USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 824 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 86 LYS NZ :NH3+ -167:sc= 0.674 (180deg=-1.02) USER MOD Set 1.2: A 109 HIS : no HD1:sc= 1.58 K(o=2.3,f=-11!) USER MOD Set 2.1: A 83 HIS : no HD1:sc= 0.442 K(o=1.7,f=-5.8!) USER MOD Set 2.2: A 85 TYR OH : rot -13:sc= 1.29 USER MOD Set 3.1: A 50 SER OG : rot 60:sc= 1.26 USER MOD Set 3.2: A 61 LYS NZ :NH3+ -176:sc= 0.474 (180deg=0.389) USER MOD Single : A 3 SER OG : rot 32:sc= 0.397 USER MOD Single : A 9 SER OG : rot 11:sc= 0.661 USER MOD Single : A 10 LYS NZ :NH3+ 156:sc= 0.474 (180deg=0.0496) USER MOD Single : A 16 GLN : amide:sc= 1 K(o=1,f=-0.37) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -0.0523 (180deg=-0.295) USER MOD Single : A 24 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.18) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0.739 (180deg=0.711) USER MOD Single : A 32 THR OG1 : rot -170:sc= 0.859 USER MOD Single : A 34 THR OG1 : rot -98:sc= 1.56 USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0712) USER MOD Single : A 41 MET CE :methyl 173:sc= 0 (180deg=-0.0606) USER MOD Single : A 48 THR OG1 : rot 79:sc= 0.581 USER MOD Single : A 51 ASN : amide:sc= 0.856 K(o=0.86,f=-0.00062) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= -0.317 (180deg=-1.53) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.442 USER MOD Single : A 79 MET CE :methyl 175:sc= 0 (180deg=-0.0377) USER MOD Single : A 81 THR OG1 : rot 19:sc= 0.822 USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= 0.905 (180deg=0.497) USER MOD Single : A 98 SER OG : rot 151:sc= 1.19 USER MOD Single : A 99 GLN : amide:sc= 0.743 K(o=0.74,f=-1.5) USER MOD Single : A 101 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0368) USER MOD Single : A 103 LYS NZ :NH3+ 172:sc=-0.00303 (180deg=-0.0844) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 -0.445 -8.777 5.629 1.00 0.00 N ATOM 18 CA SER A 3 0.540 -7.985 4.904 1.00 0.00 C ATOM 19 C SER A 3 -0.082 -6.656 4.448 1.00 0.00 C ATOM 20 O SER A 3 -0.399 -6.496 3.268 1.00 0.00 O ATOM 21 CB SER A 3 1.029 -8.818 3.714 1.00 0.00 C ATOM 22 OG SER A 3 1.311 -10.137 4.147 1.00 0.00 O ATOM 0 HA SER A 3 1.387 -7.738 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.270 -8.835 2.932 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.922 -8.366 3.282 1.00 0.00 H new ATOM 0 HG SER A 3 0.701 -10.380 4.874 1.00 0.00 H new ATOM 28 N VAL A 4 -0.287 -5.730 5.393 1.00 0.00 N ATOM 29 CA VAL A 4 -0.937 -4.448 5.183 1.00 0.00 C ATOM 30 C VAL A 4 -0.169 -3.294 5.838 1.00 0.00 C ATOM 31 O VAL A 4 -0.762 -2.290 6.228 1.00 0.00 O ATOM 32 CB VAL A 4 -2.355 -4.566 5.762 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.151 -5.720 5.138 1.00 0.00 C ATOM 34 CG2 VAL A 4 -2.428 -4.711 7.282 1.00 0.00 C ATOM 0 H VAL A 4 0.010 -5.867 6.359 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.965 -4.216 4.118 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.799 -3.606 5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.145 -5.758 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.240 -5.561 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.634 -6.661 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.471 -4.787 7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.893 -5.610 7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.973 -3.840 7.753 1.00 0.00 H new ATOM 44 N ILE A 5 1.148 -3.426 5.947 1.00 0.00 N ATOM 45 CA ILE A 5 1.972 -2.479 6.688 1.00 0.00 C ATOM 46 C ILE A 5 2.268 -1.193 5.905 1.00 0.00 C ATOM 47 O ILE A 5 2.137 -1.124 4.679 1.00 0.00 O ATOM 48 CB ILE A 5 3.272 -3.170 7.149 1.00 0.00 C ATOM 49 CG1 ILE A 5 4.200 -3.582 5.988 1.00 0.00 C ATOM 50 CG2 ILE A 5 2.918 -4.419 7.974 1.00 0.00 C ATOM 51 CD1 ILE A 5 5.249 -2.514 5.657 1.00 0.00 C ATOM 0 H ILE A 5 1.674 -4.191 5.525 1.00 0.00 H new ATOM 0 HA ILE A 5 1.401 -2.164 7.562 1.00 0.00 H new ATOM 0 HB ILE A 5 3.818 -2.439 7.746 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.705 -4.513 6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.598 -3.781 5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.834 -4.910 8.302 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.332 -4.126 8.845 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.337 -5.107 7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.873 -2.860 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.749 -1.589 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.873 -2.333 6.532 1.00 0.00 H new ATOM 63 N VAL A 6 2.681 -0.172 6.664 1.00 0.00 N ATOM 64 CA VAL A 6 3.098 1.138 6.200 1.00 0.00 C ATOM 65 C VAL A 6 4.563 1.299 6.568 1.00 0.00 C ATOM 66 O VAL A 6 4.950 0.932 7.678 1.00 0.00 O ATOM 67 CB VAL A 6 2.207 2.243 6.805 1.00 0.00 C ATOM 68 CG1 VAL A 6 2.065 2.156 8.333 1.00 0.00 C ATOM 69 CG2 VAL A 6 2.720 3.639 6.430 1.00 0.00 C ATOM 0 H VAL A 6 2.733 -0.252 7.679 1.00 0.00 H new ATOM 0 HA VAL A 6 2.985 1.229 5.120 1.00 0.00 H new ATOM 0 HB VAL A 6 1.220 2.077 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.425 2.965 8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.621 1.198 8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.048 2.244 8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.071 4.396 6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.735 3.767 6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.719 3.748 5.345 1.00 0.00 H new ATOM 79 N ILE A 7 5.384 1.806 5.643 1.00 0.00 N ATOM 80 CA ILE A 7 6.804 1.960 5.895 1.00 0.00 C ATOM 81 C ILE A 7 7.416 2.978 4.929 1.00 0.00 C ATOM 82 O ILE A 7 6.789 3.420 3.963 1.00 0.00 O ATOM 83 CB ILE A 7 7.471 0.568 5.840 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.859 0.572 6.508 1.00 0.00 C ATOM 85 CG2 ILE A 7 7.540 0.053 4.394 1.00 0.00 C ATOM 86 CD1 ILE A 7 9.054 -0.674 7.375 1.00 0.00 C ATOM 0 H ILE A 7 5.082 2.113 4.718 1.00 0.00 H new ATOM 0 HA ILE A 7 6.979 2.366 6.891 1.00 0.00 H new ATOM 0 HB ILE A 7 6.848 -0.121 6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.635 0.612 5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.969 1.467 7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.013 -0.929 4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.532 -0.024 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.124 0.746 3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.042 -0.646 7.835 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.292 -0.698 8.154 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.968 -1.566 6.755 1.00 0.00 H new ATOM 98 N ASP A 8 8.657 3.355 5.222 1.00 0.00 N ATOM 99 CA ASP A 8 9.430 4.381 4.554 1.00 0.00 C ATOM 100 C ASP A 8 10.836 3.864 4.226 1.00 0.00 C ATOM 101 O ASP A 8 11.826 4.545 4.478 1.00 0.00 O ATOM 102 CB ASP A 8 9.486 5.582 5.518 1.00 0.00 C ATOM 103 CG ASP A 8 10.232 5.292 6.825 1.00 0.00 C ATOM 104 OD1 ASP A 8 10.200 4.120 7.268 1.00 0.00 O ATOM 105 OD2 ASP A 8 10.806 6.258 7.372 1.00 0.00 O ATOM 0 H ASP A 8 9.178 2.919 5.983 1.00 0.00 H new ATOM 0 HA ASP A 8 8.975 4.670 3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.969 6.419 5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.469 5.895 5.753 1.00 0.00 H new ATOM 110 N SER A 9 10.955 2.647 3.681 1.00 0.00 N ATOM 111 CA SER A 9 12.253 2.067 3.345 1.00 0.00 C ATOM 112 C SER A 9 12.128 1.034 2.222 1.00 0.00 C ATOM 113 O SER A 9 11.354 0.082 2.334 1.00 0.00 O ATOM 114 CB SER A 9 12.859 1.418 4.595 1.00 0.00 C ATOM 115 OG SER A 9 13.290 2.405 5.514 1.00 0.00 O ATOM 0 H SER A 9 10.161 2.045 3.464 1.00 0.00 H new ATOM 0 HA SER A 9 12.907 2.864 2.991 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.121 0.771 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.701 0.787 4.311 1.00 0.00 H new ATOM 0 HG SER A 9 12.954 3.282 5.234 1.00 0.00 H new ATOM 121 N LYS A 10 12.931 1.202 1.163 1.00 0.00 N ATOM 122 CA LYS A 10 12.995 0.295 0.021 1.00 0.00 C ATOM 123 C LYS A 10 13.133 -1.147 0.499 1.00 0.00 C ATOM 124 O LYS A 10 12.409 -2.037 0.069 1.00 0.00 O ATOM 125 CB LYS A 10 14.209 0.651 -0.844 1.00 0.00 C ATOM 126 CG LYS A 10 14.323 -0.303 -2.040 1.00 0.00 C ATOM 127 CD LYS A 10 15.351 0.174 -3.071 1.00 0.00 C ATOM 128 CE LYS A 10 15.735 -0.966 -4.026 1.00 0.00 C ATOM 129 NZ LYS A 10 14.557 -1.671 -4.565 1.00 0.00 N ATOM 0 H LYS A 10 13.568 1.994 1.080 1.00 0.00 H new ATOM 0 HA LYS A 10 12.078 0.395 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.120 1.678 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.117 0.599 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.602 -1.295 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.349 -0.398 -2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.942 1.009 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.241 0.542 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.322 -0.563 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.371 -1.678 -3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.807 -2.125 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.245 -2.395 -3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 13.787 -0.990 -4.722 1.00 0.00 H new ATOM 143 N ALA A 11 14.092 -1.359 1.395 1.00 0.00 N ATOM 144 CA ALA A 11 14.377 -2.673 1.962 1.00 0.00 C ATOM 145 C ALA A 11 13.081 -3.368 2.400 1.00 0.00 C ATOM 146 O ALA A 11 12.833 -4.525 2.057 1.00 0.00 O ATOM 147 CB ALA A 11 15.337 -2.517 3.144 1.00 0.00 C ATOM 0 H ALA A 11 14.697 -0.619 1.750 1.00 0.00 H new ATOM 0 HA ALA A 11 14.846 -3.297 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.552 -3.497 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.265 -2.059 2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.879 -1.884 3.904 1.00 0.00 H new ATOM 153 N ALA A 12 12.239 -2.639 3.136 1.00 0.00 N ATOM 154 CA ALA A 12 10.970 -3.161 3.606 1.00 0.00 C ATOM 155 C ALA A 12 10.019 -3.374 2.429 1.00 0.00 C ATOM 156 O ALA A 12 9.306 -4.373 2.407 1.00 0.00 O ATOM 157 CB ALA A 12 10.368 -2.211 4.634 1.00 0.00 C ATOM 0 H ALA A 12 12.423 -1.676 3.418 1.00 0.00 H new ATOM 0 HA ALA A 12 11.133 -4.126 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.415 -2.609 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.050 -2.109 5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.208 -1.234 4.177 1.00 0.00 H new ATOM 163 N TRP A 13 9.988 -2.444 1.467 1.00 0.00 N ATOM 164 CA TRP A 13 9.180 -2.590 0.256 1.00 0.00 C ATOM 165 C TRP A 13 9.484 -3.954 -0.383 1.00 0.00 C ATOM 166 O TRP A 13 8.571 -4.747 -0.611 1.00 0.00 O ATOM 167 CB TRP A 13 9.420 -1.390 -0.695 1.00 0.00 C ATOM 168 CG TRP A 13 9.668 -1.649 -2.161 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.833 -2.079 -2.695 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.807 -1.391 -3.312 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.730 -2.218 -4.056 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.515 -1.754 -4.499 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.513 -0.856 -3.486 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.974 -1.595 -5.780 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.995 -0.613 -4.771 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.725 -0.973 -5.917 1.00 0.00 C ATOM 0 H TRP A 13 10.520 -1.575 1.508 1.00 0.00 H new ATOM 0 HA TRP A 13 8.116 -2.574 0.493 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.553 -0.734 -0.620 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.275 -0.833 -0.311 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.727 -2.286 -2.125 1.00 0.00 H new ATOM 0 HE1 TRP A 13 11.455 -2.611 -4.656 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.911 -0.629 -2.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 9.510 -1.946 -6.