USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 LYS NZ :NH3+ 159:sc= -0.403 (180deg=-1.61!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -165:sc=-0.000894 (180deg=-0.087) USER MOD Single : A 1 PHE N :NH3+ 169:sc= -0.0153 (180deg=-0.323) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0792 X(o=-0.079,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00545) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.0137 USER MOD Single : A 19 SER OG : rot 180:sc= 0.00926 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00506) USER MOD Single : A 26 LYS NZ :NH3+ -109:sc= -0.675 (180deg=-4.2!) USER MOD Single : A 29 HIS : no HD1:sc= -0.868 K(o=-0.87,f=-0.18) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0132) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -169:sc= -2.13 (180deg=-2.45!) USER MOD Single : A 46 ASN : amide:sc= -0.652 K(o=-0.65,f=-2.8!) USER MOD Single : A 47 ASN : amide:sc= -0.145 K(o=-0.14,f=-0.84) USER MOD Single : A 48 THR OG1 : rot 24:sc= 0.449 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -4.11! C(o=-4.1!,f=-12!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.742 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc=-0.00206 (180deg=-0.14) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= -2.77! (180deg=-2.98!) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc=-0.000432 (180deg=-0.149) USER MOD Single : A 67 TYR OH : rot -80:sc= 0.12 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 13.215 30.470 16.511 1.00 0.00 N ATOM 2 CA PHE A 1 13.985 30.578 15.251 1.00 0.00 C ATOM 3 C PHE A 1 15.045 29.480 15.197 1.00 0.00 C ATOM 4 O PHE A 1 16.092 29.651 14.604 1.00 0.00 O ATOM 5 CB PHE A 1 14.681 31.957 15.176 1.00 0.00 C ATOM 6 CG PHE A 1 14.993 32.292 13.715 1.00 0.00 C ATOM 7 CD1 PHE A 1 13.972 32.626 12.841 1.00 0.00 C ATOM 8 CD2 PHE A 1 16.296 32.267 13.246 1.00 0.00 C ATOM 9 CE1 PHE A 1 14.250 32.929 11.525 1.00 0.00 C ATOM 10 CE2 PHE A 1 16.569 32.571 11.927 1.00 0.00 C ATOM 11 CZ PHE A 1 15.547 32.900 11.069 1.00 0.00 C ATOM 0 H1 PHE A 1 12.627 31.319 16.632 1.00 0.00 H new ATOM 0 H2 PHE A 1 12.605 29.629 16.474 1.00 0.00 H new ATOM 0 H3 PHE A 1 13.872 30.386 17.313 1.00 0.00 H new ATOM 0 HA PHE A 1 13.301 30.469 14.410 1.00 0.00 H new ATOM 0 HB2 PHE A 1 14.038 32.725 15.607 1.00 0.00 H new ATOM 0 HB3 PHE A 1 15.600 31.945 15.762 1.00 0.00 H new ATOM 0 HD1 PHE A 1 12.951 32.649 13.193 1.00 0.00 H new ATOM 0 HD2 PHE A 1 17.103 32.008 13.916 1.00 0.00 H new ATOM 0 HE1 PHE A 1 13.447 33.190 10.851 1.00 0.00 H new ATOM 0 HE2 PHE A 1 17.588 32.550 11.569 1.00 0.00 H new ATOM 0 HZ PHE A 1 15.762 33.136 10.037 1.00 0.00 H new ATOM 23 N LYS A 2 14.750 28.369 15.821 1.00 0.00 N ATOM 24 CA LYS A 2 15.723 27.249 15.821 1.00 0.00 C ATOM 25 C LYS A 2 15.771 26.571 14.457 1.00 0.00 C ATOM 26 O LYS A 2 14.758 26.400 13.810 1.00 0.00 O ATOM 27 CB LYS A 2 15.268 26.207 16.859 1.00 0.00 C ATOM 28 CG LYS A 2 15.009 26.896 18.204 1.00 0.00 C ATOM 29 CD LYS A 2 14.931 25.827 19.311 1.00 0.00 C ATOM 30 CE LYS A 2 14.227 26.413 20.538 1.00 0.00 C ATOM 31 NZ LYS A 2 14.183 25.413 21.641 1.00 0.00 N ATOM 0 H LYS A 2 13.881 28.194 16.326 1.00 0.00 H new ATOM 0 HA LYS A 2 16.711 27.643 16.058 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.362 25.708 16.515 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.031 25.438 16.975 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.807 27.606 18.422 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.079 27.463 18.163 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.388 24.953 18.950 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.933 25.492 19.579 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.751 27.309 20.872 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.214 26.716 20.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.702 25.826 22.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.664 24.570 21.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.152 25.144 21.904 1.00 0.00 H new ATOM 45 N ASP A 3 16.950 26.194 14.044 1.00 0.00 N ATOM 46 CA ASP A 3 17.079 25.524 12.727 1.00 0.00 C ATOM 47 C ASP A 3 18.501 24.974 12.516 1.00 0.00 C ATOM 48 O ASP A 3 19.208 25.410 11.629 1.00 0.00 O ATOM 49 CB ASP A 3 16.781 26.561 11.628 1.00 0.00 C ATOM 50 CG ASP A 3 16.432 25.838 10.325 1.00 0.00 C ATOM 51 OD1 ASP A 3 15.269 25.496 10.189 1.00 0.00 O ATOM 52 OD2 ASP A 3 17.351 25.668 9.539 1.00 0.00 O ATOM 0 H ASP A 3 17.821 26.321 14.559 1.00 0.00 H new ATOM 0 HA ASP A 3 16.379 24.689 12.686 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.954 27.203 11.933 1.00 0.00 H new ATOM 0 HB3 ASP A 3 17.647 27.206 11.478 1.00 0.00 H new ATOM 57 N PRO A 4 18.899 24.015 13.349 1.00 0.00 N ATOM 58 CA PRO A 4 20.230 23.426 13.231 1.00 0.00 C ATOM 59 C PRO A 4 20.342 22.639 11.925 1.00 0.00 C ATOM 60 O PRO A 4 20.971 23.077 10.981 1.00 0.00 O ATOM 61 CB PRO A 4 20.357 22.468 14.462 1.00 0.00 C ATOM 62 CG PRO A 4 18.963 22.458 15.182 1.00 0.00 C ATOM 63 CD PRO A 4 18.057 23.476 14.439 1.00 0.00 C ATOM 0 HA PRO A 4 21.018 24.179 13.217 1.00 0.00 H new ATOM 0 HB2 PRO A 4 20.633 21.463 14.142 1.00 0.00 H new ATOM 0 HB3 PRO A 4 21.138 22.812 15.139 1.00 0.00 H new ATOM 0 HG2 PRO A 4 18.523 21.461 15.156 1.00 0.00 H new ATOM 0 HG3 PRO A 4 19.070 22.732 16.232 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.163 22.994 14.045 1.00 0.00 H new ATOM 0 HD3 PRO A 4 17.723 24.269 15.108 1.00 0.00 H new ATOM 71 N ASN A 5 19.718 21.485 11.906 1.00 0.00 N ATOM 72 CA ASN A 5 19.750 20.623 10.686 1.00 0.00 C ATOM 73 C ASN A 5 18.342 20.479 10.126 1.00 0.00 C ATOM 74 O ASN A 5 18.161 19.925 9.059 1.00 0.00 O ATOM 75 CB ASN A 5 20.276 19.221 11.098 1.00 0.00 C ATOM 76 CG ASN A 5 21.805 19.200 11.017 1.00 0.00 C ATOM 77 OD1 ASN A 5 22.493 19.335 12.008 1.00 0.00 O ATOM 78 ND2 ASN A 5 22.372 19.033 9.855 1.00 0.00 N ATOM 0 H ASN A 5 19.186 21.103 12.688 1.00 0.00 H new ATOM 0 HA ASN A 5 20.395 21.069 9.929 1.00 0.00 H new ATOM 0 HB2 ASN A 5 19.952 18.984 12.111 1.00 0.00 H new ATOM 0 HB3 ASN A 5 19.857 18.457 10.443 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.389 19.016 9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 5 21.798 18.919 9.019 1.00 0.00 H new ATOM 85 N ALA A 6 17.370 21.009 10.873 1.00 0.00 N ATOM 86 CA ALA A 6 15.912 20.943 10.452 1.00 0.00 C ATOM 87 C ALA A 6 15.746 20.615 8.954 1.00 0.00 C ATOM 88 O ALA A 6 15.586 21.496 8.133 1.00 0.00 O ATOM 89 CB ALA A 6 15.310 22.327 10.717 1.00 0.00 C ATOM 0 H ALA A 6 17.530 21.486 11.760 1.00 0.00 H new ATOM 0 HA ALA A 6 15.417 20.151 11.014 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.259 22.328 10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.395 22.564 11.777 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.847 23.075 10.134 1.00 0.00 H new ATOM 95 N PRO A 7 15.784 19.315 8.635 1.00 0.00 N ATOM 96 CA PRO A 7 15.650 18.834 7.273 1.00 0.00 C ATOM 97 C PRO A 7 14.198 18.448 6.956 1.00 0.00 C ATOM 98 O PRO A 7 13.267 18.945 7.560 1.00 0.00 O ATOM 99 CB PRO A 7 16.530 17.568 7.322 1.00 0.00 C ATOM 100 CG PRO A 7 16.344 17.007 8.739 1.00 0.00 C ATOM 101 CD PRO A 7 16.005 18.228 9.613 1.00 0.00 C ATOM 0 HA PRO A 7 15.930 19.567 6.516 1.00 0.00 H new ATOM 0 HB2 PRO A 7 16.222 16.844 6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 7 17.575 17.807 7.126 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.544 16.267 8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 7 17.250 16.511 9.089 1.00 0.00 H new ATOM 0 HD2 PRO A 7 15.117 18.051 10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 7 16.818 18.467 10.299 1.00 0.00 H new ATOM 109 N LYS A 8 14.051 17.554 6.014 1.00 0.00 N ATOM 110 CA LYS A 8 12.692 17.081 5.604 1.00 0.00 C ATOM 111 C LYS A 8 12.666 15.566 5.645 1.00 0.00 C ATOM 112 O LYS A 8 13.494 14.913 5.040 1.00 0.00 O ATOM 113 CB LYS A 8 12.430 17.519 4.170 1.00 0.00 C ATOM 114 CG LYS A 8 12.237 19.043 4.114 1.00 0.00 C ATOM 115 CD LYS A 8 12.181 19.491 2.644 1.00 0.00 C ATOM 116 CE LYS A 8 12.257 21.020 2.570 1.00 0.00 C ATOM 117 NZ LYS A 8 11.001 21.633 3.085 1.00 0.00 N ATOM 0 H LYS A 8 14.823 17.125 5.504 1.00 0.00 H new ATOM 0 HA LYS A 8 11.939 17.495 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.265 17.226 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.543 17.017 3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.318 19.324 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.056 19.545 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.006 19.048 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.259 19.140 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.107 21.376 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.424 21.332 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.058 22.668 2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.192 21.282 2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.875 21.378 4.086 1.00 0.00 H new ATOM 131 N ARG A 9 11.716 15.029 6.344 1.00 0.00 N ATOM 132 CA ARG A 9 11.614 13.548 6.449 1.00 0.00 C ATOM 133 C ARG A 9 10.586 12.940 5.432 1.00 0.00 C ATOM 134 O ARG A 9 9.535 13.508 5.223 1.00 0.00 O ATOM 135 CB ARG A 9 11.121 13.246 7.885 1.00 0.00 C ATOM 136 CG ARG A 9 11.701 14.305 8.873 1.00 0.00 C ATOM 137 CD ARG A 9 10.778 15.563 8.959 1.00 0.00 C ATOM 138 NE ARG A 9 10.170 15.619 10.328 1.00 0.00 N ATOM 139 CZ ARG A 9 9.030 15.010 10.572 1.00 0.00 C ATOM 140 NH1 ARG A 9 8.431 14.357 9.611 1.00 0.00 N ATOM 141 NH2 ARG