USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 690 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 77 THR OG1 : rot 180:sc= -0.0455 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= -7.94! C(o=-10!,f=-15!) USER MOD Set 2.2: A 68 TYR OH : rot 142:sc= -2.24! USER MOD Set 3.1: A 40 ASN : amide:sc= -5.98! C(o=-6!,f=-7.3!) USER MOD Set 3.2: A 83 THR OG1 : rot 180:sc= -0.0564 USER MOD Set 4.1: A 28 THR OG1 : rot -77:sc= 0.816 USER MOD Set 4.2: A 71 THR OG1 : rot 180:sc= 1.06 USER MOD Set 5.1: A 7 MET CE :methyl 155:sc= -13.4! (180deg=-15.2!) USER MOD Set 5.2: A 16 TYR OH : rot 150:sc= -0.514 USER MOD Set 5.3: A 33 MET CE :methyl -141:sc= -2.28 (180deg=-2.35!) USER MOD Set 5.4: A 39 HIS : no HD1:sc= -6.28! C(o=-31!,f=-39!) USER MOD Set 5.5: A 82 CYS SG : rot -119:sc= -0.143 USER MOD Set 5.6: A 85 HIS :FLIP no HD1:sc= -1.88 F(o=-34,f=-31) USER MOD Set 5.7: A 90 MET CE :methyl -171:sc= -6.14! (180deg=-1.92!) USER MOD Single : A 2 SER OG : rot -26:sc= 0.177 USER MOD Single : A 4 GLN : amide:sc= -0.285 K(o=-0.29,f=-2.4!) USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.888) USER MOD Single : A 9 THR OG1 : rot -69:sc= -1.68 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc=-0.00784 USER MOD Single : A 34 ASN : amide:sc= -3.85 K(o=-3.9,f=-13!) USER MOD Single : A 35 LYS NZ :NH3+ -157:sc= 0.582 (180deg=-0.256) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 58 THR OG1 : rot -69:sc= 1.04 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -30:sc= -4.17! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 19:sc= -0.164! USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc=-0.00263 USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.03! USER MOD ----------------------------------------------------------------- ATOM 11 N SER A 2 -11.375 -9.339 -3.134 1.00 0.00 N ATOM 12 CA SER A 2 -10.947 -8.086 -3.732 1.00 0.00 C ATOM 13 C SER A 2 -11.162 -6.935 -2.746 1.00 0.00 C ATOM 14 O SER A 2 -12.297 -6.548 -2.476 1.00 0.00 O ATOM 15 CB SER A 2 -11.696 -7.813 -5.037 1.00 0.00 C ATOM 16 OG SER A 2 -13.102 -8.003 -4.896 1.00 0.00 O ATOM 0 HA SER A 2 -9.885 -8.164 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.499 -6.791 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.317 -8.473 -5.817 1.00 0.00 H new ATOM 0 HG SER A 2 -13.275 -8.642 -4.173 1.00 0.00 H new ATOM 22 N VAL A 3 -10.053 -6.421 -2.235 1.00 0.00 N ATOM 23 CA VAL A 3 -10.104 -5.323 -1.285 1.00 0.00 C ATOM 24 C VAL A 3 -9.451 -4.087 -1.905 1.00 0.00 C ATOM 25 O VAL A 3 -8.943 -4.144 -3.024 1.00 0.00 O ATOM 26 CB VAL A 3 -9.457 -5.743 0.036 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.418 -6.589 0.874 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.144 -6.487 -0.209 1.00 0.00 C ATOM 0 H VAL A 3 -9.113 -6.745 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.138 -5.064 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.230 -4.838 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.933 -6.874 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.315 -6.010 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.692 -7.486 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.705 -6.774 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.337 -7.380 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.452 -5.837 -0.746 1.00 0.00 H new ATOM 38 N GLN A 4 -9.485 -2.997 -1.151 1.00 0.00 N ATOM 39 CA GLN A 4 -8.903 -1.750 -1.613 1.00 0.00 C ATOM 40 C GLN A 4 -8.285 -0.986 -0.439 1.00 0.00 C ATOM 41 O GLN A 4 -8.645 -1.216 0.714 1.00 0.00 O ATOM 42 CB GLN A 4 -9.942 -0.893 -2.337 1.00 0.00 C ATOM 43 CG GLN A 4 -11.248 -0.827 -1.542 1.00 0.00 C ATOM 44 CD GLN A 4 -11.462 0.569 -0.953 1.00 0.00 C ATOM 45 OE1 GLN A 4 -10.586 1.418 -0.970 1.00 0.00 O ATOM 46 NE2 GLN A 4 -12.671 0.757 -0.432 1.00 0.00 N ATOM 0 H GLN A 4 -9.907 -2.953 -0.223 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.113 -1.984 -2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.550 0.113 -2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.135 -1.307 -3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.086 -1.084 -2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.227 -1.565 -0.740 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.358 0.003 -0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.912 1.655 -0.013 1.00 0.00 H new ATOM 55 N ILE A 5 -7.366 -0.093 -0.773 1.00 0.00 N ATOM 56 CA ILE A 5 -6.694 0.706 0.238 1.00 0.00 C ATOM 57 C ILE A 5 -6.676 2.171 -0.204 1.00 0.00 C ATOM 58 O ILE A 5 -6.212 2.485 -1.300 1.00 0.00 O ATOM 59 CB ILE A 5 -5.307 0.136 0.538 1.00 0.00 C ATOM 60 CG1 ILE A 5 -5.231 -0.397 1.970 1.00 0.00 C ATOM 61 CG2 ILE A 5 -4.217 1.170 0.253 1.00 0.00 C ATOM 62 CD1 ILE A 5 -3.787 -0.413 2.474 1.00 0.00 C ATOM 0 H ILE A 5 -7.070 0.095 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.240 0.664 1.181 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.133 -0.708 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.842 0.224 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.645 -1.405 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.240 0.740 0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.256 1.460 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.377 2.049 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.762 -0.796 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.184 -1.054 1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.384 0.600 2.457 1.00 0.00 H new ATOM 74 N LYS A 6 -7.184 3.026 0.670 1.00 0.00 N ATOM 75 CA LYS A 6 -7.231 4.450 0.383 1.00 0.00 C ATOM 76 C LYS A 6 -6.034 5.138 1.043 1.00 0.00 C ATOM 77 O LYS A 6 -5.857 5.053 2.256 1.00 0.00 O ATOM 78 CB LYS A 6 -8.582 5.036 0.796 1.00 0.00 C ATOM 79 CG LYS A 6 -9.496 5.217 -0.418 1.00 0.00 C ATOM 80 CD LYS A 6 -10.900 5.646 0.013 1.00 0.00 C ATOM 81 CE LYS A 6 -11.598 6.432 -1.100 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.114 5.512 -2.139 1.00 0.00 N ATOM 0 H LYS A 6 -7.567 2.761 1.577 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.149 4.625 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.061 4.378 1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.430 5.997 1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.073 5.965 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.553 4.283 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.491 4.766 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.837 6.259 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.419 7.015 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.900 7.140 -1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.097 5.988 -3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.517 4.661 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.091 5.240 -1.908 1.00 0.00 H new ATOM 96 N MET A 7 -5.245 5.806 0.214 1.00 0.00 N ATOM 97 CA MET A 7 -4.071 6.508 0.701 1.00 0.00 C ATOM 98 C MET A 7 -4.425 7.933 1.133 1.00 0.00 C ATOM 99 O MET A 7 -4.554 8.825 0.296 1.00 0.00 O ATOM 100 CB MET A 7 -3.010 6.558 -0.401 1.00 0.00 C ATOM 101 CG MET A 7 -2.910 5.213 -1.126 1.00 0.00 C ATOM 102 SD MET A 7 -1.297 5.039 -1.869 1.00 0.00 S ATOM 103 CE MET A 7 -0.266 5.285 -0.432 1.00 0.00 C ATOM 0 H MET A 7 -5.396 5.876 -0.792 1.00 0.00 H new ATOM 0 HA MET A 7 -3.683 5.971 1.566 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.259 7.343 -1.115 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.043 6.815 0.031 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.086 4.398 -0.424 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.682 5.145 -1.893 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.695 4.794 -0.585 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.107 6.352 -0.277 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.755 4.860 0.444 1.00 0.00 H new ATOM 113 N GLY A 8 -4.570 8.102 2.439 1.00 0.00 N ATOM 114 CA GLY A 8 -4.905 9.403 2.993 1.00 0.00 C ATOM 115 C GLY A 8 -6.280 9.375 3.664 1.00 0.00 C ATOM 116 O GLY A 8 -7.168 8.638 3.237 1.00 0.00 O ATOM 0 H GLY A 8 -4.462 7.359 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.148 9.699 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.898 10.152 2.201 1.00 0.00 H new ATOM 120 N THR A 9 -6.413 10.188 4.701 1.00 0.00 N ATOM 121 CA THR A 9 -7.665 10.265 5.436 1.00 0.00 C ATOM 122 C THR A 9 -8.311 11.639 5.245 1.00 0.00 C ATOM 123 O THR A 9 -7.643 12.593 4.848 1.00 0.00 O ATOM 124 CB THR A 9 -7.376 9.927 6.900 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.106 10.522 7.149 1.00 0.00 O ATOM 126 CG2 THR A 9 -7.138 8.432 7.119 1.00 0.00 C ATOM 0 H THR A 9 -5.675 10.799 5.050 1.00 0.00 H new ATOM 0 HA THR A 9 -8.390 9.544 5.059 1.00 0.00 H new ATOM 0 HB THR A 9 -8.210 10.256 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.414 10.035 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.937 8.246 8.174 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.023 7.874 6.814 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.283 8.109 6.525 1.00 0.00 H new ATOM 134 N ASP A 10 -9.601 11.697 5.537 1.00 0.00 N ATOM 135 CA ASP A 10 -10.344 12.939 5.404 1.00 0.00 C ATOM 136 C ASP A 10 -9.772 13.977 6.371 1.00 0.00 C ATOM 137 O ASP A 10 -10.079 15.164 6.265 1.00 0.00 O ATOM 138 CB ASP A 10 -11.822 12.735 5.746 1.00 0.00 C ATOM 139 CG ASP A 10 -12.582 14.013 6.107 1.00 0.00 C ATOM 140 OD1 ASP A 10 -13.111 14.643 5.166 1.00 0.00 O ATOM 141 OD2 ASP A 10 -12.619 14.330 7.316 1.00 0.00 O ATOM 0 H ASP A 10 -10.152 10.904 5.866 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.256 13.276 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.315 12.264 4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.894 12.039 6.581 1.00 0.00 H new ATOM 146 N LYS A 11 -8.951 13.493 7.291 1.00 0.00 N ATOM 147 CA LYS A 11 -8.333 14.364 8.276 1.00 0.00 C ATOM 148 C LYS A 11 -6.992 14.864 7.738 1.00 0.00 C ATOM 149 O LYS A 11 -6.023 14.982 8.487 1.00 0.00 O ATOM 150 CB LYS A 11 -8.228 13.656 9.628 1.00 0.00 C ATOM 151 CG LYS A 11 -7.147 12.572 9.596 1.00 0.00 C ATOM 152 CD LYS A 11 -7.195 11.713 10.861 1.00 0.00 C ATOM 153 CE LYS A 11 -7.835 10.353 10.576 1.00 0.00 C ATOM 154 NZ LYS A 11 -8.067 9.615 11.838 1.00 0.00 N ATOM 0 H LYS A 11 -8.699 12.508 7.375 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.955 15.242 8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.996 14.383 10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.189 13.209 9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.285 11.941 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.165 13.035 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.185 11.570 11.246 