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.027 -0.145 -4.878 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.325 -0.771 -6.900 1.00 0.00 H new ATOM 187 N ASP A 14 10.768 -4.251 -0.610 1.00 0.00 N ATOM 188 CA ASP A 14 11.192 -5.496 -1.240 1.00 0.00 C ATOM 189 C ASP A 14 10.814 -6.685 -0.363 1.00 0.00 C ATOM 190 O ASP A 14 10.262 -7.670 -0.852 1.00 0.00 O ATOM 191 CB ASP A 14 12.704 -5.489 -1.515 1.00 0.00 C ATOM 192 CG ASP A 14 13.112 -4.517 -2.619 1.00 0.00 C ATOM 193 OD1 ASP A 14 12.547 -4.627 -3.729 1.00 0.00 O ATOM 194 OD2 ASP A 14 13.982 -3.662 -2.340 1.00 0.00 O ATOM 0 H ASP A 14 11.539 -3.632 -0.360 1.00 0.00 H new ATOM 0 HA ASP A 14 10.678 -5.587 -2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.232 -5.229 -0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.021 -6.495 -1.791 1.00 0.00 H new ATOM 199 N ALA A 15 11.114 -6.592 0.936 1.00 0.00 N ATOM 200 CA ALA A 15 10.800 -7.649 1.889 1.00 0.00 C ATOM 201 C ALA A 15 9.321 -8.027 1.793 1.00 0.00 C ATOM 202 O ALA A 15 8.992 -9.200 1.630 1.00 0.00 O ATOM 203 CB ALA A 15 11.165 -7.207 3.309 1.00 0.00 C ATOM 0 H ALA A 15 11.579 -5.784 1.350 1.00 0.00 H new ATOM 0 HA ALA A 15 11.391 -8.532 1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.926 -8.005 4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.232 -6.987 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.598 -6.313 3.569 1.00 0.00 H new ATOM 209 N GLN A 16 8.444 -7.024 1.875 1.00 0.00 N ATOM 210 CA GLN A 16 6.999 -7.190 1.761 1.00 0.00 C ATOM 211 C GLN A 16 6.666 -7.846 0.420 1.00 0.00 C ATOM 212 O GLN A 16 5.946 -8.843 0.391 1.00 0.00 O ATOM 213 CB GLN A 16 6.288 -5.835 1.903 1.00 0.00 C ATOM 214 CG GLN A 16 5.631 -5.639 3.276 1.00 0.00 C ATOM 215 CD GLN A 16 6.545 -5.890 4.474 1.00 0.00 C ATOM 216 OE1 GLN A 16 6.163 -6.580 5.411 1.00 0.00 O ATOM 217 NE2 GLN A 16 7.753 -5.341 4.477 1.00 0.00 N ATOM 0 H GLN A 16 8.727 -6.056 2.026 1.00 0.00 H new ATOM 0 HA GLN A 16 6.646 -7.835 2.565 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.008 -5.034 1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.527 -5.748 1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.250 -4.620 3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.772 -6.305 3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.055 -4.769 3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.379 -5.491 5.268 1.00 0.00 H new ATOM 226 N LEU A 17 7.190 -7.289 -0.677 1.00 0.00 N ATOM 227 CA LEU A 17 6.974 -7.811 -2.025 1.00 0.00 C ATOM 228 C LEU A 17 7.224 -9.323 -2.041 1.00 0.00 C ATOM 229 O LEU A 17 6.378 -10.095 -2.489 1.00 0.00 O ATOM 230 CB LEU A 17 7.888 -7.056 -3.013 1.00 0.00 C ATOM 231 CG LEU A 17 7.299 -6.884 -4.423 1.00 0.00 C ATOM 232 CD1 LEU A 17 8.146 -5.869 -5.202 1.00 0.00 C ATOM 233 CD2 LEU A 17 7.267 -8.203 -5.198 1.00 0.00 C ATOM 0 H LEU A 17 7.780 -6.457 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 17 5.942 -7.651 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.109 -6.071 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.836 -7.589 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 17 6.273 -6.533 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.733 -5.743 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.136 -4.911 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.171 -6.231 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.843 -8.033 -6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.281 -8.590 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.654 -8.926 -4.660 1.00 0.00 H new ATOM 245 N ALA A 18 8.368 -9.747 -1.498 1.00 0.00 N ATOM 246 CA ALA A 18 8.747 -11.150 -1.449 1.00 0.00 C ATOM 247 C ALA A 18 7.829 -11.970 -0.532 1.00 0.00 C ATOM 248 O ALA A 18 7.143 -12.884 -0.996 1.00 0.00 O ATOM 249 CB ALA A 18 10.206 -11.243 -0.999 1.00 0.00 C ATOM 0 H ALA A 18 9.056 -9.120 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 18 8.637 -11.579 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.508 -12.290 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.840 -10.711 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.311 -10.795 -0.011 1.00 0.00 H new ATOM 255 N LYS A 19 7.792 -11.656 0.769 1.00 0.00 N ATOM 256 CA LYS A 19 7.032 -12.439 1.742 1.00 0.00 C ATOM 257 C LYS A 19 5.526 -12.410 1.462 1.00 0.00 C ATOM 258 O LYS A 19 4.789 -13.225 2.010 1.00 0.00 O ATOM 259 CB LYS A 19 7.355 -11.961 3.163 1.00 0.00 C ATOM 260 CG LYS A 19 6.749 -10.586 3.448 1.00 0.00 C ATOM 261 CD LYS A 19 7.349 -9.924 4.693 1.00 0.00 C ATOM 262 CE LYS A 19 7.059 -10.722 5.968 1.00 0.00 C ATOM 263 NZ LYS A 19 7.511 -9.990 7.165 1.00 0.00 N ATOM 0 H LYS A 19 8.285 -10.858 1.171 1.00 0.00 H new ATOM 0 HA LYS A 19 7.336 -13.482 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.975 -12.683 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.436 -11.917 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.906 -9.938 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.672 -10.688 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.427 -9.824 4.566 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.946 -8.917 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.990 -10.921 6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.560 -11.689 5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.303 -10.552 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.536 -9.822 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.014 -9.078 7.223 1.00 0.00 H new ATOM 277 N GLY A 20 5.065 -11.479 0.618 1.00 0.00 N ATOM 278 CA GLY A 20 3.685 -11.392 0.190 1.00 0.00 C ATOM 279 C GLY A 20 3.262 -12.637 -0.591 1.00 0.00 C ATOM 280 O GLY A 20 2.068 -12.871 -0.739 1.00 0.00 O ATOM 0 H GLY A 20 5.661 -10.757 0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.040 -11.270 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.551 -10.507 -0.433 1.00 0.00 H new ATOM 284 N LYS A 21 4.233 -13.432 -1.067 1.00 0.00 N ATOM 285 CA LYS A 21 4.037 -14.671 -1.809 1.00 0.00 C ATOM 286 C LYS A 21 3.639 -14.316 -3.236 1.00 0.00 C ATOM 287 O LYS A 21 2.463 -14.257 -3.595 1.00 0.00 O ATOM 288 CB LYS A 21 3.049 -15.632 -1.121 1.00 0.00 C ATOM 289 CG LYS A 21 3.470 -15.870 0.334 1.00 0.00 C ATOM 290 CD LYS A 21 2.512 -16.818 1.062 1.00 0.00 C ATOM 291 CE LYS A 21 2.957 -17.021 2.517 1.00 0.00 C ATOM 292 NZ LYS A 21 2.978 -15.754 3.275 1.00 0.00 N ATOM 0 H LYS A 21 5.220 -13.211 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 21 4.972 -15.230 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.043 -15.215 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.018 -16.580 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.477 -16.285 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.507 -14.917 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.501 -16.411 1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.481 -17.779 0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.283 -17.724 3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.951 -17.468 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.050 -15.959 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.797 -15.185 2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.103 -15.224 3.089 1.00 0.00 H new ATOM 306 N GLU A 22 4.668 -14.066 -4.045 1.00 0.00 N ATOM 307 CA GLU A 22 4.599 -13.732 -5.455 1.00 0.00 C ATOM 308 C GLU A 22 4.167 -14.956 -6.268 1.00 0.00 C ATOM 309 O GLU A 22 4.947 -15.515 -7.034 1.00 0.00 O ATOM 310 CB GLU A 22 5.974 -13.232 -5.917 1.00 0.00 C ATOM 311 CG GLU A 22 6.442 -11.991 -5.149 1.00 0.00 C ATOM 312 CD GLU A 22 7.746 -11.453 -5.726 1.00 0.00 C ATOM 313 OE1 GLU A 22 7.689 -10.901 -6.846 1.00 0.00 O ATOM 314 OE2 GLU A 22 8.781 -11.607 -5.042 1.00 0.00 O ATOM 0 H GLU A 22 5.629 -14.095 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 22 3.860 -12.946 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.707 -14.029 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.933 -13.001 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.674 -11.219 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.581 -12.240 -4.097 1.00 0.00 H new ATOM 321 N GLU A 23 2.926 -15.388 -6.046 1.00 0.00 N ATOM 322 CA GLU A 23 2.309 -16.496 -6.763 1.00 0.00 C ATOM 323 C GLU A 23 1.506 -15.926 -7.936 1.00 0.00 C ATOM 324 O GLU A 23 1.779 -16.237 -9.093 1.00 0.00 O ATOM 325 CB GLU A 23 1.421 -17.334 -5.822 1.00 0.00 C ATOM 326 CG GLU A 23 2.058 -17.639 -4.458 1.00 0.00 C ATOM 327 CD GLU A 23 3.503 -18.121 -4.557 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.706 -19.180 -5.188 1.00 0.00 O ATOM 329 OE2 GLU A 23 4.374 -17.424 -3.991 1.00 0.00 O ATOM 0 H GLU A 23 2.312 -14.967 -5.349 1.00 0.00 H new ATOM 0 HA GLU A 23 3.079 -17.166 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.482 -16.805 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.177 -18.275 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.024 -16.741 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.464 -18.398 -3.950 1.00 0.00 H new ATOM 336 N HIS A 24 0.502 -15.097 -7.626 1.00 0.00 N ATOM 337 CA HIS A 24 -0.385 -14.490 -8.620 1.00 0.00 C ATOM 338 C HIS A 24 -1.257 -13.370 -8.053 1.00 0.00 C ATOM 339 O HIS A 24 -2.158 -12.873 -8.726 1.00 0.00 O ATOM 340 CB HIS A 24 -1.321 -15.577 -9.175 1.00 0.00 C ATOM 341 CG HIS A 24 -2.293 -16.063 -8.124 1.00 0.00 C ATOM 342 ND1 HIS A 24 -1.916 -16.995 -7.155 1.00 0.00 N ATOM 343 CD2 HIS A 24 -3.556 -15.615 -7.833 1.00 0.00 C ATOM 344 CE1 HIS A 24 -2.972 -17.089 -6.340 1.00 0.00 C ATOM 345 NE2 HIS A 24 -3.972 -16.270 -6.694 1.00 0.00 N ATOM 0 H HIS A 24 0.282 -14.827 -6.667 1.00 0.00 H new ATOM 0 HA HIS A 24 0.255 -14.056 -9.389 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.873 -15.182 -10.028 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.729 -16.416 -9.540 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.120 -14.884 -8.393 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.014 -17.753 -5.489 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.865 -16.154 -6.215 1.00 0.00 H new ATOM 353 N LYS A 25 -1.000 -12.975 -6.812 1.00 0.00 N ATOM 354 CA LYS A 25 -1.884 -12.075 -6.087 1.00 0.00 C ATOM 355 C LYS A 25 -1.586 -10.605 -6.375 1.00 0.00 C ATOM 356 O LYS A 25 -0.449 -10.260 -6.701 1.00 0.00 O ATOM 357 CB LYS A 25 -1.743 -12.321 -4.585 1.00 0.00 C ATOM 358 CG LYS A 25 -2.271 -13.709 -4.220 1.00 0.00 C ATOM 359 CD LYS A 25 -2.045 -13.959 -2.730 1.00 0.00 C ATOM 360 CE LYS A 25 -2.809 -15.213 -2.311 1.00 0.00 C ATOM 361 NZ LYS A 25 -2.554 -15.532 -0.897 1.00 0.00 N ATOM 0 H LYS A 25 -0.178 -13.268 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.900 -12.283 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.697 -12.235 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.292 -11.559 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.333 -13.780 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.762 -14.471 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.981 -14.082 -2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.384 -13.101 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.877 -15.063 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.510 -16.053 -2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.172 -16.314 -0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.559 -15.812 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.750 -14.695 -0.311 1.00 0.00 H new ATOM 375 N PRO A 26 -2.594 -9.729 -6.250 1.00 0.00 N ATOM 376 CA PRO A 26 -2.420 -8.290 -6.364 1.00 0.00 C ATOM 377 C PRO A 26 -1.560 -7.741 -5.221 1.00 0.00 C ATOM 378 O PRO A 26 -1.954 -7.812 -4.055 1.00 0.00 O ATOM 379 CB PRO A 26 -3.834 -7.702 -6.340 1.00 0.00 C ATOM 380 CG PRO A 26 -4.628 -8.760 -5.583 1.00 0.00 C ATOM 381 CD PRO A 26 -4.002 -10.059 -6.066 1.00 0.00 C ATOM 0 HA PRO A 26 -1.895 -8.020 -7.280 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.862 -6.737 -5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.224 -7.546 -7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.533 -8.642 -4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.692 -8.712 -5.817 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.132 -10.859 -5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.457 -10.399 -6.997 1.00 0.00 H new ATOM 389 N ILE A 27 -0.387 -7.194 -5.561 1.00 0.00 N ATOM 390 CA ILE A 27 0.465 -6.483 -4.621 1.00 0.00 C ATOM 391 C ILE A 27 0.139 -5.008 -4.848 1.00 0.00 C ATOM 392 O ILE A 27 0.696 -4.366 -5.743 1.00 0.00 O ATOM 393 CB ILE A 27 1.952 -6.822 -4.828 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.154 -8.350 -4.793 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.783 -6.129 -3.737 1.00 0.00 C ATOM 396 CD1 ILE A 27 3.624 -8.773 -4.853 1.00 0.00 C ATOM 0 H ILE A 27 -0.006 -7.237 -6.506 1.00 0.00 H new ATOM 0 HA ILE A 27 0.279 -6.769 -3.586 1.00 0.00 H new ATOM 0 HB ILE A 27 2.283 -6.463 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.707 -8.747 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.621 -8.798 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.838 -6.365 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.641 -5.050 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.461 -6.479 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.691 -9.861 -4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.071 -8.406 -5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.158 -8.354 -4.000 1.00 0.00 H new ATOM 408 N VAL A 28 -0.820 -4.495 -4.078 1.00 0.00 N ATOM 409 CA VAL A 28 -1.320 -3.139 -4.206 1.00 0.00 C ATOM 410 C VAL A 28 -0.453 -2.226 -3.345 1.00 0.00 C ATOM 411 O VAL A 28 -0.511 -2.284 -2.117 1.00 0.00 O ATOM 412 CB VAL A 28 -2.797 -3.070 -3.785 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.374 -1.696 -4.151 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.631 -4.150 -4.484 1.00 0.00 C ATOM 0 H VAL A 28 -1.276 -5.026 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.267 -2.813 -5.245 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.842 -3.232 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.421 -1.650 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.814 -0.917 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.297 -1.544 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.670 -4.072 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.573 -4.012 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.244 -5.135 -4.223 1.00 0.00 H new ATOM 424 N VAL A 29 0.355 -1.378 -3.978 1.00 0.00 N ATOM 425 CA VAL A 29 1.200 -0.439 -3.261 1.00 0.00 C ATOM 426 C VAL A 29 0.722 0.991 -3.489 1.00 0.00 C ATOM 427 O VAL A 29 0.559 1.430 -4.626 1.00 0.00 O ATOM 428 CB VAL A 29 2.680 -0.629 -3.613 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.027 -0.540 -5.092 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.504 0.409 -2.839 1.00 0.00 C ATOM 0 H VAL A 29 0.439 -1.326 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 29 1.114 -0.644 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 29 2.919 -1.654 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.099 -0.689 -5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.483 -1.309 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.748 0.443 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.560 0.287 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.182 1.412 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.356 0.266 -1.769 1.00 0.00 H new ATOM 440 N ASP A 30 0.487 1.702 -2.385 1.00 0.00 N ATOM 441 CA ASP A 30 0.124 3.102 -2.354 1.00 0.00 C ATOM 442 C ASP A 30 1.398 3.903 -2.135 1.00 0.00 C ATOM 443 O ASP A 30 1.954 3.907 -1.033 1.00 0.00 O ATOM 444 CB ASP A 30 -0.863 3.375 -1.219 1.00 0.00 C ATOM 445 CG ASP A 30 -1.217 4.852 -1.080 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.901 5.617 -2.016 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.793 5.193 -0.023 1.00 0.00 O ATOM 0 H ASP A 30 0.550 1.292 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.356 3.386 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.775 2.803 -1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.437 3.019 -0.281 1.00 0.00 H new ATOM 452 N PHE A 31 1.865 4.546 -3.199 1.00 0.00 N ATOM 453 CA PHE A 31 2.980 5.462 -3.141 1.00 0.00 C ATOM 454 C PHE A 31 2.386 6.817 -2.766 1.00 0.00 C ATOM 455 O PHE A 31 1.876 7.514 -3.644 1.00 0.00 O ATOM 456 CB PHE A 31 3.659 5.515 -4.510 1.00 0.00 C ATOM 457 CG PHE A 31 4.505 4.309 -4.860 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.868 4.297 -4.511 1.00 0.00 C ATOM 459 CD2 PHE A 31 4.003 3.341 -5.750 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.749 3.406 -5.145 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.885 2.440 -6.370 1.00 0.00 C ATOM 462 CZ PHE A 31 6.265 2.514 -6.118 1.00 0.00 C ATOM 0 H PHE A 31 1.470 4.439 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 31 3.735 5.159 -2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.891 5.633 -5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.288 6.404 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.237 4.974 -3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.944 3.291 -5.956 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.797 3.406 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.501 1.688 -7.043 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.951 1.888 -6.669 1.00 0.00 H new ATOM 472 N THR A 32 2.430 7.180 -1.480 1.00 0.00 N ATOM 473 CA THR A 32 1.895 8.447 -0.989 1.00 0.00 C ATOM 474 C THR A 32 3.036 9.271 -0.396 1.00 0.00 C ATOM 475 O THR A 32 3.935 8.724 0.236 1.00 0.00 O ATOM 476 CB THR A 32 0.770 8.194 0.028 1.00 0.00 C ATOM 477 OG1 THR A 32 0.195 9.436 0.379 1.00 0.00 O ATOM 478 CG2 THR A 32 1.260 7.506 1.304 1.00 0.00 C ATOM 0 H THR A 32 2.840 6.598 -0.750 1.00 0.00 H new ATOM 0 HA THR A 32 1.456 9.014 -1.810 1.00 0.00 H new ATOM 0 HB THR A 32 0.047 7.528 -0.444 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.407 9.314 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.420 7.355 1.982 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.700 6.541 1.051 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.010 8.131 1.789 1.00 0.00 H new ATOM 486 N ALA A 33 3.017 10.590 -0.588 1.00 0.00 N ATOM 487 CA ALA A 33 4.023 11.497 -0.041 1.00 0.00 C ATOM 488 C ALA A 33 3.461 12.112 1.240 1.00 0.00 C ATOM 489 O ALA A 33 3.362 13.330 1.361 1.00 0.00 O ATOM 490 CB ALA A 33 4.418 12.542 -1.092 1.00 0.00 C ATOM 0 H ALA A 33 2.296 11.062 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 33 4.940 10.966 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.168 13.213 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.828 12.040 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.538 13.117 -1.382 1.00 0.00 H new ATOM 496 N THR A 34 3.086 11.218 2.165 1.00 0.00 N ATOM 497 CA THR A 34 2.510 11.438 3.492 1.00 0.00 C ATOM 498 C THR A 34 2.158 12.897 3.802 1.00 0.00 C ATOM 499 O THR A 34 0.987 13.263 3.837 1.00 0.00 O ATOM 500 CB THR A 34 3.494 10.900 4.544 1.00 0.00 C ATOM 501 OG1 THR A 34 4.790 11.416 4.295 1.00 0.00 O ATOM 502 CG2 THR A 34 3.538 9.367 4.528 1.00 0.00 C ATOM 0 H THR A 34 3.191 10.221 1.979 1.00 0.00 H new ATOM 0 HA THR A 34 1.560 10.904 3.516 1.00 0.00 H new ATOM 0 HB THR A 34 3.151 11.223 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.319 10.751 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.242 9.015 5.282 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.546 8.972 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.858 9.022 3.545 1.00 0.00 H new ATOM 510 N TRP A 35 3.183 13.709 4.061 1.00 0.00 N ATOM 511 CA TRP A 35 3.098 15.116 4.421 1.00 0.00 C ATOM 512 C TRP A 35 2.099 15.942 3.593 1.00 0.00 C ATOM 513 O TRP A 35 1.592 16.932 4.120 1.00 0.00 O ATOM 514 CB TRP A 35 4.501 15.730 4.351 1.00 0.00 C ATOM 515 CG TRP A 35 5.210 15.663 3.030 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.198 14.796 2.714 1.00 0.00 C ATOM 517 CD2 TRP A 35 5.048 16.521 1.857 1.00 0.00 C ATOM 518 NE1 TRP A 35 6.676 15.069 1.450 1.00 0.00 N ATOM 519 CE2 TRP A 35 5.982 16.104 0.863 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.236 17.633 1.543 1.00 0.00 C ATOM 521 CZ2 TRP A 35 6.087 16.738 -0.384 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.324 18.268 0.290 1.00 0.00 C ATOM 523 CH2 TRP A 35 5.240 17.818 -0.675 1.00 0.00 C ATOM 0 H TRP A 35 4.147 13.379 4.022 1.00 0.00 H new ATOM 0 HA TRP A 35 2.702 15.152 5.436 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.427 16.778 4.643 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.125 15.235 5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.559 14.007 3.356 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.446 14.568 1.006 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.535 18.003 2.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.811 16.399 -1.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.682 19.108 0.069 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.292 18.302 -1.639 1.00 0.00 H new ATOM 534 N CYS A 36 1.810 15.606 2.326 1.00 0.00 N ATOM 535 CA CYS A 36 0.868 16.394 1.519 1.00 0.00 C ATOM 536 C CYS A 36 -0.590 16.179 1.955 1.00 0.00 C ATOM 537 O CYS A 36 -1.396 15.637 1.206 1.00 0.00 O ATOM 538 CB CYS A 36 1.068 16.176 0.003 1.00 0.00 C ATOM 539 SG CYS A 36 1.383 14.529 -0.686 1.00 0.00 S ATOM 0 H CYS A 36 2.211 14.802 1.843 1.00 0.00 H new ATOM 0 HA CYS A 36 1.097 17.443 1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.177 16.561 -0.492 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.901 16.811 -0.301 1.00 0.00 H new ATOM 544 N GLY A 37 -0.936 16.675 3.151 1.00 0.00 N ATOM 545 CA GLY A 37 -2.256 16.680 3.783 1.00 0.00 C ATOM 546 C GLY A 37 -3.113 15.462 3.422 1.00 0.00 C ATOM 547 O GLY A 37 -2.974 14.431 4.081 1.00 0.00 O ATOM 0 H GLY A 37 -0.239 17.119 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.131 16.718 4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.786 17.586 3.491 1.00 0.00 H new ATOM 551 N PRO A 38 -4.010 15.563 2.418 1.00 0.00 N ATOM 552 CA PRO A 38 -4.818 14.453 1.925 1.00 0.00 C ATOM 553 C PRO A 38 -4.035 13.141 1.860 1.00 0.00 C ATOM 554 O PRO A 38 -4.502 12.100 2.318 1.00 0.00 O ATOM 555 CB PRO A 38 -5.302 14.895 0.542 1.00 0.00 C ATOM 556 CG PRO A 38 -5.481 16.398 0.735 1.00 0.00 C ATOM 557 CD PRO A 38 -4.320 16.769 1.661 1.00 0.00 C ATOM 0 HA PRO A 38 -5.648 14.241 2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.574 14.667 -0.237 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.234 14.406 0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.429 16.935 -0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.446 16.635 1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.455 17.103 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.597 17.587 2.326 1.00 0.00 H new ATOM 565 N CYS A 39 -2.817 13.222 1.319 1.00 0.00 N ATOM 566 CA CYS A 39 -1.879 12.119 1.162 1.00 0.00 C ATOM 567 C CYS A 39 -1.755 11.281 2.433 1.00 0.00 C ATOM 568 O CYS A 39 -1.618 10.059 2.349 1.00 0.00 O ATOM 569 CB CYS A 39 -0.505 12.686 0.794 1.00 0.00 C ATOM 570 SG CYS A 39 -0.408 13.489 -0.821 1.00 0.00 S ATOM 0 H CYS A 39 -2.445 14.102 0.963 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.256 11.467 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.211 13.406 1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.224 11.876 0.823 1.00 0.00 H new ATOM 575 N LYS A 40 -1.784 11.930 3.600 1.00 0.00 N ATOM 576 CA LYS A 40 -1.663 11.257 4.878 1.00 0.00 C ATOM 577 C LYS A 40 -2.966 10.524 5.193 1.00 0.00 C ATOM 578 O LYS A 40 -2.982 9.302 5.300 1.00 0.00 O ATOM 579 CB LYS A 40 -1.296 12.272 5.979 1.00 0.00 C ATOM 580 CG LYS A 40 -0.240 11.721 6.945 1.00 0.00 C ATOM 581 CD LYS A 40 -0.726 10.474 7.699 1.00 0.00 C ATOM 582 CE LYS A 40 0.289 10.028 8.758 1.00 0.00 C ATOM 583 NZ LYS A 40 1.582 9.648 8.162 1.00 0.00 N ATOM 0 H LYS A 40 -1.893 12.941 3.676 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.862 10.519 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.923 13.186 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.193 12.540 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.664 11.475 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.029 12.495 7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.683 10.686 8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.896 9.663 6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.444 10.835 9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.116 9.182 9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.197 9.242 8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.425 8.944 7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.038 10.490 7.755 1.00 0.00 H new ATOM 597 N MET A 41 -4.064 11.271 5.325 1.00 0.00 N ATOM 598 CA MET A 41 -5.371 10.737 5.714 1.00 0.00 C ATOM 599 C MET A 41 -5.888 9.660 4.754 1.00 0.00 C ATOM 600 O MET A 41 -6.655 8.790 5.164 1.00 0.00 O ATOM 601 CB MET A 41 -6.380 11.880 5.902 1.00 0.00 C ATOM 602 CG MET A 41 -6.527 12.776 4.669 1.00 0.00 C ATOM 603 SD MET A 41 -7.797 14.064 4.772 1.00 0.00 S ATOM 604 CE MET A 41 -7.085 15.123 6.051 1.00 0.00 C ATOM 0 H MET A 41 -4.070 12.278 5.162 1.00 0.00 H new ATOM 0 HA MET A 41 -5.244 10.232 6.672 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.353 11.457 6.152 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.071 12.491 6.750 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.567 13.254 4.475 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.747 12.144 3.809 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.682 16.030 6.147 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.078 14.591 7.002 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.064 15.389 5.777 1.00 0.00 H new ATOM 614 N ILE A 42 -5.468 9.683 3.488 1.00 0.00 N ATOM 615 CA ILE A 42 -5.846 8.646 2.535 1.00 0.00 C ATOM 616 C ILE A 42 -5.250 7.292 2.964 1.00 0.00 C ATOM 617 O ILE A 42 -5.857 6.249 2.700 1.00 0.00 O ATOM 618 CB ILE A 42 -5.424 9.083 1.118 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.371 10.211 0.662 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.498 7.920 0.117 1.00 0.00 C ATOM 621 CD1 ILE A 42 -5.794 11.046 -0.484 1.00 0.00 C ATOM 0 H ILE A 42 -4.866 10.410 3.102 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.927 8.510 2.520 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.389 9.424 1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.320 9.777 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.585 10.864 