USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 683 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 19 ASN : amide:sc= 0.973 K(o=2.1,f=-1.7) USER MOD Set 1.2: A 31 GLN : amide:sc= 1.12 K(o=2.1,f=-0.66) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 1.03 K(o=-0.035,f=-6.6!) USER MOD Set 2.2: A 33 LYS NZ :NH3+ 172:sc= -1.06! (180deg=-1.41!) USER MOD Single : A 21 LYS NZ :NH3+ -119:sc= 1.28 (180deg=0.0637) USER MOD Single : A 25 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.61) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.21) USER MOD Single : A 37 HIS : no HD1:sc= -0.0683 X(o=-0.068,f=0) USER MOD Single : A 38 THR OG1 : rot -133:sc= -0.645 USER MOD Single : A 41 SER OG : rot 180:sc= -0.789 USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 1.14 (180deg=1.1) USER MOD Single : A 44 MET CE :methyl -176:sc= -0.646 (180deg=-0.67) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -72:sc= 0.304 USER MOD Single : A 51 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.35) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 55 MET CE :methyl 165:sc= -0.0307 (180deg=-0.308) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 68 ASN : amide:sc= 0.556 K(o=0.56,f=-4.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 75 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.73) USER MOD Single : A 78 MET CE :methyl -111:sc= -1.02 (180deg=-1.34) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 89 GLN : amide:sc= -0.503 K(o=-0.5,f=-4.8!) USER MOD Single : A 90 GLN : amide:sc= -0.551 K(o=-0.55,f=-3.4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 11.388 14.302 0.117 1.00 10.00 N ATOM 2 CA ASP A 16 10.113 14.771 0.647 1.00 10.00 C ATOM 3 C ASP A 16 9.197 13.584 0.930 1.00 10.00 C ATOM 4 O ASP A 16 9.508 12.450 0.558 1.00 10.00 O ATOM 5 CB ASP A 16 9.436 15.721 -0.348 1.00 10.00 C ATOM 6 CG ASP A 16 8.666 16.833 0.337 1.00 10.00 C ATOM 7 OD1 ASP A 16 8.191 16.620 1.472 1.00 10.00 O ATOM 8 OD2 ASP A 16 8.549 17.931 -0.250 1.00 10.00 O ATOM 0 HA ASP A 16 10.301 15.310 1.576 1.00 10.00 H new ATOM 0 HB2 ASP A 16 10.193 16.157 -1.000 1.00 10.00 H new ATOM 0 HB3 ASP A 16 8.757 15.152 -0.983 1.00 10.00 H new ATOM 13 N HIS A 17 8.073 13.844 1.575 1.00 10.00 N ATOM 14 CA HIS A 17 7.115 12.798 1.897 1.00 10.00 C ATOM 15 C HIS A 17 5.712 13.236 1.505 1.00 10.00 C ATOM 16 O HIS A 17 5.211 14.257 1.981 1.00 10.00 O ATOM 17 CB HIS A 17 7.168 12.448 3.389 1.00 10.00 C ATOM 18 CG HIS A 17 8.061 11.284 3.703 1.00 10.00 C ATOM 19 ND1 HIS A 17 9.076 11.383 4.629 1.00 10.00 N ATOM 20 CD2 HIS A 17 8.050 10.025 3.193 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.654 10.192 4.665 1.00 10.00 C ATOM 22 NE2 HIS A 17 9.066 9.341 3.814 1.00 10.00 N ATOM 0 H HIS A 17 7.799 14.775 1.888 1.00 10.00 H new ATOM 0 HA HIS A 17 7.378 11.905 1.330 1.00 10.00 H new ATOM 0 HB2 HIS A 17 7.512 13.320 3.946 1.00 10.00 H new ATOM 0 HB3 HIS A 17 6.159 12.225 3.737 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.374 9.638 2.445 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.491 9.940 5.299 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.325 8.367 3.657 1.00 10.00 H new ATOM 30 N ILE A 18 5.086 12.464 0.631 1.00 10.00 N ATOM 31 CA ILE A 18 3.748 12.773 0.169 1.00 10.00 C ATOM 32 C ILE A 18 2.733 11.893 0.895 1.00 10.00 C ATOM 33 O ILE A 18 2.956 10.695 1.091 1.00 10.00 O ATOM 34 CB ILE A 18 3.619 12.603 -1.368 1.00 10.00 C ATOM 35 CG1 ILE A 18 2.230 13.029 -1.844 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.910 11.173 -1.792 1.00 10.00 C ATOM 37 CD1 ILE A 18 2.229 14.330 -2.614 1.00 10.00 C ATOM 0 H ILE A 18 5.487 11.617 0.228 1.00 10.00 H new ATOM 0 HA ILE A 18 3.544 13.819 0.397 1.00 10.00 H new ATOM 0 HB ILE A 18 4.361 13.250 -1.836 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.814 12.243 -2.474 