A 9 8.533 15.070 11.778 1.00 0.00 N ATOM 0 H ARG A 9 11.001 15.550 6.851 1.00 0.00 H new ATOM 0 HA ARG A 9 12.585 13.106 6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.032 13.263 7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.433 12.246 8.184 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.809 13.862 9.863 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.697 14.603 8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.353 16.468 8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.997 15.512 8.200 1.00 0.00 H new ATOM 0 HE ARG A 9 10.642 16.131 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.848 14.323 8.681 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.547 13.882 9.791 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.028 15.582 12.509 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.650 14.605 11.989 1.00 0.00 H new ATOM 155 N PRO A 10 10.917 11.776 4.814 1.00 0.00 N ATOM 156 CA PRO A 10 10.000 11.140 3.848 1.00 0.00 C ATOM 157 C PRO A 10 8.728 10.656 4.565 1.00 0.00 C ATOM 158 O PRO A 10 8.679 10.632 5.780 1.00 0.00 O ATOM 159 CB PRO A 10 10.794 9.902 3.306 1.00 0.00 C ATOM 160 CG PRO A 10 12.069 9.751 4.197 1.00 0.00 C ATOM 161 CD PRO A 10 12.202 11.057 5.017 1.00 0.00 C ATOM 0 HA PRO A 10 9.693 11.826 3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.182 9.001 3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.069 10.047 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.979 8.888 4.857 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.954 9.590 3.581 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.372 10.844 6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.046 11.654 4.673 1.00 0.00 H new ATOM 169 N PRO A 11 7.715 10.277 3.803 1.00 0.00 N ATOM 170 CA PRO A 11 6.478 9.801 4.391 1.00 0.00 C ATOM 171 C PRO A 11 6.712 8.371 4.876 1.00 0.00 C ATOM 172 O PRO A 11 7.805 8.032 5.287 1.00 0.00 O ATOM 173 CB PRO A 11 5.466 9.836 3.211 1.00 0.00 C ATOM 174 CG PRO A 11 6.319 9.743 1.927 1.00 0.00 C ATOM 175 CD PRO A 11 7.725 10.288 2.316 1.00 0.00 C ATOM 0 HA PRO A 11 6.122 10.387 5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.762 9.006 3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.879 10.754 3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.382 8.714 1.572 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.880 10.332 1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.521 9.659 1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.886 11.293 1.925 1.00 0.00 H new ATOM 183 N SER A 12 5.709 7.569 4.829 1.00 0.00 N ATOM 184 CA SER A 12 5.877 6.159 5.286 1.00 0.00 C ATOM 185 C SER A 12 6.250 5.293 4.093 1.00 0.00 C ATOM 186 O SER A 12 5.705 5.453 3.024 1.00 0.00 O ATOM 187 CB SER A 12 4.542 5.661 5.862 1.00 0.00 C ATOM 188 OG SER A 12 4.772 4.285 6.130 1.00 0.00 O ATOM 0 H SER A 12 4.776 7.815 4.497 1.00 0.00 H new ATOM 0 HA SER A 12 6.657 6.104 6.045 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.271 6.204 6.768 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.726 5.798 5.153 1.00 0.00 H new ATOM 0 HG SER A 12 3.960 3.885 6.506 1.00 0.00 H new ATOM 194 N ALA A 13 7.183 4.401 4.276 1.00 0.00 N ATOM 195 CA ALA A 13 7.576 3.537 3.136 1.00 0.00 C ATOM 196 C ALA A 13 6.358 2.952 2.475 1.00 0.00 C ATOM 197 O ALA A 13 6.362 2.660 1.294 1.00 0.00 O ATOM 198 CB ALA A 13 8.429 2.377 3.662 1.00 0.00 C ATOM 0 H ALA A 13 7.681 4.236 5.151 1.00 0.00 H new ATOM 0 HA ALA A 13 8.131 4.140 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.723 1.736 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.321 2.772 4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.851 1.797 4.381 1.00 0.00 H new ATOM 204 N PHE A 14 5.324 2.785 3.249 1.00 0.00 N ATOM 205 CA PHE A 14 4.079 2.212 2.693 1.00 0.00 C ATOM 206 C PHE A 14 3.212 3.296 2.047 1.00 0.00 C ATOM 207 O PHE A 14 2.368 3.001 1.246 1.00 0.00 O ATOM 208 CB PHE A 14 3.329 1.472 3.855 1.00 0.00 C ATOM 209 CG PHE A 14 1.863 1.904 4.001 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.555 3.194 4.334 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.838 0.987 3.814 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.239 3.585 4.482 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.473 1.372 3.959 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.775 2.673 4.295 1.00 0.00 C ATOM 0 H PHE A 14 5.291 3.022 4.241 1.00 0.00 H new ATOM 0 HA PHE A 14 4.310 1.500 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.368 0.397 3.678 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.851 1.659 4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.347 3.913 4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.072 -0.035 3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.005 4.606 4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.266 0.655 3.810 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.805 2.977 4.411 1.00 0.00 H new ATOM 224 N PHE A 15 3.414 4.522 2.428 1.00 0.00 N ATOM 225 CA PHE A 15 2.590 5.594 1.815 1.00 0.00 C ATOM 226 C PHE A 15 2.820 5.566 0.328 1.00 0.00 C ATOM 227 O PHE A 15 1.914 5.754 -0.471 1.00 0.00 O ATOM 228 CB PHE A 15 3.049 6.963 2.352 1.00 0.00 C ATOM 229 CG PHE A 15 2.261 8.071 1.641 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.880 8.131 1.746 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.917 9.024 0.878 1.00 0.00 C ATOM 232 CE1 PHE A 15 0.173 9.123 1.100 1.00 0.00 C ATOM 233 CE2 PHE A 15 2.204 10.016 0.234 1.00 0.00 C ATOM 234 CZ PHE A 15 0.834 10.064 0.346 1.00 0.00 C ATOM 0 H PHE A 15 4.098 4.825 3.122 1.00 0.00 H new ATOM 0 HA PHE A 15 1.537 5.439 2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.887 7.018 3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.118 7.094 2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.354 7.396 2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.993 8.991 0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.903 9.161 1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.723 10.755 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.278 10.840 -0.158 1.00 0.00 H new ATOM 244 N LEU A 16 4.043 5.307 -0.010 1.00 0.00 N ATOM 245 CA LEU A 16 4.424 5.243 -1.423 1.00 0.00 C ATOM 246 C LEU A 16 3.694 4.083 -2.087 1.00 0.00 C ATOM 247 O LEU A 16 3.443 4.083 -3.276 1.00 0.00 O ATOM 248 CB LEU A 16 5.948 4.960 -1.496 1.00 0.00 C ATOM 249 CG LEU A 16 6.716 5.815 -0.468 1.00 0.00 C ATOM 250 CD1 LEU A 16 8.214 5.479 -0.576 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.492 7.310 -0.756 1.00 0.00 C ATOM 0 H LEU A 16 4.802 5.135 0.649 1.00 0.00 H new ATOM 0 HA LEU A 16 4.172 6.178 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.135 3.903 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.314 5.175 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 16 6.357 5.599 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.774 6.075 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.365 4.420 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.566 5.703 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.038 7.907 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.851 7.545 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.428 7.538 -0.689 1.00 0.00 H new ATOM 263 N PHE A 17 3.372 3.112 -1.278 1.00 0.00 N ATOM 264 CA PHE A 17 2.663 1.913 -1.768 1.00 0.00 C ATOM 265 C PHE A 17 1.150 2.102 -1.669 1.00 0.00 C ATOM 266 O PHE A 17 0.398 1.535 -2.428 1.00 0.00 O ATOM 267 CB PHE A 17 3.129 0.785 -0.840 1.00 0.00 C ATOM 268 CG PHE A 17 2.238 -0.437 -0.894 1.00 0.00 C ATOM 269 CD1 PHE A 17 1.021 -0.438 -0.237 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.682 -1.595 -1.494 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.265 -1.579 -0.181 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.921 -2.739 -1.439 1.00 0.00 C ATOM 273 CZ PHE A 17 0.713 -2.729 -0.777 1.00 0.00 C ATOM 0 H PHE A 17 3.578 3.106 -0.279 1.00 0.00 H new ATOM 0 HA PHE A 17 2.879 1.704 -2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.145 0.498 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.164 1.157 0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.665 0.466 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.631 -1.604 -2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.685 -1.572 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.270 -3.644 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.118 -3.629 -0.728 1.00 0.00 H new ATOM 283 N CYS A 18 0.735 2.898 -0.725 1.00 0.00 N ATOM 284 CA CYS A 18 -0.704 3.137 -0.560 1.00 0.00 C ATOM 285 C CYS A 18 -1.332 3.566 -1.883 1.00 0.00 C ATOM 286 O CYS A 18 -2.374 3.084 -2.265 1.00 0.00 O ATOM 287 CB CYS A 18 -0.890 4.268 0.470 1.00 0.00 C ATOM 288 SG CYS A 18 -2.580 4.817 0.809 1.00 0.00 S ATOM 0 H CYS A 18 1.339 3.389 -0.065 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.187 2.219 -0.225 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.447 3.943 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.318 5.131 0.130 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.558 5.768 1.695 1.00 0.00 H new ATOM 294 N SER A 19 -0.678 4.465 -2.559 1.00 0.00 N ATOM 295 CA SER A 19 -1.211 4.935 -3.842 1.00 0.00 C ATOM 296 C SER A 19 -1.103 3.868 -4.940 1.00 0.00 C ATOM 297 O SER A 19 -1.705 4.001 -5.988 1.00 0.00 O ATOM 298 CB SER A 19 -0.384 6.147 -4.262 1.00 0.00 C ATOM 299 OG SER A 19 0.950 5.662 -4.283 1.00 0.00 O ATOM 0 H SER A 19 0.203 4.889 -2.269 1.00 0.00 H new ATOM 0 HA SER