USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 35:sc= 0.546 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.989 K(o=-0.99,f=-8.3!) USER MOD Single : A 11 CYS SG : rot 32:sc= 0.21 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -0.219 (180deg=-0.807) USER MOD Single : A 18 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.5) USER MOD Single : A 19 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 49:sc= 1.29 USER MOD Single : A 43 MET CE :methyl 150:sc= -0.199 (180deg=-1.26) USER MOD Single : A 44 LYS NZ :NH3+ -143:sc= -1.25 (180deg=-2.82!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.0343 K(o=0.034,f=-3.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.728 K(o=-0.73,f=-2.6!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.282 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -2.03 X(o=-2,f=-2.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 144:sc= -0.578 (180deg=-2.05!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 30:sc= 0.366 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.284 -13.802 -14.961 1.00 0.00 N ATOM 2 CA GLY A 1 -14.852 -14.208 -13.636 1.00 0.00 C ATOM 3 C GLY A 1 -15.930 -14.010 -12.589 1.00 0.00 C ATOM 4 O GLY A 1 -17.101 -14.303 -12.831 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.512 -13.957 -15.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.112 -14.364 -15.244 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.538 -12.794 -14.950 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.560 -15.258 -13.658 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.967 -13.637 -13.355 1.00 0.00 H new ATOM 8 N SER A 2 -15.535 -13.514 -11.421 1.00 0.00 N ATOM 9 CA SER A 2 -16.476 -13.283 -10.331 1.00 0.00 C ATOM 10 C SER A 2 -17.415 -12.127 -10.660 1.00 0.00 C ATOM 11 O SER A 2 -17.113 -11.290 -11.510 1.00 0.00 O ATOM 12 CB SER A 2 -15.722 -12.989 -9.032 1.00 0.00 C ATOM 13 OG SER A 2 -15.171 -11.684 -9.047 1.00 0.00 O ATOM 0 H SER A 2 -14.570 -13.264 -11.205 1.00 0.00 H new ATOM 0 HA SER A 2 -17.072 -14.186 -10.201 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.399 -13.092 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.926 -13.722 -8.896 1.00 0.00 H new ATOM 0 HG SER A 2 -14.696 -11.520 -8.206 1.00 0.00 H new ATOM 19 N SER A 3 -18.557 -12.088 -9.980 1.00 0.00 N ATOM 20 CA SER A 3 -19.544 -11.038 -10.201 1.00 0.00 C ATOM 21 C SER A 3 -19.676 -10.148 -8.969 1.00 0.00 C ATOM 22 O SER A 3 -20.247 -10.552 -7.957 1.00 0.00 O ATOM 23 CB SER A 3 -20.901 -11.650 -10.551 1.00 0.00 C ATOM 24 OG SER A 3 -21.336 -12.539 -9.537 1.00 0.00 O ATOM 0 H SER A 3 -18.821 -12.772 -9.271 1.00 0.00 H new ATOM 0 HA SER A 3 -19.205 -10.424 -11.036 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.637 -10.857 -10.685 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.830 -12.182 -11.500 1.00 0.00 H new ATOM 0 HG SER A 3 -21.043 -12.207 -8.663 1.00 0.00 H new ATOM 30 N GLY A 4 -19.143 -8.934 -9.064 1.00 0.00 N ATOM 31 CA GLY A 4 -19.212 -8.005 -7.950 1.00 0.00 C ATOM 32 C GLY A 4 -18.999 -6.567 -8.381 1.00 0.00 C ATOM 33 O GLY A 4 -18.026 -6.255 -9.067 1.00 0.00 O ATOM 0 H GLY A 4 -18.665 -8.577 -9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.184 -8.096 -7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.459 -8.274 -7.209 1.00 0.00 H new ATOM 37 N SER A 5 -19.912 -5.689 -7.979 1.00 0.00 N ATOM 38 CA SER A 5 -19.822 -4.277 -8.332 1.00 0.00 C ATOM 39 C SER A 5 -18.382 -3.783 -8.233 1.00 0.00 C ATOM 40 O SER A 5 -17.830 -3.660 -7.140 1.00 0.00 O ATOM 41 CB SER A 5 -20.723 -3.443 -7.419 1.00 0.00 C ATOM 42 OG SER A 5 -22.092 -3.706 -7.675 1.00 0.00 O ATOM 0 H SER A 5 -20.722 -5.930 -7.409 1.00 0.00 H new ATOM 0 HA SER A 5 -20.157 -4.164 -9.363 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.495 -3.666 -6.377 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.518 -2.383 -7.571 1.00 0.00 H new ATOM 0 HG SER A 5 -22.647 -3.162 -7.078 1.00 0.00 H new ATOM 48 N SER A 6 -17.780 -3.501 -9.384 1.00 0.00 N ATOM 49 CA SER A 6 -16.403 -3.023 -9.429 1.00 0.00 C ATOM 50 C SER A 6 -16.299 -1.610 -8.863 1.00 0.00 C ATOM 51 O SER A 6 -16.729 -0.644 -9.493 1.00 0.00 O ATOM 52 CB SER A 6 -15.879 -3.049 -10.866 1.00 0.00 C ATOM 53 OG SER A 6 -14.600 -2.445 -10.953 1.00 0.00 O ATOM 0 H SER A 6 -18.224 -3.595 -10.297 1.00 0.00 H new ATOM 0 HA SER A 6 -15.794 -3.687 -8.815 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.823 -4.079 -11.217 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.577 -2.527 -11.520 1.00 0.00 H new ATOM 0 HG SER A 6 -14.286 -2.476 -11.881 1.00 0.00 H new ATOM 59 N GLY A 7 -15.724 -1.498 -7.670 1.00 0.00 N ATOM 60 CA GLY A 7 -15.574 -0.200 -7.038 1.00 0.00 C ATOM 61 C GLY A 7 -14.767 0.766 -7.883 1.00 0.00 C ATOM 62 O GLY A 7 -14.547 0.529 -9.070 1.00 0.00 O ATOM 0 H GLY A 7 -15.359 -2.283 -7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.560 0.224 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.089 -0.324 -6.070 1.00 0.00 H new ATOM 66 N VAL A 8 -14.327 1.860 -7.270 1.00 0.00 N ATOM 67 CA VAL A 8 -13.541 2.867 -7.974 1.00 0.00 C ATOM 68 C VAL A 8 -12.104 2.895 -7.466 1.00 0.00 C ATOM 69 O VAL A 8 -11.861 3.065 -6.272 1.00 0.00 O ATOM 70 CB VAL A 8 -14.157 4.270 -7.818 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.070 4.734 -6.372 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.469 5.259 -8.746 1.00 0.00 C ATOM 0 H VAL A 8 -14.501 2.072 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.545 2.592 -9.029 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.210 4.219 -8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.510 5.727 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.612 4.037 -5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.025 4.771 -6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.917 6.245 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.408 5.309 -8.502 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.589 4.933 -9.779 1.00 0.00 H new ATOM 82 N GLN A 9 -11.155 2.728 -8.382 1.00 0.00 N ATOM 83 CA GLN A 9 -9.741 2.734 -8.026 1.00 0.00 C ATOM 84 C GLN A 9 -8.984 3.790 -8.825 1.00 0.00 C ATOM 85 O GLN A 9 -9.269 4.016 -10.001 1.00 0.00 O ATOM 86 CB GLN A 9 -9.126 1.355 -8.270 1.00 0.00 C ATOM 87 CG GLN A 9 -9.403 0.802 -9.658 1.00 0.00 C ATOM 88 CD GLN A 9 -9.024 -0.660 -9.791 1.00 0.00 C ATOM 89 OE1 GLN A 9 -7.957 -1.079 -9.340 1.00 0.00 O ATOM 90 NE2 GLN A 9 -9.897 -1.445 -10.411 1.00 0.00 N ATOM 0 H GLN A 9 -11.340 2.587 -9.375 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.660 2.978 -6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.048 1.416 -8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.512 0.658 -7.527 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.462 0.921 -9.888 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.850 1.385 -10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.769 -1.055 -10.769 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.696 -2.438 -10.529 1.00 0.00 H new ATOM 99 N ARG A 10 -8.018 4.434 -8.178 1.00 0.00 N ATOM 100 CA ARG A 10 -7.220 5.467 -8.828 1.00 0.00 C ATOM 101 C ARG A 10 -5.745 5.080 -8.852 1.00 0.00 C ATOM 102 O ARG A 10 -5.305 4.221 -8.087 1.00 0.00 O ATOM 103 CB ARG A 10 -7.396 6.805 -8.107 1.00 0.00 C ATOM 104 CG ARG A 10 -8.640 7.567 -8.532 1.00 0.00 C ATOM 105 CD ARG A 10 -8.906 8.754 -7.619 1.00 0.00 C ATOM 106 NE ARG A 10 -7.848 9.757 -7.703 1.00 0.00 N ATOM 107 CZ ARG A 10 -7.661 10.541 -8.760 1.00 0.00 C ATOM 108 NH1 ARG A 10 -8.458 10.438 -9.814 1.00 0.00 N ATOM 109 NH2 ARG A 10 -6.676 11.430 -8.762 1.00 0.00 N ATOM 0 H ARG A 10 -7.769 4.259 -7.204 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.568 5.567 -9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.439 6.626 -7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.519 7.426 -8.292 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.522 7.915 -9.558 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.500 6.897 -8.520 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.860 9.210 -7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.995 8.407 -6.590 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.218 9.862 -6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.217 9.756 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.313 11.041 -10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.062 11.512 -7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.533 12.031 -9.574 1.00 0.00 H new ATOM 123 N CYS A 11 -4.986 5.720 -9.735 1.00 0.00 N ATOM 124 CA CYS A 11 -3.559 5.441 -9.861 1.00 0.00 C ATOM 125 C CYS A 11 -2.730 6.564 -9.244 1.00 0.00 C ATOM 126 O CYS A 11 -2.864 7.728 -9.621 1.00 0.00 O ATOM 127 CB CYS A 11 -3.181 5.260 -11.331 1.00 0.00 C ATOM 128 SG CYS A 11 -3.512 6.708 -12.363 1.00 0.00 S ATOM 0 H CYS A 11 -5.334 6.435 -10.374 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.345 4.517 -9.323 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.120 5.017 -11.395 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.728 4.408 -11.733 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.364 7.788 -11.655 1.00 0.00 H new ATOM 134 N VAL A 12 -1.874 6.206 -8.293 1.00 0.00 N ATOM 135 CA VAL A 12 -1.023 7.182 -7.624 1.00 0.00 C ATOM 136 C VAL A 12 0.451 6.829 -7.784 1.00 0.00 C ATOM 137 O VAL A 12 0.856 5.690 -7.546 1.00 0.00 O ATOM 138 CB VAL A 12 -1.355 7.281 -6.123 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.087 5.955 -5.428 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.559 8.404 -5.474 1.00 0.00 C ATOM 0 H VAL A 12 -1.751 5.247 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.216 8.145 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.415 7.511 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.327 6.044 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.706 5.178 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.035 5.691 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.806 8.460 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.507 8.208 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.807 9.350 -5.954 1.00 0.00 H new ATOM 150 N ILE A 13 1.249 7.811 -8.189 1.00 0.00 N ATOM 151 CA ILE A 13 2.679 7.603 -8.379 1.00 0.00 C ATOM 