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.193 8.269 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.833 7.119 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.521 7.546 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.505 11.824 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.859 11.507 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.606 10.403 -1.344 1.00 0.00 H new ATOM 633 N ALA A 43 -4.093 7.281 3.646 1.00 0.00 N ATOM 634 CA ALA A 43 -3.472 6.034 4.078 1.00 0.00 C ATOM 635 C ALA A 43 -4.446 5.219 4.948 1.00 0.00 C ATOM 636 O ALA A 43 -4.695 4.079 4.579 1.00 0.00 O ATOM 637 CB ALA A 43 -2.104 6.287 4.726 1.00 0.00 C ATOM 0 H ALA A 43 -3.577 8.121 3.906 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.261 5.415 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.668 5.338 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.444 6.771 4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.227 6.932 5.596 1.00 0.00 H new ATOM 643 N PRO A 44 -5.028 5.729 6.053 1.00 0.00 N ATOM 644 CA PRO A 44 -6.061 5.037 6.819 1.00 0.00 C ATOM 645 C PRO A 44 -7.178 4.416 5.973 1.00 0.00 C ATOM 646 O PRO A 44 -7.611 3.286 6.215 1.00 0.00 O ATOM 647 CB PRO A 44 -6.644 6.097 7.753 1.00 0.00 C ATOM 648 CG PRO A 44 -5.451 6.996 8.050 1.00 0.00 C ATOM 649 CD PRO A 44 -4.578 6.895 6.798 1.00 0.00 C ATOM 0 HA PRO A 44 -5.613 4.189 7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.455 6.649 7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.049 5.653 8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.764 8.024 8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.913 6.662 8.937 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.668 7.797 6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.527 6.796 7.069 1.00 0.00 H new ATOM 657 N LEU A 45 -7.669 5.157 4.980 1.00 0.00 N ATOM 658 CA LEU A 45 -8.745 4.666 4.130 1.00 0.00 C ATOM 659 C LEU A 45 -8.258 3.414 3.416 1.00 0.00 C ATOM 660 O LEU A 45 -8.847 2.341 3.527 1.00 0.00 O ATOM 661 CB LEU A 45 -9.177 5.732 3.116 1.00 0.00 C ATOM 662 CG LEU A 45 -9.621 7.055 3.757 1.00 0.00 C ATOM 663 CD1 LEU A 45 -10.137 8.003 2.671 1.00 0.00 C ATOM 664 CD2 LEU A 45 -10.713 6.844 4.815 1.00 0.00 C ATOM 0 H LEU A 45 -7.339 6.094 4.748 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.615 4.432 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.349 5.929 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.996 5.337 2.515 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.754 7.488 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.452 8.942 3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.342 8.198 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.985 7.545 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.997 7.806 5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.584 6.382 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.334 6.194 5.604 1.00 0.00 H new ATOM 676 N PHE A 46 -7.133 3.549 2.718 1.00 0.00 N ATOM 677 CA PHE A 46 -6.522 2.433 2.022 1.00 0.00 C ATOM 678 C PHE A 46 -6.203 1.298 3.004 1.00 0.00 C ATOM 679 O PHE A 46 -6.389 0.132 2.673 1.00 0.00 O ATOM 680 CB PHE A 46 -5.284 2.956 1.305 1.00 0.00 C ATOM 681 CG PHE A 46 -4.449 1.897 0.609 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.007 1.027 -0.347 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.074 1.832 0.881 1.00 0.00 C ATOM 684 CE1 PHE A 46 -4.176 0.138 -1.055 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.264 0.885 0.234 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.800 0.067 -0.765 1.00 0.00 C ATOM 0 H PHE A 46 -6.627 4.430 2.623 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.203 2.009 1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.596 3.695 0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.655 3.475 2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.070 1.042 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.636 2.515 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.596 -0.493 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.224 0.788 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.163 -0.614 -1.310 1.00 0.00 H new ATOM 696 N GLU A 47 -5.766 1.623 4.222 1.00 0.00 N ATOM 697 CA GLU A 47 -5.455 0.662 5.270 1.00 0.00 C ATOM 698 C GLU A 47 -6.704 -0.149 5.618 1.00 0.00 C ATOM 699 O GLU A 47 -6.599 -1.331 5.932 1.00 0.00 O ATOM 700 CB GLU A 47 -4.896 1.387 6.501 1.00 0.00 C ATOM 701 CG GLU A 47 -4.364 0.411 7.559 1.00 0.00 C ATOM 702 CD GLU A 47 -3.642 1.167 8.670 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.354 1.721 9.534 1.00 0.00 O ATOM 704 OE2 GLU A 47 -2.393 1.198 8.618 1.00 0.00 O ATOM 0 H GLU A 47 -5.616 2.590 4.510 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.691 -0.029 4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.094 2.057 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.677 2.006 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.189 -0.164 7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.683 -0.302 7.094 1.00 0.00 H new ATOM 711 N THR A 48 -7.886 0.469 5.556 1.00 0.00 N ATOM 712 CA THR A 48 -9.135 -0.237 5.808 1.00 0.00 C ATOM 713 C THR A 48 -9.270 -1.354 4.758 1.00 0.00 C ATOM 714 O THR A 48 -9.396 -2.528 5.108 1.00 0.00 O ATOM 715 CB THR A 48 -10.306 0.760 5.791 1.00 0.00 C ATOM 716 OG1 THR A 48 -10.018 1.863 6.636 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.593 0.111 6.299 1.00 0.00 C ATOM 0 H THR A 48 -8.000 1.458 5.333 1.00 0.00 H new ATOM 0 HA THR A 48 -9.144 -0.701 6.794 1.00 0.00 H new ATOM 0 HB THR A 48 -10.440 1.085 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.409 2.477 6.176 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.402 0.841 6.275 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.849 -0.736 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.447 -0.235 7.322 1.00 0.00 H new ATOM 725 N LEU A 49 -9.168 -1.002 3.469 1.00 0.00 N ATOM 726 CA LEU A 49 -9.206 -1.986 2.386 1.00 0.00 C ATOM 727 C LEU A 49 -8.118 -3.039 2.626 1.00 0.00 C ATOM 728 O LEU A 49 -8.354 -4.237 2.462 1.00 0.00 O ATOM 729 CB LEU A 49 -8.961 -1.326 1.019 1.00 0.00 C ATOM 730 CG LEU A 49 -10.151 -0.569 0.412 1.00 0.00 C ATOM 731 CD1 LEU A 49 -10.583 0.649 1.233 1.00 0.00 C ATOM 732 CD2 LEU A 49 -9.731 -0.097 -0.984 1.00 0.00 C ATOM 0 H LEU A 49 -9.058 -0.038 3.153 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.195 -2.444 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.127 -0.631 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.651 -2.099 0.316 1.00 0.00 H new ATOM 0 HG LEU A 49 -11.004 -1.248 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.428 1.135 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.876 0.329 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.753 1.352 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.554 0.447 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.864 0.559 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.475 -0.960 -1.598 1.00 0.00 H new ATOM 744 N SER A 50 -6.929 -2.563 3.014 1.00 0.00 N ATOM 745 CA SER A 50 -5.779 -3.403 3.286 1.00 0.00 C ATOM 746 C SER A 50 -6.157 -4.490 4.280 1.00 0.00 C ATOM 747 O SER A 50 -6.006 -5.676 3.993 1.00 0.00 O ATOM 748 CB SER A 50 -4.566 -2.590 3.738 1.00 0.00 C ATOM 749 OG SER A 50 -4.238 -1.538 2.849 1.00 0.00 O ATOM 0 H SER A 50 -6.746 -1.568 3.147 1.00 0.00 H new ATOM 0 HA SER A 50 -5.476 -3.886 2.357 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.763 -2.174 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.708 -3.254 3.837 1.00 0.00 H new ATOM 0 HG SER A 50 -5.000 -0.926 2.771 1.00 0.00 H new ATOM 755 N ASN A 51 -6.662 -4.088 5.447 1.00 0.00 N ATOM 756 CA ASN A 51 -7.098 -5.016 6.474 1.00 0.00 C ATOM 757 C ASN A 51 -8.061 -6.042 5.891 1.00 0.00 C ATOM 758 O ASN A 51 -7.885 -7.243 6.115 1.00 0.00 O ATOM 759 CB ASN A 51 -7.795 -4.263 7.616 1.00 0.00 C ATOM 760 CG ASN A 51 -8.585 -5.239 8.488 1.00 0.00 C ATOM 761 OD1 ASN A 51 -7.993 -5.999 9.253 1.00 0.00 O ATOM 762 ND2 ASN A 51 -9.904 -5.301 8.327 1.00 0.00 N ATOM 0 H ASN A 51 -6.778 -3.107 5.701 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.217 -5.527 6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.055 -3.740 8.222 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.464 -3.506 7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.449 -5.991 8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.370 -4.659 7.686 1.00 0.00 H new ATOM 769 N ASP A 52 -9.075 -5.538 5.186 1.00 0.00 N ATOM 770 CA ASP A 52 -10.190 -6.320 4.682 1.00 0.00 C ATOM 771 C ASP A 52 -9.744 -7.433 3.730 1.00 0.00 C ATOM 772 O ASP A 52 -9.980 -8.600 4.034 1.00 0.00 O ATOM 773 CB ASP A 52 -11.219 -5.384 4.034 1.00 0.00 C ATOM 774 CG ASP A 52 -11.769 -4.326 4.997 1.00 0.00 C ATOM 775 OD1 ASP A 52 -11.539 -4.458 6.222 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.412 -3.387 4.478 1.00 0.00 O ATOM 0 H ASP A 52 -9.139 -4.548 4.947 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.659 -6.829 5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.759 -4.885 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.047 -5.978 3.647 1.00 0.00 H new ATOM 781 N TYR A 53 -9.089 -7.125 2.602 1.00 0.00 N ATOM 782 CA TYR A 53 -8.689 -8.187 1.667 1.00 0.00 C ATOM 783 C TYR A 53 -7.305 -8.764 2.017 1.00 0.00 C ATOM 784 O TYR A 53 -6.620 -9.287 1.135 1.00 0.00 O ATOM 785 CB TYR A 53 -8.639 -7.687 0.216 1.00 0.00 C ATOM 786 CG TYR A 53 -9.868 -7.085 -0.437 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.094 -5.703 -0.299 1.00 0.00 C ATOM 788 CD2 TYR A 53 -10.434 -7.765 -1.536 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.834 -5.004 -1.268 1.00 0.00 C ATOM 790 CE2 TYR A 53 -11.167 -7.065 -2.511 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.381 -5.684 -2.366 1.00 0.00 C ATOM 792 OH TYR A 53 -12.014 -4.974 -3.341 1.00 0.00 O ATOM 0 H TYR A 53 -8.831 -6.179 2.320 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.449 -8.963 1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.848 -6.939 0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.326 -8.528 -0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.697 -5.177 0.556 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.303 -8.833 -1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.982 -3.939 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.564 -7.587 -3.369 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.337 -5.587 -4.034 1.00 0.00 H new ATOM 802 N ALA A 54 -6.848 -8.659 3.268 1.00 0.00 N ATOM 803 CA ALA A 54 -5.518 -9.139 3.625 1.00 0.00 C ATOM 804 C ALA A 54 -5.333 -10.619 3.269 1.00 0.00 C ATOM 805 O ALA A 54 -6.293 -11.390 3.230 1.00 0.00 O ATOM 806 CB ALA A 54 -5.287 -8.927 5.117 1.00 0.00 C ATOM 0 H ALA A 54 -7.375 -8.250 4.040 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.786 -8.571 3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.293 -9.285 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.365 -7.865 5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.037 -9.479 5.683 1.00 0.00 H new ATOM 812 N GLY A 55 -4.091 -11.023 2.996 1.00 0.00 N ATOM 813 CA GLY A 55 -3.766 -12.397 2.637 1.00 0.00 C ATOM 814 C GLY A 55 -4.082 -12.628 1.163 1.00 0.00 C ATOM 815 O GLY A 55 -3.190 -12.954 0.382 1.00 0.00 O ATOM 0 H GLY A 55 -3.283 -10.401 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.711 -12.594 2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.337 -13.090 3.255 1.00 0.00 H new ATOM 819 N LYS A 56 -5.350 -12.459 0.779 1.00 0.00 N ATOM 820 CA LYS A 56 -5.774 -12.563 -0.608 1.00 0.00 C ATOM 821 C LYS A 56 -5.061 -11.508 -1.452 1.00 0.00 C ATOM 822 O LYS A 56 -4.629 -11.791 -2.567 1.00 0.00 O ATOM 823 CB LYS A 56 -7.293 -12.366 -0.683 1.00 0.00 C ATOM 824 CG LYS A 56 -8.030 -13.640 -0.262 1.00 0.00 C ATOM 825 CD LYS A 56 -8.509 -14.477 -1.458 1.00 0.00 C ATOM 826 CE LYS A 56 -7.411 -15.058 -2.365 1.00 0.00 C ATOM 827 NZ LYS A 56 -6.860 -14.074 -3.320 1.00 0.00 N ATOM 0 H LYS A 56 -6.108 -12.246 1.427 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.517 -13.548 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.589 -11.539 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.579 -12.095 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.371 -14.247 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.888 -13.371 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.112 -15.302 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.165 -13.857 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.602 -15.443 -1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.817 -15.904 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.784 -14.509 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.490 -13.248 -3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.917 -13.771 -3.001 1.00 0.00 H new ATOM 841 N VAL A 57 -4.966 -10.291 -0.919 1.00 0.00 N ATOM 842 CA VAL A 57 -4.320 -9.151 -1.542 1.00 0.00 C ATOM 843 C VAL A 57 -3.179 -8.717 -0.626 1.00 0.00 C ATOM 844 O VAL A 57 -3.332 -8.734 0.598 1.00 0.00 O ATOM 845 CB VAL A 57 -5.367 -8.041 -1.726 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.777 -6.764 -2.337 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.578 -8.527 -2.535 1.00 0.00 C ATOM 0 H VAL A 57 -5.355 -10.070 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.911 -9.389 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.712 -7.785 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.562 -6.015 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.993 -6.378 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.356 -6.990 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.294 -7.713 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.249 -8.853 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.051 -9.361 -2.016 1.00 0.00 H new ATOM 857 N ILE A 58 -2.028 -8.365 -1.205 1.00 0.00 N ATOM 858 CA ILE A 58 -0.881 -7.889 -0.439 1.00 0.00 C ATOM 859 C ILE A 58 -0.952 -6.371 -0.553 1.00 0.00 C ATOM 860 O ILE A 58 -1.117 -5.864 -1.662 1.00 0.00 O ATOM 861 CB ILE A 58 0.441 -8.445 -1.004 1.00 0.00 C ATOM 862 CG1 ILE A 58 0.603 -9.971 -0.873 1.00 0.00 C ATOM 863 CG2 ILE A 58 1.635 -7.803 -0.277 1.00 0.00 C ATOM 864 CD1 ILE A 58 -0.491 -10.808 -1.540 1.00 0.00 C ATOM 0 H ILE A 58 -1.869 -8.403 -2.212 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.908 -8.221 0.599 1.00 0.00 H new ATOM 0 HB ILE A 58 0.414 -8.201 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.565 -10.255 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.637 -10.226 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.565 -8.202 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.610 -6.723 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.577 -8.029 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.282 -11.867 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.457 -10.562 -1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.514 -10.592 -2.608 1.00 0.00 H new ATOM 876 N PHE A 59 -0.845 -5.644 0.563 1.00 0.00 N ATOM 877 CA PHE A 59 -0.953 -4.193 0.542 1.00 0.00 C ATOM 878 C PHE A 59 0.297 -3.553 1.125 1.00 0.00 C ATOM 879 O PHE A 59 0.838 -4.022 2.124 1.00 0.00 O ATOM 880 CB PHE A 59 -2.194 -3.756 1.301 1.00 0.00 C ATOM 881 CG PHE A 59 -3.483 -4.214 0.662 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.049 -5.450 1.019 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.209 -3.317 -0.137 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.396 -5.704 0.721 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.539 -3.595 -0.486 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.147 -4.770 -0.021 1.00 0.00 C ATOM 0 H PHE A 59 -0.684 -6.041 1.488 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.044 -3.861 -0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.144 -4.145 2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.201 -2.669 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.452 -6.198 1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.741 -2.408 -0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.859 -6.618 1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.092 -2.908 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.189 -4.959 -0.231 1.00 0.00 H new ATOM 896 N LEU A 60 0.733 -2.464 0.496 1.00 0.00 N ATOM 897 CA LEU A 60 1.939 -1.739 0.854 1.00 0.00 C ATOM 898 C LEU A 60 1.648 -0.244 0.916 1.00 0.00 C ATOM 899 O LEU A 60 1.146 0.323 -0.049 1.00 0.00 O ATOM 900 CB LEU A 60 2.990 -2.038 -0.224 1.00 0.00 C ATOM 901 CG LEU A 60 4.053 -3.035 0.240 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.599 -3.777 -0.980 1.00 0.00 C ATOM 903 CD2 LEU A 60 5.184 -2.258 0.917 1.00 0.00 C ATOM 0 H LEU A 60 0.240 -2.054 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 60 2.302 -2.048 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.492 -2.432 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.476 -1.108 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 60 3.626 -3.752 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.358 -4.491 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.787 -4.308 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.042 -3.062 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.952 -2.954 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.618 -1.555 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.788 -1.711 1.773 1.00 0.00 H new ATOM 915 N LYS A 61 1.952 0.405 2.036 1.00 0.00 N ATOM 916 CA LYS A 61 1.831 1.855 2.177 1.00 0.00 C ATOM 917 C LYS A 61 3.258 2.407 2.200 1.00 0.00 C ATOM 918 O LYS A 61 3.955 2.281 3.207 1.00 0.00 O ATOM 919 CB LYS A 61 1.015 2.187 3.432 1.00 0.00 C ATOM 920 CG LYS A 61 -0.480 2.129 3.125 1.00 0.00 C ATOM 921 CD LYS A 61 -1.362 2.076 4.382 1.00 0.00 C ATOM 922 CE LYS A 61 -1.300 0.724 5.109 1.00 0.00 C ATOM 923 NZ LYS A 61 -1.746 -0.402 4.268 1.00 0.00 N ATOM 0 H LYS A 61 2.291 -0.062 2.877 1.00 0.00 H new ATOM 0 HA LYS A 61 1.290 2.319 1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.257 1.483 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.280 3.180 3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.756 3.002 2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.683 1.252 2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.053 2.865 5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.395 2.284 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.277 0.541 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.920 0.770 6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.747 -1.277 4.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.707 -0.214 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.099 -0.510 3.461 1.00 0.00 H new ATOM 937 N VAL A 62 3.707 2.973 1.075 1.00 0.00 N ATOM 938 CA VAL A 62 5.075 3.445 0.906 1.00 0.00 C ATOM 939 C VAL A 62 5.135 4.966 0.971 1.00 0.00 C ATOM 940 O VAL A 62 4.487 5.654 0.176 1.00 0.00 O ATOM 941 CB VAL A 62 5.627 2.915 -0.431 1.00 0.00 C ATOM 942 CG1 VAL A 62 6.922 3.613 -0.875 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.923 1.420 -0.268 1.00 0.00 C ATOM 0 H VAL A 62 3.122 3.115 0.252 1.00 0.00 H new ATOM 0 HA VAL A 62 5.695 3.067 1.719 1.00 0.00 H new ATOM 0 HB VAL A 62 4.873 3.112 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.256 3.192 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.737 4.680 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.694 3.463 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.316 1.023 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.659 1.279 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.005 0.894 -0.007 1.00 0.00 H new ATOM 953 N ASP A 63 5.937 5.481 1.910 1.00 0.00 N ATOM 954 CA ASP A 63 6.191 6.909 1.988 1.00 0.00 C ATOM 955 C ASP A 63 7.142 7.300 0.852 1.00 0.00 C ATOM 956 O ASP A 63 8.345 7.043 0.919 1.00 0.00 O ATOM 957 CB ASP A 63 6.784 7.313 3.336 1.00 0.00 C ATOM 958 CG ASP A 63 7.170 8.790 3.288 1.00 0.00 C ATOM 959 OD1 ASP A 63 6.291 9.609 2.939 1.00 0.00 O ATOM 960 OD2 ASP A 63 8.360 9.069 3.535 1.00 0.00 O ATOM 0 H ASP A 63 6.416 4.926 2.620 1.00 0.00 H new ATOM 0 HA ASP A 63 5.242 7.436 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.061 7.139 4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.659 6.703 3.560 1.00 0.00 H new ATOM 965 N VAL A 64 6.592 7.934 -0.181 1.00 0.00 N ATOM 966 CA VAL A 64 7.319 8.418 -1.346 1.00 0.00 C ATOM 967 C VAL A 64 8.437 9.367 -0.930 1.00 0.00 C ATOM 968 O VAL A 64 9.515 9.329 -1.517 1.00 0.00 O ATOM 969 CB VAL A 64 6.331 9.128 -2.286 1.00 0.00 C ATOM 970 CG1 VAL A 64 7.018 9.982 -3.359 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.459 8.083 -2.976 1.00 0.00 C ATOM 0 H VAL A 64 5.592 8.130 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 64 7.777 7.575 -1.864 1.00 0.00 H new ATOM 0 HB VAL A 64 5.738 9.802 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.263 10.454 -3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.623 10.751 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.657 9.348 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.756 8.580 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.090 7.405 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.908 7.516 -2.226 1.00 0.00 H new ATOM 981 N ASP A 65 8.171 10.233 0.056 1.00 0.00 N ATOM 982 CA ASP A 65 9.143 11.220 0.506 1.00 0.00 C ATOM 983 C ASP A 65 10.467 10.532 0.847 1.00 0.00 C ATOM 984 O ASP A 65 11.524 10.921 0.356 1.00 0.00 O ATOM 985 CB ASP A 65 8.583 11.994 1.702 1.00 0.00 C ATOM 986 CG ASP A 65 9.444 13.217 1.976 1.00 0.00 C ATOM 987 OD1 ASP A 65 9.253 14.202 1.227 1.00 0.00 O ATOM 988 OD2 ASP A 65 10.259 13.150 2.919 1.00 0.00 O ATOM 0 H ASP A 65 7.283 10.264 0.556 1.00 0.00 H new ATOM 0 HA ASP A 65 9.336 11.935 -0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.556 12.299 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.558 11.352 2.582 1.00 0.00 H new ATOM 993 N ALA A 66 10.393 9.483 1.670 1.00 0.00 N ATOM 994 CA ALA A 66 11.544 8.689 2.051 1.00 0.00 C ATOM 995 C ALA A 66 12.015 7.818 0.886 1.00 0.00 C ATOM 996 O ALA A 66 13.153 7.944 0.437 1.00 0.00 O ATOM 997 CB ALA A 66 11.163 7.813 3.242 1.00 0.00 C ATOM 0 H ALA A 66 9.520 9.165 2.090 1.00 0.00 H new ATOM 0 HA ALA A 66 12.364 9.353 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.021 7.210 3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.858 8.445 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.338 7.158 2.963 1.00 0.00 H new ATOM 1003 N VAL A 67 11.156 6.925 0.379 1.00 0.00 N ATOM 1004 CA VAL A 67 11.532 5.990 -0.679 1.00 0.00 C ATOM 1005 C VAL A 67 11.422 6.686 -2.044 1.00 0.00 C ATOM 1006 O VAL A 67 10.736 6.227 -2.963 1.00 0.00 O ATOM 1007 CB VAL A 67 10.695 4.700 -0.572 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.312 3.591 -1.433 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.679 4.158 0.863 1.00 0.00 C ATOM 0 H VAL A 67 10.189 6.833 0.690 1.00 0.00 H new ATOM 0 HA VAL A 67 12.572 5.684 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 67 9.688 4.958 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.710 2.686 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.339 3.911 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.326 3.386 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.080 3.248 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.698 3.935 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.248 4.905 1.529 1.00 0.00 H new ATOM 1019 N ALA A 68 12.163 7.787 -2.186 1.00 0.00 N ATOM 1020 CA ALA A 68 12.190 8.592 -3.393 1.00 0.00 C ATOM 1021 C ALA A 68 12.687 7.759 -4.574 1.00 0.00 C ATOM 1022 O ALA A 68 12.116 7.829 -5.655 1.00 0.00 O ATOM 1023 CB ALA A 68 13.087 9.811 -3.166 1.00 0.00 C ATOM 0 H ALA A 68 12.769 8.144 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 68 11.182 8.934 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.110 10.419 -4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.693 10.404 -2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.097 9.480 -2.925 1.00 0.00 H new ATOM 1029 N ALA A 69 13.737 6.959 -4.365 1.00 0.00 N ATOM 1030 CA ALA A 69 14.346 6.136 -5.405 1.00 0.00 C ATOM 1031 C ALA A 69 13.310 5.268 -6.131 1.00 0.00 C ATOM 1032 O ALA A 69 13.179 5.350 -7.353 1.00 0.00 O ATOM 1033 CB ALA A 69 15.439 5.264 -4.780 1.00 0.00 C ATOM 0 H ALA A 69 14.191 6.866 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 69 14.784 6.796 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.898 4.647 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.198 5.901 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.000 4.622 -4.016 1.00 0.00 H new ATOM 1039 N VAL A 70 12.577 4.433 -5.383 1.00 0.00 N ATOM 1040 CA VAL A 70 11.577 3.557 -5.982 1.00 0.00 C ATOM 1041 C VAL A 70 10.507 4.413 -6.648 1.00 0.00 C ATOM 1042 O VAL A 70 10.138 4.135 -7.782 1.00 0.00 O ATOM 1043 CB VAL A 70 10.935 2.617 -4.949 1.00 0.00 C ATOM 1044 CG1 VAL A 70 9.968 1.642 -5.630 1.00 0.00 C ATOM 1045 CG2 VAL A 70 11.978 1.765 -4.225 1.00 0.00 C ATOM 0 H VAL A 70 12.661 4.350 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 70 12.073 2.927 -6.720 1.00 0.00 H new ATOM 0 HB VAL A 70 10.416 3.260 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.525 0.986 -4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.180 2.203 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.510 1.043 -6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.481 1.116 