A 19 -2.267 5.175 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.689 6.519 -5.240 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.498 6.971 -3.558 1.00 0.00 H new ATOM 0 HG SER A 19 1.557 6.385 -4.548 1.00 0.00 H new ATOM 305 N GLU A 20 -0.345 2.826 -4.685 1.00 0.00 N ATOM 306 CA GLU A 20 -0.200 1.758 -5.714 1.00 0.00 C ATOM 307 C GLU A 20 -1.362 0.767 -5.687 1.00 0.00 C ATOM 308 O GLU A 20 -2.039 0.589 -6.675 1.00 0.00 O ATOM 309 CB GLU A 20 1.116 0.983 -5.438 1.00 0.00 C ATOM 310 CG GLU A 20 1.231 -0.226 -6.390 1.00 0.00 C ATOM 311 CD GLU A 20 1.006 0.228 -7.833 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.570 1.256 -8.171 1.00 0.00 O ATOM 313 OE2 GLU A 20 0.285 -0.478 -8.518 1.00 0.00 O ATOM 0 H GLU A 20 0.172 2.674 -3.819 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.189 2.235 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.972 1.645 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.136 0.643 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.215 -0.685 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.497 -0.985 -6.119 1.00 0.00 H new ATOM 320 N TYR A 21 -1.560 0.127 -4.560 1.00 0.00 N ATOM 321 CA TYR A 21 -2.668 -0.861 -4.447 1.00 0.00 C ATOM 322 C TYR A 21 -3.984 -0.232 -4.022 1.00 0.00 C ATOM 323 O TYR A 21 -4.873 -0.913 -3.564 1.00 0.00 O ATOM 324 CB TYR A 21 -2.236 -1.884 -3.386 1.00 0.00 C ATOM 325 CG TYR A 21 -1.319 -2.911 -4.017 1.00 0.00 C ATOM 326 CD1 TYR A 21 -1.835 -4.058 -4.572 1.00 0.00 C ATOM 327 CD2 TYR A 21 0.041 -2.709 -4.026 1.00 0.00 C ATOM 328 CE1 TYR A 21 -0.998 -5.000 -5.132 1.00 0.00 C ATOM 329 CE2 TYR A 21 0.882 -3.645 -4.582 1.00 0.00 C ATOM 330 CZ TYR A 21 0.371 -4.800 -5.142 1.00 0.00 C ATOM 331 OH TYR A 21 1.212 -5.739 -5.700 1.00 0.00 O ATOM 0 H TYR A 21 -1.000 0.249 -3.716 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.842 -1.311 -5.425 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.725 -1.379 -2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.112 -2.375 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.902 -4.222 -4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.452 -1.809 -3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.413 -5.898 -5.565 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.949 -3.476 -4.581 1.00 0.00 H new ATOM 0 HH TYR A 21 2.140 -5.435 -5.621 1.00 0.00 H new ATOM 341 N ARG A 22 -4.097 1.030 -4.197 1.00 0.00 N ATOM 342 CA ARG A 22 -5.363 1.703 -3.799 1.00 0.00 C ATOM 343 C ARG A 22 -6.549 1.354 -4.753 1.00 0.00 C ATOM 344 O ARG A 22 -7.658 1.154 -4.301 1.00 0.00 O ATOM 345 CB ARG A 22 -5.127 3.256 -3.792 1.00 0.00 C ATOM 346 CG ARG A 22 -5.677 3.866 -2.480 1.00 0.00 C ATOM 347 CD ARG A 22 -5.781 5.385 -2.637 1.00 0.00 C ATOM 348 NE ARG A 22 -6.319 5.968 -1.377 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.784 7.189 -1.381 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.761 7.870 -2.494 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.257 7.687 -0.271 1.00 0.00 N ATOM 0 H ARG A 22 -3.380 1.637 -4.595 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.638 1.347 -2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.063 3.471 -3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.621 3.712 -4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.656 3.444 -2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.020 3.619 -1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.801 5.808 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.433 5.633 -3.475 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.324 5.419 -0.518 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.384 7.448 -3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.120 8.825 -2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.259 7.125 0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.624 8.638 -0.255 1.00 0.00 H new ATOM 365 N PRO A 23 -6.287 1.286 -6.057 1.00 0.00 N ATOM 366 CA PRO A 23 -7.332 0.969 -7.036 1.00 0.00 C ATOM 367 C PRO A 23 -7.624 -0.542 -7.106 1.00 0.00 C ATOM 368 O PRO A 23 -8.751 -0.944 -7.308 1.00 0.00 O ATOM 369 CB PRO A 23 -6.739 1.456 -8.398 1.00 0.00 C ATOM 370 CG PRO A 23 -5.223 1.764 -8.147 1.00 0.00 C ATOM 371 CD PRO A 23 -4.964 1.542 -6.635 1.00 0.00 C ATOM 0 HA PRO A 23 -8.278 1.444 -6.775 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.856 0.692 -9.166 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.261 2.345 -8.751 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.591 1.109 -8.747 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.984 2.788 -8.434 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.291 0.701 -6.469 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.498 2.417 -6.182 1.00 0.00 H new ATOM 379 N LYS A 24 -6.605 -1.345 -6.932 1.00 0.00 N ATOM 380 CA LYS A 24 -6.818 -2.805 -6.991 1.00 0.00 C ATOM 381 C LYS A 24 -7.940 -3.233 -6.069 1.00 0.00 C ATOM 382 O LYS A 24 -8.883 -3.870 -6.492 1.00 0.00 O ATOM 383 CB LYS A 24 -5.516 -3.506 -6.561 1.00 0.00 C ATOM 384 CG LYS A 24 -4.382 -3.180 -7.584 1.00 0.00 C ATOM 385 CD LYS A 24 -3.457 -4.401 -7.748 1.00 0.00 C ATOM 386 CE LYS A 24 -2.132 -3.961 -8.386 1.00 0.00 C ATOM 387 NZ LYS A 24 -2.344 -3.566 -9.806 1.00 0.00 N ATOM 0 H LYS A 24 -5.646 -1.047 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.091 -3.080 -8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.226 -3.176 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.672 -4.583 -6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.816 -2.909 -8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.807 -2.320 -7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.270 -4.861 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.940 -5.155 -8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.713 -3.124 -7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.408 -4.774 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.433 -3.303 -10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.755 -4.364 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.992 -2.754 -9.847 1.00 0.00 H new ATOM 401 N ILE A 25 -7.826 -2.880 -4.822 1.00 0.00 N ATOM 402 CA ILE A 25 -8.883 -3.262 -3.864 1.00 0.00 C ATOM 403 C ILE A 25 -10.098 -2.354 -4.038 1.00 0.00 C ATOM 404 O ILE A 25 -11.181 -2.814 -4.343 1.00 0.00 O ATOM 405 CB ILE A 25 -8.329 -3.114 -2.414 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.180 -2.082 -2.378 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.776 -4.485 -1.945 1.00 0.00 C ATOM 408 CD1 ILE A 25 -7.045 -1.501 -0.954 1.00 0.00 C ATOM 0 H ILE A 25 -7.050 -2.347 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.183 -4.294 -4.046 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.134 -2.778 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.245 -2.554 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.376 -1.281 -3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.386 -4.392 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.577 -5.225 -1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.976 -4.803 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.233 -0.774 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.977 -1.013 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.829 -2.306 -0.252 1.00 0.00 H new ATOM 420 N LYS A 26 -9.893 -1.075 -3.844 1.00 0.00 N ATOM 421 CA LYS A 26 -11.016 -0.124 -3.992 1.00 0.00 C ATOM 422 C LYS A 26 -11.782 -0.432 -5.268 1.00 0.00 C ATOM 423 O LYS A 26 -12.939 -0.085 -5.410 1.00 0.00 O ATOM 424 CB LYS A 26 -10.431 1.304 -4.062 1.00 0.00 C ATOM 425 CG LYS A 26 -11.571 2.347 -3.975 1.00 0.00 C ATOM 426 CD LYS A 26 -11.981 2.554 -2.505 1.00 0.00 C ATOM 427 CE LYS A 26 -12.877 3.788 -2.402 1.00 0.00 C ATOM 428 NZ LYS A 26 -14.107 3.615 -3.224 1.00 0.00 N ATOM 0 H LYS A 26 -8.997 -0.658 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.699 -0.209 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.724 1.457 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.878 1.434 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.244 3.293 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.429 2.010 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.509 1.675 -2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.095 2.680 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.150 3.959 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.330 4.670 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.060 4.240 -4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.178 2.626 -3.