USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.04) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -139:sc= 1.29 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 160:sc= -0.0819 USER MOD Single : A 16 MET CE :methyl 135:sc= -0.248 (180deg=-1.61) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -108:sc= 0.15 USER MOD Single : A 34 SER OG : rot 46:sc= 1.15 USER MOD Single : A 36 ASN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.993 F(o=-2.9!,f=-0.99) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00784 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0874 USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0 (180deg=-9.21e-05) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 168:sc= 0.769 USER MOD Single : A 70 ASN : amide:sc= 0.906 K(o=0.91,f=-0.12) USER MOD Single : A 74 ASN : amide:sc= 0.565 K(o=0.56,f=-0.028) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 80 LYS NZ :NH3+ -131:sc= -0.0706 (180deg=-1.67!) USER MOD Single : A 85 LYS NZ :NH3+ 147:sc= 0.169 (180deg=-0.618!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 102 SER OG : rot -45:sc= 1.13 USER MOD Single : A 110 THR OG1 : rot -44:sc= 0.0868 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.279 0.978 10.903 1.00 0.00 N ATOM 2 CA MET A 1 12.151 -0.468 10.642 1.00 0.00 C ATOM 3 C MET A 1 10.689 -0.912 10.795 1.00 0.00 C ATOM 4 O MET A 1 10.229 -1.122 11.922 1.00 0.00 O ATOM 5 CB MET A 1 13.063 -1.291 11.581 1.00 0.00 C ATOM 6 CG MET A 1 14.311 -1.878 10.921 1.00 0.00 C ATOM 7 SD MET A 1 15.661 -0.723 10.618 1.00 0.00 S ATOM 8 CE MET A 1 17.001 -1.925 10.399 1.00 0.00 C ATOM 0 H1 MET A 1 13.273 1.263 10.796 1.00 0.00 H new ATOM 0 H2 MET A 1 11.692 1.506 10.226 1.00 0.00 H new ATOM 0 H3 MET A 1 11.962 1.185 11.872 1.00 0.00 H new ATOM 0 HA MET A 1 12.471 -0.652 9.616 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.374 -0.655 12.410 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.478 -2.106 12.007 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.685 -2.686 11.550 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.020 -2.323 9.970 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.890 -1.415 10.026 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.227 -2.396 11.356 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.693 -2.687 9.683 1.00 0.00 H new ATOM 18 N ALA A 2 9.958 -1.129 9.698 1.00 0.00 N ATOM 19 CA ALA A 2 8.840 -2.072 9.638 1.00 0.00 C ATOM 20 C ALA A 2 8.592 -2.461 8.189 1.00 0.00 C ATOM 21 O ALA A 2 9.031 -1.769 7.269 1.00 0.00 O ATOM 22 CB ALA A 2 7.555 -1.527 10.283 1.00 0.00 C ATOM 0 H ALA A 2 10.129 -0.648 8.815 1.00 0.00 H new ATOM 0 HA ALA A 2 9.118 -2.950 10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.764 -2.273 10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.742 -1.303 11.333 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.247 -0.617 9.768 1.00 0.00 H new ATOM 28 N ARG A 3 7.800 -3.505 7.971 1.00 0.00 N ATOM 29 CA ARG A 3 7.488 -3.934 6.619 1.00 0.00 C ATOM 30 C ARG A 3 6.442 -2.979 6.100 1.00 0.00 C ATOM 31 O ARG A 3 5.499 -2.640 6.815 1.00 0.00 O ATOM 32 CB ARG A 3 6.902 -5.342 6.632 1.00 0.00 C ATOM 33 CG ARG A 3 7.967 -6.397 6.956 1.00 0.00 C ATOM 34 CD ARG A 3 7.391 -7.808 6.902 1.00 0.00 C ATOM 35 NE ARG A 3 8.229 -8.807 7.596 1.00 0.00 N ATOM 36 CZ ARG A 3 8.582 -10.015 7.132 1.00 0.00 C ATOM 37 NH1 ARG A 3 8.383 -10.340 5.862 1.00 0.00 N ATOM 38 NH2 ARG A 3 9.112 -10.910 7.962 1.00 0.00 N ATOM 0 H ARG A 3 7.368 -4.063 8.707 1.00 0.00 H new ATOM 0 HA ARG A 3 8.385 -3.939 6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.101 -5.396 7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.457 -5.560 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.792 -6.312 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.378 -6.208 7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.397 -7.805 7.349 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.271 -8.105 5.860 1.00 0.00 H new ATOM 0 HE ARG A 3 8.574 -8.553 8.522 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.957 -9.668 5.224 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.656 -11.262 5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.248 -10.676 8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.382 -11.830 7.615 1.00 0.00 H new ATOM 52 N VAL A 4 6.620 -2.546 4.869 1.00 0.00 N ATOM 53 CA VAL A 4 5.753 -1.606 4.186 1.00 0.00 C ATOM 54 C VAL A 4 5.129 -2.400 3.035 1.00 0.00 C ATOM 55 O VAL A 4 5.709 -3.405 2.612 1.00 0.00 O ATOM 56 CB VAL A 4 6.650 -0.400 3.799 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.241 -0.540 2.398 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.021 0.984 3.973 1.00 0.00 C ATOM 0 H VAL A 4 7.404 -2.851 4.293 1.00 0.00 H new ATOM 0 HA VAL A 4 4.925 -1.186 4.757 1.00 0.00 H new ATOM 0 HB VAL A 4 7.451 -0.448 4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.860 0.329 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.851 -1.442 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.434 -0.607 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.737 1.749 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.128 1.059 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.749 1.131 5.018 1.00 0.00 H new ATOM 68 N ALA A 5 3.987 -1.971 2.494 1.00 0.00 N ATOM 69 CA ALA A 5 3.496 -2.511 1.234 1.00 0.00 C ATOM 70 C ALA A 5 3.258 -1.331 0.311 1.00 0.00 C ATOM 71 O ALA A 5 2.838 -0.259 0.760 1.00 0.00 O ATOM 72 CB ALA A 5 2.218 -3.326 1.429 1.00 0.00 C ATOM 0 H ALA A 5 3.391 -1.255 2.909 1.00 0.00 H new ATOM 0 HA ALA A 5 4.227 -3.197 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.882 -3.712 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.417 -4.158 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.442 -2.690 1.855 1.00 0.00 H new ATOM 78 N ILE A 6 3.496 -1.522 -0.980 1.00 0.00 N ATOM 79 CA ILE A 6 3.315 -0.491 -1.981 1.00 0.00 C ATOM 80 C ILE A 6 2.423 -1.092 -3.079 1.00 0.00 C ATOM 81 O ILE A 6 2.802 -2.108 -3.660 1.00 0.00 O ATOM 82 CB ILE A 6 4.662 0.041 -2.501 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.675 0.408 -1.393 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.390 1.302 -3.329 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.624 -0.739 -1.024 1.00 0.00 C ATOM 0 H ILE A 6 3.824 -2.409 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 6 2.827 0.389 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 6 5.110 -0.765 -3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.264 1.265 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.129 0.718 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.332 1.698 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.737 1.054 -4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.908 2.052 -2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.306 -0.409 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.044 -1.590 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.197 -1.034 -1.903 1.00 0.00 H new ATOM 97 N PRO A 7 1.228 -0.522 -3.320 1.00 0.00 N ATOM 98 CA PRO A 7 0.294 -0.905 -4.351 1.00 0.00 C ATOM 99 C PRO A 7 0.916 -0.559 -5.704 1.00 0.00 C ATOM 100 O PRO A 7 0.936 0.608 -6.087 1.00 0.00 O ATOM 101 CB PRO A 7 -0.976 -0.094 -4.051 1.00 0.00 C ATOM 102 CG PRO A 7 -0.503 1.167 -3.352 1.00 0.00 C ATOM 103 CD PRO A 7 0.815 0.742 -2.769 1.00 0.00 C ATOM 0 HA PRO A 7 0.057 -1.969 -4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.514 0.145 -4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.661 -0.659 -3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.390 1.998 -4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.202 1.490 -2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.571 1.499 -2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.731 0.662 -1.685 1.00 0.00 H new ATOM 111 N SER A 8 1.435 -1.550 -6.409 1.00 0.00 N ATOM 112 CA SER A 8 1.931 -1.439 -7.768 1.00 0.00 C ATOM 113 C SER A 8 0.797 -1.893 -8.712 1.00 0.00 C ATOM 114 O SER A 8 -0.232 -2.436 -8.280 1.00 0.00 O ATOM 115 CB SER A 8 3.187 -2.323 -7.853 1.00 0.00 C ATOM 116 OG SER A 8 3.738 -2.371 -9.156 1.00 0.00 O ATOM 0 H SER A 8 1.525 -2.494 -6.033 1.00 0.00 H new ATOM 0 HA SER A 8 2.210 -0.426 -8.057 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.939 -1.946 -7.160 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.936 -3.334 -7.532 1.00 0.00 H new ATOM 0 HG SER A 8 4.028 -3.286 -9.355 1.00 0.00 H new ATOM 122 N VAL A 9 1.011 -1.736 -10.019 1.00 0.00 N ATOM 123 CA VAL A 9 0.229 -2.384 -11.075 1.00 0.00 C ATOM 124 C VAL A 9 1.179 -3.198 -11.977 1.00 0.00 C ATOM 125 O VAL A 9 0.996 -3.277 -13.198 1.00 0.00 O ATOM 126 CB VAL A 9 -0.563 -1.315 -11.873 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.586 -0.564 -11.025 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.337 -0.227 -12.491 1.00 0.00 C ATOM 0 H VAL A 9 1.753 -1.138 -10.383 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.499 -3.071 -10.644 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.054 -1.904 -12.648 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.104 0.168 -11.644 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.309 -1.270 -10.616 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.076 -0.053 -10.208 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.279 0.489 -13.035 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.880 0.289 -11.699 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.048 -0.689 -13.176 1.00 0.00 H new ATOM 138 N GLY A 10 2.186 -3.847 -11.389 1.00 0.00 N ATOM 139 CA GLY A 10 3.025 -4.811 -12.079 1.00 0.00 C ATOM 140 C GLY A 10 4.132 -5.346 -11.183 1.00 0.00 C ATOM 141 O GLY A 10 4.288 -4.914 -10.035 1.00 0.00 O ATOM 0 H GLY A 10 2.439 -3.712 -10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.411 -5.640 -12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.465 -4.344 -12.960 1.00 0.00 H new ATOM 145 N LYS A 11 4.889 -6.306 -11.712 1.00 0.00 N ATOM 146 CA LYS A 11 5.787 -7.179 -10.955 1.00 0.00 C ATOM 147 C LYS A 11 7.219 -6.644 -11.011 1.00 0.00 C ATOM 148 O LYS A 11 8.172 -7.412 -11.115 1.00 0.00 O ATOM 149 CB LYS A 11 5.680 -8.610 -11.528 1.00 0.00 C ATOM 150 CG LYS A 11 4.352 -9.294 -11.274 1.00 0.00 C ATOM 151 CD LYS A 11 4.244 -10.612 -12.053 1.00 0.00 C ATOM 152 CE LYS A 11 3.467 -10.384 -13.353 1.00 0.00 C ATOM 153 NZ LYS A 11 3.850 -11.353 -14.393 1.00 0.00 N ATOM 0 H LYS A 11 4.895 -6.505 -12.712 1.00 0.00 H new ATOM 0 HA LYS A 11 5.499 -7.202 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.853 -8.570 -12.603 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.475 -9.219 -11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.240 -9.489 -10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.538 -8.630 -11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.239 -10.996 -12.276 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.741 -11.364 -11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.398 -10.464 -13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.650 -9.372 -13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.304 -11.168 -15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.865 -11.259 -14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.652 -12.318 -14.059 1.00 0.00 H new ATOM 167 N ASP A 12 7.393 -5.326 -10.933 1.00 0.00 N ATOM 168 CA ASP A 12 8.693 -4.676 -11.044 1.00 0.00 C ATOM 169 C ASP A 12 8.775 -3.590 -9.993 1.00 0.00 C ATOM 170 O ASP A 12 7.785 -2.951 -9.643 1.00 0.00 O ATOM 171 CB ASP A 12 8.877 -4.046 -12.433 1.00 0.00 C ATOM 172 CG ASP A 12 9.918 -4.725 -13.315 1.00 0.00 C ATOM 173 OD1 ASP A 12 9.540 -5.662 -14.051 1.00 0.00 O ATOM 174 OD2 ASP A 12 11.061 -4.205 -13.383 1.00 0.00 O ATOM 0 H ASP A 12 6.623 -4.673 -10.789 1.00 0.00 H new ATOM 0 HA ASP A 12 9.476 -5.420 -10.898 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.918 -4.060 -12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.156 -3.000 -12.307 1.00 0.00 H new ATOM 179 N LEU A 13 10.002 -3.312 -9.572 1.00 0.00 N ATOM 180 CA LEU A 13 10.377 -2.237 -8.649 1.00 0.00 C ATOM 181 C LEU A 13 10.427 -0.893 -9.391 1.00 0.00 C ATOM 182 O LEU A 13 10.669 0.162 -8.816 1.00 0.00 O ATOM 183 CB LEU A 13 11.717 -2.643 -8.010 1.00 0.00 C ATOM 184 CG LEU A 13 12.094 -2.114 -6.610 1.00 0.00 C ATOM 185 CD1 LEU A 13 12.258 -0.593 -6.519 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.134 -2.605 -5.522 1.00 0.00 C ATOM 0 H LEU A 13 10.808 -3.856 -9.879 1.00 0.00 H new ATOM 0 HA LEU A 13 9.642 -2.098 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.737 -3.732 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.508 -2.340 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 13 13.082 -2.540 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.523 -0.316 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.047 -0.271 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.321 -0.109 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.443 -2.205 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.123 -2.266 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.152 -3.694 -5.486 1.00 0.00 H new ATOM 198 N SER A 14 10.150 -0.892 -10.687 1.00 0.00 N ATOM 199 CA SER A 14 9.889 0.310 -11.446 1.00 0.00 C ATOM 200 C SER A 14 8.654 0.109 -12.312 1.00 0.00 C ATOM 201 O SER A 14 8.557 0.674 -13.404 1.00 0.00 O ATOM 202 CB SER A 14 11.115 0.618 -12.301 1.00 0.00 C ATOM 203 OG SER A 14 11.631 -0.564 -12.903 1.00 0.00 O ATOM 0 H SER A 14 