USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 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 83 HIS : no HD1:sc= 0.977 K(o=2.3,f=-5.9!) USER MOD Set 1.2: A 85 TYR OH : rot -21:sc= 1.34 USER MOD Set 2.1: A 24 HIS : no HD1:sc= 1.04 K(o=1,f=-4.7!) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0196) USER MOD Single : A 1 GLY N :NH3+ -150:sc= 3.06 (180deg=1.68) USER MOD Single : A 3 SER OG : rot -171:sc= 1.04 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0775 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.602 K(o=0.6,f=-0.018) USER MOD Single : A 19 LYS NZ :NH3+ -131:sc= -0.0302 (180deg=-0.801) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 117:sc= 1.25 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0548 USER MOD Single : A 40 LYS NZ :NH3+ -120:sc= -0.11 (180deg=-0.206) USER MOD Single : A 41 MET CE :methyl -176:sc= 0 (180deg=-0.0511) USER MOD Single : A 48 THR OG1 : rot 71:sc= 1.15 USER MOD Single : A 50 SER OG : rot -33:sc= 1.54 USER MOD Single : A 51 ASN : amide:sc= -0.154! X(o=-0.15!,f=-0.05) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= -0.117 (180deg=-0.235) USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 0.46 (180deg=0.427) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 126:sc= 1.2 USER MOD Single : A 86 LYS NZ :NH3+ -159:sc= 1.17 (180deg=0.609) USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= 0.736 (180deg=0.618) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.3!) USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0446) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.291 K(o=-0.29,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.353 -10.856 2.493 1.00 0.00 N ATOM 2 CA GLY A 1 -0.178 -11.486 3.113 1.00 0.00 C ATOM 3 C GLY A 1 0.240 -10.706 4.350 1.00 0.00 C ATOM 4 O GLY A 1 -0.544 -9.879 4.807 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.926 -11.582 2.018 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.924 -10.390 3.226 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.041 -10.150 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.408 -12.516 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.645 -11.520 2.399 1.00 0.00 H new ATOM 10 N GLY A 2 1.446 -10.937 4.879 1.00 0.00 N ATOM 11 CA GLY A 2 1.927 -10.198 6.046 1.00 0.00 C ATOM 12 C GLY A 2 1.993 -8.698 5.744 1.00 0.00 C ATOM 13 O GLY A 2 1.814 -7.851 6.618 1.00 0.00 O ATOM 0 H GLY A 2 2.103 -11.628 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.265 -10.375 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.914 -10.561 6.331 1.00 0.00 H new ATOM 17 N SER A 3 2.252 -8.380 4.477 1.00 0.00 N ATOM 18 CA SER A 3 2.361 -7.052 3.916 1.00 0.00 C ATOM 19 C SER A 3 1.037 -6.282 3.927 1.00 0.00 C ATOM 20 O SER A 3 0.410 -6.091 2.885 1.00 0.00 O ATOM 21 CB SER A 3 2.869 -7.252 2.494 1.00 0.00 C ATOM 22 OG SER A 3 3.914 -8.207 2.544 1.00 0.00 O ATOM 0 H SER A 3 2.400 -9.102 3.772 1.00 0.00 H new ATOM 0 HA SER A 3 3.037 -6.442 4.516 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.065 -7.598 1.845 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.230 -6.310 2.080 1.00 0.00 H new ATOM 0 HG SER A 3 4.352 -8.258 1.669 1.00 0.00 H new ATOM 28 N VAL A 4 0.614 -5.864 5.116 1.00 0.00 N ATOM 29 CA VAL A 4 -0.535 -5.026 5.388 1.00 0.00 C ATOM 30 C VAL A 4 -0.149 -4.087 6.541 1.00 0.00 C ATOM 31 O VAL A 4 -0.983 -3.715 7.364 1.00 0.00 O ATOM 32 CB VAL A 4 -1.725 -5.929 5.749 1.00 0.00 C ATOM 33 CG1 VAL A 4 -2.329 -6.623 4.522 1.00 0.00 C ATOM 34 CG2 VAL A 4 -1.366 -6.973 6.807 1.00 0.00 C ATOM 0 H VAL A 4 1.105 -6.124 5.972 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.827 -4.426 4.526 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.477 -5.260 6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.166 -7.248 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.681 -5.871 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.570 -7.243 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.241 -7.585 7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.563 -7.609 6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.037 -6.471 7.717 1.00 0.00 H new ATOM 44 N ILE A 5 1.138 -3.729 6.604 1.00 0.00 N ATOM 45 CA ILE A 5 1.747 -2.970 7.687 1.00 0.00 C ATOM 46 C ILE A 5 2.263 -1.612 7.205 1.00 0.00 C ATOM 47 O ILE A 5 2.712 -1.451 6.070 1.00 0.00 O ATOM 48 CB ILE A 5 2.870 -3.810 8.332 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.865 -4.331 7.277 1.00 0.00 C ATOM 50 CG2 ILE A 5 2.240 -4.983 9.097 1.00 0.00 C ATOM 51 CD1 ILE A 5 5.063 -5.059 7.893 1.00 0.00 C ATOM 0 H ILE A 5 1.804 -3.972 5.871 1.00 0.00 H new ATOM 0 HA ILE A 5 0.987 -2.761 8.440 1.00 0.00 H new ATOM 0 HB ILE A 5 3.430 -3.176 9.019 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.345 -5.007 6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.224 -3.493 6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.026 -5.582 9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.578 -4.598 9.872 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.668 -5.603 8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.727 -5.402 7.100 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.604 -4.378 8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.712 -5.916 8.468 1.00 0.00 H new ATOM 63 N VAL A 6 2.204 -0.625 8.098 1.00 0.00 N ATOM 64 CA VAL A 6 2.595 0.749 7.829 1.00 0.00 C ATOM 65 C VAL A 6 4.109 0.924 7.982 1.00 0.00 C ATOM 66 O VAL A 6 4.592 1.544 8.924 1.00 0.00 O ATOM 67 CB VAL A 6 1.730 1.703 8.687 1.00 0.00 C ATOM 68 CG1 VAL A 6 1.791 1.466 10.205 1.00 0.00 C ATOM 69 CG2 VAL A 6 2.016 3.178 8.373 1.00 0.00 C ATOM 0 H VAL A 6 1.874 -0.768 9.052 1.00 0.00 H new ATOM 0 HA VAL A 6 2.397 1.014 6.791 1.00 0.00 H new ATOM 0 HB VAL A 6 0.711 1.456 8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.150 2.187 10.712 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.449 0.456 10.430 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.817 1.587 10.551 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.387 3.812 8.998 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.065 3.396 8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.800 3.375 7.323 1.00 0.00 H new ATOM 79 N ILE A 7 4.869 0.372 7.033 1.00 0.00 N ATOM 80 CA ILE A 7 6.312 0.558 6.975 1.00 0.00 C ATOM 81 C ILE A 7 6.751 0.504 5.507 1.00 0.00 C ATOM 82 O ILE A 7 6.496 -0.468 4.795 1.00 0.00 O ATOM 83 CB ILE A 7 7.050 -0.429 7.897 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.566 -0.193 7.752 1.00 0.00 C ATOM 85 CG2 ILE A 7 6.663 -1.886 7.613 1.00 0.00 C ATOM 86 CD1 ILE A 7 9.388 -0.950 8.799 1.00 0.00 C ATOM 0 H ILE A 7 4.497 -0.215 6.286 1.00 0.00 H new ATOM 0 HA ILE A 7 6.587 1.539 7.364 1.00 0.00 H new ATOM 0 HB ILE A 7 6.754 -0.246 8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.883 -0.501 6.756 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.773 0.874 7.837 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.209 -2.546 8.288 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.592 -2.015 7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.913 -2.134 6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.448 -0.745 8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.095 -0.624 9.797 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.207 -2.020 8.699 1.00 0.00 H new ATOM 98 N ASP A 8 7.404 1.586 5.081 1.00 0.00 N ATOM 99 CA ASP A 8 7.857 1.867 3.728 1.00 0.00 C ATOM 100 C ASP A 8 9.331 1.552 3.501 1.00 0.00 C ATOM 101 O ASP A 8 9.733 1.349 2.358 1.00 0.00 O ATOM 102 CB ASP A 8 7.635 3.362 3.465 1.00 0.00 C ATOM 103 CG ASP A 8 8.479 4.262 4.368 1.00 0.00 C ATOM 104 OD1 ASP A 8 8.531 3.973 5.584 1.00 0.00 O ATOM 105 OD2 ASP A 8 9.056 5.224 3.822 1.00 0.00 O ATOM 0 H ASP A 8 7.645 2.341 5.723 1.00 0.00 H new ATOM 0 HA ASP A 8 7.290 1.229 3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.870 3.580 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.581 3.598 3.610 1.00 0.00 H new ATOM 110 N SER A 9 10.132 1.572 4.570 1.00 0.00 N ATOM 111 CA SER A 9 11.569 1.357 4.556 1.00 0.00 C ATOM 112 C SER A 9 11.968 0.272 3.550 1.00 0.00 C ATOM 113 O SER A 9 11.403 -0.814 3.590 1.00 0.00 O ATOM 114 CB SER A 9 11.983 0.974 5.978 1.00 0.00 C ATOM 115 OG SER A 9 11.303 1.808 6.899 1.00 0.00 O ATOM 0 H SER A 9 9.773 1.747 5.509 1.00 0.00 H new ATOM 0 HA SER A 9 12.082 2.265 4.239 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.744 -0.072 6.170 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.061 1.082 6.098 1.00 0.00 H new ATOM 0 HG SER A 9 11.563 1.566 7.813 1.00 0.00 H new ATOM 121 N LYS A 10 12.948 0.526 2.675 1.00 0.00 N ATOM 122 CA LYS A 10 13.324 -0.418 1.621 1.00 0.00 C ATOM 123 C LYS A 10 13.549 -1.840 2.157 1.00 0.00 C ATOM 124 O LYS A 10 13.129 -2.809 1.532 1.00 0.00 O ATOM 125 CB LYS A 10 14.548 0.108 0.867 1.00 0.00 C ATOM 126 CG LYS A 10 14.913 -0.811 -0.309 1.00 0.00 C ATOM 127 CD LYS A 10 16.045 -0.205 -1.144 1.00 0.00 C ATOM 128 CE LYS A 10 16.403 -1.154 -2.294 1.00 0.00 C ATOM 129 NZ LYS A 10 17.497 -0.610 -3.119 1.00 0.00 N ATOM 0 H LYS A 10 13.498 1.385 2.678 1.00 0.00 H new ATOM 0 HA LYS A 10 12.490 -0.494 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.346 1.113 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.394 0.183 1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.216 -1.788 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.037 -0.970 -0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.739 0.763 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.920 -0.031 -0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.697 -2.123 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.524 -1.321 -2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.716 -1.275 -3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.206 0.303 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.342 -0.474 -2.529 1.00 0.00 H new ATOM 143 N ALA A 11 14.182 -1.983 3.323 1.00 0.00 N ATOM 144 CA ALA A 11 14.368 -3.302 3.927 1.00 0.00 C ATOM 145 C ALA A 11 13.006 -3.986 4.128 1.00 0.00 C ATOM 146 O ALA A 11 12.831 -5.173 3.855 1.00 0.00 O ATOM 147 CB ALA A 11 15.102 -3.152 5.261 1.00 0.00 C ATOM 0 H ALA A 11 14.571 -1.210 3.863 1.00 0.00 H new ATOM 0 HA ALA A 11 14.968 -3.926 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.241 -4.134 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.074 -2.690 5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.514 -2.525 5.931 1.00 0.00 H new ATOM 153 N ALA A 12 12.025 -3.212 4.598 1.00 0.00 N ATOM 154 CA ALA A 12 10.670 -3.680 4.810 1.00 0.00 C ATOM 155 C ALA A 12 9.968 -3.886 3.470 1.00 0.00 C ATOM 156 O ALA A 12 9.110 -4.756 3.388 1.00 0.00 O ATOM 157 CB ALA A 12 9.899 -2.689 5.674 1.00 0.00 C ATOM 0 H ALA A 12 12.160 -2.231 4.843 1.00 0.00 H new ATOM 0 HA ALA A 12 10.705 -4.636 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.883 -3.052 5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.395 -2.585 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.867 -1.720 5.176 1.00 0.00 H new ATOM 163 N TRP A 13 10.259 -3.078 2.442 1.00 0.00 N ATOM 164 CA TRP A 13 9.718 -3.299 1.102 1.00 0.00 C ATOM 165 C TRP A 13 10.153 -4.702 0.670 1.00 0.00 C ATOM 166 O TRP A 13 9.323 -5.525 0.292 1.00 0.00 O ATOM 167 CB TRP A 13 10.223 -2.227 0.115 1.00 0.00 C ATOM 168 CG TRP A 13 10.051 -2.509 -1.353 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.877 -3.296 -2.079 1.00 0.00 C ATOM 170 CD2 TRP A 13 9.081 -1.980 -2.313 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.472 -3.340 -3.393 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.377 -2.532 -3.596 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.998 -1.077 -2.247 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.637 -2.221 -4.743 1.00 0.00 C ATOM 175 CZ3 TRP A 13 7.271 -0.732 -3.403 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.575 -1.312 -4.646 1.00 0.00 C ATOM 0 H TRP A 13 10.869 -2.264 2.517 1.00 0.00 H new ATOM 0 HA TRP A 13 8.631 -3.221 1.108 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.712 -1.291 0.342 1.00 0.00 H new ATOM 0 HB3 TRP A 13 11.284 -2.065 0.306 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.735 -3.818 -1.682 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.923 -3.897 -4.119 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.723 -0.644 -1.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.882 -2.676 -5.