 53 -5.127 0.608 -5.354 1.00 0.00 H new ATOM 0 HA GLN B 53 -3.093 -1.064 -6.342 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.519 -1.136 -6.997 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.345 0.408 -7.807 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -3.690 -0.535 -9.375 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -3.662 -2.052 -8.497 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.895 -3.654 -9.495 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -6.367 -3.346 -10.423 1.00 0.00 H new ATOM 1296 N ALA B 54 -3.013 2.042 -7.478 1.00 0.00 N ATOM 1297 CA ALA B 54 -2.159 3.004 -8.178 1.00 0.00 C ATOM 1298 C ALA B 54 -0.831 3.200 -7.448 1.00 0.00 C ATOM 1299 O ALA B 54 0.221 3.323 -8.079 1.00 0.00 O ATOM 1300 CB ALA B 54 -2.882 4.347 -8.299 1.00 0.00 C ATOM 0 H ALA B 54 -3.876 2.434 -7.102 1.00 0.00 H new ATOM 0 HA ALA B 54 -1.948 2.608 -9.171 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -2.242 5.059 -8.820 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -3.807 4.213 -8.859 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -3.112 4.727 -7.304 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.883 3.236 -6.119 1.00 0.00 N ATOM 1307 CA ALA B 55 0.324 3.424 -5.317 1.00 0.00 C ATOM 1308 C ALA B 55 1.268 2.232 -5.467 1.00 0.00 C ATOM 1309 O ALA B 55 2.481 2.400 -5.605 1.00 0.00 O ATOM 1310 CB ALA B 55 -0.058 3.594 -3.846 1.00 0.00 C ATOM 0 H ALA B 55 -1.742 3.138 -5.577 1.00 0.00 H new ATOM 0 HA ALA B 55 0.837 4.318 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA B 55 0.844 3.734 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.704 4.465 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -0.586 2.705 -3.502 1.00 0.00 H new ATOM 1316 N ILE B 56 0.700 1.029 -5.444 1.00 0.00 N ATOM 1317 CA ILE B 56 1.491 -0.191 -5.581 1.00 0.00 C ATOM 1318 C ILE B 56 2.156 -0.250 -6.955 1.00 0.00 C ATOM 1319 O ILE B 56 3.332 -0.590 -7.076 1.00 0.00 O ATOM 1320 CB ILE B 56 0.583 -1.412 -5.385 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.124 -1.478 -3.924 1.00 0.00 C ATOM 1322 CG2 ILE B 56 1.344 -2.693 -5.737 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -1.026 -2.479 -3.790 1.00 0.00 C ATOM 0 H ILE B 56 -0.302 0.873 -5.332 1.00 0.00 H new ATOM 0 HA ILE B 56 2.273 -0.192 -4.822 1.00 0.00 H new ATOM 0 HB ILE B 56 -0.284 -1.320 -6.039 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.955 -1.776 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.198 -0.492 -3.589 1.00 0.00 H new ATOM 0 HG21 ILE B 56 0.692 -3.555 -5.595 1.00 0.00 H new ATOM 0 HG22 ILE B 56 1.667 -2.650 -6.777 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.216 -2.788 -5.090 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.350 -2.524 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.860 -2.162 -4.417 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.688 -3.466 -4.108 1.00 0.00 H new ATOM 1335 N ASP B 57 1.388 0.084 -7.986 1.00 0.00 N ATOM 1336 CA ASP B 57 1.899 0.066 -9.350 1.00 0.00 C ATOM 1337 C ASP B 57 3.048 1.059 -9.513 1.00 0.00 C ATOM 1338 O ASP B 57 4.105 0.722 -10.050 1.00 0.00 O ATOM 1339 CB ASP B 57 0.769 0.415 -10.321 1.00 0.00 C ATOM 1340 CG ASP B 57 1.293 0.447 -11.751 1.00 0.00 C ATOM 1341 OD1 ASP B 57 1.724 -0.590 -12.227 1.00 0.00 O ATOM 1342 OD2 ASP B 57 1.254 1.509 -12.352 1.00 0.00 O ATOM 0 H ASP B 57 0.412 0.370 -7.903 1.00 0.00 H new ATOM 0 HA ASP B 57 2.277 -0.933 -9.569 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -0.032 -0.319 -10.236 1.00 0.00 H new ATOM 0 HB3 ASP B 57 0.343 1.384 -10.061 1.00 0.00 H new ATOM 1347 N ALA B 58 2.836 2.284 -9.041 1.00 0.00 N ATOM 1348 CA ALA B 58 3.862 3.315 -9.138 1.00 0.00 C ATOM 1349 C ALA B 58 5.083 2.936 -8.301 1.00 0.00 C ATOM 1350 O ALA B 58 6.222 3.160 -8.714 1.00 0.00 O ATOM 1351 CB ALA B 58 3.295 4.653 -8.661 1.00 0.00 C ATOM 0 H ALA B 58 1.971 2.584 -8.592 1.00 0.00 H new ATOM 0 HA ALA B 58 4.172 3.405 -10.179 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.065 5.421 -8.735 1.00 0.00 H new ATOM 0 HB2 ALA B 58 2.444 4.930 -9.284 1.00 0.00 H new ATOM 0 HB3 ALA B 58 2.971 4.562 -7.624 1.00 0.00 H new ATOM 1357 N ALA B 59 4.840 2.348 -7.133 1.00 0.00 N ATOM 1358 CA ALA B 59 5.931 1.932 -6.255 1.00 0.00 C ATOM 1359 C ALA B 59 6.781 0.873 -6.949 1.00 0.00 C ATOM 1360 O ALA B 59 8.006 0.872 -6.840 1.00 0.00 O ATOM 1361 CB ALA B 59 5.357 1.370 -4.950 1.00 0.00 C ATOM 0 H ALA B 59 3.906 2.150 -6.774 1.00 0.00 H new ATOM 0 HA ALA B 59 6.558 2.795 -6.028 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.173 1.060 -4.297 1.00 0.00 H new ATOM 0 HB2 ALA B 59 4.765 2.138 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA B 59 4.724 0.511 -5.171 1.00 0.00 H new ATOM 1367 N ARG B 60 6.116 -0.020 -7.668 1.00 0.00 N ATOM 1368 CA ARG B 60 6.804 -1.079 -8.386 1.00 0.00 C ATOM 1369 C ARG B 60 7.716 -0.498 -9.466 1.00 0.00 C ATOM 1370 O ARG B 60 8.866 -0.912 -9.609 1.00 0.00 O ATOM 1371 CB ARG B 60 5.775 -2.002 -9.035 1.00 0.00 C ATOM 1372 CG ARG B 60 6.459 -3.296 -9.514 1.00 0.00 C ATOM 1373 CD ARG B 60 6.465 -4.327 -8.383 1.00 0.00 C ATOM 1374 NE ARG B 60 7.148 -5.531 -8.818 1.00 0.00 N ATOM 1375 CZ ARG B 60 6.496 -6.524 -9.420 1.00 0.00 C ATOM 1376 NH1 ARG B 60 5.194 -6.479 -9.563 1.00 0.00 N ATOM 1377 NH2 ARG B 60 7.164 -7.551 -9.858 1.00 0.00 N ATOM 0 H ARG B 60 5.101 -0.031 -7.769 1.00 0.00 H new ATOM 0 HA ARG B 60 7.415 -1.639 -7.678 1.00 0.00 H new ATOM 0 HB2 ARG B 60 4.986 -2.240 -8.321 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.301 -1.498 -9.877 1.00 0.00 H new ATOM 0 HG2 ARG B 60 5.934 -3.697 -10.381 1.00 0.00 H new ATOM 0 HG3 ARG B 60 7.480 -3.083 -9.830 1.00 0.00 H new ATOM 0 HD2 ARG B 60 6.961 -3.914 -7.505 1.00 0.00 