10.101 -1.744 -11.245 1.00 0.00 H new ATOM 0 HA SER A 14 9.699 1.151 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.850 1.338 -13.075 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.885 1.081 -11.684 1.00 0.00 H new ATOM 0 HG SER A 14 12.415 -0.339 -13.447 1.00 0.00 H new ATOM 209 N SER A 15 7.648 -0.601 -11.797 1.00 0.00 N ATOM 210 CA SER A 15 6.305 -0.403 -12.319 1.00 0.00 C ATOM 211 C SER A 15 5.674 0.818 -11.644 1.00 0.00 C ATOM 212 O SER A 15 6.234 1.373 -10.701 1.00 0.00 O ATOM 213 CB SER A 15 5.452 -1.665 -12.121 1.00 0.00 C ATOM 214 OG SER A 15 5.859 -2.687 -13.009 1.00 0.00 O ATOM 0 H SER A 15 7.734 -1.290 -11.050 1.00 0.00 H new ATOM 0 HA SER A 15 6.356 -0.218 -13.392 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.542 -2.013 -11.092 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.401 -1.429 -12.287 1.00 0.00 H new ATOM 0 HG SER A 15 5.551 -3.554 -12.673 1.00 0.00 H new ATOM 220 N MET A 16 4.494 1.246 -12.083 1.00 0.00 N ATOM 221 CA MET A 16 3.850 2.416 -11.501 1.00 0.00 C ATOM 222 C MET A 16 3.209 2.027 -10.169 1.00 0.00 C ATOM 223 O MET A 16 2.609 0.955 -10.051 1.00 0.00 O ATOM 224 CB MET A 16 2.779 2.951 -12.459 1.00 0.00 C ATOM 225 CG MET A 16 3.330 4.065 -13.360 1.00 0.00 C ATOM 226 SD MET A 16 2.248 5.511 -13.526 1.00 0.00 S ATOM 227 CE MET A 16 2.047 5.968 -11.788 1.00 0.00 C ATOM 0 H MET A 16 3.968 0.802 -12.836 1.00 0.00 H new ATOM 0 HA MET A 16 4.593 3.195 -11.333 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.403 2.136 -13.077 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.934 3.331 -11.885 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.292 4.391 -12.964 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.517 3.652 -14.351 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.164 7.046 -11.679 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.054 5.674 -11.447 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.802 5.459 -11.188 1.00 0.00 H new ATOM 237 N VAL A 17 3.339 2.910 -9.175 1.00 0.00 N ATOM 238 CA VAL A 17 2.535 2.859 -7.959 1.00 0.00 C ATOM 239 C VAL A 17 1.113 3.234 -8.373 1.00 0.00 C ATOM 240 O VAL A 17 0.891 3.922 -9.371 1.00 0.00 O ATOM 241 CB VAL A 17 3.103 3.812 -6.879 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.365 3.825 -5.534 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.552 3.515 -6.527 1.00 0.00 C ATOM 0 H VAL A 17 4.007 3.680 -9.195 1.00 0.00 H new ATOM 0 HA VAL A 17 2.549 1.867 -7.508 1.00 0.00 H new ATOM 0 HB VAL A 17 2.977 4.776 -7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.852 4.528 -4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.330 4.129 -5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.388 2.827 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.892 4.216 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.632 2.497 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.171 3.618 -7.418 1.00 0.00 H new ATOM 253 N SER A 18 0.147 2.751 -7.611 1.00 0.00 N ATOM 254 CA SER A 18 -1.258 2.806 -7.937 1.00 0.00 C ATOM 255 C SER A 18 -2.012 3.610 -6.886 1.00 0.00 C ATOM 256 O SER A 18 -1.607 3.669 -5.724 1.00 0.00 O ATOM 257 CB SER A 18 -1.737 1.367 -7.996 1.00 0.00 C ATOM 258 OG SER A 18 -2.835 1.284 -8.870 1.00 0.00 O ATOM 0 H SER A 18 0.331 2.295 -6.718 1.00 0.00 H new ATOM 0 HA SER A 18 -1.435 3.304 -8.890 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.933 0.717 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.021 1.024 -7.001 1.00 0.00 H new ATOM 0 HG SER A 18 -3.149 0.357 -8.914 1.00 0.00 H new ATOM 264 N ASP A 19 -3.143 4.208 -7.274 1.00 0.00 N ATOM 265 CA ASP A 19 -3.745 5.252 -6.452 1.00 0.00 C ATOM 266 C ASP A 19 -4.951 4.724 -5.684 1.00 0.00 C ATOM 267 O ASP A 19 -5.891 5.459 -5.368 1.00 0.00 O ATOM 268 CB ASP A 19 -4.200 6.373 -7.404 1.00 0.00 C ATOM 269 CG ASP A 19 -3.060 7.301 -7.784 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.712 8.180 -6.963 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.558 7.202 -8.927 1.00 0.00 O ATOM 0 H ASP A 19 -3.648 3.991 -8.133 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.019 5.611 -5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.623 5.932 -8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.993 6.950 -6.930 1.00 0.00 H new ATOM 276 N ARG A 20 -4.894 3.467 -5.240 1.00 0.00 N ATOM 277 CA ARG A 20 -6.046 2.858 -4.579 1.00 0.00 C ATOM 278 C ARG A 20 -5.569 1.650 -3.812 1.00 0.00 C ATOM 279 O ARG A 20 -5.317 0.609 -4.420 1.00 0.00 O ATOM 280 CB ARG A 20 -7.062 2.331 -5.622 1.00 0.00 C ATOM 281 CG ARG A 20 -7.779 3.347 -6.500 1.00 0.00 C ATOM 282 CD ARG A 20 -8.572 2.673 -7.616 1.00 0.00 C ATOM 283 NE ARG A 20 -9.016 3.721 -8.542 1.00 0.00 N ATOM 284 CZ ARG A 20 -10.255 4.060 -8.889 1.00 0.00 C ATOM 285 NH1 ARG A 20 -11.302 3.276 -8.614 1.00 0.00 N ATOM 286 NH2 ARG A 20 -10.437 5.222 -9.501 1.00 0.00 N ATOM 0 H ARG A 20 -4.078 2.861 -5.324 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.511 3.608 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.537 1.635 -6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.820 1.757 -5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.452 3.946 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.050 4.031 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.955 1.940 -8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.428 2.136 -7.207 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.272 4.265 -8.980 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.162 2.391 -8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.241 3.562 -8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.639 5.828 -9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.375 5.510 -9.780 1.00 0.00 H new ATOM 300 N PHE A 21 -5.504 1.724 -2.491 1.00 0.00 N ATOM 301 CA PHE A 21 -5.077 0.574 -1.721 1.00 0.00 C ATOM 302 C PHE A 21 -5.882 -0.709 -2.018 1.00 0.00 C ATOM 303 O PHE A 21 -5.277 -1.705 -2.385 1.00 0.00 O ATOM 304 CB PHE A 21 -5.105 0.928 -0.244 1.00 0.00 C ATOM 305 CG PHE A 21 -4.693 -0.211 0.648 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.599 -1.017 0.294 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.455 -0.511 1.788 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.273 -2.143 1.054 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.109 -1.630 2.568 1.00 0.00 C ATOM 310 CZ PHE A 21 -4.012 -2.441 2.212 1.00 0.00 C ATOM 0 H PHE A 21 -5.737 2.552 -1.942 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.058 0.335 -2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.443 1.776 -0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.111 1.247 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.005 -0.765 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.296 0.109 2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.456 -2.782 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.689 -1.870 3.447 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.741 -3.287 2.826 1.00 0.00 H new ATOM 320 N ALA A 22 -7.217 -0.733 -1.888 1.00 0.00 N ATOM 321 CA ALA A 22 -7.965 -1.982 -2.065 1.00 0.00 C ATOM 322 C ALA A 22 -8.105 -2.375 -3.532 1.00 0.00 C ATOM 323 O ALA A 22 -8.598 -3.461 -3.837 1.00 0.00 O ATOM 324 CB ALA A 22 -9.332 -1.881 -1.385 1.00 0.00 C ATOM 0 H ALA A 22 -7.789 0.081 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.393 -2.777 -1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.877 -2.815 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.196 -1.695 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.898 -1.061 -1.827 1.00 0.00 H new ATOM 330 N ARG A 23 -7.669 -1.514 -4.450 1.00 0.00 N ATOM 331 CA ARG A 23 -7.808 -1.705 -5.874 1.00 0.00 C ATOM 332 C ARG A 23 -6.449 -1.623 -6.539 1.00 0.00 C ATOM 333 O ARG A 23 -6.310 -1.029 -7.614 1.00 0.00 O ATOM 334 CB ARG A 23 -8.782 -0.634 -6.379 1.00 0.00 C ATOM 335 CG ARG A 23 -10.038 -1.306 -6.904 1.00 0.00 C ATOM 336 CD ARG A 23 -9.733 -1.952 -8.261 1.00 0.00 C ATOM 337 NE ARG A 23 -9.710 -0.955 -9.339 1.00 0.00 N ATOM 338 CZ ARG A 23 -9.084 -1.066 -10.516 1.00 0.00 C ATOM 339 NH1 ARG A 23 -8.289 -2.097 -10.772 1.00 0.00 N ATOM 340 NH2 ARG A 23 -9.275 -0.144 -11.449 1.00 0.00 N ATOM 0 H ARG A 23 -7.197 -0.643 -4.206 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.206 -2.690 -6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.034 0.054 -5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.315 -0.044 -7.167 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.384 -2.061 -6.198 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.840 -0.575 -7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.770 -2.461 -8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.484 -2.710 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.224 -0.090 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.148 -2.820 -10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.819 -2.167 -11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.896 0.644 -11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.801 -0.223 -12.349 1.00 0.00 H new ATOM 354 N ALA A 24 -5.434 -2.179 -5.889 1.00 0.00 N ATOM 355 CA ALA A 24 -4.136 -2.253 -6.515 1.00 0.00 C ATOM 356 C ALA A 24 -4.058 -3.612 -7.204 1.00 0.00 C ATOM 357 O ALA A 24 -5.032 -4.370 -7.134 1.00 0.00 O ATOM 358 CB ALA A 24 -3.027 -2.026 -5.467 1.00 0.00 C ATOM 0 H ALA A 24 -5.488 -2.575 -4.950 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.990 -1.472 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.052 -2.084 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.150 -1.042 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.095 -2.791 -4.694 1.00 0.00 H new ATOM 364 N GLU A 25 -2.953 -3.919 -7.879 1.00 0.00 N ATOM 365 CA GLU A 25 -2.800 -5.229 -8.500 1.00 0.00 C ATOM 366 C GLU A 25 -1.613 -6.031 -8.013 1.00 0.00 C ATOM 367 O GLU A 25 -1.576 -7.251 -8.178 1.00 0.00 O ATOM 368 CB GLU A 25 -2.846 -5.113 -10.024 1.00 0.00 C ATOM 369 CG GLU A 25 -4.271 -5.377 -10.509 1.00 0.00 C ATOM 370 CD GLU A 25 -4.246 -6.172 -11.819 1.00 0.00 C ATOM 371 OE1 GLU A 25 -4.176 -5.562 -12.910 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.285 -7.425 -11.771 1.00 0.00 O ATOM 0 H GLU A 25 -2.162 -3.288 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.658 -5.816 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.522 -4.119 -10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.158 -5.828 -10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.825 -5.930 -9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.793 -4.432 -10.659 1.00 0.00 H new ATOM 379 N TYR A 26 -0.651 -5.375 -7.386 1.00 0.00 N ATOM 380 CA TYR A 26 0.507 -6.023 -6.841 1.00 0.00 C ATOM 381 C TYR A 26 0.871 -5.241 -5.594 1.00 0.00 C ATOM 382 O TYR A 26 0.527 -4.063 -5.472 1.00 0.00 O ATOM 383 CB TYR A 26 1.629 -5.992 -7.899 1.00 0.00 C ATOM 384 CG TYR A 26 1.345 -6.826 -9.133 1.00 0.00 C ATOM 385 CD1 TYR A 26 0.585 -6.283 -10.185 1.00 0.00 C ATOM 386 CD2 TYR A 26 1.813 -8.147 -9.230 1.00 0.00 C ATOM 387 CE1 TYR A 26 0.220 -7.071 -11.286 1.00 0.00 C ATOM 388 CE2 TYR A 26 1.483 -8.933 -10.347 1.00 0.00 C ATOM 389 CZ TYR A 26 0.636 -8.415 -11.350 1.00 0.00 C ATOM 390 OH TYR A 26 0.213 -9.209 -12.370 1.00 0.00 O ATOM 0 H TYR A 26 -0.662 -4.365 -7.245 1.00 0.00 H new ATOM 0 HA TYR A 26 0.337 -7.068 -6.583 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.797 -4.959 -8.204 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.554 -6.344 -7.442 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.279 -5.248 -10.144 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.428 -8.560 -8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.377 -6.649 -12.081 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.878 -9.934 -10.438 1.00 0.00 H new ATOM 0 HH TYR A 26 0.062 -8.662 -13.169 1.00 0.00 H new ATOM 400 N PHE A 27 1.565 -5.886 -4.672 1.00 0.00 N ATOM 401 CA PHE A 27 2.005 -5.305 -3.427 1.00 0.00 C ATOM 402 C PHE A 27 3.453 -5.664 -3.256 1.00 0.00 C ATOM 403 O PHE A 27 3.799 -6.815 -3.004 1.00 0.00 O ATOM 404 CB PHE A 27 1.153 -5.770 -2.260 1.00 0.00 C ATOM 405 CG PHE A 27 -0.139 -5.015 -2.215 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.142 -3.678 -1.786 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.312 -5.625 -2.682 1.00 0.00 C ATOM 408 CE1 PHE A 27 -1.337 -2.954 -1.800 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.505 -4.896 -2.716 1.00 0.00 C ATOM 410 CZ PHE A 27 -2.513 -3.568 -2.259 1.00 0.00 C ATOM 0 H PHE A 27 1.844 -6.861 -4.779 1.00 0.00 H new ATOM 0 HA PHE A 27 1.893 -4.221 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.953 -6.838 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.697 -5.626 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.772 -3.213 -1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.294 -6.653 -3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.356 -1.929 -1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.411 -5.350 -3.090 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.438 -3.011 -2.261 1.00 0.00 H new ATOM 420 N ILE A 28 4.289 -4.669 -3.474 1.00 0.00 N ATOM 421 CA ILE A 28 5.711 -4.781 -3.272 1.00 0.00 C ATOM 422 C ILE A 28 5.889 -4.616 -1.775 1.00 0.00 C ATOM 423 O ILE A 28 5.407 -3.630 -1.223 1.00 0.00 O ATOM 424 CB ILE A 28 6.415 -3.771 -4.193 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.913 -3.898 -5.659 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.929 -3.976 -4.109 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.794 -5.334 -6.188 1.00 0.00 C ATOM 0 H ILE A 28 3.991 -3.750 -3.801 1.00 0.00 H new ATOM 0 HA ILE A 28 6.173 -5.728 -3.550 1.00 0.00 H new ATOM 0 HB ILE A 28 6.174 -2.762 -3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.937 -3.418 -5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.592 -3.344 -6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.430 -3.261 -4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.260 -3.824 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.177 -4.990 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.437 -5.314 -7.218 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.770 -5.817 -6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.090 -5.892 -5.570 1.00 0.00 H new ATOM 439 N ILE A 29 6.435 -5.628 -1.106 1.00 0.00 N ATOM 440 CA ILE A 29 6.599 -5.656 0.341 1.00 0.00 C ATOM 441 C ILE A 29 8.088 -5.576 0.584 1.00 0.00 C ATOM 442 O ILE A 29 8.814 -6.505 0.246 1.00 0.00 O ATOM 443 CB ILE A 29 5.942 -6.891 0.988 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.425 -6.840 0.720 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.244 -6.940 2.501 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.685 -8.063 1.254 1.00 0.00 C ATOM 0 H ILE A 29 6.783 -6.469 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 29 6.086 -4.819 0.815 1.00 0.00 H new ATOM 0 HB ILE A 29 6.353 -7.801 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.010 -5.942 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.254 -6.758 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.771 -7.819 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.322 -6.993 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.853 -6.042 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.621 -7.969 1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.076 -8.962 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.829 -8.133 2.332 1.00 0.00 H new ATOM 458 N TYR A 30 8.527 -4.435 1.098 1.00 0.00 N ATOM 459 CA TYR A 30 9.917 -4.126 1.383 1.00 0.00 C ATOM 460 C TYR A 30 10.138 -4.378 2.879 1.00 0.00 C ATOM 461 O TYR A 30 9.623 -3.654 3.739 1.00 0.00 O ATOM 462 CB TYR A 30 10.151 -2.652 0.995 1.00 0.00 C ATOM 463 CG TYR A 30 11.602 -2.224 0.963 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.377 -2.480 -0.182 1.00 0.00 C ATOM 465 CD2 TYR A 30 12.203 -1.669 2.108 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.766 -2.244 -0.164 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.588 -1.408 2.125 1.00 0.00 C ATOM 468 CZ TYR A 30 14.373 -1.714 0.991 1.00 0.00 C ATOM 469 OH TYR A 30 15.721 -1.542 1.018 1.00 0.00 O ATOM 0 H TYR A 30 7.896 -3.670 1.337 1.00 0.00 H new ATOM 0 HA TYR A 30 10.620 -4.741 0.822 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.714 -2.476 0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.615 -2.016 1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.906 -2.858 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.601 -1.442 2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.364 -2.469 -1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 30 14.047 -0.976 3.002 1.00 0.00 H new ATOM 0 HH TYR A 30 15.986 -1.166 1.884 1.00 0.00 H new ATOM 479 N ASP A 31 10.874 -5.437 3.192 1.00 0.00 N ATOM 480 CA ASP A 31 11.332 -5.796 4.530 1.00 0.00 C ATOM 481 C ASP A 31 12.549 -4.944 4.907 1.00 0.00 C ATOM 482 O ASP A 31 13.668 -5.221 4.464 1.00 0.00 O ATOM 483 CB ASP A 31 11.754 -7.277 4.543 1.00 0.00 C ATOM 484 CG ASP A 31 10.676 -8.212 5.061 1.00 0.00 C ATOM 485 OD1 ASP A 31 9.551 -8.243 4.507 1.00 0.00 O ATOM 486 OD2 ASP A 31 11.004 -8.968 6.001 1.00 0.00 O ATOM 0 H ASP A 31 11.184 -6.103 2.484 1.00 0.00 H new ATOM 0 HA ASP A 31 10.523 -5.625 5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.028 -7.577 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.646 -7.387 5.160 1.00 0.00 H new ATOM 491 N THR A 32 12.373 -3.911 5.736 1.00 0.00 N ATOM 492 CA THR A 32 13.418 -2.942 6.098 1.00 0.00 C ATOM 493 C THR A 32 14.557 -3.473 6.952 1.00 0.00 C ATOM 494 O THR A 32 15.296 -2.680 7.537 1.00 0.00 O ATOM 495 CB THR A 32 12.754 -1.716 6.744 1.00 0.00 C ATOM 496 OG1 THR A 32 11.887 -2.075 7.804 1.00 0.00 O ATOM 497 CG2 THR A 32 11.969 -0.924 5.703 1.00 0.00 C ATOM 0 H THR A 32 11.478 -3.718 6.187 1.00 0.00 H new ATOM 0 HA THR A 32 13.916 -2.675 5.166 1.00 0.00 H new ATOM 0 HB THR A 32 13.556 -1.102 7.153 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.957 -1.951 7.522 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.505 -0.059 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.644 -0.588 4.916 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.196 -1.559 5.270 1.00 0.00 H new ATOM 505 N GLU A 33 14.709 -4.790 7.038 1.00 0.00 N ATOM 506 CA GLU A 33 15.536 -5.430 8.018 1.00 0.00 C ATOM 507 C GLU A 33 16.627 -6.264 7.401 1.00 0.00 C ATOM 508 O GLU A 33 17.636 -6.542 8.055 1.00 0.00 O ATOM 509 CB GLU A 33 14.623 -6.308 8.874 1.00 0.00 C ATOM 510 CG GLU A 33 15.119 -6.346 10.310 1.00 0.00 C ATOM 511 CD GLU A 33 14.021 -6.802 11.264 1.00 0.00 C ATOM 512 OE1 GLU A 33 13.004 -6.076 11.371 1.00 0.00 O ATOM 513 OE2 GLU A 33 14.145 -7.861 11.914 1.00 0.00 O ATOM 0 H GLU A 33 14.245 -5.444 6.408 1.00 0.00 H new ATOM 0 HA GLU A 33 16.038 -4.668 8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.604 -5.922 8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.593 -7.318 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.972 -7.021 10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 33 15.469 -5.356 10.602 1.00 0.00 H new ATOM 520 N SER A 34 16.458 -6.612 6.130 1.00 0.00 N ATOM 521 CA SER A 34 17.577 -6.984 5.311 1.00 0.00 C ATOM 522 C SER A 34 17.274 -6.685 3.837 1.00 0.00 C ATOM 523 O SER A 34 17.647 -7.457 2.958 1.00 0.00 O ATOM 524 CB SER A 34 17.892 -8.453 5.642 1.00 0.00 C ATOM 525 OG SER A 34 18.920 -8.447 6.613 1.00 0.00 O ATOM 0 H SER A 34 15.555 -6.640 5.657 1.00 0.00 H new ATOM 0 HA SER A 34 18.475 -6.401 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.006 -8.961 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.209 -8.990 4.748 1.00 0.00 H new ATOM 0 HG SER A 34 18.705 -7.795 7.313 1.00 0.00 H new ATOM 531 N GLY A 35 16.600 -5.553 3.593 1.00 0.00 N ATOM 532 CA GLY A 35 16.289 -4.937 2.304 1.00 0.00 C ATOM 533 C GLY A 35 15.677 -5.862 1.248 1.00 0.00 C ATOM 534 O GLY A 35 15.657 -5.504 0.071 1.00 0.00 O ATOM 0 H GLY A 35 16.227 -4.999 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.601 -4.109 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.206 -4.510 1.897 1.00 0.00 H new ATOM 538 N ASN A 36 15.166 -7.032 1.638 1.00 0.00 N ATOM 539 CA ASN A 36 14.556 -7.980 0.721 1.00 0.00 C ATOM 540 C ASN A 36 13.157 -7.498 0.342 1.00 0.00 C ATOM 541 O ASN A 36 12.464 -6.912 1.174 1.00 0.00 O ATOM 542 CB ASN A 36 14.503 -9.362 1.383 1.00 0.00 C ATOM 543 CG ASN A 36 14.109 -10.459 0.406 1.00 0.00 C ATOM 544 OD1 ASN A 36 13.250 -11.287 0.701 1.00 0.00 O ATOM 545 ND2 ASN A 36 14.735 -10.514 -0.757 1.00 0.00 N ATOM 0 H ASN A 36 15.167 -7.345 2.609 1.00 0.00 H new ATOM 0 HA ASN A 36 15.150 -8.054 -0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.478 -9.594 1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.790 -9.340 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.507 -11.251 -1.424 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.446 -9.819 -0.987 1.00 0.00 H new ATOM 552 N VAL A 37 12.736 -7.728 -0.897 1.00 0.00 N ATOM 553 CA VAL A 37 11.463 -7.284 -1.430 1.00 0.00 C ATOM 554 C VAL A 37 10.728 -8.474 -2.035 1.00 0.00 C ATOM 555 O VAL A 37 11.310 -9.270 -2.781 1.00 0.00 O ATOM 556 CB VAL A 37 11.618 -6.153 -2.464 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.368 -5.274 -2.417 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.842 -5.258 -2.248 1.00 0.00 C ATOM 0 H VAL A 37 13.293 -8.246 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 37 10.880 -6.870 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 37 11.754 -6.640 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.463 -4.468 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.491 -5.876 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.258 -4.851 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.872 -4.490 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.778 -4.785 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.748 -5.862 -2.301 1.00 0.00 H new ATOM 568 N GLU A 38 9.429 -8.542 -1.785 1.00 0.00 N ATOM 569 CA GLU A 38 8.508 -9.554 -2.280 1.00 0.00 C ATOM 570 C GLU A 38 7.511 -8.870 -3.215 1.00 0.00 C ATOM 571 O GLU A 38 7.163 -7.712 -2.993 1.00 0.00 O ATOM 572 CB GLU A 38 7.827 -10.219 -1.065 1.00 0.00 C ATOM 573 CG GLU A 38 6.537 -11.007 -1.333 1.00 0.00 C ATOM 574 CD GLU A 38 6.744 -12.233 -2.224 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.423 -12.150 -3.265 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.188 -13.314 -1.917 1.00 0.00 O ATOM 0 H GLU A 38 8.962 -7.852 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 38 9.014 -10.336 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.546 -10.894 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.603 -9.441 -0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.112 -11.327 -0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.808 -10.346 -1.802 1.00 0.00 H new ATOM 583 N VAL A 39 7.017 -9.596 -4.220 1.00 0.00 N ATOM 584 CA VAL A 39 5.824 -9.250 -4.974 1.00 0.00 C ATOM 585 C VAL A 39 4.718 -10.160 -4.454 1.00 0.00 C ATOM 586 O VAL A 39 4.715 -11.375 -4.685 1.00 0.00 O ATOM 587 CB VAL A 39 5.998 -9.430 -6.498 1.00 0.00 C ATOM 588 CG1 VAL A 39 4.786 -8.836 -7.227 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.269 -8.784 -7.046 1.00 0.00 C ATOM 0 H VAL A 39 7.452 -10.463 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 39 5.593 -8.194 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 39 6.080 -10.502 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.910 -8.964 -8.302 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.880 -9.348 -6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.706 -7.774 -6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.327 -8.950 -8.122 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.249 -7.713 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.140 -9.228 -6.564 1.00 0.00 H new ATOM 599 N VAL A 40 3.757 -9.572 -3.763 1.00 0.00 N ATOM 600 CA VAL A 40 2.420 -10.117 -3.697 1.00 0.00 C ATOM 601 C VAL A 40 1.776 -9.707 -5.020 1.00 0.00 C ATOM 602 O VAL A 40 1.823 -8.544 -5.415 1.00 0.00 O ATOM 603 CB VAL A 40 1.726 -9.536 -2.455 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.190 -9.538 -2.520 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.164 -10.315 -1.208 1.00 0.00 C ATOM 0 H VAL A 40 3.884 -8.708 -3.236 1.00 0.00 H new ATOM 0 HA VAL A 40 2.365 -11.200 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 40 2.035 -8.492 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.214 -9.111 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.139 -8.943 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.168 -10.561 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.671 -9.901 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.889 -11.364 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.245 -10.234 -1.089 1.00 0.00 H new ATOM 615 N GLU A 41 1.201 -10.666 -5.723 1.00 0.00 N ATOM 616 CA GLU A 41 0.207 -10.443 -6.758 1.00 0.00 C ATOM 617 C GLU A 41 -1.125 -10.329 -6.017 1.00 0.00 C ATOM 618 O GLU A 41 -1.357 -11.073 -5.060 1.00 0.00 O ATOM 619 CB GLU A 41 0.251 -11.662 -7.692 1.00 0.00 C ATOM 620 CG GLU A 41 -0.951 -11.826 -8.632 1.00 0.00 C ATOM 621 CD GLU A 41 -1.019 -13.264 -9.142 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.383 -14.165 -8.353 1.00 0.00 O ATOM 623 OE2 GLU A 41 -0.635 -13.517 -10.311 1.00 0.00 O ATOM 0 H GLU A 41 1.420 -11.653 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 41 0.369 -9.550 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.156 -11.600 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.336 -12.561 -7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.872 -11.573 -8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.864 -11.137 -9.472 1.00 0.00 H new ATOM 630 N ASN A 42 -2.008 -9.427 -6.436 1.00 0.00 N ATOM 631 CA ASN A 42 -3.347 -9.308 -5.904 1.00 0.00 C ATOM 632 C ASN A 42 -4.260 -8.961 -7.069 1.00 0.00 C ATOM 633 O ASN A 42 -4.357 -7.804 -7.452 1.00 0.00 O ATOM 634 CB ASN A 42 -3.381 -8.258 -4.768 1.00 0.00 C ATOM 635 CG ASN A 42 -3.530 -8.824 -3.346 1.00 0.00 C ATOM 636 OD1 ASN A 42 -3.814 -10.102 -3.141 1.00 0.00 O flip ATOM 637 ND2 ASN A 42 -3.417 -8.081 -2.380 1.00 0.00 N flip ATOM 0 H ASN A 42 -1.801 -8.749 -7.169 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.690 -10.239 -5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.464 -7.671 -4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.207 -7.572 -4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.199 -7.094 -2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.541 -8.449 -1.437 1.00 0.00 H new ATOM 644 N THR A 43 -4.979 -9.928 -7.629 1.00 0.00 N ATOM 645 CA THR A 43 -5.769 -9.734 -8.843 1.00 0.00 C ATOM 646 C THR A 43 -7.124 -9.032 -8.563 1.00 0.00 C ATOM 647 O THR A 43 -8.189 -9.591 -8.853 1.00 0.00 O ATOM 648 CB THR A 43 -5.889 -11.116 -9.528 1.00 0.00 C ATOM 649 OG1 THR A 43 -6.416 -12.113 -8.663 1.00 0.00 O ATOM 650 CG2 THR A 43 -4.515 -11.643 -9.966 1.00 0.00 