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.762 12.231 11.635 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.780 10.492 10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.188 9.770 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.502 8.694 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.160 9.466 12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.702 10.165 12.450 1.00 0.00 H new ATOM 168 N TYR A 12 -6.978 15.145 6.442 1.00 0.00 N ATOM 169 CA TYR A 12 -5.770 15.630 5.795 1.00 0.00 C ATOM 170 C TYR A 12 -4.529 14.935 6.358 1.00 0.00 C ATOM 171 O TYR A 12 -3.461 15.537 6.445 1.00 0.00 O ATOM 172 CB TYR A 12 -5.691 17.125 6.116 1.00 0.00 C ATOM 173 CG TYR A 12 -5.917 18.033 4.905 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.851 18.410 4.116 1.00 0.00 C ATOM 175 CD2 TYR A 12 -7.190 18.476 4.602 1.00 0.00 C ATOM 176 CE1 TYR A 12 -5.064 19.265 2.977 1.00 0.00 C ATOM 177 CE2 TYR A 12 -7.403 19.330 3.463 1.00 0.00 C ATOM 178 CZ TYR A 12 -6.329 19.682 2.707 1.00 0.00 C ATOM 179 OH TYR A 12 -6.530 20.490 1.631 1.00 0.00 O ATOM 0 H TYR A 12 -7.783 15.046 5.824 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.803 15.433 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.433 17.362 6.879 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.713 17.343 6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.856 18.064 4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.025 18.182 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.237 19.568 2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.393 19.683 3.215 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.483 20.708 1.559 1.00 0.00 H new ATOM 189 N ALA A 13 -4.711 13.675 6.725 1.00 0.00 N ATOM 190 CA ALA A 13 -3.620 12.890 7.276 1.00 0.00 C ATOM 191 C ALA A 13 -3.243 11.784 6.288 1.00 0.00 C ATOM 192 O ALA A 13 -4.060 10.919 5.978 1.00 0.00 O ATOM 193 CB ALA A 13 -4.028 12.336 8.643 1.00 0.00 C ATOM 0 H ALA A 13 -5.599 13.178 6.651 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.738 13.513 7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.209 11.747 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.257 13.162 9.317 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.909 11.704 8.531 1.00 0.00 H new ATOM 199 N PRO A 14 -1.972 11.850 5.809 1.00 0.00 N ATOM 200 CA PRO A 14 -1.477 10.864 4.863 1.00 0.00 C ATOM 201 C PRO A 14 -1.182 9.535 5.561 1.00 0.00 C ATOM 202 O PRO A 14 -0.119 9.364 6.156 1.00 0.00 O ATOM 203 CB PRO A 14 -0.241 11.499 4.246 1.00 0.00 C ATOM 204 CG PRO A 14 0.176 12.610 5.196 1.00 0.00 C ATOM 205 CD PRO A 14 -0.976 12.860 6.154 1.00 0.00 C ATOM 0 HA PRO A 14 -2.207 10.614 4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.557 10.766 4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.459 11.895 3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.074 12.326 5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.415 13.517 4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.656 12.762 7.191 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.377 13.867 6.037 1.00 0.00 H new ATOM 213 N LEU A 15 -2.141 8.627 5.464 1.00 0.00 N ATOM 214 CA LEU A 15 -1.998 7.317 6.077 1.00 0.00 C ATOM 215 C LEU A 15 -2.765 6.284 5.250 1.00 0.00 C ATOM 216 O LEU A 15 -3.749 6.618 4.591 1.00 0.00 O ATOM 217 CB LEU A 15 -2.422 7.365 7.547 1.00 0.00 C ATOM 218 CG LEU A 15 -3.858 7.819 7.816 1.00 0.00 C ATOM 219 CD1 LEU A 15 -4.719 6.653 8.305 1.00 0.00 C ATOM 220 CD2 LEU A 15 -3.887 9.000 8.789 1.00 0.00 C ATOM 0 H LEU A 15 -3.021 8.772 4.970 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.952 7.010 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.290 6.371 7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.745 8.034 8.078 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.288 8.165 6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.735 7.003 8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.736 5.870 7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.300 6.254 9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.920 9.303 8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.432 8.704 9.734 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.331 9.835 8.364 1.00 0.00 H new ATOM 232 N TYR A 16 -2.286 5.051 5.311 1.00 0.00 N ATOM 233 CA TYR A 16 -2.913 3.966 4.575 1.00 0.00 C ATOM 234 C TYR A 16 -4.188 3.493 5.278 1.00 0.00 C ATOM 235 O TYR A 16 -4.187 3.270 6.488 1.00 0.00 O ATOM 236 CB TYR A 16 -1.898 2.822 4.560 1.00 0.00 C ATOM 237 CG TYR A 16 -0.834 2.949 3.467 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.192 2.824 2.140 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.481 3.186 3.809 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.192 2.943 1.111 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.482 3.304 2.779 1.00 0.00 C ATOM 242 CZ TYR A 16 1.096 3.177 1.481 1.00 0.00 C ATOM 243 OH TYR A 16 2.041 3.289 0.509 1.00 0.00 O ATOM 0 H TYR A 16 -1.470 4.778 5.859 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.188 4.292 3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.404 2.776 5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.430 1.880 4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.222 2.637 1.874 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.760 3.283 4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.458 2.849 0.069 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.515 3.489 3.032 1.00 0.00 H new ATOM 0 HH TYR A 16 2.751 3.893 0.811 1.00 0.00 H new ATOM 253 N GLU A 17 -5.244 3.353 4.490 1.00 0.00 N ATOM 254 CA GLU A 17 -6.521 2.910 5.022 1.00 0.00 C ATOM 255 C GLU A 17 -7.109 1.806 4.140 1.00 0.00 C ATOM 256 O GLU A 17 -7.167 1.947 2.919 1.00 0.00 O ATOM 257 CB GLU A 17 -7.495 4.082 5.156 1.00 0.00 C ATOM 258 CG GLU A 17 -8.410 3.898 6.369 1.00 0.00 C ATOM 259 CD GLU A 17 -9.305 5.122 6.571 1.00 0.00 C ATOM 260 OE1 GLU A 17 -9.874 5.583 5.558 1.00 0.00 O ATOM 261 OE2 GLU A 17 -9.399 5.570 7.734 1.00 0.00 O ATOM 0 H GLU A 17 -5.241 3.539 3.487 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.356 2.502 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.938 5.013 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.097 4.165 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.027 3.010 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.807 3.732 7.262 1.00 0.00 H new ATOM 268 N PRO A 18 -7.540 0.704 4.809 1.00 0.00 N ATOM 269 CA PRO A 18 -7.434 0.618 6.256 1.00 0.00 C ATOM 270 C PRO A 18 -5.990 0.356 6.686 1.00 0.00 C ATOM 271 O PRO A 18 -5.184 -0.138 5.897 1.00 0.00 O ATOM 272 CB PRO A 18 -8.386 -0.500 6.654 1.00 0.00 C ATOM 273 CG PRO A 18 -8.635 -1.305 5.389 1.00 0.00 C ATOM 274 CD PRO A 18 -8.138 -0.485 4.209 1.00 0.00 C ATOM 0 HA PRO A 18 -7.704 1.549 6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.951 -1.124 7.435 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.318 -0.097 7.050 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.114 -2.261 5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.697 -1.526 5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.408 -1.041 3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.955 -0.221 3.538 1.00 0.00 H new ATOM 282 N LYS A 19 -5.705 0.696 7.933 1.00 0.00 N ATOM 283 CA LYS A 19 -4.372 0.503 8.477 1.00 0.00 C ATOM 284 C LYS A 19 -3.941 -0.948 8.257 1.00 0.00 C ATOM 285 O LYS A 19 -2.784 -1.214 7.937 1.00 0.00 O ATOM 286 CB LYS A 19 -4.321 0.945 9.942 1.00 0.00 C ATOM 287 CG LYS A 19 -3.486 2.217 10.102 1.00 0.00 C ATOM 288 CD LYS A 19 -2.035 1.880 10.450 1.00 0.00 C ATOM 289 CE LYS A 19 -1.723 2.237 11.904 1.00 0.00 C ATOM 290 NZ LYS A 19 -0.643 3.246 11.970 1.00 0.00 N ATOM 0 H LYS A 19 -6.376 1.105 8.584 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.652 1.132 7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.333 1.121 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.896 0.148 10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.517 2.795 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.916 2.842 10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.855 0.817 10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.362 2.423 9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.619 2.623 12.390 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.425 1.341 12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.444 3.477 12.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.216 2.865 11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.941 4.107 11.468 1.00 0.00 H new ATOM 304 N ALA A 20 -4.896 -1.849 8.439 1.00 0.00 N ATOM 305 CA ALA A 20 -4.629 -3.266 8.265 1.00 0.00 C ATOM 306 C ALA A 20 -5.617 -3.845 7.248 1.00 0.00 C ATOM 307 O ALA A 20 -6.758 -3.395 7.162 1.00 0.00 O ATOM 308 CB ALA A 20 -4.708 -3.972 9.620 1.00 0.00 C ATOM 0 H ALA A 20 -5.855 -1.625 8.705 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.623 -3.421 7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.508 -5.035 9.488 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.968 -3.544 10.297 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.705 -3.840 10.041 1.00 0.00 H new ATOM 314 N LEU A 21 -5.141 -4.834 6.506 1.00 0.00 N ATOM 315 CA LEU A 21 -5.968 -5.478 5.499 1.00 0.00 C ATOM 316 C LEU A 21 -5.668 -6.979 5.485 1.00 0.00 C ATOM 317 O LEU A 21 -4.517 -7.387 5.626 1.00 0.00 O ATOM 318 CB LEU A 21 -5.783 -4.801 4.140 1.00 0.00 C ATOM 319 CG LEU A 21 -6.196 -5.625 2.918 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.643 -6.103 3.044 1.00 0.00 C ATOM 321 CD2 LEU A 21 -5.962 -4.842 1.625 1.00 0.00 C ATOM 0 H LEU A 21 -4.194 -5.205 6.582 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.024 -5.365 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.355 -3.873 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.733 -4.529 4.032 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.566 -6.513 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.912 -6.686 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.745 -6.723 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.305 -5.241 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.264 -5.450 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.551 -3.925 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.905 -4.592 1.537 1.00 0.00 H new ATOM 333 N SER A 22 -6.725 -7.759 5.313 1.00 0.00 N ATOM 334 CA SER A 22 -6.590 -9.205 5.278 1.00 0.00 C ATOM 335 C SER A 22 -7.304 -9.768 4.047 1.00 0.00 C ATOM 336 O SER A 22 -8.358 -9.270 3.655 1.00 0.00 O ATOM 337 CB SER A 22 -7.149 -9.842 6.553 1.00 0.00 C ATOM 338 OG SER A 