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.942 3.858 -2.654 1.00 0.00 H new ATOM 442 N GLY A 27 -11.118 -1.099 -6.172 1.00 0.00 N ATOM 443 CA GLY A 27 -11.780 -1.447 -7.444 1.00 0.00 C ATOM 444 C GLY A 27 -12.908 -2.419 -7.151 1.00 0.00 C ATOM 445 O GLY A 27 -14.064 -2.131 -7.383 1.00 0.00 O ATOM 0 H GLY A 27 -10.152 -1.413 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.169 -0.550 -7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.064 -1.895 -8.133 1.00 0.00 H new ATOM 449 N GLU A 28 -12.541 -3.560 -6.641 1.00 0.00 N ATOM 450 CA GLU A 28 -13.547 -4.570 -6.316 1.00 0.00 C ATOM 451 C GLU A 28 -14.279 -4.153 -5.045 1.00 0.00 C ATOM 452 O GLU A 28 -15.119 -4.868 -4.538 1.00 0.00 O ATOM 453 CB GLU A 28 -12.815 -5.912 -6.080 1.00 0.00 C ATOM 454 CG GLU A 28 -12.670 -6.657 -7.413 1.00 0.00 C ATOM 455 CD GLU A 28 -11.638 -7.775 -7.259 1.00 0.00 C ATOM 456 OE1 GLU A 28 -11.305 -8.053 -6.119 1.00 0.00 O ATOM 457 OE2 GLU A 28 -11.239 -8.289 -8.291 1.00 0.00 O ATOM 0 H GLU A 28 -11.577 -3.825 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.269 -4.672 -7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.833 -5.731 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.372 -6.522 -5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.631 -7.073 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.360 -5.966 -8.197 1.00 0.00 H new ATOM 464 N HIS A 29 -13.926 -2.987 -4.554 1.00 0.00 N ATOM 465 CA HIS A 29 -14.564 -2.463 -3.318 1.00 0.00 C ATOM 466 C HIS A 29 -14.846 -0.955 -3.460 1.00 0.00 C ATOM 467 O HIS A 29 -14.250 -0.147 -2.777 1.00 0.00 O ATOM 468 CB HIS A 29 -13.563 -2.664 -2.175 1.00 0.00 C ATOM 469 CG HIS A 29 -13.521 -4.147 -1.788 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.068 -4.632 -0.776 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.917 -5.215 -2.428 1.00 0.00 C ATOM 472 CE1 HIS A 29 -13.885 -5.884 -0.702 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.156 -6.354 -1.716 1.00 0.00 N ATOM 0 H HIS A 29 -13.218 -2.378 -4.964 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.505 -2.981 -3.132 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.572 -2.329 -2.482 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.851 -2.060 -1.314 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.348 -5.156 -3.344 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.276 -6.502 0.093 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.857 -7.310 -1.908 1.00 0.00 H new ATOM 481 N PRO A 30 -15.767 -0.606 -4.354 1.00 0.00 N ATOM 482 CA PRO A 30 -16.115 0.797 -4.578 1.00 0.00 C ATOM 483 C PRO A 30 -16.845 1.398 -3.364 1.00 0.00 C ATOM 484 O PRO A 30 -18.046 1.589 -3.383 1.00 0.00 O ATOM 485 CB PRO A 30 -17.048 0.778 -5.838 1.00 0.00 C ATOM 486 CG PRO A 30 -17.386 -0.725 -6.131 1.00 0.00 C ATOM 487 CD PRO A 30 -16.504 -1.583 -5.187 1.00 0.00 C ATOM 0 HA PRO A 30 -15.230 1.415 -4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.958 1.350 -5.654 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.551 1.236 -6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.443 -0.923 -5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.184 -0.969 -7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.113 -2.245 -4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.819 -2.214 -5.753 1.00 0.00 H new ATOM 495 N GLY A 31 -16.107 1.678 -2.322 1.00 0.00 N ATOM 496 CA GLY A 31 -16.756 2.265 -1.112 1.00 0.00 C ATOM 497 C GLY A 31 -15.935 2.004 0.153 1.00 0.00 C ATOM 498 O GLY A 31 -16.485 1.904 1.231 1.00 0.00 O ATOM 0 H GLY A 31 -15.100 1.529 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.880 3.339 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.753 1.842 -0.992 1.00 0.00 H new ATOM 502 N LEU A 32 -14.637 1.895 0.013 1.00 0.00 N ATOM 503 CA LEU A 32 -13.815 1.643 1.229 1.00 0.00 C ATOM 504 C LEU A 32 -13.710 2.896 2.068 1.00 0.00 C ATOM 505 O LEU A 32 -13.767 4.001 1.567 1.00 0.00 O ATOM 506 CB LEU A 32 -12.352 1.271 0.834 1.00 0.00 C ATOM 507 CG LEU A 32 -12.212 -0.157 0.254 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.712 -0.516 0.258 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.953 -1.180 1.126 1.00 0.00 C ATOM 0 H LEU A 32 -14.125 1.968 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.299 0.835 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.989 1.990 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.713 1.362 1.712 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.636 -0.182 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.577 -1.519 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.165 0.199 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.332 -0.482 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.839 -2.175 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.536 -1.170 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.011 -0.923 1.169 1.00 0.00 H new ATOM 521 N SER A 33 -13.557 2.692 3.343 1.00 0.00 N ATOM 522 CA SER A 33 -13.434 3.827 4.266 1.00 0.00 C ATOM 523 C SER A 33 -11.960 4.095 4.479 1.00 0.00 C ATOM 524 O SER A 33 -11.162 3.178 4.433 1.00 0.00 O ATOM 525 CB SER A 33 -14.073 3.444 5.611 1.00 0.00 C ATOM 526 OG SER A 33 -15.468 3.576 5.384 1.00 0.00 O ATOM 0 H SER A 33 -13.512 1.772 3.782 1.00 0.00 H new ATOM 0 HA SER A 33 -13.930 4.710 3.862 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.811 2.426 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.736 4.101 6.413 1.00 0.00 H new ATOM 0 HG SER A 33 -15.956 3.346 6.202 1.00 0.00 H new ATOM 532 N ILE A 34 -11.597 5.322 4.702 1.00 0.00 N ATOM 533 CA ILE A 34 -10.157 5.610 4.915 1.00 0.00 C ATOM 534 C ILE A 34 -9.568 4.623 5.906 1.00 0.00 C ATOM 535 O ILE A 34 -8.397 4.302 5.856 1.00 0.00 O ATOM 536 CB ILE A 34 -10.017 7.027 5.475 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.793 8.007 4.597 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.523 7.424 5.459 1.00 0.00 C ATOM 539 CD1 ILE A 34 -10.569 9.438 5.103 1.00 0.00 C ATOM 0 H ILE A 34 -12.223 6.126 4.746 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.626 5.522 3.967 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.409 7.057 6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.465 7.921 3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.856 7.766 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.410 8.433 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.955 6.726 6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.149 7.393 4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.123 10.137 4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.918 9.519 6.132 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.506 9.677 5.061 1.00 0.00 H new ATOM 551 N GLY A 35 -10.396 4.156 6.787 1.00 0.00 N ATOM 552 CA GLY A 35 -9.912 3.188 7.790 1.00 0.00 C ATOM 553 C GLY A 35 -9.666 1.830 7.133 1.00 0.00 C ATOM 554 O GLY A 35 -8.755 1.134 7.492 1.00 0.00 O ATOM 0 H GLY A 35 -11.383 4.403 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.991 3.553 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.644 3.086 8.591 1.00 0.00 H new ATOM 558 N ASP A 36 -10.484 1.493 6.163 1.00 0.00 N ATOM 559 CA ASP A 36 -10.311 0.182 5.474 1.00 0.00 C ATOM 560 C ASP A 36 -9.213 0.230 4.439 1.00 0.00 C ATOM 561 O ASP A 36 -8.416 -0.679 4.328 1.00 0.00 O ATOM 562 CB ASP A 36 -11.636 -0.157 4.754 1.00 0.00 C ATOM 563 CG ASP A 36 -11.778 -1.676 4.612 1.00 0.00 C ATOM 564 OD1 ASP A 36 -11.018 -2.220 3.826 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.638 -2.207 5.296 1.00 0.00 O ATOM 0 H ASP A 36 -11.256 2.066 5.824 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.045 -0.567 6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.479 0.245 5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.656 0.312 3.771 1.00 0.00 H new ATOM 570 N VAL A 37 -9.192 1.281 3.697 1.00 0.00 N ATOM 571 CA VAL A 37 -8.160 1.403 2.666 1.00 0.00 C ATOM 572 C VAL A 37 -6.802 1.224 3.277 1.00 0.00 C ATOM 573 O VAL A 37 -6.132 0.236 3.065 1.00 0.00 O ATOM 574 CB VAL A 37 -8.230 2.827 2.063 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.106 2.984 1.045 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.574 3.030 1.367 1.00 0.00 C ATOM 0 H VAL A 37 -9.846 2.061 3.761 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.324 0.644 1.901 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.124 3.567 2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.144 3.984 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.145 2.839 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.224 2.242 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.617 4.034 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.685 2.296 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.380 2.905 2.090 1.00 0.00 H new ATOM 586 N ALA A 38 -6.444 2.172 4.051 1.00 0.00 N ATOM 587 CA ALA A 38 -5.141 2.129 4.709 1.00 0.00 C ATOM 588 C ALA A 38 -4.901 0.805 5.442 1.00 0.00 C ATOM 589 O ALA A 38 -3.782 0.342 5.504 1.00 0.00 O ATOM 590 CB ALA A 38 -5.094 3.292 5.680 1.00 0.00 C ATOM 0 H ALA A 38 -7.009 2.994 4.262 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.352 2.204 3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.133 3.297 6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.218 4.227 5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.897 3.189 6.410 1.00 0.00 H new ATOM 596 N LYS A 39 -5.937 0.211 5.999 1.00 0.00 N ATOM 597 CA LYS A 39 -5.708 -1.071 6.707 1.00 0.00 C ATOM 598 C LYS A 39 -5.355 -2.150 5.697 1.00 0.00 C ATOM 599 O LYS A 39 -4.341 -2.807 5.811 1.00 0.00 O ATOM 600 CB LYS A 39 -7.006 -1.475 7.486 1.00 0.00 C ATOM 601 CG LYS A 39 -6.817 -1.187 8.998 1.00 0.00 C ATOM 602 CD LYS A 39 -6.679 0.348 9.243 1.00 0.00 C ATOM 603 CE LYS A 39 -5.695 0.602 10.392 1.00 0.00 C ATOM 604 NZ LYS A 39 -4.295 0.434 9.917 1.00 0.00 N ATOM 0 H LYS A 39 -6.898 0.554 5.990 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.886 -0.958 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.860 -0.917 7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.221 -2.532 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.667 -1.577 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.929 -1.702 9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.329 0.841 8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.652 0.777 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.835 1.609 10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.894 -0.090 11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.636 0.723 10.