USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot -56:sc= -0.168 USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= -0.195 (180deg=-1.06) USER MOD Single : A 6 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.5) USER MOD Single : A 14 MET CE :methyl 157:sc= -0.0354 (180deg=-0.617) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0846 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 88:sc= 0.0196 USER MOD Single : A 26 MET CE :methyl 156:sc= -3.77! (180deg=-5.89!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 180:sc= -0.272 USER MOD Single : B 4 LYS NZ :NH3+ -157:sc= 0.616 (180deg=0.321) USER MOD Single : B 6 GLN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : B 14 MET CE :methyl -150:sc= 0 (180deg=-0.81) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0661 USER MOD Single : B 17 MET CE :methyl -124:sc= -0.0297 (180deg=-0.299) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 26 MET CE :methyl 166:sc= -3.05 (180deg=-3.84) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 0.221 -0.402 -11.235 1.00 0.00 N ATOM 32 CA THR A 3 -1.119 -0.056 -11.675 1.00 0.00 C ATOM 33 C THR A 3 -2.101 -0.131 -10.504 1.00 0.00 C ATOM 34 O THR A 3 -1.825 -0.783 -9.498 1.00 0.00 O ATOM 35 CB THR A 3 -1.489 -0.979 -12.838 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.142 -2.280 -12.372 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.592 -0.769 -14.059 1.00 0.00 C ATOM 0 HA THR A 3 -1.164 0.973 -12.031 1.00 0.00 H new ATOM 0 HB THR A 3 -2.529 -0.812 -13.118 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.200 -2.291 -12.103 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.897 -1.448 -14.855 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.684 0.261 -14.405 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.444 -0.970 -13.788 1.00 0.00 H new ATOM 45 N LYS A 4 -3.227 0.546 -10.673 1.00 0.00 N ATOM 46 CA LYS A 4 -4.252 0.563 -9.643 1.00 0.00 C ATOM 47 C LYS A 4 -4.651 -0.875 -9.303 1.00 0.00 C ATOM 48 O LYS A 4 -4.739 -1.237 -8.130 1.00 0.00 O ATOM 49 CB LYS A 4 -5.429 1.442 -10.072 1.00 0.00 C ATOM 50 CG LYS A 4 -5.145 2.917 -9.784 1.00 0.00 C ATOM 51 CD LYS A 4 -6.177 3.818 -10.465 1.00 0.00 C ATOM 52 CE LYS A 4 -5.682 4.277 -11.839 1.00 0.00 C ATOM 53 NZ LYS A 4 -5.896 3.215 -12.848 1.00 0.00 N ATOM 0 H LYS A 4 -3.452 1.087 -11.508 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.865 1.012 -8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.620 1.306 -11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.331 1.132 -9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.160 3.090 -8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.145 3.174 -10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.119 3.280 -10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.377 4.687 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.209 5.183 -12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.623 4.528 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.950 3.642 -13.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.104 2.541 -12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.785 2.715 -12.643 1.00 0.00 H new ATOM 67 N ASP A 5 -4.880 -1.655 -10.349 1.00 0.00 N ATOM 68 CA ASP A 5 -5.315 -3.030 -10.175 1.00 0.00 C ATOM 69 C ASP A 5 -4.244 -3.806 -9.405 1.00 0.00 C ATOM 70 O ASP A 5 -4.563 -4.603 -8.525 1.00 0.00 O ATOM 71 CB ASP A 5 -5.517 -3.719 -11.526 1.00 0.00 C ATOM 72 CG ASP A 5 -6.848 -3.412 -12.216 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.629 -2.638 -11.622 1.00 0.00 O ATOM 74 OD2 ASP A 5 -7.054 -3.959 -13.321 1.00 0.00 O ATOM 0 H ASP A 5 -4.772 -1.361 -11.320 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.259 -3.018 -9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.704 -3.427 -12.191 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.439 -4.797 -11.382 1.00 0.00 H new ATOM 79 N GLN A 6 -2.996 -3.544 -9.764 1.00 0.00 N ATOM 80 CA GLN A 6 -1.879 -4.247 -9.157 1.00 0.00 C ATOM 81 C GLN A 6 -1.903 -4.068 -7.637 1.00 0.00 C ATOM 82 O GLN A 6 -1.374 -4.901 -6.902 1.00 0.00 O ATOM 83 CB GLN A 6 -0.548 -3.773 -9.744 1.00 0.00 C ATOM 84 CG GLN A 6 -0.134 -4.640 -10.934 1.00 0.00 C ATOM 85 CD GLN A 6 0.432 -5.982 -10.464 1.00 0.00 C ATOM 86 OE1 GLN A 6 0.562 -6.250 -9.281 1.00 0.00 O ATOM 87 NE2 GLN A 6 0.758 -6.808 -11.454 1.00 0.00 N ATOM 0 H GLN A 6 -2.734 -2.854 -10.468 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.979 -5.309 -9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.635 -2.733 -10.060 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.225 -3.809 -8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.994 -4.811 -11.581 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.613 -4.115 -11.529 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.623 -6.520 -12.423 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.143 -7.729 -11.244 1.00 0.00 H new ATOM 96 N ILE A 7 -2.521 -2.977 -7.211 1.00 0.00 N ATOM 97 CA ILE A 7 -2.613 -2.674 -5.793 1.00 0.00 C ATOM 98 C ILE A 7 -3.794 -3.437 -5.189 1.00 0.00 C ATOM 99 O ILE A 7 -3.749 -3.837 -4.026 1.00 0.00 O ATOM 100 CB ILE A 7 -2.680 -1.162 -5.571 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.324 -0.507 -5.841 1.00 0.00 C ATOM 102 CG2 ILE A 7 -3.206 -0.835 -4.172 1.00 0.00 C ATOM 103 CD1 ILE A 7 -1.497 0.857 -6.513 1.00 0.00 C ATOM 0 H ILE A 7 -2.963 -2.291 -7.823 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.716 -3.010 -5.273 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.388 -0.744 -6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.781 -0.388 -4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.723 -1.156 -6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.243 0.246 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.207 -1.250 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.543 -1.268 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.518 1.300 -6.694 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.019 0.732 -7.462 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.078 1.512 -5.863 1.00 0.00 H new ATOM 115 N ILE A 8 -4.822 -3.616 -6.005 1.00 0.00 N ATOM 116 CA ILE A 8 -6.007 -4.335 -5.569 1.00 0.00 C ATOM 117 C ILE A 8 -5.620 -5.768 -5.197 1.00 0.00 C ATOM 118 O ILE A 8 -5.946 -6.240 -4.109 1.00 0.00 O ATOM 119 CB ILE A 8 -7.105 -4.251 -6.631 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.468 -2.795 -6.930 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.328 -5.074 -6.221 1.00 0.00 C ATOM 122 CD1 ILE A 8 -8.590 -2.711 -7.967 1.00 0.00 C ATOM 0 H ILE A 8 -4.859 -3.276 -6.966 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.425 -3.874 -4.674 