C ATOM 0 H THR A 43 -5.031 -10.874 -7.252 1.00 0.00 H new ATOM 0 HA THR A 43 -5.275 -9.044 -9.527 1.00 0.00 H new ATOM 0 HB THR A 43 -6.554 -10.949 -10.375 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.473 -12.965 -9.143 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.634 -12.616 -10.444 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.065 -10.944 -10.672 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.869 -11.744 -9.094 1.00 0.00 H new ATOM 658 N ILE A 44 -7.139 -7.845 -7.939 1.00 0.00 N ATOM 659 CA ILE A 44 -8.343 -7.242 -7.374 1.00 0.00 C ATOM 660 C ILE A 44 -9.065 -6.449 -8.468 1.00 0.00 C ATOM 661 O ILE A 44 -8.418 -5.858 -9.333 1.00 0.00 O ATOM 662 CB ILE A 44 -8.009 -6.367 -6.130 1.00 0.00 C ATOM 663 CG1 ILE A 44 -6.721 -6.730 -5.367 1.00 0.00 C ATOM 664 CG2 ILE A 44 -9.125 -6.455 -5.076 1.00 0.00 C ATOM 665 CD1 ILE A 44 -6.691 -8.190 -4.901 1.00 0.00 C ATOM 0 H ILE A 44 -6.303 -7.275 -7.814 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.011 -8.026 -7.018 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.888 -5.378 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.860 -6.542 -6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.622 -6.076 -4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.865 -5.834 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.062 -6.103 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.240 -7.490 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.759 -8.383 -4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.533 -8.377 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.759 -8.850 -5.766 1.00 0.00 H new ATOM 677 N ALA A 45 -10.394 -6.380 -8.387 1.00 0.00 N ATOM 678 CA ALA A 45 -11.264 -5.697 -9.346 1.00 0.00 C ATOM 679 C ALA A 45 -12.091 -4.610 -8.651 1.00 0.00 C ATOM 680 O ALA A 45 -12.264 -4.625 -7.429 1.00 0.00 O ATOM 681 CB ALA A 45 -12.172 -6.725 -10.027 1.00 0.00 C ATOM 0 H ALA A 45 -10.914 -6.814 -7.624 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.650 -5.208 -10.103 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.821 -6.220 -10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.561 -7.461 -10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.781 -7.227 -9.275 1.00 0.00 H new ATOM 687 N ASP A 46 -12.601 -3.644 -9.419 1.00 0.00 N ATOM 688 CA ASP A 46 -13.281 -2.428 -8.925 1.00 0.00 C ATOM 689 C ASP A 46 -14.780 -2.703 -8.702 1.00 0.00 C ATOM 690 O ASP A 46 -15.645 -1.876 -8.982 1.00 0.00 O ATOM 691 CB ASP A 46 -13.044 -1.284 -9.935 1.00 0.00 C ATOM 692 CG ASP A 46 -13.054 0.127 -9.332 1.00 0.00 C ATOM 693 OD1 ASP A 46 -11.990 0.571 -8.835 1.00 0.00 O ATOM 694 OD2 ASP A 46 -14.073 0.841 -9.459 1.00 0.00 O ATOM 0 H ASP A 46 -12.554 -3.681 -10.437 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.870 -2.130 -7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.084 -1.446 -10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.811 -1.338 -10.708 1.00 0.00 H new ATOM 699 N ALA A 47 -15.096 -3.897 -8.191 1.00 0.00 N ATOM 700 CA ALA A 47 -16.448 -4.432 -8.071 1.00 0.00 C ATOM 701 C ALA A 47 -16.819 -4.597 -6.594 1.00 0.00 C ATOM 702 O ALA A 47 -15.997 -4.364 -5.701 1.00 0.00 O ATOM 703 CB ALA A 47 -16.526 -5.759 -8.839 1.00 0.00 C ATOM 0 H ALA A 47 -14.387 -4.539 -7.837 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.171 -3.742 -8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -17.533 -6.169 -8.756 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.290 -5.586 -9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.811 -6.466 -8.418 1.00 0.00 H new ATOM 709 N HIS A 48 -18.057 -5.008 -6.306 1.00 0.00 N ATOM 710 CA HIS A 48 -18.446 -5.434 -4.959 1.00 0.00 C ATOM 711 C HIS A 48 -17.673 -6.703 -4.574 1.00 0.00 C ATOM 712 O HIS A 48 -17.042 -7.334 -5.432 1.00 0.00 O ATOM 713 CB HIS A 48 -19.969 -5.636 -4.899 1.00 0.00 C ATOM 714 CG HIS A 48 -20.671 -4.395 -4.424 1.00 0.00 C ATOM 715 ND1 HIS A 48 -20.979 -4.119 -3.115 1.00 0.00 N ATOM 716 CD2 HIS A 48 -21.058 -3.326 -5.183 1.00 0.00 C ATOM 717 CE1 HIS A 48 -21.532 -2.896 -3.080 1.00 0.00 C ATOM 718 NE2 HIS A 48 -21.569 -2.358 -4.313 1.00 0.00 N ATOM 0 H HIS A 48 -18.811 -5.055 -6.992 1.00 0.00 H new ATOM 0 HA HIS A 48 -18.190 -4.663 -4.232 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -20.340 -5.910 -5.887 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -20.201 -6.465 -4.230 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -20.983 -3.244 -6.257 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -21.897 -2.411 -2.186 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -21.904 -1.428 -4.563 1.00 0.00 H new ATOM 726 N GLY A 49 -17.703 -7.092 -3.301 1.00 0.00 N ATOM 727 CA GLY A 49 -17.001 -8.281 -2.838 1.00 0.00 C ATOM 728 C GLY A 49 -16.790 -8.270 -1.332 1.00 0.00 C ATOM 729 O GLY A 49 -16.970 -7.245 -0.662 1.00 0.00 O ATOM 0 H GLY A 49 -18.211 -6.595 -2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -17.568 -9.169 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.035 -8.349 -3.339 1.00 0.00 H new ATOM 733 N THR A 50 -16.418 -9.426 -0.797 1.00 0.00 N ATOM 734 CA THR A 50 -16.337 -9.711 0.625 1.00 0.00 C ATOM 735 C THR A 50 -14.922 -9.498 1.162 1.00 0.00 C ATOM 736 O THR A 50 -13.934 -9.624 0.426 1.00 0.00 O ATOM 737 CB THR A 50 -16.785 -11.169 0.838 1.00 0.00 C ATOM 738 OG1 THR A 50 -16.309 -11.979 -0.221 1.00 0.00 O ATOM 739 CG2 THR A 50 -18.311 -11.265 0.863 1.00 0.00 C ATOM 0 H THR A 50 -16.153 -10.226 -1.372 1.00 0.00 H new ATOM 0 HA THR A 50 -16.985 -9.027 1.173 1.00 0.00 H new ATOM 0 HB THR A 50 -16.379 -11.510 1.790 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.596 -12.905 -0.079 1.00 0.00 H new ATOM 0 HG21 THR A 50 -18.608 -12.303 1.014 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.701 -10.654 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.714 -10.907 -0.085 1.00 0.00 H new ATOM 747 N GLY A 51 -14.849 -9.232 2.470 1.00 0.00 N ATOM 748 CA GLY A 51 -13.634 -9.227 3.270 1.00 0.00 C ATOM 749 C GLY A 51 -12.607 -8.187 2.842 1.00 0.00 C ATOM 750 O GLY A 51 -12.821 -7.433 1.885 1.00 0.00 O ATOM 0 H GLY A 51 -15.678 -9.004 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.900 -9.051 4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.176 -10.215 3.220 1.00 0.00 H new ATOM 754 N PRO A 52 -11.461 -8.147 3.538 1.00 0.00 N ATOM 755 CA PRO A 52 -10.327 -7.405 3.062 1.00 0.00 C ATOM 756 C PRO A 52 -9.647 -8.174 1.944 1.00 0.00 C ATOM 757 O PRO A 52 -9.446 -7.614 0.871 1.00 0.00 O ATOM 758 CB PRO A 52 -9.441 -7.193 4.281 1.00 0.00 C ATOM 759 CG PRO A 52 -9.718 -8.399 5.170 1.00 0.00 C ATOM 760 CD PRO A 52 -11.138 -8.837 4.782 1.00 0.00 C ATOM 0 HA PRO A 52 -10.590 -6.440 2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.389 -7.139 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.684 -6.260 4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.995 -9.196 4.997 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.657 -8.137 6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.188 -9.918 4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.851 -8.578 5.565 1.00 0.00 H new ATOM 768 N LYS A 53 -9.314 -9.453 2.174 1.00 0.00 N ATOM 769 CA LYS A 53 -8.502 -10.307 1.310 1.00 0.00 C ATOM 770 C LYS A 53 -7.080 -9.767 1.176 1.00 0.00 C ATOM 771 O LYS A 53 -6.156 -10.389 1.703 1.00 0.00 O ATOM 772 CB LYS A 53 -9.280 -10.622 0.016 1.00 0.00 C ATOM 773 CG LYS A 53 -8.494 -11.057 -1.230 1.00 0.00 C ATOM 774 CD LYS A 53 -8.194 -9.918 -2.218 1.00 0.00 C ATOM 775 CE LYS A 53 -9.429 -9.070 -2.580 1.00 0.00 C ATOM 776 NZ LYS A 53 -10.505 -9.876 -3.195 1.00 0.00 N ATOM 0 H LYS A 53 -9.623 -9.941 3.015 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.330 -11.286 1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.998 -11.409 0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.854 -9.734 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.552 -11.505 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.058 -11.833 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.431 -9.268 -1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.775 -10.342 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.810 -8.586 -1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.134 -8.278 -3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.307 -9.259 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.147 -10.332 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.819 -10.605 -2.524 1.00 0.00 H new ATOM 790 N VAL A 54 -6.910 -8.590 0.581 1.00 0.00 N ATOM 791 CA VAL A 54 -5.635 -7.922 0.391 1.00 0.00 C ATOM 792 C VAL A 54 -4.993 -7.689 1.760 1.00 0.00 C ATOM 793 O VAL A 54 -3.973 -8.292 2.073 1.00 0.00 O ATOM 794 CB VAL A 54 -5.801 -6.656 -0.493 1.00 0.00 C ATOM 795 CG1 VAL A 54 -7.165 -5.952 -0.427 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.671 -5.638 -0.313 1.00 0.00 C ATOM 0 H VAL A 54 -7.693 -8.056 0.203 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.940 -8.546 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.742 -7.079 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.159 -5.084 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.947 -6.642 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.359 -5.630 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.849 -4.779 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.639 -5.310 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.720 -6.100 -0.577 1.00 0.00 H new ATOM 806 N VAL A 55 -5.629 -6.879 2.605 1.00 0.00 N ATOM 807 CA VAL A 55 -5.216 -6.556 3.975 1.00 0.00 C ATOM 808 C VAL A 55 -5.007 -7.850 4.744 1.00 0.00 C ATOM 809 O VAL A 55 -3.900 -8.023 5.223 1.00 0.00 O ATOM 810 CB VAL A 55 -6.199 -5.543 4.615 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.508 -4.614 5.612 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.868 -4.656 3.545 1.00 0.00 C ATOM 0 H VAL A 55 -6.492 -6.404 2.341 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.256 -6.040 3.993 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.944 -6.147 5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.239 -3.923 6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.064 -5.205 6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.727 -4.050 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.551 -3.957 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.103 -4.100 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.423 -5.283 2.848 1.00 0.00 H new ATOM 822 N GLN A 56 -5.954 -8.800 4.729 1.00 0.00 N ATOM 823 CA GLN A 56 -5.784 -10.116 5.354 1.00 0.00 C ATOM 824 C GLN A 56 -4.435 -10.760 4.980 1.00 0.00 C ATOM 825 O GLN A 56 -3.842 -11.452 5.802 1.00 0.00 O ATOM 826 CB GLN A 56 -6.929 -11.076 4.952 1.00 0.00 C ATOM 827 CG GLN A 56 -7.996 -11.309 6.035 1.00 0.00 C ATOM 828 CD GLN A 56 -7.826 -12.638 6.785 1.00 0.00 C ATOM 829 OE1 GLN A 56 -6.756 -12.957 7.298 1.00 0.00 O ATOM 830 NE2 GLN A 56 -8.873 -13.444 6.873 1.00 0.00 N ATOM 0 H GLN A 56 -6.862 -8.675 4.281 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.807 -9.952 6.431 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.418 -10.681 4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.496 -12.038 4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.960 -10.489 6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.983 -11.285 5.573 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.760 -13.176 6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.793 -14.332 7.368 1.00 0.00 H new ATOM 839 N SER A 57 -3.969 -10.602 3.735 1.00 0.00 N ATOM 840 CA SER A 57 -2.683 -11.114 3.280 1.00 0.00 C ATOM 841 C SER A 57 -1.549 -10.248 3.811 1.00 0.00 C ATOM 842 O SER A 57 -0.675 -10.763 4.497 1.00 0.00 O ATOM 843 CB SER A 57 -2.646 -11.202 1.748 1.00 0.00 C ATOM 844 OG SER A 57 -1.702 -12.174 1.341 1.00 0.00 O ATOM 0 H SER A 57 -4.487 -10.107 3.009 1.00 0.00 H new ATOM 0 HA SER A 57 -2.550 -12.122 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.634 -11.461 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.386 -10.231 1.326 1.00 0.00 H new ATOM 0 HG SER A 57 -1.686 -12.225 0.362 1.00 0.00 H new ATOM 850 N LEU A 58 -1.540 -8.952 3.497 1.00 0.00 N ATOM 851 CA LEU A 58 -0.430 -8.043 3.783 1.00 0.00 C ATOM 852 C LEU A 58 -0.121 -8.016 5.280 1.00 0.00 C ATOM 853 O LEU A 58 1.033 -8.143 5.680 1.00 0.00 O ATOM 854 CB LEU A 58 -0.765 -6.637 3.260 1.00 0.00 C ATOM 855 CG LEU A 58 -1.014 -6.571 1.739 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.489 -5.170 1.354 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.212 -6.958 0.920 1.00 0.00 C ATOM 0 H LEU A 58 -2.321 -8.495 3.027 1.00 0.00 H new ATOM 0 HA LEU A 58 0.463 -8.402 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.651 -6.270 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.054 -5.963 3.512 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.787 -7.303 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.664 -5.128 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.415 -4.942 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.727 -4.440 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.024 -6.893 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.033 -6.280 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.505 -7.979 1.164 1.00 0.00 H new ATOM 869 N VAL A 59 -1.161 -7.940 6.102 1.00 0.00 N ATOM 870 CA VAL A 59 -1.120 -8.063 7.552 1.00 0.00 C ATOM 871 C VAL A 59 -0.419 -9.368 7.951 1.00 0.00 C ATOM 872 O VAL A 59 0.478 -9.355 