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.128 -0.564 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.141 1.025 9.075 1.00 0.00 H new ATOM 618 N LYS A 40 -6.196 -2.304 4.724 1.00 0.00 N ATOM 619 CA LYS A 40 -5.931 -3.328 3.698 1.00 0.00 C ATOM 620 C LYS A 40 -4.552 -3.110 3.115 1.00 0.00 C ATOM 621 O LYS A 40 -3.771 -4.027 2.989 1.00 0.00 O ATOM 622 CB LYS A 40 -6.982 -3.191 2.576 1.00 0.00 C ATOM 623 CG LYS A 40 -8.369 -3.627 3.103 1.00 0.00 C ATOM 624 CD LYS A 40 -8.522 -5.157 2.971 1.00 0.00 C ATOM 625 CE LYS A 40 -9.893 -5.587 3.520 1.00 0.00 C ATOM 626 NZ LYS A 40 -9.853 -7.014 3.946 1.00 0.00 N ATOM 0 H LYS A 40 -7.053 -1.765 4.597 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.985 -4.321 4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.023 -2.159 2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.698 -3.805 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.482 -3.330 4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.156 -3.124 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.428 -5.453 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.725 -5.661 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.169 -4.956 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.658 -5.449 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.785 -7.292 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.610 -7.613 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.136 -7.134 4.690 1.00 0.00 H new ATOM 640 N LEU A 41 -4.270 -1.891 2.770 1.00 0.00 N ATOM 641 CA LEU A 41 -2.949 -1.603 2.200 1.00 0.00 C ATOM 642 C LEU A 41 -1.903 -1.803 3.246 1.00 0.00 C ATOM 643 O LEU A 41 -0.814 -2.268 2.972 1.00 0.00 O ATOM 644 CB LEU A 41 -2.914 -0.135 1.746 1.00 0.00 C ATOM 645 CG LEU A 41 -3.972 0.104 0.671 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.852 1.570 0.161 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.775 -0.896 -0.503 1.00 0.00 C ATOM 0 H LEU A 41 -4.897 -1.092 2.860 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.761 -2.267 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.093 0.522 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.926 0.110 1.357 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.966 -0.053 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.604 1.751 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.009 2.258 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.859 1.729 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.534 -0.717 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.785 -0.756 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.867 -1.916 -0.131 1.00 0.00 H new ATOM 659 N GLY A 42 -2.244 -1.444 4.434 1.00 0.00 N ATOM 660 CA GLY A 42 -1.289 -1.602 5.523 1.00 0.00 C ATOM 661 C GLY A 42 -1.044 -3.097 5.747 1.00 0.00 C ATOM 662 O GLY A 42 0.003 -3.501 6.210 1.00 0.00 O ATOM 0 H GLY A 42 -3.147 -1.047 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.353 -1.098 5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.674 -1.141 6.433 1.00 0.00 H new ATOM 666 N GLU A 43 -2.038 -3.888 5.404 1.00 0.00 N ATOM 667 CA GLU A 43 -1.917 -5.347 5.573 1.00 0.00 C ATOM 668 C GLU A 43 -1.085 -5.934 4.440 1.00 0.00 C ATOM 669 O GLU A 43 -0.040 -6.511 4.669 1.00 0.00 O ATOM 670 CB GLU A 43 -3.345 -5.948 5.529 1.00 0.00 C ATOM 671 CG GLU A 43 -3.951 -5.923 6.939 1.00 0.00 C ATOM 672 CD GLU A 43 -3.298 -7.016 7.789 1.00 0.00 C ATOM 673 OE1 GLU A 43 -3.159 -8.105 7.256 1.00 0.00 O ATOM 674 OE2 GLU A 43 -2.974 -6.699 8.923 1.00 0.00 O ATOM 0 H GLU A 43 -2.925 -3.570 5.014 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.429 -5.579 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.971 -5.378 4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.310 -6.971 5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.794 -4.947 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.028 -6.081 6.887 1.00 0.00 H new ATOM 681 N MET A 44 -1.566 -5.777 3.228 1.00 0.00 N ATOM 682 CA MET A 44 -0.808 -6.320 2.073 1.00 0.00 C ATOM 683 C MET A 44 0.631 -5.874 2.170 1.00 0.00 C ATOM 684 O MET A 44 1.537 -6.626 1.907 1.00 0.00 O ATOM 685 CB MET A 44 -1.437 -5.773 0.772 1.00 0.00 C ATOM 686 CG MET A 44 -2.651 -6.634 0.408 1.00 0.00 C ATOM 687 SD MET A 44 -3.679 -6.085 -0.974 1.00 0.00 S ATOM 688 CE MET A 44 -3.997 -4.420 -0.355 1.00 0.00 C ATOM 0 H MET A 44 -2.439 -5.302 2.998 1.00 0.00 H new ATOM 0 HA MET A 44 -0.846 -7.409 2.073 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.738 -4.734 0.907 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.706 -5.791 -0.037 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.295 -7.640 0.184 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.286 -6.710 1.290 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.777 -3.952 -0.955 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.321 -4.474 0.684 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.085 -3.827 -0.420 1.00 0.00 H new ATOM 698 N TRP A 45 0.804 -4.652 2.540 1.00 0.00 N ATOM 699 CA TRP A 45 2.164 -4.120 2.671 1.00 0.00 C ATOM 700 C TRP A 45 2.903 -4.936 3.696 1.00 0.00 C ATOM 701 O TRP A 45 3.911 -5.549 3.420 1.00 0.00 O ATOM 702 CB TRP A 45 2.033 -2.687 3.178 1.00 0.00 C ATOM 703 CG TRP A 45 3.383 -2.149 3.624 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.696 -1.922 4.883 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.323 -1.734 2.820 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.889 -1.329 4.812 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.363 -1.166 3.530 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.355 -1.743 1.448 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.418 -0.608 2.862 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.415 -1.184 0.784 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.440 -0.611 1.490 1.00 0.00 C ATOM 0 H TRP A 45 0.055 -3.995 2.759 1.00 0.00 H new ATOM 0 HA TRP A 45 2.700 -4.155 1.722 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.626 -2.053 2.390 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.330 -2.653 4.010 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.122 -2.160 5.766 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.405 -1.023 5.637 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.545 -2.191 0.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.234 -0.165 3.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.443 -1.195 -0.296 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.269 -0.160 0.964 1.00 0.00 H new ATOM 722 N ASN A 46 2.382 -4.918 4.876 1.00 0.00 N ATOM 723 CA ASN A 46 3.017 -5.686 5.968 1.00 0.00 C ATOM 724 C ASN A 46 3.352 -7.094 5.482 1.00 0.00 C ATOM 725 O ASN A 46 4.370 -7.659 5.833 1.00 0.00 O ATOM 726 CB ASN A 46 2.003 -5.801 7.130 1.00 0.00 C ATOM 727 CG ASN A 46 2.025 -4.523 7.971 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.485 -3.488 7.538 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.531 -4.557 9.178 1.00 0.00 N ATOM 0 H ASN A 46 1.540 -4.404 5.136 1.00 0.00 H new ATOM 0 HA ASN A 46 3.929 -5.183 6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.001 -5.969 6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.248 -6.661 7.754 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.533 -3.715 9.754 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.143 -5.426 9.546 1.00 0.00 H new ATOM 736 N ASN A 47 2.471 -7.629 4.674 1.00 0.00 N ATOM 737 CA ASN A 47 2.680 -8.990 4.135 1.00 0.00 C ATOM 738 C ASN A 47 3.451 -8.969 2.808 1.00 0.00 C ATOM 739 O ASN A 47 3.918 -9.992 2.347 1.00 0.00 O ATOM 740 CB ASN A 47 1.293 -9.599 3.892 1.00 0.00 C ATOM 741 CG ASN A 47 0.446 -9.444 5.160 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.958 -9.412 6.261 1.00 0.00 O ATOM 743 ND2 ASN A 47 -0.853 -9.343 5.049 1.00 0.00 N ATOM 0 H ASN A 47 1.613 -7.171 4.368 1.00 0.00 H new ATOM 0 HA ASN A 47 3.267 -9.571 4.847 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.807 -9.103 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.386 -10.653 3.629 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.430 -9.238 5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.290 -9.369 4.128 1.00 0.00 H new ATOM 750 N THR A 48 3.573 -7.806 2.218 1.00 0.00 N ATOM 751 CA THR A 48 4.310 -7.715 0.925 1.00 0.00 C ATOM 752 C THR A 48 5.732 -8.240 1.074 1.00 0.00 C ATOM 753 O THR A 48 6.474 -7.802 1.928 1.00 0.00 O ATOM 754 CB THR A 48 4.359 -6.239 0.486 1.00 0.00 C ATOM 755 OG1 THR A 48 3.022 -5.898 0.185 1.00 0.00 O ATOM 756 CG2 THR A 48 5.105 -6.079 -0.850 1.00 0.00 C ATOM 0 H THR A 48 3.198 -6.926 2.572 1.00 0.00 H new ATOM 0 HA THR A 48 3.794 -8.320 0.180 1.00 0.00 H new ATOM 0 HB THR A 48 4.840 -5.643 1.262 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.415 -6.493 0.672 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.123 -5.027 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.127 -6.443 -0.742 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.595 -6.654 -1.623 1.00 0.00 H new ATOM 764 N ALA A 49 6.080 -9.179 0.241 1.00 0.00 N ATOM 765 CA ALA A 49 7.441 -9.751 0.310 1.00 0.00 C ATOM 766 C ALA A 49 8.499 -8.660 0.243 1.00 0.00 C ATOM 767 O ALA A 49 8.356 -7.697 -0.483 1.00 0.00 O ATOM 768 CB ALA A 49 7.627 -10.687 -0.892 1.00 0.00 C ATOM 0 H ALA A 49 5.477 -9.571 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 49 7.554 -10.285 