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.469 -0.012 -3.333 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.994 -1.059 -5.521 1.00 0.00 H new ATOM 187 N ASP A 14 11.459 -4.978 0.763 1.00 0.00 N ATOM 188 CA ASP A 14 12.036 -6.264 0.391 1.00 0.00 C ATOM 189 C ASP A 14 11.354 -7.386 1.171 1.00 0.00 C ATOM 190 O ASP A 14 10.911 -8.373 0.589 1.00 0.00 O ATOM 191 CB ASP A 14 13.555 -6.271 0.638 1.00 0.00 C ATOM 192 CG ASP A 14 14.315 -5.239 -0.192 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.951 -5.069 -1.377 1.00 0.00 O ATOM 194 OD2 ASP A 14 15.264 -4.646 0.367 1.00 0.00 O ATOM 0 H ASP A 14 12.147 -4.305 1.102 1.00 0.00 H new ATOM 0 HA ASP A 14 11.870 -6.428 -0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.743 -6.084 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.946 -7.264 0.415 1.00 0.00 H new ATOM 199 N ALA A 15 11.258 -7.231 2.492 1.00 0.00 N ATOM 200 CA ALA A 15 10.614 -8.225 3.343 1.00 0.00 C ATOM 201 C ALA A 15 9.168 -8.468 2.900 1.00 0.00 C ATOM 202 O ALA A 15 8.757 -9.604 2.663 1.00 0.00 O ATOM 203 CB ALA A 15 10.671 -7.768 4.803 1.00 0.00 C ATOM 0 H ALA A 15 11.621 -6.421 2.995 1.00 0.00 H new ATOM 0 HA ALA A 15 11.149 -9.170 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.189 -8.513 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.711 -7.651 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.153 -6.814 4.906 1.00 0.00 H new ATOM 209 N GLN A 16 8.391 -7.390 2.787 1.00 0.00 N ATOM 210 CA GLN A 16 6.990 -7.419 2.387 1.00 0.00 C ATOM 211 C GLN A 16 6.821 -8.097 1.030 1.00 0.00 C ATOM 212 O GLN A 16 5.883 -8.871 0.837 1.00 0.00 O ATOM 213 CB GLN A 16 6.427 -5.996 2.386 1.00 0.00 C ATOM 214 CG GLN A 16 6.167 -5.559 3.830 1.00 0.00 C ATOM 215 CD GLN A 16 5.724 -4.104 3.925 1.00 0.00 C ATOM 216 OE1 GLN A 16 4.534 -3.815 3.987 1.00 0.00 O ATOM 217 NE2 GLN A 16 6.689 -3.191 3.959 1.00 0.00 N ATOM 0 H GLN A 16 8.732 -6.448 2.977 1.00 0.00 H new ATOM 0 HA GLN A 16 6.425 -8.011 3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.130 -5.314 1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.503 -5.958 1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.401 -6.199 4.268 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.074 -5.699 4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.666 -3.479 3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.453 -2.202 4.040 1.00 0.00 H new ATOM 226 N LEU A 17 7.746 -7.843 0.105 1.00 0.00 N ATOM 227 CA LEU A 17 7.741 -8.454 -1.218 1.00 0.00 C ATOM 228 C LEU A 17 7.890 -9.988 -1.132 1.00 0.00 C ATOM 229 O LEU A 17 7.715 -10.666 -2.140 1.00 0.00 O ATOM 230 CB LEU A 17 8.840 -7.794 -2.069 1.00 0.00 C ATOM 231 CG LEU A 17 8.817 -8.124 -3.573 1.00 0.00 C ATOM 232 CD1 LEU A 17 7.490 -7.742 -4.244 1.00 0.00 C ATOM 233 CD2 LEU A 17 9.957 -7.360 -4.257 1.00 0.00 C ATOM 0 H LEU A 17 8.525 -7.202 0.257 1.00 0.00 H new ATOM 0 HA LEU A 17 6.780 -8.282 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.762 -6.713 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.809 -8.089 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 17 8.936 -9.202 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.531 -7.997 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.673 -8.287 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.323 -6.670 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.955 -7.583 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.817 -6.289 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.910 -7.665 -3.824 1.00 0.00 H new ATOM 245 N ALA A 18 8.214 -10.543 0.048 1.00 0.00 N ATOM 246 CA ALA A 18 8.287 -11.978 0.297 1.00 0.00 C ATOM 247 C ALA A 18 7.113 -12.415 1.186 1.00 0.00 C ATOM 248 O ALA A 18 6.302 -13.244 0.771 1.00 0.00 O ATOM 249 CB ALA A 18 9.635 -12.325 0.936 1.00 0.00 C ATOM 0 H ALA A 18 8.437 -9.984 0.872 1.00 0.00 H new ATOM 0 HA ALA A 18 8.212 -12.519 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.685 -13.398 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.442 -12.034 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.739 -11.790 1.880 1.00 0.00 H new ATOM 255 N LYS A 19 6.983 -11.851 2.399 1.00 0.00 N ATOM 256 CA LYS A 19 5.913 -12.245 3.330 1.00 0.00 C ATOM 257 C LYS A 19 4.517 -11.891 2.793 1.00 0.00 C ATOM 258 O LYS A 19 3.499 -12.281 3.371 1.00 0.00 O ATOM 259 CB LYS A 19 6.153 -11.669 4.735 1.00 0.00 C ATOM 260 CG LYS A 19 6.100 -10.140 4.804 1.00 0.00 C ATOM 261 CD LYS A 19 6.091 -9.570 6.231 1.00 0.00 C ATOM 262 CE LYS A 19 7.339 -9.925 7.051 1.00 0.00 C ATOM 263 NZ LYS A 19 7.216 -11.234 7.720 1.00 0.00 N ATOM 0 H LYS A 19 7.603 -11.124 2.756 1.00 0.00 H new ATOM 0 HA LYS A 19 5.944 -13.331 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.407 -12.078 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.127 -12.004 5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.958 -9.734 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.207 -9.795 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.000 -8.485 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.208 -9.939 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.210 -9.935 6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.511 -9.152 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.479 -11.138 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.234 -11.568 7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.848 -11.920 7.260 1.00 0.00 H new ATOM 277 N GLY A 20 4.453 -11.127 1.703 1.00 0.00 N ATOM 278 CA GLY A 20 3.216 -10.856 1.009 1.00 0.00 C ATOM 279 C GLY A 20 2.627 -12.141 0.411 1.00 0.00 C ATOM 280 O GLY A 20 1.412 -12.232 0.251 1.00 0.00 O ATOM 0 H GLY A 20 5.268 -10.681 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.499 -10.409 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.392 -10.129 0.216 1.00 0.00 H new ATOM 284 N LYS A 21 3.470 -13.136 0.102 1.00 0.00 N ATOM 285 CA LYS A 21 3.080 -14.387 -0.539 1.00 0.00 C ATOM 286 C LYS A 21 2.341 -14.082 -1.849 1.00 0.00 C ATOM 287 O LYS A 21 1.255 -14.592 -2.123 1.00 0.00 O ATOM 288 CB LYS A 21 2.266 -15.273 0.418 1.00 0.00 C ATOM 289 CG LYS A 21 3.048 -15.540 1.713 1.00 0.00 C ATOM 290 CD LYS A 21 2.412 -16.645 2.569 1.00 0.00 C ATOM 291 CE LYS A 21 2.667 -18.042 1.987 1.00 0.00 C ATOM 292 NZ LYS A 21 2.141 -19.098 2.869 1.00 0.00 N ATOM 0 H LYS A 21 4.469 -13.085 0.299 1.00 0.00 H new ATOM 0 HA LYS A 21 3.971 -14.962 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.319 -14.787 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.027 -16.218 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.071 -15.822 1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.104 -14.621 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.813 -16.595 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.338 -16.474 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.199 -18.120 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.738 -18.187 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.330 -20.029 2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.606 -19.038 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.115 -18.973 2.987 1.00 0.00 H new ATOM 306 N GLU A 22 2.974 -13.254 -2.680 1.00 0.00 N ATOM 307 CA GLU A 22 2.481 -12.809 -3.972 1.00 0.00 C ATOM 308 C GLU A 22 2.661 -13.915 -5.017 1.00 0.00 C ATOM 309 O GLU A 22 3.361 -13.743 -6.008 1.00 0.00 O ATOM 310 CB GLU A 22 3.157 -11.482 -4.374 1.00 0.00 C ATOM 311 CG GLU A 22 4.639 -11.356 -3.983 1.00 0.00 C ATOM 312 CD GLU A 22 4.801 -10.783 -2.576 1.00 0.00 C ATOM 313 OE1 GLU A 22 4.661 -9.548 -2.437 1.00 0.00 O ATOM 314 OE2 GLU A 22 5.018 -11.602 -1.658 1.00 0.00 O ATOM 0 H GLU A 22 3.887 -12.860 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 22 1.412 -12.608 -3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.072 -11.362 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.606 -10.660 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.114 -12.335 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.152 -10.714 -4.699 1.00 0.00 H new ATOM 321 N GLU A 23 1.986 -15.045 -4.793 1.00 0.00 N ATOM 322 CA GLU A 23 1.969 -16.183 -5.711 1.00 0.00 C ATOM 323 C GLU A 23 1.517 -15.705 -7.097 1.00 0.00 C ATOM 324 O GLU A 23 2.136 -16.001 -8.113 1.00 0.00 O ATOM 325 CB GLU A 23 1.001 -17.254 -5.186 1.00 0.00 C ATOM 326 CG GLU A 23 1.419 -17.820 -3.822 1.00 0.00 C ATOM 327 CD GLU A 23 0.383 -18.809 -3.296 1.00 0.00 C ATOM 328 OE1 GLU A 23 -0.785 -18.384 -3.155 1.00 0.00 O ATOM 329 OE2 GLU A 23 0.776 -19.969 -3.044 1.00 0.00 O ATOM 0 H GLU A 23 1.427 -15.196 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 23 2.968 -16.613 -5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.002 -16.825 -5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.941 -18.068 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.386 -18.315 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.543 -17.005 -3.109 1.00 0.00 H new ATOM 336 N HIS A 24 0.402 -14.973 -7.095 1.00 0.00 N ATOM 337 CA HIS A 24 -0.237 -14.357 -8.251 1.00 0.00 C ATOM 338 C HIS A 24 -1.224 -13.290 -7.762 1.00 0.00 C ATOM 339 O HIS A 24 -2.173 -12.925 -8.455 1.00 0.00 O ATOM 340 CB HIS A 24 -0.957 -15.442 -9.065 1.00 0.00 C ATOM 341 CG HIS A 24 -1.991 -16.189 -8.257 1.00 0.00 C ATOM 342 ND1 HIS A 24 -1.699 -17.408 -7.643 1.00 0.00 N ATOM 343 CD2 HIS A 24 -3.267 -15.824 -7.924 1.00 0.00 C ATOM 344 CE1 HIS A 24 -2.822 -17.746 -7.000 1.00 0.00 C ATOM 345 NE2 HIS A 24 -3.786 -16.822 -7.129 1.00 0.00 N ATOM 0 H HIS A 24 -0.107 -14.785 -6.232 1.00 0.00 H new ATOM 0 HA HIS A 24 0.505 -13.880 -8.892 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.439 -14.983 -9.928 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.222 -16.149 -9.449 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.774 -14.920 -8.228 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.940 -18.661 -6.439 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.720 -16.852 -6.719 1.00 0.00 H new ATOM 353 N LYS A 25 -0.995 -12.794 -6.545 1.00 0.00 N ATOM 354 CA LYS A 25 -1.877 -11.870 -5.854 1.00 0.00 C ATOM 355 C LYS A 25 -1.544 -10.424 -6.225 1.00 0.00 C ATOM 356 O LYS A 25 -0.446 -10.148 -6.722 1.00 0.00 O ATOM 357 CB LYS A 25 -1.709 -12.090 -4.343 1.00 0.00 C ATOM 358 CG LYS A 25 -2.025 -13.516 -3.873 1.00 0.00 C ATOM 359 CD LYS A 25 -3.472 -13.911 -4.196 1.00 0.00 C ATOM 360 CE LYS A 25 -3.888 -15.187 -3.461 1.00 0.00 C ATOM 361 NZ LYS A 25 -3.041 -16.336 -3.823 1.00 0.00 N ATOM 0 H LYS A 25 -0.165 -13.035 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.911 -12.054 -6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.684 -11.847 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.357 -11.393 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.341 -14.217 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.858 -13.591 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.142 -13.097 -3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.577 -14.059 -5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.831 -15.020 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.928 -15.416 -3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.600 -17.211 -3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.687 -16.214 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.237 -16.395 -3.166 1.00 0.00 H new ATOM 375 N PRO A 26 -2.488 -9.495 -5.999 1.00 0.00 N ATOM 376 CA PRO A 26 -2.275 -8.090 -6.271 1.00 0.00 C ATOM 377 C PRO A 26 -1.394 -7.423 -5.215 1.00 0.00 C ATOM 378 O PRO A 26 -1.732 -7.401 -4.030 1.00 0.00 O ATOM 379 CB PRO A 26 -3.669 -7.463 -6.321 1.00 0.00 C ATOM 380 CG PRO A 26 -4.518 -8.371 -5.433 1.00 0.00 C ATOM 381 CD PRO A 26 -3.883 -9.745 -5.648 1.00 0.00 C ATOM 0 HA PRO A 26 -1.740 -7.952 -7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.659 -6.438 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.054 -7.429 -7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.478 -8.066 -4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.567 -8.360 -5.728 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.955 -10.353 -4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.393 -10.290 -6.442 1.00 0.00 H new ATOM 389 N ILE A 27 -0.263 -6.870 -5.663 1.00 0.00 N ATOM 390 CA ILE A 27 0.579 -6.021 -4.845 1.00 0.00 C ATOM 391 C ILE A 27 0.036 -4.619 -5.065 1.00 0.00 C ATOM 392 O ILE A 27 0.391 -3.943 -6.033 1.00 0.00 O ATOM 393 CB ILE A 27 2.066 -6.138 -5.216 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.541 -7.599 -5.122 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.897 -5.235 -4.295 1.00 0.00 C ATOM 396 CD1 ILE A 27 4.007 -7.745 -5.528 1.00 0.00 C ATOM 0 H ILE A 27 0.088 -7.006 -6.611 1.00 0.00 H new ATOM 0 HA ILE A 27 0.547 -6.309 -3.794 1.00 0.00 H new ATOM 0 HB ILE A 27 2.200 -5.813 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.408 -7.960 -4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.922 -8.225 -5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.951 -5.318 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.574 -4.200 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.756 -5.544 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.304 -8.791 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.135 -7.409 -6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.629 -7.140 -4.869 1.00 0.00 H new ATOM 408 N VAL A 28 -0.877 -4.210 -4.190 1.00 0.00 N ATOM 409 CA VAL A 28 -1.488 -2.905 -4.239 1.00 0.00 C ATOM 410 C VAL A 28 -0.522 -2.014 -3.481 1.00 0.00 C ATOM 411 O VAL A 28 -0.340 -2.193 -2.276 1.00 0.00 O ATOM 412 CB VAL A 28 -2.884 -2.925 -3.598 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.575 -1.581 -3.853 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.757 -4.039 -4.182 1.00 0.00 C ATOM 0 H VAL A 28 -1.211 -4.790 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.651 -2.551 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.760 -3.105 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.566 -1.590 -3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.983 -0.778 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.668 -1.418 -4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.737 -4.022 -3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.874 -3.885 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.283 -5.004 -4.003 1.00 0.00 H new ATOM 424 N VAL A 29 0.147 -1.103 -4.178 1.00 0.00 N ATOM 425 CA VAL A 29 1.097 -0.214 -3.539 1.00 0.00 C ATOM 426 C VAL A 29 0.531 1.200 -3.520 1.00 0.00 C ATOM 427 O VAL A 29 0.074 1.706 -4.545 1.00 0.00 O ATOM 428 CB VAL A 29 2.478 -0.328 -4.193 1.00 0.00 C ATOM 429 CG1 VAL A 29 2.463 -0.087 -5.696 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.440 0.645 -3.512 1.00 0.00 C ATOM 0 H VAL A 29 0.046 -0.964 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 29 1.250 -0.506 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 29 2.811 -1.357 -4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.475 -0.184 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.815 -0.820 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.089 0.916 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.424 0.567 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.067 1.663 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.516 0.400 -2.453 1.00 0.00 H new ATOM 440 N ASP A 30 0.550 1.796 -2.326 1.00 0.00 N ATOM 441 CA ASP A 30 0.102 3.135 -1.999 1.00 0.00 C ATOM 442 C ASP A 30 1.319 4.046 -1.926 1.00 0.00 C ATOM 443 O ASP A 30 2.052 4.009 -0.936 1.00 0.00 O ATOM 444 CB ASP A 30 -0.609 3.091 -0.639 1.00 0.00 C ATOM 445 CG ASP A 30 -0.889 4.460 -0.028 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.899 5.449 -0.792 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.099 4.494 1.205 1.00 0.00 O ATOM 0 H ASP A 30 0.909 1.310 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.587 3.513 -2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.553 2.558 -0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.000 2.514 0.057 1.00 0.00 H new ATOM 452 N PHE A 31 1.529 4.845 -2.970 1.00 0.00 N ATOM 453 CA PHE A 31 2.575 5.846 -3.007 1.00 0.00 C ATOM 454 C PHE A 31 1.924 7.176 -2.630 1.00 0.00 C ATOM 455 O PHE A 31 1.321 7.832 -3.479 1.00 0.00 O ATOM 456 CB PHE A 31 3.210 5.898 -4.397 1.00 0.00 C ATOM 457 CG PHE A 31 3.897 4.621 -4.835 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.171 4.303 -4.328 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.324 3.819 -5.839 1.00 0.00 C ATOM 460 CE1 PHE A 31 5.869 3.188 -4.823 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.049 2.739 -6.371 1.00 0.00 C ATOM 462 CZ PHE A 31 5.309 2.407 -5.847 1.00 0.00 C ATOM 0 H PHE A 31 0.967 4.809 -3.821 1.00 0.00 H new ATOM 0 HA PHE A 31 3.379 5.612 -2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.437 6.145 -5.124 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.937 6.710 -4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.613 4.917 -3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.329 4.033 -6.200 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.836 2.932 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.636 2.162 -7.185 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.846 1.552 -6.231 1.00 0.00 H new ATOM 472 N THR A 32 2.038 7.543 -1.353 1.00 0.00 N ATOM 473 CA THR A 32 1.540 8.784 -0.763 1.00 0.00 C ATOM 474 C THR A 32 2.660 9.287 0.154 1.00 0.00 C ATOM 475 O THR A 32 3.729 8.687 0.152 1.00 0.00 O ATOM 476 CB THR A 32 0.188 8.503 -0.074 1.00 0.00 C ATOM 477 OG1 THR A 32 -0.732 8.097 -1.064 1.00 0.00 O ATOM 478 CG2 THR A 32 -0.442 9.718 0.617 1.00 0.00 C ATOM 0 H THR A 32 2.505 6.950 -0.667 1.00 0.00 H new ATOM 0 HA THR A 32 1.321 9.573 -1.483 1.00 0.00 H new ATOM 0 HB THR A 32 0.392 7.752 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.016 7.176 -0.889 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.388 9.427 1.073 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.234 10.089 1.388 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.620 10.503 -0.118 1.00 0.00 H new ATOM 486 N ALA A 33 2.499 10.389 0.892 1.00 0.00 N ATOM 487 CA ALA A 33 3.539 10.876 1.788 1.00 0.00 C ATOM 488 C ALA A 33 2.988 11.980 2.680 1.00 0.00 C ATOM 489 O ALA A 33 1.805 12.312 2.612 1.00 0.00 O ATOM 490 CB ALA A 33 4.721 11.423 0.973 1.00 0.00 C ATOM 0 H ALA A 33 1.653 10.959 0.883 1.00 0.00 H new ATOM 0 HA ALA A 33 3.879 10.047 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.494 11.785 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.130 10.630 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.379 12.243 0.342 1.00 0.00 H new ATOM 496 N THR A 34 3.866 12.534 3.513 1.00 0.00 N ATOM 497 CA THR A 34 3.633 13.702 4.343 1.00 0.00 C ATOM 498 C THR A 34 3.206 14.870 3.451 1.00 0.00 C ATOM 499 O THR A 34 2.226 15.573 3.705 1.00 0.00 O ATOM 500 CB THR A 34 4.980 14.039 5.005 1.00 0.00 C ATOM 501 OG1 THR A 34 6.000 13.978 4.020 1.00 0.00 O ATOM 502 CG2 THR A 34 5.350 13.036 6.095 1.00 0.00 C ATOM 0 H THR A 34 4.806 12.157 3.629 1.00 0.00 H new ATOM 0 HA THR A 34 2.856 13.520 5.086 1.00 0.00 H new ATOM 0 HB THR A 34 4.888 15.031 5.448 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.864 14.193 4.430 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.308 13.313 6.535 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.582 13.039 6.868 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.425 12.039 5.662 1.00 0.00 H new ATOM 510 N TRP A 35 4.021 15.057 2.413 1.00 0.00 N ATOM 511 CA TRP A 35 3.976 16.105 1.418 1.00 0.00 C ATOM 512 C TRP A 35 2.667 16.147 0.628 1.00 0.00 C ATOM 513 O TRP A 35 2.613 15.804 -0.550 1.00 0.00 O ATOM 514 CB TRP A 35 5.222 15.967 0.532 1.00 0.00 C ATOM 515 CG TRP A 35 6.215 17.034 0.826 1.00 0.00 C ATOM 516 CD1 TRP A 35 7.423 16.896 1.414 1.00 0.00 C ATOM 517 CD2 TRP A 35 5.995 18.457 0.658 1.00 0.00 C ATOM 518 NE1 TRP A 35 7.990 18.149 1.576 1.00 0.00 N ATOM 519 CE2 TRP A 35 7.135 19.152 1.146 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.910 19.221 0.181 1.00 0.00 C ATOM 521 CZ2 TRP A 35 7.203 20.554 1.137 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.950 20.623 0.205 1.00 0.00 C ATOM 523 CH2 TRP A 35 6.102 21.292 0.665 1.00 0.00 C ATOM 0 H TRP A 35 4.796 14.416 2.240 1.00 0.00 H new ATOM 0 HA TRP A 35 3.992 17.074 1.917 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.677 14.990 0.691 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.932 16.016 -0.518 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.874 15.960 1.710 1.00 0.00 H new ATOM 0 HE1 TRP A 35 8.919 18.313 1.963 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.036 18.720 -0.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 8.090 21.060 1.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.095 21.192 -0.130 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.140 22.371 0.655 1.00 0.00 H new ATOM 534 N CYS A 36 1.635 16.645 1.306 1.00 0.00 N ATOM 535 CA CYS A 36 0.283 16.892 0.822 1.00 0.00 C ATOM 536 C CYS A 36 -0.645 17.253 1.985 1.00 0.00 C ATOM 537 O CYS A 36 -1.690 17.855 1.758 1.00 0.00 O ATOM 538 CB CYS A 36 -0.325 15.685 0.104 1.00 0.00 C ATOM 539 SG CYS A 36 -0.738 14.313 1.204 1.00 0.00 S ATOM 0 H CYS A 36 1.733 16.906 2.287 1.00 0.00 H new ATOM 0 HA CYS A 36 0.369 17.715 0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.227 16.002 -0.420 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.376 15.333 -0.653 1.00 0.00 H new ATOM 544 N GLY A 37 -0.293 16.884 3.222 1.00 0.00 N ATOM 545 CA GLY A 37 -1.103 17.187 4.389 1.00 0.00 C ATOM 546 C GLY A 37 -2.391 16.358 4.365 1.00 0.00 C ATOM 547 O GLY A 37 -2.295 15.137 4.463 1.00 0.00 O ATOM 0 H GLY A 37 0.561 16.368 3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.540 16.973 5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.345 18.250 4.407 1.00 0.00 H new ATOM 551 N PRO A 38 -3.583 16.972 4.232 1.00 0.00 N ATOM 552 CA PRO A 38 -4.871 16.285 4.227 1.00 0.00 C ATOM 553 C PRO A 38 -4.922 14.969 3.449 1.00 0.00 C ATOM 554 O PRO A 38 -5.520 14.005 3.923 1.00 0.00 O ATOM 555 CB PRO A 38 -5.863 17.306 3.671 1.00 0.00 C ATOM 556 CG PRO A 38 -5.320 18.613 4.238 1.00 0.00 C ATOM 557 CD PRO A 38 -3.805 18.412 4.165 1.00 0.00 C ATOM 0 HA PRO A 38 -5.104 15.960 5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.878 17.309 2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.882 17.109 4.004 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.642 19.473 3.651 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.657 18.781 5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.401 18.826 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.304 18.922 4.988 1.00 0.00 H new ATOM 565 N CYS A 39 -4.299 14.902 2.270 1.00 0.00 N ATOM 566 CA CYS A 39 -4.332 13.684 1.456 1.00 0.00 C ATOM 567 C CYS A 39 -3.798 12.472 2.232 1.00 0.00 C ATOM 568 O CYS A 39 -4.224 11.345 1.985 1.00 0.00 O ATOM 569 CB CYS A 39 -3.578 13.874 0.130 1.00 0.00 C ATOM 570 SG CYS A 39 -1.938 13.113 0.015 1.00 0.00 S ATOM 0 H CYS A 39 -3.769 15.671 1.860 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.376 13.484 1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.196 13.475 -0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.471 14.943 -0.051 1.00 0.00 H new ATOM 575 N LYS A 40 -2.910 12.686 3.210 1.00 0.00 N ATOM 576 CA LYS A 40 -2.359 11.612 4.019 1.00 0.00 C ATOM 577 C LYS A 40 -3.472 10.831 4.735 1.00 0.00 C ATOM 578 O LYS A 40 -3.282 9.657 5.048 1.00 0.00 O ATOM 579 CB LYS A 40 -1.337 12.188 5.010 1.00 0.00 C ATOM 580 CG LYS A 40 -0.351 11.112 5.485 1.00 0.00 C ATOM 581 CD LYS A 40 0.604 11.699 6.531 1.00 0.00 C ATOM 582 CE LYS A 40 1.708 10.710 6.924 1.00 0.00 C ATOM 583 NZ LYS A 40 2.623 10.419 5.803 1.00 0.00 N ATOM 0 H LYS A 40 -2.558 13.611 3.456 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.846 10.902 3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.789 13.003 4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.859 12.611 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.897 10.270 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.217 10.728 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.057 12.609 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.039 11.982 7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.278 11.118 7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.255 9.781 7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.599 9.401 5.