152 C ILE A 13 3.490 8.377 -7.345 1.00 0.00 C ATOM 153 O ILE A 13 3.227 9.552 -7.088 1.00 0.00 O ATOM 154 CB ILE A 13 3.127 8.031 -9.790 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.333 7.269 -10.853 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.620 7.795 -9.965 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.627 7.722 -12.266 1.00 0.00 C ATOM 0 H ILE A 13 0.930 8.758 -8.392 1.00 0.00 H new ATOM 0 HA ILE A 13 2.862 6.535 -8.256 1.00 0.00 H new ATOM 0 HB ILE A 13 2.931 9.096 -9.911 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.555 6.205 -10.767 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.268 7.390 -10.655 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.922 8.102 -10.966 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.170 8.378 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.839 6.736 -9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.029 7.139 -12.967 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.379 8.778 -12.369 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.685 7.575 -12.482 1.00 0.00 H new ATOM 169 N ILE A 14 4.477 7.710 -6.756 1.00 0.00 N ATOM 170 CA ILE A 14 5.328 8.336 -5.752 1.00 0.00 C ATOM 171 C ILE A 14 6.780 8.387 -6.215 1.00 0.00 C ATOM 172 O ILE A 14 7.346 7.374 -6.625 1.00 0.00 O ATOM 173 CB ILE A 14 5.256 7.588 -4.407 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.798 7.331 -4.019 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.967 8.380 -3.321 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.606 6.084 -3.184 1.00 0.00 C ATOM 0 H ILE A 14 4.707 6.737 -6.957 1.00 0.00 H new ATOM 0 HA ILE A 14 4.957 9.352 -5.614 1.00 0.00 H new ATOM 0 HB ILE A 14 5.758 6.627 -4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.421 8.191 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.198 7.247 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.907 7.838 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.013 8.516 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.491 9.354 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.549 5.965 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.952 5.215 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.178 6.173 -2.260 1.00 0.00 H new ATOM 188 N GLN A 15 7.376 9.573 -6.147 1.00 0.00 N ATOM 189 CA GLN A 15 8.763 9.755 -6.559 1.00 0.00 C ATOM 190 C GLN A 15 9.674 9.916 -5.346 1.00 0.00 C ATOM 191 O GLN A 15 9.525 10.855 -4.565 1.00 0.00 O ATOM 192 CB GLN A 15 8.889 10.975 -7.472 1.00 0.00 C ATOM 193 CG GLN A 15 8.588 12.291 -6.775 1.00 0.00 C ATOM 194 CD GLN A 15 8.170 13.382 -7.741 1.00 0.00 C ATOM 195 OE1 GLN A 15 8.919 13.743 -8.650 1.00 0.00 O ATOM 196 NE2 GLN A 15 6.968 13.914 -7.550 1.00 0.00 N ATOM 0 H GLN A 15 6.921 10.422 -5.811 1.00 0.00 H new ATOM 0 HA GLN A 15 9.073 8.866 -7.108 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.900 11.012 -7.878 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.210 10.858 -8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.796 12.137 -6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.471 12.617 -6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.380 13.585 -6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.633 14.652 -8.169 1.00 0.00 H new ATOM 205 N LYS A 16 10.618 8.993 -5.195 1.00 0.00 N ATOM 206 CA LYS A 16 11.555 9.032 -4.079 1.00 0.00 C ATOM 207 C LYS A 16 12.033 10.457 -3.819 1.00 0.00 C ATOM 208 O LYS A 16 12.608 11.099 -4.697 1.00 0.00 O ATOM 209 CB LYS A 16 12.755 8.125 -4.361 1.00 0.00 C ATOM 210 CG LYS A 16 13.513 8.494 -5.625 1.00 0.00 C ATOM 211 CD LYS A 16 14.392 7.351 -6.102 1.00 0.00 C ATOM 212 CE LYS A 16 15.729 7.335 -5.376 1.00 0.00 C ATOM 213 NZ LYS A 16 16.505 8.584 -5.615 1.00 0.00 N ATOM 0 H LYS A 16 10.754 8.208 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 16 11.036 8.673 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.438 8.166 -3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.410 7.094 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.805 8.762 -6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.129 9.374 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.878 6.404 -5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.561 7.444 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.560 7.212 -4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.312 6.476 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.518 8.396 -5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.348 8.909 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.192 9.320 -4.950 1.00 0.00 H new ATOM 227 N ASP A 17 11.791 10.945 -2.607 1.00 0.00 N ATOM 228 CA ASP A 17 12.199 12.293 -2.230 1.00 0.00 C ATOM 229 C ASP A 17 13.341 12.253 -1.220 1.00 0.00 C ATOM 230 O ASP A 17 14.310 13.005 -1.334 1.00 0.00 O ATOM 231 CB ASP A 17 11.013 13.064 -1.648 1.00 0.00 C ATOM 232 CG ASP A 17 9.933 13.329 -2.678 1.00 0.00 C ATOM 233 OD1 ASP A 17 10.158 14.174 -3.570 1.00 0.00 O ATOM 234 OD2 ASP A 17 8.863 12.692 -2.592 1.00 0.00 O ATOM 0 H ASP A 17 11.314 10.427 -1.869 1.00 0.00 H new ATOM 0 HA ASP A 17 12.549 12.804 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.589 12.499 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.364 14.013 -1.242 1.00 0.00 H new ATOM 239 N GLN A 18 13.220 11.373 -0.232 1.00 0.00 N ATOM 240 CA GLN A 18 14.242 11.237 0.800 1.00 0.00 C ATOM 241 C GLN A 18 14.949 9.891 0.692 1.00 0.00 C ATOM 242 O GLN A 18 14.905 9.079 1.617 1.00 0.00 O ATOM 243 CB GLN A 18 13.619 11.390 2.188 1.00 0.00 C ATOM 244 CG GLN A 18 14.605 11.844 3.251 1.00 0.00 C ATOM 245 CD GLN A 18 15.427 10.701 3.813 1.00 0.00 C ATOM 246 OE1 GLN A 18 14.894 9.640 4.140 1.00 0.00 O ATOM 247 NE2 GLN A 18 16.733 10.910 3.927 1.00 0.00 N ATOM 0 H GLN A 18 12.425 10.743 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 18 14.979 12.026 0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.801 12.108 2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.186 10.436 2.490 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.274 12.592 2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.061 12.328 4.062 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.133 11.805 3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.337 10.176 4.298 1.00 0.00 H new ATOM 256 N HIS A 19 15.600 9.659 -0.444 1.00 0.00 N ATOM 257 CA HIS A 19 16.317 8.409 -0.673 1.00 0.00 C ATOM 258 C HIS A 19 15.436 7.209 -0.340 1.00 0.00 C ATOM 259 O HIS A 19 15.851 6.304 0.383 1.00 0.00 O ATOM 260 CB HIS A 19 17.594 8.368 0.166 1.00 0.00 C ATOM 261 CG HIS A 19 18.662 9.298 -0.322 1.00 0.00 C ATOM 262 ND1 HIS A 19 19.917 8.870 -0.699 1.00 0.00 N ATOM 263 CD2 HIS A 19 18.655 10.640 -0.495 1.00 0.00 C ATOM 264 CE1 HIS A 19 20.637 9.910 -1.082 1.00 0.00 C ATOM 265 NE2 HIS A 19 19.895 10.996 -0.968 1.00 0.00 N ATOM 0 H HIS A 19 15.646 10.320 -1.220 1.00 0.00 H new ATOM 0 HA HIS A 19 16.584 8.360 -1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.349 8.619 1.198 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.984 7.350 0.170 1.00 0.00 H new ATOM 0 HD2 HIS A 19 17.829 11.307 -0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 19 21.659 9.877 -1.429 1.00 0.00 H new ATOM 0 HE2 HIS A 19 20.194 11.945 -1.194 1.00 0.00 H new ATOM 274 N GLY A 20 14.218 7.208 -0.873 1.00 0.00 N ATOM 275 CA GLY A 20 13.298 6.115 -0.620 1.00 0.00 C ATOM 276 C GLY A 20 11.888 6.596 -0.341 1.00 0.00 C ATOM 277 O GLY A 20 11.662 7.787 -0.124 1.00 0.00 O ATOM 0 H GLY A 20 13.852 7.945 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.287 5.447 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.655 5.533 0.230 1.00 0.00 H new ATOM 281 N PHE A 21 10.936 5.669 -0.347 1.00 0.00 N ATOM 282 CA PHE A 21 9.539 6.005 -0.095 1.00 0.00 C ATOM 283 C PHE A 21 9.296 6.237 1.393 1.00 0.00 C ATOM 284 O PHE A 21 10.228 6.220 2.196 1.00 0.00 O ATOM 285 CB PHE A 21 8.624 4.891 -0.606 1.00 0.00 C ATOM 286 CG PHE A 21 8.892 4.501 -2.032 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.601 5.373 -3.069 1.00 0.00 C ATOM 288 CD2 PHE A 21 9.436 3.263 -2.335 1.00 0.00 C ATOM 289 CE1 PHE A 21 8.847 5.016 -4.381 1.00 0.00 C ATOM 290 CE2 PHE A 21 9.684 2.901 -3.646 1.00 0.00 C ATOM 291 CZ PHE A 21 9.390 3.780 -4.670 1.00 0.00 C ATOM 0 H PHE A 21 11.106 4.679 -0.524 1.00 0.00 H new ATOM 0 HA PHE A 21 9.310 6.927 -0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.742 4.014 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.587 5.213 -0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.177 6.342 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.669 2.573 -1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.614 5.704 -5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.107 1.933 -3.869 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.585 3.501 -5.695 1.00 0.00 H new ATOM 301 N GLY A 22 8.034 6.453 1.754 1.00 0.00 N ATOM 302 CA GLY A 22 7.689 6.686 3.144 1.00 0.00 C ATOM 303 C GLY A 22 6.442 5.936 3.565 1.00 0.00 C ATOM 304 O GLY A 22 5.688 6.401 4.421 1.00 0.00 O ATOM 0 H GLY A 22 7.245 6.471 1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.523 6.383 3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.538 7.754 3.304 1.00 0.00 H new ATOM 308 N PHE A 23 6.221 4.772 2.963 1.00 0.00 N ATOM 309 CA PHE A 23 5.054 3.957 3.278 1.00 0.00 C ATOM 310 C PHE A 23 5.432 2.482 3.380 1.00 0.00 C ATOM 311 O PHE A 23 6.403 2.034 2.769 1.00 0.00 O ATOM 312 CB PHE A 23 3.971 4.145 2.214 1.00 0.00 C ATOM 313 CG PHE A 23 4.146 3.256 1.017 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.020 3.605 0.000 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.437 2.070 0.908 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.182 2.788 -1.104 1.00 0.00 C ATOM 317 CE2 PHE A 23 3.595 1.250 -0.193 1.00 0.00 C ATOM 318 CZ PHE A 23 4.470 1.609 -1.200 1.00 0.00 C ATOM 0 H PHE A 23 6.835 4.372 2.254 1.00 0.00 H new ATOM 0 HA PHE A 23 4.665 4.282 4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.996 3.951 2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.971 5.185 1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.581 4.525 0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.753 1.783 1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.865 