USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 630 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 SER N :NH3+ 142:sc= 1.26 (180deg=0.103) USER MOD Single : A 1 SER OG : rot -173:sc= 0.769 USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 1.69 (180deg=1.35) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -99:sc= 1.2 USER MOD Single : A 8 THR OG1 : rot -60:sc= 0.373 USER MOD Single : A 9 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.6) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.049) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.107 F(o=-0.67,f=-0.11) USER MOD Single : A 20 TYR OH : rot -102:sc= 1.02 USER MOD Single : A 23 SER OG : rot 99:sc= 0.642 USER MOD Single : A 24 THR OG1 : rot -85:sc= 1.73 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 57:sc= 1.13 USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= -0.149 (180deg=-0.573) USER MOD Single : A 50 ASN : amide:sc= -0.298 X(o=-0.3,f=-4.3e-05) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -0.0467 (180deg=-0.298) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 1.3 (180deg=0.892) USER MOD Single : A 59 LYS NZ :NH3+ -147:sc= 1.85 (180deg=1.23) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= 0.681 (180deg=0.0211) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.909 22.830 11.097 1.00 15.00 N ATOM 2 CA SER A 1 6.434 21.623 10.476 1.00 15.00 C ATOM 3 C SER A 1 7.528 21.203 9.509 1.00 15.00 C ATOM 4 O SER A 1 8.434 22.014 9.227 1.00 15.00 O ATOM 5 CB SER A 1 5.129 21.934 9.710 1.00 15.00 C ATOM 6 OG SER A 1 4.544 20.770 9.170 1.00 15.00 O ATOM 0 H1 SER A 1 6.115 23.489 11.228 1.00 15.00 H new ATOM 0 H2 SER A 1 7.327 22.603 12.022 1.00 15.00 H new ATOM 0 H3 SER A 1 7.629 23.272 10.491 1.00 15.00 H new ATOM 0 HA SER A 1 6.222 20.835 11.198 1.00 15.00 H new ATOM 0 HB2 SER A 1 4.420 22.418 10.382 1.00 15.00 H new ATOM 0 HB3 SER A 1 5.339 22.640 8.907 1.00 15.00 H new ATOM 0 HG SER A 1 3.787 21.019 8.599 1.00 15.00 H new ATOM 12 N LYS A 2 7.490 20.008 8.984 1.00 15.00 N ATOM 13 CA LYS A 2 8.330 19.630 7.892 1.00 15.00 C ATOM 14 C LYS A 2 7.385 18.928 7.035 1.00 15.00 C ATOM 15 O LYS A 2 6.578 18.184 7.563 1.00 15.00 O ATOM 16 CB LYS A 2 9.427 18.618 8.257 1.00 15.00 C ATOM 17 CG LYS A 2 10.551 19.072 9.168 1.00 15.00 C ATOM 18 CD LYS A 2 11.510 17.904 9.334 1.00 15.00 C ATOM 19 CE LYS A 2 12.651 18.172 10.286 1.00 15.00 C ATOM 20 NZ LYS A 2 13.371 16.915 10.579 1.00 15.00 N ATOM 0 H LYS A 2 6.868 19.267 9.308 1.00 15.00 H new ATOM 0 HA LYS A 2 8.848 20.497 7.483 1.00 15.00 H new ATOM 0 HB2 LYS A 2 8.945 17.760 8.726 1.00 15.00 H new ATOM 0 HB3 LYS A 2 9.874 18.264 7.328 1.00 15.00 H new ATOM 0 HG2 LYS A 2 11.066 19.932 8.741 1.00 15.00 H new ATOM 0 HG3 LYS A 2 10.157 19.384 10.135 1.00 15.00 H new ATOM 0 HD2 LYS A 2 10.952 17.037 9.688 1.00 15.00 H new ATOM 0 HD3 LYS A 2 11.919 17.643 8.358 1.00 15.00 H new ATOM 0 HE2 LYS A 2 13.336 18.900 9.850 1.00 15.00 H new ATOM 0 HE3 LYS A 2 12.270 18.606 11.210 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 14.054 17.077 11.347 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 12.690 16.185 10.869 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 13.877 16.598 9.727 1.00 15.00 H new ATOM 34 N TRP A 3 7.403 19.140 5.788 1.00 15.00 N ATOM 35 CA TRP A 3 6.501 18.388 4.958 1.00 15.00 C ATOM 36 C TRP A 3 7.406 17.722 3.944 1.00 15.00 C ATOM 37 O TRP A 3 7.952 18.352 3.037 1.00 15.00 O ATOM 38 CB TRP A 3 5.348 19.232 4.434 1.00 15.00 C ATOM 39 CG TRP A 3 4.227 18.532 3.743 1.00 15.00 C ATOM 40 CD1 TRP A 3 3.117 18.028 4.335 1.00 15.00 C ATOM 41 CD2 TRP A 3 4.067 18.310 2.334 1.00 15.00 C ATOM 42 NE1 TRP A 3 2.277 17.508 3.394 1.00 15.00 N ATOM 43 CE2 TRP A 3 2.840 17.657 2.157 1.00 15.00 C ATOM 44 CE3 TRP A 3 4.842 18.590 1.210 1.00 15.00 C ATOM 45 CZ2 TRP A 3 2.362 17.284 0.904 1.00 15.00 C ATOM 46 CZ3 TRP A 3 4.370 18.218 -0.034 1.00 15.00 C ATOM 47 CH2 TRP A 3 3.140 17.571 -0.177 1.00 15.00 C ATOM 0 H TRP A 3 8.007 19.805 5.305 1.00 15.00 H new ATOM 0 HA TRP A 3 5.937 17.619 5.485 1.00 15.00 H new ATOM 0 HB2 TRP A 3 4.929 19.784 5.275 1.00 15.00 H new ATOM 0 HB3 TRP A 3 5.759 19.967 3.743 1.00 15.00 H new ATOM 0 HD1 TRP A 3 2.925 18.037 5.398 1.00 15.00 H new ATOM 0 HE1 TRP A 3 1.372 17.076 3.583 1.00 15.00 H new ATOM 0 HE3 TRP A 3 5.795 19.089 1.310 1.00 15.00 H new ATOM 0 HZ2 TRP A 3 1.410 16.786 0.793 1.00 15.00 H new ATOM 0 HZ3 TRP A 3 4.962 18.431 -0.912 1.00 15.00 H new ATOM 0 HH2 TRP A 3 2.799 17.293 -1.163 1.00 15.00 H new ATOM 58 N ILE A 4 7.626 16.452 4.222 1.00 15.00 N ATOM 59 CA ILE A 4 8.529 15.582 3.520 1.00 15.00 C ATOM 60 C ILE A 4 7.738 14.426 2.937 1.00 15.00 C ATOM 61 O ILE A 4 6.509 14.370 3.096 1.00 15.00 O ATOM 62 CB ILE A 4 9.650 15.022 4.469 1.00 15.00 C ATOM 63 CG1 ILE A 4 9.069 14.066 5.520 1.00 15.00 C ATOM 64 CG2 ILE A 4 10.401 16.172 5.146 1.00 15.00 C ATOM 65 CD1 ILE A 4 10.101 13.387 6.393 1.00 15.00 C ATOM 0 H ILE A 4 7.148 15.979 4.989 1.00 15.00 H new ATOM 0 HA ILE A 4 9.016 16.154 2.730 1.00 15.00 H new ATOM 0 HB ILE A 4 10.353 14.456 3.858 1.00 15.00 H new ATOM 0 HG12 ILE A 4 8.382 14.622 6.158 1.00 15.00 H new ATOM 0 HG13 ILE A 4 8.483 13.301 5.011 1.00 15.00 H new ATOM 0 HG21 ILE A 4 11.174 15.767 5.800 1.00 15.00 H new ATOM 0 HG22 ILE A 4 10.862 16.803 4.386 1.00 15.00 H new ATOM 0 HG23 ILE A 4 9.702 16.766 5.735 1.00 15.00 H new ATOM 0 HD11 ILE A 4 9.600 12.731 7.105 1.00 15.00 H new ATOM 0 HD12 ILE A 4 10.775 12.799 5.770 1.00 15.00 H new ATOM 0 HD13 ILE A 4 10.673 14.141 6.934 1.00 15.00 H new ATOM 77 N LYS A 5 8.418 13.509 2.306 1.00 15.00 N ATOM 78 CA LYS A 5 7.830 12.418 1.579 1.00 15.00 C ATOM 79 C LYS A 5 8.652 11.185 2.026 1.00 15.00 C ATOM 80 O LYS A 5 9.566 11.370 2.847 1.00 15.00 O ATOM 81 CB LYS A 5 7.950 12.722 0.063 1.00 15.00 C ATOM 82 CG LYS A 5 7.187 11.794 -0.882 1.00 15.00 C ATOM 83 CD LYS A 5 7.392 12.207 -2.323 1.00 15.00 C ATOM 84 CE LYS A 5 6.676 11.268 -3.280 1.00 15.00 C ATOM 85 NZ LYS A 5 6.956 11.591 -4.700 1.00 15.00 N ATOM 0 H LYS A 5 9.438 13.501 2.283 1.00 15.00 H new ATOM 0 HA LYS A 5 6.770 12.253 1.769 1.00 15.00 H new ATOM 0 HB2 LYS A 5 7.605 13.742 -0.109 1.00 15.00 H new ATOM 0 HB3 LYS A 5 9.005 12.692 -0.208 1.00 15.00 H new ATOM 0 HG2 LYS A 5 7.525 10.767 -0.742 1.00 15.00 H new ATOM 0 HG3 LYS A 5 6.124 11.816 -0.641 1.00 15.00 H new ATOM 0 HD2 LYS A 5 7.025 13.223 -2.467 1.00 15.00 H new ATOM 0 HD3 LYS A 5 8.458 12.217 -2.551 1.00 15.00 H new ATOM 0 HE2 LYS A 5 6.982 10.242 -3.076 1.00 15.00 H new ATOM 0 HE3 LYS A 5 5.602 11.321 -3.102 1.00 15.00 H new ATOM 0 HZ1 LYS A 5 6.447 10.924 -5.315 1.00 15.00 H new ATOM 0 HZ2 LYS A 5 6.640 12.561 -4.904 1.00 15.00 H new ATOM 0 HZ3 LYS A 5 7.978 11.515 -4.878 1.00 15.00 H new ATOM 99 N PHE A 6 8.400 9.977 1.447 1.00 15.00 N ATOM 100 CA PHE A 6 9.034 8.711 1.984 1.00 15.00 C ATOM 101 C PHE A 6 8.396 7.451 1.316 1.00 15.00 C ATOM 102 O PHE A 6 8.016 7.478 0.134 1.00 15.00 O ATOM 103 CB PHE A 6 9.002 8.669 3.555 1.00 15.00 C ATOM 104 CG PHE A 6 9.932 7.679 4.223 1.00 15.00 C ATOM 105 CD1 PHE A 6 11.300 7.754 4.017 1.00 15.00 C ATOM 106 CD2 PHE A 6 9.435 6.678 5.044 1.00 15.00 C ATOM 107 CE1 PHE A 6 12.155 6.853 4.616 1.00 15.00 C ATOM 108 CE2 PHE A 6 10.285 5.776 5.645 1.00 15.00 C ATOM 109 CZ PHE A 6 11.648 5.865 5.430 1.00 15.00 C ATOM 0 H PHE A 6 7.790 9.841 0.641 1.00 15.00 H new ATOM 0 HA PHE A 6 10.090 8.707 1.713 1.00 15.00 H new ATOM 0 HB2 PHE A 6 9.239 9.665 3.928 1.00 15.00 H new ATOM 0 HB3 PHE A 6 7.983 8.445 3.870 1.00 15.00 H new ATOM 0 HD1 PHE A 6 11.702 8.528 3.379 1.00 15.00 H new ATOM 0 HD2 PHE A 6 8.371 6.605 5.214 1.00 15.00 H new ATOM 0 HE1 PHE A 6 13.219 6.922 4.447 1.00 15.00 H new ATOM 0 HE2 PHE A 6 9.888 5.001 6.283 1.00 15.00 H new ATOM 0 HZ PHE A 6 12.316 5.159 5.901 1.00 15.00 H new ATOM 119 N THR A 7 8.289 6.396 2.078 1.00 15.00 N ATOM 120 CA THR A 7 7.862 5.076 1.705 1.00 15.00 C ATOM 121 C THR A 7 6.480 4.957 2.335 1.00 15.00 C ATOM 122 O THR A 7 6.269 5.557 3.398 1.00 15.00 O ATOM 123 CB THR A 7 8.772 4.102 2.501 1.00 15.00 C ATOM 124 OG1 THR A 7 10.124 4.582 2.438 1.00 15.00 O ATOM 125 CG2 THR A 7 8.713 2.700 1.917 1.00 15.00 C ATOM 0 H THR A 7 8.521 6.445 3.070 1.00 15.00 H new ATOM 0 HA THR A 7 7.884 4.883 0.632 1.00 15.00 H new ATOM 0 HB THR A 7 8.425 4.059 3.533 1.00 15.00 H new ATOM 0 HG1 THR A 7 10.613 4.092 1.744 1.00 15.00 H new ATOM 0 HG21 THR A 7 9.359 2.038 2.493 1.00 15.00 H new ATOM 0 HG22 THR A 7 7.688 2.332 1.958 1.00 15.00 H new ATOM 0 HG23 THR A 7 9.049 2.723 0.880 1.00 15.00 H new ATOM 133 N THR A 8 5.495 4.336 1.709 1.00 15.00 N ATOM 134 CA THR A 8 4.216 4.335 2.362 1.00 15.00 C ATOM 135 C THR A 8 3.440 3.060 2.530 1.00 15.00 C ATOM 136 O THR A 8 2.933 2.805 3.616 1.00 15.00 O ATOM 137 CB THR A 8 3.332 5.370 1.743 1.00 15.00 C ATOM 138 OG1 THR A 8 4.110 6.497 1.501 1.00 15.00 O ATOM 139 