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.324 10.955 4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.591 10.696 6.064 1.00 0.00 H new ATOM 597 N MET A 41 -4.647 11.438 4.956 1.00 0.00 N ATOM 598 CA MET A 41 -5.790 10.765 5.571 1.00 0.00 C ATOM 599 C MET A 41 -6.261 9.564 4.744 1.00 0.00 C ATOM 600 O MET A 41 -7.021 8.736 5.238 1.00 0.00 O ATOM 601 CB MET A 41 -6.936 11.762 5.773 1.00 0.00 C ATOM 602 CG MET A 41 -6.523 12.845 6.774 1.00 0.00 C ATOM 603 SD MET A 41 -7.860 13.900 7.391 1.00 0.00 S ATOM 604 CE MET A 41 -8.472 14.595 5.841 1.00 0.00 C ATOM 0 H MET A 41 -4.827 12.412 4.711 1.00 0.00 H new ATOM 0 HA MET A 41 -5.470 10.382 6.540 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.202 12.219 4.820 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.822 11.241 6.135 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.044 12.362 7.626 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.772 13.480 6.304 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.254 15.324 6.053 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.653 15.084 5.313 1.00 0.00 H new ATOM 0 HE3 MET A 41 -8.878 13.797 5.220 1.00 0.00 H new ATOM 614 N ILE A 42 -5.811 9.438 3.498 1.00 0.00 N ATOM 615 CA ILE A 42 -6.100 8.264 2.690 1.00 0.00 C ATOM 616 C ILE A 42 -5.376 7.041 3.278 1.00 0.00 C ATOM 617 O ILE A 42 -5.867 5.918 3.170 1.00 0.00 O ATOM 618 CB ILE A 42 -5.672 8.535 1.239 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.544 9.659 0.648 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.813 7.262 0.397 1.00 0.00 C ATOM 621 CD1 ILE A 42 -5.902 10.272 -0.596 1.00 0.00 C ATOM 0 H ILE A 42 -5.242 10.141 3.027 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.169 8.051 2.697 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.627 8.844 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.527 9.262 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.698 10.434 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.507 7.468 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.181 6.478 0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.852 6.933 0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.545 11.061 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.930 10.691 -0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.772 9.501 -1.356 1.00 0.00 H new ATOM 633 N ALA A 43 -4.216 7.240 3.914 1.00 0.00 N ATOM 634 CA ALA A 43 -3.417 6.155 4.469 1.00 0.00 C ATOM 635 C ALA A 43 -4.222 5.256 5.427 1.00 0.00 C ATOM 636 O ALA A 43 -4.265 4.053 5.182 1.00 0.00 O ATOM 637 CB ALA A 43 -2.159 6.716 5.140 1.00 0.00 C ATOM 0 H ALA A 43 -3.808 8.164 4.056 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.113 5.513 3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.570 5.896 5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.564 7.257 4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.447 7.394 5.943 1.00 0.00 H new ATOM 643 N PRO A 44 -4.860 5.750 6.507 1.00 0.00 N ATOM 644 CA PRO A 44 -5.642 4.899 7.397 1.00 0.00 C ATOM 645 C PRO A 44 -6.763 4.172 6.654 1.00 0.00 C ATOM 646 O PRO A 44 -7.092 3.041 6.997 1.00 0.00 O ATOM 647 CB PRO A 44 -6.187 5.808 8.502 1.00 0.00 C ATOM 648 CG PRO A 44 -6.177 7.183 7.844 1.00 0.00 C ATOM 649 CD PRO A 44 -4.897 7.113 7.008 1.00 0.00 C ATOM 0 HA PRO A 44 -5.020 4.110 7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.191 5.514 8.809 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.560 5.782 9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.061 7.349 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.144 7.988 8.578 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.917 7.835 6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.017 7.338 7.611 1.00 0.00 H new ATOM 657 N LEU A 45 -7.354 4.788 5.631 1.00 0.00 N ATOM 658 CA LEU A 45 -8.387 4.129 4.837 1.00 0.00 C ATOM 659 C LEU A 45 -7.753 2.954 4.085 1.00 0.00 C ATOM 660 O LEU A 45 -8.270 1.837 4.104 1.00 0.00 O ATOM 661 CB LEU A 45 -9.056 5.135 3.892 1.00 0.00 C ATOM 662 CG LEU A 45 -10.227 5.861 4.570 1.00 0.00 C ATOM 663 CD1 LEU A 45 -9.853 6.556 5.883 1.00 0.00 C ATOM 664 CD2 LEU A 45 -10.830 6.879 3.597 1.00 0.00 C ATOM 0 H LEU A 45 -7.135 5.739 5.334 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.173 3.738 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.319 5.866 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.415 4.616 3.003 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.956 5.094 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.734 7.045 6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.479 5.817 6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.080 7.301 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.661 7.394 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.069 7.605 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.190 6.363 2.707 1.00 0.00 H new ATOM 676 N PHE A 46 -6.605 3.193 3.452 1.00 0.00 N ATOM 677 CA PHE A 46 -5.854 2.138 2.784 1.00 0.00 C ATOM 678 C PHE A 46 -5.494 1.047 3.807 1.00 0.00 C ATOM 679 O PHE A 46 -5.566 -0.140 3.498 1.00 0.00 O ATOM 680 CB PHE A 46 -4.621 2.738 2.097 1.00 0.00 C ATOM 681 CG PHE A 46 -3.853 1.765 1.220 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.360 1.390 -0.038 1.00 0.00 C ATOM 683 CD2 PHE A 46 -2.607 1.270 1.643 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.607 0.544 -0.870 1.00 0.00 C ATOM 685 CE2 PHE A 46 -1.849 0.433 0.807 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.346 0.074 -0.456 1.00 0.00 C ATOM 0 H PHE A 46 -6.175 4.116 3.389 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.456 1.670 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.936 3.585 1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.948 3.127 2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.325 1.751 -0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.229 1.535 2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.998 0.252 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.887 0.067 1.135 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.763 -0.560 -1.108 1.00 0.00 H new ATOM 696 N GLU A 47 -5.150 1.432 5.041 1.00 0.00 N ATOM 697 CA GLU A 47 -4.856 0.499 6.126 1.00 0.00 C ATOM 698 C GLU A 47 -6.109 -0.315 6.472 1.00 0.00 C ATOM 699 O GLU A 47 -6.034 -1.523 6.681 1.00 0.00 O ATOM 700 CB GLU A 47 -4.344 1.265 7.354 1.00 0.00 C ATOM 701 CG GLU A 47 -3.669 0.323 8.361 1.00 0.00 C ATOM 702 CD GLU A 47 -2.946 1.111 9.448 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.640 1.883 10.146 1.00 0.00 O ATOM 704 OE2 GLU A 47 -1.711 0.945 9.546 1.00 0.00 O ATOM 0 H GLU A 47 -5.068 2.411 5.314 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.077 -0.192 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.635 2.030 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.175 1.780 7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.418 -0.326 8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.960 -0.322 7.842 1.00 0.00 H new ATOM 711 N THR A 48 -7.268 0.343 6.531 1.00 0.00 N ATOM 712 CA THR A 48 -8.538 -0.316 6.797 1.00 0.00 C ATOM 713 C THR A 48 -8.742 -1.392 5.726 1.00 0.00 C ATOM 714 O THR A 48 -9.045 -2.537 6.050 1.00 0.00 O ATOM 715 CB THR A 48 -9.677 0.721 6.829 1.00 0.00 C ATOM 716 OG1 THR A 48 -9.387 1.721 7.787 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.013 0.093 7.225 1.00 0.00 C ATOM 0 H THR A 48 -7.347 1.351 6.395 1.00 0.00 H new ATOM 0 HA THR A 48 -8.538 -0.797 7.775 1.00 0.00 H new ATOM 0 HB THR A 48 -9.754 1.135 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.652 2.282 7.462 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.787 0.860 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.279 -0.681 6.505 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.927 -0.348 8.218 1.00 0.00 H new ATOM 725 N LEU A 49 -8.524 -1.045 4.452 1.00 0.00 N ATOM 726 CA LEU A 49 -8.611 -2.017 3.366 1.00 0.00 C ATOM 727 C LEU A 49 -7.565 -3.123 3.566 1.00 0.00 C ATOM 728 O LEU A 49 -7.878 -4.300 3.400 1.00 0.00 O ATOM 729 CB LEU A 49 -8.459 -1.309 2.015 1.00 0.00 C ATOM 730 CG LEU A 49 -9.738 -0.546 1.644 1.00 0.00 C ATOM 731 CD1 LEU A 49 -9.412 0.666 0.764 1.00 0.00 C ATOM 732 CD2 LEU A 49 -10.732 -1.450 0.909 1.00 0.00 C ATOM 0 H LEU A 49 -8.287 -0.099 4.152 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.592 -2.493 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.618 -0.617 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.231 -2.042 1.241 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.193 -0.206 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.333 1.192 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.746 1.339 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.925 0.330 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.627 -0.880 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.275 -1.825 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.003 -2.289 1.550 1.00 0.00 H new ATOM 744 N SER A 50 -6.337 -2.767 3.962 1.00 0.00 N ATOM 745 CA SER A 50 -5.286 -3.742 4.245 1.00 0.00 C ATOM 746 C SER A 50 -5.815 -4.784 5.234 1.00 0.00 C ATOM 747 O SER A 50 -5.722 -5.985 4.987 1.00 0.00 O ATOM 748 CB SER A 50 -4.021 -3.057 4.786 1.00 0.00 C ATOM 749 OG SER A 50 -3.584 -1.981 3.978 1.00 0.00 O ATOM 0 H SER A 50 -6.048 -1.798 4.094 1.00 0.00 H new ATOM 0 HA SER A 50 -5.007 -4.241 3.317 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.216 -2.691 5.794 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.221 -3.793 4.864 1.00 0.00 H new ATOM 0 HG SER A 50 -3.785 -2.175 3.039 1.00 0.00 H new ATOM 755 N ASN A 51 -6.406 -4.319 6.339 1.00 0.00 N ATOM 756 CA ASN A 51 -6.976 -5.190 7.360 1.00 0.00 C ATOM 757 C ASN A 51 -8.161 -5.980 6.796 1.00 0.00 C ATOM 758 O ASN A 51 -8.314 -7.154 7.120 1.00 0.00 O ATOM 759 CB ASN A 51 -7.418 -4.346 8.564 1.00 0.00 C ATOM 760 CG ASN A 51 -7.624 -5.146 9.855 1.00 0.00 C ATOM 761 OD1 ASN A 51 -7.374 -4.624 10.936 1.00 0.00 O ATOM 762 ND2 ASN A 51 -8.067 -6.400 9.803 1.00 0.00 N ATOM 0 H ASN A 51 -6.501 -3.325 6.547 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.218 -5.904 7.681 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.671 -3.573 8.745 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.349 -3.837 8.314 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.200 -6.930 10.664 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.274 -6.831 8.902 1.00 0.00 H new ATOM 769 N ASP A 52 -9.022 -5.334 6.003 1.00 0.00 N ATOM 770 CA ASP A 52 -10.207 -5.953 5.420 1.00 0.00 C ATOM 771 C ASP A 52 -9.837 -7.166 4.565 1.00 0.00 C ATOM 772 O ASP A 52 -10.413 -8.239 4.724 1.00 0.00 O ATOM 773 CB ASP A 52 -10.958 -4.923 4.568 1.00 0.00 C ATOM 774 CG ASP A 52 -12.198 -5.526 3.921 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.192 -5.705 4.657 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.132 -5.780 2.699 1.00 0.00 O ATOM 0 H ASP A 52 -8.910 -4.353 5.747 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.848 -6.297 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.247 -4.077 5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.294 -4.537 3.794 1.00 0.00 H new ATOM 781 N TYR A 53 -8.871 -6.995 3.661 1.00 0.00 N ATOM 782 CA TYR A 53 -8.463 -8.056 2.753 1.00 0.00 C ATOM 783 C TYR A 53 -7.541 -9.048 3.463 1.00 0.00 C ATOM 784 O TYR A 53 -7.744 -10.256 3.354 1.00 0.00 O ATOM 785 CB TYR A 53 -7.781 -7.426 1.538 1.00 0.00 C ATOM 786 CG TYR A 53 -8.751 -6.887 0.501 1.00 0.00 C ATOM 787 CD1 TYR A 53 -9.276 -7.756 -0.473 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.142 -5.535 0.503 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.190 -7.284 -1.429 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.045 -5.060 -0.462 1.00 0.00 C ATOM 791 CZ TYR A 53 -10.604 -5.943 -1.398 1.00 0.00 C ATOM 792 OH TYR A 53 -11.490 -5.483 -2.325 1.00 0.00 O ATOM 0 H TYR A 53 -8.356 -6.123 3.542 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.337 -8.616 2.419 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.136 -6.614 1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.138 -8.170 1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -8.974 -8.793 -0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.747 -4.861 1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.574 -7.951 -2.187 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.310 -4.013 -0.484 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.672 -4.534 -2.161 1.00 0.00 H new ATOM 802 N ALA A 54 -6.525 -8.543 4.171 1.00 0.00 N ATOM 803 CA ALA A 54 -5.561 -9.302 4.962 1.00 0.00 C ATOM 804 C ALA A 54 -4.747 -10.318 4.152 1.00 0.00 C ATOM 805 O ALA A 54 -3.555 -10.128 3.914 1.00 0.00 O ATOM 806 CB ALA A 54 -6.273 -9.976 6.143 1.00 0.00 C ATOM 0 H ALA A 54 -6.347 -7.539 4.207 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.829 -8.584 5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.549 -10.541 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.735 -9.215 6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.042 -10.651 5.767 1.00 0.00 H new ATOM 812 N GLY A 55 -5.372 -11.421 3.748 1.00 0.00 N ATOM 813 CA GLY A 55 -4.716 -12.548 3.108 1.00 0.00 C ATOM 814 C GLY A 55 -4.463 -12.360 1.614 1.00 0.00 C ATOM 815 O GLY A 55 -3.316 -12.218 1.190 1.00 0.00 O ATOM 0 H GLY A 55 -6.377 -11.555 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.764 -12.730 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.327 -13.439 3.252 1.00 0.00 H new ATOM 819 N LYS A 56 -5.530 -12.342 0.816 1.00 0.00 N ATOM 820 CA LYS A 56 -5.493 -12.401 -0.647 1.00 0.00 C ATOM 821 C LYS A 56 -4.938 -11.145 -1.351 1.00 0.00 C ATOM 822 O LYS A 56 -5.195 -10.966 -2.539 1.00 0.00 O ATOM 823 CB LYS A 56 -6.934 -12.716 -1.106 1.00 0.00 C ATOM 824 CG LYS A 56 -7.042 -13.654 -2.315 1.00 0.00 C ATOM 825 CD LYS A 56 -8.508 -14.090 -2.473 1.00 0.00 C ATOM 826 CE LYS A 56 -8.745 -14.985 -3.696 1.00 0.00 C ATOM 827 NZ LYS A 56 -7.891 -16.184 -3.698 1.00 0.00 N ATOM 0 H LYS A 56 -6.480 -12.284 1.183 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.782 -13.174 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.475 -13.161 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.435 -11.778 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.699 -13.148 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.402 -14.525 -2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.820 -14.623 -1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.137 -13.203 -2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.791 -15.289 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.559 -14.410 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.257 -16.870 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.919 -15.918 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.892 -16.613 -2.751 1.00 0.00 H new ATOM 841 N VAL A 57 -4.184 -10.275 -0.667 1.00 0.00 N ATOM 842 CA VAL A 57 -3.641 -9.038 -1.230 1.00 0.00 C ATOM 843 C VAL A 57 -2.350 -8.669 -0.497 1.00 0.00 C ATOM 844 O VAL A 57 -2.142 -9.077 0.651 1.00 0.00 O ATOM 845 CB VAL A 57 -4.662 -7.889 -1.083 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.161 -6.608 -1.769 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.041 -8.219 -1.669 1.00 0.00 C ATOM 0 H VAL A 57 -3.931 -10.416 0.311 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.433 -9.193 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.765 -7.743 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.901 -5.817 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.220 -6.296 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.006 -6.801 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.708 -7.368 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.942 -8.434 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.454 -9.090 -1.160 1.00 0.00 H new ATOM 857 N ILE A 58 -1.474 -7.917 -1.168 1.00 0.00 N ATOM 858 CA ILE A 58 -0.243 -7.390 -0.600 1.00 0.00 C ATOM 859 C ILE A 58 -0.393 -5.860 -0.633 1.00 0.00 C ATOM 860 O ILE A 58 -0.286 -5.262 -1.700 1.00 0.00 O ATOM 861 CB ILE A 58 0.946 -7.938 -1.420 1.00 0.00 C ATOM 862 CG1 ILE A 58 1.114 -9.456 -1.248 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.282 -7.283 -1.044 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.227 -10.303 -2.162 1.00 0.00 C ATOM 0 H ILE A 58 -1.610 -7.655 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.053 -7.694 0.429 1.00 0.00 H new ATOM 0 HB ILE A 58 0.701 -7.698 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.156 -9.716 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.899 -9.717 -0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.080 -7.708 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.223 -6.209 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.493 -7.466 0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.413 -11.360 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.821 -10.077 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.456 -10.076 -3.203 1.00 0.00 H new ATOM 876 N PHE A 59 -0.690 -5.228 0.510 1.00 0.00 N ATOM 877 CA PHE A 59 -0.879 -3.781 0.622 1.00 0.00 C ATOM 878 C PHE A 59 0.439 -3.131 1.040 1.00 0.00 C ATOM 879 O PHE A 59 0.760 -3.093 2.227 1.00 0.00 O ATOM 880 CB PHE A 59 -1.963 -3.442 1.656 1.00 0.00 C ATOM 881 CG PHE A 59 -3.393 -3.492 1.152 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.033 -4.724 0.940 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.130 -2.300 1.018 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.380 -4.751 0.539 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.454 -2.326 0.564 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.085 -3.557 0.333 1.00 0.00 C ATOM 0 H PHE A 59 -0.807 -5.719 1.396 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.198 -3.399 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.868 -4.133 2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.769 -2.442 2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.492 -5.648 1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.669 -1.356 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.875 -5.699 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.987 -1.402 0.392 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.111 -3.585 -0.003 1.00 0.00 H new ATOM 896 N LEU A 60 1.193 -2.595 0.081 1.00 0.00 N ATOM 897 CA LEU A 60 2.458 -1.924 0.352 1.00 0.00 C ATOM 898 C LEU A 60 2.211 -0.433 0.602 1.00 0.00 C ATOM 899 O LEU A 60 1.666 0.254 -0.257 1.00 0.00 O ATOM 900 CB LEU A 60 3.402 -2.105 -0.846 1.00 0.00 C ATOM 901 CG LEU A 60 3.867 -3.541 -1.114 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.894 -3.525 -2.254 1.00 0.00 C ATOM 903 CD2 LEU A 60 4.511 -4.200 0.107 1.00 0.00 C ATOM 0 H LEU A 60 0.941 -2.615 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 60 2.916 -2.361 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.901 -1.732 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.282 -1.481 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 60 2.982 -4.122 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.232 -4.542 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.434 -3.113 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.746 -2.909 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.819 -5.214 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.383 -3.623 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.791 -4.233 0.925 1.00 0.00 H new ATOM 915 N LYS A 61 2.606 0.079 1.769 1.00 0.00 N ATOM 916 CA LYS A 61 2.497 1.493 2.114 1.00 0.00 C ATOM 917 C LYS A 61 3.858 2.151 1.901 1.00 0.00 C ATOM 918 O LYS A 61 4.805 1.790 2.595 1.00 0.00 O ATOM 919 CB LYS A 61 2.058 1.616 3.576 1.00 0.00 C ATOM 920 CG LYS A 61 0.569 1.288 3.697 1.00 0.00 C ATOM 921 CD LYS A 61 0.174 1.224 5.176 1.00 0.00 C ATOM 922 CE LYS A 61 -1.337 1.323 5.372 1.00 0.00 C ATOM 923 NZ LYS A 61 -1.818 2.680 5.062 1.00 0.00 N ATOM 0 H LYS A 61 3.017 -0.488 2.511 1.00 0.00 H new ATOM 0 HA LYS A 61 1.759 1.990 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.641 0.938 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.248 2.626 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.023 2.046 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.356 0.335 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.535 0.290 5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.663 2.034 5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.839 0.599 4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.592 1.068 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.836 2.743 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.304 3.372 5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.654 2.885 4.056 1.00 0.00 H new ATOM 937 N VAL A 62 3.969 3.099 0.962 1.00 0.00 N ATOM 938 CA VAL A 62 5.233 3.756 0.651 1.00 0.00 C ATOM 939 C VAL A 62 5.122 5.268 0.842 1.00 0.00 C ATOM 940 O VAL A 62 4.327 5.916 0.160 1.00 0.00 O ATOM 941 CB VAL A 62 5.657 3.436 -0.793 1.00 0.00 C ATOM 942 CG1 VAL A 62 7.067 3.984 -1.064 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.692 1.922 -1.027 1.00 0.00 C ATOM 0 H VAL A 62 3.183 3.428 0.401 1.00 0.00 H new ATOM 0 HA VAL A 62 5.991 3.378 1.337 1.00 0.00 H new ATOM 0 HB VAL A 62 4.930 3.899 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.357 3.752 -2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.071 5.065 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.775 3.525 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.994 1.720 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.406 1.464 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.701 1.504 -0.851 1.00 0.00 H new ATOM 953 N ASP A 63 5.936 5.829 1.747 1.00 0.00 N ATOM 954 CA ASP A 63 6.047 7.270 1.907 1.00 0.00 C ATOM 955 C ASP A 63 7.032 7.731 0.828 1.00 0.00 C ATOM 956 O ASP A 63 8.243 7.559 0.974 1.00 0.00 O ATOM 957 CB ASP A 63 6.498 7.667 3.314 1.00 0.00 C ATOM 958 CG ASP A 63 6.544 9.191 3.449 1.00 0.00 C ATOM 959 OD1 ASP A 63 7.412 9.805 2.788 1.00 0.00 O ATOM 960 OD2 ASP A 63 5.692 9.728 4.191 1.00 0.00 O ATOM 0 H ASP A 63 6.529 5.293 2.381 1.00 0.00 H new ATOM 0 HA ASP A 63 5.078 7.754 1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.814 7.250 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.483 7.247 3.519 1.00 0.00 H new ATOM 965 N VAL A 64 6.488 8.260 -0.270 1.00 0.00 N ATOM 966 CA VAL A 64 7.216 8.715 -1.451 1.00 0.00 C ATOM 967 C VAL A 64 8.455 9.527 -1.068 1.00 0.00 C ATOM 968 O VAL A 64 9.572 9.178 -1.445 1.00 0.00 O ATOM 969 CB VAL A 64 6.249 9.524 -2.342 1.00 0.00 C ATOM 970 CG1 VAL A 64 6.949 10.311 -3.457 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.237 8.570 -2.984 1.00 0.00 C ATOM 0 H VAL A 64 5.480 8.388 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 64 7.581 7.853 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 64 5.765 10.251 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.206 10.854 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.652 11.018 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.487 9.621 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.552 9.137 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.765 7.835 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.673 8.059 -2.204 1.00 0.00 H new ATOM 981 N ASP A 65 8.248 10.620 -0.334 1.00 0.00 N ATOM 982 CA ASP A 65 9.301 11.539 0.067 1.00 0.00 C ATOM 983 C ASP A 65 10.389 10.830 0.872 1.00 0.00 C ATOM 984 O ASP A 65 11.570 11.092 0.655 1.00 0.00 O ATOM 985 CB ASP A 65 8.682 12.703 0.841 1.00 0.00 C ATOM 986 CG ASP A 65 7.849 13.548 -0.114 1.00 0.00 C ATOM 987 OD1 ASP A 65 6.764 13.062 -0.498 1.00 0.00 O ATOM 988 OD2 ASP A 65 8.327 14.646 -0.470 1.00 0.00 O ATOM 0 H ASP A 65 7.324 10.892 0.003 1.00 0.00 H new ATOM 0 HA ASP A 65 9.791 11.932 -0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.058 12.326 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.464 13.310 1.296 1.00 0.00 H new ATOM 993 N ALA A 66 10.011 9.948 1.801 1.00 0.00 N ATOM 994 CA ALA A 66 10.982 9.229 2.610 1.00 0.00 C ATOM 995 C ALA A 66 11.780 8.261 1.735 1.00 0.00 C ATOM 996 O ALA A 66 12.974 8.471 1.518 1.00 0.00 O ATOM 997 CB ALA A 66 10.281 8.498 3.755 1.00 0.00 C ATOM 0 H ALA A 66 9.039 9.719 2.007 1.00 0.00 H new ATOM 0 HA ALA A 66 11.681 9.942 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.020 7.964 4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.760 9.221 4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.562 7.787 3.347 1.00 0.00 H new ATOM 1003 N VAL A 67 11.150 7.206 1.204 1.00 0.00 N ATOM 1004 CA VAL A 67 11.882 6.248 0.377 1.00 0.00 C ATOM 1005 C VAL A 67 11.908 6.728 -1.075 1.00 0.00 C ATOM 1006 O VAL A 67 11.436 6.054 -1.993 1.00 0.00 O ATOM 1007 CB VAL A 67 11.394 4.807 0.567 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.847 4.247 1.924 1.00 0.00 C ATOM 1009 CG2 VAL A 67 9.891 4.637 0.411 1.00 0.00 C ATOM 0 H VAL A 67 10.159 6.999 1.329 1.00 0.00 H new ATOM 0 HA VAL A 67 12.918 6.210 0.713 1.00 0.00 H new ATOM 0 HB VAL A 67 11.855 4.237 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.488 3.224 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.936 4.257 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.439 4.862 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.626 3.590 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.377 5.250 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.592 4.948 -0.590 1.00 0.00 H new ATOM 1019 N ALA A 68 12.562 7.878 -1.271 1.00 0.00 N ATOM 1020 CA ALA A 68 12.757 8.509 -2.568 1.00 0.00 C ATOM 1021 C ALA A 68 13.286 7.496 -3.586 1.00 0.00 C ATOM 1022 O ALA A 68 12.841 7.481 -4.729 1.00 0.00 O ATOM 1023 CB ALA A 68 13.726 9.684 -2.415 1.00 0.00 C ATOM 0 H ALA A 68 12.980 8.406 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 68 11.801 8.880 -2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.876 10.161 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.311 10.409 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.682 9.321 -2.038 1.00 0.00 H new ATOM 1029 N ALA A 69 14.213 6.633 -3.160 1.00 0.00 N ATOM 1030 CA ALA A 69 14.789 5.587 -3.996 1.00 0.00 C ATOM 1031 C ALA A 69 13.697 4.672 -4.564 1.00 0.00 C ATOM 1032 O ALA A 69 13.672 4.385 -5.759 1.00 0.00 O ATOM 1033 CB ALA A 69 15.788 4.775 -3.167 1.00 0.00 C ATOM 0 H ALA A 69 14.587 6.645 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 69 15.303 6.050 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.222 3.991 -3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.579 5.432 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.274 4.324 -2.318 1.00 0.00 H new ATOM 1039 N VAL A 70 12.787 4.208 -3.702 1.00 0.00 N ATOM 1040 CA VAL A 70 11.706 3.321 -4.109 1.00 0.00 C ATOM 1041 C VAL A 70 10.771 4.097 -5.035 1.00 0.00 C ATOM 1042 O VAL A 70 10.374 3.599 -6.086 1.00 0.00 O ATOM 1043 CB VAL A 70 10.979 2.771 -2.869 1.00 0.00 C ATOM 1044 CG1 VAL A 70 9.860 1.795 -3.259 1.00 0.00 C ATOM 1045 CG2 VAL A 70 11.961 2.019 -1.960 1.00 0.00 C ATOM 0 H VAL A 70 12.783 4.438 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 70 12.094 2.459 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 70 10.552 3.628 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.368 1.427 -2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.131 2.309 -3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.285 0.956 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.430 