22 -6.777 -11.212 6.672 1.00 0.00 O ATOM 0 H SER A 22 -7.679 -7.417 5.196 1.00 0.00 H new ATOM 0 HA SER A 22 -5.529 -9.448 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.788 -9.291 7.422 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.236 -9.760 6.553 1.00 0.00 H new ATOM 0 HG SER A 22 -7.151 -11.582 7.499 1.00 0.00 H new ATOM 344 N ILE A 23 -6.701 -10.798 3.472 1.00 0.00 N ATOM 345 CA ILE A 23 -7.266 -11.434 2.295 1.00 0.00 C ATOM 346 C ILE A 23 -6.802 -12.891 2.233 1.00 0.00 C ATOM 347 O ILE A 23 -6.139 -13.373 3.151 1.00 0.00 O ATOM 348 CB ILE A 23 -6.929 -10.628 1.038 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.448 -10.760 0.681 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.354 -9.166 1.194 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.202 -10.403 -0.786 1.00 0.00 C ATOM 0 H ILE A 23 -5.826 -11.208 3.800 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.354 -11.449 2.356 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.498 -11.042 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.856 -10.106 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.114 -11.780 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.103 -8.615 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.430 -9.116 1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.832 -8.724 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.141 -10.505 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.776 -11.074 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.514 -9.374 -0.967 1.00 0.00 H new ATOM 363 N SER A 24 -7.167 -13.549 1.144 1.00 0.00 N ATOM 364 CA SER A 24 -6.795 -14.941 0.951 1.00 0.00 C ATOM 365 C SER A 24 -6.016 -15.099 -0.356 1.00 0.00 C ATOM 366 O SER A 24 -5.929 -14.161 -1.148 1.00 0.00 O ATOM 367 CB SER A 24 -8.030 -15.845 0.946 1.00 0.00 C ATOM 368 OG SER A 24 -9.082 -15.307 0.149 1.00 0.00 O ATOM 0 H SER A 24 -7.716 -13.145 0.386 1.00 0.00 H new ATOM 0 HA SER A 24 -6.159 -15.244 1.783 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.757 -16.830 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.383 -15.982 1.968 1.00 0.00 H new ATOM 0 HG SER A 24 -9.851 -15.914 0.170 1.00 0.00 H new ATOM 374 N ALA A 25 -5.471 -16.292 -0.541 1.00 0.00 N ATOM 375 CA ALA A 25 -4.702 -16.585 -1.740 1.00 0.00 C ATOM 376 C ALA A 25 -5.634 -16.583 -2.952 1.00 0.00 C ATOM 377 O ALA A 25 -6.357 -17.551 -3.185 1.00 0.00 O ATOM 378 CB ALA A 25 -3.974 -17.919 -1.565 1.00 0.00 C ATOM 0 H ALA A 25 -5.546 -17.067 0.118 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.944 -15.820 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.397 -18.139 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.302 -17.857 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.703 -18.712 -1.398 1.00 0.00 H new ATOM 384 N GLY A 26 -5.589 -15.485 -3.691 1.00 0.00 N ATOM 385 CA GLY A 26 -6.421 -15.345 -4.875 1.00 0.00 C ATOM 386 C GLY A 26 -7.218 -14.040 -4.832 1.00 0.00 C ATOM 387 O GLY A 26 -7.925 -13.708 -5.783 1.00 0.00 O ATOM 0 H GLY A 26 -4.990 -14.684 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.796 -15.365 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.105 -16.191 -4.946 1.00 0.00 H new ATOM 391 N ASP A 27 -7.080 -13.335 -3.719 1.00 0.00 N ATOM 392 CA ASP A 27 -7.779 -12.073 -3.540 1.00 0.00 C ATOM 393 C ASP A 27 -6.988 -10.956 -4.222 1.00 0.00 C ATOM 394 O ASP A 27 -5.897 -11.188 -4.740 1.00 0.00 O ATOM 395 CB ASP A 27 -7.910 -11.722 -2.056 1.00 0.00 C ATOM 396 CG ASP A 27 -9.082 -12.390 -1.335 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.542 -13.434 -1.845 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.491 -11.841 -0.289 1.00 0.00 O ATOM 0 H ASP A 27 -6.494 -13.613 -2.932 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.773 -12.173 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.986 -11.999 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.013 -10.641 -1.961 1.00 0.00 H new ATOM 403 N THR A 28 -7.571 -9.765 -4.202 1.00 0.00 N ATOM 404 CA THR A 28 -6.934 -8.611 -4.813 1.00 0.00 C ATOM 405 C THR A 28 -6.913 -7.434 -3.835 1.00 0.00 C ATOM 406 O THR A 28 -7.722 -7.377 -2.910 1.00 0.00 O ATOM 407 CB THR A 28 -7.668 -8.302 -6.119 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.680 -9.547 -6.813 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.869 -7.372 -7.034 1.00 0.00 C ATOM 0 H THR A 28 -8.477 -9.575 -3.773 1.00 0.00 H new ATOM 0 HA THR A 28 -5.890 -8.815 -5.051 1.00 0.00 H new ATOM 0 HB THR A 28 -8.633 -7.848 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.798 -9.710 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.435 -7.185 -7.947 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.684 -6.428 -6.522 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.917 -7.840 -7.287 1.00 0.00 H new ATOM 417 N VAL A 29 -5.978 -6.525 -4.072 1.00 0.00 N ATOM 418 CA VAL A 29 -5.840 -5.354 -3.224 1.00 0.00 C ATOM 419 C VAL A 29 -5.659 -4.113 -4.102 1.00 0.00 C ATOM 420 O VAL A 29 -4.604 -3.923 -4.702 1.00 0.00 O ATOM 421 CB VAL A 29 -4.693 -5.557 -2.232 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.573 -4.365 -1.281 1.00 0.00 C ATOM 423 CG2 VAL A 29 -4.865 -6.864 -1.456 1.00 0.00 C ATOM 0 H VAL A 29 -5.309 -6.577 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.742 -5.204 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.766 -5.625 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.750 -4.535 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.381 -3.459 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.502 -4.250 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.037 -6.984 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.804 -6.838 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.877 -7.702 -2.153 1.00 0.00 H new ATOM 433 N GLU A 30 -6.706 -3.302 -4.146 1.00 0.00 N ATOM 434 CA GLU A 30 -6.676 -2.085 -4.940 1.00 0.00 C ATOM 435 C GLU A 30 -6.129 -0.923 -4.108 1.00 0.00 C ATOM 436 O GLU A 30 -6.322 -0.877 -2.895 1.00 0.00 O ATOM 437 CB GLU A 30 -8.065 -1.757 -5.492 1.00 0.00 C ATOM 438 CG GLU A 30 -8.114 -0.328 -6.039 1.00 0.00 C ATOM 439 CD GLU A 30 -8.533 0.661 -4.949 1.00 0.00 C ATOM 440 OE1 GLU A 30 -9.758 0.858 -4.802 1.00 0.00 O ATOM 441 OE2 GLU A 30 -7.618 1.198 -4.288 1.00 0.00 O ATOM 0 H GLU A 30 -7.580 -3.464 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.011 -2.244 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.322 -2.462 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.810 -1.875 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.135 -0.051 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.816 -0.277 -6.871 1.00 0.00 H new ATOM 448 N PHE A 31 -5.455 -0.012 -4.796 1.00 0.00 N ATOM 449 CA PHE A 31 -4.877 1.147 -4.136 1.00 0.00 C ATOM 450 C PHE A 31 -5.333 2.444 -4.808 1.00 0.00 C ATOM 451 O PHE A 31 -5.122 2.634 -6.005 1.00 0.00 O ATOM 452 CB PHE A 31 -3.358 1.025 -4.267 1.00 0.00 C ATOM 453 CG PHE A 31 -2.732 0.001 -3.317 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.603 -1.295 -3.704 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.303 0.389 -2.086 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.022 -2.245 -2.823 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.721 -0.560 -1.205 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.594 -1.857 -1.592 1.00 0.00 C ATOM 0 H PHE A 31 -5.296 -0.053 -5.803 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.194 1.178 -3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.113 0.751 -5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.908 2.000 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.942 -1.603 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.405 1.419 -1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.920 -3.275 -3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.379 -0.252 -0.228 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.153 -2.580 -0.921 1.00 0.00 H new ATOM 468 N VAL A 32 -5.950 3.301 -4.009 1.00 0.00 N ATOM 469 CA VAL A 32 -6.437 4.575 -4.510 1.00 0.00 C ATOM 470 C VAL A 32 -5.914 5.704 -3.619 1.00 0.00 C ATOM 471 O VAL A 32 -5.880 5.569 -2.397 1.00 0.00 O ATOM 472 CB VAL A 32 -7.964 4.550 -4.609 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.606 4.854 -3.254 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.461 5.520 -5.682 1.00 0.00 C ATOM 0 H VAL A 32 -6.124 3.138 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.062 4.757 -5.517 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.264 3.544 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.691 4.830 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.291 4.106 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.294 5.843 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.549 5.482 -5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.144 6.533 -5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.044 5.238 -6.649 1.00 0.00 H new ATOM 484 N MET A 33 -5.519 6.790 -4.267 1.00 0.00 N ATOM 485 CA MET A 33 -4.999 7.941 -3.548 1.00 0.00 C ATOM 486 C MET A 33 -6.133 8.869 -3.106 1.00 0.00 C ATOM 487 O MET A 33 -6.804 9.477 -3.939 1.00 0.00 O ATOM 488 CB MET A 33 -4.032 8.712 -4.449 1.00 0.00 C ATOM 489 CG MET A 33 -2.603 8.187 -4.294 1.00 0.00 C ATOM 490 SD MET A 33 -1.564 8.854 -5.583 1.00 0.00 S ATOM 491 CE MET A 33 -1.501 10.565 -5.075 1.00 0.00 C ATOM 0 H MET A 33 -5.548 6.897 -5.281 1.00 0.00 H new ATOM 0 HA MET A 33 -4.477 7.585 -2.660 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.346 8.620 -5.489 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.063 9.772 -4.199 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.208 8.466 -3.317 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.600 7.098 -4.340 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.545 11.208 -5.954 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.347 10.783 -4.424 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.572 10.751 -4.536 1.00 0.00 H new ATOM 501 N ASN A 34 -6.313 8.948 -1.795 1.00 0.00 N ATOM 502 CA ASN A 34 -7.354 9.792 -1.232 1.00 0.00 C ATOM 503 C ASN A 34 -6.962 11.261 -1.404 1.00 0.00 C ATOM 504 O ASN A 34 -7.600 11.992 -2.160 1.00 0.00 O ATOM 505 CB ASN A 34 -7.532 9.521 0.263 1.00 0.00 C ATOM 506 CG ASN A 34 -8.868 8.828 0.539 1.00 0.00 C ATOM 507 OD1 ASN A 34 -9.310 7.960 -0.195 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.484 9.259 1.636 1.00 0.00 N ATOM 0 H ASN A 34 -5.756 8.442 -1.107 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.286 9.572 -1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.714 8.898 