USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 366 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 1 ALA N :NH3+ 134:sc= 0.025 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -143:sc= -0.0762 (180deg=-0.706) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -8.31! C(o=-13!,f=-8.3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.64! C(o=-3.6!,f=-3.4!) USER MOD Single : A 33 ASN : amide:sc= -0.0347 K(o=-0.035,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 34.646 -1.145 3.993 1.00 0.00 N ATOM 2 CA ALA A 1 33.356 -0.436 4.194 1.00 0.00 C ATOM 3 C ALA A 1 32.278 -0.991 3.269 1.00 0.00 C ATOM 4 O ALA A 1 32.558 -1.375 2.134 1.00 0.00 O ATOM 5 CB ALA A 1 33.533 1.057 3.962 1.00 0.00 C ATOM 0 H1 ALA A 1 35.418 -0.451 3.930 1.00 0.00 H new ATOM 0 H2 ALA A 1 34.820 -1.784 4.795 1.00 0.00 H new ATOM 0 H3 ALA A 1 34.605 -1.697 3.113 1.00 0.00 H new ATOM 0 HA ALA A 1 33.036 -0.597 5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.580 1.564 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 1 34.268 1.450 4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 1 33.878 1.228 2.942 1.00 0.00 H new ATOM 13 N LYS A 2 31.045 -1.030 3.763 1.00 0.00 N ATOM 14 CA LYS A 2 29.926 -1.539 2.979 1.00 0.00 C ATOM 15 C LYS A 2 28.602 -1.271 3.686 1.00 0.00 C ATOM 16 O LYS A 2 27.736 -2.143 3.759 1.00 0.00 O ATOM 17 CB LYS A 2 30.090 -3.039 2.733 1.00 0.00 C ATOM 18 CG LYS A 2 29.886 -3.884 3.979 1.00 0.00 C ATOM 19 CD LYS A 2 30.711 -3.363 5.144 1.00 0.00 C ATOM 20 CE LYS A 2 30.747 -4.361 6.290 1.00 0.00 C ATOM 21 NZ LYS A 2 29.799 -3.991 7.377 1.00 0.00 N ATOM 0 H LYS A 2 30.796 -0.716 4.701 1.00 0.00 H new ATOM 0 HA LYS A 2 29.919 -1.019 2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 2 29.378 -3.354 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.087 -3.227 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 2 28.830 -3.885 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 2 30.162 -4.917 3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 2 31.727 -3.156 4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 2 30.293 -2.419 5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 2 30.500 -5.354 5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 2 31.758 -4.415 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 29.853 -4.696 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 30.050 -3.054 7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 28.831 -3.964 6.999 1.00 0.00 H new ATOM 35 N ILE A 3 28.456 -0.061 4.211 1.00 0.00 N ATOM 36 CA ILE A 3 27.244 0.326 4.919 1.00 0.00 C ATOM 37 C ILE A 3 26.233 1.046 4.016 1.00 0.00 C ATOM 38 O ILE A 3 25.028 0.954 4.250 1.00 0.00 O ATOM 39 CB ILE A 3 27.570 1.225 6.129 1.00 0.00 C ATOM 40 CG1 ILE A 3 26.403 1.230 7.118 1.00 0.00 C ATOM 41 CG2 ILE A 3 27.895 2.641 5.676 1.00 0.00 C ATOM 42 CD1 ILE A 3 26.834 1.408 8.557 1.00 0.00 C ATOM 0 H ILE A 3 29.165 0.671 4.159 1.00 0.00 H new ATOM 0 HA ILE A 3 26.789 -0.603 5.262 1.00 0.00 H new ATOM 0 HB ILE A 3 28.448 0.820 6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 3 25.714 2.032 6.851 1.00 0.00 H new ATOM 0 HG13 ILE A 3 25.854 0.293 7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.122 3.258 6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 3 28.758 2.621 5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 3 27.038 3.060 5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 3 25.956 1.402 9.203 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.499 0.593 8.841 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.358 2.358 8.665 1.00 0.00 H new ATOM 54 N PRO A 4 26.688 1.784 2.979 1.00 0.00 N ATOM 55 CA PRO A 4 25.778 2.508 2.087 1.00 0.00 C ATOM 56 C PRO A 4 25.074 1.599 1.086 1.00 0.00 C ATOM 57 O PRO A 4 23.989 1.922 0.604 1.00 0.00 O ATOM 58 CB PRO A 4 26.697 3.494 1.368 1.00 0.00 C ATOM 59 CG PRO A 4 28.030 2.833 1.357 1.00 0.00 C ATOM 60 CD PRO A 4 28.102 1.985 2.602 1.00 0.00 C ATOM 0 HA PRO A 4 24.967 2.982 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 4 26.347 3.695 0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 4 26.734 4.451 1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 4 28.151 2.220 0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 4 28.830 3.574 1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 4 28.603 1.036 2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.659 2.485 3.394 1.00 0.00 H new ATOM 68 N ILE A 5 25.685 0.460 0.776 1.00 0.00 N ATOM 69 CA ILE A 5 25.091 -0.482 -0.166 1.00 0.00 C ATOM 70 C ILE A 5 23.743 -0.967 0.342 1.00 0.00 C ATOM 71 O ILE A 5 22.701 -0.676 -0.245 1.00 0.00 O ATOM 72 CB ILE A 5 25.997 -1.703 -0.403 1.00 0.00 C ATOM 73 CG1 ILE A 5 27.382 -1.258 -0.868 1.00 0.00 C ATOM 74 CG2 ILE A 5 25.366 -2.642 -1.421 1.00 0.00 C ATOM 75 CD1 ILE A 5 28.509 -1.968 -0.154 1.00 0.00 C ATOM 0 H ILE A 5 26.584 0.168 1.160 1.00 0.00 H new ATOM 0 HA ILE A 5 24.966 0.051 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 5 26.108 -2.241 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 5 27.472 -1.435 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 5 27.482 -0.184 