3.072 -1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.035 0.329 -0.266 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.597 0.969 -2.060 1.00 0.00 H new ATOM 328 N THR A 24 4.657 1.730 4.156 1.00 0.00 N ATOM 329 CA THR A 24 4.911 0.307 4.340 1.00 0.00 C ATOM 330 C THR A 24 3.607 -0.482 4.382 1.00 0.00 C ATOM 331 O THR A 24 2.590 0.005 4.875 1.00 0.00 O ATOM 332 CB THR A 24 5.701 0.040 5.634 1.00 0.00 C ATOM 333 OG1 THR A 24 4.932 0.446 6.771 1.00 0.00 O ATOM 334 CG2 THR A 24 7.028 0.784 5.621 1.00 0.00 C ATOM 0 H THR A 24 3.848 2.083 4.667 1.00 0.00 H new ATOM 0 HA THR A 24 5.505 -0.021 3.487 1.00 0.00 H new ATOM 0 HB THR A 24 5.902 -1.029 5.696 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.441 0.271 7.590 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.569 0.580 6.545 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.624 0.451 4.771 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.844 1.855 5.537 1.00 0.00 H new ATOM 342 N VAL A 25 3.644 -1.705 3.862 1.00 0.00 N ATOM 343 CA VAL A 25 2.466 -2.563 3.842 1.00 0.00 C ATOM 344 C VAL A 25 2.738 -3.888 4.546 1.00 0.00 C ATOM 345 O VAL A 25 3.849 -4.136 5.015 1.00 0.00 O ATOM 346 CB VAL A 25 2.003 -2.847 2.400 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.576 -1.559 1.713 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.105 -3.541 1.614 1.00 0.00 C ATOM 0 H VAL A 25 4.477 -2.123 3.449 1.00 0.00 H new ATOM 0 HA VAL A 25 1.677 -2.029 4.371 1.00 0.00 H new ATOM 0 HB VAL A 25 1.141 -3.513 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.252 -1.779 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.752 -1.107 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.417 -0.866 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.761 -3.734 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.988 -2.902 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.357 -4.485 2.097 1.00 0.00 H new ATOM 358 N SER A 26 1.717 -4.735 4.618 1.00 0.00 N ATOM 359 CA SER A 26 1.845 -6.034 5.268 1.00 0.00 C ATOM 360 C SER A 26 0.607 -6.891 5.019 1.00 0.00 C ATOM 361 O SER A 26 -0.521 -6.446 5.225 1.00 0.00 O ATOM 362 CB SER A 26 2.060 -5.855 6.772 1.00 0.00 C ATOM 363 OG SER A 26 3.436 -5.699 7.075 1.00 0.00 O ATOM 0 H SER A 26 0.791 -4.545 4.234 1.00 0.00 H new ATOM 0 HA SER A 26 2.710 -6.543 4.841 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.506 -4.983 7.121 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.663 -6.719 7.305 1.00 0.00 H new ATOM 0 HG SER A 26 3.826 -5.020 6.486 1.00 0.00 H new ATOM 369 N GLY A 27 0.829 -8.123 4.573 1.00 0.00 N ATOM 370 CA GLY A 27 -0.276 -9.024 4.302 1.00 0.00 C ATOM 371 C GLY A 27 0.085 -10.099 3.296 1.00 0.00 C ATOM 372 O GLY A 27 0.810 -9.841 2.336 1.00 0.00 O ATOM 0 H GLY A 27 1.754 -8.514 4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.594 -9.494 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.124 -8.451 3.928 1.00 0.00 H new ATOM 376 N ASP A 28 -0.420 -11.308 3.517 1.00 0.00 N ATOM 377 CA ASP A 28 -0.146 -12.426 2.623 1.00 0.00 C ATOM 378 C ASP A 28 -0.924 -12.283 1.319 1.00 0.00 C ATOM 379 O ASP A 28 -0.346 -12.014 0.266 1.00 0.00 O ATOM 380 CB ASP A 28 -0.504 -13.749 3.302 1.00 0.00 C ATOM 381 CG ASP A 28 0.344 -14.903 2.805 1.00 0.00 C ATOM 382 OD1 ASP A 28 1.577 -14.860 2.999 1.00 0.00 O ATOM 383 OD2 ASP A 28 -0.225 -15.849 2.220 1.00 0.00 O ATOM 0 H ASP A 28 -1.021 -11.538 4.308 1.00 0.00 H new ATOM 0 HA ASP A 28 0.919 -12.421 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.377 -13.647 4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.556 -13.972 3.124 1.00 0.00 H new ATOM 388 N ARG A 29 -2.239 -12.465 1.397 1.00 0.00 N ATOM 389 CA ARG A 29 -3.096 -12.358 0.223 1.00 0.00 C ATOM 390 C ARG A 29 -3.404 -10.898 -0.095 1.00 0.00 C ATOM 391 O ARG A 29 -2.991 -10.377 -1.131 1.00 0.00 O ATOM 392 CB ARG A 29 -4.398 -13.129 0.444 1.00 0.00 C ATOM 393 CG ARG A 29 -5.189 -13.368 -0.832 1.00 0.00 C ATOM 394 CD ARG A 29 -6.537 -14.009 -0.541 1.00 0.00 C ATOM 395 NE ARG A 29 -7.210 -13.377 0.591 1.00 0.00 N ATOM 396 CZ ARG A 29 -8.150 -13.976 1.314 1.00 0.00 C ATOM 397 NH1 ARG A 29 -8.525 -15.214 1.025 1.00 0.00 N ATOM 398 NH2 ARG A 29 -8.716 -13.335 2.329 1.00 0.00 N ATOM 0 H ARG A 29 -2.733 -12.687 2.261 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.564 -12.791 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.168 -14.090 0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.021 -12.579 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.340 -12.421 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.617 -14.010 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.171 -13.938 -1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.397 -15.070 -0.333 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.944 -12.424 0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.092 -15.709 0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.247 -15.671 1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.429 -12.382 2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.438 -13.795 2.884 1.00 0.00 H new ATOM 412 N ILE A 30 -4.132 -10.243 0.804 1.00 0.00 N ATOM 413 CA ILE A 30 -4.494 -8.844 0.620 1.00 0.00 C ATOM 414 C ILE A 30 -3.441 -7.919 1.221 1.00 0.00 C ATOM 415 O ILE A 30 -3.058 -8.069 2.382 1.00 0.00 O ATOM 416 CB ILE A 30 -5.861 -8.528 1.256 1.00 0.00 C ATOM 417 CG1 ILE A 30 -5.817 -8.780 2.764 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.954 -9.364 0.606 1.00 0.00 C ATOM 419 CD1 ILE A 30 -5.401 -7.567 3.567 1.00 0.00 C ATOM 0 H ILE A 30 -4.482 -10.660 1.667 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.553 -8.673 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.088 -7.475 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.801 -9.107 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.124 -9.596 2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.914 -9.129 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.998 -9.140 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.734 -10.422 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.392 -7.818 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.404 -7.252 3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.108 -6.755 3.393 1.00 0.00 H new ATOM 431 N VAL A 31 -2.978 -6.962 0.424 1.00 0.00 N ATOM 432 CA VAL A 31 -1.971 -6.010 0.878 1.00 0.00 C ATOM 433 C VAL A 31 -2.583 -4.634 1.117 1.00 0.00 C ATOM 434 O VAL A 31 -3.202 -4.054 0.224 1.00 0.00 O ATOM 435 CB VAL A 31 -0.823 -5.879 -0.140 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.183 -4.835 0.320 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.147 -7.225 -0.356 1.00 0.00 C ATOM 0 H VAL A 31 -3.284 -6.825 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.572 -6.395 1.817 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.240 -5.551 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.987 -4.757 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.314 -3.870 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.598 -5.129 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.662 -7.114 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.258 -7.585 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.876 -7.942 -0.735 1.00 0.00 H new ATOM 447 N LEU A 32 -2.406 -4.117 2.328 1.00 0.00 N ATOM 448 CA LEU A 32 -2.940 -2.807 2.686 1.00 0.00 C ATOM 449 C LEU A 32 -1.879 -1.956 3.375 1.00 0.00 C ATOM 450 O LEU A 32 -1.044 -2.468 4.121 1.00 0.00 O ATOM 451 CB LEU A 32 -4.157 -2.963 3.599 1.00 0.00 C ATOM 452 CG LEU A 32 -5.337 -3.742 3.017 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.184 -4.339 4.131 1.00 0.00 C ATOM 454 CD2 LEU A 32 -6.182 -2.844 2.125 1.00 0.00 C ATOM 0 H LEU A 32 -1.897 -4.584 3.078 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.244 -2.303 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.837 -3.458 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.506 -1.969 3.879 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.945 -4.558 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.019 -4.890 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.574 -5.016 4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.567 -3.540 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.017 -3.416 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.565 -2.007 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.570 -2.465 1.306 1.00 0.00 H new ATOM 466 N VAL A 33 -1.917 -0.651 3.121 1.00 0.00 N ATOM 467 CA VAL A 33 -0.961 0.272 3.720 1.00 0.00 C ATOM 468 C VAL A 33 -1.024 0.219 5.242 1.00 0.00 C ATOM 469 O VAL A 33 -1.994 0.672 5.849 1.00 0.00 O ATOM 470 CB VAL A 33 -1.214 1.720 3.257 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.422 2.699 4.110 1.00 0.00 C ATOM 472 CG2 VAL A 33 -0.864 1.877 1.785 1.00 0.00 C ATOM 0 H VAL A 33 -2.600 -0.210 2.505 1.00 0.00 H new ATOM 0 HA VAL A 33 0.030 -0.040 3.390 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.274 1.943 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.613 3.716 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.727 2.603 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.642 2.480 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.049 2.905 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.188 1.636 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.480 1.203 1.191 1.00 0.00 H new ATOM 482 N GLN A 34 0.017 -0.339 5.853 1.00 0.00 N ATOM 483 CA GLN A 34 0.079 -0.452 7.305 1.00 0.00 C ATOM 484 C GLN A 34 0.272 0.917 7.950 1.00 0.00 C ATOM 485 O GLN A 34 -0.541 1.350 8.766 1.00 0.00 O ATOM 486 CB GLN A 34 1.217 -1.387 7.716 1.00 0.00 C ATOM 487 CG GLN A 34 1.182 -1.780 9.184 1.00 0.00 C ATOM 488 CD GLN A 34 2.523 -2.274 9.689 1.00 0.00 C ATOM 489 OE1 GLN A 34 3.442 -1.486 9.917 1.00 0.00 O ATOM 490 NE2 GLN A 34 2.643 -3.584 9.867 1.00 0.00 N ATOM 0 H GLN A 34 0.828 -0.719 5.365 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.867 -0.867 7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.173 -2.289 7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.170 -0.903 7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.868 -0.922 9.778 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.434 -2.559 9.330 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.856 -4.200 9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.523 -3.974 10.205 1.00 0.00 H new ATOM 499 N SER A 35 1.354 1.594 7.578 1.00 0.00 N ATOM 500 CA SER A 35 1.656 2.912 8.123 1.00 0.00 C ATOM 501 C SER A 35 1.987 3.899 7.008 1.00 0.00 C ATOM 502 O SER A 35 2.202 3.507 5.861 1.00 0.00 O ATOM 503 CB SER A 35 2.826 2.825 9.106 1.00 0.00 C ATOM 504 OG SER A 35 2.475 2.068 10.251 1.00 0.00 O ATOM 0 H SER A 35 2.036 1.251 6.901 1.00 0.00 H new ATOM 0 HA SER A 35 0.772 3.270 8.651 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.685 2.369 8.614 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.127 3.828 9.408 1.00 0.00 H new ATOM 0 HG SER A 35 3.240 2.026 10.862 1.00 0.00 H new ATOM 510 N VAL A 36 2.025 5.182 7.353 1.00 0.00 N ATOM 511 CA VAL A 36 2.330 6.226 6.383 1.00 0.00 C ATOM 512 C VAL A 36 3.113 7.364 7.028 1.00 0.00 C ATOM 513 O VAL A 36 2.660 7.970 7.999 1.00 0.00 O ATOM 514 CB VAL A 36 1.047 6.795 5.748 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.389 7.755 4.620 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.155 5.668 5.249 1.00 0.00 C ATOM 0 H VAL A 36 1.848 5.523 8.298 1.00 0.00 H new ATOM 0 HA VAL A 36 2.938 5.766 5.604 1.00 0.00 H new ATOM 0 HB VAL A 36 0.500 7.350 6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.470 8.146 4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.984 8.580 5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.958 7.228 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.747 6.088 4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.691 5.084 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.119 5.024 6.084 1.00 0.00 H new ATOM 526 N ARG A 37 4.290 7.650 6.481 1.00 0.00 N ATOM 527 CA ARG A 37 5.136 8.715 7.003 1.00 0.00 C ATOM 528 C ARG A 37 4.332 9.995 7.214 1.00 0.00 C ATOM 529 O ARG A 37 3.405 10.305 6.466 1.00 0.00 O ATOM 530 CB ARG A 37 6.302 8.984 6.049 1.00 0.00 C ATOM 531 CG ARG A 37 7.536 8.147 6.344 1.00 0.00 C ATOM 532 CD ARG A 37 8.810 8.873 5.941 1.00 0.00 C ATOM 533 NE ARG A 37 9.971 8.397 6.688 1.00 0.00 N ATOM 534 CZ ARG A 37 11.183 8.929 6.580 1.00 0.00 C ATOM 535 NH1 ARG A 37 11.392 9.949 5.760 1.00 0.00 N ATOM 536 NH2 ARG A 37 12.190 8.440 7.293 1.00 0.00 N ATOM 0 H ARG A 37 4.679 7.159 5.676 1.00 0.00 H new ATOM 0 HA ARG A 37 5.531 8.391 7.966 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.977 8.789 5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.568 10.040 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.571 7.911 7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.471 7.200 5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.984 8.735 4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.686 9.943 6.108 1.00 0.00 H new ATOM 0 HE ARG A 37 9.844 7.613 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.621 10.327 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.324 10.356 5.679 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.033 7.655 7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.120 8.849 7.209 1.00 0.00 H new ATOM 550 N PRO A 38 4.694 10.756 8.257 1.00 0.00 N ATOM 551 CA PRO A 38 4.019 12.014 8.591 1.00 0.00 C ATOM 552 C PRO A 38 4.298 13.110 7.569 1.00 0.00 C ATOM 553 O PRO A 38 3.789 14.224 7.684 1.00 0.00 O ATOM 554 CB PRO A 38 4.616 12.387 9.951 1.00 0.00 C ATOM 555 CG PRO A 38 5.949 11.722 9.975 1.00 0.00 C ATOM 556 CD PRO A 38 5.790 10.448 9.191 1.00 0.00 C ATOM 0 HA PRO A 38 2.935 11.904 8.602 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.711 13.468 10.059 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.985 12.039 10.769 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.712 12.361 9.531 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.263 11.514 10.998 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.706 10.185 8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.542 9.606 9.838 1.00 0.00 H new ATOM 564 N GLY A 39 5.111 12.787 6.567 1.00 0.00 N ATOM 565 CA GLY A 39 5.443 13.756 5.539 1.00 0.00 C ATOM 566 C GLY A 39 6.293 13.160 4.435 1.00 0.00 C ATOM 567 O GLY A 39 7.066 13.866 3.787 1.00 0.00 O ATOM 0 H GLY A 39 5.545 11.872 6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.524 14.156 5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.975 14.593 5.991 1.00 0.00 H new ATOM 571 N GLY A 40 6.152 11.856 4.219 1.00 0.00 N ATOM 572 CA GLY A 40 6.922 11.187 3.186 1.00 0.00 C ATOM 573 C GLY A 40 6.288 11.317 1.815 1.00 0.00 C ATOM 574 O GLY A 40 5.176 11.827 1.684 1.00 0.00 O ATOM 0 H GLY A 40 5.518 11.251 4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.928 11.605 3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.022 10.131 3.438 1.00 0.00 H new ATOM 578 N ALA A 41 6.998 10.856 0.791 1.00 0.00 N ATOM 579 CA ALA A 41 6.497 10.922 -0.577 1.00 0.00 C ATOM 580 C ALA A 41 5.109 10.302 -0.684 1.00 0.00 C ATOM 581 O ALA A 41 4.325 10.660 -1.563 1.00 0.00 O ATOM 582 CB ALA A 41 7.462 10.228 -1.526 1.00 0.00 C ATOM 0 H ALA A 41 7.922 10.433 0.882 1.00 0.00 H new ATOM 0 HA ALA A 41 6.419 11.972 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.076 10.285 -2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.434 10.718 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.569 9.183 -1.236 1.00 0.00 H new ATOM 588 N ALA A 42 4.811 9.370 0.216 1.00 0.00 N ATOM 589 CA ALA A 42 3.515 8.701 0.222 1.00 0.00 C ATOM 590 C ALA A 42 2.425 9.622 0.759 1.00 0.00 C ATOM 591 O ALA A 42 1.369 9.772 0.145 1.00 0.00 O ATOM 592 CB ALA A 42 3.585 7.425 1.048 1.00 0.00 C ATOM 0 H ALA A 42 5.449 9.061 0.950 1.00 0.00 H new ATOM 0 HA ALA A 42 3.261 8.442 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.611 6.935 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.330 6.755 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.864 7.670 2.073 1.00 0.00 H new ATOM 598 N MET A 43 2.687 10.236 1.908 1.00 0.00 N ATOM 599 CA MET A 43 1.727 11.143 2.526 1.00 0.00 C ATOM 600 C MET A 43 1.369 12.284 1.579 1.00 0.00 C ATOM 601 O MET A 43 0.202 12.654 1.450 1.00 0.00 O ATOM 602 CB MET A 43 2.293 11.706 3.831 1.00 0.00 C ATOM 603 CG MET A 43 1.274 12.483 4.650 1.00 0.00 C ATOM 604 SD MET A 43 -0.100 11.456 5.205 1.00 0.00 S ATOM 605 CE MET A 43 0.339 11.204 6.923 1.00 0.00 C ATOM 0 H MET A 43 3.556 10.122 2.430 1.00 0.00 H new ATOM 0 HA MET A 43 0.820 10.579 2.745 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.681 10.885 4.433 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.135 12.358 3.601 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.768 12.921 5.517 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.887 13.309 4.053 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.567 11.083 7.516 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.955 10.309 7.014 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.897 12.067 7.286 1.00 0.00 H new ATOM 615 N LYS A 44 2.380 12.838 0.919 1.00 0.00 N ATOM 616 CA LYS A 44 2.173 13.937 -0.017 1.00 0.00 C ATOM 617 C LYS A 44 1.497 13.444 -1.292 1.00 0.00 C ATOM 618 O LYS A 44 0.993 14.239 -2.085 1.00 0.00 O ATOM 619 CB LYS A 44 3.509 14.601 -0.359 1.00 0.00 C ATOM 620 CG LYS A 44 4.543 13.637 -0.913 1.00 0.00 C ATOM 621 CD LYS A 44 4.462 13.541 -2.427 1.00 0.00 C ATOM 622 CE LYS A 44 5.181 14.701 -3.099 1.00 0.00 C ATOM 623 NZ LYS A 44 4.337 15.927 -3.141 1.00 0.00 N ATOM 0 H LYS A 44 3.352 12.544 1.015 1.00 0.00 H new ATOM 0 HA LYS A 44 1.522 14.670 0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.336 15.393 -1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.910 15.075 0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.541 13.965 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.392 12.650 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.901 12.599 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.417 13.531 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.106 14.915 -2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.459 14.417 -4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.499 16.430 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.334 15.661 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.587 16.548 -2.345 1.00 0.00 H new ATOM 637 N ALA A 45 1.488 12.129 -1.483 1.00 0.00 N ATOM 638 CA ALA A 45 0.871 11.531 -2.660 1.00 0.00 C ATOM 639 C ALA A 45 -0.618 11.289 -2.435 1.00 0.00 C ATOM 640 O ALA A 45 -1.414 11.346 -3.371 1.00 0.00 O ATOM 641 CB ALA A 45 1.571 10.229 -3.019 1.00 0.00 C ATOM 0 H ALA A 45 1.902 11.457 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 45 0.978 12.229 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.100 9.793 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.622 10.427 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.494 9.532 -2.184 1.00 0.00 H new ATOM 647 N GLY A 46 -0.987 11.017 -1.187 1.00 0.00 N ATOM 648 CA GLY A 46 -2.380 10.770 -0.863 1.00 0.00 C ATOM 649 C GLY A 46 -2.638 9.327 -0.475 1.00 0.00 C ATOM 650 O GLY A 46 -3.703 8.781 -0.760 1.00 0.00 O ATOM 0 H GLY A 46 -0.347 10.963 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.680 11.423 -0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.001 11.029 -1.721 1.00 0.00 H new ATOM 654 N VAL A 47 -1.658 8.707 0.176 1.00 0.00 N ATOM 655 CA VAL A 47 -1.783 7.319 0.603 1.00 0.00 C ATOM 656 C VAL A 47 -2.091 7.228 2.093 1.00 0.00 C ATOM 657 O VAL A 47 -1.247 7.540 2.933 1.00 0.00 O ATOM 658 CB VAL A 47 -0.499 6.522 0.305 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.635 5.088 0.793 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.182 6.560 -1.182 1.00 0.00 C ATOM 0 H VAL A 47 -0.769 9.145 0.419 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.609 6.887 0.038 1.00 0.00 H new ATOM 0 HB VAL A 47 0.329 6.986 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.282 4.541 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.811 5.085 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.473 4.609 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.728 5.992 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.008 6.122 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.038 7.594 -1.497 1.00 0.00 H new ATOM 670 N LYS A 48 -3.306 6.797 2.416 