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.517 1.156 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.680 2.415 -3.703 1.00 0.00 H new ATOM 1055 N ALA A 71 10.004 5.434 -5.948 1.00 0.00 N ATOM 1056 CA ALA A 71 8.979 6.315 -6.501 1.00 0.00 C ATOM 1057 C ALA A 71 9.409 6.844 -7.879 1.00 0.00 C ATOM 1058 O ALA A 71 8.634 6.807 -8.835 1.00 0.00 O ATOM 1059 CB ALA A 71 8.706 7.459 -5.523 1.00 0.00 C ATOM 0 H ALA A 71 10.292 5.668 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 71 8.056 5.753 -6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.941 8.116 -5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.360 7.051 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.623 8.026 -5.361 1.00 0.00 H new ATOM 1065 N GLU A 72 10.652 7.320 -7.985 1.00 0.00 N ATOM 1066 CA GLU A 72 11.231 7.802 -9.226 1.00 0.00 C ATOM 1067 C GLU A 72 11.247 6.687 -10.268 1.00 0.00 C ATOM 1068 O GLU A 72 10.667 6.833 -11.342 1.00 0.00 O ATOM 1069 CB GLU A 72 12.661 8.315 -8.971 1.00 0.00 C ATOM 1070 CG GLU A 72 12.789 9.742 -9.490 1.00 0.00 C ATOM 1071 CD GLU A 72 14.180 10.308 -9.224 1.00 0.00 C ATOM 1072 OE1 GLU A 72 14.409 10.729 -8.069 1.00 0.00 O ATOM 1073 OE2 GLU A 72 14.992 10.296 -10.174 1.00 0.00 O ATOM 0 H GLU A 72 11.290 7.379 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 72 10.623 8.623 -9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.886 8.283 -7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.385 7.669 -9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.585 9.761 -10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.040 10.373 -9.012 1.00 0.00 H new ATOM 1080 N ALA A 73 11.910 5.571 -9.950 1.00 0.00 N ATOM 1081 CA ALA A 73 12.066 4.460 -10.880 1.00 0.00 C ATOM 1082 C ALA A 73 10.714 3.958 -11.398 1.00 0.00 C ATOM 1083 O ALA A 73 10.566 3.658 -12.579 1.00 0.00 O ATOM 1084 CB ALA A 73 12.831 3.330 -10.186 1.00 0.00 C ATOM 0 H ALA A 73 12.350 5.417 -9.043 1.00 0.00 H new ATOM 0 HA ALA A 73 12.629 4.809 -11.746 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.952 2.495 -10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.812 3.691 -9.878 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.274 2.999 -9.309 1.00 0.00 H new ATOM 1090 N ALA A 74 9.726 3.873 -10.506 1.00 0.00 N ATOM 1091 CA ALA A 74 8.376 3.422 -10.805 1.00 0.00 C ATOM 1092 C ALA A 74 7.541 4.527 -11.477 1.00 0.00 C ATOM 1093 O ALA A 74 6.395 4.285 -11.849 1.00 0.00 O ATOM 1094 CB ALA A 74 7.749 2.905 -9.506 1.00 0.00 C ATOM 0 H ALA A 74 9.853 4.125 -9.526 1.00 0.00 H new ATOM 0 HA ALA A 74 8.404 2.609 -11.531 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.734 2.560 -9.704 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.344 2.078 -9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.722 3.709 -8.770 1.00 0.00 H new ATOM 1100 N GLY A 75 8.083 5.738 -11.655 1.00 0.00 N ATOM 1101 CA GLY A 75 7.409 6.832 -12.341 1.00 0.00 C ATOM 1102 C GLY A 75 6.166 7.324 -11.603 1.00 0.00 C ATOM 1103 O GLY A 75 5.114 7.515 -12.213 1.00 0.00 O ATOM 0 H GLY A 75 9.015 5.982 -11.320 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.105 7.662 -12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.125 6.506 -13.342 1.00 0.00 H new ATOM 1107 N ILE A 76 6.276 7.555 -10.295 1.00 0.00 N ATOM 1108 CA ILE A 76 5.170 8.066 -9.493 1.00 0.00 C ATOM 1109 C ILE A 76 5.056 9.568 -9.771 1.00 0.00 C ATOM 1110 O ILE A 76 5.995 10.314 -9.498 1.00 0.00 O ATOM 1111 CB ILE A 76 5.425 7.754 -8.006 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.013 6.315 -7.655 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.644 8.690 -7.071 1.00 0.00 C ATOM 1114 CD1 ILE A 76 5.442 5.261 -8.673 1.00 0.00 C ATOM 0 H ILE A 76 7.132 7.393 -9.765 1.00 0.00 H new ATOM 0 HA ILE A 76 4.225 7.590 -9.753 1.00 0.00 H new ATOM 0 HB ILE A 76 6.496 7.895 -7.860 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.437 6.057 -6.685 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.929 6.278 -7.549 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.857 8.430 -6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.944 9.722 -7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.576 8.584 -7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.108 4.278 -8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.997 5.488 -9.642 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.528 5.264 -8.764 1.00 0.00 H new ATOM 1126 N THR A 77 3.921 10.008 -10.320 1.00 0.00 N ATOM 1127 CA THR A 77 3.677 11.394 -10.679 1.00 0.00 C ATOM 1128 C THR A 77 2.864 12.096 -9.586 1.00 0.00 C ATOM 1129 O THR A 77 3.421 12.767 -8.721 1.00 0.00 O ATOM 1130 CB THR A 77 2.953 11.405 -12.033 1.00 0.00 C ATOM 1131 OG1 THR A 77 1.845 10.521 -11.977 1.00 0.00 O ATOM 1132 CG2 THR A 77 3.891 10.947 -13.155 1.00 0.00 C ATOM 0 H THR A 77 3.135 9.393 -10.529 1.00 0.00 H new ATOM 0 HA THR A 77 4.614 11.944 -10.767 1.00 0.00 H new ATOM 0 HB THR A 77 2.622 12.423 -12.240 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.379 10.526 -12.839 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.357 10.963 -14.105 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.748 11.618 -13.210 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.236 9.934 -12.950 1.00 0.00 H new ATOM 1140 N ALA A 78 1.539 11.958 -9.640 1.00 0.00 N ATOM 1141 CA ALA A 78 0.613 12.601 -8.718 1.00 0.00 C ATOM 1142 C ALA A 78 0.356 11.699 -7.512 1.00 0.00 C ATOM 1143 O ALA A 78 -0.412 10.741 -7.598 1.00 0.00 O ATOM 1144 CB ALA A 78 -0.688 12.924 -9.460 1.00 0.00 C ATOM 0 H ALA A 78 1.073 11.383 -10.342 1.00 0.00 H new ATOM 0 HA ALA A 78 1.045 13.530 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.387 13.406 -8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.475 13.594 -10.293 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.129 12.002 -9.839 1.00 0.00 H new ATOM 1150 N MET A 79 1.003 11.990 -6.382 1.00 0.00 N ATOM 1151 CA MET A 79 0.787 11.234 -5.156 1.00 0.00 C ATOM 1152 C MET A 79 -0.588 11.621 -4.580 1.00 0.00 C ATOM 1153 O MET A 79 -0.931 12.803 -4.620 1.00 0.00 O ATOM 1154 CB MET A 79 1.886 11.534 -4.122 1.00 0.00 C ATOM 1155 CG MET A 79 3.305 11.535 -4.706 1.00 0.00 C ATOM 1156 SD MET A 79 3.908 13.174 -5.191 1.00 0.00 S ATOM 1157 CE MET A 79 5.391 12.730 -6.122 1.00 0.00 C ATOM 0 H MET A 79 1.682 12.746 -6.295 1.00 0.00 H new ATOM 0 HA MET A 79 0.820 10.168 -5.382 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.689 12.506 -3.669 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.832 10.793 -3.324 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.989 11.112 -3.970 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.328 10.880 -5.577 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.826 13.627 -6.562 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.115 12.266 -5.453 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.127 12.029 -6.914 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.373 10.687 -4.016 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.092 9.264 -3.904 1.00 0.00 C ATOM 1169 C PRO A 80 -1.183 8.562 -5.257 1.00 0.00 C ATOM 1170 O PRO A 80 -2.060 8.868 -6.061 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.146 8.697 -2.949 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.565 9.918 -2.143 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.526 11.020 -3.198 1.00 0.00 C ATOM 0 HA PRO A 80 -0.078 9.104 -3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.987 8.261 -3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.735 7.914 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.559 9.801 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.881 10.118 -1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.442 11.039 -3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.420 12.005 -2.742 1.00 0.00 H new ATOM 1181 N THR A 81 -0.267 7.627 -5.503 1.00 0.00 N ATOM 1182 CA THR A 81 -0.224 6.831 -6.716 1.00 0.00 C ATOM 1183 C THR A 81 -0.333 5.359 -6.322 1.00 0.00 C ATOM 1184 O THR A 81 0.593 4.795 -5.737 1.00 0.00 O ATOM 1185 CB THR A 81 1.064 7.160 -7.482 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.994 8.459 -8.038 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.308 6.187 -8.636 1.00 0.00 C ATOM 0 H THR A 81 0.480 7.401 -4.846 1.00 0.00 H new ATOM 0 HA THR A 81 -1.055 7.057 -7.385 1.00 0.00 H new ATOM 0 HB THR A 81 1.877 7.085 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.300 8.975 -7.577 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.230 6.457 -9.151 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.394 5.173 -8.245 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.474 6.236 -9.336 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.474 4.741 -6.630 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.722 3.335 -6.381 1.00 0.00 C ATOM 1197 C PHE A 82 -1.166 2.543 -7.559 1.00 0.00 C ATOM 1198 O PHE A 82 -1.428 2.885 -8.711 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.223 3.093 -6.214 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.781 3.745 -4.969 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.652 3.084 -3.735 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.266 5.067 -5.009 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.979 3.754 -2.547 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.586 5.735 -3.814 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.405 5.088 -2.581 1.00 0.00 C ATOM 0 H PHE A 82 -2.261 5.220 -7.067 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.232 3.013 -5.462 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.749 3.477 -7.088 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.412 2.020 -6.174 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.302 2.063 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.392 5.567 -5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.902 3.239 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.970 6.744 -3.844 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.594 5.619 -1.659 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.391 1.502 -7.271 1.00 0.00 N ATOM 1216 CA HIS A 83 0.257 0.627 -8.235 1.00 0.00 C ATOM 1217 C HIS A 83 -0.125 -0.811 -7.897 1.00 0.00 C ATOM 1218 O HIS A 83 -0.090 -1.171 -6.723 1.00 0.00 O ATOM 1219 CB HIS A 83 1.773 0.810 -8.104 1.00 0.00 C ATOM 1220 CG HIS A 83 2.402 1.743 -9.106 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.701 1.539 -9.576 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.908 2.899 -9.650 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.912 2.559 -10.414 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.871 3.399 -10.497 1.00 0.00 N ATOM 0 H HIS A 83 -0.189 1.234 -6.308 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.051 0.860 -9.254 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.992 1.180 -7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.249 -0.167 -8.194 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.941 3.337 -9.451 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.829 2.693 -10.968 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.806 4.239 -11.072 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.481 -1.634 -8.886 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.862 -3.023 -8.664 1.00 0.00 C ATOM 1234 C VAL A 84 0.187 -3.944 -9.291 1.00 0.00 C ATOM 1235 O VAL A 84 0.070 -4.316 -10.461 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.267 -3.296 -9.238 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.743 -4.669 -8.746 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.290 -2.238 -8.803 1.00 0.00 C ATOM 0 H VAL A 84 -0.512 -1.351 -9.865 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.903 -3.223 -7.593 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.194 -3.264 -10.325 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.736 -4.874 -9.145 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.049 -5.438 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.782 -4.672 -7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.263 -2.475 -9.233 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.366 -2.230 -7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.969 -1.256 -9.151 1.00 0.00 H new ATOM 1248 N TYR A 85 1.207 -4.347 -8.526 1.00 0.00 N ATOM 1249 CA TYR A 85 2.207 -5.278 -9.038 1.00 0.00 C ATOM 1250 C TYR A 85 1.652 -6.691 -8.881 1.00 0.00 C ATOM 1251 O TYR A 85 2.121 -7.458 -8.043 1.00 0.00 O ATOM 1252 CB TYR A 85 3.570 -5.112 -8.347 1.00 0.00 C ATOM 1253 CG TYR A 85 4.288 -3.809 -8.629 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.927 -2.651 -7.920 1.00 0.00 C ATOM 1255 CD2 TYR A 85 5.376 -3.767 -9.522 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.576 -1.435 -8.189 