0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.484 10.460 0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.382 8.859 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.058 9.989 2.206 1.00 0.00 H new ATOM 515 N LYS A 35 -5.916 11.648 -0.689 1.00 0.00 N ATOM 516 CA LYS A 35 -5.432 13.017 -0.753 1.00 0.00 C ATOM 517 C LYS A 35 -4.051 13.096 -0.099 1.00 0.00 C ATOM 518 O LYS A 35 -3.404 12.073 0.118 1.00 0.00 O ATOM 519 CB LYS A 35 -6.457 13.976 -0.144 1.00 0.00 C ATOM 520 CG LYS A 35 -6.523 13.815 1.376 1.00 0.00 C ATOM 521 CD LYS A 35 -7.891 13.285 1.813 1.00 0.00 C ATOM 522 CE LYS A 35 -8.809 14.429 2.246 1.00 0.00 C ATOM 523 NZ LYS A 35 -8.336 15.018 3.519 1.00 0.00 N ATOM 0 H LYS A 35 -5.390 11.038 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.312 13.331 -1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.192 15.003 -0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.439 13.786 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.741 13.131 1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.331 14.775 1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.351 12.735 0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.767 12.582 2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.835 15.195 1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.828 14.061 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.128 15.495 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.964 14.265 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.583 15.709 3.323 1.00 0.00 H new ATOM 537 N VAL A 36 -3.641 14.321 0.196 1.00 0.00 N ATOM 538 CA VAL A 36 -2.348 14.547 0.820 1.00 0.00 C ATOM 539 C VAL A 36 -1.284 13.725 0.091 1.00 0.00 C ATOM 540 O VAL A 36 -0.616 12.889 0.698 1.00 0.00 O ATOM 541 CB VAL A 36 -2.427 14.232 2.316 1.00 0.00 C ATOM 542 CG1 VAL A 36 -2.843 12.777 2.548 1.00 0.00 C ATOM 543 CG2 VAL A 36 -1.100 14.540 3.011 1.00 0.00 C ATOM 0 H VAL A 36 -4.181 15.167 0.015 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.062 15.595 0.737 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.192 14.873 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.892 12.579 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.822 12.603 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.112 12.112 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.183 14.308 4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.308 13.936 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.862 15.597 2.888 1.00 0.00 H new ATOM 553 N GLY A 37 -1.158 13.992 -1.201 1.00 0.00 N ATOM 554 CA GLY A 37 -0.185 13.287 -2.019 1.00 0.00 C ATOM 555 C GLY A 37 1.138 14.053 -2.080 1.00 0.00 C ATOM 556 O GLY A 37 1.324 15.035 -1.363 1.00 0.00 O ATOM 0 H GLY A 37 -1.713 14.686 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.014 12.291 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.579 13.155 -3.026 1.00 0.00 H new ATOM 560 N PRO A 38 2.046 13.561 -2.964 1.00 0.00 N ATOM 561 CA PRO A 38 1.745 12.392 -3.775 1.00 0.00 C ATOM 562 C PRO A 38 1.815 11.113 -2.938 1.00 0.00 C ATOM 563 O PRO A 38 1.937 11.172 -1.715 1.00 0.00 O ATOM 564 CB PRO A 38 2.765 12.422 -4.901 1.00 0.00 C ATOM 565 CG PRO A 38 3.885 13.335 -4.426 1.00 0.00 C ATOM 566 CD PRO A 38 3.379 14.102 -3.215 1.00 0.00 C ATOM 0 HA PRO A 38 0.731 12.405 -4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.141 11.421 -5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.319 12.798 -5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.769 12.752 -4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.178 14.023 -5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.033 13.959 -2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.341 15.173 -3.412 1.00 0.00 H new ATOM 574 N HIS A 39 1.735 9.986 -3.631 1.00 0.00 N ATOM 575 CA HIS A 39 1.788 8.695 -2.968 1.00 0.00 C ATOM 576 C HIS A 39 2.510 7.686 -3.864 1.00 0.00 C ATOM 577 O HIS A 39 3.079 8.058 -4.889 1.00 0.00 O ATOM 578 CB HIS A 39 0.386 8.233 -2.565 1.00 0.00 C ATOM 579 CG HIS A 39 -0.289 9.128 -1.554 1.00 0.00 C ATOM 580 ND1 HIS A 39 -0.175 8.936 -0.188 1.00 0.00 N ATOM 581 CD2 HIS A 39 -1.085 10.222 -1.723 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.876 9.877 0.427 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.439 10.674 -0.526 1.00 0.00 N ATOM 0 H HIS A 39 1.634 9.941 -4.645 1.00 0.00 H new ATOM 0 HA HIS A 39 2.359 8.781 -2.044 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.237 8.176 -3.458 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.450 7.225 -2.156 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.378 10.649 -2.671 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.983 9.993 1.495 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.034 11.483 -0.348 1.00 0.00 H new ATOM 591 N ASN A 40 2.463 6.431 -3.445 1.00 0.00 N ATOM 592 CA ASN A 40 3.105 5.366 -4.197 1.00 0.00 C ATOM 593 C ASN A 40 2.890 4.035 -3.473 1.00 0.00 C ATOM 594 O ASN A 40 1.927 3.880 -2.725 1.00 0.00 O ATOM 595 CB ASN A 40 4.612 5.605 -4.312 1.00 0.00 C ATOM 596 CG ASN A 40 5.313 5.328 -2.980 1.00 0.00 C ATOM 597 OD1 ASN A 40 4.690 5.100 -1.956 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.641 5.358 -3.052 1.00 0.00 N ATOM 0 H ASN A 40 1.990 6.127 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 40 2.666 5.345 -5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.028 4.961 -5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.799 6.634 -4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.201 5.184 -2.217 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.099 5.555 -3.942 1.00 0.00 H new ATOM 605 N VAL A 41 3.804 3.109 -3.722 1.00 0.00 N ATOM 606 CA VAL A 41 3.727 1.796 -3.105 1.00 0.00 C ATOM 607 C VAL A 41 5.134 1.206 -2.994 1.00 0.00 C ATOM 608 O VAL A 41 5.658 0.656 -3.961 1.00 0.00 O ATOM 609 CB VAL A 41 2.764 0.903 -3.890 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.689 -0.496 -3.275 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.376 1.539 -3.978 1.00 0.00 C ATOM 0 H VAL A 41 4.602 3.242 -4.343 1.00 0.00 H new ATOM 0 HA VAL A 41 3.326 1.873 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 41 3.151 0.802 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.998 -1.110 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.679 -0.953 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.337 -0.423 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.711 0.884 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.978 1.684 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.449 2.503 -4.482 1.00 0.00 H new ATOM 621 N ILE A 42 5.706 1.340 -1.806 1.00 0.00 N ATOM 622 CA ILE A 42 7.042 0.827 -1.556 1.00 0.00 C ATOM 623 C ILE A 42 6.984 -0.208 -0.429 1.00 0.00 C ATOM 624 O ILE A 42 7.342 0.090 0.709 1.00 0.00 O ATOM 625 CB ILE A 42 8.015 1.975 -1.286 1.00 0.00 C ATOM 626 CG1 ILE A 42 8.118 2.903 -2.499 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.384 1.445 -0.854 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.936 2.254 -3.618 1.00 0.00 C ATOM 0 H ILE A 42 5.268 1.797 -1.006 1.00 0.00 H new ATOM 0 HA ILE A 42 7.425 0.316 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 42 7.623 2.566 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.119 3.141 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.582 3.844 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.056 2.283 -0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.276 0.858 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.796 0.817 -1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.994 2.934 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.941 2.039 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.456 1.326 -3.928 1.00 0.00 H new ATOM 640 N PHE A 43 6.531 -1.400 -0.786 1.00 0.00 N ATOM 641 CA PHE A 43 6.422 -2.479 0.180 1.00 0.00 C ATOM 642 C PHE A 43 7.683 -2.575 1.040 1.00 0.00 C ATOM 643 O PHE A 43 8.757 -2.140 0.624 1.00 0.00 O ATOM 644 CB PHE A 43 6.261 -3.777 -0.615 1.00 0.00 C ATOM 645 CG PHE A 43 4.962 -3.856 -1.420 1.00 0.00 C ATOM 646 CD1 PHE A 43 3.804 -4.223 -0.809 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.966 -3.561 -2.747 1.00 0.00 C ATOM 648 CE1 PHE A 43 2.599 -4.297 -1.555 1.00 0.00 C ATOM 649 CE2 PHE A 43 3.760 -3.635 -3.495 1.00 0.00 C ATOM 650 CZ PHE A 43 2.603 -4.001 -2.883 1.00 0.00 C ATOM 0 H PHE A 43 6.235 -1.643 -1.731 1.00 0.00 H new ATOM 0 HA PHE A 43 5.576 -2.300 0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.106 -3.881 -1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.301 -4.621 0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.801 -4.458 0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.886 -3.270 -3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.680 -4.588 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.763 -3.401 -4.549 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.686 -4.057 -3.451 1.00 0.00 H new ATOM 660 N ASP A 44 7.513 -3.146 2.223 1.00 0.00 N ATOM 661 CA ASP A 44 8.625 -3.305 3.145 1.00 0.00 C ATOM 662 C ASP A 44 9.344 -4.621 2.848 1.00 0.00 C ATOM 663 O ASP A 44 10.556 -4.636 2.631 1.00 0.00 O ATOM 664 CB ASP A 44 8.136 -3.350 4.594 1.00 0.00 C ATOM 665 CG ASP A 44 9.088 -2.727 5.616 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.275 -2.561 5.261 1.00 0.00 O ATOM 667 OD2 ASP A 44 8.607 -2.428 6.732 1.00 0.00 O ATOM 0 H ASP A 44 6.621 -3.505 2.565 1.00 0.00 H new ATOM 0 HA ASP A 44 9.294 -2.454 3.016 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.176 -2.837 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.960 -4.390 4.870 1.00 0.00 H new ATOM 672 N LYS A 45 8.570 -5.696 2.846 1.00 0.00 N ATOM 673 CA LYS A 45 9.119 -7.014 2.580 1.00 0.00 C ATOM 674 C LYS A 45 8.065 -8.075 2.903 1.00 0.00 C ATOM 675 O LYS A 45 7.255 -7.896 3.811 1.00 0.00 O ATOM 676 CB LYS A 45 10.437 -7.209 3.332 1.00 0.00 C ATOM 677 CG LYS A 45 11.616 -7.284 2.360 1.00 0.00 C ATOM 678 CD LYS A 45 12.821 -7.965 3.011 1.00 0.00 C ATOM 679 CE LYS A 45 13.736 -8.589 1.956 1.00 0.00 C ATOM 680 NZ LYS A 45 14.811 -7.645 1.579 1.00 0.00 N ATOM 0 H LYS A 45 7.566 -5.681 3.025 1.00 0.00 H new ATOM 0 HA LYS A 45 9.364 -7.117 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.588 -6.385 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.390 -8.123 3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.321 -7.835 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.891 -6.280 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.381 -7.237 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.478 -8.736 3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.172 -9.510 