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.626 -11.122 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.883 -11.483 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.504 -10.122 -1.816 1.00 0.00 H new ATOM 774 N ALA A 50 9.547 -8.825 1.005 1.00 0.00 N ATOM 775 CA ALA A 50 10.616 -7.807 0.990 1.00 0.00 C ATOM 776 C ALA A 50 11.039 -7.516 -0.442 1.00 0.00 C ATOM 777 O ALA A 50 11.271 -6.382 -0.807 1.00 0.00 O ATOM 778 CB ALA A 50 11.823 -8.351 1.771 1.00 0.00 C ATOM 0 H ALA A 50 9.701 -9.616 1.630 1.00 0.00 H new ATOM 0 HA ALA A 50 10.250 -6.887 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.622 -7.610 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.526 -8.562 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.178 -9.268 1.300 1.00 0.00 H new ATOM 784 N ASP A 51 11.127 -8.554 -1.230 1.00 0.00 N ATOM 785 CA ASP A 51 11.529 -8.370 -2.638 1.00 0.00 C ATOM 786 C ASP A 51 10.592 -7.393 -3.339 1.00 0.00 C ATOM 787 O ASP A 51 10.988 -6.690 -4.245 1.00 0.00 O ATOM 788 CB ASP A 51 11.448 -9.733 -3.345 1.00 0.00 C ATOM 789 CG ASP A 51 12.487 -10.681 -2.739 1.00 0.00 C ATOM 790 OD1 ASP A 51 13.627 -10.575 -3.158 1.00 0.00 O ATOM 791 OD2 ASP A 51 12.079 -11.458 -1.890 1.00 0.00 O ATOM 0 H ASP A 51 10.936 -9.517 -0.952 1.00 0.00 H new ATOM 0 HA ASP A 51 12.543 -7.971 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.448 -10.153 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.628 -9.613 -4.413 1.00 0.00 H new ATOM 796 N ASP A 52 9.356 -7.371 -2.905 1.00 0.00 N ATOM 797 CA ASP A 52 8.369 -6.447 -3.530 1.00 0.00 C ATOM 798 C ASP A 52 8.469 -5.058 -2.895 1.00 0.00 C ATOM 799 O ASP A 52 8.007 -4.083 -3.455 1.00 0.00 O ATOM 800 CB ASP A 52 6.947 -7.019 -3.287 1.00 0.00 C ATOM 801 CG ASP A 52 6.580 -7.989 -4.416 1.00 0.00 C ATOM 802 OD1 ASP A 52 6.466 -7.503 -5.529 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.431 -9.159 -4.101 1.00 0.00 O ATOM 0 H ASP A 52 8.992 -7.951 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 52 8.572 -6.359 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.911 -7.533 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.221 -6.207 -3.242 1.00 0.00 H new ATOM 808 N LYS A 53 9.056 -5.000 -1.726 1.00 0.00 N ATOM 809 CA LYS A 53 9.199 -3.688 -1.036 1.00 0.00 C ATOM 810 C LYS A 53 10.431 -2.952 -1.547 1.00 0.00 C ATOM 811 O LYS A 53 10.603 -1.772 -1.314 1.00 0.00 O ATOM 812 CB LYS A 53 9.368 -3.950 0.472 1.00 0.00 C ATOM 813 CG LYS A 53 8.030 -4.441 1.065 1.00 0.00 C ATOM 814 CD LYS A 53 8.040 -4.237 2.583 1.00 0.00 C ATOM 815 CE LYS A 53 6.676 -4.638 3.154 1.00 0.00 C ATOM 816 NZ LYS A 53 6.678 -4.515 4.637 1.00 0.00 N ATOM 0 H LYS A 53 9.439 -5.801 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 53 8.316 -3.078 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.146 -4.695 0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.688 -3.038 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.199 -3.894 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.880 -5.495 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.828 -4.837 3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.255 -3.195 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.897 -4.004 2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.442 -5.664 2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.747 -4.790 5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.409 -5.138 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.880 -3.530 4.903 1.00 0.00 H new ATOM 830 N GLN A 54 11.264 -3.676 -2.237 1.00 0.00 N ATOM 831 CA GLN A 54 12.496 -3.080 -2.789 1.00 0.00 C ATOM 832 C GLN A 54 12.225 -1.783 -3.618 1.00 0.00 C ATOM 833 O GLN A 54 12.777 -0.758 -3.333 1.00 0.00 O ATOM 834 CB GLN A 54 13.182 -4.155 -3.683 1.00 0.00 C ATOM 835 CG GLN A 54 14.426 -4.725 -2.974 1.00 0.00 C ATOM 836 CD GLN A 54 13.999 -5.427 -1.683 1.00 0.00 C ATOM 837 OE1 GLN A 54 13.144 -4.954 -0.960 1.00 0.00 O ATOM 838 NE2 GLN A 54 14.569 -6.553 -1.357 1.00 0.00 N ATOM 0 H GLN A 54 11.137 -4.667 -2.441 1.00 0.00 H new ATOM 0 HA GLN A 54 13.139 -2.781 -1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.479 -4.959 -3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.469 -3.715 -4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.942 -5.427 -3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.129 -3.923 -2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.287 -6.954 -1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.297 -7.033 -0.499 1.00 0.00 H new ATOM 847 N PRO A 55 11.383 -1.851 -4.640 1.00 0.00 N ATOM 848 CA PRO A 55 11.098 -0.665 -5.446 1.00 0.00 C ATOM 849 C PRO A 55 10.777 0.558 -4.594 1.00 0.00 C ATOM 850 O PRO A 55 11.229 1.652 -4.871 1.00 0.00 O ATOM 851 CB PRO A 55 9.855 -1.058 -6.297 1.00 0.00 C ATOM 852 CG PRO A 55 9.656 -2.599 -6.138 1.00 0.00 C ATOM 853 CD PRO A 55 10.652 -3.072 -5.048 1.00 0.00 C ATOM 0 HA PRO A 55 11.965 -0.387 -6.046 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.970 -0.519 -5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.007 -0.796 -7.344 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.630 -2.828 -5.849 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.844 -3.112 -7.081 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.129 -3.519 -4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.334 -3.828 -5.438 1.00 0.00 H new ATOM 861 N TYR A 56 10.012 0.348 -3.584 1.00 0.00 N ATOM 862 CA TYR A 56 9.646 1.485 -2.705 1.00 0.00 C ATOM 863 C TYR A 56 10.807 1.955 -1.855 1.00 0.00 C ATOM 864 O TYR A 56 11.240 3.083 -1.969 1.00 0.00 O ATOM 865 CB TYR A 56 8.527 1.036 -1.784 1.00 0.00 C ATOM 866 CG TYR A 56 7.291 0.742 -2.616 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.570 1.771 -3.152 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.857 -0.546 -2.790 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.409 1.523 -3.851 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.701 -0.811 -3.486 1.00 0.00 C ATOM 871 CZ TYR A 56 4.964 0.225 -4.027 1.00 0.00 C ATOM 872 OH TYR A 56 3.808 -0.029 -4.727 1.00 0.00 O ATOM 0 H TYR A 56 9.620 -0.556 -3.321 1.00 0.00 H new ATOM 0 HA TYR A 56 9.341 2.316 -3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.829 0.147 -1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.311 1.811 -1.049 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.913 2.787 -3.027 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.430 -1.363 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.844 2.346 -4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.368 -1.831 -3.610 1.00 0.00 H new ATOM 0 HH TYR A 56 3.647 -0.995 -4.753 1.00 0.00 H new ATOM 882 N GLU A 57 11.307 1.092 -1.016 1.00 0.00 N ATOM 883 CA GLU A 57 12.441 1.512 -0.165 1.00 0.00 C ATOM 884 C GLU A 57 13.557 2.033 -1.040 1.00 0.00 C ATOM 885 O GLU A 57 14.233 2.973 -0.705 1.00 0.00 O ATOM 886 CB GLU A 57 12.914 0.294 0.661 1.00 0.00 C ATOM 887 CG GLU A 57 13.794 -0.613 -0.185 1.00 0.00 C ATOM 888 CD GLU A 57 13.941 -1.974 0.499 1.00 0.00 C ATOM 889 OE1 GLU A 57 12.929 -2.445 0.993 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.057 -2.467 0.489 1.00 0.00 O ATOM 0 H GLU A 57 10.984 0.133 -0.887 1.00 0.00 H new ATOM 0 HA GLU A 57 12.137 2.308 0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.467 0.634 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.051 -0.263 1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.357 -0.739 -1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.774 -0.158 -0.324 1.00 0.00 H new ATOM 897 N LYS A 58 13.720 1.384 -2.138 1.00 0.00 N ATOM 898 CA LYS A 58 14.774 1.790 -3.096 1.00 0.00 C ATOM 899 C LYS A 58 14.518 3.220 -3.549 1.00 0.00 C ATOM 900 O LYS A 58 15.435 3.974 -3.809 1.00 0.00 O ATOM 901 CB LYS A 58 14.721 0.839 -4.319 1.00 0.00 C ATOM 902 CG LYS A 58 15.786 1.250 -5.354 1.00 0.00 C ATOM 903 CD LYS A 58 17.194 1.214 -4.702 1.00 0.00 C ATOM 904 CE LYS A 58 18.263 0.896 -5.776 1.00 0.00 C ATOM 905 NZ LYS A 58 17.812 1.355 -7.122 1.00 0.00 N ATOM 0 H LYS A 58 13.164 0.578 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 58 15.755 1.734 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.892 -0.189 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.730 0.871 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.754 0.576 -6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.574 2.251 -5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.412 2.173 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.221 0.460 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.203 1.383 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.456 -0.177 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.637 1.467 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.163 0.651 -7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.321 2.267 -7.031 1.00 0.00 H new ATOM 919 N LYS A 59 13.263 3.560 -3.653 1.00 0.00 N ATOM 920 CA LYS A 59 12.911 4.920 -4.079 1.00 0.00 C ATOM 921 C LYS A 59 13.210 5.865 -2.951 1.00 0.00 C ATOM 922 O LYS A 59 13.895 6.860 -3.112 1.00 0.00 O ATOM 923 CB LYS A 59 11.401 4.955 -4.393 1.00 0.00 C ATOM 924 CG LYS A 59 11.075 6.218 -5.192 1.00 0.00 C ATOM 925 CD LYS A 59 9.556 6.409 -5.222 1.00 0.00 C ATOM 926 CE LYS A 59 9.221 7.711 -5.958 1.00 0.00 C ATOM 927 NZ LYS A 59 9.538 7.586 -7.408 1.00 0.00 N ATOM 0 H LYS A 59 12.473 2.945 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 59 13.480 5.209 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.116 