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.721 -4.683 -7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.779 -2.298 -6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.589 -2.265 -7.297 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.094 -4.997 -6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.040 -6.118 -6.098 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.723 -4.694 -5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.828 -1.665 -8.161 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.266 -3.187 -8.893 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.475 -3.221 -7.587 1.00 0.00 H new ATOM 134 N GLU A 9 -4.930 -6.420 -6.122 1.00 0.00 N ATOM 135 CA GLU A 9 -4.529 -7.802 -5.920 1.00 0.00 C ATOM 136 C GLU A 9 -3.509 -7.898 -4.784 1.00 0.00 C ATOM 137 O GLU A 9 -3.305 -8.971 -4.218 1.00 0.00 O ATOM 138 CB GLU A 9 -3.970 -8.404 -7.211 1.00 0.00 C ATOM 139 CG GLU A 9 -2.609 -7.797 -7.555 1.00 0.00 C ATOM 140 CD GLU A 9 -1.469 -8.665 -7.018 1.00 0.00 C ATOM 141 OE1 GLU A 9 -1.316 -9.789 -7.544 1.00 0.00 O ATOM 142 OE2 GLU A 9 -0.778 -8.186 -6.094 1.00 0.00 O ATOM 0 H GLU A 9 -4.639 -6.017 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.410 -8.379 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.873 -9.484 -7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.668 -8.229 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.515 -7.695 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.537 -6.794 -7.133 1.00 0.00 H new ATOM 149 N ALA A 10 -2.896 -6.763 -4.484 1.00 0.00 N ATOM 150 CA ALA A 10 -1.907 -6.705 -3.421 1.00 0.00 C ATOM 151 C ALA A 10 -2.616 -6.752 -2.066 1.00 0.00 C ATOM 152 O ALA A 10 -2.140 -7.400 -1.135 1.00 0.00 O ATOM 153 CB ALA A 10 -1.052 -5.447 -3.588 1.00 0.00 C ATOM 0 H ALA A 10 -3.065 -5.876 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.238 -7.564 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.310 -5.403 -2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.546 -5.476 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.690 -4.564 -3.539 1.00 0.00 H new ATOM 159 N VAL A 11 -3.743 -6.058 -1.999 1.00 0.00 N ATOM 160 CA VAL A 11 -4.528 -6.021 -0.777 1.00 0.00 C ATOM 161 C VAL A 11 -5.108 -7.411 -0.507 1.00 0.00 C ATOM 162 O VAL A 11 -5.337 -7.779 0.644 1.00 0.00 O ATOM 163 CB VAL A 11 -5.600 -4.934 -0.876 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.688 -5.140 0.180 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.980 -3.540 -0.761 1.00 0.00 C ATOM 0 H VAL A 11 -4.131 -5.517 -2.772 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.899 -5.760 0.074 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.067 -5.012 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.438 -4.354 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.160 -6.111 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.242 -5.102 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.764 -2.786 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.474 -3.445 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.260 -3.395 -1.566 1.00 0.00 H new ATOM 175 N ALA A 12 -5.331 -8.145 -1.588 1.00 0.00 N ATOM 176 CA ALA A 12 -5.875 -9.488 -1.481 1.00 0.00 C ATOM 177 C ALA A 12 -4.733 -10.480 -1.252 1.00 0.00 C ATOM 178 O ALA A 12 -4.949 -11.690 -1.249 1.00 0.00 O ATOM 179 CB ALA A 12 -6.685 -9.811 -2.738 1.00 0.00 C ATOM 0 H ALA A 12 -5.145 -7.835 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.551 -9.562 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.094 -10.818 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.501 -9.095 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.038 -9.750 -3.613 1.00 0.00 H new ATOM 185 N ALA A 13 -3.542 -9.929 -1.067 1.00 0.00 N ATOM 186 CA ALA A 13 -2.363 -10.751 -0.851 1.00 0.00 C ATOM 187 C ALA A 13 -2.026 -10.771 0.641 1.00 0.00 C ATOM 188 O ALA A 13 -1.466 -11.745 1.142 1.00 0.00 O ATOM 189 CB ALA A 13 -1.208 -10.220 -1.703 1.00 0.00 C ATOM 0 H ALA A 13 -3.368 -8.924 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.550 -11.779 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.323 -10.836 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.487 -10.255 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.990 -9.190 -1.419 1.00 0.00 H new ATOM 195 N MET A 14 -2.381 -9.683 1.310 1.00 0.00 N ATOM 196 CA MET A 14 -2.098 -9.552 2.729 1.00 0.00 C ATOM 197 C MET A 14 -3.343 -9.854 3.566 1.00 0.00 C ATOM 198 O MET A 14 -4.433 -10.030 3.023 1.00 0.00 O ATOM 199 CB MET A 14 -1.617 -8.130 3.024 1.00 0.00 C ATOM 200 CG MET A 14 -0.283 -7.847 2.330 1.00 0.00 C ATOM 201 SD MET A 14 -0.474 -6.511 1.162 1.00 0.00 S ATOM 202 CE MET A 14 -0.243 -5.114 2.249 1.00 0.00 C ATOM 0 H MET A 14 -2.862 -8.885 0.895 1.00 0.00 H new ATOM 0 HA MET A 14 -1.322 -10.270 2.994 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.365 -7.412 2.688 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.507 -7.995 4.100 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.474 -7.588 3.070 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.066 -8.743 1.817 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.074 -4.249 1.667 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.182 -4.887 2.754 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.520 -5.352 2.990 1.00 0.00 H new ATOM 212 N SER A 15 -3.139 -9.905 4.874 1.00 0.00 N ATOM 213 CA SER A 15 -4.225 -10.211 5.789 1.00 0.00 C ATOM 214 C SER A 15 -5.101 -8.974 5.994 1.00 0.00 C ATOM 215 O SER A 15 -4.706 -7.864 5.641 1.00 0.00 O ATOM 216 CB SER A 15 -3.689 -10.710 7.133 1.00 0.00 C ATOM 217 OG SER A 15 -2.370 -10.237 7.390 1.00 0.00 O ATOM 0 H SER A 15 -2.238 -9.740 5.322 1.00 0.00 H new ATOM 0 HA SER A 15 -4.827 -11.007 5.350 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.354 -10.383 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.692 -11.800 7.142 1.00 0.00 H new ATOM 0 HG SER A 15 -2.064 -10.576 8.257 1.00 0.00 H new ATOM 223 N VAL A 16 -6.275 -9.206 6.562 1.00 0.00 N ATOM 224 CA VAL A 16 -7.210 -8.124 6.818 1.00 0.00 C ATOM 225 C VAL A 16 -6.570 -7.119 7.778 1.00 0.00 C ATOM 226 O VAL A 16 -6.644 -5.911 7.557 1.00 0.00 O ATOM 227 CB VAL A 16 -8.534 -8.688 7.340 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.458 -7.566 7.817 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.219 -9.549 6.277 1.00 0.00 C ATOM 0 H VAL A 16 -6.600 -10.128 6.852 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.440 -7.592 5.895 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.313 -9.325 8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.391 -7.994 8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.973 -7.012 