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 5 26.019 -3.501 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 5 24.400 -2.984 -1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 5 25.227 -2.115 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 5 29.465 -1.605 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 5 28.443 -1.771 0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 5 28.433 -3.041 -0.331 1.00 0.00 H new ATOM 87 N LYS A 6 23.774 -1.704 1.443 1.00 0.00 N ATOM 88 CA LYS A 6 22.556 -2.228 2.045 1.00 0.00 C ATOM 89 C LYS A 6 21.612 -1.089 2.406 1.00 0.00 C ATOM 90 O LYS A 6 20.405 -1.285 2.548 1.00 0.00 O ATOM 91 CB LYS A 6 22.888 -3.048 3.293 1.00 0.00 C ATOM 92 CG LYS A 6 23.887 -4.165 3.038 1.00 0.00 C ATOM 93 CD LYS A 6 23.311 -5.226 2.115 1.00 0.00 C ATOM 94 CE LYS A 6 22.196 -6.006 2.794 1.00 0.00 C ATOM 95 NZ LYS A 6 20.849 -5.496 2.416 1.00 0.00 N ATOM 0 H LYS A 6 24.630 -1.953 1.938 1.00 0.00 H new ATOM 0 HA LYS A 6 22.064 -2.876 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.287 -2.383 4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.969 -3.478 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.793 -3.750 2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.174 -4.622 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.928 -4.754 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.101 -5.911 1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.274 -7.059 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.317 -5.944 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.216 -5.543 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.928 -4.510 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.460 -6.079 1.647 1.00 0.00 H new ATOM 109 N ALA A 7 22.176 0.106 2.550 1.00 0.00 N ATOM 110 CA ALA A 7 21.395 1.287 2.893 1.00 0.00 C ATOM 111 C ALA A 7 20.629 1.805 1.682 1.00 0.00 C ATOM 112 O ALA A 7 19.452 2.152 1.780 1.00 0.00 O ATOM 113 CB ALA A 7 22.304 2.374 3.447 1.00 0.00 C ATOM 0 H ALA A 7 23.174 0.281 2.434 1.00 0.00 H new ATOM 0 HA ALA A 7 20.671 1.007 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.709 3.252 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 7 22.807 2.007 4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 7 23.048 2.643 2.697 1.00 0.00 H new ATOM 119 N ILE A 8 21.307 1.853 0.543 1.00 0.00 N ATOM 120 CA ILE A 8 20.698 2.327 -0.693 1.00 0.00 C ATOM 121 C ILE A 8 19.637 1.352 -1.190 1.00 0.00 C ATOM 122 O ILE A 8 18.696 1.742 -1.882 1.00 0.00 O ATOM 123 CB ILE A 8 21.755 2.526 -1.794 1.00 0.00 C ATOM 124 CG1 ILE A 8 21.121 3.155 -3.036 1.00 0.00 C ATOM 125 CG2 ILE A 8 22.412 1.198 -2.140 1.00 0.00 C ATOM 126 CD1 ILE A 8 22.063 4.056 -3.804 1.00 0.00 C ATOM 0 H ILE A 8 22.282 1.569 0.449 1.00 0.00 H new ATOM 0 HA ILE A 8 20.229 3.286 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 8 22.523 3.204 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 8 20.770 2.362 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 8 20.245 3.730 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 8 23.157 1.353 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 8 22.895 0.789 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 8 21.655 0.499 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 8 21.547 4.467 -4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 8 22.394 4.870 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 8 22.928 3.481 -4.135 1.00 0.00 H new ATOM 138 N LYS A 9 19.792 0.083 -0.829 1.00 0.00 N ATOM 139 CA LYS A 9 18.843 -0.946 -1.235 1.00 0.00 C ATOM 140 C LYS A 9 17.558 -0.838 -0.424 1.00 0.00 C ATOM 141 O LYS A 9 16.460 -1.011 -0.953 1.00 0.00 O ATOM 142 CB LYS A 9 19.459 -2.335 -1.059 1.00 0.00 C ATOM 143 CG LYS A 9 20.950 -2.378 -1.349 1.00 0.00 C ATOM 144 CD LYS A 9 21.300 -3.508 -2.302 1.00 0.00 C ATOM 145 CE LYS A 9 22.521 -3.169 -3.142 1.00 0.00 C ATOM 146 NZ LYS A 9 22.143 -2.655 -4.487 1.00 0.00 N ATOM 0 H LYS A 9 20.565 -0.257 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 9 18.604 -0.797 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 9 19.286 -2.674 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.948 -3.037 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 9 21.266 -1.427 -1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.500 -2.504 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.489 -4.419 -1.734 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.452 -3.710 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.123 -2.422 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.143 -4.057 -3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 23.003 -2.435 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 21.590 -3.377 -4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.571 -1.793 -4.381 1.00 0.00 H new ATOM 160 N THR A 10 17.705 -0.544 0.862 1.00 0.00 N ATOM 161 CA THR A 10 16.558 -0.402 1.747 1.00 0.00 C ATOM 162 C THR A 10 15.746 0.831 1.364 1.00 0.00 C ATOM 163 O THR A 10 14.515 0.795 1.338 1.00 0.00 O ATOM 164 CB THR A 10 17.026 -0.333 3.211 1.00 0.00 C ATOM 165 OG1 THR A 10 16.709 -1.535 3.889 1.00 0.00 O ATOM 166 CG2 THR A 10 16.426 0.808 