1.637 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.402 1.187 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.750 2.698 -1.636 1.00 0.00 H new ATOM 1055 N ALA A 71 10.440 5.331 -4.649 1.00 0.00 N ATOM 1056 CA ALA A 71 9.569 6.192 -5.438 1.00 0.00 C ATOM 1057 C ALA A 71 10.102 6.372 -6.865 1.00 0.00 C ATOM 1058 O ALA A 71 9.382 6.102 -7.825 1.00 0.00 O ATOM 1059 CB ALA A 71 9.419 7.543 -4.739 1.00 0.00 C ATOM 0 H ALA A 71 10.769 5.757 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 71 8.591 5.718 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.767 8.188 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.984 7.395 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.398 8.011 -4.638 1.00 0.00 H new ATOM 1065 N GLU A 72 11.350 6.822 -7.022 1.00 0.00 N ATOM 1066 CA GLU A 72 11.915 7.035 -8.348 1.00 0.00 C ATOM 1067 C GLU A 72 12.031 5.697 -9.082 1.00 0.00 C ATOM 1068 O GLU A 72 11.700 5.631 -10.263 1.00 0.00 O ATOM 1069 CB GLU A 72 13.244 7.805 -8.270 1.00 0.00 C ATOM 1070 CG GLU A 72 14.405 7.029 -7.643 1.00 0.00 C ATOM 1071 CD GLU A 72 15.608 7.933 -7.400 1.00 0.00 C ATOM 1072 OE1 GLU A 72 16.319 8.209 -8.390 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.791 8.338 -6.231 1.00 0.00 O ATOM 0 H GLU A 72 11.980 7.043 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 72 11.245 7.666 -8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.531 8.108 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.085 8.718 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.083 6.587 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.692 6.207 -8.299 1.00 0.00 H new ATOM 1080 N ALA A 73 12.450 4.622 -8.400 1.00 0.00 N ATOM 1081 CA ALA A 73 12.527 3.303 -9.024 1.00 0.00 C ATOM 1082 C ALA A 73 11.162 2.908 -9.599 1.00 0.00 C ATOM 1083 O ALA A 73 11.083 2.385 -10.707 1.00 0.00 O ATOM 1084 CB ALA A 73 13.011 2.266 -8.007 1.00 0.00 C ATOM 0 H ALA A 73 12.738 4.644 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 73 13.245 3.340 -9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.065 1.287 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.999 2.547 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.314 2.225 -7.170 1.00 0.00 H new ATOM 1090 N ALA A 74 10.082 3.180 -8.858 1.00 0.00 N ATOM 1091 CA ALA A 74 8.717 2.899 -9.291 1.00 0.00 C ATOM 1092 C ALA A 74 8.161 3.995 -10.217 1.00 0.00 C ATOM 1093 O ALA A 74 6.979 3.965 -10.555 1.00 0.00 O ATOM 1094 CB ALA A 74 7.840 2.725 -8.048 1.00 0.00 C ATOM 0 H ALA A 74 10.136 3.605 -7.933 1.00 0.00 H new ATOM 0 HA ALA A 74 8.716 1.981 -9.879 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.815 2.514 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.218 1.897 -7.449 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.862 3.640 -7.456 1.00 0.00 H new ATOM 1100 N GLY A 75 8.982 4.967 -10.631 1.00 0.00 N ATOM 1101 CA GLY A 75 8.592 6.026 -11.551 1.00 0.00 C ATOM 1102 C GLY A 75 7.494 6.925 -10.985 1.00 0.00 C ATOM 1103 O GLY A 75 6.601 7.346 -11.717 1.00 0.00 O ATOM 0 H GLY A 75 9.953 5.035 -10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.465 6.633 -11.791 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.247 5.582 -12.484 1.00 0.00 H new ATOM 1107 N ILE A 76 7.561 7.233 -9.689 1.00 0.00 N ATOM 1108 CA ILE A 76 6.592 8.093 -9.022 1.00 0.00 C ATOM 1109 C ILE A 76 7.115 9.530 -9.013 1.00 0.00 C ATOM 1110 O ILE A 76 8.321 9.774 -9.068 1.00 0.00 O ATOM 1111 CB ILE A 76 6.343 7.579 -7.592 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.936 6.095 -7.589 1.00 0.00 C ATOM 1113 CG2 ILE A 76 5.266 8.411 -6.882 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.626 5.788 -8.317 1.00 0.00 C ATOM 0 H ILE A 76 8.296 6.888 -9.071 1.00 0.00 H new ATOM 0 HA ILE A 76 5.643 8.075 -9.557 1.00 0.00 H new ATOM 0 HB ILE A 76 7.283 7.682 -7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.735 5.513 -8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.849 5.759 -6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.112 8.024 -5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.588 9.451 -6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.332 8.350 -7.440 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.421 4.719 -8.262 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.811 6.338 -7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.711 6.088 -9.361 1.00 0.00 H new ATOM 1126 N THR A 77 6.195 10.493 -8.957 1.00 0.00 N ATOM 1127 CA THR A 77 6.495 11.916 -8.872 1.00 0.00 C ATOM 1128 C THR A 77 5.306 12.586 -8.184 1.00 0.00 C ATOM 1129 O THR A 77 5.465 13.215 -7.142 1.00 0.00 O ATOM 1130 CB THR A 77 6.781 12.498 -10.269 1.00 0.00 C ATOM 1131 OG1 THR A 77 7.782 11.744 -10.924 1.00 0.00 O ATOM 1132 CG2 THR A 77 7.271 13.945 -10.170 1.00 0.00 C ATOM 0 H THR A 77 5.194 10.296 -8.970 1.00 0.00 H new ATOM 0 HA THR A 77 7.398 12.098 -8.289 1.00 0.00 H new ATOM 0 HB THR A 77 5.848 12.460 -10.832 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.951 12.125 -11.811 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.466 14.332 -11.170 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.508 14.555 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.189 13.979 -9.583 1.00 0.00 H new ATOM 1140 N ALA A 78 4.110 12.427 -8.759 1.00 0.00 N ATOM 1141 CA ALA A 78 2.871 12.915 -8.172 1.00 0.00 C ATOM 1142 C ALA A 78 2.311 11.837 -7.242 1.00 0.00 C ATOM 1143 O ALA A 78 2.654 10.660 -7.380 1.00 0.00 O ATOM 1144 CB ALA A 78 1.873 13.240 -9.287 1.00 0.00 C ATOM 0 H ALA A 78 3.980 11.951 -9.652 1.00 0.00 H new ATOM 0 HA ALA A 78 3.054 13.823 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.944 13.606 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.293 14.006 -9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.671 12.340 -9.868 1.00 0.00 H new ATOM 1150 N MET A 79 1.440 12.228 -6.309 1.00 0.00 N ATOM 1151 CA MET A 79 0.795 11.338 -5.359 1.00 0.00 C ATOM 1152 C MET A 79 -0.475 12.035 -4.848 1.00 0.00 C ATOM 1153 O MET A 79 -0.529 13.262 -4.950 1.00 0.00 O ATOM 1154 CB MET A 79 1.762 10.993 -4.216 1.00 0.00 C ATOM 1155 CG MET A 79 2.387 12.189 -3.481 1.00 0.00 C ATOM 1156 SD MET A 79 3.809 12.960 -4.297 1.00 0.00 S ATOM 1157 CE MET A 79 4.271 14.169 -3.038 1.00 0.00 C ATOM 0 H MET A 79 1.160 13.202 -6.196 1.00 0.00 H new ATOM 0 HA MET A 79 0.519 10.396 -5.832 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.229 10.382 -3.487 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.567 10.379 -4.620 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.617 12.948 -3.341 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.696 11.861 -2.489 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.137 14.737 -3.379 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.437 14.849 -2.863 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.518 13.652 -2.111 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.488 11.333 -4.298 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.602 9.888 -4.105 1.00 0.00 C ATOM 1169 C PRO A 80 -1.570 9.107 -5.417 1.00 0.00 C ATOM 1170 O PRO A 80 -2.364 9.388 -6.313 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.958 9.652 -3.426 1.00 0.00 C ATOM 1172 CG PRO A 80 -3.275 10.983 -2.762 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.633 12.001 -3.702 1.00 0.00 C ATOM 0 HA PRO A 80 -0.756 9.540 -3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.724 9.375 -4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.903 8.845 -2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.349 11.141 -2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.856 11.042 -1.757 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.338 12.323 -4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.324 12.893 -3.158 1.00 0.00 H new ATOM 1181 N THR A 81 -0.673 8.125 -5.520 1.00 0.00 N ATOM 1182 CA THR A 81 -0.561 7.264 -6.687 1.00 0.00 C ATOM 1183 C THR A 81 -0.626 5.819 -6.204 1.00 0.00 C ATOM 1184 O THR A 81 0.180 5.394 -5.379 1.00 0.00 O ATOM 1185 CB THR A 81 0.733 7.579 -7.450 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.639 8.877 -7.994 1.00 0.00 O ATOM 1187 CG2 THR A 81 0.963 6.603 -8.606 1.00 0.00 C ATOM 0 H THR A 81 0.000 7.907 -4.786 1.00 0.00 H new ATOM 0 HA THR A 81 -1.377 7.434 -7.389 1.00 0.00 H new ATOM 0 HB THR A 81 1.562 7.495 -6.747 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.408 9.410 -7.703 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.889 6.860 -9.121 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.034 5.588 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.130 6.665 -9.306 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.596 5.066 -6.717 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.815 3.672 -6.389 1.00 0.00 C ATOM 1197 C PHE A 82 -1.486 2.830 -7.613 1.00 0.00 C ATOM 1198 O PHE A 82 -1.972 3.141 -8.697 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.277 3.469 -5.977 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.624 4.168 -4.679 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.330 3.539 -3.456 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.101 5.492 -4.691 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.493 4.241 -2.251 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.254 6.194 -3.482 1.00 0.00 C ATOM 1205 CZ PHE A 82 -3.910 5.580 -2.266 1.00 0.00 C ATOM 0 H PHE A 82 -2.269 5.427 -7.393 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.176 3.371 -5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.928 3.840 -6.769 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.476 2.402 -5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.979 2.518 -3.444 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.349 5.969 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.297 3.749 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.636 7.204 -3.488 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.967 6.139 -1.343 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.656 1.796 -7.471 1.00 0.00 N ATOM 1216 CA HIS A 83 -0.365 0.855 -8.554 1.00 0.00 C ATOM 1217 C HIS A 83 -0.762 -0.539 -8.071 1.00 0.00 C ATOM 1218 O HIS A 83 -0.717 -0.800 -6.869 1.00 0.00 O ATOM 1219 CB HIS A 83 1.119 0.817 -8.919 1.00 0.00 C ATOM 1220 CG HIS A 83 1.781 2.028 -9.522 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.137 1.974 -9.852 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.303 3.275 -9.825 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.423 3.186 -10.334 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.357 4.000 -10.348 1.00 0.00 N ATOM 0 H HIS A 83 -0.166 1.587 -6.601 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.919 1.173 -9.437 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.669 0.566 -8.012 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.260 -0.009 -9.616 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.292 3.626 -9.682 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.405 3.479 -10.675 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.330 4.964 -10.679 1.00 0.00 H new ATOM 1232 N VAL A 84 -1.122 -1.430 -8.997 1.00 0.00 N ATOM 1233 CA VAL A 84 -1.478 -2.811 -8.709 1.00 0.00 C ATOM 1234 C VAL A 84 -0.509 -3.721 -9.466 1.00 0.00 C ATOM 1235 O VAL A 84 -0.741 -4.007 -10.641 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.934 -3.101 -9.131 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -3.356 -4.456 -8.549 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.923 -2.031 -8.661 1.00 0.00 C ATOM 0 H VAL A 84 -1.174 -1.201 -9.990 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.406 -2.996 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.959 -3.105 -10.221 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.384 -4.673 -8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.698 -5.237 -8.931 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.286 -4.423 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.928 -2.295 -8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.902 -1.969 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.644 -1.066 -9.085 1.00 0.00 H new ATOM 1248 N TYR A 85 0.581 -4.166 -8.833 1.00 0.00 N ATOM 1249 CA TYR A 85 1.503 -5.094 -9.479 1.00 0.00 C ATOM 1250 C TYR A 85 1.015 -6.510 -9.189 1.00 0.00 C ATOM 1251 O TYR A 85 1.149 -6.993 -8.069 1.00 0.00 O ATOM 1252 CB TYR A 85 2.965 -4.887 -9.047 1.00 0.00 C ATOM 1253 CG TYR A 85 3.585 -3.554 -9.418 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.236 -2.398 -8.697 1.00 0.00 C ATOM 1255 CD2 TYR A 85 4.620 -3.489 -10.372 1.00 0.00 C ATOM 1256 CE1 TYR A 85 3.836 -1.169 -9.014 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.178 -2.247 -10.723 1.00 0.00 C ATOM 1258 CZ TYR A 85 4.742 -1.078 -10.080 1.00 0.00 C ATOM 1259 OH TYR A 85 5.158 0.144 -10.513 1.00 0.00 O ATOM 0 H TYR A 85 0.841 -3.900 -7.883 1.00 0.00 H new