H new ATOM 0 HD3 ARG B 60 5.442 -4.564 -8.089 1.00 0.00 H new ATOM 0 HE ARG B 60 8.152 -5.619 -8.659 1.00 0.00 H new ATOM 0 HH11 ARG B 60 4.670 -5.678 -9.212 1.00 0.00 H new ATOM 0 HH12 ARG B 60 4.705 -7.245 -10.026 1.00 0.00 H new ATOM 0 HH21 ARG B 60 8.176 -7.590 -9.739 1.00 0.00 H new ATOM 0 HH22 ARG B 60 6.675 -8.318 -10.321 1.00 0.00 H new ATOM 1391 N GLN B 61 7.193 0.465 -10.223 1.00 0.00 N ATOM 1392 CA GLN B 61 7.973 1.096 -11.283 1.00 0.00 C ATOM 1393 C GLN B 61 9.145 1.859 -10.676 1.00 0.00 C ATOM 1394 O GLN B 61 10.251 1.856 -11.218 1.00 0.00 O ATOM 1395 CB GLN B 61 7.089 2.056 -12.089 1.00 0.00 C ATOM 1396 CG GLN B 61 7.857 2.564 -13.313 1.00 0.00 C ATOM 1397 CD GLN B 61 6.992 3.533 -14.115 1.00 0.00 C ATOM 1398 OE1 GLN B 61 6.357 4.422 -13.543 1.00 0.00 O ATOM 1399 NE2 GLN B 61 6.925 3.412 -15.416 1.00 0.00 N ATOM 0 H GLN B 61 6.243 0.822 -10.123 1.00 0.00 H new ATOM 0 HA GLN B 61 8.354 0.323 -11.950 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.178 1.548 -12.405 1.00 0.00 H new ATOM 0 HB3 GLN B 61 6.785 2.896 -11.465 1.00 0.00 H new ATOM 0 HG2 GLN B 61 8.774 3.061 -12.995 1.00 0.00 H new ATOM 0 HG3 GLN B 61 8.152 1.723 -13.941 1.00 0.00 H new ATOM 0 HE21 GLN B 61 7.451 2.676 -15.888 1.00 0.00 H new ATOM 0 HE22 GLN B 61 6.347 4.054 -15.959 1.00 0.00 H new ATOM 1408 N ALA B 62 8.893 2.506 -9.541 1.00 0.00 N ATOM 1409 CA ALA B 62 9.930 3.266 -8.855 1.00 0.00 C ATOM 1410 C ALA B 62 11.049 2.341 -8.386 1.00 0.00 C ATOM 1411 O ALA B 62 12.230 2.669 -8.504 1.00 0.00 O ATOM 1412 CB ALA B 62 9.325 3.996 -7.654 1.00 0.00 C ATOM 0 H ALA B 62 7.983 2.518 -9.080 1.00 0.00 H new ATOM 0 HA ALA B 62 10.348 3.994 -9.550 1.00 0.00 H new ATOM 0 HB1 ALA B 62 10.103 4.563 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA B 62 8.546 4.676 -7.997 1.00 0.00 H new ATOM 0 HB3 ALA B 62 8.895 3.269 -6.965 1.00 0.00 H new ATOM 1418 N LYS B 63 10.669 1.178 -7.862 1.00 0.00 N ATOM 1419 CA LYS B 63 11.647 0.204 -7.389 1.00 0.00 C ATOM 1420 C LYS B 63 12.520 -0.284 -8.540 1.00 0.00 C ATOM 1421 O LYS B 63 13.739 -0.392 -8.404 1.00 0.00 O ATOM 1422 CB LYS B 63 10.926 -0.984 -6.743 1.00 0.00 C ATOM 1423 CG LYS B 63 11.954 -1.968 -6.180 1.00 0.00 C ATOM 1424 CD LYS B 63 11.237 -3.054 -5.374 1.00 0.00 C ATOM 1425 CE LYS B 63 12.269 -4.027 -4.799 1.00 0.00 C ATOM 1426 NZ LYS B 63 12.834 -4.854 -5.902 1.00 0.00 N ATOM 0 H LYS B 63 9.697 0.889 -7.755 1.00 0.00 H new ATOM 0 HA LYS B 63 12.286 0.685 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.270 -0.634 -5.946 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.296 -1.483 -7.479 1.00 0.00 H new ATOM 0 HG2 LYS B 63 12.523 -2.420 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS B 63 12.667 -1.441 -5.546 1.00 0.00 H new ATOM 0 HD2 LYS B 63 10.659 -2.602 -4.568 1.00 0.00 H new ATOM 0 HD3 LYS B 63 10.532 -3.589 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.065 -3.476 -4.297 1.00 0.00 H new ATOM 0 HE3 LYS B 63 11.804 -4.668 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 13.334 -5.673 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 12.064 -5.186 -6.