4.069 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.826 4.939 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.555 7.085 -4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.464 6.133 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.082 5.564 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.162 6.441 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.165 7.947 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.787 8.536 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.123 8.388 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.570 7.586 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.143 6.697 -7.774 1.00 0.00 H new ATOM 941 N ALA A 60 12.684 5.549 -1.825 1.00 0.00 N ATOM 942 CA ALA A 60 12.927 6.404 -0.680 1.00 0.00 C ATOM 943 C ALA A 60 14.414 6.398 -0.375 1.00 0.00 C ATOM 944 O ALA A 60 14.940 7.348 0.135 1.00 0.00 O ATOM 945 CB ALA A 60 12.157 5.843 0.530 1.00 0.00 C ATOM 0 H ALA A 60 12.096 4.733 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 60 12.596 7.421 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.332 6.478 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.091 5.822 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.503 4.832 0.744 1.00 0.00 H new ATOM 951 N ALA A 61 15.074 5.319 -0.745 1.00 0.00 N ATOM 952 CA ALA A 61 16.524 5.229 -0.484 1.00 0.00 C ATOM 953 C ALA A 61 17.273 6.296 -1.245 1.00 0.00 C ATOM 954 O ALA A 61 18.274 6.808 -0.784 1.00 0.00 O ATOM 955 CB ALA A 61 17.040 3.850 -0.937 1.00 0.00 C ATOM 0 H ALA A 61 14.662 4.511 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 61 16.690 5.369 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.111 3.781 -0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.521 3.068 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.854 3.724 -2.004 1.00 0.00 H new ATOM 961 N LYS A 62 16.782 6.620 -2.400 1.00 0.00 N ATOM 962 CA LYS A 62 17.450 7.642 -3.194 1.00 0.00 C ATOM 963 C LYS A 62 17.444 8.955 -2.437 1.00 0.00 C ATOM 964 O LYS A 62 18.475 9.570 -2.246 1.00 0.00 O ATOM 965 CB LYS A 62 16.674 7.787 -4.544 1.00 0.00 C ATOM 966 CG LYS A 62 17.477 7.120 -5.669 1.00 0.00 C ATOM 967 CD LYS A 62 16.690 7.211 -7.009 1.00 0.00 C ATOM 968 CE LYS A 62 15.844 5.946 -7.200 1.00 0.00 C ATOM 969 NZ LYS A 62 16.710 4.804 -7.607 1.00 0.00 N ATOM 0 H LYS A 62 15.945 6.214 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 62 18.486 7.364 -3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.690 7.325 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.514 8.841 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 62 18.447 7.607 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.669 6.076 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.048 8.092 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.384 7.325 -7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.323 5.705 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.081 6.121 -7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.117 4.033 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.372 5.116 -8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.246 4.464 -6.783 1.00 0.00 H new ATOM 983 N LEU A 63 16.284 9.366 -2.016 1.00 0.00 N ATOM 984 CA LEU A 63 16.206 10.637 -1.269 1.00 0.00 C ATOM 985 C LEU A 63 16.696 10.452 0.180 1.00 0.00 C ATOM 986 O LEU A 63 17.022 11.410 0.852 1.00 0.00 O ATOM 987 CB LEU A 63 14.729 11.149 -1.316 1.00 0.00 C ATOM 988 CG LEU A 63 13.860 10.494 -0.187 1.00 0.00 C ATOM 989 CD1 LEU A 63 13.787 11.429 1.027 1.00 0.00 C ATOM 990 CD2 LEU A 63 12.428 10.255 -0.702 1.00 0.00 C ATOM 0 H LEU A 63 15.398 8.880 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 63 16.858 11.380 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.715 12.233 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 63 14.294 10.922 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 63 14.319 9.547 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.182 10.967 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.792 11.610 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.335 12.376 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.829 9.800 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.982 11.206 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.458 9.590 -1.565 1.00 0.00 H new ATOM 1002 N LYS A 64 16.746 9.211 0.633 1.00 0.00 N ATOM 1003 CA LYS A 64 17.216 8.962 2.032 1.00 0.00 C ATOM 1004 C LYS A 64 18.683 9.337 2.159 1.00 0.00 C ATOM 1005 O LYS A 64 19.101 9.917 3.138 1.00 0.00 O ATOM 1006 CB LYS A 64 17.079 7.457 2.351 1.00 0.00 C ATOM 1007 CG LYS A 64 17.223 7.229 3.858 1.00 0.00 C ATOM 1008 CD LYS A 64 16.785 5.796 4.185 1.00 0.00 C ATOM 1009 CE LYS A 64 17.216 5.445 5.608 1.00 0.00 C ATOM 1010 NZ LYS A 64 18.692 5.269 5.674 1.00 0.00 N ATOM 0 H LYS A 64 16.486 8.380 0.102 1.00 0.00 H new ATOM 0 HA LYS A 64 16.617 9.560 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.111 7.091 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.841 6.892 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 64 18.256 7.388 4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.613 7.945 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.703 5.704 4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.230 5.098 3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.906 6.234 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.719 4.530 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.959 4.932 6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.991 4.573 4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.159 6.179 5.486 1.00 0.00 H new ATOM 1024 N GLU A 65 19.443 8.986 1.160 1.00 0.00 N ATOM 1025 CA GLU A 65 20.861 9.307 1.194 1.00 0.00 C ATOM 1026 C GLU A 65 21.043 10.801 1.352 1.00 0.00 C ATOM 1027 O GLU A 65 21.746 11.253 2.231 1.00 0.00 O ATOM 1028 CB GLU A 65 21.473 8.855 -0.135 1.00 0.00 C ATOM 1029 CG GLU A 65 21.583 7.323 -0.145 1.00 0.00 C ATOM 1030 CD GLU A 65 21.772 6.833 -1.584 1.00 0.00 C ATOM 1031 OE1 GLU A 65 22.793 7.190 -2.147 1.00 0.00 O ATOM 1032 OE2 GLU A 65 20.885 6.127 -2.035 1.00 0.00 O ATOM 0 H GLU A 65 19.125 8.490 0.327 1.00 0.00 H new ATOM 0 HA GLU A 65 21.346 8.805 2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 65 20.855 9.193 -0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 65 22.458 9.303 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 65 22.423 7.004 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 65 20.685 6.881 0.286 1.00 0.00 H new ATOM 1039 N LYS A 66 20.395 11.547 0.498 1.00 0.00 N ATOM 1040 CA LYS A 66 20.518 13.021 0.585 1.00 0.00 C ATOM 1041 C LYS A 66 20.103 13.492 1.962 1.00 0.00 C ATOM 1042 O LYS A 66 20.646 14.431 2.504 1.00 0.00 O ATOM 1043 CB LYS A 66 19.569 13.650 -0.453 1.00 0.00 C ATOM 1044 CG LYS A 66 19.645 15.215 -0.374 1.00 0.00 C ATOM 1045 CD LYS A 66 18.443 15.771 0.420 1.00 0.00 C ATOM 1046 CE LYS A 66 18.462 17.299 0.350 1.00 0.00 C ATOM 1047 NZ LYS A 66 18.023 17.764 -0.994 1.00 0.00 N ATOM 0 H LYS A 66 19.792 11.199 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 66 21.551 13.313 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.839 13.315 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.547 13.318 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.577 15.517 0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.652 15.637 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 66 17.510 15.387 0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.493 15.441 1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.806 17.712 1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.467 17.666 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.813 18.782 -0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.780 17.591 -1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.168 17.244 -1.279 1.00 0.00 H new ATOM 1061 N TYR A 67 19.128 12.830 2.482 1.00 0.00 N ATOM 1062 CA TYR A 67 18.612 13.177 3.832 1.00 0.00 C ATOM 1063 C TYR A 67 19.589 12.765 4.918 1.00 0.00 C ATOM 1064 O TYR A 67 20.314 13.576 5.433 1.00 0.00 O ATOM 1065 CB TYR A 67 17.293 12.405 4.027 1.00 0.00 C ATOM 1066 CG TYR A 67 16.671 12.720 5.386 1.00 0.00 C ATOM 1067 CD1 TYR A 67 16.032 13.913 5.589 1.00 0.00 C ATOM 1068 CD2 TYR A 67 16.657 11.773 6.395 1.00 0.00 C ATOM 1069 CE1 TYR A 67 15.372 14.159 6.774 1.00 0.00 C ATOM 1070 CE2 TYR A 67 16.000 12.019 7.580 1.00 0.00 C ATOM 1071 CZ TYR A 67 15.352 13.213 7.780 1.00 0.00 C ATOM 1072 OH TYR A 67 14.696 13.466 8.969 1.00 0.00 O ATOM 0 H TYR A 67 18.653 12.049 2.029 1.00 0.00 H new ATOM 0 HA TYR A 67 18.468 14.255 3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.593 12.667 3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.479 11.334 3.948 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.045 14.667 4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 67 17.166 10.832 6.252 1.00 0.00 H new ATOM 0 HE1 TYR A 67 14.865 15.102 6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 67 15.994 11.268 8.357 1.00 0.00 H new ATOM 0 HH TYR A 67 15.263 14.022 9.543 1.00 0.00 H new ATOM 1082 N GLU A 68 19.605 11.504 5.226 1.00 0.00 N ATOM 1083 CA GLU A 68 20.517 11.009 6.275 1.00 0.00 C ATOM 1084 C GLU A 68 21.943 11.514 6.114 1.00 0.00 C ATOM 1085 O GLU A 68 22.776 11.318 6.979 1.00 0.00 O ATOM 1086 CB GLU A 68 20.515 9.485 6.203 1.00 0.00 C ATOM 1087 CG GLU A 68 19.167 8.929 6.741 1.00 0.00 C ATOM 1088 CD GLU A 68 19.375 7.502 7.263 1.00 0.00 