4.010 1.00 0.00 C ATOM 0 H THR A 10 18.608 -0.399 1.314 1.00 0.00 H new ATOM 0 HA THR A 10 15.912 -1.274 1.640 1.00 0.00 H new ATOM 0 HB THR A 10 18.102 -0.168 3.148 1.00 0.00 H new ATOM 0 HG1 THR A 10 17.014 -1.477 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 10 16.811 0.780 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 10 16.695 1.757 3.547 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.341 0.708 4.029 1.00 0.00 H new ATOM 174 N VAL A 11 16.445 1.917 1.054 1.00 0.00 N ATOM 175 CA VAL A 11 15.795 3.154 0.660 1.00 0.00 C ATOM 176 C VAL A 11 15.097 2.984 -0.680 1.00 0.00 C ATOM 177 O VAL A 11 13.951 3.400 -0.855 1.00 0.00 O ATOM 178 CB VAL A 11 16.803 4.309 0.563 1.00 0.00 C ATOM 179 CG1 VAL A 11 17.279 4.718 1.947 1.00 0.00 C ATOM 180 CG2 VAL A 11 17.977 3.922 -0.322 1.00 0.00 C ATOM 0 H VAL A 11 17.464 1.962 1.069 1.00 0.00 H new ATOM 0 HA VAL A 11 15.060 3.396 1.428 1.00 0.00 H new ATOM 0 HB VAL A 11 16.305 5.165 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 11 17.992 5.537 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.426 5.042 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.760 3.869 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 11 18.680 4.753 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 11 18.478 3.051 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 11 17.616 3.684 -1.322 1.00 0.00 H new ATOM 190 N GLY A 12 15.791 2.352 -1.619 1.00 0.00 N ATOM 191 CA GLY A 12 15.217 2.117 -2.927 1.00 0.00 C ATOM 192 C GLY A 12 13.982 1.250 -2.840 1.00 0.00 C ATOM 193 O GLY A 12 13.004 1.469 -3.555 1.00 0.00 O ATOM 0 H GLY A 12 16.740 1.999 -1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 12 14.962 3.070 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.956 1.637 -3.569 1.00 0.00 H new ATOM 197 N LYS A 13 14.023 0.269 -1.943 1.00 0.00 N ATOM 198 CA LYS A 13 12.895 -0.629 -1.743 1.00 0.00 C ATOM 199 C LYS A 13 11.780 0.097 -1.003 1.00 0.00 C ATOM 200 O LYS A 13 10.608 -0.268 -1.107 1.00 0.00 O ATOM 201 CB LYS A 13 13.331 -1.869 -0.959 1.00 0.00 C ATOM 202 CG LYS A 13 13.859 -2.990 -1.839 1.00 0.00 C ATOM 203 CD LYS A 13 12.812 -3.455 -2.838 1.00 0.00 C ATOM 204 CE LYS A 13 13.295 -4.660 -3.630 1.00 0.00 C ATOM 205 NZ LYS A 13 13.879 -4.265 -4.941 1.00 0.00 N ATOM 0 H LYS A 13 14.826 0.077 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 13 12.525 -0.950 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.104 -1.584 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.484 -2.240 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.746 -2.648 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.166 -3.829 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.892 -3.709 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.573 -2.641 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.041 -5.201 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.462 -5.344 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.196 -5.115 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.160 -3.771 -5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.690 -3.633 -4.784 1.00 0.00 H new ATOM 219 N ALA A 14 12.155 1.137 -0.263 1.00 0.00 N ATOM 220 CA ALA A 14 11.190 1.928 0.487 1.00 0.00 C ATOM 221 C ALA A 14 10.308 2.730 -0.459 1.00 0.00 C ATOM 222 O ALA A 14 9.081 2.656 -0.398 1.00 0.00 O ATOM 223 CB ALA A 14 11.905 2.854 1.459 1.00 0.00 C ATOM 0 H ALA A 14 13.121 1.450 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 14 10.556 1.249 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.170 3.439 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.497 2.262 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.561 3.526 0.906 1.00 0.00 H new ATOM 229 N VAL A 15 10.948 3.488 -1.341 1.00 0.00 N ATOM 230 CA VAL A 15 10.230 4.301 -2.313 1.00 0.00 C ATOM 231 C VAL A 15 9.327 3.430 -3.177 1.00 0.00 C ATOM 232 O VAL A 15 8.223 3.832 -3.546 1.00 0.00 O ATOM 233 CB VAL A 15 11.198 5.081 -3.222 1.00 0.00 C ATOM 234 CG1 VAL A 15 10.444 6.115 -4.043 1.00 0.00 C ATOM 235 CG2 VAL A 15 12.292 5.741 -2.395 1.00 0.00 C ATOM 0 H VAL A 15 11.964 3.556 -1.403 1.00 0.00 H new ATOM 0 HA VAL A 15 9.625 5.014 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 15 11.668 4.378 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.145 6.656 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.701 5.615 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.945 6.816 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.967 6.288 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.842 6.432 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.852 4.977 -1.856 1.00 0.00 H new ATOM 245 N GLY A 16 9.802 2.228 -3.488 1.00 0.00 N ATOM 246 CA GLY A 16 9.023 1.310 -4.297 1.00 0.00 C ATOM 247 C GLY A 16 7.797 0.809 -3.562 1.00 0.00 C ATOM 248 O GLY A 16 6.734 0.631 -4.158 1.00 0.00 O ATOM 0 H GLY A 16 10.712 1.874 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.716 1.808 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.645 0.463 -4.585 1.00 0.00 H new ATOM 252 N LYS A 17 7.946 0.589 -2.258 1.00 0.00 N ATOM 253 CA LYS A 17 6.844 0.116 -1.430 1.00 0.00 C