1.00 0.00 N ATOM 671 CA LYS A 48 -3.726 6.662 3.805 1.00 0.00 C ATOM 672 C LYS A 48 -3.808 5.193 4.209 1.00 0.00 C ATOM 673 O LYS A 48 -3.878 4.309 3.356 1.00 0.00 O ATOM 674 CB LYS A 48 -5.084 7.336 4.016 1.00 0.00 C ATOM 675 CG LYS A 48 -5.010 8.852 4.059 1.00 0.00 C ATOM 676 CD LYS A 48 -6.351 9.485 3.726 1.00 0.00 C ATOM 677 CE LYS A 48 -6.553 9.604 2.223 1.00 0.00 C ATOM 678 NZ LYS A 48 -5.904 10.826 1.671 1.00 0.00 N ATOM 0 H LYS A 48 -4.017 6.535 1.733 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.982 7.152 4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.758 7.036 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.518 6.975 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.691 9.174 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.257 9.201 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.154 8.886 4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.411 10.473 4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.144 8.722 1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.620 9.627 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.064 10.871 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.312 11.670 2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.882 10.792 1.860 1.00 0.00 H new ATOM 692 N GLU A 49 -3.799 4.941 5.514 1.00 0.00 N ATOM 693 CA GLU A 49 -3.873 3.579 6.029 1.00 0.00 C ATOM 694 C GLU A 49 -5.203 2.929 5.659 1.00 0.00 C ATOM 695 O GLU A 49 -6.271 3.432 6.006 1.00 0.00 O ATOM 696 CB GLU A 49 -3.696 3.574 7.549 1.00 0.00 C ATOM 697 CG GLU A 49 -2.277 3.879 7.997 1.00 0.00 C ATOM 698 CD GLU A 49 -2.150 3.979 9.505 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.915 4.755 10.114 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.285 3.281 10.076 1.00 0.00 O ATOM 0 H GLU A 49 -3.741 5.662 6.233 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.067 3.002 5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.372 4.308 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.989 2.599 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.609 3.099 7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.951 4.816 7.546 1.00 0.00 H new ATOM 707 N GLY A 50 -5.130 1.805 4.951 1.00 0.00 N ATOM 708 CA GLY A 50 -6.334 1.104 4.545 1.00 0.00 C ATOM 709 C GLY A 50 -6.575 1.186 3.051 1.00 0.00 C ATOM 710 O GLY A 50 -7.711 1.357 2.607 1.00 0.00 O ATOM 0 H GLY A 50 -4.258 1.368 4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.259 0.058 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.191 1.524 5.072 1.00 0.00 H new ATOM 714 N ASP A 51 -5.506 1.065 2.273 1.00 0.00 N ATOM 715 CA ASP A 51 -5.606 1.126 0.819 1.00 0.00 C ATOM 716 C ASP A 51 -5.082 -0.158 0.183 1.00 0.00 C ATOM 717 O ASP A 51 -3.878 -0.411 0.175 1.00 0.00 O ATOM 718 CB ASP A 51 -4.829 2.329 0.283 1.00 0.00 C ATOM 719 CG ASP A 51 -5.277 3.634 0.912 1.00 0.00 C ATOM 720 OD1 ASP A 51 -5.807 3.597 2.042 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.096 4.693 0.275 1.00 0.00 O ATOM 0 H ASP A 51 -4.559 0.924 2.625 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.658 1.237 0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.765 2.184 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.956 2.388 -0.798 1.00 0.00 H new ATOM 726 N ARG A 52 -5.995 -0.965 -0.346 1.00 0.00 N ATOM 727 CA ARG A 52 -5.625 -2.224 -0.982 1.00 0.00 C ATOM 728 C ARG A 52 -4.975 -1.977 -2.340 1.00 0.00 C ATOM 729 O ARG A 52 -5.511 -1.245 -3.172 1.00 0.00 O ATOM 730 CB ARG A 52 -6.857 -3.116 -1.150 1.00 0.00 C ATOM 731 CG ARG A 52 -6.539 -4.603 -1.124 1.00 0.00 C ATOM 732 CD ARG A 52 -7.751 -5.424 -0.712 1.00 0.00 C ATOM 733 NE ARG A 52 -8.960 -5.006 -1.417 1.00 0.00 N ATOM 734 CZ ARG A 52 -10.189 -5.297 -1.004 1.00 0.00 C ATOM 735 NH1 ARG A 52 -10.370 -6.003 0.103 1.00 0.00 N ATOM 736 NH2 ARG A 52 -11.240 -4.881 -1.700 1.00 0.00 N ATOM 0 H ARG A 52 -6.996 -0.770 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.904 -2.728 -0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.569 -2.891 -0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.345 -2.874 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.201 -4.921 -2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.719 -4.789 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.560 -6.478 -0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.906 -5.327 0.363 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.855 -4.461 -2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.565 -6.324 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.315 -6.225 0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.104 -4.338 -2.552 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.183 -5.105 -1.382 1.00 0.00 H new ATOM 750 N ILE A 53 -3.817 -2.591 -2.556 1.00 0.00 N ATOM 751 CA ILE A 53 -3.094 -2.438 -3.812 1.00 0.00 C ATOM 752 C ILE A 53 -3.626 -3.395 -4.873 1.00 0.00 C ATOM 753 O ILE A 53 -3.717 -4.602 -4.645 1.00 0.00 O ATOM 754 CB ILE A 53 -1.585 -2.683 -3.627 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.012 -1.714 -2.591 1.00 0.00 C ATOM 756 CG2 ILE A 53 -0.857 -2.537 -4.955 1.00 0.00 C ATOM 757 CD1 ILE A 53 0.210 -2.247 -1.875 1.00 0.00 C ATOM 0 H ILE A 53 -3.359 -3.199 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.249 -1.411 -4.142 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.440 -3.701 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.754 -0.777 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.783 -1.484 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.208 -2.713 -4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.250 -3.263 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.008 -1.530 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.562 -1.507 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.048 -3.168 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.997 -2.450 -2.601 1.00 0.00 H new ATOM 769 N ILE A 54 -3.976 -2.849 -6.033 1.00 0.00 N ATOM 770 CA ILE A 54 -4.496 -3.655 -7.130 1.00 0.00 C ATOM 771 C ILE A 54 -3.416 -3.930 -8.171 1.00 0.00 C ATOM 772 O ILE A 54 -3.155 -5.080 -8.523 1.00 0.00 O ATOM 773 CB ILE A 54 -5.692 -2.967 -7.816 1.00 0.00 C ATOM 774 CG1 ILE A 54 -6.625 -2.355 -6.770 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.444 -3.960 -8.690 1.00 0.00 C ATOM 776 CD1 ILE A 54 -7.373 -3.385 -5.952 1.00 0.00 C ATOM 0 H ILE A 54 -3.909 -1.852 -6.237 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.829 -4.599 -6.698 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.316 -2.166 -8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.042 -1.724 -6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.345 -1.708 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.286 -3.459 -9.168 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.774 -4.352 -9.455 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.812 -4.781 -8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.015 -2.880 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.983 -4.001 -6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.660 -4.017 -5.423 1.00 0.00 H new ATOM 788 N LYS A 55 -2.789 -2.865 -8.660 1.00 0.00 N ATOM 789 CA LYS A 55 -1.735 -2.990 -9.659 1.00 0.00 C ATOM 790 C LYS A 55 -0.451 -2.318 -9.182 1.00 0.00 C ATOM 791 O LYS A 55 -0.489 -1.263 -8.548 1.00 0.00 O ATOM 792 CB LYS A 55 -2.184 -2.371 -10.985 1.00 0.00 C ATOM 793 CG LYS A 55 -1.377 -2.845 -12.181 1.00 0.00 C ATOM 794 CD LYS A 55 -1.827 -2.163 -13.463 1.00 0.00 C ATOM 795 CE LYS A 55 -2.954 -2.931 -14.136 1.00 0.00 C ATOM 796 NZ LYS A 55 -3.262 -2.390 -15.489 1.00 0.00 N ATOM 0 H LYS A 55 -2.993 -1.906 -8.380 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.536 -4.051 -9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.235 -2.608 -11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.109 -1.286 -10.914 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.320 -2.642 -12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.481 -3.925 -12.286 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.159 -1.149 -13.240 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.983 -2.079 -14.147 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.678 -3.982 -14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.848 -2.884 -13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.035 -2.940 -15.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.550 -1.394 -15.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.417 -2.458 -16.091 1.00 0.00 H new ATOM 810 N VAL A 56 0.685 -2.935 -9.491 1.00 0.00 N ATOM 811 CA VAL A 56 1.980 -2.395 -9.095 1.00 0.00 C ATOM 812 C VAL A 56 2.972 -2.443 -10.252 1.00 0.00 C ATOM 813 O VAL A 56 3.529 -3.496 -10.563 1.00 0.00 O ATOM 814 CB VAL A 56 2.568 -3.166 -7.898 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.909 -2.577 -7.489 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.594 -3.157 -6.729 1.00 0.00 C ATOM 0 H VAL A 56 0.735 -3.809 -10.014 1.00 0.00 H new ATOM 0 HA VAL A 56 1.814 -1.358 -8.804 1.00 0.00 H new ATOM 0 HB VAL A 56 2.730 -4.201 -8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.308 -3.135 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.605 -2.640 -8.326 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.777 -1.533 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.025 -3.706 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.399 -2.128 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.659 -3.630 -7.030 1.00 0.00 H new ATOM 826 N ASN A 57 3.188 -1.296 -10.887 1.00 0.00 N ATOM 827 CA ASN A 57 4.114 -1.206 -12.011 1.00 0.00 C ATOM 828 C ASN A 57 3.744 -2.209 -13.100 1.00 0.00 C ATOM 829 O ASN A 57 4.609 -2.888 -13.652 1.00 0.00 O ATOM 830 CB ASN A 57 5.548 -1.455 -11.539 1.00 0.00 C ATOM 831 CG ASN A 57 6.245 -0.178 -11.112 1.00 0.00 C ATOM 832 OD1 ASN A 57 5.624 0.881 -11.021 1.00 0.00 O ATOM 833 ND2 ASN A 57 7.543 -0.272 -10.848 1.00 0.00 N ATOM 0 H ASN A 57 2.735 -0.416 -10.643 1.00 0.00 H new ATOM 0 HA ASN A 57 4.045 -0.201 -12.427 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.537 -2.156 -10.704 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.116 -1.925 -12.342 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.065 0.554 -10.557 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.018 -1.170 -10.937 1.00 0.00 H new ATOM 840 N GLY A 58 2.453 -2.294 -13.405 1.00 0.00 N ATOM 841 CA GLY A 58 1.992 -3.215 -14.427 1.00 0.00 C ATOM 842 C GLY A 58 2.008 -4.657 -13.960 1.00 0.00 C ATOM 843 O GLY A 58 1.894 -5.581 -14.765 1.00 0.00 O ATOM 0 H GLY A 58 1.718 -1.742 -12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.979 -2.944 -14.725 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.622 -3.116 -15.311 1.00 0.00 H new ATOM 847 N THR A 59 2.152 -4.852 -12.652 1.00 0.00 N ATOM 848 CA THR A 59 2.187 -6.191 -12.078 1.00 0.00 C ATOM 849 C THR A 59 1.083 -6.374 -11.043 1.00 0.00 C ATOM 850 O THR A 59 1.188 -5.888 -9.917 1.00 0.00 O ATOM 851 CB THR A 59 3.547 -6.485 -11.419 1.00 0.00 C ATOM 852 OG1 THR A 59 4.611 -6.094 -12.294 1.00 0.00 O ATOM 853 CG2 THR A 59 3.678 -7.963 -11.083 1.00 0.00 C ATOM 0 H THR A 59 2.246 -4.099 -11.971 1.00 0.00 H new ATOM 0 HA THR A 59 2.031 -6.891 -12.899 1.00 0.00 H new ATOM 0 HB THR A 59 3.608 -5.911 -10.494 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.472 -6.283 -11.866 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.647 -8.146 -10.618 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.885 -8.251 -10.393 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.596 -8.552 -11.996 1.00 0.00 H new ATOM 861 N MET A 60 0.025 -7.078 -11.431 1.00 0.00 N ATOM 862 CA MET A 60 -1.098 -7.327 -10.534 1.00 0.00 C ATOM 863 C MET A 60 -0.652 -8.121 -9.311 1.00 0.00 C ATOM 864 O MET A 60 -0.160 -9.244 -9.433 1.00 0.00 O ATOM 865 CB MET A 60 -2.208 -8.080 -11.269 1.00 0.00 C ATOM 866 CG MET A 60 -3.043 -7.195 -12.181 1.00 0.00 C ATOM 867 SD MET A 60 -4.654 -7.911 -12.560 1.00 0.00 S ATOM 868 CE MET A 60 -5.746 -6.673 -11.866 1.00 0.00 C ATOM 0 H MET A 60 -0.079 -7.486 -12.360 1.00 0.00 H new ATOM 0 HA MET A 60 -1.483 -6.364 -10.199 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.763 -8.880 -11.861 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.862 -8.552 -10.536 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.184 -6.223 -11.708 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.499 -7.022 -13.110 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.782 -6.974 -12.021 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.553 -6.575 -10.798 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.569 -5.716 -12.356 1.00 0.00 H new ATOM 878 N VAL A 61 -0.825 -7.532 -8.132 1.00 0.00 N ATOM 879 CA VAL A 61 -0.441 -8.186 -6.887 1.00 0.00 C ATOM 880 C VAL A 61 -1.655 -8.434 -5.999 1.00 0.00 C ATOM 881 O VAL A 61 -1.537 -8.518 -4.776 1.00 0.00 O ATOM 882 CB VAL A 61 0.589 -7.347 -6.108 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.844 -7.133 -6.940 1.00 0.00 C ATOM 884 CG2 VAL A 61 -0.016 -6.016 -5.688 1.00 0.00 C ATOM 0 H VAL A 61 -1.229 -6.603 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 61 0.009 -9.142 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 61 0.869 -7.893 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.560 -6.538 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.287 -8.098 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.586 -6.609 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.726 -5.436 -5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.326 -5.462 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.882 -6.195 -5.050 1.00 0.00 H new ATOM 894 N THR A 62 -2.824 -8.551 -6.622 1.00 0.00 N ATOM 895 CA THR A 62 -4.060 -8.788 -5.889 1.00 0.00 C ATOM 896 C THR A 62 -3.967 -10.057 -5.049 1.00 0.00 C ATOM 897 O THR A 62 -4.616 -10.175 -4.011 1.00 0.00 O ATOM 898 CB THR A 62 -5.265 -8.904 -6.842 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.945 -9.775 -7.932 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.665 -7.538 -7.378 1.00 0.00 C ATOM 0 H THR A 62 -2.940 -8.485 -7.633 1.00 0.00 H new ATOM 0 HA THR A 62 -4.207 -7.931 -5.232 1.00 0.00 H new ATOM 0 HB THR A 62 -6.104 -9.316 -6.282 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.716 -9.845 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.518 -7.646 -8.048 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.936 -6.886 -6.547 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.828 -7.102 -7.923 1.00 0.00 H new ATOM 908 N ASN A 63 -3.154 -11.004 -5.506 1.00 0.00 N ATOM 909 CA ASN A 63 -2.975 -12.266 -4.795 1.00 0.00 C ATOM 910 C ASN A 63 -1.534 -12.424 -4.323 1.00 0.00 C ATOM 911 O ASN A 63 -1.275 -13.002 -3.267 1.00 0.00 O ATOM 912 CB ASN A 63 -3.361 -13.441 -5.696 1.00 0.00 C ATOM 913 CG ASN A 63 -2.624 -14.715 -5.331 1.00 0.00 C ATOM 914 OD1 ASN A 63 -1.417 -14.829 -5.544 1.00 0.00 O ATOM 915 ND2 ASN A 63 -3.349 -15.680 -4.778 1.00 0.00 N ATOM 0 H ASN A 63 -2.609 -10.922 -6.364 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.626 -12.258 -3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.435 -13.613 -5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.147 -13.185 -6.734 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.908 -16.560 -4.511 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.347 -15.541 -4.620 1.00 0.00 H new ATOM 922 N SER A 64 -0.597 -11.907 -5.112 1.00 0.00 N ATOM 923 CA SER A 64 0.819 -11.994 -4.777 1.00 0.00 C ATOM 924 C SER A 64 1.036 -11.793 -3.280 1.00 0.00 C ATOM 925 O SER A 64 0.196 -11.214 -2.592 1.00 0.00 O ATOM 926 CB SER A 64 1.616 -10.952 -5.564 1.00 0.00 C ATOM 927 OG SER A 64 2.936 -11.402 -5.814 1.00 0.00 O ATOM 0 H SER A 64 -0.794 -11.423 -5.988 1.00 0.00 H new ATOM 0 HA SER A 64 1.171 -12.990 -5.047 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.114 -10.744 -6.509 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.647 -10.016 -5.006 1.00 0.00 H new ATOM 0 HG SER A 64 3.424 -10.719 -6.320 1.00 0.00 H new ATOM 933 N SER A 65 2.170 -12.277 -2.783 1.00 0.00 N ATOM 934 CA SER A 65 2.497 -12.154 -1.367 1.00 0.00 C ATOM 935 C SER A 65 3.323 -10.898 -1.107 1.00 0.00 C ATOM 936 O SER A 65 4.029 -10.411 -1.991 1.00 0.00 O ATOM 937 CB SER A 65 3.264 -13.390 -0.890 1.00 0.00 C ATOM 938 OG SER A 65 2.552 -14.578 -1.189 1.00 0.00 O ATOM 0 H SER A 65 2.877 -12.758 -3.339 1.00 0.00 H new ATOM 0 HA SER A 65 1.564 -12.076 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.244 -13.420 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.434 -13.324 0.185 1.00 0.00 H new ATOM 0 HG SER A 65 3.063 -15.353 -0.876 1.00 0.00 H new ATOM 944 N HIS A 66 3.230 -10.378 0.112 1.00 0.00 N ATOM 945 CA HIS A 66 3.968 -9.178 0.490 1.00 0.00 C ATOM 946 C HIS A 66 5.353 -9.168 -0.150 1.00 0.00 C ATOM 947 O HIS A 66 5.655 -8.317 -0.988 1.00 0.00 O ATOM 948 CB HIS A 66 4.096 -9.091 2.011 1.00 0.00 C ATOM 949 CG HIS A 66 4.736 -7.822 2.487 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.398 -7.719 3.692 1.00 0.00 N ATOM 951 CD2 HIS A 66 4.813 -6.600 1.911 1.00 0.00 C ATOM 952 CE1 HIS A 66 5.853 -6.488 3.837 1.00 0.00 C ATOM 953 NE2 HIS A 66 5.512 -5.789 2.770 1.00 0.00 N ATOM 0 H HIS A 66 2.651 -10.769 0.855 1.00 0.00 H new ATOM 0 HA HIS A 66 3.414 -8.312 0.129 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.105 -9.178 2.456 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.681 -9.939 2.367 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.401 -6.316 0.954 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.410 -6.116 4.684 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.732 -4.806 2.610 1.00 0.00 H new ATOM 962 N LEU A 67 6.191 -10.118 0.250 1.00 0.00 N ATOM 963 CA LEU A 67 7.545 -10.218 -0.284 1.00 0.00 C ATOM 964 C LEU A 67 7.582 -9.813 -1.754 1.00 0.00 C ATOM 965 O LEU A 67 8.279 -8.871 -2.130 1.00 0.00 O ATOM 966 CB LEU A 67 8.073 -11.645 -0.124 1.00 0.00 C ATOM 967 CG LEU A 67 8.609 -12.011 1.261 1.00 0.00 C ATOM 968 CD1 LEU A 67 8.595 -13.519 1.458 1.00 0.00 C ATOM 969 CD2 LEU A 67 10.014 -11.459 1.451 1.00 0.00 C ATOM 0 H LEU A 67 5.957 -10.830 0.942 1.00 0.00 H new ATOM 0 HA LEU A 67 8.182 -9.535 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.271 -12.338 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.869 -11.800 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 67 7.959 -11.562 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.980 -13.760 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.574 -13.889 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.221 -13.991 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.380 -11.729 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.675 -11.879 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.995 -10.373 1.354 1.00 0.00 H new ATOM 981 N GLU A 68 6.824 -10.528 -2.580 1.00 0.00 N ATOM 982 CA GLU A 68 6.770 -10.241 -4.008 1.00 0.00 C ATOM 983 C GLU A 68 6.484 -8.762 -4.255 1.00 0.00 C ATOM 984 O GLU A 68 7.080 -8.142 -5.135 1.00 0.00 O ATOM 985 CB GLU A 68 5.697 -11.099 -4.683 1.00 0.00 C ATOM 986 CG GLU A 68 5.912 -12.592 -4.506 1.00 0.00 C ATOM 987 CD GLU A 68 7.254 -13.056 -5.040 1.00 0.00 C ATOM 988 OE1 GLU A 68 7.724 -12.479 -6.042 1.00 0.00 O ATOM 989 OE2 GLU A 68 7.832 -13.996 -4.456 1.00 0.00 O ATOM 0 H GLU A 68 6.239 -11.310 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 68 7.742 -10.482 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.721 -10.830 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.675 -10.867 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.840 -12.843 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.115 -13.133 -5.017 1.00 0.00 H new ATOM 996 N VAL A 69 5.566 -8.204 -3.472 1.00 0.00 N ATOM 997 CA VAL A 69 5.201 -6.799 -3.604 1.00 0.00 C ATOM 998 C VAL A 69 6.362 -5.890 -3.217 1.00 0.00 C ATOM 999 O VAL A 69 6.657 -4.913 -3.906 1.00 0.00 O ATOM 1000 CB VAL A 69 3.979 -6.452 -2.733 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.513 -5.031 -3.008 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.854 -7.447 -2.974 1.00 0.00 C ATOM 0 H VAL A 69 5.062 -8.704 -2.740 1.00 0.00 H new ATOM 0 HA VAL A 69 4.949 -6.635 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 69 4.272 -6.516 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.649 -4.804 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.319 -4.333 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.237 -4.935 