2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.154 -8.858 1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.423 -8.084 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.390 -6.777 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.376 -7.409 2.419 1.00 0.00 H new ATOM 694 N VAL A 46 8.110 -9.159 2.142 1.00 0.00 N ATOM 695 CA VAL A 46 7.168 -10.250 2.335 1.00 0.00 C ATOM 696 C VAL A 46 7.939 -11.565 2.471 1.00 0.00 C ATOM 697 O VAL A 46 9.112 -11.640 2.111 1.00 0.00 O ATOM 698 CB VAL A 46 6.148 -10.270 1.195 1.00 0.00 C ATOM 699 CG1 VAL A 46 6.365 -11.483 0.288 1.00 0.00 C ATOM 700 CG2 VAL A 46 4.719 -10.237 1.738 1.00 0.00 C ATOM 0 H VAL A 46 8.784 -9.306 1.390 1.00 0.00 H new ATOM 0 HA VAL A 46 6.602 -10.108 3.256 1.00 0.00 H new ATOM 0 HB VAL A 46 6.297 -9.373 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.627 -11.474 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.367 -11.443 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.256 -12.397 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.014 -10.252 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.551 -11.107 2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.573 -9.328 2.322 1.00 0.00 H new ATOM 710 N PRO A 47 7.229 -12.593 3.006 1.00 0.00 N ATOM 711 CA PRO A 47 7.834 -13.902 3.195 1.00 0.00 C ATOM 712 C PRO A 47 7.967 -14.640 1.862 1.00 0.00 C ATOM 713 O PRO A 47 7.289 -14.306 0.892 1.00 0.00 O ATOM 714 CB PRO A 47 6.926 -14.616 4.182 1.00 0.00 C ATOM 715 CG PRO A 47 5.605 -13.865 4.152 1.00 0.00 C ATOM 716 CD PRO A 47 5.837 -12.541 3.445 1.00 0.00 C ATOM 0 HA PRO A 47 8.852 -13.844 3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.788 -15.660 3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.356 -14.610 5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.846 -14.448 3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.238 -13.698 5.165 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.160 -12.420 2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.664 -11.699 4.115 1.00 0.00 H new ATOM 756 N SER A 51 7.056 -11.237 -4.020 1.00 0.00 N ATOM 757 CA SER A 51 8.148 -10.286 -4.135 1.00 0.00 C ATOM 758 C SER A 51 7.667 -8.887 -3.744 1.00 0.00 C ATOM 759 O SER A 51 7.372 -8.063 -4.609 1.00 0.00 O ATOM 760 CB SER A 51 8.722 -10.272 -5.553 1.00 0.00 C ATOM 761 OG SER A 51 9.878 -11.096 -5.668 1.00 0.00 O ATOM 0 HA SER A 51 8.942 -10.595 -3.455 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.962 -10.614 -6.255 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.976 -9.249 -5.831 1.00 0.00 H new ATOM 0 HG SER A 51 10.214 -11.062 -6.588 1.00 0.00 H new ATOM 767 N ALA A 52 7.601 -8.661 -2.440 1.00 0.00 N ATOM 768 CA ALA A 52 7.159 -7.376 -1.924 1.00 0.00 C ATOM 769 C ALA A 52 8.015 -6.266 -2.535 1.00 0.00 C ATOM 770 O ALA A 52 7.487 -5.303 -3.090 1.00 0.00 O ATOM 771 CB ALA A 52 7.225 -7.390 -0.395 1.00 0.00 C ATOM 0 H ALA A 52 7.846 -9.346 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 52 6.123 -7.185 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.894 -6.427 -0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.578 -8.178 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.251 -7.576 -0.077 1.00 0.00 H new ATOM 777 N PRO A 53 9.358 -6.440 -2.408 1.00 0.00 N ATOM 778 CA PRO A 53 10.293 -5.463 -2.940 1.00 0.00 C ATOM 779 C PRO A 53 10.389 -5.569 -4.464 1.00 0.00 C ATOM 780 O PRO A 53 11.484 -5.663 -5.015 1.00 0.00 O ATOM 781 CB PRO A 53 11.610 -5.757 -2.241 1.00 0.00 C ATOM 782 CG PRO A 53 11.486 -7.170 -1.695 1.00 0.00 C ATOM 783 CD PRO A 53 10.020 -7.566 -1.757 1.00 0.00 C ATOM 0 HA PRO A 53 9.979 -4.436 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.447 -5.679 -2.935 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.794 -5.043 -1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.093 -7.860 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.851 -7.216 -0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.882 -8.487 -2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.615 -7.741 -0.760 1.00 0.00 H new ATOM 791 N ALA A 54 9.227 -5.551 -5.100 1.00 0.00 N ATOM 792 CA ALA A 54 9.165 -5.644 -6.548 1.00 0.00 C ATOM 793 C ALA A 54 7.840 -5.057 -7.037 1.00 0.00 C ATOM 794 O ALA A 54 7.814 -4.285 -7.995 1.00 0.00 O ATOM 795 CB ALA A 54 9.348 -7.102 -6.975 1.00 0.00 C ATOM 0 H ALA A 54 8.321 -5.473 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 54 9.970 -5.067 -7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.301 -7.171 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.317 -7.463 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.557 -7.711 -6.538 1.00 0.00 H new ATOM 801 N LEU A 55 6.771 -5.443 -6.356 1.00 0.00 N ATOM 802 CA LEU A 55 5.445 -4.964 -6.710 1.00 0.00 C ATOM 803 C LEU A 55 5.359 -3.462 -6.427 1.00 0.00 C ATOM 804 O LEU A 55 4.464 -2.783 -6.929 1.00 0.00 O ATOM 805 CB LEU A 55 4.371 -5.786 -5.996 1.00 0.00 C ATOM 806 CG LEU A 55 3.880 -7.034 -6.734 1.00 0.00 C ATOM 807 CD1 LEU A 55 2.960 -7.871 -5.845 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.213 -6.659 -8.059 1.00 0.00 C ATOM 0 H LEU A 55 6.796 -6.082 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 55 5.262 -5.100 -7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.761 -6.092 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.514 -5.140 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 55 4.745 -7.653 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.626 -8.751 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.502 -8.184 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.095 -7.275 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.873 -7.563 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.360 -6.009 -7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.930 -6.138 -8.693 1.00 0.00 H new ATOM 820 N SER A 56 6.300 -2.988 -5.625 1.00 0.00 N ATOM 821 CA SER A 56 6.342 -1.579 -5.270 1.00 0.00 C ATOM 822 C SER A 56 6.339 -0.721 -6.536 1.00 0.00 C ATOM 823 O SER A 56 6.869 -1.129 -7.568 1.00 0.00 O ATOM 824 CB SER A 56 7.571 -1.262 -4.415 1.00 0.00 C ATOM 825 OG SER A 56 8.703 -2.034 -4.804 1.00 0.00 O ATOM 0 H SER A 56 7.040 -3.554 -5.210 1.00 0.00 H new ATOM 0 HA SER A 56 5.455 -1.348 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.808 -0.202 -4.500 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.343 -1.455 -3.367 1.00 0.00 H new ATOM 0 HG SER A 56 9.468 -1.802 -4.237 1.00 0.00 H new ATOM 831 N ASN A 57 5.736 0.453 -6.415 1.00 0.00 N ATOM 832 CA ASN A 57 5.657 1.373 -7.537 1.00 0.00 C ATOM 833 C ASN A 57 6.447 2.641 -7.208 1.00 0.00 C ATOM 834 O ASN A 57 6.059 3.407 -6.326 1.00 0.00 O ATOM 835 CB ASN A 57 4.208 1.778 -7.817 1.00 0.00 C ATOM 836 CG ASN A 57 3.246 0.636 -7.482 1.00 0.00 C ATOM 837 OD1 ASN A 57 3.634 -0.508 -7.310 1.00 0.00 O ATOM 838 ND2 ASN A 57 1.972 1.009 -7.401 1.00 0.00 N ATOM 0 H ASN A 57 5.298 0.788 -5.557 1.00 0.00 H new ATOM 0 HA ASN A 57 6.067 0.871 -8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.952 2.659 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.100 2.054 -8.866 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.252 0.320 -7.183 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.715 1.984 -7.556 1.00 0.00 H new ATOM 845 N THR A 58 7.540 2.825 -7.933 1.00 0.00 N ATOM 846 CA THR A 58 8.387 3.988 -7.729 1.00 0.00 C ATOM 847 C THR A 58 7.937 5.140 -8.629 1.00 0.00 C ATOM 848 O THR A 58 8.725 6.031 -8.942 1.00 0.00 O ATOM 849 CB THR A 58 9.837 3.563 -7.965 1.00 0.00 C ATOM 850 OG1 THR A 58 10.562 4.790 -7.970 1.00 0.00 O ATOM 851 CG2 THR A 58 10.059 2.994 -9.368 1.00 0.00 C ATOM 0 H THR A 58 7.859 2.188 -8.663 1.00 0.00 H new ATOM 0 HA THR A 58 8.305 4.363 -6.709 1.00 0.00 H new ATOM 0 HB THR A 58 10.123 2.819 -7.222 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.326 5.306 -8.769 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.104 2.708 -9.483 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.425 2.119 -9.510 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.806 3.750 -10.111 1.00 0.00 H new ATOM 859 N LYS A 59 6.672 5.086 -9.018 1.00 0.00 N ATOM 860 CA LYS A 59 6.107 6.114 -9.875 1.00 0.00 C ATOM 861 C LYS A 59 5.130 6.968 -9.064 1.00 0.00 C ATOM 862 O LYS A 59 3.917 6.843 -9.217 1.00 0.00 O ATOM 863 CB LYS A 59 5.485 5.488 -11.125 1.00 0.00 C ATOM 864 CG LYS A 59 5.694 6.384 -12.348 1.00 0.00 C ATOM 865 CD LYS A 59 4.927 5.845 -13.558 1.00 0.00 C ATOM 866 CE LYS A 59 4.313 6.987 -14.370 1.00 0.00 C ATOM 867 NZ LYS A 59 4.301 6.651 -15.812 1.00 0.00 N ATOM 0 H LYS A 59 6.022 4.346 -8.755 1.00 0.00 H new ATOM 0 HA LYS A 59 6.890 6.781 -10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.930 4.510 -11.306 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.419 5.329 -10.964 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.360 7.397 -12.123 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.757 6.443 -12.583 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.599 5.265 -14.190 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.141 5.168 -13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.296 7.179 -14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.882 7.903 -14.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.881 7.437 -16.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.275 6.490 -16.