ATOM 254 C LYS A 17 5.862 1.247 -1.156 1.00 0.00 C ATOM 255 O LYS A 17 4.658 1.023 -1.043 1.00 0.00 O ATOM 256 CB LYS A 17 7.374 -0.448 -0.111 1.00 0.00 C ATOM 257 CG LYS A 17 7.098 -1.931 0.075 1.00 0.00 C ATOM 258 CD LYS A 17 8.198 -2.601 0.881 1.00 0.00 C ATOM 259 CE LYS A 17 8.018 -4.109 0.926 1.00 0.00 C ATOM 260 NZ LYS A 17 8.632 -4.705 2.145 1.00 0.00 N ATOM 0 H LYS A 17 8.821 0.731 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 17 6.324 -0.677 -1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.450 -0.279 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.925 0.102 0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.141 -2.064 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.014 -2.412 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.167 -2.362 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.200 -2.204 1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.955 -4.349 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.467 -4.555 0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.488 -5.735 2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.651 -4.498 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.186 -4.299 2.992 1.00 0.00 H new ATOM 274 N GLY A 18 6.385 2.466 -1.061 1.00 0.00 N ATOM 275 CA GLY A 18 5.537 3.615 -0.815 1.00 0.00 C ATOM 276 C GLY A 18 4.550 3.830 -1.942 1.00 0.00 C ATOM 277 O GLY A 18 3.352 3.989 -1.709 1.00 0.00 O ATOM 0 H GLY A 18 7.379 2.677 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.996 3.475 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.155 4.505 -0.697 1.00 0.00 H new ATOM 281 N LEU A 19 5.056 3.818 -3.171 1.00 0.00 N ATOM 282 CA LEU A 19 4.214 3.995 -4.345 1.00 0.00 C ATOM 283 C LEU A 19 3.167 2.889 -4.406 1.00 0.00 C ATOM 284 O LEU A 19 1.970 3.147 -4.560 1.00 0.00 O ATOM 285 CB LEU A 19 5.073 3.990 -5.616 1.00 0.00 C ATOM 286 CG LEU A 19 4.434 3.329 -6.840 1.00 0.00 C ATOM 287 CD1 LEU A 19 4.754 4.115 -8.101 1.00 0.00 C ATOM 288 CD2 LEU A 19 4.906 1.888 -6.971 1.00 0.00 C ATOM 0 H LEU A 19 6.046 3.687 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 19 3.704 4.956 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.322 5.020 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.011 3.480 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 19 3.352 3.327 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.291 3.629 -8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.367 5.129 -8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.834 4.151 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.443 1.432 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.990 1.869 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.623 1.330 -6.078 1.00 0.00 H new ATOM 300 N ARG A 20 3.626 1.652 -4.271 1.00 0.00 N ATOM 301 CA ARG A 20 2.726 0.513 -4.301 1.00 0.00 C ATOM 302 C ARG A 20 1.727 0.613 -3.161 1.00 0.00 C ATOM 303 O ARG A 20 0.573 0.204 -3.293 1.00 0.00 O ATOM 304 CB ARG A 20 3.502 -0.801 -4.209 1.00 0.00 C ATOM 305 CG ARG A 20 2.708 -2.002 -4.696 1.00 0.00 C ATOM 306 CD ARG A 20 2.074 -1.735 -6.052 1.00 0.00 C ATOM 307 NE ARG A 20 3.075 -1.409 -7.063 1.00 0.00 N ATOM 308 CZ ARG A 20 2.803 -1.271 -8.357 1.00 0.00 C ATOM 309 NH1 ARG A 20 1.564 -1.435 -8.798 1.00 0.00 N ATOM 310 NH2 ARG A 20 3.771 -0.968 -9.210 1.00 0.00 N ATOM 0 H ARG A 20 4.610 1.415 -4.141 1.00 0.00 H new ATOM 0 HA ARG A 20 2.190 0.524 -5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.417 -0.717 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.801 -0.967 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.363 -2.870 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.931 -2.245 -3.971 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.510 -2.612 -6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.363 -0.913 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 20 4.040 -1.279 -6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.817 -1.668 -8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.358 -1.329 -9.791 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.726 -0.841 -8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.561 -0.862 -10.203 1.00 0.00 H new ATOM 324 N ALA A 21 2.175 1.178 -2.045 1.00 0.00 N ATOM 325 CA ALA A 21 1.314 1.353 -0.888 1.00 0.00 C ATOM 326 C ALA A 21 0.119 2.211 -1.266 1.00 0.00 C ATOM 327 O ALA A 21 -0.986 2.012 -0.767 1.00 0.00 O ATOM 328 CB ALA A 21 2.086 1.977 0.264 1.00 0.00 C ATOM 0 H ALA A 21 3.128 1.521 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 21 0.956 0.377 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.424 2.100 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.918 1.328 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.470 2.951 -0.040 1.00 0.00 H new ATOM 334 N ILE A 22 0.341 3.150 -2.177 1.00 0.00 N ATOM 335 CA ILE A 22 -0.732 4.007 -2.645 1.00 0.00 C ATOM 336 C ILE A 22 -1.658 3.193 -3.533 1.00 0.00 C ATOM 337 O ILE A 22 -2.842 3.499 -3.670 1.00 0.00 O ATOM 338 CB ILE A 22 -0.197 5.226 -3.427 1.00 0.00 C ATOM 339 CG1 ILE A 22 0.425 6.242 -2.467 1.00 0.00 C ATOM 340 CG2 ILE A 22 -1.309 5.874 -4.239 1.00 0.00 C ATOM 341 CD1 ILE A 22 