CG2 THR A 8 2.271 5.775 2.718 1.00 15.00 C ATOM 0 H THR A 8 5.553 3.858 0.810 1.00 15.00 H new ATOM 0 HA THR A 8 4.511 4.547 3.390 1.00 15.00 H new ATOM 0 HB THR A 8 2.881 4.973 0.833 1.00 15.00 H new ATOM 0 HG1 THR A 8 4.480 6.827 2.346 1.00 15.00 H new ATOM 0 HG21 THR A 8 1.628 6.529 2.264 1.00 15.00 H new ATOM 0 HG22 THR A 8 1.674 4.904 2.988 1.00 15.00 H new ATOM 0 HG23 THR A 8 2.737 6.187 3.613 1.00 15.00 H new ATOM 147 N ASN A 9 3.259 2.261 1.512 1.00 15.00 N ATOM 148 CA ASN A 9 2.294 1.141 1.635 1.00 15.00 C ATOM 149 C ASN A 9 2.933 -0.124 2.246 1.00 15.00 C ATOM 150 O ASN A 9 2.322 -1.194 2.302 1.00 15.00 O ATOM 151 CB ASN A 9 1.641 0.849 0.273 1.00 15.00 C ATOM 152 CG ASN A 9 0.447 -0.095 0.339 1.00 15.00 C ATOM 153 OD1 ASN A 9 -0.293 -0.116 1.320 1.00 15.00 O ATOM 154 ND2 ASN A 9 0.256 -0.870 -0.698 1.00 15.00 N ATOM 0 H ASN A 9 3.734 2.337 0.612 1.00 15.00 H new ATOM 0 HA ASN A 9 1.515 1.451 2.332 1.00 15.00 H new ATOM 0 HB2 ASN A 9 1.320 1.791 -0.172 1.00 15.00 H new ATOM 0 HB3 ASN A 9 2.391 0.421 -0.392 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -0.529 -1.521 -0.711 1.00 15.00 H new ATOM 0 HD22 ASN A 9 0.892 -0.823 -1.494 1.00 15.00 H new ATOM 161 N LEU A 10 4.138 -0.008 2.697 1.00 15.00 N ATOM 162 CA LEU A 10 4.815 -1.096 3.345 1.00 15.00 C ATOM 163 C LEU A 10 4.629 -0.890 4.826 1.00 15.00 C ATOM 164 O LEU A 10 3.904 0.032 5.237 1.00 15.00 O ATOM 165 CB LEU A 10 6.317 -1.188 2.971 1.00 15.00 C ATOM 166 CG LEU A 10 6.684 -1.541 1.511 1.00 15.00 C ATOM 167 CD1 LEU A 10 6.347 -0.418 0.537 1.00 15.00 C ATOM 168 CD2 LEU A 10 8.152 -1.913 1.412 1.00 15.00 C ATOM 0 H LEU A 10 4.689 0.847 2.629 1.00 15.00 H new ATOM 0 HA LEU A 10 4.391 -2.044 3.015 1.00 15.00 H new ATOM 0 HB2 LEU A 10 6.779 -0.230 3.208 1.00 15.00 H new ATOM 0 HB3 LEU A 10 6.777 -1.933 3.620 1.00 15.00 H new ATOM 0 HG LEU A 10 6.077 -2.400 1.225 1.00 15.00 H new ATOM 0 HD11 LEU A 10 6.625 -0.717 -0.474 1.00 15.00 H new ATOM 0 HD12 LEU A 10 5.277 -0.213 0.574 1.00 15.00 H new ATOM 0 HD13 LEU A 10 6.898 0.481 0.813 1.00 15.00 H new ATOM 0 HD21 LEU A 10 8.396 -2.159 0.379 1.00 15.00 H new ATOM 0 HD22 LEU A 10 8.763 -1.072 1.739 1.00 15.00 H new ATOM 0 HD23 LEU A 10 8.352 -2.776 2.047 1.00 15.00 H new ATOM 180 N THR A 11 5.181 -1.757 5.622 1.00 15.00 N ATOM 181 CA THR A 11 5.114 -1.685 6.988 1.00 15.00 C ATOM 182 C THR A 11 6.429 -2.216 7.499 1.00 15.00 C ATOM 183 O THR A 11 6.904 -1.749 8.516 1.00 15.00 O ATOM 184 CB THR A 11 3.899 -2.416 7.641 1.00 15.00 C ATOM 185 OG1 THR A 11 3.674 -3.711 7.054 1.00 15.00 O ATOM 186 CG2 THR A 11 2.627 -1.592 7.585 1.00 15.00 C ATOM 0 H THR A 11 5.709 -2.561 5.284 1.00 15.00 H new ATOM 0 HA THR A 11 4.944 -0.647 7.274 1.00 15.00 H new ATOM 0 HB THR A 11 4.162 -2.552 8.690 1.00 15.00 H new ATOM 0 HG1 THR A 11 2.907 -4.139 7.489 1.00 15.00 H new ATOM 0 HG21 THR A 11 1.813 -2.147 8.053 1.00 15.00 H new ATOM 0 HG22 THR A 11 2.778 -0.653 8.117 1.00 15.00 H new ATOM 0 HG23 THR A 11 2.374 -1.384 6.545 1.00 15.00 H new ATOM 194 N PRO A 12 7.057 -3.299 6.839 1.00 15.00 N ATOM 195 CA PRO A 12 8.369 -3.716 7.240 1.00 15.00 C ATOM 196 C PRO A 12 9.462 -2.612 7.270 1.00 15.00 C ATOM 197 O PRO A 12 10.246 -2.558 8.231 1.00 15.00 O ATOM 198 CB PRO A 12 8.757 -4.867 6.298 1.00 15.00 C ATOM 199 CG PRO A 12 7.705 -4.884 5.252 1.00 15.00 C ATOM 200 CD PRO A 12 6.485 -4.346 5.912 1.00 15.00 C ATOM 0 HA PRO A 12 8.320 -4.019 8.286 1.00 15.00 H new ATOM 0 HB2 PRO A 12 9.743 -4.704 5.863 1.00 15.00 H new ATOM 0 HB3 PRO A 12 8.797 -5.816 6.832 1.00 15.00 H new ATOM 0 HG2 PRO A 12 7.991 -4.272 4.396 1.00 15.00 H new ATOM 0 HG3 PRO A 12 7.537 -5.895 4.879 1.00 15.00 H new ATOM 0 HD2 PRO A 12 5.789 -3.915 5.192 1.00 15.00 H new ATOM 0 HD3 PRO A 12 5.943 -5.119 6.457 1.00 15.00 H new ATOM 208 N GLU A 13 9.510 -1.740 6.257 1.00 15.00 N ATOM 209 CA GLU A 13 10.529 -0.689 6.233 1.00 15.00 C ATOM 210 C GLU A 13 10.234 0.301 7.342 1.00 15.00 C ATOM 211 O GLU A 13 11.066 0.573 8.194 1.00 15.00 O ATOM 212 CB GLU A 13 10.527 0.045 4.871 1.00 15.00 C ATOM 213 CG GLU A 13 11.627 1.106 4.716 1.00 15.00 C ATOM 214 CD GLU A 13 13.034 0.522 4.676 1.00 15.00 C ATOM 215 OE1 GLU A 13 13.297 -0.403 3.847 1.00 15.00 O ATOM 216 OE2 GLU A 13 13.929 0.990 5.441 1.00 15.00 O ATOM 0 H GLU A 13 8.871 -1.740 5.462 1.00 15.00 H new ATOM 0 HA GLU A 13 11.511 -1.140 6.378 1.00 15.00 H new ATOM 0 HB2 GLU A 13 10.636 -0.692 4.076 1.00 15.00 H new ATOM 0 HB3 GLU A 13 9.557 0.523 4.732 1.00 15.00 H new ATOM 0 HG2 GLU A 13 11.450 1.670 3.800 1.00 15.00 H new ATOM 0 HG3 GLU A 13 11.559 1.812 5.543 1.00 15.00 H new ATOM 223 N GLU A 14 8.998 0.735 7.369 1.00 15.00 N ATOM 224 CA GLU A 14 8.457 1.684 8.313 1.00 15.00 C ATOM 225 C GLU A 14 8.619 1.202 9.765 1.00 15.00 C ATOM 226 O GLU A 14 8.821 1.994 10.674 1.00 15.00 O ATOM 227 CB GLU A 14 6.965 1.965 7.975 1.00 15.00 C ATOM 228 CG GLU A 14 6.692 2.618 6.578 1.00 15.00 C ATOM 229 CD GLU A 14 6.774 1.655 5.368 1.00 15.00 C ATOM 230 OE1 GLU A 14 7.208 0.481 5.544 1.00 15.00 O ATOM 231 OE2 GLU A 14 6.404 2.063 4.233 1.00 15.00 O ATOM 0 H GLU A 14 8.302 0.418 6.694 1.00 15.00 H new ATOM 0 HA GLU A 14 9.021 2.613 8.228 1.00 15.00 H new ATOM 0 HB2 GLU A 14 6.417 1.024 8.028 1.00 15.00 H new ATOM 0 HB3 GLU A 14 6.554 2.617 8.746 1.00 15.00 H new ATOM 0 HG2 GLU A 14 5.700 3.070 6.595 1.00 15.00 H new ATOM 0 HG3 GLU A 14 7.408 3.426 6.427 1.00 15.00 H new ATOM 238 N ALA A 15 8.591 -0.100 9.943 1.00 15.00 N ATOM 239 CA ALA A 15 8.767 -0.715 11.261 1.00 15.00 C ATOM 240 C ALA A 15 10.180 -0.469 11.764 1.00 15.00 C ATOM 241 O ALA A 15 10.384 -0.201 12.966 1.00 15.00 O ATOM 242 CB ALA A 15 8.460 -2.205 11.232 1.00 15.00 C ATOM 0 H ALA A 15 8.447 -0.770 9.187 1.00 15.00 H new ATOM 0 HA ALA A 15 8.058 -0.251 11.947 1.00 15.00 H new ATOM 0 HB1 ALA A 15 8.602 -2.625 12.228 1.00 15.00 H new ATOM 0 HB2 ALA A 15 7.428 -2.358 10.917 1.00 15.00 H new ATOM 0 HB3 ALA A 15 9.130 -2.701 10.530 1.00 15.00 H new ATOM 248 N LYS A 16 11.141 -0.517 10.849 1.00 15.00 N ATOM 249 CA LYS A 16 12.528 -0.235 11.177 1.00 15.00 C ATOM 250 C LYS A 16 12.675 1.211 11.610 1.00 15.00 C ATOM 251 O LYS A 16 13.409 1.513 12.544 1.00 15.00 O ATOM 252 CB LYS A 16 13.465 -0.564 10.012 1.00 15.00 C ATOM 253 CG LYS A 16 13.398 -2.020 9.550 1.00 15.00 C ATOM 254 CD LYS A 16 13.746 -3.008 10.670 1.00 15.00 C ATOM 255 CE LYS A 16 15.180 -2.853 11.178 1.00 15.00 C ATOM 256 NZ LYS A 16 16.190 -3.121 10.132 1.00 15.00 N ATOM 0 H LYS A 16 10.981 -0.750 9.869 1.00 15.00 H new ATOM 0 HA LYS A 16 12.819 -0.879 12.007 1.00 15.00 H new ATOM 0 HB2 LYS A 16 13.223 0.085 9.170 1.00 15.00 H new ATOM 0 HB3 LYS A 16 14.489 -0.334 10.307 1.00 15.00 H new ATOM 0 HG2 LYS A 16 12.396 -2.234 9.179 1.00 15.00 H new ATOM 0 HG3 LYS A 16 14.084 -2.165 8.716 1.00 15.00 H new ATOM 0 HD2 LYS A 16 13.055 -2.866 11.501 1.00 15.00 H new ATOM 0 HD3 LYS A 16 13.603 -4.026 10.307 1.00 15.00 H new ATOM 0 HE2 LYS A 16 15.318 -1.841 11.559 1.00 15.00 H new ATOM 0 HE3 LYS A 16 15.340 -3.534 12.014 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 17.140 -3.102 10.554 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 16.016 -4.057 9.713 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 16.125 -2.393 9.392 1.00 15.00 H new ATOM 270 N ILE A 17 11.887 2.076 10.978 1.00 15.00 N ATOM 271 CA ILE A 17 11.843 3.500 11.249 1.00 15.00 C ATOM 272 C ILE A 17 11.337 3.786 12.643 1.00 15.00 C ATOM 273 O ILE A 17 11.844 4.671 13.323 1.00 15.00 O ATOM 274 CB ILE A 17 10.895 4.225 10.179 1.00 15.00 C ATOM 275 CG1 ILE A 17 11.662 4.538 8.866 1.00 15.00 C ATOM 276 CG2 ILE A 17 10.261 5.514 10.717 1.00 15.00 C ATOM 277 CD1 ILE A 17 12.289 3.360 8.156 1.00 15.00 C ATOM 0 H ILE A 17 11.243 1.791 10.240 1.00 15.00 H new ATOM 0 HA ILE A 17 12.859 3.886 11.171 1.00 15.00 H new ATOM 0 HB ILE A 17 10.090 3.519 9.972 1.00 15.00 H new ATOM 0 HG12 ILE A 17 10.973 5.025 8.176 1.00 15.00 H new ATOM 0 HG13 ILE A 17 12.448 5.258 9.093 1.00 15.00 H new ATOM 0 HG21 ILE A 17 9.631 5.958 9.947 1.00 15.00 H new ATOM 0 HG22 ILE A 17 9.655 5.283 11.593 1.00 15.00 H new ATOM 0 HG23 ILE A 17 11.046 6.218 10.994 1.00 15.00 H new ATOM 0 HD11 ILE A 17 12.795 3.706 7.255 1.00 15.00 H new ATOM 0 HD12 ILE A 17 13.011 2.880 8.816 1.00 15.00 H new ATOM 0 HD13 ILE A 17 11.513 2.644 7.885 1.00 15.00 H new ATOM 289 N VAL A 18 10.362 2.993 13.084 1.00 15.00 N ATOM 290 CA VAL A 18 9.743 3.172 14.393 1.00 15.00 C ATOM 291 C VAL A 18 10.772 3.035 15.505 1.00 15.00 C ATOM 292 O VAL A 18 10.833 3.875 16.402 1.00 15.00 O ATOM 293 CB VAL A 18 8.604 2.129 14.623 1.00 15.00 C ATOM 294 CG1 VAL A 18 7.980 2.267 16.012 1.00 15.00 C ATOM 295 CG2 VAL A 18 7.538 2.255 13.554 1.00 15.00 C ATOM 0 H VAL A 18 9.982 2.214 12.547 1.00 15.00 H new ATOM 0 HA VAL A 18 9.320 4.176 14.415 1.00 15.00 H new ATOM 0 HB VAL A 18 9.054 1.138 14.558 1.00 15.00 H new ATOM 0 HG11 VAL A 