C ATOM 1089 OE1 GLU A 68 20.352 6.908 6.835 1.00 0.00 O ATOM 1090 OE2 GLU A 68 18.548 7.090 8.057 1.00 0.00 O ATOM 0 H GLU A 68 19.019 10.792 4.790 1.00 0.00 H new ATOM 0 HA GLU A 68 20.163 11.378 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.666 9.161 5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 68 21.343 9.084 6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.790 9.568 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.418 8.933 5.949 1.00 0.00 H new ATOM 1097 N LYS A 69 22.200 12.138 5.037 1.00 0.00 N ATOM 1098 CA LYS A 69 23.574 12.658 4.811 1.00 0.00 C ATOM 1099 C LYS A 69 24.006 13.580 5.962 1.00 0.00 C ATOM 1100 O LYS A 69 25.177 13.681 6.269 1.00 0.00 O ATOM 1101 CB LYS A 69 23.579 13.462 3.480 1.00 0.00 C ATOM 1102 CG LYS A 69 24.897 14.263 3.312 1.00 0.00 C ATOM 1103 CD LYS A 69 26.107 13.317 3.356 1.00 0.00 C ATOM 1104 CE LYS A 69 27.364 14.104 2.977 1.00 0.00 C ATOM 1105 NZ LYS A 69 28.566 13.223 3.015 1.00 0.00 N ATOM 0 H LYS A 69 21.531 12.321 4.289 1.00 0.00 H new ATOM 0 HA LYS A 69 24.272 11.822 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 69 23.456 12.779 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 69 22.730 14.146 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 69 24.884 14.803 2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 69 24.981 15.008 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 69 26.216 12.890 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 69 25.961 12.485 2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 69 27.248 14.527 1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 69 27.497 14.940 3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 29.409 13.774 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 28.685 12.840 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 28.444 12.440 2.342 1.00 0.00 H new ATOM 1119 N ASP A 70 23.046 14.236 6.578 1.00 0.00 N ATOM 1120 CA ASP A 70 23.372 15.158 7.705 1.00 0.00 C ATOM 1121 C ASP A 70 22.460 14.921 8.914 1.00 0.00 C ATOM 1122 O ASP A 70 22.802 15.264 10.030 1.00 0.00 O ATOM 1123 CB ASP A 70 23.126 16.581 7.166 1.00 0.00 C ATOM 1124 CG ASP A 70 24.381 17.084 6.435 1.00 0.00 C ATOM 1125 OD1 ASP A 70 25.235 16.249 6.183 1.00 0.00 O ATOM 1126 OD2 ASP A 70 24.411 18.274 6.168 1.00 0.00 O ATOM 0 H ASP A 70 22.055 14.169 6.346 1.00 0.00 H new ATOM 0 HA ASP A 70 24.398 14.999 8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.274 16.580 6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 70 22.878 17.253 7.987 1.00 0.00 H new ATOM 1131 N ILE A 71 21.334 14.336 8.673 1.00 0.00 N ATOM 1132 CA ILE A 71 20.412 14.077 9.760 1.00 0.00 C ATOM 1133 C ILE A 71 21.061 13.119 10.741 1.00 0.00 C ATOM 1134 O ILE A 71 20.712 13.073 11.900 1.00 0.00 O ATOM 1135 CB ILE A 71 19.161 13.420 9.180 1.00 0.00 C ATOM 1136 CG1 ILE A 71 18.569 14.162 7.911 1.00 0.00 C ATOM 1137 CG2 ILE A 71 18.079 13.396 10.254 1.00 0.00 C ATOM 1138 CD1 ILE A 71 19.315 15.462 7.497 1.00 0.00 C ATOM 0 H ILE A 71 21.021 14.027 7.753 1.00 0.00 H new ATOM 0 HA ILE A 71 20.154 15.006 10.269 1.00 0.00 H new ATOM 0 HB ILE A 71 19.460 12.422 8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.580 13.471 7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.525 14.408 8.108 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.179 12.929 9.854 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.432 12.826 11.113 1.00 0.00 H new ATOM 0 HG23 ILE A 71 17.851 14.416 10.564 1.00 0.00 H new ATOM 0 HD11 ILE A 71 18.834 15.894 6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.282 16.178 8.318 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.353 15.227 7.262 1.00 0.00 H new ATOM 1150 N ALA A 72 21.993 12.341 10.233 1.00 0.00 N ATOM 1151 CA ALA A 72 22.704 11.360 11.106 1.00 0.00 C ATOM 1152 C ALA A 72 22.988 11.984 12.460 1.00 0.00 C ATOM 1153 O ALA A 72 22.634 11.442 13.490 1.00 0.00 O ATOM 1154 CB ALA A 72 24.039 10.993 10.438 1.00 0.00 C ATOM 0 H ALA A 72 22.287 12.346 9.256 1.00 0.00 H new ATOM 0 HA ALA A 72 22.085 10.473 11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.573 10.276 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 72 23.847 10.551 9.460 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.645 11.891 10.317 1.00 0.00 H new ATOM 1160 N ALA A 73 23.621 13.124 12.432 1.00 0.00 N ATOM 1161 CA ALA A 73 23.931 13.800 13.692 1.00 0.00 C ATOM 1162 C ALA A 73 22.622 14.115 14.399 1.00 0.00 C ATOM 1163 O ALA A 73 22.509 14.012 15.604 1.00 0.00 O ATOM 1164 CB ALA A 73 24.664 15.110 13.359 1.00 0.00 C ATOM 0 H ALA A 73 23.930 13.604 11.587 1.00 0.00 H new ATOM 0 HA ALA A 73 24.554 13.176 14.333 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.908 15.635 14.282 1.00 0.00 H new ATOM 0 HB2 ALA A 73 25.582 14.885 12.816 1.00 0.00 H new ATOM 0 HB3 ALA A 73 24.023 15.739 12.742 1.00 0.00 H new ATOM 1170 N TYR A 74 21.651 14.494 13.607 1.00 0.00 N ATOM 1171 CA TYR A 74 20.326 14.827 14.153 1.00 0.00 C ATOM 1172 C TYR A 74 19.623 13.554 14.573 1.00 0.00 C ATOM 1173 O TYR A 74 20.225 12.655 15.126 1.00 0.00 O ATOM 1174 CB TYR A 74 19.505 15.496 13.017 1.00 0.00 C ATOM 1175 CG TYR A 74 18.250 16.218 13.526 1.00 0.00 C ATOM 1176 CD1 TYR A 74 17.806 16.151 14.856 1.00 0.00 C ATOM 1177 CD2 TYR A 74 17.558 16.989 12.637 1.00 0.00 C ATOM 1178 CE1 TYR A 74 16.699 16.872 15.252 1.00 0.00 C ATOM 1179 CE2 TYR A 74 16.445 17.712 13.044 1.00 0.00 C ATOM 1180 CZ TYR A 74 16.011 17.656 14.351 1.00 0.00 C ATOM 1181 OH TYR A 74 14.903 18.375 14.752 1.00 0.00 O ATOM 0 H TYR A 74 21.733 14.584 12.594 1.00 0.00 H new ATOM 0 HA TYR A 74 20.422 15.490 15.013 1.00 0.00 H new ATOM 0 HB2 TYR A 74 20.139 16.209 12.490 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.211 14.736 12.293 1.00 0.00 H new ATOM 0 HD1 TYR A 74 18.332 15.534 15.570 1.00 0.00 H new ATOM 0 HD2 TYR A 74 17.880 17.037 11.607 1.00 0.00 H new ATOM 0 HE1 TYR A 74 16.368 16.822 16.279 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.914 18.324 12.330 1.00 0.00 H new ATOM 0 HH TYR A 74 14.542 18.873 13.989 1.00 0.00 H new ATOM 1191 N ARG A 75 18.359 13.502 14.302 1.00 0.00 N ATOM 1192 CA ARG A 75 17.583 12.313 14.662 1.00 0.00 C ATOM 1193 C ARG A 75 18.319 11.074 14.163 1.00 0.00 C ATOM 1194 O ARG A 75 18.997 11.126 13.155 1.00 0.00 O ATOM 1195 CB ARG A 75 16.189 12.432 13.968 1.00 0.00 C ATOM 1196 CG ARG A 75 15.080 12.016 14.943 1.00 0.00 C ATOM 1197 CD ARG A 75 13.696 12.363 14.338 1.00 0.00 C ATOM 1198 NE ARG A 75 13.805 12.447 12.847 1.00 0.00 N ATOM 1199 CZ ARG A 75 13.781 11.355 12.131 1.00 0.00 C ATOM 1200 NH1 ARG A 75 13.663 10.203 12.734 1.00 0.00 N ATOM 1201 NH2 ARG A 75 13.874 11.452 10.834 1.00 0.00 N ATOM 0 H ARG A 75 17.831 14.243 13.842 1.00 0.00 H new ATOM 0 HA ARG A 75 17.456 12.233 15.742 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.026 13.457 13.635 1.00 0.00 H new ATOM 0 HB3 ARG A 75 16.160 11.800 13.081 1.00 0.00 H new ATOM 0 HG2 ARG A 75 15.142 10.947 15.145 1.00 0.00 H new ATOM 0 HG3 ARG A 75 15.210 12.528 15.896 1.00 0.00 H new ATOM 0 HD2 ARG A 75 12.965 11.604 14.617 1.00 0.00 H new ATOM 0 HD3 ARG A 75 13.340 13.311 14.740 1.00 0.00 H new ATOM 0 HE ARG A 75 13.898 13.355 12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.591 10.165 13.751 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.643 9.341 12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.964 12.369 10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.857 10.611 10.257 1.00 0.00 H new ATOM 1215 N ALA A 76 18.182 9.992 14.859 1.00 0.00 N ATOM 1216 CA ALA A 76 18.877 8.779 14.416 1.00 0.00 C ATOM 1217 C ALA A 76 18.311 7.538 15.101 1.00 0.00 C ATOM 1218 O ALA A 76 19.023 6.801 15.755 1.00 0.00 O ATOM 1219 CB ALA A 76 20.362 8.957 14.778 1.00 0.00 C ATOM 0 H ALA A 76 17.623 9.900 15.707 1.00 0.00 H new ATOM 0 HA ALA A 76 18.746 8.638 13.343 1.00 0.00 H new ATOM 0 HB1 ALA A 76 20.921 8.075 14.466 1.00 0.00 H new ATOM 0 HB2 ALA A 76 20.758 9.836 14.269 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.461 9.086 15.856 1.00 0.00 H new ATOM 1225 N LYS A 77 17.034 7.335 14.932 1.00 0.00 N ATOM 1226 CA LYS A 77 16.390 6.159 15.555 1.00 0.00 C ATOM 1227 C LYS A 77 16.761 4.883 14.810 1.00 0.00 C ATOM 1228 O LYS A 77 17.789 4.921 14.153 1.00 0.00 O ATOM 1229 CB LYS A 77 14.861 6.350 15.494 1.00 0.00 C ATOM 1230 CG LYS A 77 14.437 6.652 14.050 1.00 0.00 C ATOM 1231 CD LYS A 77 12.912 6.801 13.996 1.00 0.00 C ATOM 1232 CE LYS A 77 12.471 6.957 12.539 1.00 0.00 C ATOM 1233 NZ LYS A 77 12.550 5.652 11.831 1.00 0.00 N ATOM 1234 OXT LYS A 77 15.998 3.941 14.936 1.00 0.00 O ATOM 0 H LYS A 77 16.414 7.936 14.389 1.00 0.00 H new ATOM 0 HA LYS A 77 16.729 6.070 16.587 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.358 5.452 15.851 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.560 7.166 16.150 1.00 0.00 H new ATOM 0 HG2 LYS A 77 14.917 7.566 13.701 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.760 5.849 13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.434 5.929 14.441 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.599 7.668 14.578 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.450 7.338 12.500 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.104 7.689 12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.048 5.719 10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.547 5.410 11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.111 4.913 12.416 1.00 0.00 H new TER 1248 LYS A 77