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.996 -2.540 -9.815 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.538 -1.361 -9.205 1.00 0.00 C ATOM 1259 OH TYR A 85 5.955 -0.143 -9.649 1.00 0.00 O ATOM 0 H TYR A 85 1.358 -4.046 -7.563 1.00 0.00 H new ATOM 0 HA TYR A 85 2.396 -5.068 -10.091 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.426 -5.202 -7.270 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.215 -5.936 -8.652 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.152 -2.696 -7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.734 -4.677 -9.981 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.333 -0.555 -7.612 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.823 -2.504 -10.508 1.00 0.00 H new ATOM 0 HH TYR A 85 5.350 0.552 -9.315 1.00 0.00 H new ATOM 1269 N LYS A 86 0.621 -7.040 -9.657 1.00 0.00 N ATOM 1270 CA LYS A 86 0.037 -8.371 -9.572 1.00 0.00 C ATOM 1271 C LYS A 86 1.133 -9.402 -9.850 1.00 0.00 C ATOM 1272 O LYS A 86 1.934 -9.217 -10.768 1.00 0.00 O ATOM 1273 CB LYS A 86 -1.170 -8.503 -10.511 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.924 -9.819 -10.253 1.00 0.00 C ATOM 1275 CD LYS A 86 -3.399 -9.801 -10.685 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.611 -9.673 -12.199 1.00 0.00 C ATOM 1277 NZ LYS A 86 -3.439 -8.291 -12.678 1.00 0.00 N ATOM 0 H LYS A 86 0.182 -6.424 -10.341 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.352 -8.553 -8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.844 -7.659 -10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.835 -8.468 -11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.414 -10.625 -10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.872 -10.051 -9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.878 -10.717 -10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.901 -8.971 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.907 -10.324 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.613 -10.020 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.802 -8.212 -13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.964 -7.641 -12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.429 -8.042 -12.665 1.00 0.00 H new ATOM 1291 N ASP A 87 1.196 -10.439 -9.004 1.00 0.00 N ATOM 1292 CA ASP A 87 2.225 -11.471 -8.941 1.00 0.00 C ATOM 1293 C ASP A 87 3.490 -10.810 -8.396 1.00 0.00 C ATOM 1294 O ASP A 87 3.925 -11.073 -7.280 1.00 0.00 O ATOM 1295 CB ASP A 87 2.464 -12.149 -10.303 1.00 0.00 C ATOM 1296 CG ASP A 87 3.552 -13.212 -10.205 1.00 0.00 C ATOM 1297 OD1 ASP A 87 3.683 -13.787 -9.105 1.00 0.00 O ATOM 1298 OD2 ASP A 87 4.237 -13.415 -11.230 1.00 0.00 O ATOM 0 H ASP A 87 0.475 -10.584 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 87 1.905 -12.278 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.538 -12.604 -10.653 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.750 -11.399 -11.041 1.00 0.00 H new ATOM 1303 N GLY A 88 4.034 -9.909 -9.203 1.00 0.00 N ATOM 1304 CA GLY A 88 5.175 -9.064 -8.906 1.00 0.00 C ATOM 1305 C GLY A 88 5.493 -8.163 -10.100 1.00 0.00 C ATOM 1306 O GLY A 88 6.640 -7.757 -10.267 1.00 0.00 O ATOM 0 H GLY A 88 3.665 -9.741 -10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.966 -8.454 -8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.041 -9.681 -8.667 1.00 0.00 H new ATOM 1310 N VAL A 89 4.492 -7.841 -10.935 1.00 0.00 N ATOM 1311 CA VAL A 89 4.673 -7.049 -12.142 1.00 0.00 C ATOM 1312 C VAL A 89 3.546 -6.021 -12.222 1.00 0.00 C ATOM 1313 O VAL A 89 2.380 -6.402 -12.176 1.00 0.00 O ATOM 1314 CB VAL A 89 4.649 -7.976 -13.374 1.00 0.00 C ATOM 1315 CG1 VAL A 89 4.939 -7.180 -14.655 1.00 0.00 C ATOM 1316 CG2 VAL A 89 5.671 -9.114 -13.256 1.00 0.00 C ATOM 0 H VAL A 89 3.526 -8.131 -10.781 1.00 0.00 H new ATOM 0 HA VAL A 89 5.633 -6.532 -12.118 1.00 0.00 H new ATOM 0 HB VAL A 89 3.650 -8.409 -13.422 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.918 -7.852 -15.513 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.182 -6.406 -14.781 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.923 -6.717 -14.581 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.620 -9.742 -14.145 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.673 -8.695 -13.165 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.447 -9.714 -12.374 1.00 0.00 H new ATOM 1326 N LYS A 90 3.901 -4.732 -12.285 1.00 0.00 N ATOM 1327 CA LYS A 90 3.003 -3.586 -12.436 1.00 0.00 C ATOM 1328 C LYS A 90 1.957 -3.853 -13.533 1.00 0.00 C ATOM 1329 O LYS A 90 2.183 -3.555 -14.704 1.00 0.00 O ATOM 1330 CB LYS A 90 3.854 -2.350 -12.768 1.00 0.00 C ATOM 1331 CG LYS A 90 3.077 -1.051 -12.528 1.00 0.00 C ATOM 1332 CD LYS A 90 3.877 0.180 -12.978 1.00 0.00 C ATOM 1333 CE LYS A 90 4.106 0.256 -14.494 1.00 0.00 C ATOM 1334 NZ LYS A 90 2.848 0.097 -15.246 1.00 0.00 N ATOM 0 H LYS A 90 4.879 -4.447 -12.229 1.00 0.00 H new ATOM 0 HA LYS A 90 2.456 -3.415 -11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.756 -2.354 -12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.174 -2.396 -13.809 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.131 -1.088 -13.068 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.836 -0.961 -11.469 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.353 1.079 -12.655 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.844 0.176 -12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.561 1.214 -14.745 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.810 -0.520 -14.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.977 0.449 -16.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.586 -0.909 -15.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.093 0.638 -14.778 1.00 0.00 H new ATOM 1348 N ALA A 91 0.807 -4.406 -13.148 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.251 -4.803 -14.062 1.00 0.00 C ATOM 1350 C ALA A 91 -1.198 -3.650 -14.362 1.00 0.00 C ATOM 1351 O ALA A 91 -1.750 -3.571 -15.457 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.021 -5.971 -13.440 1.00 0.00 C ATOM 0 H ALA A 91 0.585 -4.592 -12.170 1.00 0.00 H new ATOM 0 HA ALA A 91 0.198 -5.105 -15.008 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.819 -6.281 -14.114 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.342 -6.807 -13.273 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.451 -5.658 -12.489 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.419 -2.780 -13.376 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.336 -1.657 -13.477 1.00 0.00 C ATOM 1360 C ASP A 92 -1.910 -0.610 -12.453 1.00 0.00 C ATOM 1361 O ASP A 92 -1.207 -0.957 -11.502 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.753 -2.177 -13.218 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.869 -1.198 -13.556 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.557 -0.078 -14.012 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -6.030 -1.622 -13.365 1.00 0.00 O ATOM 0 H ASP A 92 -0.954 -2.842 -12.470 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.320 -1.195 -14.464 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.901 -3.088 -13.798 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.837 -2.451 -12.166 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.318 0.646 -12.645 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.964 1.775 -11.794 1.00 0.00 C ATOM 1372 C ASP A 93 -3.159 2.720 -11.696 1.00 0.00 C ATOM 1373 O ASP A 93 -4.088 2.626 -12.496 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.767 2.541 -12.378 1.00 0.00 C ATOM 1375 CG ASP A 93 0.453 1.665 -12.639 1.00 0.00 C ATOM 1376 OD1 ASP A 93 0.893 0.993 -11.683 1.00 0.00 O ATOM 1377 OD2 ASP A 93 0.938 1.694 -13.791 1.00 0.00 O ATOM 0 H ASP A 93 -2.923 0.910 -13.423 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.694 1.399 -10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.070 3.014 -13.312 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.489 3.341 -11.692 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.123 3.651 -10.741 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.193 4.605 -10.499 1.00 0.00 C ATOM 1384 C LEU A 94 -3.670 5.771 -9.660 1.00 0.00 C ATOM 1385 O LEU A 94 -3.299 5.581 -8.507 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.331 3.875 -9.774 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.395 4.800 -9.172 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.042 5.635 -10.279 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.430 3.933 -8.453 1.00 0.00 C ATOM 0 H LEU A 94 -2.333 3.760 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.563 5.012 -11.440 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.814 3.194 -10.475 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.905 3.264 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.947 5.490 -8.458 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.797 6.291 -9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.280 6.237 -10.774 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.511 4.973 -11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.198 4.571 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.889 3.248 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.941 3.361 -7.664 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.652 6.982 -10.218 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.217 8.172 -9.503 1.00 0.00 C ATOM 1403 C VAL A 95 -4.394 8.827 -8.771 1.00 0.00 C ATOM 1404 O VAL A 95 -5.554 8.620 -9.137 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.545 9.161 -10.473 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.273 8.554 -11.076 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.474 9.642 -11.597 1.00 0.00 C ATOM 0 H VAL A 95 -3.940 7.161 -11.180 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.483 7.879 -8.753 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.290 10.036 -9.875 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.816 9.271 -11.758 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.571 8.314 -10.278 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.527 7.645 -11.622 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.935 10.336 -12.242 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.809 8.786 -12.183 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.338 10.146 -11.164 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.088 9.633 -7.753 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.060 10.397 -6.987 1.00 0.00 C ATOM 1419 C GLY A 96 -5.694 9.582 -5.861 1.00 0.00 C ATOM 1420 O GLY A 96 -5.489 8.375 -5.748 1.00 0.00 O ATOM 0 H GLY A 96 -3.129 9.773 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.574 11.276 -6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.843 10.756 -7.656 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.474 10.270 -5.014 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.181 9.673 -3.884 1.00 0.00 C ATOM 1426 C ALA A 97 -8.072 8.523 -4.356 1.00 0.00 C ATOM 1427 O ALA A 97 -8.166 7.502 -3.678 1.00 0.00 O ATOM 1428 CB ALA A 97 -8.021 10.748 -3.188 1.00 0.00 C ATOM 0 H ALA A 97 -6.630 11.274 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.454 9.270 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.550 10.306 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.369 11.545 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.743 11.159 -3.894 1.00 0.00 H new ATOM 1434 N SER A 98 -8.746 8.752 -5.491 1.00 0.00 N ATOM 1435 CA SER A 98 -9.520 7.825 -6.303 1.00 0.00 C ATOM 1436 C SER A 98 -10.037 6.588 -5.561 1.00 0.00 C ATOM 1437 O SER A 98 -9.787 5.470 -5.991 1.00 0.00 O ATOM 1438 CB SER A 98 -8.578 7.476 -7.456 1.00 0.00 C ATOM 1439 OG SER A 98 -8.069 8.685 -8.001 1.00 0.00 O ATOM 0 H SER A 98 -8.759 9.687 -5.897 1.00 0.00 H new ATOM 0 HA SER A 98 -10.452 8.283 -6.634 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.762 6.847 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.109 6.909 -8.221 1.00 0.00 H new ATOM 0 HG SER A 98 -7.181 8.523 -8.383 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.814 6.786 -4.494 1.00 0.00 N ATOM 1446 CA GLN A 99 -11.292 5.725 -3.612 1.00 0.00 C ATOM 1447 C GLN A 99 -12.102 4.646 -4.340 1.00 0.00 C ATOM 1448 O GLN A 99 -11.744 3.470 -4.304 1.00 0.00 O ATOM 1449 CB GLN A 99 -12.119 6.365 -2.489 1.00 0.00 C ATOM 1450 CG GLN A 99 -11.269 7.268 -1.585 1.00 0.00 C ATOM 1451 CD GLN A 99 -10.257 6.468 -0.775 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -10.625 5.820 0.197 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -8.983 6.489 -1.148 1.00 0.00 N ATOM 0 H GLN A 99 -11.135 7.713 -4.214 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.423 5.208 -3.204 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.929 