1.784 6.740 -2.909 1.00 0.00 C ATOM 0 H ILE A 22 1.250 3.334 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.270 4.388 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 22 0.573 4.881 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.249 7.093 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.517 5.788 -1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.911 6.731 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.711 5.150 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.102 6.206 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.163 7.457 -2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.473 5.899 -2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.696 7.224 -3.882 1.00 0.00 H new ATOM 353 N ASN A 23 -1.099 2.137 -4.122 1.00 0.00 N ATOM 354 CA ASN A 23 -1.859 1.250 -4.987 1.00 0.00 C ATOM 355 C ASN A 23 -2.808 0.401 -4.164 1.00 0.00 C ATOM 356 O ASN A 23 -4.029 0.513 -4.281 1.00 0.00 O ATOM 357 CB ASN A 23 -0.894 0.374 -5.796 1.00 0.00 C ATOM 358 CG ASN A 23 -1.068 -1.123 -5.581 1.00 0.00 C ATOM 359 OD1 ASN A 23 -0.237 -1.699 -4.720 1.00 0.00 O flip ATOM 360 ND2 ASN A 23 -1.940 -1.751 -6.182 1.00 0.00 N flip ATOM 0 H ASN A 23 -0.118 1.878 -4.012 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.457 1.842 -5.681 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.026 0.594 -6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.129 0.649 -5.538 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.557 -1.269 -6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.045 -2.754 -6.027 1.00 0.00 H new ATOM 367 N ILE A 24 -2.233 -0.430 -3.315 1.00 0.00 N ATOM 368 CA ILE A 24 -3.015 -1.279 -2.450 1.00 0.00 C ATOM 369 C ILE A 24 -3.975 -0.411 -1.664 1.00 0.00 C ATOM 370 O ILE A 24 -5.012 -0.872 -1.186 1.00 0.00 O ATOM 371 CB ILE A 24 -2.124 -2.076 -1.484 1.00 0.00 C ATOM 372 CG1 ILE A 24 -1.173 -1.136 -0.746 1.00 0.00 C ATOM 373 CG2 ILE A 24 -1.346 -3.144 -2.237 1.00 0.00 C ATOM 374 CD1 ILE A 24 -1.836 -0.383 0.383 1.00 0.00 C ATOM 0 H ILE A 24 -1.224 -0.532 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.560 -1.998 -3.062 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.760 -2.571 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.338 -1.713 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.756 -0.421 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.720 -3.699 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.043 -3.828 -2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.717 -2.672 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.106 0.267 0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.653 0.220 -0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.228 -1.092 1.112 1.00 0.00 H new ATOM 386 N ALA A 25 -3.621 0.867 -1.558 1.00 0.00 N ATOM 387 CA ALA A 25 -4.444 1.824 -0.861 1.00 0.00 C ATOM 388 C ALA A 25 -5.537 2.324 -1.790 1.00 0.00 C ATOM 389 O ALA A 25 -6.636 2.663 -1.353 1.00 0.00 O ATOM 390 CB ALA A 25 -3.603 2.980 -0.340 1.00 0.00 C ATOM 0 H ALA A 25 -2.764 1.255 -1.951 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.906 1.338 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.244 3.690 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.847 2.599 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.114 3.480 -1.176 1.00 0.00 H new ATOM 396 N SER A 26 -5.227 2.348 -3.087 1.00 0.00 N ATOM 397 CA SER A 26 -6.190 2.786 -4.088 1.00 0.00 C ATOM 398 C SER A 26 -7.235 1.702 -4.311 1.00 0.00 C ATOM 399 O SER A 26 -8.394 1.990 -4.612 1.00 0.00 O ATOM 400 CB SER A 26 -5.487 3.118 -5.405 1.00 0.00 C ATOM 401 OG SER A 26 -5.303 4.516 -5.549 1.00 0.00 O ATOM 0 H SER A 26 -4.321 2.070 -3.464 1.00 0.00 H new ATOM 0 HA SER A 26 -6.682 3.688 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.520 2.616 -5.441 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.075 2.738 -6.240 1.00 0.00 H new ATOM 0 HG SER A 26 -4.850 4.701 -6.398 1.00 0.00 H new ATOM 407 N THR A 27 -6.817 0.451 -4.148 1.00 0.00 N ATOM 408 CA THR A 27 -7.717 -0.681 -4.316 1.00 0.00 C ATOM 409 C THR A 27 -8.708 -0.738 -3.163 1.00 0.00 C ATOM 410 O THR A 27 -9.897 -0.990 -3.361 1.00 0.00 O ATOM 411 CB THR A 27 -6.925 -1.988 -4.391 1.00 0.00 C ATOM 412 OG1 THR A 27 -5.806 -1.848 -5.247 1.00 0.00 O ATOM 413 CG2 THR A 27 -7.745 -3.155 -4.894 1.00 0.00 C ATOM 0 H THR A 27 -5.861 0.197 -3.900 1.00 0.00 H new ATOM 0 HA THR A 27 -8.265 -0.552 -5.249 1.00 0.00 H new ATOM 0 HB THR A 27 -6.614 -2.197 -3.367 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.312 -2.694 -5.280 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.124 -4.050 -4.923 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.590 -3.321 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.113 -2.936 -5.896 1.00 0.00 H new ATOM 421 N ALA A 28 -8.208 -0.490 -1.957 1.00 0.00 N ATOM 422 CA ALA A 28 -9.047 -0.500 -0.768 1.00 0.00 C ATOM 423 C ALA A 28 -10.198 0.487 -0.916 1.00 0.00 C ATOM 424 O ALA A 28 -11.272 0.293 -0.348 1.00 0.00 O ATOM 425 CB ALA A 28 -8.218 -0.171 0.465 1.00 0.00 C ATOM 0 H ALA A 28 -7.226 -0.280 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.467 -1.499 