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 13.500 -4.281 -6.459 1.00 0.00 H new ATOM 1440 N LEU B 64 11.887 -0.580 -9.670 1.00 0.00 N ATOM 1441 CA LEU B 64 12.614 -1.061 -10.837 1.00 0.00 C ATOM 1442 C LEU B 64 13.614 -0.018 -11.332 1.00 0.00 C ATOM 1443 O LEU B 64 14.754 -0.344 -11.663 1.00 0.00 O ATOM 1444 CB LEU B 64 11.620 -1.407 -11.958 1.00 0.00 C ATOM 1445 CG LEU B 64 12.373 -1.802 -13.239 1.00 0.00 C ATOM 1446 CD1 LEU B 64 13.345 -2.953 -12.943 1.00 0.00 C ATOM 1447 CD2 LEU B 64 11.365 -2.250 -14.302 1.00 0.00 C ATOM 0 H LEU B 64 10.879 -0.496 -9.802 1.00 0.00 H new ATOM 0 HA LEU B 64 13.170 -1.954 -10.552 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.975 -2.226 -11.641 1.00 0.00 H new ATOM 0 HB3 LEU B 64 10.974 -0.552 -12.157 1.00 0.00 H new ATOM 0 HG LEU B 64 12.936 -0.943 -13.602 1.00 0.00 H new ATOM 0 HD11 LEU B 64 13.874 -3.226 -13.856 1.00 0.00 H new ATOM 0 HD12 LEU B 64 14.064 -2.637 -12.188 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.788 -3.814 -12.575 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.896 -2.531 -15.212 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.802 -3.107 -13.931 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.679 -1.432 -14.520 1.00 0.00 H new ATOM 1459 N MET B 65 13.177 1.235 -11.391 1.00 0.00 N ATOM 1460 CA MET B 65 14.039 2.318 -11.856 1.00 0.00 C ATOM 1461 C MET B 65 15.176 2.578 -10.869 1.00 0.00 C ATOM 1462 O MET B 65 16.298 2.888 -11.270 1.00 0.00 O ATOM 1463 CB MET B 65 13.210 3.590 -12.053 1.00 0.00 C ATOM 1464 CG MET B 65 12.219 3.391 -13.207 1.00 0.00 C ATOM 1465 SD MET B 65 13.118 3.195 -14.769 1.00 0.00 S ATOM 1466 CE MET B 65 13.803 4.868 -14.861 1.00 0.00 C ATOM 0 H MET B 65 12.236 1.526 -11.125 1.00 0.00 H new ATOM 0 HA MET B 65 14.480 2.023 -12.808 1.00 0.00 H new ATOM 0 HB2 MET B 65 12.671 3.830 -11.136 1.00 0.00 H new ATOM 0 HB3 MET B 65 13.867 4.433 -12.267 1.00 0.00 H new ATOM 0 HG2 MET B 65 11.602 2.512 -13.020 1.00 0.00 H new ATOM 0 HG3 MET B 65 11.545 4.246 -13.270 1.00 0.00 H new ATOM 0 HE1 MET B 65 13.992 5.127 -15.903 1.00 0.00 H new ATOM 0 HE2 MET B 65 13.093 5.576 -14.434 1.00 0.00 H new ATOM 0 HE3 MET B 65 14.738 4.910 -14.302 1.00 0.00 H new ATOM 1476 N GLY B 66 14.879 2.449 -9.578 1.00 0.00 N ATOM 1477 CA GLY B 66 15.888 2.665 -8.543 1.00 0.00 C ATOM 1478 C GLY B 66 16.075 4.152 -8.233 1.00 0.00 C ATOM 1479 O GLY B 66 17.027 4.532 -7.548 1.00 0.00 O ATOM 0 H GLY B 66 13.956 2.198 -9.225 1.00 0.00 H new ATOM 0 HA2 GLY B 66 15.595 2.138 -7.635 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.838 2.239 -8.867 1.00 0.00 H new