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.573 13.127 -0.980 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.811 11.087 -2.874 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.925 10.906 -1.498 1.00 10.00 H new ATOM 0 HG23 ILE A 18 3.203 10.499 -1.308 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.211 14.571 -2.921 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.615 15.128 -1.980 1.00 10.00 H new ATOM 0 HD13 ILE A 18 2.860 14.231 -3.497 1.00 10.00 H new ATOM 49 N ASN A 19 1.632 12.491 1.317 1.00 10.00 N ATOM 50 CA ASN A 19 0.608 11.748 2.029 1.00 10.00 C ATOM 51 C ASN A 19 -0.647 11.612 1.189 1.00 10.00 C ATOM 52 O ASN A 19 -1.319 12.598 0.884 1.00 10.00 O ATOM 53 CB ASN A 19 0.279 12.415 3.363 1.00 10.00 C ATOM 54 CG ASN A 19 1.292 12.085 4.441 1.00 10.00 C ATOM 55 OD1 ASN A 19 1.223 11.033 5.074 1.00 10.00 O ATOM 56 ND2 ASN A 19 2.230 12.989 4.670 1.00 10.00 N ATOM 0 H ASN A 19 1.426 13.481 1.180 1.00 10.00 H new ATOM 0 HA ASN A 19 1.000 10.751 2.228 1.00 10.00 H new ATOM 0 HB2 ASN A 19 0.238 13.496 3.225 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.711 12.098 3.690 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.930 12.826 5.394 1.00 10.00 H new ATOM 0 HD22 ASN A 19 2.253 13.850 4.123 1.00 10.00 H new ATOM 63 N LEU A 20 -0.947 10.385 0.804 1.00 10.00 N ATOM 64 CA LEU A 20 -2.124 10.100 0.001 1.00 10.00 C ATOM 65 C LEU A 20 -3.226 9.536 0.888 1.00 10.00 C ATOM 66 O LEU A 20 -2.965 9.121 2.018 1.00 10.00 O ATOM 67 CB LEU A 20 -1.776 9.115 -1.116 1.00 10.00 C ATOM 68 CG LEU A 20 -0.605 9.535 -2.007 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.147 8.368 -2.870 1.00 10.00 C ATOM 70 CD2 LEU A 20 -0.990 10.723 -2.875 1.00 10.00 C ATOM 0 H LEU A 20 -0.388 9.564 1.036 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.478 11.024 -0.456 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.544 8.149 -0.668 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.657 8.973 -1.742 1.00 10.00 H new ATOM 0 HG LEU A 20 0.224 9.835 -1.366 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.686 8.684 -3.497 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.172 7.546 -2.230 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -0.971 8.037 -3.502 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.144 11.006 -3.501 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -1.835 10.452 -3.508 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.268 11.563 -2.239 1.00 10.00 H new ATOM 82 N LYS A 21 -4.451 9.526 0.386 1.00 10.00 N ATOM 83 CA LYS A 21 -5.581 9.022 1.156 1.00 10.00 C ATOM 84 C LYS A 21 -6.372 7.994 0.355 1.00 10.00 C ATOM 85 O LYS A 21 -7.112 8.348 -0.562 1.00 10.00 O ATOM 86 CB LYS A 21 -6.500 10.177 1.573 1.00 10.00 C ATOM 87 CG LYS A 21 -5.912 11.070 2.656 1.00 10.00 C ATOM 88 CD LYS A 21 -6.845 12.224 2.993 1.00 10.00 C ATOM 89 CE LYS A 21 -6.368 12.988 4.222 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.264 14.125 4.553 1.00 10.00 N ATOM 0 H LYS A 21 -4.689 9.860 -0.548 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.189 8.537 2.050 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -6.725 10.785 0.696 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.446 9.767 1.927 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -5.722 10.480 3.553 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -4.951 11.463 2.324 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -6.907 12.903 2.143 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -7.850 11.841 3.169 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -6.315 12.309 5.073 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.359 13.361 4.048 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -6.729 15.015 4.499 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -8.053 14.154 3.876 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -7.638 