18 7.192 1.524 16.132 1.00 15.00 H new ATOM 0 HG12 VAL A 18 8.746 2.111 16.772 1.00 15.00 H new ATOM 0 HG13 VAL A 18 7.557 3.265 16.123 1.00 15.00 H new ATOM 0 HG21 VAL A 18 6.754 1.519 13.733 1.00 15.00 H new ATOM 0 HG22 VAL A 18 7.109 3.257 13.584 1.00 15.00 H new ATOM 0 HG23 VAL A 18 7.983 2.080 12.574 1.00 15.00 H new ATOM 305 N GLN A 19 11.586 1.995 15.449 1.00 15.00 N ATOM 306 CA GLN A 19 12.618 1.819 16.446 1.00 15.00 C ATOM 307 C GLN A 19 13.764 2.785 16.215 1.00 15.00 C ATOM 308 O GLN A 19 14.379 3.272 17.145 1.00 15.00 O ATOM 309 CB GLN A 19 13.120 0.376 16.459 1.00 15.00 C ATOM 310 CG GLN A 19 12.038 -0.626 16.834 1.00 15.00 C ATOM 311 CD GLN A 19 11.454 -0.396 18.235 1.00 15.00 C ATOM 312 OE1 GLN A 19 12.259 0.071 19.170 1.00 15.00 O flip ATOM 313 NE2 GLN A 19 10.280 -0.669 18.477 1.00 15.00 N flip ATOM 0 H GLN A 19 11.551 1.270 14.732 1.00 15.00 H new ATOM 0 HA GLN A 19 12.184 2.036 17.422 1.00 15.00 H new ATOM 0 HB2 GLN A 19 13.514 0.125 15.474 1.00 15.00 H new ATOM 0 HB3 GLN A 19 13.947 0.291 17.164 1.00 15.00 H new ATOM 0 HG2 GLN A 19 11.234 -0.573 16.100 1.00 15.00 H new ATOM 0 HG3 GLN A 19 12.452 -1.633 16.782 1.00 15.00 H new ATOM 0 HE21 GLN A 19 9.677 -1.029 17.737 1.00 15.00 H new ATOM 0 HE22 GLN A 19 9.909 -0.536 19.418 1.00 15.00 H new ATOM 322 N TYR A 20 14.078 2.958 14.937 1.00 15.00 N ATOM 323 CA TYR A 20 15.170 3.861 14.508 1.00 15.00 C ATOM 324 C TYR A 20 14.962 5.254 15.126 1.00 15.00 C ATOM 325 O TYR A 20 15.907 5.845 15.649 1.00 15.00 O ATOM 326 CB TYR A 20 15.288 3.905 12.986 1.00 15.00 C ATOM 327 CG TYR A 20 16.446 4.688 12.415 1.00 15.00 C ATOM 328 CD1 TYR A 20 16.354 6.057 12.203 1.00 15.00 C ATOM 329 CD2 TYR A 20 17.608 4.043 12.026 1.00 15.00 C ATOM 330 CE1 TYR A 20 17.386 6.760 11.625 1.00 15.00 C ATOM 331 CE2 TYR A 20 18.649 4.740 11.458 1.00 15.00 C ATOM 332 CZ TYR A 20 18.533 6.099 11.260 1.00 15.00 C ATOM 333 OH TYR A 20 19.549 6.787 10.632 1.00 15.00 O ATOM 0 H TYR A 20 13.598 2.489 14.169 1.00 15.00 H new ATOM 0 HA TYR A 20 16.121 3.473 14.873 1.00 15.00 H new ATOM 0 HB2 TYR A 20 15.358 2.880 12.621 1.00 15.00 H new ATOM 0 HB3 TYR A 20 14.365 4.324 12.586 1.00 15.00 H new ATOM 0 HD1 TYR A 20 15.456 6.580 12.497 1.00 15.00 H new ATOM 0 HD2 TYR A 20 17.698 2.977 12.171 1.00 15.00 H new ATOM 0 HE1 TYR A 20 17.295 7.823 11.460 1.00 15.00 H new ATOM 0 HE2 TYR A 20 19.553 4.225 11.169 1.00 15.00 H new ATOM 0 HH TYR A 20 19.532 6.591 9.672 1.00 15.00 H new ATOM 343 N GLU A 21 13.716 5.736 15.076 1.00 15.00 N ATOM 344 CA GLU A 21 13.313 6.985 15.710 1.00 15.00 C ATOM 345 C GLU A 21 13.397 7.203 17.198 1.00 15.00 C ATOM 346 O GLU A 21 12.421 7.477 17.906 1.00 15.00 O ATOM 347 CB GLU A 21 12.376 7.885 14.948 1.00 15.00 C ATOM 348 CG GLU A 21 13.137 8.520 13.799 1.00 15.00 C ATOM 349 CD GLU A 21 14.472 9.098 14.313 1.00 15.00 C ATOM 350 OE1 GLU A 21 14.454 9.969 15.217 1.00 15.00 O ATOM 351 OE2 GLU A 21 15.543 8.610 13.892 1.00 15.00 O ATOM 0 H GLU A 21 12.956 5.262 14.589 1.00 15.00 H new ATOM 0 HA GLU A 21 14.315 7.382 15.547 1.00 15.00 H new ATOM 0 HB2 GLU A 21 11.528 7.314 14.570 1.00 15.00 H new ATOM 0 HB3 GLU A 21 11.974 8.655 15.606 1.00 15.00 H new ATOM 0 HG2 GLU A 21 13.326 7.779 13.022 1.00 15.00 H new ATOM 0 HG3 GLU A 21 12.538 9.310 13.347 1.00 15.00 H new ATOM 358 N LEU A 22 14.571 6.962 17.614 1.00 15.00 N ATOM 359 CA LEU A 22 15.145 7.224 18.860 1.00 15.00 C ATOM 360 C LEU A 22 16.294 8.179 18.629 1.00 15.00 C ATOM 361 O LEU A 22 16.761 8.824 19.560 1.00 15.00 O ATOM 362 CB LEU A 22 15.731 5.915 19.444 1.00 15.00 C ATOM 363 CG LEU A 22 14.741 4.781 19.732 1.00 15.00 C ATOM 364 CD1 LEU A 22 15.461 3.595 20.349 1.00 15.00 C ATOM 365 CD2 LEU A 22 13.619 5.256 20.651 1.00 15.00 C ATOM 0 H LEU A 22 15.246 6.511 16.996 1.00 15.00 H new ATOM 0 HA LEU A 22 14.401 7.634 19.543 1.00 15.00 H new ATOM 0 HB2 LEU A 22 16.483 5.541 18.750 1.00 15.00 H new ATOM 0 HB3 LEU A 22 16.247 6.159 20.373 1.00 15.00 H new ATOM 0 HG LEU A 22 14.297 4.470 18.786 1.00 15.00 H new ATOM 0 HD11 LEU A 22 14.745 2.798 20.548 1.00 15.00 H new ATOM 0 HD12 LEU A 22 16.224 3.234 19.660 1.00 15.00 H new ATOM 0 HD13 LEU A 22 15.932 3.901 21.283 1.00 15.00 H new ATOM 0 HD21 LEU A 22 12.930 4.433 20.840 1.00 15.00 H new ATOM 0 HD22 LEU A 22 14.042 5.599 21.595 1.00 15.00 H new ATOM 0 HD23 LEU A 22 13.082 6.077 20.175 1.00 15.00 H new ATOM 377 N SER A 23 16.761 8.271 17.359 1.00 15.00 N ATOM 378 CA SER A 23 17.923 9.077 16.999 1.00 15.00 C ATOM 379 C SER A 23 17.731 10.557 17.339 1.00 15.00 C ATOM 380 O SER A 23 18.648 11.210 17.859 1.00 15.00 O ATOM 381 CB SER A 23 18.152 8.969 15.501 1.00 15.00 C ATOM 382 OG SER A 23 17.946 7.643 15.038 1.00 15.00 O ATOM 0 H SER A 23 16.335 7.786 16.569 1.00 15.00 H new ATOM 0 HA SER A 23 18.772 8.699 17.568 1.00 15.00 H new ATOM 0 HB2 SER A 23 17.477 9.647 14.979 1.00 15.00 H new ATOM 0 HB3 SER A 23 19.168 9.285 15.263 1.00 15.00 H new ATOM 0 HG SER A 23 17.049 7.567 14.651 1.00 15.00 H new ATOM 388 N THR A 24 16.555 11.085 17.049 1.00 15.00 N ATOM 389 CA THR A 24 16.310 12.472 17.290 1.00 15.00 C ATOM 390 C THR A 24 15.985 12.712 18.771 1.00 15.00 C ATOM 391 O THR A 24 16.886 13.008 19.562 1.00 15.00 O ATOM 392 CB THR A 24 15.183 13.000 16.365 1.00 15.00 C ATOM 393 OG1 THR A 24 14.026 12.161 16.511 1.00 15.00 O ATOM 394 CG2 THR A 24 15.630 12.996 14.908 1.00 15.00 C ATOM 0 H THR A 24 15.770 10.570 16.651 1.00 15.00 H new ATOM 0 HA THR A 24 17.215 13.031 17.054 1.00 15.00 H new ATOM 0 HB THR A 24 14.946 14.025 16.650 1.00 15.00 H new ATOM 0 HG1 THR A 24 14.104 11.389 15.913 1.00 15.00 H new ATOM 0 HG21 THR A 24 14.823 13.370 14.279 1.00 15.00 H new ATOM 0 HG22 THR A 24 16.505 13.636 14.794 1.00 15.00 H new ATOM 0 HG23 THR A 24 15.882 11.979 14.608 1.00 15.00 H new ATOM 402 N ARG A 25 14.723 12.486 19.125 1.00 15.00 N ATOM 403 CA ARG A 25 14.198 12.604 20.505 1.00 15.00 C ATOM 404 C ARG A 25 14.507 13.923 21.232 1.00 15.00 C ATOM 405 O ARG A 25 15.366 14.719 20.830 1.00 15.00 O ATOM 406 CB ARG A 25 14.637 11.437 21.372 1.00 15.00 C ATOM 407 CG ARG A 25 14.061 10.102 20.967 1.00 15.00 C ATOM 408 CD ARG A 25 14.439 9.055 21.985 1.00 15.00 C ATOM 409 NE ARG A 25 13.940 9.424 23.315 1.00 15.00 N ATOM 410 CZ ARG A 25 14.364 8.905 24.466 1.00 15.00 C ATOM 411 NH1 ARG A 25 15.220 7.896 24.466 1.00 15.00 N ATOM 412 NH2 ARG A 25 13.918 9.396 25.618 1.00 15.00 N ATOM 0 H ARG A 25 14.009 12.208 18.451 1.00 15.00 H new ATOM 0 HA ARG A 25 13.118 12.591 20.362 1.00 15.00 H new ATOM 0 HB2 ARG A 25 15.725 11.371 21.347 1.00 15.00 H new ATOM 0 HB3 ARG A 25 14.354 11.642 22.405 1.00 15.00 H new ATOM 0 HG2 ARG A 25 12.976 10.172 20.889 1.00 15.00 H new ATOM 0 HG3 ARG A 25 14.434 9.818 19.983 1.00 15.00 H new ATOM 0 HD2 ARG A 25 14.028 8.089 21.691 1.00 15.00 H new ATOM 0 HD3 ARG A 25 15.523 8.944 22.015 1.00 15.00 H new ATOM 0 HE ARG A 25 13.210 10.135 23.362 1.00 15.00 H new ATOM 0 HH11 ARG A 25 15.557 7.513 23.583 1.00 15.00 H new ATOM 0 HH12 ARG A 25 15.543 7.501 25.349 1.00 15.00 H new ATOM 0 HH21 ARG A 25 13.252 10.169 25.619 1.00 15.00 H new ATOM 0 HH22 ARG A 25 14.241 9.000 26.501 1.00 15.00 H new ATOM 426 N ASP A 26 13.699 14.175 22.273 1.00 15.00 N ATOM 427 CA ASP A 26 13.832 15.337 23.194 1.00 15.00 C ATOM 428 C ASP A 26 13.648 16.596 22.370 1.00 15.00 C ATOM 429 O ASP A 26 14.219 17.658 22.655 1.00 15.00 O ATOM 430 CB ASP A 26 15.221 15.342 23.863 1.00 15.00 C ATOM 431 CG ASP A 26 15.516 14.093 24.663 1.00 15.00 C ATOM 432 OD1 ASP A 26 15.056 13.982 25.810 1.00 15.00 O ATOM 433 OD2 ASP A 26 16.234 13.211 24.168 1.00 15.00 O ATOM 0 H ASP A 26 12.914 13.569 22.512 1.00 15.00 H new ATOM 0 HA ASP A 26 13.083 15.279 23.984 1.00 15.00 H new ATOM 0 HB2 ASP A 26 15.984 15.459 23.094 1.00 15.00 H new ATOM 0 HB3 ASP A 26 15.295 16.209 24.519 1.00 15.00 H new ATOM 438 N GLU A 27 12.742 16.464 21.426 1.00 15.00 N ATOM 439 CA GLU A 27 12.530 17.405 20.343 1.00 15.00 C ATOM 440 C GLU A 27 11.555 16.743 19.377 1.00 15.00 C ATOM 441 O GLU A 27 10.818 17.391 18.644 1.00 15.00 O ATOM 442 CB GLU A 27 13.870 17.577 19.599 1.00 15.00 C ATOM 443 CG GLU A 27 13.961 18.815 18.733 1.00 15.00 C ATOM 444 CD GLU A 27 14.005 20.080 19.539 1.00 15.00 C ATOM 445 OE1 GLU A 27 14.758 20.144 20.532 1.00 15.00 O ATOM 446 OE2 GLU A 27 13.292 21.051 19.192 1.00 15.00 O ATOM 0 H GLU A 27 12.106 15.667 21.389 1.00 15.00 H new ATOM 0 HA GLU A 27 12.160 18.363 20.707 1.00 15.00 H new ATOM 0 HB2 GLU A 27 14.676 17.604 20.332 1.00 15.00 H new ATOM 0 HB3 GLU A 27 14.037 16.700 18.974 1.00 15.00 H new ATOM 0 HG2 GLU A 27 14.854 18.754 18.110 1.00 15.00 H new ATOM 0 HG3 GLU A 27 13.104 18.847 18.060 1.00 15.00 H new ATOM 453 N PHE A 28 11.569 15.428 19.400 1.00 15.00 N ATOM 454 CA PHE A 28 10.704 14.595 18.576 1.00 15.00 C ATOM 455 C PHE A 28 9.352 14.396 19.259 1.00 15.00 C ATOM 456 O PHE A 28 9.236 13.680 20.255 1.00 15.00 O ATOM 457 