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.858 -0.182 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.428 -0.913 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.774 0.818 0.351 1.00 0.00 H new ATOM 431 N ASN A 29 -9.967 1.546 -1.688 1.00 0.00 N ATOM 432 CA ASN A 29 -10.989 2.560 -1.914 1.00 0.00 C ATOM 433 C ASN A 29 -12.250 1.928 -2.488 1.00 0.00 C ATOM 434 O ASN A 29 -13.276 1.837 -1.813 1.00 0.00 O ATOM 435 CB ASN A 29 -10.469 3.642 -2.863 1.00 0.00 C ATOM 436 CG ASN A 29 -9.155 4.242 -2.397 1.00 0.00 C ATOM 437 OD1 ASN A 29 -8.387 4.775 -3.198 1.00 0.00 O ATOM 438 ND2 ASN A 29 -8.889 4.161 -1.098 1.00 0.00 N ATOM 0 H ASN A 29 -9.083 1.723 -2.166 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.231 3.019 -0.956 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.337 3.216 -3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.215 4.432 -2.951 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.020 4.549 -0.730 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.553 3.711 -0.469 1.00 0.00 H new ATOM 445 N ASP A 30 -12.164 1.487 -3.736 1.00 0.00 N ATOM 446 CA ASP A 30 -13.296 0.856 -4.402 1.00 0.00 C ATOM 447 C ASP A 30 -13.893 -0.233 -3.519 1.00 0.00 C ATOM 448 O ASP A 30 -15.106 -0.434 -3.499 1.00 0.00 O ATOM 449 CB ASP A 30 -12.866 0.264 -5.745 1.00 0.00 C ATOM 450 CG ASP A 30 -13.977 0.305 -6.776 1.00 0.00 C ATOM 451 OD1 ASP A 30 -15.159 0.228 -6.379 1.00 0.00 O ATOM 452 OD2 ASP A 30 -13.666 0.414 -7.981 1.00 0.00 O ATOM 0 H ASP A 30 -11.322 1.555 -4.308 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.055 1.617 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.004 0.814 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.547 -0.768 -5.599 1.00 0.00 H new ATOM 457 N VAL A 31 -13.031 -0.926 -2.783 1.00 0.00 N ATOM 458 CA VAL A 31 -13.475 -1.987 -1.889 1.00 0.00 C ATOM 459 C VAL A 31 -14.343 -1.418 -0.776 1.00 0.00 C ATOM 460 O VAL A 31 -15.408 -1.952 -0.466 1.00 0.00 O ATOM 461 CB VAL A 31 -12.284 -2.737 -1.264 1.00 0.00 C ATOM 462 CG1 VAL A 31 -12.766 -3.938 -0.465 1.00 0.00 C ATOM 463 CG2 VAL A 31 -11.297 -3.164 -2.340 1.00 0.00 C ATOM 0 H VAL A 31 -12.023 -0.772 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 31 -14.055 -2.690 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.771 -2.059 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.909 -4.454 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.429 -3.602 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.306 -4.620 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.462 -3.692 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.796 -3.823 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.925 -2.283 -2.862 1.00 0.00 H new ATOM 473 N PHE A 32 -13.880 -0.323 -0.185 1.00 0.00 N ATOM 474 CA PHE A 32 -14.610 0.336 0.890 1.00 0.00 C ATOM 475 C PHE A 32 -16.039 0.640 0.455 1.00 0.00 C ATOM 476 O PHE A 32 -16.965 0.617 1.264 1.00 0.00 O ATOM 477 CB PHE A 32 -13.899 1.628 1.297 1.00 0.00 C ATOM 478 CG PHE A 32 -14.758 2.557 2.106 1.00 0.00 C ATOM 479 CD1 PHE A 32 -15.793 3.260 1.512 1.00 0.00 C ATOM 480 CD2 PHE A 32 -14.528 2.726 3.462 1.00 0.00 C ATOM 481 CE1 PHE A 32 -16.584 4.116 2.255 1.00 0.00 C ATOM 482 CE2 PHE A 32 -15.314 3.580 4.210 1.00 0.00 C ATOM 483 CZ PHE A 32 -16.344 4.276 3.606 1.00 0.00 C ATOM 0 H PHE A 32 -13.000 0.128 -0.433 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.642 -0.335 1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.008 1.377 1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.563 2.147 0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -15.984 3.138 0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -13.725 2.184 3.939 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -17.388 4.659 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -15.124 3.704 5.266 1.00 0.00 H new ATOM 0 HZ PHE A 32 -16.960 4.944 4.189 1.00 0.00 H new ATOM 493 N ASN A 33 -16.207 0.918 -0.834 1.00 0.00 N ATOM 494 CA ASN A 33 -17.521 1.220 -1.387 1.00 0.00 C ATOM 495 C ASN A 33 -18.330 -0.058 -1.578 1.00 0.00 C ATOM 496 O ASN A 33 -19.534 -0.089 -1.322 1.00 0.00 O ATOM 497 CB ASN A 33 -17.379 1.950 -2.725 1.00 0.00 C ATOM 498 CG ASN A 33 -17.675 3.433 -2.614 1.00 0.00 C ATOM 499 OD1 ASN A 33 -17.407 4.057 -1.587 1.00 0.00 O ATOM 500 ND2 ASN A 33 -18.232 4.004 -3.675 1.00 0.00 N ATOM 0 H ASN A 33 -15.448 0.940 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 33 -18.047 1.865 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.366 1.813 -3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -18.055 1.502 -3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -18.455 4.999 -3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -18.437 3.448 -4.505 1.00 0.00 H new ATOM 507 N PHE A 34 -17.657 -1.111 -2.030 1.00 0.00 N ATOM 508 CA PHE A 34 -18.307 -2.397 -2.259 1.00 0.00 C ATOM 509 C PHE A 34 -18.716 -3.042 -0.938 1.00 0.00 C ATOM 510 O PHE A 34 -19.480 -4.008 -0.919 1.00 0.00 O ATOM 511 CB PHE A 34 -17.376 -3.333 -3.032 1.00 0.00 C ATOM 512 CG PHE A 34 -17.998 -4.661 -3.363 1.00 0.00 C ATOM 513 CD1 PHE A 34 -18.873 -4.785 -4.431 1.00 0.00 C ATOM 514 CD2 PHE A 34 -17.707 -5.784 -2.605 1.00 0.00 C ATOM 515 CE1 PHE A 34 -19.446 -6.005 -4.736 1.00 0.00 C ATOM 516 CE2 PHE A 34 -18.277 -7.007 -2.906 1.00 0.00 C ATOM 517 CZ PHE A 34 -19.148 -7.117 -3.972 1.00 0.00 C ATOM 0 H PHE A 34 -16.660 -1.099 -2.245 1.00 0.00 H new ATOM 0 HA PHE A 34 -19.206 -2.222 -2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -17.069 -2.844 -3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -16.473 -3.500 -2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -19.109 -3.919 -5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -17.027 -5.703 -1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -20.126 -6.089 -5.571 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -18.041 -7.875 -2.308 1.00 0.00 H new ATOM 0 HZ PHE A 34 -19.596 -8.071 -4.208 1.00 0.00 H new ATOM 527 N LEU A 35 -18.209 -2.500 0.164 1.00 0.00 N ATOM 528 CA LEU A 35 -18.530 -3.021 1.488 1.00 0.00 C ATOM 529 C LEU A 35 -19.725 -2.283 2.087 1.00 0.00 C ATOM 530 O LEU A 35 -20.096 -2.511 3.238 1.00 0.00 O ATOM 531 CB LEU A 35 -17.320 -2.895 2.419 1.00 0.00 C ATOM 532 CG LEU A 35 -17.548 -3.395 3.847 1.00 0.00 C ATOM 533 CD1 LEU A 35 -18.020 -4.841 3.837 1.00 0.00 C ATOM 534 CD2 LEU A 35 -16.278 -3.254 4.673 1.00 0.00 C ATOM 0 H LEU A 35 -17.575 -1.701 0.167 1.00 0.00 H new ATOM 0 HA LEU A 35 -18.789 -4.074 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.487 -3.449 1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -17.020 -1.848 2.460 1.00 0.00 H new ATOM 0 HG LEU A 35 -18.325 -2.782 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.177 -5.180 4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.956 -4.914 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -17.266 -5.467 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.460 -3.615 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.480 -3.840 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.982 -2.206 4.709 1.00 0.00 H new ATOM 546 N LYS A 36 -20.325 -1.396 1.297 1.00 0.00 N ATOM 547 CA LYS A 36 -21.476 -0.623 1.746 1.00 0.00 C ATOM 548 C LYS A 36 -22.684 -0.882 0.853 1.00 0.00 C ATOM 549 O LYS A 36 -23.084 -0.022 0.068 1.00 0.00 O ATOM 550 CB LYS A 36 -21.142 0.869 1.747 1.00 0.00 C ATOM 551 CG LYS A 36 -20.854 1.430 3.130 1.00 0.00 C ATOM 552 CD LYS A 36 -19.477 1.015 3.622 1.00 0.00 C ATOM 553 CE LYS A 36 -18.867 2.074 4.526 1.00 0.00 C ATOM 554 NZ LYS A 36 -19.549 2.136 5.848 1.00 0.00 N ATOM 0 H LYS A 36 -20.031 -1.196 0.341 1.00 0.00 H new ATOM 0 HA LYS A 36 -21.721 -0.936 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -20.275 1.039 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -21.974 1.419 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -20.920 2.518 3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -21.613 1.081 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.552 0.072 4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.821 0.842 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.809 1.859 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.930 3.047 4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.103 2.870 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.554 2.366 5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.467 1.215 6.324 1.00 0.00 H new ATOM 568 N PRO A 37 -23.283 -2.075 0.966 1.00 0.00 N ATOM 569 CA PRO A 37 -24.454 -2.454 0.172 1.00 0.00 C ATOM 570 C PRO A 37 -25.560 -1.407 0.245 1.00 0.00 C ATOM 571 O PRO A 37 -25.535 -0.524 1.101 1.00 0.00 O ATOM 572 CB PRO A 37 -24.920 -3.775 0.806 1.00 0.00 C ATOM 573 CG PRO A 37 -24.151 -3.905 2.081 1.00 0.00 C ATOM 574 CD PRO A 37 -22.872 -3.146 1.876 1.00 0.00 C ATOM 0 HA PRO A 37 -24.212 -2.545 -0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -25.993 -3.761 0.996 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -24.724 -4.618 0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -24.716 -3.498 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -23.950 -4.952 2.310 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -22.478 -2.753 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -22.093 -3.772 1.441 1.00 0.00 H new ATOM 582 N LYS A 38 -26.529 -1.511 -0.659 1.00 0.00 N ATOM 583 CA LYS A 38 -27.642 -0.569 -0.694 1.00 0.00 C ATOM 584 C LYS A 38 -28.236 -0.375 0.698 1.00 0.00 C ATOM 585 O LYS A 38 -28.785 0.682 1.007 1.00 0.00 O ATOM 586 CB LYS A 38 -28.723 -1.058 -1.659 1.00 0.00 C ATOM 587 CG LYS A 38 -29.308 0.046 -2.526 1.00 0.00 C ATOM 588 CD LYS A 38 -28.307 0.530 -3.563 1.00 0.00 C ATOM 589 CE LYS A 38 -28.372 2.039 -3.740 1.00 0.00 C ATOM 590 NZ LYS A 38 -27.338 2.530 -4.693 1.00 0.00 N ATOM 0 H LYS A 38 -26.566 -2.236 -1.375 1.00 0.00 H new ATOM 0 HA LYS A 38 -27.261 0.391 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -28.302 -1.830 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -29.526 -1.523 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -30.204 -0.320 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -29.613 0.881 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -27.300 0.241 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -28.506 0.042 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -29.361 