6.950 -2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.579 5.581 -1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.745 8.004 -2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.920 7.821 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.699 7.036 -1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.289 5.959 -0.622 1.00 0.00 H new ATOM 1462 N ASP A 100 -13.209 5.027 -4.980 1.00 0.00 N ATOM 1463 CA ASP A 100 -14.087 4.096 -5.688 1.00 0.00 C ATOM 1464 C ASP A 100 -13.284 3.289 -6.708 1.00 0.00 C ATOM 1465 O ASP A 100 -13.408 2.069 -6.815 1.00 0.00 O ATOM 1466 CB ASP A 100 -15.206 4.879 -6.390 1.00 0.00 C ATOM 1467 CG ASP A 100 -15.958 5.787 -5.423 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -15.335 6.791 -5.007 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -17.122 5.460 -5.111 1.00 0.00 O ATOM 0 H ASP A 100 -13.523 5.997 -5.021 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.531 3.404 -4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.780 5.479 -7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.905 4.180 -6.850 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.444 4.000 -7.458 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.556 3.425 -8.449 1.00 0.00 C ATOM 1476 C LYS A 101 -10.594 2.438 -7.768 1.00 0.00 C ATOM 1477 O LYS A 101 -10.388 1.339 -8.275 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.843 4.581 -9.158 1.00 0.00 C ATOM 1479 CG LYS A 101 -11.803 5.330 -10.091 1.00 0.00 C ATOM 1480 CD LYS A 101 -11.087 6.508 -10.765 1.00 0.00 C ATOM 1481 CE LYS A 101 -11.983 7.204 -11.797 1.00 0.00 C ATOM 1482 NZ LYS A 101 -13.177 7.806 -11.178 1.00 0.00 N ATOM 0 H LYS A 101 -12.365 5.014 -7.387 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.097 2.849 -9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.437 5.271 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.000 4.196 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.188 4.649 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.660 5.694 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.779 7.228 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.180 6.151 -11.253 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.412 7.978 -12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.292 6.483 -12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.710 8.337 -11.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.780 7.055 -10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.885 8.451 -10.416 1.00 0.00 H new ATOM 1496 N LEU A 102 -10.032 2.807 -6.612 1.00 0.00 N ATOM 1497 CA LEU A 102 -9.149 1.959 -5.818 1.00 0.00 C ATOM 1498 C LEU A 102 -9.875 0.639 -5.542 1.00 0.00 C ATOM 1499 O LEU A 102 -9.382 -0.431 -5.895 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.777 2.673 -4.501 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.393 2.359 -3.922 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -7.314 3.046 -2.553 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -7.121 0.862 -3.769 1.00 0.00 C ATOM 0 H LEU A 102 -10.185 3.726 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.224 1.758 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.842 3.749 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.526 2.419 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.635 2.726 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.341 2.848 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.445 4.121 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.100 2.658 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.124 0.714 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.861 0.424 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.183 0.379 -4.744 1.00 0.00 H new ATOM 1515 N LYS A 103 -11.069 0.724 -4.942 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.888 -0.434 -4.620 1.00 0.00 C ATOM 1517 C LYS A 103 -12.098 -1.292 -5.871 1.00 0.00 C ATOM 1518 O LYS A 103 -11.856 -2.496 -5.840 1.00 0.00 O ATOM 1519 CB LYS A 103 -13.228 0.034 -4.037 1.00 0.00 C ATOM 1520 CG LYS A 103 -13.055 0.687 -2.662 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.392 1.248 -2.161 1.00 0.00 C ATOM 1522 CE LYS A 103 -14.260 1.856 -0.759 1.00 0.00 C ATOM 1523 NZ LYS A 103 -13.340 3.008 -0.739 1.00 0.00 N ATOM 0 H LYS A 103 -11.491 1.611 -4.667 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.381 -1.047 -3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.693 0.744 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.904 -0.817 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.672 -0.045 -1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.318 1.488 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.751 2.008 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.137 0.453 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.242 2.171 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.902 1.094 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.383 3.471 0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.369 2.680 -0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.618 3.687 -1.476 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.528 -0.668 -6.974 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.747 -1.368 -8.232 1.00 0.00 C ATOM 1539 C ALA A 104 -11.482 -2.116 -8.668 1.00 0.00 C ATOM 1540 O ALA A 104 -11.561 -3.282 -9.060 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.193 -0.372 -9.308 1.00 0.00 C ATOM 0 H ALA A 104 -12.731 0.331 -7.014 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.535 -2.108 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.356 -0.900 -10.248 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.120 0.109 -8.997 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.421 0.385 -9.446 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.316 -1.460 -8.607 1.00 0.00 N ATOM 1548 CA LEU A 105 -9.066 -2.103 -8.981 1.00 0.00 C ATOM 1549 C LEU A 105 -8.810 -3.313 -8.083 1.00 0.00 C ATOM 1550 O LEU A 105 -8.606 -4.413 -8.596 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.872 -1.137 -8.939 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.849 -0.056 -10.038 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.396 0.380 -10.266 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -8.435 -0.510 -11.380 1.00 0.00 C ATOM 0 H LEU A 105 -10.220 -0.491 -8.303 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.167 -2.434 -10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.862 -0.642 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.954 -1.720 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.478 0.760 -9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.363 1.145 -11.042 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.988 0.784 -9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.803 -0.479 -10.579 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.380 0.309 -12.097 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.866 -1.360 -11.757 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.476 -0.803 -11.242 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.825 -3.142 -6.757 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.562 -4.277 -5.878 1.00 0.00 C ATOM 1568 C VAL A 106 -9.533 -5.412 -6.209 1.00 0.00 C ATOM 1569 O VAL A 106 -9.115 -6.553 -6.378 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.643 -3.892 -4.392 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.212 -5.096 -3.545 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.693 -2.742 -4.051 1.00 0.00 C ATOM 0 H VAL A 106 -9.010 -2.258 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.540 -4.614 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.669 -3.587 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.265 -4.835 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.875 -5.938 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.189 -5.372 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.780 -2.500 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.668 -3.039 -4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.953 -1.867 -4.646 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.820 -5.088 -6.332 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.856 -6.055 -6.658 1.00 0.00 C ATOM 1584 C ALA A 107 -11.510 -6.855 -7.922 1.00 0.00 C ATOM 1585 O ALA A 107 -11.458 -8.080 -7.857 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.205 -5.344 -6.808 1.00 0.00 C ATOM 0 H ALA A 107 -11.171 -4.138 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.923 -6.770 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.976 -6.075 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.460 -4.846 -5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.140 -4.605 -7.606 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.274 -6.196 -9.064 1.00 0.00 N ATOM 1593 CA LYS A 108 -11.006 -6.925 -10.297 1.00 0.00 C ATOM 1594 C LYS A 108 -9.708 -7.724 -10.221 1.00 0.00 C ATOM 1595 O LYS A 108 -9.669 -8.899 -10.578 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.999 -5.965 -11.495 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.841 -4.967 -11.579 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.910 -4.017 -12.781 1.00 0.00 C ATOM 1599 CE LYS A 108 -11.204 -3.197 -12.795 1.00 0.00 C ATOM 1600 NZ LYS A 108 -11.102 -2.052 -13.719 1.00 0.00 N ATOM 0 H LYS A 108 -11.264 -5.180 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.811 -7.647 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -10.999 -6.562 -12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.932 -5.401 -11.483 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.820 -4.375 -10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.903 -5.520 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.054 -3.342 -12.759 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.837 -4.594 -13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -12.037 -3.834 -13.092 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.420 -2.837 -11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.993 -1.516 -13.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.321 -1.433 -13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.920 -2.399 -14.682 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.636 -7.072 -9.780 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.323 -7.686 -9.734 1.00 0.00 C ATOM 1616 C HIS A 109 -7.308 -8.859 -8.746 1.00 0.00 C ATOM 1617 O HIS A 109 -6.647 -9.862 -9.009 1.00 0.00 O ATOM 1618 CB HIS A 109 -6.272 -6.611 -9.449 1.00 0.00 C ATOM 1619 CG HIS A 109 -6.021 -5.734 -10.654 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.231 -6.185 -11.711 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.522 -4.499 -10.982 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.298 -5.215 -12.628 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -6.048 -4.176 -12.234 1.00 0.00 N ATOM 0 H HIS A 109 -8.658 -6.108 -9.447 1.00 0.00 H new ATOM 0 HA HIS A 109 -7.070 -8.123 -10.700 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.602 -5.994 -8.613 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.339 -7.087 -9.146 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.171 -3.891 -10.369 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.800 -5.263 -13.585 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.231 -3.319 -12.756 1.00 0.00 H new ATOM 1631 N ALA A 110 -8.069 -8.794 -7.648 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.189 -9.892 -6.690 1.00 0.00 C ATOM 1633 C ALA A 110 -9.155 -10.968 -7.210 1.00 0.00 C ATOM 1634 O ALA A 110 -10.036 -11.420 -6.483 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.667 -9.338 -5.343 1.00 0.00 C ATOM 0 H ALA A 110 -8.621 -7.973 -7.400 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.213 -10.360 -6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.758 -10.154 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.947 -8.608 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.637 -8.858 -5.471 1.00 0.00 H new ATOM 1641 N ALA A 111 -8.989 -11.386 -8.468 1.00 0.00 N ATOM 1642 CA ALA A 111 -9.822 -12.405 -9.093 1.00 0.00 C ATOM 1643 C ALA A 111 -9.675 -13.764 -8.401 1.00 0.00 C ATOM 1644 O ALA A 111 -10.607 -14.564 -8.404 1.00 0.00 O ATOM 1645 CB ALA A 111 -9.446 -12.519 -10.573 1.00 0.00 C ATOM 0 H ALA A 111 -8.263 -11.019 -9.084 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.865 -12.106 -8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.065 -13.280 -11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -9.609 -11.560 -11.065 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -8.396 -12.799 -10.661 1.00 0.00 H new