CB PHE A 28 11.428 13.250 18.366 1.00 15.00 C ATOM 458 CG PHE A 28 10.766 12.199 17.506 1.00 15.00 C ATOM 459 CD1 PHE A 28 10.896 12.222 16.137 1.00 15.00 C ATOM 460 CD2 PHE A 28 10.067 11.155 18.086 1.00 15.00 C ATOM 461 CE1 PHE A 28 10.345 11.234 15.351 1.00 15.00 C ATOM 462 CE2 PHE A 28 9.506 10.166 17.309 1.00 15.00 C ATOM 463 CZ PHE A 28 9.647 10.203 15.939 1.00 15.00 C ATOM 0 H PHE A 28 12.193 14.892 20.003 1.00 15.00 H new ATOM 0 HA PHE A 28 10.508 15.068 17.614 1.00 15.00 H new ATOM 0 HB2 PHE A 28 12.405 13.464 17.933 1.00 15.00 H new ATOM 0 HB3 PHE A 28 11.603 12.812 19.348 1.00 15.00 H new ATOM 0 HD1 PHE A 28 11.440 13.029 15.670 1.00 15.00 H new ATOM 0 HD2 PHE A 28 9.960 11.115 19.160 1.00 15.00 H new ATOM 0 HE1 PHE A 28 10.460 11.268 14.278 1.00 15.00 H new ATOM 0 HE2 PHE A 28 8.955 9.361 17.774 1.00 15.00 H new ATOM 0 HZ PHE A 28 9.212 9.426 15.328 1.00 15.00 H new ATOM 473 N TYR A 29 8.356 15.056 18.731 1.00 15.00 N ATOM 474 CA TYR A 29 6.999 14.906 19.185 1.00 15.00 C ATOM 475 C TYR A 29 6.055 14.833 18.005 1.00 15.00 C ATOM 476 O TYR A 29 5.552 13.771 17.695 1.00 15.00 O ATOM 477 CB TYR A 29 6.572 16.018 20.185 1.00 15.00 C ATOM 478 CG TYR A 29 5.102 15.944 20.601 1.00 15.00 C ATOM 479 CD1 TYR A 29 4.665 15.056 21.571 1.00 15.00 C ATOM 480 CD2 TYR A 29 4.154 16.767 19.995 1.00 15.00 C ATOM 481 CE1 TYR A 29 3.324 14.985 21.922 1.00 15.00 C ATOM 482 CE2 TYR A 29 2.825 16.706 20.342 1.00 15.00 C ATOM 483 CZ TYR A 29 2.411 15.816 21.301 1.00 15.00 C ATOM 484 OH TYR A 29 1.075 15.745 21.627 1.00 15.00 O ATOM 0 H TYR A 29 8.465 15.720 17.965 1.00 15.00 H new ATOM 0 HA TYR A 29 6.945 13.967 19.736 1.00 15.00 H new ATOM 0 HB2 TYR A 29 7.196 15.951 21.076 1.00 15.00 H new ATOM 0 HB3 TYR A 29 6.764 16.992 19.734 1.00 15.00 H new ATOM 0 HD1 TYR A 29 5.378 14.410 22.061 1.00 15.00 H new ATOM 0 HD2 TYR A 29 4.470 17.468 19.236 1.00 15.00 H new ATOM 0 HE1 TYR A 29 2.996 14.285 22.676 1.00 15.00 H new ATOM 0 HE2 TYR A 29 2.109 17.356 19.861 1.00 15.00 H new ATOM 0 HH TYR A 29 0.574 16.400 21.097 1.00 15.00 H new ATOM 494 N ARG A 30 5.818 15.968 17.368 1.00 15.00 N ATOM 495 CA ARG A 30 4.872 16.036 16.243 1.00 15.00 C ATOM 496 C ARG A 30 5.340 15.170 15.066 1.00 15.00 C ATOM 497 O ARG A 30 6.317 15.488 14.407 1.00 15.00 O ATOM 498 CB ARG A 30 4.659 17.483 15.795 1.00 15.00 C ATOM 499 CG ARG A 30 3.510 17.697 14.814 1.00 15.00 C ATOM 500 CD ARG A 30 2.144 17.593 15.502 1.00 15.00 C ATOM 501 NE ARG A 30 1.835 16.237 16.014 1.00 15.00 N ATOM 502 CZ ARG A 30 1.058 15.984 17.084 1.00 15.00 C ATOM 503 NH1 ARG A 30 0.522 16.979 17.768 1.00 15.00 N ATOM 504 NH2 ARG A 30 0.830 14.741 17.456 1.00 15.00 N ATOM 0 H ARG A 30 6.261 16.857 17.602 1.00 15.00 H new ATOM 0 HA ARG A 30 3.918 15.640 16.592 1.00 15.00 H new ATOM 0 HB2 ARG A 30 4.481 18.097 16.678 1.00 15.00 H new ATOM 0 HB3 ARG A 30 5.579 17.844 15.336 1.00 15.00 H new ATOM 0 HG2 ARG A 30 3.608 18.678 14.348 1.00 15.00 H new ATOM 0 HG3 ARG A 30 3.572 16.957 14.016 1.00 15.00 H new ATOM 0 HD2 ARG A 30 2.110 18.301 16.330 1.00 15.00 H new ATOM 0 HD3 ARG A 30 1.368 17.890 14.796 1.00 15.00 H new ATOM 0 HE ARG A 30 2.239 15.440 15.522 1.00 15.00 H new ATOM 0 HH11 ARG A 30 0.696 17.944 17.486 1.00 15.00 H new ATOM 0 HH12 ARG A 30 -0.066 16.783 18.578 1.00 15.00 H new ATOM 0 HH21 ARG A 30 1.242 13.968 16.933 1.00 15.00 H new ATOM 0 HH22 ARG A 30 0.241 14.551 18.267 1.00 15.00 H new ATOM 518 N VAL A 31 4.672 14.030 14.897 1.00 15.00 N ATOM 519 CA VAL A 31 4.914 13.067 13.825 1.00 15.00 C ATOM 520 C VAL A 31 3.571 12.569 13.298 1.00 15.00 C ATOM 521 O VAL A 31 2.708 12.213 14.099 1.00 15.00 O ATOM 522 CB VAL A 31 5.644 11.802 14.407 1.00 15.00 C ATOM 523 CG1 VAL A 31 5.955 10.768 13.325 1.00 15.00 C ATOM 524 CG2 VAL A 31 6.902 12.178 15.174 1.00 15.00 C ATOM 0 H VAL A 31 3.921 13.742 15.525 1.00 15.00 H new ATOM 0 HA VAL A 31 5.508 13.550 13.049 1.00 15.00 H new ATOM 0 HB VAL A 31 4.950 11.342 15.110 1.00 15.00 H new ATOM 0 HG11 VAL A 31 6.459 9.912 13.774 1.00 15.00 H new ATOM 0 HG12 VAL A 31 5.026 10.439 12.859 1.00 15.00 H new ATOM 0 HG13 VAL A 31 6.602 11.215 12.570 1.00 15.00 H new ATOM 0 HG21 VAL A 31 7.376 11.276 15.560 1.00 15.00 H new ATOM 0 HG22 VAL A 31 7.593 12.695 14.508 1.00 15.00 H new ATOM 0 HG23 VAL A 31 6.640 12.833 16.005 1.00 15.00 H new ATOM 534 N PHE A 32 3.363 12.542 11.995 1.00 15.00 N ATOM 535 CA PHE A 32 2.195 11.890 11.414 1.00 15.00 C ATOM 536 C PHE A 32 2.657 11.189 10.156 1.00 15.00 C ATOM 537 O PHE A 32 3.340 11.794 9.324 1.00 15.00 O ATOM 538 CB PHE A 32 1.036 12.831 11.042 1.00 15.00 C ATOM 539 CG PHE A 32 0.352 13.539 12.165 1.00 15.00 C ATOM 540 CD1 PHE A 32 -0.602 12.886 12.927 1.00 15.00 C ATOM 541 CD2 PHE A 32 0.635 14.861 12.442 1.00 15.00 C ATOM 542 CE1 PHE A 32 -1.255 13.540 13.948 1.00 15.00 C ATOM 543 CE2 PHE A 32 -0.019 15.519 13.454 1.00 15.00 C ATOM 544 CZ PHE A 32 -0.963 14.861 14.209 1.00 15.00 C ATOM 0 H PHE A 32 3.990 12.966 11.311 1.00 15.00 H new ATOM 0 HA PHE A 32 1.797 11.219 12.175 1.00 15.00 H new ATOM 0 HB2 PHE A 32 1.418 13.582 10.350 1.00 15.00 H new ATOM 0 HB3 PHE A 32 0.288 12.251 10.502 1.00 15.00 H new ATOM 0 HD1 PHE A 32 -0.837 11.853 12.718 1.00 15.00 H new ATOM 0 HD2 PHE A 32 1.378 15.383 11.857 1.00 15.00 H new ATOM 0 HE1 PHE A 32 -1.992 13.020 14.541 1.00 15.00 H new ATOM 0 HE2 PHE A 32 0.208 16.555 13.658 1.00 15.00 H new ATOM 0 HZ PHE A 32 -1.475 15.380 15.006 1.00 15.00 H new ATOM 554 N ILE A 33 2.329 9.927 10.048 1.00 15.00 N ATOM 555 CA ILE A 33 2.572 9.139 8.852 1.00 15.00 C ATOM 556 C ILE A 33 1.284 8.413 8.549 1.00 15.00 C ATOM 557 O ILE A 33 0.567 8.053 9.485 1.00 15.00 O ATOM 558 CB ILE A 33 3.748 8.074 8.993 1.00 15.00 C ATOM 559 CG1 ILE A 33 3.487 6.969 10.072 1.00 15.00 C ATOM 560 CG2 ILE A 33 5.091 8.745 9.237 1.00 15.00 C ATOM 561 CD1 ILE A 33 3.516 7.426 11.525 1.00 15.00 C ATOM 0 H ILE A 33 1.878 9.403 10.798 1.00 15.00 H new ATOM 0 HA ILE A 33 2.887 9.817 8.059 1.00 15.00 H new ATOM 0 HB ILE A 33 3.776 7.563 8.031 1.00 15.00 H new ATOM 0 HG12 ILE A 33 2.514 6.520 9.874 1.00 15.00 H new ATOM 0 HG13 ILE A 33 4.232 6.184 9.945 1.00 15.00 H new ATOM 0 HG21 ILE A 33 5.867 7.984 9.327 1.00 15.00 H new ATOM 0 HG22 ILE A 33 5.325 9.405 8.401 1.00 15.00 H new ATOM 0 HG23 ILE A 33 5.045 9.327 10.157 1.00 15.00 H new ATOM 0 HD11 ILE A 33 3.322 6.575 12.178 1.00 15.00 H new ATOM 0 HD12 ILE A 33 4.496 7.845 11.755 1.00 15.00 H new ATOM 0 HD13 ILE A 33 2.751 8.186 11.683 1.00 15.00 H new ATOM 573 N ASN A 34 0.944 8.188 7.297 1.00 15.00 N ATOM 574 CA ASN A 34 -0.257 7.424 6.998 1.00 15.00 C ATOM 575 C ASN A 34 0.121 6.310 6.052 1.00 15.00 C ATOM 576 O ASN A 34 0.071 6.480 4.829 1.00 15.00 O ATOM 577 CB ASN A 34 -1.372 8.291 6.370 1.00 15.00 C ATOM 578 CG ASN A 34 -1.825 9.433 7.253 1.00 15.00 C ATOM 579 OD1 ASN A 34 -2.690 9.260 8.117 1.00 15.00 O ATOM 580 ND2 ASN A 34 -1.300 10.615 7.017 1.00 15.00 N ATOM 0 H ASN A 34 1.466 8.513 6.484 1.00 15.00 H new ATOM 0 HA ASN A 34 -0.658 7.031 7.932 1.00 15.00 H new ATOM 0 HB2 ASN A 34 -1.015 8.695 5.423 1.00 15.00 H new ATOM 0 HB3 ASN A 34 -2.229 7.657 6.143 1.00 15.00 H new ATOM 0 HD21 ASN A 34 -1.606 11.426 7.556 1.00 15.00 H new ATOM 0 HD22 ASN A 34 -0.587 10.722 6.295 1.00 15.00 H new ATOM 587 N PRO A 35 0.596 5.180 6.585 1.00 15.00 N ATOM 588 CA PRO A 35 1.085 4.081 5.774 1.00 15.00 C ATOM 589 C PRO A 35 -0.035 3.345 5.042 1.00 15.00 C ATOM 590 O PRO A 35 -0.760 2.555 5.655 1.00 15.00 O ATOM 591 CB PRO A 35 1.784 3.145 6.788 1.00 15.00 C ATOM 592 CG PRO A 35 1.836 3.914 8.066 1.00 15.00 C ATOM 593 CD PRO A 35 0.681 4.863 8.017 1.00 15.00 C ATOM 0 HA PRO A 35 1.749 4.435 4.985 1.00 15.00 H new ATOM 0 HB2 PRO A 35 1.229 2.215 6.911 1.00 15.00 H new ATOM 0 HB3 PRO A 35 2.785 2.877 6.450 1.00 15.00 H new ATOM 0 HG2 PRO A 35 1.759 3.249 8.926 1.00 15.00 H new ATOM 0 HG3 PRO A 35 2.780 4.451 8.161 1.00 15.00 H new ATOM 0 HD2 PRO A 35 -0.237 4.406 8.387 1.00 15.00 H new ATOM 0 HD3 PRO A 35 0.860 5.753 8.620 1.00 15.00 H new ATOM 601 N TYR A 36 -0.197 3.639 3.743 1.00 15.00 N ATOM 602 CA TYR A 36 -1.166 2.983 2.881 1.00 15.00 C ATOM 603 C TYR A 36 -1.011 3.582 1.464 1.00 15.00 C ATOM 604 O TYR A 36 -1.017 2.890 0.466 1.00 15.00 O ATOM 605 CB TYR A 36 -2.592 3.275 3.384 1.00 15.00 C ATOM 606 CG TYR A 36 -3.670 2.392 2.799 1.00 15.00 C ATOM 607 CD1 TYR A 36 -3.999 1.198 3.423 1.00 15.00 C ATOM 608 CD2 TYR A 36 -4.371 2.747 1.653 1.00 15.00 C ATOM 609 CE1 TYR A 36 -4.991 0.387 2.932 1.00 15.00 C ATOM 610 CE2 TYR A 36 -5.367 1.932 1.148 1.00 15.00 C ATOM 611 CZ TYR A 36 -5.674 0.754 1.796 1.00 15.00 C ATOM 612 OH TYR A 36 -6.682 -0.063 1.312 1.00 15.00 O ATOM 0 H TYR A 36 0.354 4.351 3.264 1.00 15.00 H new ATOM 0 HA TYR A 36 -0.999 1.906 2.878 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.607 3.170 4.469 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -2.834 4.314 