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.738 5.789 -15.963 1.00 0.00 H new ATOM 881 N LEU A 60 5.698 7.819 -8.220 1.00 0.00 N ATOM 882 CA LEU A 60 4.892 8.693 -7.385 1.00 0.00 C ATOM 883 C LEU A 60 3.870 9.424 -8.258 1.00 0.00 C ATOM 884 O LEU A 60 4.238 10.241 -9.101 1.00 0.00 O ATOM 885 CB LEU A 60 5.786 9.630 -6.571 1.00 0.00 C ATOM 886 CG LEU A 60 7.088 10.069 -7.245 1.00 0.00 C ATOM 887 CD1 LEU A 60 7.272 11.584 -7.147 1.00 0.00 C ATOM 888 CD2 LEU A 60 8.285 9.308 -6.673 1.00 0.00 C ATOM 0 H LEU A 60 6.705 7.921 -8.097 1.00 0.00 H new ATOM 0 HA LEU A 60 4.331 8.111 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.211 10.522 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.035 9.137 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 60 7.025 9.820 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.205 11.869 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.438 12.084 -7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.305 11.879 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.197 9.639 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.363 9.503 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.149 8.239 -6.838 1.00 0.00 H new ATOM 900 N ALA A 61 2.604 9.105 -8.026 1.00 0.00 N ATOM 901 CA ALA A 61 1.526 9.721 -8.780 1.00 0.00 C ATOM 902 C ALA A 61 1.239 11.111 -8.207 1.00 0.00 C ATOM 903 O ALA A 61 0.729 11.233 -7.094 1.00 0.00 O ATOM 904 CB ALA A 61 0.297 8.812 -8.750 1.00 0.00 C ATOM 0 H ALA A 61 2.302 8.428 -7.326 1.00 0.00 H new ATOM 0 HA ALA A 61 1.811 9.847 -9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.512 9.275 -9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.546 7.849 -9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.021 8.664 -7.718 1.00 0.00 H new ATOM 910 N ILE A 62 1.578 12.122 -8.993 1.00 0.00 N ATOM 911 CA ILE A 62 1.362 13.497 -8.578 1.00 0.00 C ATOM 912 C ILE A 62 -0.130 13.826 -8.671 1.00 0.00 C ATOM 913 O ILE A 62 -0.718 14.336 -7.718 1.00 0.00 O ATOM 914 CB ILE A 62 2.251 14.446 -9.383 1.00 0.00 C ATOM 915 CG1 ILE A 62 3.731 14.120 -9.175 1.00 0.00 C ATOM 916 CG2 ILE A 62 1.934 15.907 -9.055 1.00 0.00 C ATOM 917 CD1 ILE A 62 4.088 14.123 -7.687 1.00 0.00 C ATOM 0 H ILE A 62 2.001 12.016 -9.915 1.00 0.00 H new ATOM 0 HA ILE A 62 1.654 13.630 -7.536 1.00 0.00 H new ATOM 0 HB ILE A 62 2.035 14.300 -10.441 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.956 13.144 -9.605 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.346 14.850 -9.702 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.581 16.560 -9.641 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.892 16.116 -9.296 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.104 16.087 -7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.146 13.888 -7.566 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.884 15.108 -7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.489 13.375 -7.168 1.00 0.00 H new ATOM 929 N ALA A 63 -0.700 13.518 -9.827 1.00 0.00 N ATOM 930 CA ALA A 63 -2.112 13.774 -10.057 1.00 0.00 C ATOM 931 C ALA A 63 -2.944 12.750 -9.283 1.00 0.00 C ATOM 932 O ALA A 63 -2.587 11.574 -9.221 1.00 0.00 O ATOM 933 CB ALA A 63 -2.399 13.743 -11.559 1.00 0.00 C ATOM 0 H ALA A 63 -0.210 13.094 -10.614 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.386 14.764 -9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.458 13.935 -11.731 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.806 14.509 -12.059 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.138 12.763 -11.959 1.00 0.00 H new ATOM 939 N PRO A 64 -4.066 13.246 -8.697 1.00 0.00 N ATOM 940 CA PRO A 64 -4.952 12.387 -7.929 1.00 0.00 C ATOM 941 C PRO A 64 -5.786 11.495 -8.851 1.00 0.00 C ATOM 942 O PRO A 64 -6.129 11.894 -9.963 1.00 0.00 O ATOM 943 CB PRO A 64 -5.798 13.337 -7.098 1.00 0.00 C ATOM 944 CG PRO A 64 -5.679 14.696 -7.767 1.00 0.00 C ATOM 945 CD PRO A 64 -4.520 14.632 -8.749 1.00 0.00 C ATOM 0 HA PRO A 64 -4.411 11.691 -7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.837 13.008 -7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.443 13.376 -6.068 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.604 14.949 -8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.507 15.474 -7.023 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.838 14.907 -9.755 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.723 15.320 -8.467 1.00 0.00 H new ATOM 953 N GLY A 65 -6.089 10.304 -8.355 1.00 0.00 N ATOM 954 CA GLY A 65 -6.876 9.353 -9.121 1.00 0.00 C ATOM 955 C GLY A 65 -6.930 7.995 -8.418 1.00 0.00 C ATOM 956 O GLY A 65 -7.560 7.858 -7.371 1.00 0.00 O ATOM 0 H GLY A 65 -5.804 9.976 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.887 9.737 -9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.444 9.235 -10.115 1.00 0.00 H new ATOM 960 N SER A 66 -6.260 7.025 -9.022 1.00 0.00 N ATOM 961 CA SER A 66 -6.224 5.682 -8.468 1.00 0.00 C ATOM 962 C SER A 66 -5.162 4.847 -9.188 1.00 0.00 C ATOM 963 O SER A 66 -5.356 4.447 -10.334 1.00 0.00 O ATOM 964 CB SER A 66 -7.593 5.006 -8.573 1.00 0.00 C ATOM 965 OG SER A 66 -8.656 5.900 -8.260 1.00 0.00 O ATOM 0 H SER A 66 -5.737 7.142 -9.890 1.00 0.00 H new ATOM 0 HA SER A 66 -5.965 5.754 -7.412 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.730 4.620 -9.583 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.628 4.151 -7.898 1.00 0.00 H new ATOM 0 HG SER A 66 -8.342 6.568 -7.616 1.00 0.00 H new ATOM 971 N PHE A 67 -4.065 4.611 -8.484 1.00 0.00 N ATOM 972 CA PHE A 67 -2.973 3.831 -9.040 1.00 0.00 C ATOM 973 C PHE A 67 -3.503 2.646 -9.849 1.00 0.00 C ATOM 974 O PHE A 67 -3.690 2.750 -11.061 1.00 0.00 O ATOM 975 CB PHE A 67 -2.153 3.304 -7.862 1.00 0.00 C ATOM 976 CG PHE A 67 -1.130 4.304 -7.319 1.00 0.00 C ATOM 977 CD1 PHE A 67 -0.092 4.706 -8.099 1.00 0.00 C ATOM 978 CD2 PHE A 67 -1.259 4.789 -6.055 1.00 0.00 C ATOM 979 CE1 PHE A 67 0.858 5.634 -7.595 1.00 0.00 C ATOM 980 CE2 PHE A 67 -0.310 5.717 -5.551 1.00 0.00 C ATOM 981 CZ PHE A 67 0.729 6.121 -6.331 1.00 0.00 C ATOM 0 H PHE A 67 -3.909 4.946 -7.533 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.374 4.452 -9.706 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.832 3.021 -7.057 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.631 2.398 -8.172 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.011 4.320 -9.102 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.083 4.468 -5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.683 5.953 -8.215 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.413 6.103 -4.547 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.450 6.827 -5.947 1.00 0.00 H new ATOM 991 N TYR A 68 -3.728 1.545 -9.147 1.00 0.00 N ATOM 992 CA TYR A 68 -4.232 0.341 -9.784 1.00 0.00 C ATOM 993 C TYR A 68 -4.445 -0.775 -8.758 1.00 0.00 C ATOM 994 O TYR A 68 -4.229 -0.575 -7.565 1.00 0.00 O ATOM 995 CB TYR A 68 -3.153 -0.095 -10.776 1.00 0.00 C ATOM 996 CG TYR A 68 -1.828 -0.489 -10.122 1.00 0.00 C ATOM 997 CD1 TYR A 68 -1.730 -1.674 -9.420 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.730 0.340 -10.233 1.00 0.00 C ATOM 999 CE1 TYR A 68 -0.483 -2.044 -8.803 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.517 -0.031 -9.616 1.00 0.00 C ATOM 1001 CZ TYR A 68 0.580 -1.205 -8.932 1.00 0.00 C ATOM 1002 OH TYR A 68 1.757 -1.555 -8.349 1.00 0.00 O ATOM 0 H TYR A 68 -3.570 1.462 -8.143 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.190 0.535 -10.266 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.526 -0.940 -11.354 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.971 0.717 -11.480 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.589 -2.323 -9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.806 1.267 -10.782 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.393 -2.967 -8.250 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.383 0.609 -9.695 1.00 0.00 H new ATOM 0 HH TYR A 68 2.501 -1.296 -8.932 1.00 0.00 H new ATOM 1012 N SER A 69 -4.867 -1.925 -9.262 1.00 0.00 N ATOM 1013 CA SER A 69 -5.112 -3.073 -8.404 1.00 0.00 C ATOM 1014 C SER A 69 -4.136 -4.201 -8.748 1.00 0.00 C ATOM 1015 O SER A 69 -3.576 -4.229 -9.843 1.00 0.00 O ATOM 1016 CB SER A 69 -6.555 -3.561 -8.537 1.00 0.00 C ATOM 1017 OG SER A 69 -7.418 -2.547 -9.044 1.00 0.00 O ATOM 0 H SER A 69 -5.046 -2.087 -10.253 1.00 0.00 H new ATOM 0 HA SER A 69 -4.954 -2.767 -7.370 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.585 -4.427 -9.199 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.917 -3.891 -7.563 1.00 0.00 H new ATOM 0 HG SER A 69 -8.330 -2.899 -9.116 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.963 -5.102 -7.793 1.00 0.00 N ATOM 1024 CA VAL A 70 -3.065 -6.228 -7.980 1.00 0.00 C ATOM 1025 C VAL A 70 -3.568 -7.418 -7.162 1.00 0.00 C ATOM 1026 O VAL A 70 -4.084 -7.243 -6.059 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.633 -5.821 -7.625 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.910 -5.239 -8.842 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.618 -4.834 -6.456 1.00 0.00 C ATOM 0 H VAL A 70 -4.430 -5.075 -6.887 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.051 -6.535 -9.026 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.097 -6.718 -7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.105 -4.958 -8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.874 -5.986 -9.635 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.445 -4.358 -9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.589 -4.561 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.178 -3.939 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.076 -5.298 -5.582 1.00 0.00 H new ATOM 1039 N THR A 71 -3.400 -8.602 -7.732 1.00 0.00 N ATOM 1040 CA THR A 71 -3.832 -9.821 -7.070 1.00 0.00 C ATOM 1041 C THR A 71 -2.646 -10.504 -6.386 1.00 0.00 C ATOM 1042 O THR A 71 -1.538 -10.516 -6.921 1.00 0.00 O ATOM 1043 CB THR A 71 -4.525 -10.704 -8.109 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.833 -10.149 -8.218 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.765 -12.127 -7.600 1.00 0.00 C ATOM 0 H THR A 71 -2.970 -8.743 -8.646 1.00 0.00 H new ATOM 0 HA THR A 71 -4.547 -9.608 -6.276 1.00 0.00 H new ATOM 0 HB THR A 71 -3.922 -10.740 -9.016 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.352 -10.661 -8.873 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.259 -12.712 -8.375 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.810 -12.590 -7.349 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.397 -12.094 -6.712 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.918 -11.055 -5.213 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.887 -11.738 -4.449 1.00 0.00 C ATOM 1055 C LEU A 72 -2.223 -13.229 -4.368 1.00 0.00 C ATOM 1056 O LEU A 72 -3.311 -13.647 -4.764 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.703 -11.075 -3.084 1.00 0.00 C ATOM 1058 CG LEU A 72 -1.116 -9.661 -3.100 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -1.196 -9.019 -1.713 1.00 0.00 C ATOM 1060 CD2 LEU A 72 0.313 -9.666 -3.647 1.00 0.00 C ATOM 0 H LEU A 72 -3.838 -11.043 -4.772 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.923 -11.654 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.672 -11.040 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.056 -11.709 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.716 -9.050 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.773 -8.015 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.238 -8.961 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.634 -9.622 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.706 -8.649 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.941 -10.298 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.311 -10.055 -4.665 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.271 -13.990 -3.850 