8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.669 -6.891 6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.157 -9.938 6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.421 -8.944 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.567 -10.380 6.007 1.00 0.00 H new ATOM 239 N MET A 17 -5.955 -7.655 8.822 1.00 0.00 N ATOM 240 CA MET A 17 -5.306 -6.819 9.818 1.00 0.00 C ATOM 241 C MET A 17 -4.279 -5.889 9.168 1.00 0.00 C ATOM 242 O MET A 17 -4.240 -4.697 9.468 1.00 0.00 O ATOM 243 CB MET A 17 -4.609 -7.706 10.852 1.00 0.00 C ATOM 244 CG MET A 17 -5.553 -8.045 12.008 1.00 0.00 C ATOM 245 SD MET A 17 -5.790 -9.812 12.104 1.00 0.00 S ATOM 246 CE MET A 17 -6.428 -9.950 13.765 1.00 0.00 C ATOM 0 H MET A 17 -5.892 -8.657 9.000 1.00 0.00 H new ATOM 0 HA MET A 17 -6.066 -6.207 10.304 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.266 -8.625 10.376 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.725 -7.197 11.237 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.141 -7.674 12.946 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.512 -7.548 11.863 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.632 -10.997 13.991 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.693 -9.563 14.471 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.350 -9.375 13.850 1.00 0.00 H new ATOM 256 N ASP A 18 -3.474 -6.470 8.291 1.00 0.00 N ATOM 257 CA ASP A 18 -2.439 -5.711 7.609 1.00 0.00 C ATOM 258 C ASP A 18 -3.084 -4.562 6.832 1.00 0.00 C ATOM 259 O ASP A 18 -2.501 -3.486 6.711 1.00 0.00 O ATOM 260 CB ASP A 18 -1.679 -6.589 6.612 1.00 0.00 C ATOM 261 CG ASP A 18 -0.482 -5.915 5.939 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.706 -4.862 5.304 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.631 -6.468 6.075 1.00 0.00 O ATOM 0 H ASP A 18 -3.517 -7.457 8.037 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.745 -5.335 8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.330 -7.482 7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.373 -6.919 5.839 1.00 0.00 H new ATOM 268 N VAL A 19 -4.278 -4.829 6.325 1.00 0.00 N ATOM 269 CA VAL A 19 -4.979 -3.855 5.507 1.00 0.00 C ATOM 270 C VAL A 19 -5.654 -2.824 6.415 1.00 0.00 C ATOM 271 O VAL A 19 -5.826 -1.669 6.028 1.00 0.00 O ATOM 272 CB VAL A 19 -5.963 -4.565 4.574 1.00 0.00 C ATOM 273 CG1 VAL A 19 -6.844 -3.555 3.835 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.225 -5.473 3.589 1.00 0.00 C ATOM 0 H VAL A 19 -4.778 -5.707 6.465 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.278 -3.317 4.869 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.613 -5.191 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.534 -4.086 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.410 -2.968 4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.216 -2.891 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.947 -5.966 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.541 -4.876 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.661 -6.225 4.140 1.00 0.00 H new ATOM 284 N VAL A 20 -6.018 -3.279 7.604 1.00 0.00 N ATOM 285 CA VAL A 20 -6.658 -2.408 8.575 1.00 0.00 C ATOM 286 C VAL A 20 -5.677 -1.312 8.996 1.00 0.00 C ATOM 287 O VAL A 20 -6.041 -0.140 9.063 1.00 0.00 O ATOM 288 CB VAL A 20 -7.177 -3.232 9.756 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.500 -2.333 10.951 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.395 -4.064 9.350 1.00 0.00 C ATOM 0 H VAL A 20 -5.882 -4.240 7.918 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.525 -1.916 8.133 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.387 -3.920 10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.867 -2.943 11.777 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.599 -1.804 11.263 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.265 -1.610 10.666 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.744 -4.640 10.207 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.191 -3.402 9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.119 -4.744 8.544 1.00 0.00 H new ATOM 300 N GLU A 21 -4.451 -1.734 9.270 1.00 0.00 N ATOM 301 CA GLU A 21 -3.410 -0.801 9.669 1.00 0.00 C ATOM 302 C GLU A 21 -3.143 0.206 8.549 1.00 0.00 C ATOM 303 O GLU A 21 -3.068 1.409 8.796 1.00 0.00 O ATOM 304 CB GLU A 21 -2.130 -1.542 10.057 1.00 0.00 C ATOM 305 CG GLU A 21 -2.262 -2.177 11.443 1.00 0.00 C ATOM 306 CD GLU A 21 -0.888 -2.394 12.081 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.277 -3.439 11.769 1.00 0.00 O ATOM 308 OE2 GLU A 21 -0.480 -1.510 12.865 1.00 0.00 O ATOM 0 H GLU A 21 -4.155 -2.709 9.224 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.755 -0.255 10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.915 -2.314 9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.288 -0.850 10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.867 -1.536 12.084 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.784 -3.131 11.362 1.00 0.00 H new ATOM 315 N LEU A 22 -3.005 -0.322 7.342 1.00 0.00 N ATOM 316 CA LEU A 22 -2.768 0.518 6.180 1.00 0.00 C ATOM 317 C LEU A 22 -3.868 1.578 6.090 1.00 0.00 C ATOM 318 O LEU A 22 -3.596 2.772 6.201 1.00 0.00 O ATOM 319 CB LEU A 22 -2.634 -0.338 4.918 1.00 0.00 C ATOM 320 CG LEU A 22 -2.218 0.404 3.646 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.707 0.642 3.620 1.00 0.00 C ATOM 322 CD2 LEU A 22 -2.704 -0.335 2.398 1.00 0.00 C ATOM 0 H LEU A 22 -3.053 -1.321 7.143 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.821 1.048 6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.904 -1.124 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.589 -0.829 4.733 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.698 1.383 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.438 1.171 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.418 1.240 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.187 -0.316 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.396 0.213 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.272 -1.336 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.791 -0.410 2.420 1.00 0.00 H new ATOM 334 N ILE A 23 -5.089 1.102 5.889 1.00 0.00 N ATOM 335 CA ILE A 23 -6.225 1.996 5.738 1.00 0.00 C ATOM 336 C ILE A 23 -6.219 3.017 6.878 1.00 0.00 C ATOM 337 O ILE A 23 -6.502 4.194 6.663 1.00 0.00 O ATOM 338 CB ILE A 23 -7.525 1.196 5.635 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.610 0.459 4.297 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.741 2.094 5.873 1.00 0.00 C ATOM 341 CD1 ILE A 23 -7.997 1.415 3.167 1.00 0.00 C ATOM 0 H ILE A 23 -5.316 0.109 5.827 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.148 