3.161 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.464 0.901 4.313 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -4.134 3.673 1.150 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -5.235 -0.537 3.436 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -5.901 2.216 0.253 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.067 0.336 0.504 1.00 15.00 H new ATOM 622 N ALA A 37 -0.791 4.898 1.434 1.00 15.00 N ATOM 623 CA ALA A 37 -0.774 5.720 0.198 1.00 15.00 C ATOM 624 C ALA A 37 0.400 5.505 -0.799 1.00 15.00 C ATOM 625 O ALA A 37 0.338 6.046 -1.881 1.00 15.00 O ATOM 626 CB ALA A 37 -0.866 7.190 0.566 1.00 15.00 C ATOM 0 H ALA A 37 -0.615 5.443 2.278 1.00 15.00 H new ATOM 0 HA ALA A 37 -1.645 5.368 -0.355 1.00 15.00 H new ATOM 0 HB1 ALA A 37 -0.854 7.794 -0.341 1.00 15.00 H new ATOM 0 HB2 ALA A 37 -1.793 7.372 1.110 1.00 15.00 H new ATOM 0 HB3 ALA A 37 -0.018 7.462 1.194 1.00 15.00 H new ATOM 632 N LYS A 38 1.433 4.701 -0.447 1.00 15.00 N ATOM 633 CA LYS A 38 2.662 4.526 -1.320 1.00 15.00 C ATOM 634 C LYS A 38 3.189 5.858 -1.941 1.00 15.00 C ATOM 635 O LYS A 38 3.269 5.990 -3.159 1.00 15.00 O ATOM 636 CB LYS A 38 2.566 3.371 -2.401 1.00 15.00 C ATOM 637 CG LYS A 38 1.496 3.466 -3.505 1.00 15.00 C ATOM 638 CD LYS A 38 0.096 3.131 -3.031 1.00 15.00 C ATOM 639 CE LYS A 38 -0.879 3.203 -4.186 1.00 15.00 C ATOM 640 NZ LYS A 38 -2.264 2.918 -3.770 1.00 15.00 N ATOM 0 H LYS A 38 1.458 4.163 0.419 1.00 15.00 H new ATOM 0 HA LYS A 38 3.414 4.188 -0.608 1.00 15.00 H new ATOM 0 HB2 LYS A 38 3.537 3.297 -2.890 1.00 15.00 H new ATOM 0 HB3 LYS A 38 2.406 2.434 -1.868 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.499 4.476 -3.915 1.00 15.00 H new ATOM 0 HG3 LYS A 38 1.765 2.792 -4.318 1.00 15.00 H new ATOM 0 HD2 LYS A 38 0.081 2.132 -2.595 1.00 15.00 H new ATOM 0 HD3 LYS A 38 -0.206 3.825 -2.247 1.00 15.00 H new ATOM 0 HE2 LYS A 38 -0.834 4.195 -4.635 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.580 2.491 -4.956 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -2.894 2.979 -4.595 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -2.315 1.961 -3.366 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 -2.562 3.612 -3.055 1.00 15.00 H new ATOM 654 N VAL A 39 3.502 6.827 -1.059 1.00 15.00 N ATOM 655 CA VAL A 39 3.991 8.224 -1.336 1.00 15.00 C ATOM 656 C VAL A 39 4.025 8.996 -0.022 1.00 15.00 C ATOM 657 O VAL A 39 5.092 9.144 0.579 1.00 15.00 O ATOM 658 CB VAL A 39 3.256 9.084 -2.453 1.00 15.00 C ATOM 659 CG1 VAL A 39 3.891 8.865 -3.803 1.00 15.00 C ATOM 660 CG2 VAL A 39 1.740 8.821 -2.541 1.00 15.00 C ATOM 0 H VAL A 39 3.419 6.658 -0.056 1.00 15.00 H new ATOM 0 HA VAL A 39 4.975 8.070 -1.778 1.00 15.00 H new ATOM 0 HB VAL A 39 3.378 10.124 -2.150 1.00 15.00 H new ATOM 0 HG11 VAL A 39 3.371 9.464 -4.551 1.00 15.00 H new ATOM 0 HG12 VAL A 39 4.939 9.162 -3.765 1.00 15.00 H new ATOM 0 HG13 VAL A 39 3.822 7.811 -4.071 1.00 15.00 H new ATOM 0 HG21 VAL A 39 1.308 9.443 -3.325 1.00 15.00 H new ATOM 0 HG22 VAL A 39 1.566 7.771 -2.774 1.00 15.00 H new ATOM 0 HG23 VAL A 39 1.273 9.063 -1.586 1.00 15.00 H new ATOM 670 N ALA A 40 2.856 9.515 0.359 1.00 15.00 N ATOM 671 CA ALA A 40 2.597 10.110 1.669 1.00 15.00 C ATOM 672 C ALA A 40 3.211 11.444 1.819 1.00 15.00 C ATOM 673 O ALA A 40 3.881 11.967 0.912 1.00 15.00 O ATOM 674 CB ALA A 40 3.103 9.201 2.806 1.00 15.00 C ATOM 0 H ALA A 40 2.041 9.533 -0.254 1.00 15.00 H new ATOM 0 HA ALA A 40 1.515 10.219 1.736 1.00 15.00 H new ATOM 0 HB1 ALA A 40 2.896 9.671 3.767 1.00 15.00 H new ATOM 0 HB2 ALA A 40 2.594 8.238 2.756 1.00 15.00 H new ATOM 0 HB3 ALA A 40 4.177 9.050 2.700 1.00 15.00 H new ATOM 680 N GLU A 41 2.943 12.019 2.934 1.00 15.00 N ATOM 681 CA GLU A 41 3.502 13.210 3.346 1.00 15.00 C ATOM 682 C GLU A 41 3.824 12.978 4.790 1.00 15.00 C ATOM 683 O GLU A 41 3.026 12.355 5.506 1.00 15.00 O ATOM 684 CB GLU A 41 2.505 14.379 3.197 1.00 15.00 C ATOM 685 CG GLU A 41 1.210 14.323 4.035 1.00 15.00 C ATOM 686 CD GLU A 41 0.189 13.311 3.567 1.00 15.00 C ATOM 687 OE1 GLU A 41 -0.436 13.548 2.519 1.00 15.00 O ATOM 688 OE2 GLU A 41 -0.060 12.312 4.284 1.00 15.00 O ATOM 0 H GLU A 41 2.285 11.630 3.609 1.00 15.00 H new ATOM 0 HA GLU A 41 4.375 13.483 2.752 1.00 15.00 H new ATOM 0 HB2 GLU A 41 3.028 15.301 3.448 1.00 15.00 H new ATOM 0 HB3 GLU A 41 2.223 14.449 2.146 1.00 15.00 H new ATOM 0 HG2 GLU A 41 1.474 14.099 5.069 1.00 15.00 H new ATOM 0 HG3 GLU A 41 0.749 15.311 4.030 1.00 15.00 H new ATOM 695 N VAL A 42 4.962 13.357 5.218 1.00 15.00 N ATOM 696 CA VAL A 42 5.286 13.154 6.603 1.00 15.00 C ATOM 697 C VAL A 42 5.643 14.476 7.226 1.00 15.00 C ATOM 698 O VAL A 42 6.474 15.226 6.715 1.00 15.00 O ATOM 699 CB VAL A 42 6.389 12.080 6.855 1.00 15.00 C ATOM 700 CG1 VAL A 42 6.646 11.880 8.341 1.00 15.00 C ATOM 701 CG2 VAL A 42 6.056 10.754 6.179 1.00 15.00 C ATOM 0 H VAL A 42 5.686 13.804 4.655 1.00 15.00 H new ATOM 0 HA VAL A 42 4.397 12.744 7.083 1.00 15.00 H new ATOM 0 HB VAL A 42 7.306 12.459 6.404 1.00 15.00 H new ATOM 0 HG11 VAL A 42 7.420 11.125 8.478 1.00 15.00 H new ATOM 0 HG12 VAL A 42 6.974 12.821 8.783 1.00 15.00 H new ATOM 0 HG13 VAL A 42 5.728 11.551 8.828 1.00 15.00 H new ATOM 0 HG21 VAL A 42 6.849 10.034 6.379 1.00 15.00 H new ATOM 0 HG22 VAL A 42 5.113 10.373 6.570 1.00 15.00 H new ATOM 0 HG23 VAL A 42 5.967 10.906 5.103 1.00 15.00 H new ATOM 711 N VAL A 43 4.937 14.776 8.287 1.00 15.00 N ATOM 712 CA VAL A 43 5.228 15.917 9.064 1.00 15.00 C ATOM 713 C VAL A 43 5.838 15.454 10.356 1.00 15.00 C ATOM 714 O VAL A 43 5.224 14.698 11.118 1.00 15.00 O ATOM 715 CB VAL A 43 3.995 16.800 9.319 1.00 15.00 C ATOM 716 CG1 VAL A 43 4.337 17.957 10.237 1.00 15.00 C ATOM 717 CG2 VAL A 43 3.406 17.302 8.006 1.00 15.00 C ATOM 0 H VAL A 43 4.147 14.225 8.623 1.00 15.00 H new ATOM 0 HA VAL A 43 5.926 16.547 8.513 1.00 15.00 H new ATOM 0 HB VAL A 43 3.241 16.190 9.816 1.00 15.00 H new ATOM 0 HG11 VAL A 43 3.448 18.566 10.401 1.00 15.00 H new ATOM 0 HG12 VAL A 43 4.694 17.571 11.192 1.00 15.00 H new ATOM 0 HG13 VAL A 43 5.115 18.567 9.779 1.00 15.00 H new ATOM 0 HG21 VAL A 43 2.535 17.924 8.212 1.00 15.00 H new ATOM 0 HG22 VAL A 43 4.154 17.889 7.473 1.00 15.00 H new ATOM 0 HG23 VAL A 43 3.107 16.452 7.393 1.00 15.00 H new ATOM 727 N ILE A 44 7.044 15.858 10.555 1.00 15.00 N ATOM 728 CA ILE A 44 7.769 15.605 11.754 1.00 15.00 C ATOM 729 C ILE A 44 8.431 16.887 12.186 1.00 15.00 C ATOM 730 O ILE A 44 8.978 17.600 11.366 1.00 15.00 O ATOM 731 CB ILE A 44 8.789 14.421 11.616 1.00 15.00 C ATOM 732 CG1 ILE A 44 9.681 14.586 10.372 1.00 15.00 C ATOM 733 CG2 ILE A 44 8.083 13.080 11.608 1.00 15.00 C ATOM 734 CD1 ILE A 44 10.712 13.481 10.185 1.00 15.00 C ATOM 0 H ILE A 44 7.572 16.392 9.865 1.00 15.00 H new ATOM 0 HA ILE A 44 7.073 15.276 12.525 1.00 15.00 H new ATOM 0 HB ILE A 44 9.437 14.449 12.492 1.00 15.00 H new ATOM 0 HG12 ILE A 44 9.046 14.627 9.487 1.00 15.00 H new ATOM 0 HG13 ILE A 44 10.199 15.543 10.436 1.00 15.00 H new ATOM 0 HG21 ILE A 44 8.819 12.282 11.511 1.00 15.00 H new ATOM 0 HG22 ILE A 44 7.531 12.954 12.540 1.00 15.00 H new ATOM 0 HG23 ILE A 44 7.390 13.039 10.768 1.00 15.00 H new ATOM 0 HD11 ILE A 44 11.296 13.677 9.286 1.00 15.00 H new ATOM 0 HD12 ILE A 44 11.375 13.452 11.049 1.00 15.00 H new ATOM 0 HD13 ILE A 44 10.204 12.522 10.086 1.00 15.00 H new ATOM 746 N ASP A 45 8.282 17.235 13.436 1.00 15.00 N ATOM 747 CA ASP A 45 8.936 18.426 13.956 1.00 15.00 C ATOM 748 C ASP A 45 10.145 18.127 14.769 1.00 15.00 C ATOM 749 O ASP A 45 10.705 19.036 15.397 1.00 15.00 O ATOM 750 CB ASP A 45 8.006 19.406 14.666 1.00 15.00 C ATOM 751 CG ASP A 45 7.253 20.293 13.705 1.00 15.00 C ATOM 752 OD1 ASP A 45 7.883 21.223 13.112 1.00 15.00 O ATOM 753 OD2 ASP A 45 6.027 20.149 13.570 1.00 15.00 O ATOM 0 H ASP A 45 7.720 16.722 14.115 1.00 15.00 H new ATOM 0 HA ASP A 45 9.273 18.944 13.058 1.00 15.00 H new ATOM 0 HB2 ASP A 45 7.294 18.849 15.274 1.00 15.00 H new ATOM 0 HB3 ASP A 45 8.589 20.027 15.346 1.00 15.00 H new ATOM 758 N ASP A 46 10.500 16.827 14.835 1.00 15.00 N ATOM 759 CA ASP A 46 11.787 16.241 15.374 1.00 15.00 C ATOM 760 C ASP A 46 12.968 17.159 15.482 1.00 15.00 C ATOM 761 O ASP A 46 13.769 16.975 16.386 1.00 15.00 O ATOM 762 CB ASP A 46 12.214 15.029 14.550 1.00 15.00 C ATOM 763 CG ASP A 46 12.710 15.428 13.176 1.00 15.00 C ATOM 764 OD1 ASP A 46 11.884 15.635 12.295 1.00 15.00 O ATOM 765 OD2 ASP A 46 13.926 15.610 12.974 1.00 15.00 O ATOM 0 H ASP A 46 9.871 16.098 14.498 1.00 15.00 H new ATOM 0 HA ASP A 46 11.517 15.986 16.399 1.00 15.00 H new ATOM 0 HB2 ASP A 46 13.001 14.490 15.078 1.00 15.00 H new ATOM 0 HB3 ASP A 46 11.372 14.344 14.448 1.00 15.00 H new ATOM 770 N SER A 47 13.070 18.129 14.623 1.00 15.00 N ATOM 771 CA SER A 47 14.167 19.049 14.523 1.00 15.00 C ATOM 772 C SER A 47 15.567 18.433 14.437 1.00 15.00 C ATOM 773 O SER A 47 16.084 18.418 13.316 1.00 15.00 O