2.320 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -28.235 2.524 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -27.415 3.563 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -26.393 2.284 -4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -27.484 2.086 -5.622 1.00 0.00 H new ATOM 604 N LYS A 39 -28.124 -1.403 1.533 1.00 0.00 N ATOM 605 CA LYS A 39 -28.651 -1.346 2.891 1.00 0.00 C ATOM 606 C LYS A 39 -27.521 -1.236 3.910 1.00 0.00 C ATOM 607 O LYS A 39 -27.521 -1.926 4.929 1.00 0.00 O ATOM 608 CB LYS A 39 -29.497 -2.586 3.184 1.00 0.00 C ATOM 609 CG LYS A 39 -28.824 -3.887 2.781 1.00 0.00 C ATOM 610 CD LYS A 39 -29.400 -4.435 1.486 1.00 0.00 C ATOM 611 CE LYS A 39 -28.496 -5.496 0.881 1.00 0.00 C ATOM 612 NZ LYS A 39 -29.090 -6.103 -0.343 1.00 0.00 N ATOM 0 H LYS A 39 -27.673 -2.286 1.293 1.00 0.00 H new ATOM 0 HA LYS A 39 -29.278 -0.458 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -29.724 -2.618 4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -30.448 -2.500 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -27.753 -3.722 2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -28.948 -4.623 3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -30.386 -4.860 1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -29.536 -3.621 0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -27.531 -5.053 0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -28.309 -6.276 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -28.442 -6.821 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -29.999 -6.549 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -29.245 -5.363 -1.057 1.00 0.00 H new ATOM 626 N ARG A 40 -26.559 -0.364 3.627 1.00 0.00 N ATOM 627 CA ARG A 40 -25.422 -0.165 4.520 1.00 0.00 C ATOM 628 C ARG A 40 -25.869 0.425 5.853 1.00 0.00 C ATOM 629 O ARG A 40 -26.346 1.558 5.913 1.00 0.00 O ATOM 630 CB ARG A 40 -24.388 0.755 3.866 1.00 0.00 C ATOM 631 CG ARG A 40 -24.890 2.172 3.643 1.00 0.00 C ATOM 632 CD ARG A 40 -24.071 2.892 2.585 1.00 0.00 C ATOM 633 NE ARG A 40 -24.320 4.331 2.586 1.00 0.00 N ATOM 634 CZ ARG A 40 -23.954 5.142 3.573 1.00 0.00 C ATOM 635 NH1 ARG A 40 -23.326 4.656 4.635 1.00 0.00 N ATOM 636 NH2 ARG A 40 -24.215 6.441 3.500 1.00 0.00 N ATOM 0 H ARG A 40 -26.543 0.216 2.788 1.00 0.00 H new ATOM 0 HA ARG A 40 -24.969 -1.138 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -23.496 0.789 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -24.089 0.329 2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -25.936 2.145 3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -24.845 2.727 4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -23.011 2.707 2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -24.308 2.484 1.603 1.00 0.00 H new ATOM 0 HE ARG A 40 -24.802 4.736 1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -23.123 3.658 4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.046 5.280 5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -24.698 6.819 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.933 7.061 4.259 1.00 0.00 H new ATOM 650 N LYS A 41 -25.710 -0.350 6.922 1.00 0.00 N ATOM 651 CA LYS A 41 -26.096 0.100 8.254 1.00 0.00 C ATOM 652 C LYS A 41 -25.002 0.967 8.869 1.00 0.00 C ATOM 653 O LYS A 41 -23.949 1.173 8.266 1.00 0.00 O ATOM 654 CB LYS A 41 -26.382 -1.100 9.161 1.00 0.00 C ATOM 655 CG LYS A 41 -26.867 -2.330 8.412 1.00 0.00 C ATOM 656 CD LYS A 41 -28.160 -2.870 9.002 1.00 0.00 C ATOM 657 CE LYS A 41 -29.020 -3.541 7.943 1.00 0.00 C ATOM 658 NZ LYS A 41 -29.998 -4.490 8.542 1.00 0.00 N ATOM 0 H LYS A 41 -25.317 -1.291 6.891 1.00 0.00 H new ATOM 0 HA LYS A 41 -27.003 0.698 8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -25.475 -1.354 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -27.132 -0.816 9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -27.022 -2.080 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -26.100 -3.104 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -27.930 -3.585 9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -28.719 -2.055 9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -29.554 -2.780 7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -28.380 -4.075 7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -30.565 -4.927 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -29.488 -5.231 9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -30.625 -3.977 9.193 1.00 0.00 H new ATOM 672 N ALA A 42 -25.259 1.475 10.070 1.00 0.00 N ATOM 673 CA ALA A 42 -24.293 2.321 10.760 1.00 0.00 C ATOM 674 C ALA A 42 -24.291 3.732 10.181 1.00 0.00 C ATOM 675 O ALA A 42 -25.136 4.012 9.306 1.00 0.00 O ATOM 676 CB ALA A 42 -22.902 1.711 10.674 1.00 0.00 C ATOM 677 OXT ALA A 42 -23.442 4.544 10.605 1.00 0.00 O ATOM 0 H ALA A 42 -26.126 1.316 10.584 1.00 0.00 H new ATOM 0 HA ALA A 42 -24.585 2.386 11.808 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -22.190 2.353 11.193 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -22.908 0.725 11.139 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -22.610 1.617 9.628 1.00 0.00 H new TER 683 ALA A 42