2.557 4.807 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.524 0.440 6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.650 -0.005 4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.344 -0.344 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.652 1.501 5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.679 2.534 6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.759 2.888 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.050 0.865 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.969 1.859 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.248 2.203 3.084 1.00 0.00 H new ATOM 353 N SER A 24 -5.895 2.528 8.066 1.00 0.00 N ATOM 354 CA SER A 24 -5.892 3.373 9.248 1.00 0.00 C ATOM 355 C SER A 24 -4.807 4.444 9.123 1.00 0.00 C ATOM 356 O SER A 24 -5.012 5.590 9.520 1.00 0.00 O ATOM 357 CB SER A 24 -5.679 2.546 10.517 1.00 0.00 C ATOM 358 OG SER A 24 -6.907 2.055 11.047 1.00 0.00 O ATOM 0 H SER A 24 -5.633 1.557 8.235 1.00 0.00 H new ATOM 0 HA SER A 24 -6.865 3.858 9.323 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.018 1.708 10.297 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.179 3.157 11.268 1.00 0.00 H new ATOM 0 HG SER A 24 -7.124 1.196 10.627 1.00 0.00 H new ATOM 364 N ALA A 25 -3.675 4.032 8.571 1.00 0.00 N ATOM 365 CA ALA A 25 -2.550 4.937 8.405 1.00 0.00 C ATOM 366 C ALA A 25 -2.963 6.095 7.494 1.00 0.00 C ATOM 367 O ALA A 25 -2.973 7.250 7.918 1.00 0.00 O ATOM 368 CB ALA A 25 -1.349 4.164 7.858 1.00 0.00 C ATOM 0 H ALA A 25 -3.513 3.083 8.233 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.254 5.362 9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.505 4.843 7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.078 3.372 8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.607 3.725 6.894 1.00 0.00 H new ATOM 374 N MET A 26 -3.293 5.746 6.260 1.00 0.00 N ATOM 375 CA MET A 26 -3.687 6.744 5.280 1.00 0.00 C ATOM 376 C MET A 26 -4.754 7.681 5.850 1.00 0.00 C ATOM 377 O MET A 26 -4.709 8.889 5.623 1.00 0.00 O ATOM 378 CB MET A 26 -4.233 6.047 4.032 1.00 0.00 C ATOM 379 CG MET A 26 -3.113 5.345 3.262 1.00 0.00 C ATOM 380 SD MET A 26 -3.796 4.430 1.889 1.00 0.00 S ATOM 381 CE MET A 26 -4.518 5.768 0.954 1.00 0.00 C ATOM 0 H MET A 26 -3.296 4.786 5.916 1.00 0.00 H new ATOM 0 HA MET A 26 -2.810 7.337 5.021 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.992 5.320 4.320 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.720 6.778 3.387 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.395 6.080 2.899 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.571 4.671 3.926 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.604 5.475 -0.092 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.508 5.996 1.350 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.883 6.651 1.033 1.00 0.00 H new ATOM 391 N GLU A 27 -5.688 7.088 6.578 1.00 0.00 N ATOM 392 CA GLU A 27 -6.782 7.849 7.157 1.00 0.00 C ATOM 393 C GLU A 27 -6.242 9.069 7.906 1.00 0.00 C ATOM 394 O GLU A 27 -6.688 10.192 7.675 1.00 0.00 O ATOM 395 CB GLU A 27 -7.633 6.973 8.078 1.00 0.00 C ATOM 396 CG GLU A 27 -8.792 6.334 7.310 1.00 0.00 C ATOM 397 CD GLU A 27 -10.009 6.138 8.217 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.710 7.146 8.451 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.211 4.985 8.654 1.00 0.00 O ATOM 0 H GLU A 27 -5.710 6.089 6.780 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.423 8.198 6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.012 6.194 8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.024 7.574 8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.063 6.964 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.478 5.372 6.904 1.00 0.00 H new ATOM 406 N GLU A 28 -5.288 8.808 8.787 1.00 0.00 N ATOM 407 CA GLU A 28 -4.710 9.864 9.601 1.00 0.00 C ATOM 408 C GLU A 28 -3.710 10.680 8.779 1.00 0.00 C ATOM 409 O GLU A 28 -3.756 11.909 8.781 1.00 0.00 O ATOM 410 CB GLU A 28 -4.050 9.291 10.856 1.00 0.00 C ATOM 411 CG GLU A 28 -3.406 10.399 11.692 1.00 0.00 C ATOM 412 CD GLU A 28 -3.278 9.976 13.157 1.00 0.00 C ATOM 413 OE1 GLU A 28 -4.279 9.446 13.684 1.00 0.00 O ATOM 414 OE2 GLU A 28 -2.181 10.194 13.716 1.00 0.00 O ATOM 0 H GLU A 28 -4.900 7.880 8.955 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.512 10.527 9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.794 8.765 11.454 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.294 8.559 10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.421 10.636 11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.005 11.307 11.623 1.00 0.00 H new ATOM 421 N LYS A 29 -2.830 9.963 8.096 1.00 0.00 N ATOM 422 CA LYS A 29 -1.793 10.606 7.307 1.00 0.00 C ATOM 423 C LYS A 29 -2.422 11.695 6.436 1.00 0.00 C ATOM 424 O LYS A 29 -2.185 12.882 6.653 1.00 0.00 O ATOM 425 CB LYS A 29 -1.002 9.564 6.512 1.00 0.00 C ATOM 426 CG LYS A 29 0.025 10.236 5.598 1.00 0.00 C ATOM 427 CD LYS A 29 1.254 10.686 6.390 1.00 0.00 C ATOM 428 CE LYS A 29 1.293 12.209 6.525 1.00 0.00 C ATOM 429 NZ LYS A 29 2.371 12.621 7.451 1.00 0.00 N ATOM 0 H LYS A 29 -2.814 8.943 8.073 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.068 11.096 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.495 8.886 7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.686 8.961 5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.328 9.542 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.429 11.096 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.240 10.230 7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.159 10.338 5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.453 12.662 5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.333 12.572 6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.383 13.658 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.202 12.204 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.287 12.291 7.086 1.00 0.00 H new ATOM 443 N PHE A 30 -3.213 11.252 5.470 1.00 0.00 N ATOM 444 CA PHE A 30 -3.826 12.170 4.525 1.00 0.00 C ATOM 445 C PHE A 30 -4.971 12.947 5.179 1.00 0.00 C ATOM 446 O PHE A 30 -5.477 13.911 4.608 1.00 0.00 O ATOM 447 CB PHE A 30 -4.388 11.325 3.380 1.00 0.00 C ATOM 448 CG PHE A 30 -3.318 10.726 2.465 1.00 0.00 C ATOM 449 CD1 PHE A 30 -2.837 11.448 1.418 1.00 0.00 C ATOM 450 CD2 PHE A 30 -2.848 9.471 2.699 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.844 10.892 0.569 1.00 0.00 C ATOM 452 CE2 PHE A 30 -1.855 8.915 1.850 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.374 9.638 0.803 1.00 0.00 C ATOM 0 H PHE A 30 -3.444 10.270 5.321 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.087 12.891 