ATOM 774 CB SER A 47 14.036 20.246 15.440 1.00 15.00 C ATOM 775 OG SER A 47 12.766 20.877 15.256 1.00 15.00 O ATOM 0 H SER A 47 12.345 18.311 13.929 1.00 15.00 H new ATOM 0 HA SER A 47 14.065 19.458 13.518 1.00 15.00 H new ATOM 0 HB2 SER A 47 14.146 19.931 16.478 1.00 15.00 H new ATOM 0 HB3 SER A 47 14.836 20.958 15.236 1.00 15.00 H new ATOM 0 HG SER A 47 12.051 20.227 15.419 1.00 15.00 H new ATOM 781 N LYS A 48 16.124 17.887 15.567 1.00 15.00 N ATOM 782 CA LYS A 48 17.543 17.425 15.703 1.00 15.00 C ATOM 783 C LYS A 48 18.441 18.037 14.612 1.00 15.00 C ATOM 784 O LYS A 48 18.888 19.173 14.754 1.00 15.00 O ATOM 785 CB LYS A 48 17.642 15.882 15.732 1.00 15.00 C ATOM 786 CG LYS A 48 18.705 15.257 16.682 1.00 15.00 C ATOM 787 CD LYS A 48 20.130 15.798 16.501 1.00 15.00 C ATOM 788 CE LYS A 48 20.447 16.955 17.459 1.00 15.00 C ATOM 789 NZ LYS A 48 20.397 16.529 18.881 1.00 15.00 N ATOM 0 H LYS A 48 15.586 17.755 16.423 1.00 15.00 H new ATOM 0 HA LYS A 48 17.912 17.784 16.664 1.00 15.00 H new ATOM 0 HB2 LYS A 48 16.665 15.486 16.010 1.00 15.00 H new ATOM 0 HB3 LYS A 48 17.849 15.537 14.719 1.00 15.00 H new ATOM 0 HG2 LYS A 48 18.395 15.428 17.713 1.00 15.00 H new ATOM 0 HG3 LYS A 48 18.719 14.178 16.528 1.00 15.00 H new ATOM 0 HD2 LYS A 48 20.845 14.991 16.663 1.00 15.00 H new ATOM 0 HD3 LYS A 48 20.259 16.136 15.473 1.00 15.00 H new ATOM 0 HE2 LYS A 48 21.437 17.351 17.234 1.00 15.00 H new ATOM 0 HE3 LYS A 48 19.735 17.765 17.298 1.00 15.00 H new ATOM 0 HZ1 LYS A 48 20.984 17.167 19.455 1.00 15.00 H new ATOM 0 HZ2 LYS A 48 19.414 16.564 19.220 1.00 15.00 H new ATOM 0 HZ3 LYS A 48 20.758 15.557 18.965 1.00 15.00 H new ATOM 803 N VAL A 49 18.616 17.313 13.496 1.00 15.00 N ATOM 804 CA VAL A 49 19.281 17.838 12.311 1.00 15.00 C ATOM 805 C VAL A 49 18.622 17.130 11.116 1.00 15.00 C ATOM 806 O VAL A 49 18.494 15.902 11.136 1.00 15.00 O ATOM 807 CB VAL A 49 20.838 17.633 12.248 1.00 15.00 C ATOM 808 CG1 VAL A 49 21.408 18.409 11.071 1.00 15.00 C ATOM 809 CG2 VAL A 49 21.544 18.072 13.522 1.00 15.00 C ATOM 0 H VAL A 49 18.298 16.349 13.398 1.00 15.00 H new ATOM 0 HA VAL A 49 19.161 18.921 12.315 1.00 15.00 H new ATOM 0 HB VAL A 49 21.013 16.564 12.129 1.00 15.00 H new ATOM 0 HG11 VAL A 49 22.488 18.265 11.029 1.00 15.00 H new ATOM 0 HG12 VAL A 49 20.958 18.049 10.146 1.00 15.00 H new ATOM 0 HG13 VAL A 49 21.187 19.469 11.193 1.00 15.00 H new ATOM 0 HG21 VAL A 49 22.616 17.907 13.419 1.00 15.00 H new ATOM 0 HG22 VAL A 49 21.355 19.131 13.696 1.00 15.00 H new ATOM 0 HG23 VAL A 49 21.167 17.493 14.365 1.00 15.00 H new ATOM 819 N ASN A 50 18.188 17.870 10.112 1.00 15.00 N ATOM 820 CA ASN A 50 17.498 17.283 8.928 1.00 15.00 C ATOM 821 C ASN A 50 18.409 16.286 8.164 1.00 15.00 C ATOM 822 O ASN A 50 17.945 15.305 7.595 1.00 15.00 O ATOM 823 CB ASN A 50 17.032 18.410 7.991 1.00 15.00 C ATOM 824 CG ASN A 50 16.156 17.974 6.812 1.00 15.00 C ATOM 825 OD1 ASN A 50 16.241 18.556 5.738 1.00 15.00 O ATOM 826 ND2 ASN A 50 15.282 17.026 7.000 1.00 15.00 N ATOM 0 H ASN A 50 18.291 18.884 10.073 1.00 15.00 H new ATOM 0 HA ASN A 50 16.633 16.723 9.284 1.00 15.00 H new ATOM 0 HB2 ASN A 50 16.479 19.142 8.580 1.00 15.00 H new ATOM 0 HB3 ASN A 50 17.913 18.918 7.597 1.00 15.00 H new ATOM 0 HD21 ASN A 50 14.652 16.756 6.245 1.00 15.00 H new ATOM 0 HD22 ASN A 50 15.228 16.554 7.903 1.00 15.00 H new ATOM 833 N ILE A 51 19.693 16.604 8.151 1.00 15.00 N ATOM 834 CA ILE A 51 20.693 15.790 7.420 1.00 15.00 C ATOM 835 C ILE A 51 20.642 14.255 7.761 1.00 15.00 C ATOM 836 O ILE A 51 20.886 13.423 6.887 1.00 15.00 O ATOM 837 CB ILE A 51 22.163 16.336 7.561 1.00 15.00 C ATOM 838 CG1 ILE A 51 23.088 15.706 6.508 1.00 15.00 C ATOM 839 CG2 ILE A 51 22.728 16.058 8.947 1.00 15.00 C ATOM 840 CD1 ILE A 51 22.708 16.021 5.073 1.00 15.00 C ATOM 0 H ILE A 51 20.082 17.415 8.632 1.00 15.00 H new ATOM 0 HA ILE A 51 20.397 15.894 6.376 1.00 15.00 H new ATOM 0 HB ILE A 51 22.118 17.414 7.405 1.00 15.00 H new ATOM 0 HG12 ILE A 51 24.107 16.049 6.685 1.00 15.00 H new ATOM 0 HG13 ILE A 51 23.088 14.624 6.642 1.00 15.00 H new ATOM 0 HG21 ILE A 51 23.744 16.448 9.011 1.00 15.00 H new ATOM 0 HG22 ILE A 51 22.105 16.544 9.698 1.00 15.00 H new ATOM 0 HG23 ILE A 51 22.740 14.983 9.126 1.00 15.00 H new ATOM 0 HD11 ILE A 51 23.412 15.538 4.396 1.00 15.00 H new ATOM 0 HD12 ILE A 51 21.702 15.652 4.874 1.00 15.00 H new ATOM 0 HD13 ILE A 51 22.737 17.099 4.917 1.00 15.00 H new ATOM 852 N GLU A 52 20.289 13.874 9.006 1.00 15.00 N ATOM 853 CA GLU A 52 20.211 12.468 9.381 1.00 15.00 C ATOM 854 C GLU A 52 18.987 11.793 8.772 1.00 15.00 C ATOM 855 O GLU A 52 19.046 10.670 8.298 1.00 15.00 O ATOM 856 CB GLU A 52 20.135 12.387 10.922 1.00 15.00 C ATOM 857 CG GLU A 52 21.363 13.003 11.592 1.00 15.00 C ATOM 858 CD GLU A 52 21.432 12.776 13.083 1.00 15.00 C ATOM 859 OE1 GLU A 52 20.698 13.414 13.841 1.00 15.00 O ATOM 860 OE2 GLU A 52 22.278 11.952 13.524 1.00 15.00 O ATOM 0 H GLU A 52 20.057 14.524 9.757 1.00 15.00 H new ATOM 0 HA GLU A 52 21.093 11.949 9.005 1.00 15.00 H new ATOM 0 HB2 GLU A 52 19.238 12.901 11.268 1.00 15.00 H new ATOM 0 HB3 GLU A 52 20.042 11.344 11.226 1.00 15.00 H new ATOM 0 HG2 GLU A 52 22.260 12.590 11.131 1.00 15.00 H new ATOM 0 HG3 GLU A 52 21.369 14.076 11.398 1.00 15.00 H new ATOM 867 N GLU A 53 17.876 12.519 8.790 1.00 15.00 N ATOM 868 CA GLU A 53 16.601 12.106 8.198 1.00 15.00 C ATOM 869 C GLU A 53 16.778 11.796 6.734 1.00 15.00 C ATOM 870 O GLU A 53 16.211 10.847 6.178 1.00 15.00 O ATOM 871 CB GLU A 53 15.724 13.349 8.244 1.00 15.00 C ATOM 872 CG GLU A 53 14.309 13.156 7.791 1.00 15.00 C ATOM 873 CD GLU A 53 13.634 14.469 7.607 1.00 15.00 C ATOM 874 OE1 GLU A 53 13.683 15.311 8.526 1.00 15.00 O ATOM 875 OE2 GLU A 53 13.146 14.715 6.492 1.00 15.00 O ATOM 0 H GLU A 53 17.832 13.439 9.229 1.00 15.00 H new ATOM 0 HA GLU A 53 16.201 11.237 8.721 1.00 15.00 H new ATOM 0 HB2 GLU A 53 15.712 13.726 9.267 1.00 15.00 H new ATOM 0 HB3 GLU A 53 16.183 14.120 7.625 1.00 15.00 H new ATOM 0 HG2 GLU A 53 14.294 12.599 6.854 1.00 15.00 H new ATOM 0 HG3 GLU A 53 13.765 12.561 8.524 1.00 15.00 H new ATOM 882 N LEU A 54 17.592 12.649 6.128 1.00 15.00 N ATOM 883 CA LEU A 54 17.952 12.618 4.737 1.00 15.00 C ATOM 884 C LEU A 54 18.600 11.281 4.415 1.00 15.00 C ATOM 885 O LEU A 54 18.397 10.729 3.353 1.00 15.00 O ATOM 886 CB LEU A 54 18.873 13.852 4.442 1.00 15.00 C ATOM 887 CG LEU A 54 19.354 14.145 2.993 1.00 15.00 C ATOM 888 CD1 LEU A 54 20.444 13.190 2.533 1.00 15.00 C ATOM 889 CD2 LEU A 54 18.181 14.150 2.018 1.00 15.00 C ATOM 0 H LEU A 54 18.037 13.418 6.629 1.00 15.00 H new ATOM 0 HA LEU A 54 17.080 12.699 4.088 1.00 15.00 H new ATOM 0 HB2 LEU A 54 18.345 14.739 4.792 1.00 15.00 H new ATOM 0 HB3 LEU A 54 19.763 13.745 5.062 1.00 15.00 H new ATOM 0 HG LEU A 54 19.797 15.141 3.005 1.00 15.00 H new ATOM 0 HD11 LEU A 54 20.742 13.441 1.515 1.00 15.00 H new ATOM 0 HD12 LEU A 54 21.306 13.276 3.195 1.00 15.00 H new ATOM 0 HD13 LEU A 54 20.067 12.168 2.559 1.00 15.00 H new ATOM 0 HD21 LEU A 54 18.545 14.357 1.012 1.00 15.00 H new ATOM 0 HD22 LEU A 54 17.691 13.176 2.033 1.00 15.00 H new ATOM 0 HD23 LEU A 54 17.467 14.920 2.311 1.00 15.00 H new ATOM 901 N LYS A 55 19.312 10.749 5.377 1.00 15.00 N ATOM 902 CA LYS A 55 19.998 9.496 5.187 1.00 15.00 C ATOM 903 C LYS A 55 18.998 8.337 4.986 1.00 15.00 C ATOM 904 O LYS A 55 19.219 7.503 4.104 1.00 15.00 O ATOM 905 CB LYS A 55 20.963 9.177 6.335 1.00 15.00 C ATOM 906 CG LYS A 55 22.025 10.237 6.590 1.00 15.00 C ATOM 907 CD LYS A 55 22.925 10.447 5.384 1.00 15.00 C ATOM 908 CE LYS A 55 24.041 11.437 5.693 1.00 15.00 C ATOM 909 NZ LYS A 55 24.957 10.935 6.744 1.00 15.00 N ATOM 0 H LYS A 55 19.432 11.165 6.301 1.00 15.00 H new ATOM 0 HA LYS A 55 20.595 9.604 4.281 1.00 15.00 H new ATOM 0 HB2 LYS A 55 20.385 9.035 7.248 1.00 15.00 H new ATOM 0 HB3 LYS A 55 21.459 8.230 6.121 1.00 15.00 H new ATOM 0 HG2 LYS A 55 21.541 11.179 6.849 1.00 15.00 H new ATOM 0 HG3 LYS A 55 22.631 9.943 7.447 1.00 15.00 H new ATOM 0 HD2 LYS A 55 23.356 9.494 5.078 1.00 15.00 H new ATOM 0 HD3 LYS A 55 22.333 10.813 4.545 1.00 15.00 H new ATOM 0 HE2 LYS A 55 24.608 11.638 4.784 1.00 15.00 H new ATOM 0 HE3 LYS A 55 23.606 12.384 6.014 1.00 15.00 H new ATOM 0 HZ1 LYS A 55 25.827 11.504 6.747 1.00 15.00 H new ATOM 0 HZ2 LYS A 55 24.493 11.007 7.672 1.00 15.00 H new ATOM 0 HZ3 LYS A 55 25.194 9.941 6.552 1.00 15.00 H new ATOM 923 N GLU A 56 17.892 8.267 5.758 1.00 15.00 N ATOM 924 CA GLU A 56 16.990 7.097 5.599 1.00 15.00 C ATOM 925 C GLU A 56 16.246 7.060 4.239 1.00 15.00 C ATOM 926 O GLU A 56 16.195 6.018 3.613 1.00 15.00 O ATOM 927 CB GLU A 56 16.039 6.946 6.774 1.00 15.00 C ATOM 928 CG GLU A 56 16.746 6.738 8.093 1.00 15.00 C ATOM 929 CD GLU A 56 17.669 5.553 8.075 1.00 15.00 C ATOM 930 OE1 GLU A 56 17.180 4.414 7.957 1.00 15.00 O ATOM 931 OE2 GLU A 56 18.898 5.744 8.167 1.00 15.00 O