8.789 1.00 0.00 O ATOM 873 CB VAL A 59 -2.581 -7.951 8.031 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.835 -8.460 9.449 1.00 0.00 C ATOM 875 CG2 VAL A 59 -3.056 -6.496 7.921 1.00 0.00 C ATOM 0 H VAL A 59 -2.107 -7.782 5.754 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.534 -7.280 8.032 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.151 -8.606 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.890 -8.340 9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.566 -9.514 9.511 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.230 -7.889 10.154 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.089 -6.424 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.425 -5.859 8.541 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.992 -6.170 6.883 1.00 0.00 H new ATOM 885 N SER A 60 -0.748 -10.484 7.300 1.00 0.00 N ATOM 886 CA SER A 60 -0.094 -11.770 7.482 1.00 0.00 C ATOM 887 C SER A 60 1.273 -11.880 6.780 1.00 0.00 C ATOM 888 O SER A 60 1.869 -12.962 6.783 1.00 0.00 O ATOM 889 CB SER A 60 -1.064 -12.868 7.036 1.00 0.00 C ATOM 890 OG SER A 60 -2.019 -13.081 8.056 1.00 0.00 O ATOM 0 H SER A 60 -1.500 -10.514 6.612 1.00 0.00 H new ATOM 0 HA SER A 60 0.143 -11.886 8.539 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.561 -12.578 6.110 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.520 -13.790 6.831 1.00 0.00 H new ATOM 0 HG SER A 60 -2.645 -13.782 7.777 1.00 0.00 H new ATOM 896 N LYS A 61 1.823 -10.806 6.209 1.00 0.00 N ATOM 897 CA LYS A 61 3.259 -10.647 5.979 1.00 0.00 C ATOM 898 C LYS A 61 3.744 -9.411 6.737 1.00 0.00 C ATOM 899 O LYS A 61 4.597 -8.686 6.243 1.00 0.00 O ATOM 900 CB LYS A 61 3.594 -10.556 4.481 1.00 0.00 C ATOM 901 CG LYS A 61 3.186 -11.790 3.667 1.00 0.00 C ATOM 902 CD LYS A 61 1.803 -11.676 3.011 1.00 0.00 C ATOM 903 CE LYS A 61 1.806 -12.193 1.573 1.00 0.00 C ATOM 904 NZ LYS A 61 2.061 -13.642 1.488 1.00 0.00 N ATOM 0 H LYS A 61 1.273 -10.009 5.888 1.00 0.00 H new ATOM 0 HA LYS A 61 3.778 -11.530 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.099 -9.679 4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.667 -10.400 4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.932 -11.963 2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.196 -12.663 4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.077 -12.239 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.482 -10.634 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.845 -11.970 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.567 -11.661 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.052 -13.938 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.990 -13.856 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.322 -14.156 2.009 1.00 0.00 H new ATOM 918 N GLY A 62 3.222 -9.197 7.944 1.00 0.00 N ATOM 919 CA GLY A 62 3.688 -8.244 8.931 1.00 0.00 C ATOM 920 C GLY A 62 3.743 -6.781 8.501 1.00 0.00 C ATOM 921 O GLY A 62 4.457 -6.020 9.151 1.00 0.00 O ATOM 0 H GLY A 62 2.411 -9.722 8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.042 -8.317 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.687 -8.543 9.247 1.00 0.00 H new ATOM 925 N VAL A 63 3.047 -6.390 7.431 1.00 0.00 N ATOM 926 CA VAL A 63 3.069 -5.066 6.817 1.00 0.00 C ATOM 927 C VAL A 63 2.548 -4.009 7.811 1.00 0.00 C ATOM 928 O VAL A 63 1.360 -3.695 7.856 1.00 0.00 O ATOM 929 CB VAL A 63 2.289 -5.175 5.486 1.00 0.00 C ATOM 930 CG1 VAL A 63 1.933 -3.856 4.809 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.088 -5.988 4.453 1.00 0.00 C ATOM 0 H VAL A 63 2.418 -7.028 6.944 1.00 0.00 H new ATOM 0 HA VAL A 63 4.075 -4.723 6.577 1.00 0.00 H new ATOM 0 HB VAL A 63 1.358 -5.655 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.389 -4.056 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.310 -3.261 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.846 -3.307 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.522 -6.053 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.042 -5.497 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.267 -6.991 4.839 1.00 0.00 H new ATOM 941 N GLU A 64 3.439 -3.428 8.614 1.00 0.00 N ATOM 942 CA GLU A 64 3.119 -2.443 9.648 1.00 0.00 C ATOM 943 C GLU A 64 3.207 -1.012 9.094 1.00 0.00 C ATOM 944 O GLU A 64 3.434 -0.045 9.826 1.00 0.00 O ATOM 945 CB GLU A 64 4.214 -2.637 10.719 1.00 0.00 C ATOM 946 CG GLU A 64 3.942 -3.844 11.641 1.00 0.00 C ATOM 947 CD GLU A 64 3.610 -3.510 13.100 1.00 0.00 C ATOM 948 OE1 GLU A 64 3.421 -2.327 13.469 1.00 0.00 O ATOM 949 OE2 GLU A 64 3.553 -4.446 13.933 1.00 0.00 O ATOM 0 H GLU A 64 4.436 -3.637 8.561 1.00 0.00 H new ATOM 0 HA GLU A 64 2.108 -2.579 10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.177 -2.771 10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.288 -1.733 11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.115 -4.417 11.222 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.818 -4.492 11.627 1.00 0.00 H new ATOM 956 N TYR A 65 2.824 -0.819 7.839 1.00 0.00 N ATOM 957 CA TYR A 65 3.015 0.404 7.088 1.00 0.00 C ATOM 958 C TYR A 65 2.473 0.163 5.682 1.00 0.00 C ATOM 959 O TYR A 65 2.290 -0.975 5.266 1.00 0.00 O ATOM 960 CB TYR A 65 4.499 0.723 6.913 1.00 0.00 C ATOM 961 CG TYR A 65 5.258 1.479 7.978 1.00 0.00 C ATOM 962 CD1 TYR A 65 4.882 2.780 8.357 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.467 0.952 8.438 1.00 0.00 C ATOM 964 CE1 TYR A 65 5.670 3.520 9.260 1.00 0.00 C ATOM 965 CE2 TYR A 65 7.271 1.682 9.325 1.00 0.00 C ATOM 966 CZ TYR A 65 6.872 2.965 9.752 1.00 0.00 C ATOM 967 OH TYR A 65 7.674 3.656 10.604 1.00 0.00 O ATOM 0 H TYR A 65 2.352 -1.544 7.298 1.00 0.00 H new ATOM 0 HA TYR A 65 2.519 1.217 7.618 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.015 -0.225 6.764 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.598 1.289 5.987 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.981 3.216 7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.785 -0.026 8.108 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.357 4.505 9.574 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.199 1.260 9.682 1.00 0.00 H new ATOM 0 HH TYR A 65 8.455 3.110 10.834 1.00 0.00 H new ATOM 977 N LEU A 66 2.289 1.212 4.894 1.00 0.00 N ATOM 978 CA LEU A 66 1.776 1.137 3.533 1.00 0.00 C ATOM 979 C LEU A 66 2.051 2.483 2.880 1.00 0.00 C ATOM 980 O LEU A 66 2.030 3.487 3.574 1.00 0.00 O ATOM 981 CB LEU A 66 0.275 0.804 3.628 1.00 0.00 C ATOM 982 CG LEU A 66 -0.605 1.211 2.434 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.305 0.498 1.105 1.00 0.00 C ATOM 984 CD2 LEU A 66 -2.072 0.926 2.768 1.00 0.00 C ATOM 0 H LEU A 66 2.498 2.165 5.191 1.00 0.00 H new ATOM 0 HA LEU A 66 2.249 0.365 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.175 -0.272 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.123 1.284 4.522 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.385 2.268 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.985 0.863 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.724 0.701 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.441 -0.576 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.700 1.213 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.199 -0.138 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.363 1.499 3.648 1.00 0.00 H new ATOM 996 N ILE A 67 2.247 2.536 1.568 1.00 0.00 N ATOM 997 CA ILE A 67 2.396 3.766 0.797 1.00 0.00 C ATOM 998 C ILE A 67 1.281 3.759 -0.239 1.00 0.00 C ATOM 999 O ILE A 67 1.358 2.988 -1.187 1.00 0.00 O ATOM 1000 CB ILE A 67 3.797 3.788 0.151 1.00 0.00 C ATOM 1001 CG1 ILE A 67 4.910 3.816 1.227 1.00 0.00 C ATOM 1002 CG2 ILE A 67 3.990 5.044 -0.715 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.286 3.392 0.716 1.00 0.00 C ATOM 0 H ILE A 67 2.309 1.697 0.992 1.00 0.00 H new ATOM 0 HA ILE A 67 2.317 4.663 1.412 1.00 0.00 H new ATOM 0 HB ILE A 67 3.867 2.885 -0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.981 4.825 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.622 3.160 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.986 5.032 -1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.242 5.058 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.879 5.934 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.008 3.440 1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.235 2.372 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.599 4.062 -0.085 1.00 0.00 H new ATOM 1015 N ALA A 68 0.212 4.532 -0.060 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.938 4.530 -0.952 1.00 0.00 C ATOM 1017 C ALA A 68 -1.542 5.924 -0.949 1.00 0.00 C ATOM 1018 O ALA A 68 -1.978 6.398 0.099 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.979 3.509 -0.479 1.00 0.00 C ATOM 0 H ALA A 68 0.122 5.184 0.719 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.626 4.254 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.833 3.520 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.535 2.514 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.311 3.767 0.527 1.00 0.00 H new ATOM 1025 N SER A 69 -1.608 6.561 -2.118 1.00 0.00 N ATOM 1026 CA SER A 69 -2.108 7.938 -2.231 1.00 0.00 C ATOM 1027 C SER A 69 -3.493 8.093 -1.620 1.00 0.00 C ATOM 1028 O SER A 69 -3.834 9.149 -1.086 1.00 0.00 O ATOM 1029 CB SER A 69 -2.180 8.406 -3.689 1.00 0.00 C ATOM 1030 OG SER A 69 -3.030 7.593 -4.458 1.00 0.00 O ATOM 0 H SER A 69 -1.321 6.147 -3.005 1.00 0.00 H new ATOM 0 HA SER A 69 -1.393 8.552 -1.683 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.534 9.436 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.180 8.399 -4.123 1.00 0.00 H new ATOM 0 HG SER A 69 -3.203 8.025 -5.321 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.317 7.053 -1.736 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.663 7.021 -1.247 1.00 0.00 C ATOM 1038 C ASN A 70 -6.029 5.548 -1.145 1.00 0.00 C ATOM 1039 O ASN A 70 -5.323 4.648 -1.622 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.601 7.776 -2.212 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.296 8.948 -1.510 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -8.518 8.981 -1.402 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -6.547 9.874 -0.930 1.00 0.00 N ATOM 0 H ASN A 70 -4.039 6.185 -2.193 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.761 7.512 -0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.029 8.146 -3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.350 7.089 -2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.985 10.620 -0.390 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.532 9.841 -1.023 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.164 5.267 -0.526 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.610 3.912 -0.315 1.00 0.00 C ATOM 1052 C VAL A 71 -8.595 3.620 -1.441 1.00 0.00 C ATOM 1053 O VAL A 71 -9.304 4.514 -1.899 1.00 0.00 O ATOM 1054 CB VAL A 71 -8.107 3.757 1.140 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.569 4.063 1.403 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -7.868 2.341 1.627 1.00 0.00 C ATOM 0 H VAL A 71 -7.798 5.977 -0.158 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.834 3.149 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.528 4.511 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.787 3.915 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.779 5.097 1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.193 3.397 0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.222 2.245 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.408 1.641 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.802 2.118 1.589 1.00 0.00 H new ATOM 1066 N GLY A 72 -8.639 2.371 -1.893 1.00 0.00 N ATOM 1067 CA GLY A 72 -9.583 1.913 -2.910 1.00 0.00 C ATOM 1068 C GLY A 72 -10.944 1.588 -2.278 1.00 0.00 C ATOM 1069 O GLY A 72 -11.599 0.635 -2.693 1.00 0.00 O ATOM 0 H GLY A 72 -8.013 1.638 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.705 2.682 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.187 1.028 -3.409 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.335 2.334 -1.232 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.410 2.013 -0.292 1.00 0.00 C ATOM 1075 C ARG A 73 -12.062 0.701 0.421 1.00 0.00 C ATOM 1076 O ARG A 73 -10.883 0.350 0.459 1.00 0.00 O ATOM 1077 CB ARG A 73 -13.753 2.012 -1.041 1.00 0.00 C ATOM 1078 CG ARG A 73 -14.955 2.442 -0.186 1.00 0.00 C ATOM 1079 CD ARG A 73 -16.288 1.930 -0.751 1.00 0.00 C ATOM 1080 NE ARG A 73 -16.679 2.599 -2.002 1.00 0.00 N ATOM 1081 CZ ARG A 73 -16.548 2.135 -3.252 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -15.851 1.033 -3.511 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -17.116 2.773 -4.264 1.00 0.00 N ATOM 0 H ARG A 73 -10.884 3.222 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.514 2.764 0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.677 2.678 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.938 1.011 -1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.827 2.069 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.983 3.530 -0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.213 0.857 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.071 2.076 -0.007 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.099 3.524 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.403 0.522 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.765 0.698 -4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.656 