14.003 5.516 1.00 10.00 H new ATOM 104 N VAL A 22 -6.201 6.723 0.689 1.00 10.00 N ATOM 105 CA VAL A 22 -6.926 5.658 0.009 1.00 10.00 C ATOM 106 C VAL A 22 -8.263 5.434 0.709 1.00 10.00 C ATOM 107 O VAL A 22 -8.314 5.309 1.937 1.00 10.00 O ATOM 108 CB VAL A 22 -6.114 4.342 -0.026 1.00 10.00 C ATOM 109 CG1 VAL A 22 -6.949 3.192 -0.568 1.00 10.00 C ATOM 110 CG2 VAL A 22 -4.857 4.523 -0.863 1.00 10.00 C ATOM 0 H VAL A 22 -5.569 6.404 1.424 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.093 5.963 -1.024 1.00 10.00 H new ATOM 0 HB VAL A 22 -5.828 4.095 0.996 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -6.350 2.281 -0.580 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -7.821 3.044 0.069 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.275 3.425 -1.582 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.294 3.590 -0.880 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.134 4.798 -1.881 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.241 5.311 -0.429 1.00 10.00 H new ATOM 120 N ALA A 23 -9.337 5.392 -0.067 1.00 10.00 N ATOM 121 CA ALA A 23 -10.666 5.218 0.492 1.00 10.00 C ATOM 122 C ALA A 23 -11.347 3.956 -0.021 1.00 10.00 C ATOM 123 O ALA A 23 -11.206 3.584 -1.188 1.00 10.00 O ATOM 124 CB ALA A 23 -11.523 6.434 0.178 1.00 10.00 C ATOM 0 H ALA A 23 -9.312 5.476 -1.083 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.555 5.112 1.571 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.518 6.296 0.600 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.065 7.323 0.611 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.601 6.555 -0.902 1.00 10.00 H new ATOM 130 N GLY A 24 -12.083 3.305 0.866 1.00 10.00 N ATOM 131 CA GLY A 24 -12.815 2.108 0.505 1.00 10.00 C ATOM 132 C GLY A 24 -14.300 2.396 0.426 1.00 10.00 C ATOM 133 O GLY A 24 -14.755 3.428 0.921 1.00 10.00 O ATOM 0 H GLY A 24 -12.187 3.588 1.840 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.460 1.734 -0.455 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.629 1.326 1.241 1.00 10.00 H new ATOM 137 N GLN A 25 -15.064 1.488 -0.163 1.00 10.00 N ATOM 138 CA GLN A 25 -16.506 1.681 -0.304 1.00 10.00 C ATOM 139 C GLN A 25 -17.238 1.498 1.024 1.00 10.00 C ATOM 140 O GLN A 25 -18.456 1.659 1.095 1.00 10.00 O ATOM 141 CB GLN A 25 -17.074 0.719 -1.348 1.00 10.00 C ATOM 142 CG GLN A 25 -16.699 1.082 -2.773 1.00 10.00 C ATOM 143 CD GLN A 25 -17.169 2.467 -3.160 1.00 10.00 C ATOM 144 OE1 GLN A 25 -18.227 2.925 -2.724 1.00 10.00 O ATOM 145 NE2 GLN A 25 -16.382 3.141 -3.978 1.00 10.00 N ATOM 0 H GLN A 25 -14.714 0.612 -0.551 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.664 2.708 -0.634 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.719 -0.289 -1.133 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -18.160 0.700 -1.260 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -15.616 1.024 -2.887 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -17.131 0.351 -3.457 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -15.515 2.721 -4.313 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -16.641 4.082 -4.275 1.00 10.00 H new ATOM 154 N ASP A 26 -16.498 1.157 2.068 1.00 10.00 N ATOM 155 CA ASP A 26 -17.081 0.967 3.391 1.00 10.00 C ATOM 156 C ASP A 26 -16.941 2.233 4.232 1.00 10.00 C ATOM 157 O ASP A 26 -17.772 2.507 5.091 1.00 10.00 O ATOM 158 CB ASP A 26 -16.416 -0.208 4.109 1.00 10.00 C ATOM 159 CG ASP A 26 -14.951 0.047 4.384 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.168 0.103 3.417 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.577 0.210 5.561 1.00 10.00 O ATOM 0 H ASP A 26 -15.490 1.005 2.026 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.141 0.748 3.261 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.933 -0.397 5.050 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.519 -1.108 3.503 1.00 10.00 H new ATOM 166 N