ATOM 0 HA TYR A 85 1.505 -4.909 -10.553 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.023 -5.004 -7.965 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.569 -5.681 -9.486 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.508 -2.456 -7.901 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.985 -4.394 -10.834 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.599 -0.290 -8.434 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.941 -2.193 -11.486 1.00 0.00 H new ATOM 0 HH TYR A 85 4.514 0.827 -10.233 1.00 0.00 H new ATOM 1269 N LYS A 86 0.407 -7.185 -10.166 1.00 0.00 N ATOM 1270 CA LYS A 86 -0.002 -8.564 -9.947 1.00 0.00 C ATOM 1271 C LYS A 86 1.265 -9.401 -10.056 1.00 0.00 C ATOM 1272 O LYS A 86 1.989 -9.238 -11.039 1.00 0.00 O ATOM 1273 CB LYS A 86 -1.074 -8.989 -10.957 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.417 -10.471 -10.745 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.746 -10.885 -11.391 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.984 -10.346 -10.659 1.00 0.00 C ATOM 1277 NZ LYS A 86 -3.983 -10.717 -9.232 1.00 0.00 N ATOM 0 H LYS A 86 0.194 -6.809 -11.090 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.462 -8.698 -8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.967 -8.377 -10.835 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.715 -8.829 -11.974 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.615 -11.085 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.461 -10.677 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.763 -10.533 -12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.800 -11.973 -11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.017 -9.260 -10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.885 -10.734 -11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.952 -10.661 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.626 -11.688 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.370 -10.064 -8.704 1.00 0.00 H new ATOM 1291 N ASP A 87 1.548 -10.243 -9.050 1.00 0.00 N ATOM 1292 CA ASP A 87 2.740 -11.089 -8.921 1.00 0.00 C ATOM 1293 C ASP A 87 3.959 -10.202 -8.667 1.00 0.00 C ATOM 1294 O ASP A 87 4.571 -10.242 -7.605 1.00 0.00 O ATOM 1295 CB ASP A 87 2.943 -11.979 -10.161 1.00 0.00 C ATOM 1296 CG ASP A 87 4.241 -12.775 -10.069 1.00 0.00 C ATOM 1297 OD1 ASP A 87 4.186 -13.895 -9.522 1.00 0.00 O ATOM 1298 OD2 ASP A 87 5.262 -12.246 -10.559 1.00 0.00 O ATOM 0 H ASP A 87 0.913 -10.357 -8.260 1.00 0.00 H new ATOM 0 HA ASP A 87 2.604 -11.763 -8.075 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.101 -12.664 -10.261 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.958 -11.359 -11.057 1.00 0.00 H new ATOM 1303 N GLY A 88 4.274 -9.387 -9.666 1.00 0.00 N ATOM 1304 CA GLY A 88 5.346 -8.412 -9.665 1.00 0.00 C ATOM 1305 C GLY A 88 5.327 -7.528 -10.916 1.00 0.00 C ATOM 1306 O GLY A 88 6.359 -6.950 -11.250 1.00 0.00 O ATOM 0 H GLY A 88 3.757 -9.393 -10.545 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.263 -7.784 -8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.304 -8.928 -9.602 1.00 0.00 H new ATOM 1310 N VAL A 89 4.184 -7.392 -11.608 1.00 0.00 N ATOM 1311 CA VAL A 89 4.079 -6.565 -12.808 1.00 0.00 C ATOM 1312 C VAL A 89 2.798 -5.726 -12.743 1.00 0.00 C ATOM 1313 O VAL A 89 1.714 -6.264 -12.516 1.00 0.00 O ATOM 1314 CB VAL A 89 4.160 -7.450 -14.069 1.00 0.00 C ATOM 1315 CG1 VAL A 89 3.151 -8.606 -14.099 1.00 0.00 C ATOM 1316 CG2 VAL A 89 4.014 -6.604 -15.341 1.00 0.00 C ATOM 0 H VAL A 89 3.312 -7.853 -11.347 1.00 0.00 H new ATOM 0 HA VAL A 89 4.916 -5.868 -12.862 1.00 0.00 H new ATOM 0 HB VAL A 89 5.149 -7.907 -14.031 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.278 -9.176 -15.019 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.319 -9.258 -13.242 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.138 -8.206 -14.057 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.074 -7.250 -16.217 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.050 -6.095 -15.331 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.814 -5.865 -15.380 1.00 0.00 H new ATOM 1326 N LYS A 90 2.946 -4.400 -12.889 1.00 0.00 N ATOM 1327 CA LYS A 90 1.874 -3.408 -12.884 1.00 0.00 C ATOM 1328 C LYS A 90 0.754 -3.813 -13.848 1.00 0.00 C ATOM 1329 O LYS A 90 0.829 -3.562 -15.048 1.00 0.00 O ATOM 1330 CB LYS A 90 2.435 -2.021 -13.241 1.00 0.00 C ATOM 1331 CG LYS A 90 1.438 -0.928 -12.827 1.00 0.00 C ATOM 1332 CD LYS A 90 1.951 0.488 -13.130 1.00 0.00 C ATOM 1333 CE LYS A 90 1.975 0.819 -14.628 1.00 0.00 C ATOM 1334 NZ LYS A 90 0.638 0.718 -15.245 1.00 0.00 N ATOM 0 H LYS A 90 3.864 -3.976 -13.020 1.00 0.00 H new ATOM 0 HA LYS A 90 1.448 -3.360 -11.882 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.389 -1.865 -12.737 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.627 -1.962 -14.312 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.494 -1.087 -13.348 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.232 -1.015 -11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.320 1.213 -12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.957 0.596 -12.725 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.362 1.828 -14.769 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.660 0.141 -15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.665 1.126 -16.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.357 -0.282 -15.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.052 1.239 -14.666 1.00 0.00 H new ATOM 1348 N ALA A 91 -0.294 -4.428 -13.305 1.00 0.00 N ATOM 1349 CA ALA A 91 -1.464 -4.856 -14.046 1.00 0.00 C ATOM 1350 C ALA A 91 -2.430 -3.689 -14.220 1.00 0.00 C ATOM 1351 O ALA A 91 -3.162 -3.633 -15.205 1.00 0.00 O ATOM 1352 CB ALA A 91 -2.140 -6.000 -13.286 1.00 0.00 C ATOM 0 H ALA A 91 -0.348 -4.645 -12.310 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.167 -5.203 -15.036 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.022 -6.330 -13.835 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.443 -6.832 -13.185 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.437 -5.654 -12.296 1.00 0.00 H new ATOM 1358 N ASP A 92 -2.453 -2.769 -13.250 1.00 0.00 N ATOM 1359 CA ASP A 92 -3.368 -1.634 -13.232 1.00 0.00 C ATOM 1360 C ASP A 92 -2.811 -0.564 -12.294 1.00 0.00 C ATOM 1361 O ASP A 92 -1.800 -0.810 -11.630 1.00 0.00 O ATOM 1362 CB ASP A 92 -4.732 -2.154 -12.766 1.00 0.00 C ATOM 1363 CG ASP A 92 -5.929 -1.348 -13.241 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -5.770 -0.126 -13.445 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -6.994 -1.994 -13.368 1.00 0.00 O ATOM 0 H ASP A 92 -1.826 -2.797 -12.446 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.479 -1.180 -14.217 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.847 -3.182 -13.109 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.740 -2.179 -11.676 1.00 0.00 H new ATOM 1370 N ASP A 93 -3.426 0.620 -12.245 1.00 0.00 N ATOM 1371 CA ASP A 93 -3.014 1.717 -11.387 1.00 0.00 C ATOM 1372 C ASP A 93 -4.168 2.706 -11.244 1.00 0.00 C ATOM 1373 O ASP A 93 -5.247 2.505 -11.796 1.00 0.00 O ATOM 1374 CB ASP A 93 -1.750 2.400 -11.933 1.00 0.00 C ATOM 1375 CG ASP A 93 -1.952 3.036 -13.302 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -2.511 4.153 -13.332 1.00 0.00 O ATOM 1377 OD2 ASP A 93 -1.515 2.404 -14.289 1.00 0.00 O ATOM 0 H ASP A 93 -4.242 0.841 -12.816 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.763 1.327 -10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.426 3.166 -11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.947 1.665 -11.996 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.918 3.774 -10.490 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.849 4.844 -10.191 1.00 0.00 C ATOM 1384 C LEU A 94 -4.026 6.008 -9.627 1.00 0.00 C ATOM 1385 O LEU A 94 -3.565 5.970 -8.488 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.922 4.303 -9.229 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.607 5.365 -8.351 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.325 6.421 -9.203 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.582 4.686 -7.385 1.00 0.00 C ATOM 0 H LEU A 94 -3.009 3.918 -10.050 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.385 5.212 -11.066 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.686 3.789 -9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.463 3.558 -8.579 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.840 5.883 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.798 7.155 -8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.602 6.921 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.086 5.938 -9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.065 5.441 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.339 4.144 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.037 3.988 -6.749 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.841 7.059 -10.424 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.031 8.230 -10.093 1.00 0.00 C ATOM 1403 C VAL A 95 -3.807 9.295 -9.297 1.00 0.00 C ATOM 1404 O VAL A 95 -3.560 10.488 -9.461 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.479 8.819 -11.405 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.552 7.822 -12.114 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.610 9.243 -12.354 1.00 0.00 C ATOM 0 H VAL A 95 -4.265 7.121 -11.349 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.217 7.913 -9.441 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.904 9.705 -11.138 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.178 8.266 -13.037 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.713 7.579 -11.462 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.106 6.913 -12.347 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.183 9.654 -13.269 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.224 8.376 -12.598 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.227 10.000 -11.870 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.766 8.897 -8.460 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.537 9.854 -7.677 1.00 0.00 C ATOM 1419 C GLY A 96 -6.252 9.206 -6.495 1.00 0.00 C ATOM 1420 O GLY A 96 -6.372 7.985 -6.413 1.00 0.00 O ATOM 0 H GLY A 96 -5.024 7.922 -8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.873 10.636 -7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.272 10.336 -8.321 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.787 10.038 -5.596 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.477 9.630 -4.372 1.00 0.00 C ATOM 1426 C ALA A 97 -8.890 9.079 -4.635 1.00 0.00 C ATOM 1427 O ALA A 97 -9.814 9.338 -3.864 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.572 10.861 -3.464 1.00 0.00 C ATOM 0 H ALA A 97 -6.749 11.051 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.910 8.822 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.083 10.592 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.569 11.221 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.132 11.646 -3.973 1.00 0.00 H new ATOM 1434 N SER A 98 -9.095 8.315 -5.711 1.00 0.00 N ATOM 1435 CA SER A 98 -10.420 7.803 -6.043 1.00 0.00 C ATOM 1436 C SER A 98 -10.715 6.556 -5.209 1.00 0.00 C ATOM 1437 O SER A 98 -10.767 5.457 -5.748 1.00 0.00 O ATOM 1438 CB SER A 98 -10.499 7.518 -7.545 1.00 0.00 C ATOM 1439 OG SER A 98 -10.195 8.692 -8.271 1.00 0.00 O ATOM 0 H SER A 98 -8.361 8.040 -6.363 1.00 0.00 H new ATOM 0 HA SER A 98 -11.180 8.548 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.801 6.724 -7.811 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.497 7.166 -7.806 1.00 0.00 H new ATOM 0 HG SER A 98 -10.245 8.505 -9.232 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.934 6.740 -3.903 1.00 0.00 N ATOM 1446 CA GLN A 99 -11.159 5.684 -2.915 1.00 0.00 C ATOM 1447 C GLN A 99 -12.037 4.534 -3.428 1.00 0.00 C ATOM 1448 O GLN A 99 -11.654 3.372 -3.325 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.784 6.296 -1.650 1.00 0.00 C ATOM 1450 CG GLN A 99 -10.902 7.367 -0.990 1.00 0.00 C ATOM 1451 CD GLN A 99 -9.503 6.843 -0.688 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -8.532 7.241 -1.324 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -9.395 5.925 0.270 1.00 0.00 N ATOM 0 H GLN A 99 -10.960 7.672 -3.489 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.185 5.247 -2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.747 6.737 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.979 5.502 -0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.831 8.234 -1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.371 7.704 -0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.224 5.618 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.483 5.529 0.496 1.00 0.00 H new ATOM 1462 N ASP A 100 -13.216 4.841 -3.977 1.00 0.00 N ATOM 1463 CA ASP