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.999 -7.187 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.561 -7.417 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.196 -8.451 -2.721 1.00 0.00 H new ATOM 1012 N VAL A 70 7.019 -6.218 -2.109 1.00 0.00 N ATOM 1013 CA VAL A 70 8.150 -5.433 -1.629 1.00 0.00 C ATOM 1014 C VAL A 70 9.193 -5.246 -2.725 1.00 0.00 C ATOM 1015 O VAL A 70 9.461 -4.125 -3.159 1.00 0.00 O ATOM 1016 CB VAL A 70 8.816 -6.095 -0.409 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.092 -5.358 -0.031 1.00 0.00 C ATOM 1018 CG2 VAL A 70 7.850 -6.143 0.765 1.00 0.00 C ATOM 0 H VAL A 70 6.787 -7.023 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 70 7.757 -4.460 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 70 9.081 -7.119 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.548 -5.840 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.788 -5.382 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.855 -4.323 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.338 -6.614 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.551 -5.129 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.968 -6.720 0.487 1.00 0.00 H new ATOM 1028 N LYS A 71 9.780 -6.352 -3.171 1.00 0.00 N ATOM 1029 CA LYS A 71 10.793 -6.312 -4.218 1.00 0.00 C ATOM 1030 C LYS A 71 10.317 -5.478 -5.404 1.00 0.00 C ATOM 1031 O LYS A 71 11.088 -4.715 -5.988 1.00 0.00 O ATOM 1032 CB LYS A 71 11.133 -7.730 -4.682 1.00 0.00 C ATOM 1033 CG LYS A 71 9.911 -8.583 -4.977 1.00 0.00 C ATOM 1034 CD LYS A 71 10.296 -10.021 -5.280 1.00 0.00 C ATOM 1035 CE LYS A 71 10.651 -10.783 -4.012 1.00 0.00 C ATOM 1036 NZ LYS A 71 11.143 -12.156 -4.310 1.00 0.00 N ATOM 0 H LYS A 71 9.571 -7.288 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 71 11.688 -5.847 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.750 -7.672 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.732 -8.221 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.234 -8.559 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.369 -8.164 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.470 -10.521 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.145 -10.035 -5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.415 -10.235 -3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.774 -10.843 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.374 -12.643 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.405 -12.688 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.994 -12.098 -4.904 1.00 0.00 H new ATOM 1050 N LEU A 72 9.045 -5.628 -5.754 1.00 0.00 N ATOM 1051 CA LEU A 72 8.466 -4.888 -6.870 1.00 0.00 C ATOM 1052 C LEU A 72 8.587 -3.384 -6.647 1.00 0.00 C ATOM 1053 O LEU A 72 8.904 -2.634 -7.571 1.00 0.00 O ATOM 1054 CB LEU A 72 6.996 -5.271 -7.054 1.00 0.00 C ATOM 1055 CG LEU A 72 6.733 -6.626 -7.711 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.271 -7.018 -7.560 1.00 0.00 C ATOM 1057 CD2 LEU A 72 7.129 -6.593 -9.179 1.00 0.00 C ATOM 0 H LEU A 72 8.394 -6.255 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 72 9.019 -5.149 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.514 -5.264 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.512 -4.499 -7.653 1.00 0.00 H new ATOM 0 HG LEU A 72 7.343 -7.376 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.103 -7.985 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.019 -7.084 -6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.642 -6.266 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.935 -7.566 -9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.546 -5.830 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.190 -6.359 -9.264 1.00 0.00 H new ATOM 1069 N ILE A 73 8.336 -2.952 -5.416 1.00 0.00 N ATOM 1070 CA ILE A 73 8.421 -1.538 -5.072 1.00 0.00 C ATOM 1071 C ILE A 73 9.857 -1.034 -5.168 1.00 0.00 C ATOM 1072 O ILE A 73 10.097 0.164 -5.321 1.00 0.00 O ATOM 1073 CB ILE A 73 7.889 -1.272 -3.651 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.419 -1.681 -3.548 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.063 0.195 -3.286 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.006 -2.107 -2.157 1.00 0.00 C ATOM 0 H ILE A 73 8.072 -3.560 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 73 7.801 -1.001 -5.790 1.00 0.00 H new ATOM 0 HB ILE A 73 8.464 -1.872 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.795 -0.845 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.229 -2.500 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.682 0.367 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.121 0.456 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.511 0.814 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.952 -2.383 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.605 -2.963 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.164 -1.282 -1.462 1.00 0.00 H new ATOM 1088 N LYS A 74 10.809 -1.956 -5.079 1.00 0.00 N ATOM 1089 CA LYS A 74 12.223 -1.607 -5.159 1.00 0.00 C ATOM 1090 C LYS A 74 12.692 -1.568 -6.610 1.00 0.00 C ATOM 1091 O LYS A 74 13.889 -1.648 -6.887 1.00 0.00 O ATOM 1092 CB LYS A 74 13.062 -2.612 -4.367 1.00 0.00 C ATOM 1093 CG LYS A 74 12.473 -2.963 -3.012 1.00 0.00 C ATOM 1094 CD LYS A 74 12.912 -1.979 -1.940 1.00 0.00 C ATOM 1095 CE LYS A 74 14.293 -2.321 -1.403 1.00 0.00 C ATOM 1096 NZ LYS A 74 15.373 -1.677 -2.200 1.00 0.00 N ATOM 0 H LYS A 74 10.627 -2.952 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 74 12.353 -0.615 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.170 -3.524 -4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.063 -2.204 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.385 -2.969 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.781 -3.970 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.920 -0.970 -2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.191 -1.984 -1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.368 -2.001 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.429 -3.402 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.150 -1.396 -1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.729 -2.349 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.995 -0.835 -2.680 1.00 0.00 H new ATOM 1110 N SER A 75 11.742 -1.444 -7.531 1.00 0.00 N ATOM 1111 CA SER A 75 12.059 -1.397 -8.954 1.00 0.00 C ATOM 1112 C SER A 75 11.673 -0.047 -9.552 1.00 0.00 C ATOM 1113 O SER A 75 10.494 0.242 -9.751 1.00 0.00 O ATOM 1114 CB SER A 75 11.336 -2.522 -9.697 1.00 0.00 C ATOM 1115 OG SER A 75 12.093 -3.720 -9.668 1.00 0.00 O ATOM 0 H SER A 75 10.747 -1.374 -7.318 1.00 0.00 H new ATOM 0 HA SER A 75 13.135 -1.531 -9.066 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.360 -2.694 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.159 -2.225 -10.731 1.00 0.00 H new ATOM 0 HG SER A 75 11.609 -4.424 -10.148 1.00 0.00 H new ATOM 1121 N GLY A 76 12.678 0.776 -9.837 1.00 0.00 N ATOM 1122 CA GLY A 76 12.424 2.085 -10.409 1.00 0.00 C ATOM 1123 C GLY A 76 12.295 3.165 -9.352 1.00 0.00 C ATOM 1124 O GLY A 76 11.853 2.899 -8.235 1.00 0.00 O ATOM 0 H GLY A 76 13.663 0.559 -9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.234 2.343 -11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.509 2.048 -11.000 1.00 0.00 H new ATOM 1128 N ALA A 77 12.683 4.386 -9.705 1.00 0.00 N ATOM 1129 CA ALA A 77 12.609 5.509 -8.779 1.00 0.00 C ATOM 1130 C ALA A 77 11.234 5.590 -8.125 1.00 0.00 C ATOM 1131 O ALA A 77 11.120 5.614 -6.899 1.00 0.00 O ATOM 1132 CB ALA A 77 12.929 6.810 -9.501 1.00 0.00 C ATOM 0 H ALA A 77 13.052 4.623 -10.626 1.00 0.00 H new ATOM 0 HA ALA A 77 13.348 5.350 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.870 7.641 -8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.935 6.757 -9.917 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.211 6.965 -10.306 1.00 0.00 H new ATOM 1138 N TYR A 78 10.193 5.632 -8.949 1.00 0.00 N ATOM 1139 CA TYR A 78 8.826 5.714 -8.449 1.00 0.00 C ATOM 1140 C TYR A 78 8.096 4.388 -8.640 1.00 0.00 C ATOM 1141 O TYR A 78 8.659 3.425 -9.161 1.00 0.00 O ATOM 1142 CB TYR A 78 8.066 6.834 -9.162 1.00 0.00 C ATOM 1143 CG TYR A 78 8.389 6.942 -10.635 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.871 6.032 -11.548 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.211 7.954 -11.114 1.00 0.00 C ATOM 1146 CE1 TYR A 78 8.164 6.126 -12.895 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.508 8.057 -12.459 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.982 7.141 -13.346 1.00 0.00 C ATOM 1149 OH TYR A 78 9.276 7.239 -14.686 1.00 0.00 O ATOM 0 H TYR A 78 10.270 5.611 -9.966 1.00 0.00 H new ATOM 0 HA TYR A 78 8.869 5.935 -7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.995 6.667 -9.045 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.296 7.783 -8.678 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.228 5.237 -11.199 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.625 8.673 -10.423 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.755 5.409 -13.591 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.149 8.851 -12.814 1.00 0.00 H new ATOM 0 HH TYR A 78 9.863 8.009 -14.837 1.00 0.00 H new ATOM 1159 N VAL A 79 6.837 4.346 -8.213 1.00 0.00 N ATOM 1160 CA VAL A 79 6.028 3.139 -8.338 1.00 0.00 C ATOM 1161 C VAL A 79 4.549 3.482 -8.476 1.00 0.00 C ATOM 1162 O VAL A 79 3.954 4.082 -7.581 1.00 0.00 O ATOM 1163 CB VAL A 79 6.217 2.209 -7.126 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.833 2.923 -5.839 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.405 0.934 -7.301 1.00 0.00 C ATOM 0 H VAL A 79 6.356 5.133 -7.778 1.00 0.00 H new ATOM 0 HA VAL A 79 6.364 2.623 -9.238 1.00 0.00 H new ATOM 0 HB VAL A 79 7.270 1.936 -7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.973 2.250 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.462 3.804 -5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.788 3.228 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.550 0.288 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.348 1.185 -7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.734 0.414 -8.201 1.00 0.00 H new ATOM 1175 N ALA A 80 3.960 3.096 -9.603 1.00 0.00 N ATOM 1176 