3.621 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.014 2.416 -5.214 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.065 0.046 1.021 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.048 -1.269 1.664 1.00 0.00 C ATOM 1099 C ASN A 74 -11.663 -1.664 2.165 1.00 0.00 C ATOM 1100 O ASN A 74 -11.046 -2.550 1.574 1.00 0.00 O ATOM 1101 CB ASN A 74 -13.650 -2.330 0.716 1.00 0.00 C ATOM 1102 CG ASN A 74 -13.845 -3.690 1.390 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -14.863 -3.913 2.043 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -12.920 -4.618 1.232 1.00 0.00 N ATOM 0 H ASN A 74 -13.994 0.465 1.072 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.672 -1.211 2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.611 -1.974 0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.997 -2.449 -0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.043 -5.538 1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.082 -4.415 0.687 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.157 -0.989 3.205 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.844 -1.254 3.787 1.00 0.00 C ATOM 1113 C ALA A 75 -9.458 -0.412 5.004 1.00 0.00 C ATOM 1114 O ALA A 75 -8.617 -0.869 5.770 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.763 -1.002 2.728 1.00 0.00 C ATOM 0 H ALA A 75 -11.660 -0.233 3.670 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.911 -2.288 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.780 -1.198 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.926 -1.663 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.813 0.035 2.396 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.942 0.821 5.177 1.00 0.00 N ATOM 1122 CA PHE A 76 -9.247 1.785 6.036 1.00 0.00 C ATOM 1123 C PHE A 76 -9.361 1.389 7.500 1.00 0.00 C ATOM 1124 O PHE A 76 -8.392 1.475 8.246 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.788 3.184 5.751 1.00 0.00 C ATOM 1126 CG PHE A 76 -9.422 4.297 6.718 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -8.158 4.919 6.666 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -10.390 4.773 7.623 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.886 6.037 7.477 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -10.117 5.888 8.432 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.871 6.531 8.352 1.00 0.00 C ATOM 0 H PHE A 76 -10.796 1.171 4.743 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.180 1.787 5.811 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.448 3.478 4.758 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.875 3.120 5.710 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.396 4.537 6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.347 4.278 7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.920 6.516 7.428 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.868 6.252 9.118 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.670 7.401 8.960 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.509 0.855 7.885 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.748 0.346 9.225 1.00 0.00 C ATOM 1143 C GLU A 77 -9.900 -0.908 9.457 1.00 0.00 C ATOM 1144 O GLU A 77 -9.429 -1.160 10.564 1.00 0.00 O ATOM 1145 CB GLU A 77 -12.247 0.057 9.413 1.00 0.00 C ATOM 1146 CG GLU A 77 -13.145 1.188 8.879 1.00 0.00 C ATOM 1147 CD GLU A 77 -13.590 0.941 7.444 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.350 -0.018 7.172 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -13.149 1.696 6.546 1.00 0.00 O ATOM 0 H GLU A 77 -11.313 0.762 7.265 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.456 1.093 9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.500 -0.873 8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.453 -0.094 10.473 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.023 1.285 9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.606 2.134 8.933 1.00 0.00 H new ATOM 1156 N THR A 78 -9.660 -1.693 8.407 1.00 0.00 N ATOM 1157 CA THR A 78 -8.914 -2.940 8.461 1.00 0.00 C ATOM 1158 C THR A 78 -7.406 -2.645 8.487 1.00 0.00 C ATOM 1159 O THR A 78 -6.618 -3.529 8.816 1.00 0.00 O ATOM 1160 CB THR A 78 -9.346 -3.850 7.279 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.641 -3.494 6.801 1.00 0.00 O ATOM 1162 CG2 THR A 78 -9.385 -5.311 7.732 1.00 0.00 C ATOM 0 H THR A 78 -9.991 -1.468 7.469 1.00 0.00 H new ATOM 0 HA THR A 78 -9.137 -3.484 9.379 1.00 0.00 H new ATOM 0 HB THR A 78 -8.619 -3.718 6.478 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.888 -4.081 6.056 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.689 -5.943 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.395 -5.613 8.074 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.099 -5.420 8.548 1.00 0.00 H new ATOM 1170 N LEU A 79 -7.005 -1.402 8.175 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.622 -0.942 8.202 1.00 0.00 C ATOM 1172 C LEU A 79 -5.218 -0.598 9.622 1.00 0.00 C ATOM 1173 O LEU A 79 -4.320 -1.208 10.187 1.00 0.00 O ATOM 1174 CB LEU A 79 -5.433 0.272 7.271 1.00 0.00 C ATOM 1175 CG LEU A 79 -5.347 -0.127 5.787 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -5.598 1.057 4.833 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.980 -0.782 5.556 1.00 0.00 C ATOM 0 H LEU A 79 -7.660 -0.674 7.890 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.979 -1.745 7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.264 0.964 7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.524 0.804 7.554 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.142 -0.836 5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.524 0.715 3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.594 1.463 5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.853 1.833 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.890 -1.076 4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.190 -0.073 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.887 -1.664 6.190 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.875 0.385 10.225 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.614 0.771 11.598 1.00 0.00 C ATOM 1191 C LYS A 80 -5.842 -0.376 12.573 1.00 0.00 C ATOM 1192 O LYS A 80 -5.067 -0.501 13.521 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.431 2.010 11.940 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.902 2.016 11.484 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.354 3.385 10.956 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.516 3.851 9.758 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.462 4.838 10.086 1.00 0.00 N ATOM 0 H LYS A 80 -6.604 0.935 9.771 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.558 1.022 11.698 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.409 2.144 13.022 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.935 2.876 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.039 1.267 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.538 1.726 12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.403 3.332 10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.283 4.122 11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.049 2.980 9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.182 4.286 9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.518 5.638 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.599 5.182 11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.528 4.388 10.007 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.823 -1.245 12.310 1.00 0.00 N ATOM 1212 CA ALA A 81 -7.025 -2.465 13.083 1.00 0.00 C ATOM 1213 C ALA A 81 -5.819 -3.413 13.050 1.00 0.00 C ATOM 1214 O ALA A 81 -5.756 -4.306 13.898 1.00 0.00 O ATOM 1215 CB ALA A 81 -8.276 -3.199 12.599 1.00 0.00 C ATOM 0 H ALA A 81 -7.497 -1.119 11.555 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.152 -2.153 14.120 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.414 -4.108 13.185 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.146 -2.554 12.720 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.161 -3.460 11.547 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.871 -3.247 12.120 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.619 -3.989 12.099 1.00 0.00 C ATOM 1223 C ALA A 82 -2.414 -3.041 12.182 1.00 0.00 C ATOM 1224 O ALA A 82 -1.350 -3.317 11.624 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.599 -4.785 10.795 1.00 0.00 C ATOM 0 H ALA A 82 -4.960 -2.582 11.352 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.551 -4.654 12.960 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.675 -5.360 10.734 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.451 -5.464 10.770 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.656 -4.100 9.949 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.560 -1.970 12.962 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.589 -0.911 13.190 1.00 0.00 C ATOM 1233 C GLY A 83 -0.839 -0.389 11.967 1.00 0.00 C ATOM 1234 O GLY A 83 0.312 0.038 12.111 1.00 0.00 O ATOM 0 H GLY A 83 -3.421 -1.813 13.485 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.105 -0.071 13.656 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.855 -1.273 13.910 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.447 -0.398 10.783 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.750 -0.122 9.536 1.00 0.00 C ATOM 1240 C VAL A 84 -0.616 1.381 9.341 1.00 0.00 C ATOM 1241 O VAL A 84 -1.624 2.059 9.118 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.467 -0.819 8.363 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.656 -0.723 7.063 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.712 -2.293 8.672 1.00 0.00 C ATOM 0 H VAL A 84 -2.440 -0.598 10.665 1.00 0.00 H new ATOM 0 HA VAL A 84 0.260 -0.530 9.574 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.418 -0.304 8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.195 -1.226 6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.511 0.325 6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.314 -1.200 7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.219 -2.762 7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.758 -2.792 8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.334 -2.379 9.563 1.00 0.00 H new ATOM 1254 N LYS A 85 0.614 1.916 9.397 1.00 0.00 N ATOM 1255 CA LYS A 85 0.810 3.344 9.169 1.00 0.00 C ATOM 1256 C LYS A 85 0.783 3.616 7.665 1.00 0.00 C ATOM 1257 O LYS A 85 1.725 3.302 6.941 1.00 0.00 O ATOM 1258 CB LYS A 85 2.091 3.895 9.827 1.00 0.00 C ATOM 1259 CG LYS A 85 1.770 4.785 11.030 1.00 0.00 C ATOM 1260 CD LYS A 85 3.021 5.518 11.539 1.00 0.00 C ATOM 1261 CE LYS A 85 2.703 6.165 12.898 1.00 0.00 C ATOM 1262 NZ LYS A 85 3.442 7.420 13.116 1.00 0.00 N ATOM 0 H LYS A 85 1.466 1.390 9.594 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.008 3.878 9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.722 3.066 10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.661 4.466 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.008 5.513 10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.352 4.177 11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.852 4.820 11.640 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.329 6.279 10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.633 6.363 12.960 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.944 5.463 13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.860 8.072 13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.327 7.218 13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.662 7.857 12.198 1.00 0.00 H new ATOM 1276 N VAL A 86 -0.332 4.141 7.179 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.555 4.402 5.766 1.00 0.00 C ATOM 1278 C VAL A 86 0.074 5.757 5.470 1.00 0.00 C ATOM 1279 O VAL A 86 -0.235 6.735 6.145 1.00 0.00 O ATOM 1280 CB VAL A 86 -2.067 4.366 5.496 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.405 4.597 4.017 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.628 3.011 5.966 1.00 0.00 C ATOM 0 H VAL A 86 -1.122 4.402 7.768 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.101 3.656 5.113 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.528 5.181 6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.486 4.562 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.032 5.573 3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.938 3.821 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.701 2.977 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.138 2.205 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.442 2.891 7.033 1.00 0.00 H new ATOM 1292 N TYR A 87 0.953 5.815 4.480 1.00 0.00 N ATOM 1293 CA TYR A 87 1.510 7.020 3.901 1.00 0.00 C ATOM 1294 C TYR A 87 0.735 7.393 2.650 1.00 0.00 C ATOM 1295 O TYR A 87 0.171 6.527 1.980 1.00 0.00 O ATOM 1296 CB TYR A 87 2.988 6.800 3.543 1.00 0.00 C ATOM 1297 CG TYR A 87 3.906 7.165 4.687 1.00 0.00 C ATOM 1298 CD1 TYR A 87 3.996 6.376 5.853 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.619 8.367 4.603 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.792 6.810 6.929 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.417 8.805 5.663 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.491 8.036 6.843 1.00 0.00 C ATOM 1303 OH TYR A 87 6.205 8.488 7.904 1.00 0.00 O ATOM 0 H TYR A 87 1.315 4.971 4.037 1.00 0.00 H new ATOM 0 HA TYR A 87 1.436 7.828 4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.144 5.756 3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.243 