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.452 -15.426 -3.711 1.00 0.00 C ATOM 1074 C GLY A 73 -0.609 -15.975 -2.558 1.00 0.00 C ATOM 1075 O GLY A 73 -1.120 -16.691 -1.698 1.00 0.00 O ATOM 0 H GLY A 73 -0.371 -13.640 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.504 -15.648 -3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.172 -15.923 -4.640 1.00 0.00 H new ATOM 1079 N THR A 74 0.667 -15.620 -2.578 1.00 0.00 N ATOM 1080 CA THR A 74 1.585 -16.068 -1.546 1.00 0.00 C ATOM 1081 C THR A 74 1.010 -15.781 -0.158 1.00 0.00 C ATOM 1082 O THR A 74 0.636 -14.647 0.140 1.00 0.00 O ATOM 1083 CB THR A 74 2.939 -15.400 -1.793 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.599 -16.278 -2.699 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.831 -15.406 -0.550 1.00 0.00 C ATOM 0 H THR A 74 1.087 -15.027 -3.294 1.00 0.00 H new ATOM 0 HA THR A 74 1.728 -17.148 -1.587 1.00 0.00 H new ATOM 0 HB THR A 74 2.782 -14.372 -2.121 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.485 -15.920 -2.915 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.779 -14.920 -0.780 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.334 -14.868 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.016 -16.434 -0.240 1.00 0.00 H new ATOM 1093 N PRO A 75 0.955 -16.854 0.676 1.00 0.00 N ATOM 1094 CA PRO A 75 0.431 -16.727 2.025 1.00 0.00 C ATOM 1095 C PRO A 75 1.436 -16.023 2.940 1.00 0.00 C ATOM 1096 O PRO A 75 2.640 -16.253 2.838 1.00 0.00 O ATOM 1097 CB PRO A 75 0.124 -18.149 2.463 1.00 0.00 C ATOM 1098 CG PRO A 75 0.915 -19.053 1.531 1.00 0.00 C ATOM 1099 CD PRO A 75 1.389 -18.211 0.358 1.00 0.00 C ATOM 0 HA PRO A 75 -0.465 -16.108 2.072 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.414 -18.309 3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.944 -18.357 2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.765 -19.491 2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.295 -19.879 1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.472 -18.264 0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.953 -18.557 -0.579 1.00 0.00 H new ATOM 1107 N GLY A 76 0.904 -15.181 3.813 1.00 0.00 N ATOM 1108 CA GLY A 76 1.739 -14.443 4.745 1.00 0.00 C ATOM 1109 C GLY A 76 1.226 -13.012 4.927 1.00 0.00 C ATOM 1110 O GLY A 76 0.212 -12.634 4.343 1.00 0.00 O ATOM 0 H GLY A 76 -0.095 -14.993 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.754 -14.953 5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.766 -14.421 4.380 1.00 0.00 H new ATOM 1114 N THR A 77 1.950 -12.257 5.740 1.00 0.00 N ATOM 1115 CA THR A 77 1.581 -10.878 6.006 1.00 0.00 C ATOM 1116 C THR A 77 2.496 -9.922 5.237 1.00 0.00 C ATOM 1117 O THR A 77 3.708 -9.913 5.448 1.00 0.00 O ATOM 1118 CB THR A 77 1.614 -10.663 7.520 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.587 -11.517 8.015 1.00 0.00 O ATOM 1120 CG2 THR A 77 1.158 -9.259 7.923 1.00 0.00 C ATOM 0 H THR A 77 2.790 -12.575 6.223 1.00 0.00 H new ATOM 0 HA THR A 77 0.572 -10.665 5.654 1.00 0.00 H new ATOM 0 HB THR A 77 2.625 -10.835 7.888 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.541 -11.441 8.991 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.201 -9.160 9.008 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.813 -8.518 7.465 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.135 -9.097 7.584 1.00 0.00 H new ATOM 1128 N TYR A 78 1.880 -9.142 4.360 1.00 0.00 N ATOM 1129 CA TYR A 78 2.625 -8.185 3.558 1.00 0.00 C ATOM 1130 C TYR A 78 2.683 -6.820 4.246 1.00 0.00 C ATOM 1131 O TYR A 78 1.670 -6.327 4.740 1.00 0.00 O ATOM 1132 CB TYR A 78 1.855 -8.048 2.243 1.00 0.00 C ATOM 1133 CG TYR A 78 1.903 -9.297 1.361 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.370 -10.486 1.818 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.477 -9.236 0.108 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.416 -11.662 0.987 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.523 -10.411 -0.722 1.00 0.00 C ATOM 1138 CZ TYR A 78 1.990 -11.566 -0.242 1.00 0.00 C ATOM 1139 OH TYR A 78 2.031 -12.676 -1.026 1.00 0.00 O ATOM 0 H TYR A 78 0.875 -9.153 4.187 1.00 0.00 H new ATOM 0 HA TYR A 78 3.650 -8.524 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.814 -7.813 2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.259 -7.205 1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.919 -10.534 2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.892 -8.306 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.004 -12.599 1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 78 2.971 -10.376 -1.704 1.00 0.00 H new ATOM 0 HH TYR A 78 1.375 -13.328 -0.704 1.00 0.00 H new ATOM 1149 N SER A 79 3.877 -6.249 4.258 1.00 0.00 N ATOM 1150 CA SER A 79 4.081 -4.950 4.878 1.00 0.00 C ATOM 1151 C SER A 79 4.579 -3.946 3.836 1.00 0.00 C ATOM 1152 O SER A 79 5.296 -4.314 2.908 1.00 0.00 O ATOM 1153 CB SER A 79 5.070 -5.044 6.041 1.00 0.00 C ATOM 1154 OG SER A 79 6.106 -5.988 5.786 1.00 0.00 O ATOM 0 H SER A 79 4.715 -6.662 3.848 1.00 0.00 H new ATOM 0 HA SER A 79 3.126 -4.607 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.510 -4.063 6.223 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.537 -5.327 6.948 1.00 0.00 H new ATOM 0 HG SER A 79 6.717 -6.017 6.551 1.00 0.00 H new ATOM 1160 N PHE A 80 4.179 -2.697 4.027 1.00 0.00 N ATOM 1161 CA PHE A 80 4.576 -1.638 3.116 1.00 0.00 C ATOM 1162 C PHE A 80 4.556 -0.277 3.816 1.00 0.00 C ATOM 1163 O PHE A 80 4.401 -0.204 5.033 1.00 0.00 O ATOM 1164 CB PHE A 80 3.558 -1.624 1.974 1.00 0.00 C ATOM 1165 CG PHE A 80 2.102 -1.534 2.438 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.489 -2.626 2.967 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.424 -0.361 2.324 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.138 -2.543 3.398 1.00 0.00 C ATOM 1169 CE2 PHE A 80 0.073 -0.278 2.754 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.541 -1.370 3.282 1.00 0.00 C ATOM 0 H PHE A 80 3.584 -2.395 4.799 1.00 0.00 H new ATOM 0 HA PHE A 80 5.589 -1.818 2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.773 -0.779 1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.683 -2.528 1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.029 -3.557 3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.913 0.507 1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.350 -3.411 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.467 0.653 2.662 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.568 -1.306 3.609 1.00 0.00 H new ATOM 1180 N TYR A 81 4.718 0.767 3.016 1.00 0.00 N ATOM 1181 CA TYR A 81 4.721 2.120 3.544 1.00 0.00 C ATOM 1182 C TYR A 81 4.895 3.146 2.421 1.00 0.00 C ATOM 1183 O TYR A 81 5.200 2.783 1.286 1.00 0.00 O ATOM 1184 CB TYR A 81 5.925 2.203 4.485 1.00 0.00 C ATOM 1185 CG TYR A 81 7.260 1.860 3.820 1.00 0.00 C ATOM 1186 CD1 TYR A 81 7.799 2.711 2.877 1.00 0.00 C ATOM 1187 CD2 TYR A 81 7.923 0.701 4.164 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.056 2.388 2.251 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.179 0.379 3.538 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.684 1.238 2.612 1.00 0.00 C ATOM 1191 OH TYR A 81 10.870 0.933 2.022 1.00 0.00 O ATOM 0 H TYR A 81 4.848 0.703 2.006 1.00 0.00 H new ATOM 0 HA TYR A 81 3.780 2.337 4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.984 3.211 4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.764 1.526 5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.279 3.619 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.501 0.035 4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.489 3.045 1.511 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.709 -0.525 3.798 1.00 0.00 H new ATOM 0 HH TYR A 81 11.204 0.083 2.378 1.00 0.00 H new ATOM 1201 N CYS A 82 4.694 4.406 2.778 1.00 0.00 N ATOM 1202 CA CYS A 82 4.825 5.486 1.814 1.00 0.00 C ATOM 1203 C CYS A 82 6.272 5.981 1.842 1.00 0.00 C ATOM 1204 O CYS A 82 6.942 5.894 2.870 1.00 0.00 O ATOM 1205 CB CYS A 82 3.830 6.615 2.093 1.00 0.00 C ATOM 1206 SG CYS A 82 2.908 7.203 0.625 1.00 0.00 S ATOM 0 H CYS A 82 4.442 4.703 3.721 1.00 0.00 H new ATOM 0 HA CYS A 82 4.587 5.118 0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.115 6.274 2.841 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.369 7.457 2.528 1.00 0.00 H new ATOM 0 HG CYS A 82 3.167 8.461 0.425 1.00 0.00 H new ATOM 1211 N THR A 83 6.711 6.491 0.701 1.00 0.00 N ATOM 1212 CA THR A 83 8.067 7.001 0.581 1.00 0.00 C ATOM 1213 C THR A 83 8.182 8.372 1.251 1.00 0.00 C ATOM 1214 O THR A 83 9.030 8.572 2.119 1.00 0.00 O ATOM 1215 CB THR A 83 8.436 7.017 -0.903 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.333 5.919 -1.050 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.277 8.237 -1.285 1.00 0.00 C ATOM 0 H THR A 83 6.152 6.562 -0.149 1.00 0.00 H new ATOM 0 HA THR A 83 8.779 6.359 1.101 1.00 0.00 H new ATOM 0 HB THR A 83 7.526 7.001 -1.503 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.621 5.855 -1.984 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.511 8.199 -2.349 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.717 9.147 -1.069 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.203 8.235 -0.710 1.00 0.00 H new ATOM 1225 N PRO A 84 7.295 9.303 0.810 1.00 0.00 N ATOM 1226 CA PRO A 84 7.290 10.649 1.357 1.00 0.00 C ATOM 1227 C PRO A 84 6.669 10.670 2.756 1.00 0.00 C ATOM 1228 O PRO A 84 7.219 11.277 3.674 1.00 0.00 O ATOM 1229 CB PRO A 84 6.512 11.481 0.350 1.00 0.00 C ATOM 1230 CG PRO A 84 5.717 10.488 -0.483 1.00 0.00 C ATOM 1231 CD PRO A 84 6.278 9.101 -0.217 1.00 0.00 C ATOM 0 HA PRO A 84 8.294 11.050 1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.851 12.186 0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.185 12.066 -0.277 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.660 10.529 -0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.791 10.733 -1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.500 8.418 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.708 8.668 -1.120 1.00 0.00 H new ATOM 1239 N HIS A 85 5.533 9.999 2.875 1.00 0.00 N ATOM 1240 CA HIS A 85 4.832 9.934 4.145 1.00 0.00 C ATOM 1241 C HIS A 85 5.385 8.774 4.977 1.00 0.00 C ATOM 1242 O HIS A 85 4.623 7.974 5.517 1.00 0.00 O ATOM 1243 CB HIS A 85 3.321 9.839 3.928 1.00 0.00 C ATOM 1244 CG HIS A 85 2.774 10.863 2.962 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.836 12.225 2.977 1.00 0.00 N flip ATOM 1246 CD2 HIS A 85 2.067 10.517 1.824 1.00 0.00 C flip ATOM 1247 CE1 HIS A 85 2.204 12.687 1.905 1.00 0.00 C flip ATOM 1248 NE2 HIS A 85 1.725 11.629 1.190 1.00 0.00 N flip ATOM 0 H