ATOM 0 H GLU A 56 17.610 8.956 6.455 1.00 15.00 H new ATOM 0 HA GLU A 56 17.645 6.225 5.595 1.00 15.00 H new ATOM 0 HB2 GLU A 56 15.413 7.835 6.842 1.00 15.00 H new ATOM 0 HB3 GLU A 56 15.375 6.102 6.589 1.00 15.00 H new ATOM 0 HG2 GLU A 56 17.316 7.634 8.340 1.00 15.00 H new ATOM 0 HG3 GLU A 56 16.005 6.604 8.881 1.00 15.00 H new ATOM 938 N LYS A 57 15.723 8.192 3.793 1.00 15.00 N ATOM 939 CA LYS A 57 14.982 8.276 2.490 1.00 15.00 C ATOM 940 C LYS A 57 15.864 7.909 1.262 1.00 15.00 C ATOM 941 O LYS A 57 15.402 7.470 0.225 1.00 15.00 O ATOM 942 CB LYS A 57 14.284 9.638 2.382 1.00 15.00 C ATOM 943 CG LYS A 57 15.218 10.837 2.435 1.00 15.00 C ATOM 944 CD LYS A 57 14.451 12.146 2.585 1.00 15.00 C ATOM 945 CE LYS A 57 13.801 12.262 3.976 1.00 15.00 C ATOM 946 NZ LYS A 57 13.065 13.530 4.146 1.00 15.00 N ATOM 0 H LYS A 57 15.784 9.078 4.295 1.00 15.00 H new ATOM 0 HA LYS A 57 14.205 7.511 2.479 1.00 15.00 H new ATOM 0 HB2 LYS A 57 13.725 9.671 1.447 1.00 15.00 H new ATOM 0 HB3 LYS A 57 13.558 9.724 3.191 1.00 15.00 H new ATOM 0 HG2 LYS A 57 15.909 10.723 3.270 1.00 15.00 H new ATOM 0 HG3 LYS A 57 15.819 10.870 1.526 1.00 15.00 H new ATOM 0 HD2 LYS A 57 15.128 12.986 2.427 1.00 15.00 H new ATOM 0 HD3 LYS A 57 13.681 12.208 1.816 1.00 15.00 H new ATOM 0 HE2 LYS A 57 13.119 11.425 4.127 1.00 15.00 H new ATOM 0 HE3 LYS A 57 14.572 12.186 4.743 1.00 15.00 H new ATOM 0 HZ1 LYS A 57 12.761 13.625 5.136 1.00 15.00 H new ATOM 0 HZ2 LYS A 57 13.685 14.327 3.896 1.00 15.00 H new ATOM 0 HZ3 LYS A 57 12.230 13.533 3.525 1.00 15.00 H new ATOM 960 N LEU A 58 17.113 8.107 1.431 1.00 15.00 N ATOM 961 CA LEU A 58 18.129 7.689 0.469 1.00 15.00 C ATOM 962 C LEU A 58 18.298 6.156 0.342 1.00 15.00 C ATOM 963 O LEU A 58 18.894 5.692 -0.641 1.00 15.00 O ATOM 964 CB LEU A 58 19.474 8.412 0.641 1.00 15.00 C ATOM 965 CG LEU A 58 19.638 9.772 -0.080 1.00 15.00 C ATOM 966 CD1 LEU A 58 18.550 10.769 0.275 1.00 15.00 C ATOM 967 CD2 LEU A 58 21.010 10.352 0.216 1.00 15.00 C ATOM 0 H LEU A 58 17.496 8.573 2.253 1.00 15.00 H new ATOM 0 HA LEU A 58 17.727 8.015 -0.490 1.00 15.00 H new ATOM 0 HB2 LEU A 58 19.639 8.571 1.707 1.00 15.00 H new ATOM 0 HB3 LEU A 58 20.263 7.746 0.292 1.00 15.00 H new ATOM 0 HG LEU A 58 19.542 9.581 -1.149 1.00 15.00 H new ATOM 0 HD11 LEU A 58 18.722 11.702 -0.263 1.00 15.00 H new ATOM 0 HD12 LEU A 58 17.578 10.362 -0.005 1.00 15.00 H new ATOM 0 HD13 LEU A 58 18.568 10.960 1.348 1.00 15.00 H new ATOM 0 HD21 LEU A 58 21.118 11.309 -0.295 1.00 15.00 H new ATOM 0 HD22 LEU A 58 21.118 10.500 1.290 1.00 15.00 H new ATOM 0 HD23 LEU A 58 21.779 9.664 -0.135 1.00 15.00 H new ATOM 979 N LYS A 59 17.851 5.370 1.304 1.00 15.00 N ATOM 980 CA LYS A 59 18.011 3.909 1.221 1.00 15.00 C ATOM 981 C LYS A 59 17.062 3.150 0.242 1.00 15.00 C ATOM 982 O LYS A 59 17.516 2.532 -0.717 1.00 15.00 O ATOM 983 CB LYS A 59 17.717 3.298 2.573 1.00 15.00 C ATOM 984 CG LYS A 59 18.521 3.811 3.739 1.00 15.00 C ATOM 985 CD LYS A 59 18.159 3.027 4.987 1.00 15.00 C ATOM 986 CE LYS A 59 16.646 3.044 5.235 1.00 15.00 C ATOM 987 NZ LYS A 59 16.281 2.377 6.489 1.00 15.00 N ATOM 0 H LYS A 59 17.379 5.701 2.145 1.00 15.00 H new ATOM 0 HA LYS A 59 19.033 3.794 0.859 1.00 15.00 H new ATOM 0 HB2 LYS A 59 16.661 3.454 2.794 1.00 15.00 H new ATOM 0 HB3 LYS A 59 17.872 2.222 2.500 1.00 15.00 H new ATOM 0 HG2 LYS A 59 19.586 3.713 3.531 1.00 15.00 H new ATOM 0 HG3 LYS A 59 18.323 4.872 3.893 1.00 15.00 H new ATOM 0 HD2 LYS A 59 18.502 1.997 4.885 1.00 15.00 H new ATOM 0 HD3 LYS A 59 18.676 3.451 5.848 1.00 15.00 H new ATOM 0 HE2 LYS A 59 16.295 4.076 5.259 1.00 15.00 H new ATOM 0 HE3 LYS A 59 16.138 2.554 4.404 1.00 15.00 H new ATOM 0 HZ1 LYS A 59 15.354 1.918 6.381 1.00 15.00 H new ATOM 0 HZ2 LYS A 59 16.997 1.660 6.722 1.00 15.00 H new ATOM 0 HZ3 LYS A 59 16.233 3.079 7.255 1.00 15.00 H new ATOM 1001 N GLY A 60 15.745 3.176 0.538 1.00 15.00 N ATOM 1002 CA GLY A 60 14.789 2.190 -0.009 1.00 15.00 C ATOM 1003 C GLY A 60 14.208 2.361 -1.405 1.00 15.00 C ATOM 1004 O GLY A 60 14.938 2.387 -2.411 1.00 15.00 O ATOM 0 H GLY A 60 15.320 3.870 1.153 1.00 15.00 H new ATOM 0 HA2 GLY A 60 15.282 1.218 0.016 1.00 15.00 H new ATOM 0 HA3 GLY A 60 13.949 2.140 0.684 1.00 15.00 H new ATOM 1008 N GLU A 61 12.875 2.456 -1.426 1.00 15.00 N ATOM 1009 CA GLU A 61 12.020 2.384 -2.651 1.00 15.00 C ATOM 1010 C GLU A 61 12.506 3.383 -3.678 1.00 15.00 C ATOM 1011 O GLU A 61 13.000 4.454 -3.318 1.00 15.00 O ATOM 1012 CB GLU A 61 10.545 2.576 -2.318 1.00 15.00 C ATOM 1013 CG GLU A 61 10.016 1.569 -1.305 1.00 15.00 C ATOM 1014 CD GLU A 61 10.242 0.141 -1.717 1.00 15.00 C ATOM 1015 OE1 GLU A 61 9.695 -0.287 -2.753 1.00 15.00 O ATOM 1016 OE2 GLU A 61 10.987 -0.577 -1.024 1.00 15.00 O ATOM 0 H GLU A 61 12.329 2.589 -0.575 1.00 15.00 H new ATOM 0 HA GLU A 61 12.109 1.386 -3.080 1.00 15.00 H new ATOM 0 HB2 GLU A 61 10.396 3.583 -1.929 1.00 15.00 H new ATOM 0 HB3 GLU A 61 9.960 2.499 -3.235 1.00 15.00 H new ATOM 0 HG2 GLU A 61 10.498 1.744 -0.343 1.00 15.00 H new ATOM 0 HG3 GLU A 61 8.948 1.734 -1.161 1.00 15.00 H new ATOM 1023 N VAL A 62 12.366 3.033 -4.985 1.00 15.00 N ATOM 1024 CA VAL A 62 13.144 3.932 -5.812 1.00 15.00 C ATOM 1025 C VAL A 62 12.395 5.230 -6.028 1.00 15.00 C ATOM 1026 O VAL A 62 11.262 5.213 -6.496 1.00 15.00 O ATOM 1027 CB VAL A 62 13.396 3.268 -7.217 1.00 15.00 C ATOM 1028 CG1 VAL A 62 14.295 4.125 -8.095 1.00 15.00 C ATOM 1029 CG2 VAL A 62 13.991 1.875 -7.062 1.00 15.00 C ATOM 0 H VAL A 62 11.826 2.280 -5.412 1.00 15.00 H new ATOM 0 HA VAL A 62 14.090 4.133 -5.309 1.00 15.00 H new ATOM 0 HB VAL A 62 12.427 3.185 -7.709 1.00 15.00 H new ATOM 0 HG11 VAL A 62 14.444 3.631 -9.055 1.00 15.00 H new ATOM 0 HG12 VAL A 62 13.828 5.097 -8.255 1.00 15.00 H new ATOM 0 HG13 VAL A 62 15.259 4.262 -7.605 1.00 15.00 H new ATOM 0 HG21 VAL A 62 14.156 1.438 -8.047 1.00 15.00 H new ATOM 0 HG22 VAL A 62 14.941 1.942 -6.531 1.00 15.00 H new ATOM 0 HG23 VAL A 62 13.303 1.246 -6.496 1.00 15.00 H new ATOM 1039 N ILE A 63 13.014 6.293 -5.542 1.00 15.00 N ATOM 1040 CA ILE A 63 12.616 7.701 -5.698 1.00 15.00 C ATOM 1041 C ILE A 63 12.186 8.264 -4.335 1.00 15.00 C ATOM 1042 O ILE A 63 11.826 9.433 -4.175 1.00 15.00 O ATOM 1043 CB ILE A 63 11.638 8.000 -6.923 1.00 15.00 C ATOM 1044 CG1 ILE A 63 12.340 7.619 -8.235 1.00 15.00 C ATOM 1045 CG2 ILE A 63 11.213 9.463 -6.992 1.00 15.00 C ATOM 1046 CD1 ILE A 63 11.466 7.703 -9.450 1.00 15.00 C ATOM 0 H ILE A 63 13.866 6.200 -4.989 1.00 15.00 H new ATOM 0 HA ILE A 63 13.491 8.268 -6.015 1.00 15.00 H new ATOM 0 HB ILE A 63 10.738 7.404 -6.773 1.00 15.00 H new ATOM 0 HG12 ILE A 63 13.201 8.272 -8.376 1.00 15.00 H new ATOM 0 HG13 ILE A 63 12.722 6.602 -8.147 1.00 15.00 H new ATOM 0 HG21 ILE A 63 10.549 9.609 -7.844 1.00 15.00 H new ATOM 0 HG22 ILE A 63 10.691 9.734 -6.074 1.00 15.00 H new ATOM 0 HG23 ILE A 63 12.095 10.093 -7.107 1.00 15.00 H new ATOM 0 HD11 ILE A 63 12.040 7.418 -10.332 1.00 15.00 H new ATOM 0 HD12 ILE A 63 10.618 7.028 -9.335 1.00 15.00 H new ATOM 0 HD13 ILE A 63 11.104 8.724 -9.568 1.00 15.00 H new ATOM 1058 N GLU A 64 12.342 7.412 -3.314 1.00 15.00 N ATOM 1059 CA GLU A 64 12.216 7.768 -1.893 1.00 15.00 C ATOM 1060 C GLU A 64 13.289 8.864 -1.629 1.00 15.00 C ATOM 1061 O GLU A 64 13.134 9.732 -0.780 1.00 15.00 O ATOM 1062 CB GLU A 64 12.530 6.468 -1.132 1.00 15.00 C ATOM 1063 CG GLU A 64 12.373 6.435 0.369 1.00 15.00 C ATOM 1064 CD GLU A 64 12.820 5.074 0.905 1.00 15.00 C ATOM 1065 OE1 GLU A 64 12.076 4.071 0.714 1.00 15.00 O ATOM 1066 OE2 GLU A 64 13.940 4.970 1.456 1.00 15.00 O ATOM 0 H GLU A 64 12.566 6.427 -3.457 1.00 15.00 H new ATOM 0 HA GLU A 64 11.240 8.149 -1.592 1.00 15.00 H new ATOM 0 HB2 GLU A 64 11.895 5.685 -1.545 1.00 15.00 H new ATOM 0 HB3 GLU A 64 13.561 6.196 -1.360 1.00 15.00 H new ATOM 0 HG2 GLU A 64 12.966 7.228 0.824 1.00 15.00 H new ATOM 0 HG3 GLU A 64 11.333 6.619 0.640 1.00 15.00 H new ATOM 1073 N GLU A 65 14.364 8.801 -2.457 1.00 15.00 N ATOM 1074 CA GLU A 65 15.494 9.733 -2.449 1.00 15.00 C ATOM 1075 C GLU A 65 15.095 11.185 -2.771 1.00 15.00 C ATOM 1076 O GLU A 65 15.855 12.107 -2.450 1.00 15.00 O ATOM 1077 CB GLU A 65 16.527 9.343 -3.532 1.00 15.00 C ATOM 1078 CG GLU A 65 15.923 9.342 -4.945 1.00 15.00 C ATOM 1079 CD GLU A 65 16.914 9.552 -6.068 1.00 15.00 C ATOM 1080 OE1 GLU A 65 17.790 8.704 -6.294 1.00 15.00 O ATOM 1081 OE2 GLU A 65 16.790 10.575 -6.803 1.00 15.00 O ATOM 0 H GLU A 65 14.460 8.074 -3.166 1.00 15.00 H new ATOM 0 HA GLU A 65 15.895 9.673 -1.437 1.00 15.00 H new ATOM 0 HB2 GLU A 65 17.365 10.039 -3.499 1.00 15.00 H new ATOM 0 HB3 GLU A 65 16.926 8.353 -3.310 1.00 15.00 H new ATOM 0 HG2 GLU A 65 15.413 8.392 -5.104 1.00 15.00 H new ATOM 0 HG3 GLU A 65 15.165 10.123 -5.000 1.00 15.00 H new ATOM 1088 N LYS A 66 13.934 11.426 -3.393 1.00 15.00 N ATOM 1089 CA LYS A 66 13.675 12.781 -3.813 1.00 15.00 C ATOM 1090 C LYS A 66 12.845 