4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.987 10.517 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.059 11.942 2.782 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.210 12.444 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.230 8.898 3.531 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.462 11.465 -0.263 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.482 7.919 2.035 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.618 9.216 0.157 1.00 0.00 H new ATOM 463 N GLY A 31 -5.345 12.497 6.368 1.00 0.00 N ATOM 464 CA GLY A 31 -6.404 13.152 7.117 1.00 0.00 C ATOM 465 C GLY A 31 -7.526 13.618 6.187 1.00 0.00 C ATOM 466 O GLY A 31 -8.148 14.651 6.428 1.00 0.00 O ATOM 0 H GLY A 31 -4.933 11.687 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.806 12.465 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.997 14.006 7.658 1.00 0.00 H new ATOM 568 N THR B 3 6.641 -2.288 2.637 1.00 0.00 N ATOM 569 CA THR B 3 6.079 -2.061 3.957 1.00 0.00 C ATOM 570 C THR B 3 4.829 -1.183 3.861 1.00 0.00 C ATOM 571 O THR B 3 4.636 -0.478 2.872 1.00 0.00 O ATOM 572 CB THR B 3 7.175 -1.462 4.841 1.00 0.00 C ATOM 573 OG1 THR B 3 7.721 -0.409 4.052 1.00 0.00 O ATOM 574 CG2 THR B 3 8.350 -2.421 5.047 1.00 0.00 C ATOM 0 HA THR B 3 5.748 -2.995 4.412 1.00 0.00 H new ATOM 0 HB THR B 3 6.753 -1.191 5.809 1.00 0.00 H new ATOM 0 HG1 THR B 3 8.439 0.035 4.550 1.00 0.00 H new ATOM 0 HG21 THR B 3 9.099 -1.947 5.681 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.995 -3.334 5.525 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.794 -2.666 4.082 1.00 0.00 H new ATOM 582 N LYS B 4 4.013 -1.256 4.902 1.00 0.00 N ATOM 583 CA LYS B 4 2.788 -0.475 4.949 1.00 0.00 C ATOM 584 C LYS B 4 3.124 1.004 4.753 1.00 0.00 C ATOM 585 O LYS B 4 2.463 1.698 3.981 1.00 0.00 O ATOM 586 CB LYS B 4 2.017 -0.765 6.238 1.00 0.00 C ATOM 587 CG LYS B 4 1.155 -2.021 6.091 1.00 0.00 C ATOM 588 CD LYS B 4 1.507 -3.056 7.161 1.00 0.00 C ATOM 589 CE LYS B 4 0.790 -2.751 8.477 1.00 0.00 C ATOM 590 NZ LYS B 4 1.716 -2.907 9.621 1.00 0.00 N ATOM 0 H LYS B 4 4.176 -1.844 5.720 1.00 0.00 H new ATOM 0 HA LYS B 4 2.122 -0.762 4.135 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.717 -0.895 7.063 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.385 0.087 6.487 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.101 -1.754 6.171 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.301 -2.453 5.101 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.230 -4.051 6.814 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.585 -3.064 7.324 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.396 -1.735 8.456 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -0.062 -3.420 8.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 1.170 -3.084 10.488 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.354 -3.709 9.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.275 -2.038 9.736 1.00 0.00 H new ATOM 604 N ASP B 5 4.151 1.445 5.464 1.00 0.00 N ATOM 605 CA ASP B 5 4.575 2.832 5.387 1.00 0.00 C ATOM 606 C ASP B 5 4.940 3.170 3.940 1.00 0.00 C ATOM 607 O ASP B 5 4.570 4.228 3.433 1.00 0.00 O ATOM 608 CB ASP B 5 5.810 3.080 6.256 1.00 0.00 C ATOM 609 CG ASP B 5 5.521 3.304 7.741 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.352 3.093 8.130 1.00 0.00 O ATOM 611 OD2 ASP B 5 6.476 3.680 8.455 1.00 0.00 O ATOM 0 H ASP B 5 4.702 0.865 6.097 1.00 0.00 H new ATOM 0 HA ASP B 5 3.754 3.455 5.741 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.483 2.228 6.157 1.00 0.00 H new ATOM 0 HB3 ASP B 5 6.339 3.951 5.869 1.00 0.00 H new ATOM 616 N GLN B 6 5.661 2.251 3.315 1.00 0.00 N ATOM 617 CA GLN B 6 6.103 2.450 1.945 1.00 0.00 C ATOM 618 C GLN B 6 4.899 2.660 1.025 1.00 0.00 C ATOM 619 O GLN B 6 5.019 3.288 -0.026 1.00 0.00 O ATOM 620 CB GLN B 6 6.959 1.275 1.469 1.00 0.00 C ATOM 621 CG GLN B 6 8.433 1.495 1.815 1.00 0.00 C ATOM 622 CD GLN B 6 9.207 2.023 0.605 1.00 0.00 C ATOM 623 OE1 GLN B 6 9.821 1.280 -0.144 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.145 3.343 0.457 1.00 0.00 N ATOM 0 H GLN B 6 5.950 1.366 3.732 1.00 0.00 H new ATOM 0 HA GLN B 6 6.723 3.346 1.910 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.607 0.353 1.932 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.849 1.153 0.391 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.515 2.202 2.640 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.875 0.558 2.153 1.00 0.00 H new ATOM 0 HE21 GLN B 6 8.613 3.906 1.120 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.629 3.792 -0.320 1.00 0.00 H new ATOM 633 N ILE B 7 3.766 2.122 1.453 1.00 0.00 N ATOM 634 CA ILE B 7 2.546 2.226 0.671 1.00 0.00 C ATOM 635 C ILE B 7 1.910 3.598 0.906 1.00 0.00 C ATOM 636 O ILE B 7 1.223 4.125 0.033 1.00 0.00 O ATOM 637 CB ILE B 7 1.612 1.054 0.977 1.00 0.00 C ATOM 638 CG1 ILE B 7 2.238 -0.274 0.545 1.00 0.00 C ATOM 639 CG2 ILE B 7 0.235 1.270 0.346 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.047 -0.508 -0.954 1.00 0.00 C ATOM 0 H ILE B 7 3.668 1.613 2.331 1.00 0.00 H new ATOM 0 HA ILE B 7 2.769 2.156 -0.394 1.00 0.00 H new ATOM 0 HB ILE B 7 1.468 1.006 2.056 1.00 0.00 H new ATOM 0 HG12 ILE B 7 3.301 -0.274 0.784 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.786 -1.093 1.105 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.409 0.422 0.579 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.208 2.183 0.744 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.340 1.359 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.501 -1.458 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE B 7 0.982 -0.532 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.521 0.299 -1.512 1.00 0.00 H new ATOM 652 N ILE B 8 2.161 4.135 2.091 1.00 0.00 N ATOM 653 CA ILE B 8 1.644 5.447 2.442 1.00 0.00 C ATOM 654 C ILE B 8 2.199 6.487 1.466 1.00 0.00 C ATOM 655 O ILE B 8 1.463 7.349 0.988 1.00 0.00 O ATOM 656 CB ILE B 8 1.938 5.763 3.910 1.00 0.00 C ATOM 657 CG1 ILE B 8 1.250 4.758 4.836 1.00 0.00 C ATOM 658 CG2 ILE B 8 1.557 7.207 4.247 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.256 5.016 4.903 1.00 0.00 C ATOM 0 H ILE B 8 2.715 3.686 2.820 1.00 0.00 H new ATOM 0 HA ILE B 8 0.558 5.467 2.346 1.00 0.00 H new ATOM 0 HB ILE B 8 3.012 5.667 4.072 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.433 3.745 4.479 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.679 4.826 5.836 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.776 7.406 5.296 1.00 0.00 H new ATOM 0 HG22 ILE B 8 2.131 7.890 3.621 1.00 0.00 H new ATOM 0 HG23 ILE B 8 0.493 7.355 4.064 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.721 