A 100 -14.119 3.813 -4.488 1.00 0.00 C ATOM 1464 C ASP A 100 -13.446 2.993 -5.596 1.00 0.00 C ATOM 1465 O ASP A 100 -13.529 1.767 -5.615 1.00 0.00 O ATOM 1466 CB ASP A 100 -15.399 4.469 -5.011 1.00 0.00 C ATOM 1467 CG ASP A 100 -16.351 3.417 -5.569 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -17.014 2.758 -4.739 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -16.387 3.289 -6.811 1.00 0.00 O ATOM 0 H ASP A 100 -13.565 5.794 -4.078 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.370 3.132 -3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.887 5.019 -4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.152 5.193 -5.788 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.760 3.677 -6.513 1.00 0.00 N ATOM 1475 CA LYS A 101 -12.058 3.046 -7.618 1.00 0.00 C ATOM 1476 C LYS A 101 -10.917 2.197 -7.047 1.00 0.00 C ATOM 1477 O LYS A 101 -10.692 1.079 -7.495 1.00 0.00 O ATOM 1478 CB LYS A 101 -11.587 4.143 -8.586 1.00 0.00 C ATOM 1479 CG LYS A 101 -11.361 3.666 -10.025 1.00 0.00 C ATOM 1480 CD LYS A 101 -9.951 3.112 -10.257 1.00 0.00 C ATOM 1481 CE LYS A 101 -9.755 2.622 -11.698 1.00 0.00 C ATOM 1482 NZ LYS A 101 -10.560 1.424 -11.989 1.00 0.00 N ATOM 0 H LYS A 101 -12.679 4.694 -6.504 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.700 2.374 -8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.326 4.945 -8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.658 4.569 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.093 2.895 -10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.536 4.496 -10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.216 3.886 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.767 2.289 -9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.026 3.418 -12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.701 2.400 -11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.310 1.058 -12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.370 0.695 -11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.570 1.672 -11.971 1.00 0.00 H new ATOM 1496 N LEU A 102 -10.213 2.726 -6.043 1.00 0.00 N ATOM 1497 CA LEU A 102 -9.160 2.034 -5.304 1.00 0.00 C ATOM 1498 C LEU A 102 -9.719 0.687 -4.821 1.00 0.00 C ATOM 1499 O LEU A 102 -9.206 -0.374 -5.171 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.700 2.917 -4.123 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.220 2.822 -3.730 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -7.014 3.751 -2.527 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.796 1.404 -3.342 1.00 0.00 C ATOM 0 H LEU A 102 -10.367 3.679 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.292 1.848 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.921 3.956 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.301 2.660 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.612 3.107 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.971 3.714 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.273 4.772 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.652 3.428 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.739 1.401 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.387 1.068 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.959 0.732 -4.185 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.808 0.737 -4.046 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.480 -0.440 -3.511 1.00 0.00 C ATOM 1517 C LYS A 103 -11.822 -1.415 -4.636 1.00 0.00 C ATOM 1518 O LYS A 103 -11.493 -2.600 -4.562 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.751 0.010 -2.779 1.00 0.00 C ATOM 1520 CG LYS A 103 -13.406 -1.135 -1.998 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.620 -0.603 -1.228 1.00 0.00 C ATOM 1522 CE LYS A 103 -15.295 -1.732 -0.443 1.00 0.00 C ATOM 1523 NZ LYS A 103 -16.476 -1.240 0.287 1.00 0.00 N ATOM 0 H LYS A 103 -11.250 1.614 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.821 -0.956 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.505 0.821 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.463 0.408 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.714 -1.926 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.688 -1.574 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.307 0.186 -0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.333 -0.159 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.592 -2.527 -1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.584 -2.165 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.913 -2.026 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.187 -0.498 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -17.163 -0.849 -0.388 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.500 -0.899 -5.664 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.913 -1.673 -6.827 1.00 0.00 C ATOM 1539 C ALA A 104 -11.717 -2.391 -7.458 1.00 0.00 C ATOM 1540 O ALA A 104 -11.817 -3.571 -7.787 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.602 -0.760 -7.844 1.00 0.00 C ATOM 0 H ALA A 104 -12.779 0.081 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.623 -2.435 -6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.908 -1.346 -8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.480 -0.303 -7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.910 0.021 -8.160 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.587 -1.697 -7.629 1.00 0.00 N ATOM 1548 CA LEU A 105 -9.382 -2.301 -8.178 1.00 0.00 C ATOM 1549 C LEU A 105 -8.958 -3.472 -7.304 1.00 0.00 C ATOM 1550 O LEU A 105 -8.736 -4.563 -7.824 1.00 0.00 O ATOM 1551 CB LEU A 105 -8.228 -1.292 -8.268 1.00 0.00 C ATOM 1552 CG LEU A 105 -8.356 -0.307 -9.433 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -7.315 0.805 -9.253 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -8.114 -0.997 -10.776 1.00 0.00 C ATOM 0 H LEU A 105 -10.488 -0.710 -7.391 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.611 -2.643 -9.187 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.175 -0.731 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.289 -1.836 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.368 0.099 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.395 1.515 -10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.494 1.322 -8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.316 0.370 -9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.212 -0.270 -11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.110 -1.422 -10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.847 -1.792 -10.914 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.840 -3.264 -5.987 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.428 -4.367 -5.132 1.00 0.00 C ATOM 1568 C VAL A 106 -9.399 -5.535 -5.303 1.00 0.00 C ATOM 1569 O VAL A 106 -8.967 -6.657 -5.535 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.302 -3.957 -3.655 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -7.644 -5.120 -2.902 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.425 -2.714 -3.476 1.00 0.00 C ATOM 0 H VAL A 106 -9.017 -2.379 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.431 -4.678 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.297 -3.726 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.540 -4.859 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.264 -6.011 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.659 -5.317 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.364 -2.461 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.425 -2.916 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.861 -1.879 -4.024 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.702 -5.268 -5.228 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.725 -6.300 -5.362 1.00 0.00 C ATOM 1584 C ALA A 107 -11.534 -7.092 -6.658 1.00 0.00 C ATOM 1585 O ALA A 107 -11.475 -8.318 -6.636 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.117 -5.663 -5.306 1.00 0.00 C ATOM 0 H ALA A 107 -11.076 -4.332 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.629 -7.000 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.876 -6.439 -5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.245 -5.151 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.222 -4.945 -6.120 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.426 -6.380 -7.782 1.00 0.00 N ATOM 1593 CA LYS A 108 -11.221 -6.961 -9.099 1.00 0.00 C ATOM 1594 C LYS A 108 -9.970 -7.837 -9.106 1.00 0.00 C ATOM 1595 O LYS A 108 -10.025 -9.051 -9.298 1.00 0.00 O ATOM 1596 CB LYS A 108 -11.084 -5.804 -10.107 1.00 0.00 C ATOM 1597 CG LYS A 108 -10.794 -6.250 -11.549 1.00 0.00 C ATOM 1598 CD LYS A 108 -10.531 -5.058 -12.480 1.00 0.00 C ATOM 1599 CE LYS A 108 -11.730 -4.110 -12.599 1.00 0.00 C ATOM 1600 NZ LYS A 108 -11.479 -3.060 -13.601 1.00 0.00 N ATOM 0 H LYS A 108 -11.481 -5.362 -7.796 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.065 -7.596 -9.371 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -12.004 -5.220 -10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -10.283 -5.143 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.929 -6.913 -11.556 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.639 -6.825 -11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.670 -4.500 -12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -10.270 -5.430 -13.471 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -12.619 -4.676 -12.876 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.933 -3.652 -11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -12.306 -2.433 -13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.644 -2.506 -13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -11.309 -3.499 -14.529 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.825 -7.193 -8.907 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.530 -7.842 -9.025 1.00 0.00 C ATOM 1616 C HIS A 109 -7.327 -8.939 -7.974 1.00 0.00 C ATOM 1617 O HIS A 109 -6.552 -9.863 -8.208 1.00 0.00 O ATOM 1618 CB HIS A 109 -6.433 -6.776 -8.998 1.00 0.00 C ATOM 1619 CG HIS A 109 -6.407 -5.946 -10.260 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.615 -6.329 -11.338 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -7.090 -4.805 -10.599 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.853 -5.412 -12.278 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -6.724 -4.469 -11.886 1.00 0.00 N ATOM 0 H HIS A 109 -8.772 -6.205 -8.659 1.00 0.00 H new ATOM 0 HA HIS A 109 -7.479 -8.363 -9.981 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.586 -6.122 -8.139 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.465 -7.258 -8.863 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.787 -4.268 -9.973 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -5.392 -5.427 -13.254 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -7.049 -3.668 -12.428 1.00 0.00 H new ATOM 1631 N ALA A 110 -8.019 -8.877 -6.832 1.00 0.00 N ATOM 1632 CA ALA A 110 -7.929 -9.903 -5.796 1.00 0.00 C ATOM 1633 C ALA A 110 -8.793 -11.123 -6.120 1.00 0.00 C ATOM 1634 O ALA A 110 -8.852 -12.041 -5.307 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.344 -9.315 -4.444 1.00 0.00 C ATOM 0 H ALA A 110 -8.656 -8.114 -6.603 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.892 -10.237 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.275 -10.085 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.682 -8.487 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.371 -8.954 -4.504 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.469 -11.178 -7.275 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.294 -12.329 -7.626 1.00 0.00 C ATOM 1643 C ALA A 111 -9.436 -13.507 -8.120 1.00 0.00 C ATOM 1644 O ALA A 111 -9.741 -14.095 -9.156 1.00 0.00 O ATOM 1645 CB ALA A 111 -11.317 -11.897 -8.683 1.00 0.00 C ATOM 0 H ALA A 111 -9.458 -10.438 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.820 -12.681 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -11.941 -12.748 -8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.944 -11.102 -8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.795 -11.533 -9.568 1.00 0.00 H new ATOM 1651 N ALA A 112 -8.376 -13.864 -7.388 1.00 0.00 N ATOM 1652 CA ALA A 112 -7.470 -14.960 -7.693 1.00 0.00 C ATOM 1653 C ALA A 112 -6.584 -15.178 -6.466 1.00 0.00 C ATOM 1654 O ALA A 112 -6.266 -14.159 -5.816 1.00 0.00 O ATOM 1655 CB ALA A 112 -6.616 -14.622 -8.919 1.00 0.00 C ATOM 1656 OXT ALA A 112 -6.247 -16.349 -6.183 1.00 0.00 O ATOM 0 H ALA A 112 -8.121 -13.372 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.030 -15.866 -7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.943 -15.452 -9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.265 -14.449 -9.778 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.031 -13.724 -8.719 1.00 0.00 H new TER 1662 ALA A 112