HIS A 85 5.081 9.495 2.112 1.00 0.00 H new ATOM 0 HA HIS A 85 5.003 10.853 4.706 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.079 8.842 3.560 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.818 9.955 4.888 1.00 0.00 H new ATOM 0 HD2 HIS A 85 1.834 9.511 1.507 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.088 13.728 1.643 1.00 0.00 H new ATOM 0 HE2 HIS A 85 1.196 11.684 0.320 1.00 0.00 H new ATOM 1256 N ARG A 86 6.707 8.720 5.053 1.00 0.00 N ATOM 1257 CA ARG A 86 7.371 7.673 5.809 1.00 0.00 C ATOM 1258 C ARG A 86 7.464 8.062 7.287 1.00 0.00 C ATOM 1259 O ARG A 86 7.578 7.197 8.154 1.00 0.00 O ATOM 1260 CB ARG A 86 8.777 7.410 5.269 1.00 0.00 C ATOM 1261 CG ARG A 86 9.687 8.619 5.494 1.00 0.00 C ATOM 1262 CD ARG A 86 11.064 8.395 4.865 1.00 0.00 C ATOM 1263 NE ARG A 86 11.983 9.485 5.259 1.00 0.00 N ATOM 1264 CZ ARG A 86 13.077 9.831 4.568 1.00 0.00 C ATOM 1265 NH1 ARG A 86 13.395 9.176 3.442 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.854 10.835 5.000 1.00 0.00 N ATOM 0 H ARG A 86 7.336 9.385 4.603 1.00 0.00 H new ATOM 0 HA ARG A 86 6.779 6.764 5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.201 6.535 5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.725 7.183 4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.228 9.509 5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.797 8.802 6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.467 7.434 5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.975 8.357 3.779 1.00 0.00 H new ATOM 0 HE ARG A 86 11.770 10.006 6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.804 8.414 3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.228 9.440 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.612 11.336 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.687 11.098 4.473 1.00 0.00 H new ATOM 1280 N GLY A 87 7.413 9.364 7.527 1.00 0.00 N ATOM 1281 CA GLY A 87 7.491 9.877 8.884 1.00 0.00 C ATOM 1282 C GLY A 87 6.108 10.283 9.396 1.00 0.00 C ATOM 1283 O GLY A 87 5.881 10.337 10.604 1.00 0.00 O ATOM 0 H GLY A 87 7.319 10.078 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.917 9.118 9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.161 10.736 8.914 1.00 0.00 H new ATOM 1287 N ALA A 88 5.220 10.558 8.452 1.00 0.00 N ATOM 1288 CA ALA A 88 3.865 10.957 8.794 1.00 0.00 C ATOM 1289 C ALA A 88 3.142 9.780 9.453 1.00 0.00 C ATOM 1290 O ALA A 88 2.066 9.950 10.025 1.00 0.00 O ATOM 1291 CB ALA A 88 3.146 11.453 7.537 1.00 0.00 C ATOM 0 H ALA A 88 5.412 10.512 7.451 1.00 0.00 H new ATOM 0 HA ALA A 88 3.876 11.779 9.509 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.130 11.752 7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.683 12.307 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.113 10.653 6.797 1.00 0.00 H new ATOM 1297 N GLY A 89 3.761 8.613 9.349 1.00 0.00 N ATOM 1298 CA GLY A 89 3.190 7.410 9.928 1.00 0.00 C ATOM 1299 C GLY A 89 2.153 6.788 8.990 1.00 0.00 C ATOM 1300 O GLY A 89 1.015 6.548 9.390 1.00 0.00 O ATOM 0 H GLY A 89 4.652 8.476 8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.982 6.688 10.130 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.724 7.648 10.884 1.00 0.00 H new ATOM 1304 N MET A 90 2.584 6.547 7.762 1.00 0.00 N ATOM 1305 CA MET A 90 1.708 5.958 6.763 1.00 0.00 C ATOM 1306 C MET A 90 2.157 4.540 6.405 1.00 0.00 C ATOM 1307 O MET A 90 2.736 4.317 5.343 1.00 0.00 O ATOM 1308 CB MET A 90 1.712 6.828 5.504 1.00 0.00 C ATOM 1309 CG MET A 90 0.754 6.269 4.449 1.00 0.00 C ATOM 1310 SD MET A 90 -0.050 7.608 3.586 1.00 0.00 S ATOM 1311 CE MET A 90 -0.884 6.691 2.300 1.00 0.00 C ATOM 0 H MET A 90 3.529 6.749 7.435 1.00 0.00 H new ATOM 0 HA MET A 90 0.701 5.905 7.177 1.00 0.00 H new ATOM 0 HB2 MET A 90 1.422 7.847 5.761 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.721 6.877 5.095 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.302 5.646 3.742 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.008 5.632 4.924 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.306 7.385 1.573 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.172 6.033 1.802 1.00 0.00 H new ATOM 0 HE3 MET A 90 -1.684 6.094 2.739 1.00 0.00 H new ATOM 1321 N VAL A 91 1.875 3.618 7.314 1.00 0.00 N ATOM 1322 CA VAL A 91 2.243 2.227 7.108 1.00 0.00 C ATOM 1323 C VAL A 91 0.987 1.355 7.182 1.00 0.00 C ATOM 1324 O VAL A 91 0.053 1.668 7.917 1.00 0.00 O ATOM 1325 CB VAL A 91 3.316 1.815 8.117 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.641 2.525 7.831 1.00 0.00 C ATOM 1327 CG2 VAL A 91 2.851 2.080 9.551 1.00 0.00 C ATOM 0 H VAL A 91 1.396 3.807 8.195 1.00 0.00 H new ATOM 0 HA VAL A 91 2.677 2.089 6.117 1.00 0.00 H new ATOM 0 HB VAL A 91 3.481 0.743 8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.386 2.214 8.563 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.985 2.264 6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.497 3.604 7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.632 1.778 10.248 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.644 3.143 9.676 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.945 1.508 9.751 1.00 0.00 H new ATOM 1337 N GLY A 92 1.006 0.281 6.407 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.119 -0.638 6.375 1.00 0.00 C ATOM 1339 C GLY A 92 0.359 -2.087 6.257 1.00 0.00 C ATOM 1340 O GLY A 92 1.560 -2.352 6.283 1.00 0.00 O ATOM 0 H GLY A 92 1.782 0.026 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.715 -0.521 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.767 -0.396 5.533 1.00 0.00 H new ATOM 1344 N THR A 93 -0.606 -2.986 6.130 1.00 0.00 N ATOM 1345 CA THR A 93 -0.298 -4.402 6.009 1.00 0.00 C ATOM 1346 C THR A 93 -1.366 -5.109 5.174 1.00 0.00 C ATOM 1347 O THR A 93 -2.471 -4.595 5.006 1.00 0.00 O ATOM 1348 CB THR A 93 -0.150 -4.976 7.419 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.459 -3.923 8.162 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.870 -6.114 7.483 1.00 0.00 C ATOM 0 H THR A 93 -1.601 -2.762 6.108 1.00 0.00 H new ATOM 0 HA THR A 93 0.641 -4.559 5.479 1.00 0.00 H new ATOM 0 HB THR A 93 -1.118 -5.335 7.767 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.590 -4.211 9.090 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.937 -6.486 8.505 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.555 -6.922 6.823 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.846 -5.746 7.166 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.000 -6.280 4.671 1.00 0.00 N ATOM 1359 CA ILE A 94 -1.913 -7.063 3.857 1.00 0.00 C ATOM 1360 C ILE A 94 -1.635 -8.552 4.075 1.00 0.00 C ATOM 1361 O ILE A 94 -0.543 -9.032 3.780 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.831 -6.631 2.392 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.290 -5.182 2.221 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.613 -7.590 1.492 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -2.122 -4.720 0.772 1.00 0.00 C ATOM 0 H ILE A 94 -0.083 -6.705 4.812 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.944 -6.882 4.161 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.787 -6.677 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.335 -5.091 2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.714 -4.534 2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.538 -7.259 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.199 -8.594 1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.660 -7.601 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.456 -3.687 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.072 -4.789 0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.718 -5.355 0.116 1.00 0.00 H new ATOM 1377 N THR A 95 -2.643 -9.240 4.592 1.00 0.00 N ATOM 1378 CA THR A 95 -2.520 -10.664 4.853 1.00 0.00 C ATOM 1379 C THR A 95 -3.216 -11.470 3.755 1.00 0.00 C ATOM 1380 O THR A 95 -4.232 -11.039 3.212 1.00 0.00 O ATOM 1381 CB THR A 95 -3.077 -10.937 6.252 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.441 -9.962 7.075 1.00 0.00 O ATOM 1383 CG2 THR A 95 -2.599 -12.274 6.821 1.00 0.00 C ATOM 0 H THR A 95 -3.548 -8.838 4.837 1.00 0.00 H new ATOM 0 HA THR A 95 -1.477 -10.981 4.834 1.00 0.00 H new ATOM 0 HB THR A 95 -4.166 -10.926 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.746 -10.066 8.000 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.023 -12.419 7.815 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.922 -13.084 6.167 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.511 -12.273 6.887 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.641 -12.626 3.458 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.193 -13.496 2.434 1.00 0.00 C ATOM 1393 C VAL A 96 -3.385 -14.899 3.013 1.00 0.00 C ATOM 1394 O VAL A 96 -2.617 -15.811 2.706 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.297 -13.478 1.194 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.497 -14.741 0.355 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.543 -12.220 0.358 1.00 0.00 C ATOM 0 H VAL A 96 -1.798 -12.980 3.909 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.172 -13.139 2.116 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.260 -13.460 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.848 -14.703 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.249 -15.618 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.537 -14.804 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.894 -12.232 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.584 -12.194 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.327 -11.336 0.958 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.411 -15.029 3.839 1.00 0.00 N ATOM 1408 CA GLU A 97 -4.714 -16.306 4.463 1.00 0.00 C ATOM 1409 C GLU A 97 -5.481 -17.204 3.490 1.00 0.00 C ATOM 1410 O GLU A 97 -4.938 -18.188 2.988 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.498 -16.111 5.762 1.00 0.00 C ATOM 1412 CG GLU A 97 -6.882 -15.519 5.482 1.00 0.00 C ATOM 1413 CD GLU A 97 -7.973 -16.315 6.202 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -7.929 -17.559 6.101 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -8.827 -15.660 6.838 1.00 0.00 O ATOM 1416 OXT GLU A 97 -6.730 -16.834 3.252 1.00 0.00 O ATOM 0 H GLU A 97 -5.044 -14.270 4.092 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.774 -16.796 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.604 -17.067 6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.944 -15.451 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.910 -14.479 5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.073 -15.522 4.409 1.00 0.00 H new