4.288 5.568 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.436 6.021 5.283 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.686 4.923 3.906 1.00 0.00 H new ATOM 671 N GLU B 9 3.491 6.371 1.199 1.00 0.00 N ATOM 672 CA GLU B 9 4.157 7.301 0.303 1.00 0.00 C ATOM 673 C GLU B 9 3.807 6.978 -1.152 1.00 0.00 C ATOM 674 O GLU B 9 4.040 7.790 -2.045 1.00 0.00 O ATOM 675 CB GLU B 9 5.671 7.284 0.520 1.00 0.00 C ATOM 676 CG GLU B 9 6.049 8.018 1.808 1.00 0.00 C ATOM 677 CD GLU B 9 6.213 9.518 1.556 1.00 0.00 C ATOM 678 OE1 GLU B 9 5.196 10.146 1.189 1.00 0.00 O ATOM 679 OE2 GLU B 9 7.351 10.003 1.737 1.00 0.00 O ATOM 0 H GLU B 9 4.095 5.647 1.588 1.00 0.00 H new ATOM 0 HA GLU B 9 3.803 8.307 0.527 1.00 0.00 H new ATOM 0 HB2 GLU B 9 6.023 6.254 0.568 1.00 0.00 H new ATOM 0 HB3 GLU B 9 6.169 7.752 -0.329 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.280 7.854 2.563 1.00 0.00 H new ATOM 0 HG3 GLU B 9 6.978 7.609 2.205 1.00 0.00 H new ATOM 686 N ALA B 10 3.254 5.789 -1.344 1.00 0.00 N ATOM 687 CA ALA B 10 2.915 5.329 -2.679 1.00 0.00 C ATOM 688 C ALA B 10 1.624 6.010 -3.137 1.00 0.00 C ATOM 689 O ALA B 10 1.482 6.358 -4.308 1.00 0.00 O ATOM 690 CB ALA B 10 2.802 3.803 -2.680 1.00 0.00 C ATOM 0 H ALA B 10 3.033 5.131 -0.597 1.00 0.00 H new ATOM 0 HA ALA B 10 3.698 5.598 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.548 3.458 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.754 3.367 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA B 10 2.024 3.495 -1.982 1.00 0.00 H new ATOM 696 N VAL B 11 0.715 6.180 -2.188 1.00 0.00 N ATOM 697 CA VAL B 11 -0.559 6.817 -2.478 1.00 0.00 C ATOM 698 C VAL B 11 -0.350 8.327 -2.610 1.00 0.00 C ATOM 699 O VAL B 11 -1.076 8.996 -3.344 1.00 0.00 O ATOM 700 CB VAL B 11 -1.585 6.447 -1.406 1.00 0.00 C ATOM 701 CG1 VAL B 11 -2.832 7.327 -1.514 1.00 0.00 C ATOM 702 CG2 VAL B 11 -1.952 4.964 -1.486 1.00 0.00 C ATOM 0 H VAL B 11 0.835 5.888 -1.218 1.00 0.00 H new ATOM 0 HA VAL B 11 -0.958 6.459 -3.427 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.131 6.627 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.546 7.043 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.552 8.372 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.288 7.193 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.683 4.728 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.377 4.747 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.058 4.359 -1.336 1.00 0.00 H new ATOM 712 N ALA B 12 0.645 8.820 -1.888 1.00 0.00 N ATOM 713 CA ALA B 12 0.962 10.238 -1.920 1.00 0.00 C ATOM 714 C ALA B 12 1.801 10.541 -3.163 1.00 0.00 C ATOM 715 O ALA B 12 2.222 11.678 -3.370 1.00 0.00 O ATOM 716 CB ALA B 12 1.675 10.631 -0.625 1.00 0.00 C ATOM 0 H ALA B 12 1.243 8.263 -1.277 1.00 0.00 H new ATOM 0 HA ALA B 12 0.051 10.833 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.913 11.694 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA B 12 1.025 10.423 0.225 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.596 10.055 -0.527 1.00 0.00 H new ATOM 722 N ALA B 13 2.020 9.503 -3.957 1.00 0.00 N ATOM 723 CA ALA B 13 2.793 9.646 -5.179 1.00 0.00 C ATOM 724 C ALA B 13 1.841 9.840 -6.361 1.00 0.00 C ATOM 725 O ALA B 13 2.210 10.444 -7.367 1.00 0.00 O ATOM 726 CB ALA B 13 3.700 8.427 -5.355 1.00 0.00 C ATOM 0 H ALA B 13 1.676 8.560 -3.778 1.00 0.00 H new ATOM 0 HA ALA B 13 3.435 10.525 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.280 8.534 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.377 8.351 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA B 13 3.090 7.525 -5.415 1.00 0.00 H new ATOM 732 N MET B 14 0.635 9.317 -6.199 1.00 0.00 N ATOM 733 CA MET B 14 -0.361 9.390 -7.255 1.00 0.00 C ATOM 734 C MET B 14 -1.312 10.567 -7.031 1.00 0.00 C ATOM 735 O MET B 14 -1.302 11.185 -5.967 1.00 0.00 O ATOM 736 CB MET B 14 -1.161 8.087 -7.295 1.00 0.00 C ATOM 737 CG MET B 14 -0.241 6.886 -7.525 1.00 0.00 C ATOM 738 SD MET B 14 -1.165 5.368 -7.357 1.00 0.00 S ATOM 739 CE MET B 14 0.160 4.181 -7.503 1.00 0.00 C ATOM 0 H MET B 14 0.324 8.841 -5.352 1.00 0.00 H new ATOM 0 HA MET B 14 0.154 9.539 -8.204 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.703 7.960 -6.358 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.905 8.137 -8.090 1.00 0.00 H new ATOM 0 HG2 MET B 14 0.203 6.943 -8.519 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.579 6.903 -6.808 1.00 0.00 H new ATOM 0 HE1 MET B 14 -0.223 3.261 -7.944 1.00 0.00 H new ATOM 0 HE2 MET B 14 0.945 4.589 -8.139 1.00 0.00 H new ATOM 0 HE3 MET B 14 0.568 3.968 -6.515 1.00 0.00 H new ATOM 749 N SER B 15 -2.112 10.842 -8.051 1.00 0.00 N ATOM 750 CA SER B 15 -3.067 11.936 -7.979 1.00 0.00 C ATOM 751 C SER B 15 -4.291 11.509 -7.168 1.00 0.00 C ATOM 752 O SER B 15 -4.535 10.317 -6.985 1.00 0.00 O ATOM 753 CB SER B 15 -3.489 12.390 -9.378 1.00 0.00 C ATOM 754 OG SER B 15 -3.337 11.354 -10.345 1.00 0.00 O ATOM 0 H SER B 15 -2.119 10.327 -8.931 1.00 0.00 H new ATOM 0 HA SER B 15 -2.586 12.779 -7.482 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.529 12.715 -9.355 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.892 13.253 -9.674 1.00 0.00 H new ATOM 0 HG SER B 15 -3.618 11.683 -11.224 1.00 0.00 H new ATOM 760 N VAL B 16 -5.030 12.506 -6.703 1.00 0.00 N ATOM 761 CA VAL B 16 -6.214 12.249 -5.900 1.00 0.00 C ATOM 762 C VAL B 16 -7.169 11.345 -6.682 1.00 0.00 C ATOM 763 O VAL B 16 -7.712 10.387 -6.134 1.00 0.00 O ATOM 764 CB VAL B 16 -6.855 13.571 -5.476 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.064 13.328 -4.570 1.00 0.00 C ATOM 766 CG2 VAL B 16 -5.833 14.483 -4.794 1.00 0.00 C ATOM 0 H VAL B 16 -4.832 13.493 -6.867 1.00 0.00 H new ATOM 0 HA VAL B 16 -5.947 11.724 -4.983 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.206 14.076 -6.376 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.501 14.284 -4.283 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -8.806 12.735 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.747 12.791 -3.676 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.315 15.416 -4.503 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.437 13.987 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.018 14.696 -5.485 1.00 0.00 H new ATOM 776 N MET B 17 -7.345 11.681 -7.952 1.00 0.00 N ATOM 777 CA MET B 17 -8.246 10.928 -8.807 1.00 0.00 C ATOM 778 C MET B 17 -7.858 9.449 -8.845 1.00 0.00 C ATOM 779 O MET B 17 -8.712 8.576 -8.694 1.00 0.00 O ATOM 780 CB MET B 17 -8.204 11.503 -10.225 1.00 0.00 C ATOM 781 CG MET B 17 -9.225 12.631 -10.389 1.00 0.00 C ATOM 782 SD MET B 17 -10.814 11.955 -10.839 1.00 0.00 S ATOM 783 CE MET B 17 -10.525 11.607 -12.566 