CA ALA A 80 2.549 3.359 -9.857 1.00 0.00 C ATOM 1177 C ALA A 80 1.663 2.354 -9.130 1.00 0.00 C ATOM 1178 O ALA A 80 1.585 1.186 -9.516 1.00 0.00 O ATOM 1179 CB ALA A 80 2.268 3.330 -11.352 1.00 0.00 C ATOM 0 H ALA A 80 4.438 2.600 -10.355 1.00 0.00 H new ATOM 0 HA ALA A 80 2.315 4.352 -9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.211 3.528 -11.527 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.867 4.092 -11.850 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.525 2.349 -11.751 1.00 0.00 H new ATOM 1185 N LEU A 81 0.997 2.812 -8.077 1.00 0.00 N ATOM 1186 CA LEU A 81 0.116 1.952 -7.295 1.00 0.00 C ATOM 1187 C LEU A 81 -1.347 2.323 -7.519 1.00 0.00 C ATOM 1188 O LEU A 81 -1.716 3.497 -7.467 1.00 0.00 O ATOM 1189 CB LEU A 81 0.458 2.055 -5.807 1.00 0.00 C ATOM 1190 CG LEU A 81 1.865 1.607 -5.410 1.00 0.00 C ATOM 1191 CD1 LEU A 81 2.261 2.216 -4.074 1.00 0.00 C ATOM 1192 CD2 LEU A 81 1.944 0.089 -5.351 1.00 0.00 C ATOM 0 H LEU A 81 1.050 3.775 -7.744 1.00 0.00 H new ATOM 0 HA LEU A 81 0.266 0.924 -7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.327 3.091 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.263 1.460 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 81 2.565 1.958 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.265 1.886 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.244 3.303 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.558 1.896 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.952 -0.212 -5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.233 -0.284 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.704 -0.326 -6.330 1.00 0.00 H new ATOM 1204 N THR A 82 -2.177 1.314 -7.765 1.00 0.00 N ATOM 1205 CA THR A 82 -3.599 1.534 -7.996 1.00 0.00 C ATOM 1206 C THR A 82 -4.418 1.178 -6.760 1.00 0.00 C ATOM 1207 O THR A 82 -4.724 0.010 -6.520 1.00 0.00 O ATOM 1208 CB THR A 82 -4.109 0.706 -9.190 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.386 1.059 -10.375 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.597 0.934 -9.411 1.00 0.00 C ATOM 0 H THR A 82 -1.889 0.337 -7.809 1.00 0.00 H new ATOM 0 HA THR A 82 -3.723 2.594 -8.219 1.00 0.00 H new ATOM 0 HB THR A 82 -3.949 -0.349 -8.967 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.715 0.527 -11.130 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.934 0.339 -10.260 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.147 0.637 -8.518 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.777 1.990 -9.614 1.00 0.00 H new ATOM 1218 N LEU A 83 -4.771 2.193 -5.978 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.556 1.988 -4.766 1.00 0.00 C ATOM 1220 C LEU A 83 -7.050 2.022 -5.072 1.00 0.00 C ATOM 1221 O LEU A 83 -7.489 2.703 -5.999 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.212 3.055 -3.725 1.00 0.00 C ATOM 1223 CG LEU A 83 -3.730 3.406 -3.588 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.535 4.506 -2.556 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -2.922 2.172 -3.214 1.00 0.00 C ATOM 0 H LEU A 83 -4.526 3.166 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.309 1.005 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.759 3.965 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.576 2.718 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.373 3.772 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.474 4.742 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.082 5.397 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.909 4.168 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.870 2.441 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.281 1.776 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.036 1.414 -3.989 1.00 0.00 H new ATOM 1237 N LEU A 84 -7.826 1.285 -4.285 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.272 1.233 -4.471 1.00 0.00 C ATOM 1239 C LEU A 84 -9.999 1.722 -3.222 1.00 0.00 C ATOM 1240 O LEU A 84 -9.766 1.226 -2.121 1.00 0.00 O ATOM 1241 CB LEU A 84 -9.712 -0.194 -4.805 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.039 -0.330 -5.553 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.049 -1.595 -6.397 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.205 -0.329 -4.576 1.00 0.00 C ATOM 0 H LEU A 84 -7.479 0.716 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.531 1.890 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.931 -0.663 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.783 -0.758 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.148 0.527 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.001 -1.675 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.237 -1.555 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.916 -2.464 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.141 -0.427 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.101 -1.166 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.209 0.606 -4.016 1.00 0.00 H new ATOM 1256 N GLY A 85 -10.884 2.698 -3.403 1.00 0.00 N ATOM 1257 CA GLY A 85 -11.633 3.236 -2.282 1.00 0.00 C ATOM 1258 C GLY A 85 -10.757 4.010 -1.317 1.00 0.00 C ATOM 1259 O GLY A 85 -9.749 3.495 -0.834 1.00 0.00 O ATOM 0 H GLY A 85 -11.095 3.125 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.421 3.889 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.121 2.420 -1.750 1.00 0.00 H new ATOM 1263 N SER A 86 -11.142 5.251 -1.036 1.00 0.00 N ATOM 1264 CA SER A 86 -10.381 6.099 -0.127 1.00 0.00 C ATOM 1265 C SER A 86 -11.186 6.405 1.133 1.00 0.00 C ATOM 1266 O SER A 86 -12.385 6.135 1.197 1.00 0.00 O ATOM 1267 CB SER A 86 -9.986 7.404 -0.822 1.00 0.00 C ATOM 1268 OG SER A 86 -11.123 8.210 -1.077 1.00 0.00 O ATOM 0 H SER A 86 -11.976 5.691 -1.425 1.00 0.00 H new ATOM 0 HA SER A 86 -9.478 5.561 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.280 7.952 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.477 7.181 -1.760 1.00 0.00 H new ATOM 0 HG SER A 86 -10.844 9.039 -1.520 1.00 0.00 H new ATOM 1274 N SER A 87 -10.517 6.970 2.133 1.00 0.00 N ATOM 1275 CA SER A 87 -11.168 7.309 3.393 1.00 0.00 C ATOM 1276 C SER A 87 -11.967 8.602 3.260 1.00 0.00 C ATOM 1277 O SER A 87 -11.689 9.430 2.393 1.00 0.00 O ATOM 1278 CB SER A 87 -10.128 7.451 4.506 1.00 0.00 C ATOM 1279 OG SER A 87 -10.749 7.512 5.779 1.00 0.00 O ATOM 0 H SER A 87 -9.525 7.203 2.095 1.00 0.00 H new ATOM 0 HA SER A 87 -11.855 6.502 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.439 6.607 4.474 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.537 8.352 4.343 1.00 0.00 H new ATOM 0 HG SER A 87 -10.063 7.601 6.474 1.00 0.00 H new ATOM 1285 N SER A 88 -12.962 8.766 4.126 1.00 0.00 N ATOM 1286 CA SER A 88 -13.805 9.955 4.105 1.00 0.00 C ATOM 1287 C SER A 88 -14.499 10.154 5.449 1.00 0.00 C ATOM 1288 O SER A 88 -15.260 9.299 5.900 1.00 0.00 O ATOM 1289 CB SER A 88 -14.848 9.847 2.991 1.00 0.00 C ATOM 1290 OG SER A 88 -15.652 8.691 3.157 1.00 0.00 O ATOM 0 H SER A 88 -13.204 8.090 4.851 1.00 0.00 H new ATOM 0 HA SER A 88 -13.167 10.818 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 88 -15.479 10.736 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.349 9.811 2.023 1.00 0.00 H new ATOM 0 HG SER A 88 -15.728 8.480 4.111 1.00 0.00 H new ATOM 1296 N GLY A 89 -14.229 11.290 6.085 1.00 0.00 N ATOM 1297 CA GLY A 89 -14.834 11.582 7.372 1.00 0.00 C ATOM 1298 C GLY A 89 -14.799 13.060 7.707 1.00 0.00 C ATOM 1299 O GLY A 89 -14.053 13.836 7.109 1.00 0.00 O ATOM 0 H GLY A 89 -13.602 12.013 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.868 11.237 7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.313 11.024 8.150 1.00 0.00 H new ATOM 1303 N PRO A 90 -15.621 13.468 8.685 1.00 0.00 N ATOM 1304 CA PRO A 90 -15.700 14.866 9.120 1.00 0.00 C ATOM 1305 C PRO A 90 -14.443 15.316 9.856 1.00 0.00 C ATOM 1306 O PRO A 90 -14.178 16.512 9.978 1.00 0.00 O ATOM 1307 CB PRO A 90 -16.905 14.876 10.064 1.00 0.00 C ATOM 1308 CG PRO A 90 -17.003 13.477 10.567 1.00 0.00 C ATOM 1309 CD PRO A 90 -16.537 12.598 9.440 1.00 0.00 C ATOM 0 HA PRO A 90 -15.796 15.550 8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.761 15.582 10.882 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -17.814 15.174 9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.384 13.337 11.453 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -18.027 13.236 10.852 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -16.031 11.706 9.809 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -17.370 12.260 8.823 1.00 0.00 H new ATOM 1317 N SER A 91 -13.672 14.350 10.345 1.00 0.00 N ATOM 1318 CA SER A 91 -12.443 14.647 11.072 1.00 0.00 C ATOM 1319 C SER A 91 -11.232 14.573 10.147 1.00 0.00 C ATOM 1320 O SER A 91 -11.190 13.758 9.226 1.00 0.00 O ATOM 1321 CB SER A 91 -12.268 13.673 12.239 1.00 0.00 C ATOM 1322 OG SER A 91 -12.035 12.356 11.773 1.00 0.00 O ATOM 0 H SER A 91 -13.877 13.355 10.251 1.00 0.00 H new ATOM 0 HA SER A 91 -12.518 15.662 11.463 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.434 13.994 12.863 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.159 13.688 12.866 1.00 0.00 H new ATOM 0 HG SER A 91 -11.925 11.753 12.538 1.00 0.00 H new ATOM 1328 N SER A 92 -10.249 15.432 10.399 1.00 0.00 N ATOM 1329 CA SER A 92 -9.039 15.467 9.587 1.00 0.00 C ATOM 1330 C SER A 92 -8.419 14.078 9.475 1.00 0.00 C ATOM 1331 O SER A 92 -7.677 13.791 8.536 1.00 0.00 O ATOM 1332 CB SER A 92 -8.025 16.443 10.188 1.00 0.00 C ATOM 1333 OG SER A 92 -7.401 15.890 11.334 1.00 0.00 O ATOM 0 H SER A 92 -10.267 16.112 11.159 1.00 0.00 H new ATOM 0 HA SER A 92 -9.312 15.806 8.587 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.269 16.691 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.526 17.373 10.456 1.00 0.00 H new ATOM 0 HG SER A 92 -6.757 16.533 11.698 1.00 0.00 H new ATOM 1339 N GLY A 93 -8.729 13.218 10.441 1.00 0.00 N ATOM 1340 CA GLY A 93 -8.194 11.869 10.433 1.00 0.00 C ATOM 1341 C GLY A 93 -6.701 11.836 10.690 1.00 0.00 C ATOM 1342 O GLY A 93 -6.044 12.876 10.706 1.00 0.00 O ATOM 0 H GLY A 93 -9.341 13.432 11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.703 11.275 11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.404 11.404 9.470 1.00 0.00 H new TER 1346 GLY A 93