7.398 2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.456 5.443 5.919 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.551 8.964 3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.869 6.206 7.821 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.974 9.727 5.579 1.00 0.00 H new ATOM 0 HH TYR A 87 6.624 9.344 7.676 1.00 0.00 H new ATOM 1313 N ARG A 88 0.806 8.669 2.295 1.00 0.00 N ATOM 1314 CA ARG A 88 0.415 9.239 1.018 1.00 0.00 C ATOM 1315 C ARG A 88 1.552 8.923 0.058 1.00 0.00 C ATOM 1316 O ARG A 88 2.703 8.839 0.480 1.00 0.00 O ATOM 1317 CB ARG A 88 0.336 10.772 1.193 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.095 11.595 -0.036 1.00 0.00 C ATOM 1319 CD ARG A 88 -1.617 11.640 -0.157 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.040 12.528 -1.247 1.00 0.00 N ATOM 1321 CZ ARG A 88 -3.138 13.285 -1.288 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -4.020 13.272 -0.293 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -3.353 14.072 -2.329 1.00 0.00 N ATOM 0 H ARG A 88 1.162 9.378 2.936 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.539 8.852 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.360 10.985 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.316 11.127 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.297 12.609 0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.333 11.159 -0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.000 10.635 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.049 11.984 0.783 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.428 12.571 -2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.863 12.676 0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.853 13.858 -0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.681 14.098 -3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.191 14.653 -2.365 1.00 0.00 H new ATOM 1337 N PHE A 89 1.249 8.852 -1.226 1.00 0.00 N ATOM 1338 CA PHE A 89 2.172 9.131 -2.320 1.00 0.00 C ATOM 1339 C PHE A 89 1.363 9.960 -3.345 1.00 0.00 C ATOM 1340 O PHE A 89 0.145 10.066 -3.188 1.00 0.00 O ATOM 1341 CB PHE A 89 2.783 7.793 -2.798 1.00 0.00 C ATOM 1342 CG PHE A 89 2.459 7.417 -4.229 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.117 7.153 -4.555 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.439 7.351 -5.235 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.713 6.941 -5.881 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.035 7.098 -6.548 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.682 6.922 -6.890 1.00 0.00 C ATOM 0 H PHE A 89 0.319 8.589 -1.551 1.00 0.00 H new ATOM 0 HA PHE A 89 3.047 9.729 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.866 7.846 -2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.434 6.996 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.380 7.113 -3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.483 7.493 -4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.330 6.795 -6.120 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.784 7.036 -7.324 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.394 6.774 -7.920 1.00 0.00 H new ATOM 1357 N GLU A 90 1.987 10.566 -4.353 1.00 0.00 N ATOM 1358 CA GLU A 90 1.352 11.486 -5.299 1.00 0.00 C ATOM 1359 C GLU A 90 1.916 11.335 -6.734 1.00 0.00 C ATOM 1360 O GLU A 90 2.039 12.319 -7.468 1.00 0.00 O ATOM 1361 CB GLU A 90 1.541 12.925 -4.765 1.00 0.00 C ATOM 1362 CG GLU A 90 0.508 13.936 -5.311 1.00 0.00 C ATOM 1363 CD GLU A 90 -0.624 14.202 -4.312 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -1.219 13.223 -3.810 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -0.947 15.378 -4.012 1.00 0.00 O ATOM 0 H GLU A 90 2.980 10.427 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 90 0.291 11.250 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.479 12.909 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.543 13.269 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.010 14.874 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.087 13.556 -6.242 1.00 0.00 H new ATOM 1372 N GLY A 91 2.205 10.111 -7.190 1.00 0.00 N ATOM 1373 CA GLY A 91 2.542 9.814 -8.591 1.00 0.00 C ATOM 1374 C GLY A 91 4.041 9.572 -8.806 1.00 0.00 C ATOM 1375 O GLY A 91 4.840 10.495 -8.681 1.00 0.00 O ATOM 0 H GLY A 91 2.212 9.286 -6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.987 8.933 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.219 10.643 -9.221 1.00 0.00 H new ATOM 1379 N GLY A 92 4.419 8.334 -9.150 1.00 0.00 N ATOM 1380 CA GLY A 92 5.768 7.772 -9.046 1.00 0.00 C ATOM 1381 C GLY A 92 5.742 6.292 -9.437 1.00 0.00 C ATOM 1382 O GLY A 92 4.663 5.692 -9.496 1.00 0.00 O ATOM 0 H GLY A 92 3.753 7.662 -9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.451 8.318 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.141 7.883 -8.028 1.00 0.00 H new ATOM 1386 N THR A 93 6.901 5.690 -9.704 1.00 0.00 N ATOM 1387 CA THR A 93 7.027 4.237 -9.813 1.00 0.00 C ATOM 1388 C THR A 93 7.294 3.652 -8.432 1.00 0.00 C ATOM 1389 O THR A 93 7.493 4.411 -7.483 1.00 0.00 O ATOM 1390 CB THR A 93 8.084 3.862 -10.863 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.355 4.381 -10.544 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.626 4.320 -12.253 1.00 0.00 C ATOM 0 H THR A 93 7.776 6.194 -9.850 1.00 0.00 H new ATOM 0 HA THR A 93 6.095 3.799 -10.170 1.00 0.00 H new ATOM 0 HB THR A 93 8.185 2.777 -10.867 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.998 4.119 -11.235 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.381 4.051 -12.992 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.683 3.834 -12.504 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.488 5.401 -12.253 1.00 0.00 H new ATOM 1400 N VAL A 94 7.236 2.322 -8.283 1.00 0.00 N ATOM 1401 CA VAL A 94 7.420 1.642 -7.009 1.00 0.00 C ATOM 1402 C VAL A 94 8.591 2.252 -6.240 1.00 0.00 C ATOM 1403 O VAL A 94 8.416 2.570 -5.068 1.00 0.00 O ATOM 1404 CB VAL A 94 7.585 0.135 -7.232 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.621 -0.623 -5.902 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.545 -0.480 -8.180 1.00 0.00 C ATOM 0 H VAL A 94 7.057 1.686 -9.060 1.00 0.00 H new ATOM 0 HA VAL A 94 6.531 1.781 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 94 8.547 0.024 -7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.739 -1.689 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.459 -0.267 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.690 -0.453 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.733 -1.549 -8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.546 -0.325 -7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.617 -0.003 -9.158 1.00 0.00 H new ATOM 1416 N GLN A 95 9.744 2.473 -6.881 1.00 0.00 N ATOM 1417 CA GLN A 95 10.895 3.030 -6.189 1.00 0.00 C ATOM 1418 C GLN A 95 10.702 4.442 -5.636 1.00 0.00 C ATOM 1419 O GLN A 95 11.273 4.728 -4.591 1.00 0.00 O ATOM 1420 CB GLN A 95 12.158 2.936 -7.063 1.00 0.00 C ATOM 1421 CG GLN A 95 13.409 2.768 -6.185 1.00 0.00 C ATOM 1422 CD GLN A 95 14.623 2.160 -6.893 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.590 1.784 -8.065 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.709 1.985 -6.163 1.00 0.00 N ATOM 0 H GLN A 95 9.897 2.274 -7.870 1.00 0.00 H new ATOM 0 HA GLN A 95 11.021 2.407 -5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.071 2.093 -7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.253 3.834 -7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.690 3.744 -5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.153 2.140 -5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.728 2.300 -5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.529 1.535 -6.569 1.00 0.00 H new ATOM 1433 N GLU A 96 9.884 5.299 -6.243 1.00 0.00 N ATOM 1434 CA GLU A 96 9.608 6.645 -5.771 1.00 0.00 C ATOM 1435 C GLU A 96 8.795 6.593 -4.498 1.00 0.00 C ATOM 1436 O GLU A 96 9.044 7.389 -3.605 1.00 0.00 O ATOM 1437 CB GLU A 96 8.753 7.410 -6.777 1.00 0.00 C ATOM 1438 CG GLU A 96 9.466 7.950 -8.014 1.00 0.00 C ATOM 1439 CD GLU A 96 10.716 8.804 -7.728 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.782 9.503 -6.689 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.635 8.803 -8.581 1.00 0.00 O ATOM 0 H GLU A 96 9.383 5.065 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 96 10.571 7.132 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.948 6.754 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.288 8.249 -6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.756 7.109 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.760 8.549 -8.589 1.00 0.00 H new ATOM 1448 N ALA A 97 7.808 5.698 -4.391 1.00 0.00 N ATOM 1449 CA ALA A 97 7.072 5.517 -3.148 1.00 0.00 C ATOM 1450 C ALA A 97 8.014 5.293 -1.952 1.00 0.00 C ATOM 1451 O ALA A 97 7.685 5.655 -0.828 1.00 0.00 O ATOM 1452 CB ALA A 97 6.071 4.375 -3.358 1.00 0.00 C ATOM 0 H ALA A 97 7.505 5.091 -5.152 1.00 0.00 H new ATOM 0 HA ALA A 97 6.522 6.424 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.503 4.216 -2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.388 4.634 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.609 3.462 -3.615 1.00 0.00 H new ATOM 1458 N ILE A 98 9.196 4.732 -2.185 1.00 0.00 N ATOM 1459 CA ILE A 98 10.187 4.384 -1.173 1.00 0.00 C ATOM 1460 C ILE A 98 11.121 5.543 -1.047 1.00 0.00 C ATOM 1461 O ILE A 98 11.264 6.041 0.054 1.00 0.00 O ATOM 1462 CB ILE A 98 11.014 3.146 -1.572 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.168 2.144 -2.328 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.715 2.528 -0.350 1.00 0.00 C ATOM 1465 CD1 ILE A 98 8.932 1.669 -1.564 1.00 0.00 C ATOM 0 H ILE A 98 9.503 4.497 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 98 9.669 4.157 -0.241 1.00 0.00 H new ATOM 0 HB ILE A 98 11.802 3.467 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.850 2.590 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.783 1.279 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.291 1.657 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.384 3.264 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.968 2.225 0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.380 0.954 -2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.240 1.191 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.293 2.523 -1.339 1.00 0.00 H new ATOM 1477 N ASP A 99 11.753 5.955 -2.143 1.00 0.00 N ATOM 1478 CA ASP A 99 12.730 7.025 -2.162 1.00 0.00 C ATOM 1479 C ASP A 99 12.120 8.251 -1.512 1.00 0.00 C ATOM 1480 O ASP A 99 12.760 8.880 -0.669 1.00 0.00 O ATOM 1481 CB ASP A 99 13.192 7.327 -3.596 1.00 0.00 C ATOM 1482 CG ASP A 99 14.495 6.627 -3.976 1.00 0.00 C ATOM 1483 OD1 ASP A 99 14.961 5.723 -3.242 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.047 6.984 -5.039 1.00 0.00 O ATOM 0 H ASP A 99 11.592 5.540 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 99 13.614 6.721 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.410 7.025 -4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.321 8.403 -3.709 1.00 0.00 H new ATOM 1489 N ALA A 100 10.849 8.513 -1.816 1.00 0.00 N ATOM 1490 CA ALA A 100 10.178 9.700 -1.306 1.00 0.00 C ATOM 1491 C ALA A 100 10.007 9.582 0.214 1.00 0.00 C ATOM 1492 O ALA A 100 10.422 10.470 0.951 1.00 0.00 O ATOM 1493 CB ALA A 100 8.863 9.901 -2.059 1.00 0.00 C ATOM 0 H ALA A 100 10.269 7.920 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 100 10.778 10.593 -1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.358 10.789 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.068 10.027 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.224 9.030 -1.913 1.00 0.00 H new ATOM 1499 N PHE A 101 9.464 8.458 0.689 1.00 0.00 N ATOM 1500 CA PHE A 101 9.351 8.095 2.107 1.00 0.00 C ATOM 1501 C PHE A 101 10.712 8.166 2.816 1.00 0.00 C ATOM 1502 O PHE A 101 10.828 8.673 3.932 1.00 0.00 O ATOM 1503 CB PHE A 101 8.707 6.690 2.178 1.00 0.00 C ATOM 1504 CG PHE A 101 9.045 5.791 3.353 1.00 0.00 C ATOM 1505 CD1 PHE A 101 10.227 5.026 3.327 1.00 0.00 C ATOM 1506 CD2 PHE A 101 8.136 5.620 4.416 1.00 0.00 C ATOM 1507 CE1 PHE A 101 10.565 4.210 4.420 1.00 0.00 C ATOM 1508 CE2 PHE A 101 8.459 4.779 5.495 1.00 0.00 C ATOM 1509 CZ PHE A 101 9.685 4.095 5.511 1.00 0.00 C ATOM 0 H PHE A 101 9.075 7.746 0.072 1.00 0.00 H new ATOM 0 HA PHE A 101 8.718 8.806 2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.625 6.821 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.976 6.157 1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 101 10.876 5.067 2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 101 7.188 6.137 4.402 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.501 3.671 4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.763 4.659 6.312 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.952 3.482 6.359 1.00 0.00 H new ATOM 1519 N SER A 102 11.745 7.655 2.155 1.00 0.00 N ATOM 1520 CA SER A 102 13.083 7.451 2.681 1.00 0.00 C ATOM 1521 C SER A 102 13.757 8.790 2.957 1.00 0.00 C ATOM 1522 O SER A 102 14.469 8.919 3.959 1.00 0.00 O ATOM 1523 CB SER A 102 13.884 6.551 1.722 1.00 0.00 C ATOM 1524 OG SER A 102 14.484 7.220 0.627 1.00 0.00 O ATOM 0 H SER A 102 11.663 7.356 1.183 1.00 0.00 H new ATOM 0 HA SER A 102 13.034 6.933 3.639 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.665 6.046 2.291 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.220 5.778 1.335 1.00 0.00 