1.00 0.00 C ATOM 0 H MET B 17 -6.879 12.465 -8.409 1.00 0.00 H new ATOM 0 HA MET B 17 -9.254 11.010 -8.401 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.204 11.879 -10.439 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.410 10.713 -10.948 1.00 0.00 H new ATOM 0 HG2 MET B 17 -9.310 13.194 -9.459 1.00 0.00 H new ATOM 0 HG3 MET B 17 -8.888 13.330 -11.155 1.00 0.00 H new ATOM 0 HE1 MET B 17 -11.276 12.115 -13.170 1.00 0.00 H new ATOM 0 HE2 MET B 17 -9.533 11.961 -12.847 1.00 0.00 H new ATOM 0 HE3 MET B 17 -10.589 10.532 -12.736 1.00 0.00 H new ATOM 793 N ASP B 18 -6.570 9.212 -9.047 1.00 0.00 N ATOM 794 CA ASP B 18 -6.063 7.853 -9.131 1.00 0.00 C ATOM 795 C ASP B 18 -6.409 7.104 -7.842 1.00 0.00 C ATOM 796 O ASP B 18 -6.631 5.894 -7.864 1.00 0.00 O ATOM 797 CB ASP B 18 -4.542 7.842 -9.289 1.00 0.00 C ATOM 798 CG ASP B 18 -3.918 6.454 -9.449 1.00 0.00 C ATOM 799 OD1 ASP B 18 -4.076 5.650 -8.505 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.298 6.229 -10.510 1.00 0.00 O ATOM 0 H ASP B 18 -5.862 9.939 -9.155 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.520 7.376 -9.998 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.278 8.445 -10.158 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.098 8.325 -8.419 1.00 0.00 H new ATOM 805 N VAL B 19 -6.445 7.854 -6.751 1.00 0.00 N ATOM 806 CA VAL B 19 -6.703 7.267 -5.447 1.00 0.00 C ATOM 807 C VAL B 19 -8.199 6.980 -5.308 1.00 0.00 C ATOM 808 O VAL B 19 -8.590 5.952 -4.758 1.00 0.00 O ATOM 809 CB VAL B 19 -6.165 8.182 -4.345 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.613 7.699 -2.964 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.640 8.292 -4.420 1.00 0.00 C ATOM 0 H VAL B 19 -6.300 8.864 -6.743 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.179 6.316 -5.346 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.581 9.177 -4.503 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.217 8.367 -2.199 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.702 7.696 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.240 6.689 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.283 8.948 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.198 7.303 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.352 8.703 -5.387 1.00 0.00 H new ATOM 821 N VAL B 20 -8.997 7.908 -5.817 1.00 0.00 N ATOM 822 CA VAL B 20 -10.441 7.751 -5.789 1.00 0.00 C ATOM 823 C VAL B 20 -10.826 6.475 -6.540 1.00 0.00 C ATOM 824 O VAL B 20 -11.635 5.685 -6.056 1.00 0.00 O ATOM 825 CB VAL B 20 -11.114 9.004 -6.353 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.567 8.718 -6.739 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.029 10.166 -5.361 1.00 0.00 C ATOM 0 H VAL B 20 -8.670 8.771 -6.251 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.794 7.643 -4.763 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.578 9.295 -7.256 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -13.023 9.625 -7.137 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.595 7.935 -7.497 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.120 8.391 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.515 11.044 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.529 9.889 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.983 10.394 -5.156 1.00 0.00 H new ATOM 837 N GLU B 21 -10.228 6.313 -7.712 1.00 0.00 N ATOM 838 CA GLU B 21 -10.498 5.147 -8.535 1.00 0.00 C ATOM 839 C GLU B 21 -10.030 3.876 -7.824 1.00 0.00 C ATOM 840 O GLU B 21 -10.744 2.874 -7.801 1.00 0.00 O ATOM 841 CB GLU B 21 -9.839 5.281 -9.909 1.00 0.00 C ATOM 842 CG GLU B 21 -10.611 6.263 -10.793 1.00 0.00 C ATOM 843 CD GLU B 21 -9.681 6.937 -11.804 1.00 0.00 C ATOM 844 OE1 GLU B 21 -9.098 6.194 -12.623 1.00 0.00 O ATOM 845 OE2 GLU B 21 -9.575 8.181 -11.735 1.00 0.00 O ATOM 0 H GLU B 21 -9.558 6.970 -8.111 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.575 5.078 -8.690 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.811 5.623 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.797 4.305 -10.393 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.406 5.736 -11.320 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -11.088 7.020 -10.171 1.00 0.00 H new ATOM 852 N LEU B 22 -8.833 3.957 -7.261 1.00 0.00 N ATOM 853 CA LEU B 22 -8.264 2.828 -6.547 1.00 0.00 C ATOM 854 C LEU B 22 -9.241 2.370 -5.462 1.00 0.00 C ATOM 855 O LEU B 22 -9.765 1.258 -5.523 1.00 0.00 O ATOM 856 CB LEU B 22 -6.873 3.177 -6.013 1.00 0.00 C ATOM 857 CG LEU B 22 -6.114 2.041 -5.324 1.00 0.00 C ATOM 858 CD1 LEU B 22 -4.605 2.185 -5.532 1.00 0.00 C ATOM 859 CD2 LEU B 22 -6.483 1.955 -3.842 1.00 0.00 C ATOM 0 H LEU B 22 -8.242 4.788 -7.285 1.00 0.00 H new ATOM 0 HA LEU B 22 -8.119 1.985 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.268 3.540 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.973 4.001 -5.307 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.414 1.100 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.089 1.365 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -4.381 2.159 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.269 3.134 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -5.930 1.140 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -6.230 2.894 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.553 1.770 -3.744 1.00 0.00 H new ATOM 871 N ILE B 23 -9.457 3.249 -4.495 1.00 0.00 N ATOM 872 CA ILE B 23 -10.347 2.941 -3.388 1.00 0.00 C ATOM 873 C ILE B 23 -11.639 2.329 -3.933 1.00 0.00 C ATOM 874 O ILE B 23 -12.043 1.246 -3.511 1.00 0.00 O ATOM 875 CB ILE B 23 -10.572 4.181 -2.521 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.313 4.528 -1.723 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.793 4.003 -1.617 1.00 0.00 C ATOM 878 CD1 ILE B 23 -9.348 5.982 -1.249 1.00 0.00 C ATOM 0 H ILE B 23 -9.031 4.175 -4.455 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.895 2.198 -2.731 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.779 5.025 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -9.228 3.863 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.430 4.364 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.931 4.899 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.679 3.840 -2.230 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.640 3.143 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.442 6.203 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.408 6.645 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -10.219 6.136 -0.612 1.00 0.00 H new ATOM 890 N SER B 24 -12.251 3.048 -4.862 1.00 0.00 N ATOM 891 CA SER B 24 -13.521 2.620 -5.424 1.00 0.00 C ATOM 892 C SER B 24 -13.390 