13.415 -2.760 1.00 15.00 C ATOM 1091 O LYS A 66 11.778 12.870 -2.423 1.00 15.00 O ATOM 1092 CB LYS A 66 12.964 12.826 -5.172 1.00 15.00 C ATOM 1093 CG LYS A 66 13.805 12.251 -6.290 1.00 15.00 C ATOM 1094 CD LYS A 66 13.178 12.465 -7.649 1.00 15.00 C ATOM 1095 CE LYS A 66 14.024 11.817 -8.737 1.00 15.00 C ATOM 1096 NZ LYS A 66 15.421 12.328 -8.732 1.00 15.00 N ATOM 0 H LYS A 66 13.209 10.740 -3.601 1.00 15.00 H new ATOM 0 HA LYS A 66 14.614 13.319 -3.942 1.00 15.00 H new ATOM 0 HB2 LYS A 66 12.027 12.272 -5.106 1.00 15.00 H new ATOM 0 HB3 LYS A 66 12.708 13.859 -5.410 1.00 15.00 H new ATOM 0 HG2 LYS A 66 14.793 12.711 -6.272 1.00 15.00 H new ATOM 0 HG3 LYS A 66 13.947 11.183 -6.122 1.00 15.00 H new ATOM 0 HD2 LYS A 66 12.173 12.043 -7.662 1.00 15.00 H new ATOM 0 HD3 LYS A 66 13.078 13.532 -7.846 1.00 15.00 H new ATOM 0 HE2 LYS A 66 14.032 10.736 -8.595 1.00 15.00 H new ATOM 0 HE3 LYS A 66 13.571 12.007 -9.710 1.00 15.00 H new ATOM 0 HZ1 LYS A 66 15.823 12.249 -9.688 1.00 15.00 H new ATOM 0 HZ2 LYS A 66 15.425 13.325 -8.436 1.00 15.00 H new ATOM 0 HZ3 LYS A 66 15.993 11.768 -8.068 1.00 15.00 H new ATOM 1110 N GLU A 67 13.237 14.534 -2.249 1.00 15.00 N ATOM 1111 CA GLU A 67 12.577 15.031 -1.108 1.00 15.00 C ATOM 1112 C GLU A 67 12.119 16.482 -1.257 1.00 15.00 C ATOM 1113 O GLU A 67 12.904 17.353 -1.643 1.00 15.00 O ATOM 1114 CB GLU A 67 13.540 14.845 0.069 1.00 15.00 C ATOM 1115 CG GLU A 67 13.087 15.438 1.359 1.00 15.00 C ATOM 1116 CD GLU A 67 11.696 15.040 1.743 1.00 15.00 C ATOM 1117 OE1 GLU A 67 11.472 13.881 2.117 1.00 15.00 O ATOM 1118 OE2 GLU A 67 10.835 15.900 1.704 1.00 15.00 O ATOM 0 H GLU A 67 14.001 15.109 -2.603 1.00 15.00 H new ATOM 0 HA GLU A 67 11.651 14.479 -0.946 1.00 15.00 H new ATOM 0 HB2 GLU A 67 13.706 13.778 0.217 1.00 15.00 H new ATOM 0 HB3 GLU A 67 14.502 15.284 -0.196 1.00 15.00 H new ATOM 0 HG2 GLU A 67 13.774 15.136 2.150 1.00 15.00 H new ATOM 0 HG3 GLU A 67 13.139 16.524 1.289 1.00 15.00 H new ATOM 1125 N ILE A 68 10.817 16.678 -1.085 1.00 15.00 N ATOM 1126 CA ILE A 68 10.208 17.975 -0.932 1.00 15.00 C ATOM 1127 C ILE A 68 10.851 18.813 0.215 1.00 15.00 C ATOM 1128 O ILE A 68 11.775 19.558 -0.083 1.00 15.00 O ATOM 1129 CB ILE A 68 8.631 17.888 -0.887 1.00 15.00 C ATOM 1130 CG1 ILE A 68 7.959 19.263 -0.806 1.00 15.00 C ATOM 1131 CG2 ILE A 68 8.089 16.921 0.151 1.00 15.00 C ATOM 1132 CD1 ILE A 68 8.065 20.061 -2.086 1.00 15.00 C ATOM 0 H ILE A 68 10.145 15.911 -1.048 1.00 15.00 H new ATOM 0 HA ILE A 68 10.431 18.547 -1.833 1.00 15.00 H new ATOM 0 HB ILE A 68 8.355 17.459 -1.850 1.00 15.00 H new ATOM 0 HG12 ILE A 68 6.906 19.130 -0.556 1.00 15.00 H new ATOM 0 HG13 ILE A 68 8.411 19.832 0.007 1.00 15.00 H new ATOM 0 HG21 ILE A 68 7.000 16.922 0.115 1.00 15.00 H new ATOM 0 HG22 ILE A 68 8.458 15.917 -0.059 1.00 15.00 H new ATOM 0 HG23 ILE A 68 8.420 17.229 1.143 1.00 15.00 H new ATOM 0 HD11 ILE A 68 7.568 21.023 -1.957 1.00 15.00 H new ATOM 0 HD12 ILE A 68 9.115 20.225 -2.327 1.00 15.00 H new ATOM 0 HD13 ILE A 68 7.588 19.512 -2.898 1.00 15.00 H new ATOM 1144 N THR A 69 10.419 18.712 1.487 1.00 15.00 N ATOM 1145 CA THR A 69 11.050 19.535 2.586 1.00 15.00 C ATOM 1146 C THR A 69 10.788 21.087 2.434 1.00 15.00 C ATOM 1147 O THR A 69 10.706 21.784 3.461 1.00 15.00 O ATOM 1148 CB THR A 69 12.563 19.207 2.766 1.00 15.00 C ATOM 1149 OG1 THR A 69 12.684 17.820 3.068 1.00 15.00 O ATOM 1150 CG2 THR A 69 13.198 20.007 3.898 1.00 15.00 C ATOM 0 H THR A 69 9.664 18.097 1.792 1.00 15.00 H new ATOM 0 HA THR A 69 10.546 19.241 3.507 1.00 15.00 H new ATOM 0 HB THR A 69 13.080 19.469 1.843 1.00 15.00 H new ATOM 0 HG1 THR A 69 13.630 17.592 3.184 1.00 15.00 H new ATOM 0 HG21 THR A 69 14.252 19.743 3.983 1.00 15.00 H new ATOM 0 HG22 THR A 69 13.107 21.072 3.686 1.00 15.00 H new ATOM 0 HG23 THR A 69 12.690 19.778 4.835 1.00 15.00 H new ATOM 1158 N LEU A 70 10.637 21.603 1.207 1.00 15.00 N ATOM 1159 CA LEU A 70 10.210 22.967 0.945 1.00 15.00 C ATOM 1160 C LEU A 70 9.112 23.494 1.847 1.00 15.00 C ATOM 1161 O LEU A 70 9.372 24.256 2.777 1.00 15.00 O ATOM 1162 CB LEU A 70 9.534 22.929 -0.479 1.00 15.00 C ATOM 1163 CG LEU A 70 10.447 23.160 -1.708 1.00 15.00 C ATOM 1164 CD1 LEU A 70 11.491 22.075 -1.889 1.00 15.00 C ATOM 1165 CD2 LEU A 70 9.609 23.314 -2.962 1.00 15.00 C ATOM 0 H LEU A 70 10.814 21.066 0.358 1.00 15.00 H new ATOM 0 HA LEU A 70 11.090 23.597 1.076 1.00 15.00 H new ATOM 0 HB2 LEU A 70 9.050 21.959 -0.596 1.00 15.00 H new ATOM 0 HB3 LEU A 70 8.747 23.682 -0.498 1.00 15.00 H new ATOM 0 HG LEU A 70 10.996 24.083 -1.523 1.00 15.00 H new ATOM 0 HD11 LEU A 70 12.097 22.297 -2.767 1.00 15.00 H new ATOM 0 HD12 LEU A 70 12.130 22.035 -1.007 1.00 15.00 H new ATOM 0 HD13 LEU A 70 10.996 21.113 -2.023 1.00 15.00 H new ATOM 0 HD21 LEU A 70 10.263 23.476 -3.819 1.00 15.00 H new ATOM 0 HD22 LEU A 70 9.021 22.410 -3.120 1.00 15.00 H new ATOM 0 HD23 LEU A 70 8.940 24.167 -2.850 1.00 15.00 H new ATOM 1177 N GLN A 71 7.889 23.100 1.576 1.00 15.00 N ATOM 1178 CA GLN A 71 6.770 23.611 2.281 1.00 15.00 C ATOM 1179 C GLN A 71 5.621 22.626 2.406 1.00 15.00 C ATOM 1180 O GLN A 71 5.479 21.699 1.616 1.00 15.00 O ATOM 1181 CB GLN A 71 6.322 24.871 1.490 1.00 15.00 C ATOM 1182 CG GLN A 71 5.207 25.676 2.134 1.00 15.00 C ATOM 1183 CD GLN A 71 4.911 26.952 1.393 1.00 15.00 C ATOM 1184 OE1 GLN A 71 5.794 27.534 0.758 1.00 15.00 O ATOM 1185 NE2 GLN A 71 3.696 27.402 1.472 1.00 15.00 N ATOM 0 H GLN A 71 7.657 22.415 0.857 1.00 15.00 H new ATOM 0 HA GLN A 71 7.055 23.832 3.310 1.00 15.00 H new ATOM 0 HB2 GLN A 71 7.186 25.521 1.354 1.00 15.00 H new ATOM 0 HB3 GLN A 71 5.997 24.561 0.497 1.00 15.00 H new ATOM 0 HG2 GLN A 71 4.304 25.068 2.178 1.00 15.00 H new ATOM 0 HG3 GLN A 71 5.482 25.913 3.162 1.00 15.00 H new ATOM 0 HE21 GLN A 71 2.996 26.889 2.008 1.00 15.00 H new ATOM 0 HE22 GLN A 71 3.441 28.268 0.998 1.00 15.00 H new ATOM 1194 N GLU A 72 4.823 22.898 3.412 1.00 15.00 N ATOM 1195 CA GLU A 72 3.593 22.235 3.829 1.00 15.00 C ATOM 1196 C GLU A 72 2.426 22.524 2.854 1.00 15.00 C ATOM 1197 O GLU A 72 1.263 22.650 3.260 1.00 15.00 O ATOM 1198 CB GLU A 72 3.300 22.889 5.235 1.00 15.00 C ATOM 1199 CG GLU A 72 2.031 22.473 5.991 1.00 15.00 C ATOM 1200 CD GLU A 72 1.974 21.030 6.366 1.00 15.00 C ATOM 1201 OE1 GLU A 72 2.785 20.604 7.186 1.00 15.00 O ATOM 1202 OE2 GLU A 72 1.054 20.314 5.879 1.00 15.00 O ATOM 0 H GLU A 72 5.039 23.677 4.034 1.00 15.00 H new ATOM 0 HA GLU A 72 3.692 21.150 3.855 1.00 15.00 H new ATOM 0 HB2 GLU A 72 4.153 22.680 5.881 1.00 15.00 H new ATOM 0 HB3 GLU A 72 3.263 23.969 5.096 1.00 15.00 H new ATOM 0 HG2 GLU A 72 1.951 23.073 6.897 1.00 15.00 H new ATOM 0 HG3 GLU A 72 1.163 22.709 5.375 1.00 15.00 H new ATOM 1209 N LEU A 73 2.656 22.576 1.574 1.00 15.00 N ATOM 1210 CA LEU A 73 1.602 23.036 0.723 1.00 15.00 C ATOM 1211 C LEU A 73 1.276 21.972 -0.309 1.00 15.00 C ATOM 1212 O LEU A 73 2.129 21.142 -0.646 1.00 15.00 O ATOM 1213 CB LEU A 73 1.973 24.413 0.067 1.00 15.00 C ATOM 1214 CG LEU A 73 2.956 24.489 -1.160 1.00 15.00 C ATOM 1215 CD1 LEU A 73 4.153 23.555 -1.067 1.00 15.00 C ATOM 1216 CD2 LEU A 73 2.222 24.324 -2.480 1.00 15.00 C ATOM 0 H LEU A 73 3.528 22.317 1.112 1.00 15.00 H new ATOM 0 HA LEU A 73 0.705 23.208 1.318 1.00 15.00 H new ATOM 0 HB2 LEU A 73 1.039 24.881 -0.243 1.00 15.00 H new ATOM 0 HB3 LEU A 73 2.396 25.038 0.854 1.00 15.00 H new ATOM 0 HG LEU A 73 3.374 25.495 -1.123 1.00 15.00 H new ATOM 0 HD11 LEU A 73 4.776 23.673 -1.953 1.00 15.00 H new ATOM 0 HD12 LEU A 73 4.736 23.798 -0.178 1.00 15.00 H new ATOM 0 HD13 LEU A 73 3.806 22.524 -1.003 1.00 15.00 H new ATOM 0 HD21 LEU A 73 2.935 24.382 -3.302 1.00 15.00 H new ATOM 0 HD22 LEU A 73 1.723 23.355 -2.500 1.00 15.00 H new ATOM 0 HD23 LEU A 73 1.481 25.116 -2.586 1.00 15.00 H new ATOM 1228 N ILE A 74 0.061 21.972 -0.769 1.00 15.00 N ATOM 1229 CA ILE A 74 -0.376 21.106 -1.844 1.00 15.00 C ATOM 1230 C ILE A 74 -1.738 21.601 -2.298 1.00 15.00 C ATOM 1231 O ILE A 74 -2.311 22.487 -1.523 1.00 15.00 O ATOM 1232 CB ILE A 74 -0.410 19.590 -1.457 1.00 15.00 C ATOM 1233 CG1 ILE A 74 -0.699 18.704 -2.681 1.00 15.00 C ATOM 1234 CG2 ILE A 74 -1.419 19.319 -0.340 1.00 15.00 C ATOM 1235 CD1 ILE A 74 0.379 18.749 -3.748 1.00 15.00 C ATOM 0 H ILE A 74 -0.673 22.581 -0.408 1.00 15.00 H new ATOM 0 HA ILE A 74 0.349 21.158 -2.656 1.00 15.00 H new ATOM 0 HB ILE A 74 0.580 19.331 -1.082 1.00 15.00 H new ATOM 0 HG12 ILE A 74 -0.823 17.673 -2.349 1.00 15.00 H new ATOM 0 HG13 ILE A 74 -1.646 19.012 -3.124 1.00 15.00 H new ATOM 0 HG21 ILE A 74 -1.416 18.256 -0.097 1.00 15.00 H new ATOM 0 HG22 ILE A 74 -1.146 19.894 0.545 1.00 15.00 H new ATOM 0 HG23 ILE A 74 -2.415 19.613 -0.671 1.00 15.00 H new ATOM 0 HD11 ILE A 74 0.099 18.098 -4.576 1.00 15.00 H new ATOM 0 HD12 ILE A 74 0.489 19.771 -4.111 1.00 15.00 H new ATOM 0 HD13 ILE A 74 1.325 18.411 -3.324 1.00 15.00 H new TER 1247 ILE A 74