H new ATOM 0 HG SER A 102 13.837 7.837 0.226 1.00 0.00 H new ATOM 1530 N GLU A 103 13.486 9.788 2.111 1.00 0.00 N ATOM 1531 CA GLU A 103 13.972 11.148 2.275 1.00 0.00 C ATOM 1532 C GLU A 103 12.822 12.024 2.765 1.00 0.00 C ATOM 1533 O GLU A 103 12.766 13.218 2.467 1.00 0.00 O ATOM 1534 CB GLU A 103 14.494 11.639 0.910 1.00 0.00 C ATOM 1535 CG GLU A 103 15.482 10.695 0.194 1.00 0.00 C ATOM 1536 CD GLU A 103 16.673 11.503 -0.327 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.600 11.799 0.460 1.00 0.00 O ATOM 1538 OE2 GLU A 103 16.629 11.960 -1.495 1.00 0.00 O ATOM 0 H GLU A 103 12.910 9.664 1.278 1.00 0.00 H new ATOM 0 HA GLU A 103 14.780 11.195 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.640 11.807 0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.981 12.604 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.826 9.922 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.983 10.188 -0.632 1.00 0.00 H new ATOM 1545 N GLY A 104 11.973 11.457 3.622 1.00 0.00 N ATOM 1546 CA GLY A 104 10.907 12.113 4.349 1.00 0.00 C ATOM 1547 C GLY A 104 10.011 13.039 3.530 1.00 0.00 C ATOM 1548 O GLY A 104 9.351 13.896 4.107 1.00 0.00 O ATOM 0 H GLY A 104 12.022 10.461 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.282 11.347 4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.349 12.691 5.160 1.00 0.00 H new ATOM 1552 N ARG A 105 9.950 12.894 2.204 1.00 0.00 N ATOM 1553 CA ARG A 105 9.070 13.652 1.324 1.00 0.00 C ATOM 1554 C ARG A 105 7.774 12.887 1.090 1.00 0.00 C ATOM 1555 O ARG A 105 7.266 12.903 -0.033 1.00 0.00 O ATOM 1556 CB ARG A 105 9.759 13.888 -0.030 1.00 0.00 C ATOM 1557 CG ARG A 105 10.911 14.886 -0.001 1.00 0.00 C ATOM 1558 CD ARG A 105 11.209 15.317 -1.438 1.00 0.00 C ATOM 1559 NE ARG A 105 12.164 16.425 -1.465 1.00 0.00 N ATOM 1560 CZ ARG A 105 13.494 16.316 -1.455 1.00 0.00 C ATOM 1561 NH1 ARG A 105 14.094 15.132 -1.582 1.00 0.00 N ATOM 1562 NH2 ARG A 105 14.210 17.420 -1.311 1.00 0.00 N ATOM 0 H ARG A 105 10.532 12.224 1.702 1.00 0.00 H new ATOM 0 HA ARG A 105 8.849 14.608 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.134 12.934 -0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.013 14.237 -0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.649 15.751 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.794 14.434 0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 105 11.610 14.473 -1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.284 15.617 -1.931 1.00 0.00 H new ATOM 0 HE ARG A 105 11.777 17.368 -1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.535 14.286 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 105 15.112 15.073 -1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.743 18.321 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 105 15.229 17.369 -1.299 1.00 0.00 H new ATOM 1576 N LEU A 106 7.218 12.219 2.097 1.00 0.00 N ATOM 1577 CA LEU A 106 5.859 11.731 2.044 1.00 0.00 C ATOM 1578 C LEU A 106 5.209 11.931 3.399 1.00 0.00 C ATOM 1579 O LEU A 106 5.876 12.182 4.409 1.00 0.00 O ATOM 1580 CB LEU A 106 5.779 10.245 1.700 1.00 0.00 C ATOM 1581 CG LEU A 106 6.206 9.840 0.288 1.00 0.00 C ATOM 1582 CD1 LEU A 106 6.001 8.332 0.096 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.374 10.506 -0.814 1.00 0.00 C ATOM 0 H LEU A 106 7.703 12.005 2.968 1.00 0.00 H new ATOM 0 HA LEU A 106 5.348 12.290 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.397 9.698 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.751 9.916 1.852 1.00 0.00 H new ATOM 0 HG LEU A 106 7.248 10.149 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.307 8.049 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.602 7.787 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.949 8.087 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.730 10.175 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.326 10.229 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.473 11.589 -0.740 1.00 0.00 H new ATOM 1595 N GLU A 107 3.898 11.722 3.421 1.00 0.00 N ATOM 1596 CA GLU A 107 3.036 12.184 4.482 1.00 0.00 C ATOM 1597 C GLU A 107 2.339 11.001 5.081 1.00 0.00 C ATOM 1598 O GLU A 107 1.927 10.099 4.357 1.00 0.00 O ATOM 1599 CB GLU A 107 1.998 13.169 3.934 1.00 0.00 C ATOM 1600 CG GLU A 107 2.695 14.412 3.382 1.00 0.00 C ATOM 1601 CD GLU A 107 3.184 15.292 4.540 1.00 0.00 C ATOM 1602 OE1 GLU A 107 4.235 14.976 5.141 1.00 0.00 O ATOM 1603 OE2 GLU A 107 2.481 16.258 4.911 1.00 0.00 O ATOM 0 H GLU A 107 3.404 11.217 2.685 1.00 0.00 H new ATOM 0 HA GLU A 107 3.632 12.694 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.412 12.692 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.302 13.453 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.537 14.119 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.008 14.975 2.750 1.00 0.00 H new ATOM 1610 N GLU A 108 2.150 11.037 6.388 1.00 0.00 N ATOM 1611 CA GLU A 108 1.445 9.993 7.088 1.00 0.00 C ATOM 1612 C GLU A 108 -0.042 10.233 6.883 1.00 0.00 C ATOM 1613 O GLU A 108 -0.659 11.095 7.512 1.00 0.00 O ATOM 1614 CB GLU A 108 1.882 10.013 8.543 1.00 0.00 C ATOM 1615 CG GLU A 108 1.652 8.652 9.193 1.00 0.00 C ATOM 1616 CD GLU A 108 1.971 8.747 10.679 1.00 0.00 C ATOM 1617 OE1 GLU A 108 3.033 9.311 11.046 1.00 0.00 O ATOM 1618 OE2 GLU A 108 1.195 8.198 11.480 1.00 0.00 O ATOM 0 H GLU A 108 2.483 11.792 6.988 1.00 0.00 H new ATOM 0 HA GLU A 108 1.670 8.995 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.937 10.279 8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.327 10.779 9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.618 8.337 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.283 7.899 8.721 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.625 9.477 5.962 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.046 9.448 5.687 1.00 0.00 C ATOM 1627 C LEU A 109 -2.730 8.568 6.745 1.00 0.00 C ATOM 1628 O LEU A 109 -3.526 7.673 6.449 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.273 9.030 4.227 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.680 9.426 3.746 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.804 10.926 3.456 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.054 8.670 2.479 1.00 0.00 C ATOM 0 H LEU A 109 -0.094 8.843 5.364 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.509 10.431 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.523 9.500 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.143 7.952 4.130 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.356 9.168 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.817 11.149 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.590 11.491 4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.094 11.206 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.053 8.967 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.337 8.902 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.041 7.598 2.677 1.00 0.00 H new ATOM 1644 N THR A 110 -2.447 8.844 8.023 1.00 0.00 N ATOM 1645 CA THR A 110 -3.098 8.227 9.176 1.00 0.00 C ATOM 1646 C THR A 110 -4.469 8.893 9.436 1.00 0.00 C ATOM 1647 O THR A 110 -4.918 9.065 10.573 1.00 0.00 O ATOM 1648 CB THR A 110 -2.126 8.018 10.341 1.00 0.00 C ATOM 1649 OG1 THR A 110 -2.705 7.214 11.345 1.00 0.00 O ATOM 1650 CG2 THR A 110 -1.764 9.380 10.830 1.00 0.00 C ATOM 0 H THR A 110 -1.735 9.525 8.288 1.00 0.00 H new ATOM 0 HA THR A 110 -3.377 7.193 8.975 1.00 0.00 H new ATOM 0 HB THR A 110 -1.229 7.482 10.029 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.629 7.501 11.502 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.069 9.294 11.665 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.294 9.943 10.024 1.00 0.00 H new ATOM 0 HG23 THR A 110 -2.664 9.900 11.159 1.00 0.00 H new ATOM 1658 N THR A 111 -5.188 9.222 8.356 1.00 0.00 N ATOM 1659 CA THR A 111 -6.450 9.935 8.347 1.00 0.00 C ATOM 1660 C THR A 111 -6.880 10.118 6.892 1.00 0.00 C ATOM 1661 O THR A 111 -6.114 10.599 6.053 1.00 0.00 O ATOM 1662 CB THR A 111 -6.331 11.279 9.098 1.00 0.00 C ATOM 1663 OG1 THR A 111 -7.613 11.850 9.229 1.00 0.00 O ATOM 1664 CG2 THR A 111 -5.355 12.288 8.478 1.00 0.00 C ATOM 0 H THR A 111 -4.878 8.979 7.415 1.00 0.00 H new ATOM 0 HA THR A 111 -7.214 9.364 8.874 1.00 0.00 H new ATOM 0 HB THR A 111 -5.903 11.044 10.072 1.00 0.00 H new ATOM 0 HG1 THR A 111 -7.544 12.703 9.707 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.343 13.198 9.078 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.354 11.857 8.452 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.674 12.526 7.463 1.00 0.00 H new ATOM 1672 N PHE A 112 -8.111 9.725 6.588 1.00 0.00 N ATOM 1673 CA PHE A 112 -8.844 10.149 5.413 1.00 0.00 C ATOM 1674 C PHE A 112 -9.884 11.157 5.882 1.00 0.00 C ATOM 1675 O PHE A 112 -10.675 10.883 6.788 1.00 0.00 O ATOM 1676 CB PHE A 112 -9.521 8.950 4.739 1.00 0.00 C ATOM 1677 CG PHE A 112 -8.576 8.163 3.861 1.00 0.00 C ATOM 1678 CD1 PHE A 112 -7.495 7.466 4.429 1.00 0.00 C ATOM 1679 CD2 PHE A 112 -8.728 8.188 2.466 1.00 0.00 C ATOM 1680 CE1 PHE A 112 -6.578 6.784 3.621 1.00 0.00 C ATOM 1681 CE2 PHE A 112 -7.798 7.525 1.656 1.00 0.00 C ATOM 1682 CZ PHE A 112 -6.723 6.823 2.230 1.00 0.00 C ATOM 0 H PHE A 112 -8.640 9.081 7.176 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.175 10.596 4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -9.931 8.292 5.505 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -10.360 9.302 4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.371 7.457 5.502 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -9.558 8.716 2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.765 6.232 4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -7.907 7.553 0.582 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.010 6.315 1.598 1.00 0.00 H new ATOM 1692 N THR A 113 -9.908 12.322 5.250 1.00 0.00 N ATOM 1693 CA THR A 113 -10.911 13.365 5.428 1.00 0.00 C ATOM 1694 C THR A 113 -12.185 13.039 4.623 1.00 0.00 C ATOM 1695 O THR A 113 -12.607 13.791 3.738 1.00 0.00 O ATOM 1696 CB THR A 113 -10.303 14.707 5.036 1.00 0.00 C ATOM 1697 OG1 THR A 113 -8.932 14.832 5.363 1.00 0.00 O ATOM 1698 CG2 THR A 113 -11.038 15.851 5.711 1.00 0.00 C ATOM 0 H THR A 113 -9.195 12.579 4.567 1.00 0.00 H new ATOM 0 HA THR A 113 -11.213 13.419 6.474 1.00 0.00 H new ATOM 0 HB THR A 113 -10.403 14.752 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.608 15.713 5.083 1.00 0.00 H new ATOM 0 HG21 THR A 113 -10.586 16.798 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 113 -12.085 15.839 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.971 15.738 6.793 1.00 0.00 H new ATOM 1706 N ARG A 114 -12.661 11.803 4.731 1.00 0.00 N ATOM 1707 CA ARG A 114 -13.905 11.342 4.127 1.00 0.00 C ATOM 1708 C ARG A 114 -14.921 11.230 5.254 1.00 0.00 C ATOM 1709 O ARG A 114 -14.947 10.223 5.951 1.00 0.00 O ATOM 1710 CB ARG A 114 -13.640 10.039 3.351 1.00 0.00 C ATOM 1711 CG ARG A 114 -14.868 9.163 3.005 1.00 0.00 C ATOM 1712 CD ARG A 114 -16.013 9.851 2.250 1.00 0.00 C ATOM 1713 NE ARG A 114 -15.913 9.676 0.788 1.00 0.00 N ATOM 1714 CZ ARG A 114 -16.284 10.543 -0.165 1.00 0.00 C ATOM 1715 NH1 ARG A 114 -16.628 11.784 0.146 1.00 0.00 N ATOM 1716 NH2 ARG A 114 -16.275 10.185 -1.445 1.00 0.00 N ATOM 0 H ARG A 114 -12.178 11.074 5.256 1.00 0.00 H new ATOM 0 HA ARG A 114 -14.312 12.029 3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -13.135 10.296 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -12.946 9.433 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -14.526 8.318 2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -15.268 8.756 3.934 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -16.965 9.449 2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -16.012 10.915 2.486 1.00 0.00 H new ATOM 0 HE ARG A 114 -15.516 8.794 0.465 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -16.612 12.089 1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -16.908 12.435 -0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.984 9.244 -1.709 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -16.559 10.852 -2.163 1.00 0.00 H new ATOM 1730 N GLU A 115 -15.722 12.269 5.456 1.00 0.00 N ATOM 1731 CA GLU A 115 -16.730 12.332 6.506 1.00 0.00 C ATOM 1732 C GLU A 115 -18.034 11.621 6.103 1.00 0.00 C ATOM 1733 O GLU A 115 -19.128 12.148 6.333 1.00 0.00 O ATOM 1734 CB GLU A 115 -16.937 13.809 6.879 1.00 0.00 C ATOM 1735 CG GLU A 115 -17.430 13.976 8.321 1.00 0.00 C ATOM 1736 CD GLU A 115 -16.279 13.741 9.294 1.00 0.00 C ATOM 1737 OE1 GLU A 115 -15.553 14.711 9.620 1.00 0.00 O ATOM 1738 OE2 GLU A 115 -16.018 12.574 9.659 1.00 0.00 O ATOM 0 H GLU A 115 -15.688 13.111 4.881 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.385 11.790 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.999 14.349 6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.658 14.257 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.838 14.977 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.237 13.272 8.522 1.00 0.00 H new ATOM 1745 N GLY A 116 -17.919 10.422 5.523 1.00 0.00 N ATOM 1746 CA GLY A 116 -19.038 9.600 5.073 1.00 0.00 C ATOM 1747 C GLY A 116 -19.542 10.059 3.726 1.00 0.00 C ATOM 1748 O GLY A 116 -19.966 11.227 3.622 1.00 0.00 O ATOM 0 H GLY A 116 -17.013 9.986 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -18.726 8.557 5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -19.846 9.649 5.803 1.00 0.00 H new TER 1752 GLY A 116