1.206 -5.996 1.00 0.00 C ATOM 893 O SER B 24 -14.320 0.408 -5.905 1.00 0.00 O ATOM 894 CB SER B 24 -13.998 3.588 -6.508 1.00 0.00 C ATOM 895 OG SER B 24 -14.856 4.597 -5.982 1.00 0.00 O ATOM 0 H SER B 24 -11.891 3.924 -5.240 1.00 0.00 H new ATOM 0 HA SER B 24 -14.264 2.616 -4.626 1.00 0.00 H new ATOM 0 HB2 SER B 24 -13.135 4.056 -6.981 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.525 3.033 -7.284 1.00 0.00 H new ATOM 0 HG SER B 24 -15.138 5.196 -6.705 1.00 0.00 H new ATOM 901 N ALA B 25 -12.227 0.941 -6.572 1.00 0.00 N ATOM 902 CA ALA B 25 -11.983 -0.341 -7.210 1.00 0.00 C ATOM 903 C ALA B 25 -12.182 -1.461 -6.186 1.00 0.00 C ATOM 904 O ALA B 25 -13.059 -2.308 -6.350 1.00 0.00 O ATOM 905 CB ALA B 25 -10.579 -0.351 -7.818 1.00 0.00 C ATOM 0 H ALA B 25 -11.443 1.592 -6.610 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.691 -0.506 -8.022 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.397 -1.313 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.498 0.444 -8.559 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.841 -0.191 -7.032 1.00 0.00 H new ATOM 911 N MET B 26 -11.353 -1.429 -5.153 1.00 0.00 N ATOM 912 CA MET B 26 -11.386 -2.464 -4.134 1.00 0.00 C ATOM 913 C MET B 26 -12.814 -2.698 -3.637 1.00 0.00 C ATOM 914 O MET B 26 -13.227 -3.840 -3.438 1.00 0.00 O ATOM 915 CB MET B 26 -10.497 -2.053 -2.959 1.00 0.00 C ATOM 916 CG MET B 26 -9.018 -2.109 -3.345 1.00 0.00 C ATOM 917 SD MET B 26 -8.018 -1.434 -2.029 1.00 0.00 S ATOM 918 CE MET B 26 -6.437 -1.349 -2.854 1.00 0.00 C ATOM 0 H MET B 26 -10.654 -0.702 -5.000 1.00 0.00 H new ATOM 0 HA MET B 26 -11.017 -3.391 -4.572 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.755 -1.044 -2.639 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.681 -2.713 -2.111 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.724 -3.140 -3.544 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.852 -1.547 -4.264 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.756 -0.727 -2.273 1.00 0.00 H new ATOM 0 HE2 MET B 26 -6.021 -2.352 -2.948 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.567 -0.916 -3.846 1.00 0.00 H new ATOM 928 N GLU B 27 -13.530 -1.598 -3.451 1.00 0.00 N ATOM 929 CA GLU B 27 -14.898 -1.669 -2.967 1.00 0.00 C ATOM 930 C GLU B 27 -15.698 -2.684 -3.784 1.00 0.00 C ATOM 931 O GLU B 27 -16.454 -3.478 -3.226 1.00 0.00 O ATOM 932 CB GLU B 27 -15.563 -0.291 -3.001 1.00 0.00 C ATOM 933 CG GLU B 27 -15.474 0.394 -1.636 1.00 0.00 C ATOM 934 CD GLU B 27 -14.176 1.194 -1.507 1.00 0.00 C ATOM 935 OE1 GLU B 27 -14.160 2.335 -2.016 1.00 0.00 O ATOM 936 OE2 GLU B 27 -13.229 0.645 -0.903 1.00 0.00 O ATOM 0 H GLU B 27 -13.188 -0.653 -3.627 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.879 -2.002 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -15.082 0.331 -3.756 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.608 -0.395 -3.293 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -16.329 1.057 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -15.524 -0.355 -0.845 1.00 0.00 H new ATOM 943 N GLU B 28 -15.505 -2.626 -5.094 1.00 0.00 N ATOM 944 CA GLU B 28 -16.216 -3.517 -5.995 1.00 0.00 C ATOM 945 C GLU B 28 -15.551 -4.895 -6.015 1.00 0.00 C ATOM 946 O GLU B 28 -16.222 -5.914 -5.860 1.00 0.00 O ATOM 947 CB GLU B 28 -16.292 -2.925 -7.404 1.00 0.00 C ATOM 948 CG GLU B 28 -17.432 -3.559 -8.205 1.00 0.00 C ATOM 949 CD GLU B 28 -17.154 -3.483 -9.707 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.894 -2.356 -10.180 1.00 0.00 O ATOM 951 OE2 GLU B 28 -17.208 -4.555 -10.349 1.00 0.00 O ATOM 0 H GLU B 28 -14.867 -1.976 -5.553 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.236 -3.633 -5.629 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.442 -1.847 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.346 -3.086 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.556 -4.600 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.368 -3.049 -7.978 1.00 0.00 H new ATOM 958 N LYS B 29 -14.240 -4.881 -6.205 1.00 0.00 N ATOM 959 CA LYS B 29 -13.482 -6.118 -6.286 1.00 0.00 C ATOM 960 C LYS B 29 -13.811 -6.992 -5.074 1.00 0.00 C ATOM 961 O LYS B 29 -14.362 -8.082 -5.222 1.00 0.00 O ATOM 962 CB LYS B 29 -11.989 -5.823 -6.444 1.00 0.00 C ATOM 963 CG LYS B 29 -11.171 -7.115 -6.435 1.00 0.00 C ATOM 964 CD LYS B 29 -10.860 -7.577 -7.861 1.00 0.00 C ATOM 965 CE LYS B 29 -10.753 -9.101 -7.932 1.00 0.00 C ATOM 966 NZ LYS B 29 -12.096 -9.710 -8.062 1.00 0.00 N ATOM 0 H LYS B 29 -13.683 -4.032 -6.305 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.767 -6.682 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.818 -5.286 -7.377 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.656 -5.172 -5.636 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.241 -6.957 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.721 -7.895 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.642 -7.232 -8.538 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.926 -7.127 -8.197 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.133 -9.389 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.261 -9.479 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.005 -10.745 -8.109 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.676 -9.450 -7.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.552 -9.363 -8.930 1.00 0.00 H new ATOM 980 N PHE B 30 -13.460 -6.482 -3.903 1.00 0.00 N ATOM 981 CA PHE B 30 -13.677 -7.219 -2.670 1.00 0.00 C ATOM 982 C PHE B 30 -15.161 -7.242 -2.298 1.00 0.00 C ATOM 983 O PHE B 30 -15.563 -7.954 -1.380 1.00 0.00 O ATOM 984 CB PHE B 30 -12.899 -6.492 -1.572 1.00 0.00 C ATOM 985 CG PHE B 30 -11.382 -6.672 -1.660 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.636 -5.805 -2.396 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.779 -7.698 -1.002 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.229 -5.971 -2.478 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.372 -7.865 -1.084 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.626 -6.998 -1.821 1.00 0.00 C ATOM 0 H PHE B 30 -13.027 -5.567 -3.782 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.345 -8.250 -2.790 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -13.132 -5.428 -1.620 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -13.241 -6.850 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.115 -4.990 -2.918 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.371 -8.386 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.637 -5.282 -3.062 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.894 -8.680 -0.561 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.555 -7.125 -1.884 1.00 0.00 H new