GLY A 27 -15.888 3.004 3.984 1.00 10.00 N ATOM 167 CA GLY A 27 -15.683 4.230 4.738 1.00 10.00 C ATOM 168 C GLY A 27 -14.318 4.299 5.395 1.00 10.00 C ATOM 169 O GLY A 27 -13.921 5.352 5.900 1.00 10.00 O ATOM 0 H GLY A 27 -15.177 2.806 3.280 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -15.803 5.084 4.072 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.454 4.312 5.504 1.00 10.00 H new ATOM 173 N SER A 28 -13.600 3.183 5.403 1.00 10.00 N ATOM 174 CA SER A 28 -12.269 3.135 5.994 1.00 10.00 C ATOM 175 C SER A 28 -11.315 4.047 5.221 1.00 10.00 C ATOM 176 O SER A 28 -11.488 4.264 4.016 1.00 10.00 O ATOM 177 CB SER A 28 -11.745 1.698 5.986 1.00 10.00 C ATOM 178 OG SER A 28 -11.945 1.086 4.723 1.00 10.00 O ATOM 0 H SER A 28 -13.917 2.298 5.007 1.00 10.00 H new ATOM 0 HA SER A 28 -12.328 3.484 7.025 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.683 1.694 6.231 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.252 1.119 6.758 1.00 10.00 H new ATOM 0 HG SER A 28 -11.600 0.169 4.745 1.00 10.00 H new ATOM 184 N VAL A 29 -10.329 4.593 5.915 1.00 10.00 N ATOM 185 CA VAL A 29 -9.351 5.473 5.292 1.00 10.00 C ATOM 186 C VAL A 29 -7.946 5.125 5.773 1.00 10.00 C ATOM 187 O VAL A 29 -7.692 5.031 6.976 1.00 10.00 O ATOM 188 CB VAL A 29 -9.659 6.965 5.580 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.700 7.245 7.076 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.649 7.873 4.889 1.00 10.00 C ATOM 0 H VAL A 29 -10.184 4.442 6.913 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.410 5.323 4.214 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.647 7.181 5.173 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -9.918 8.300 7.243 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.477 6.636 7.539 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.735 7.000 7.519 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -8.887 8.914 5.107 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.647 7.646 5.253 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.689 7.709 3.812 1.00 10.00 H new ATOM 200 N VAL A 30 -7.043 4.898 4.833 1.00 10.00 N ATOM 201 CA VAL A 30 -5.672 4.570 5.177 1.00 10.00 C ATOM 202 C VAL A 30 -4.725 5.634 4.637 1.00 10.00 C ATOM 203 O VAL A 30 -4.624 5.836 3.422 1.00 10.00 O ATOM 204 CB VAL A 30 -5.232 3.182 4.650 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.055 2.657 5.466 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.388 2.188 4.680 1.00 10.00 C ATOM 0 H VAL A 30 -7.234 4.935 3.832 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.626 4.537 6.266 1.00 10.00 H new ATOM 0 HB VAL A 30 -4.918 3.298 3.613 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -3.755 1.681 5.086 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.218 3.351 5.385 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.350 2.564 6.511 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.048 1.223 4.304 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.743 2.074 5.704 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.200 2.556 4.053 1.00 10.00 H new ATOM 216 N GLN A 31 -4.067 6.327 5.554 1.00 10.00 N ATOM 217 CA GLN A 31 -3.103 7.363 5.213 1.00 10.00 C ATOM 218 C GLN A 31 -1.897 6.713 4.557 1.00 10.00 C ATOM 219 O GLN A 31 -1.271 5.839 5.149 1.00 10.00 O ATOM 220 CB GLN A 31 -2.680 8.111 6.481 1.00 10.00 C ATOM 221 CG GLN A 31 -1.739 9.280 6.234 1.00 10.00 C ATOM 222 CD GLN A 31 -1.152 9.827 7.522 1.00 10.00 C ATOM 223 OE1 GLN A 31 -1.738 9.686 8.596 1.00 10.00 O ATOM 224 NE2 GLN A 31 0.006 10.458 7.424 1.00 10.00 N ATOM 0 H GLN A 31 -4.186 6.187 6.557 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.550 8.077 4.522 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.573 8.479 6.986 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.197 7.408 7.159 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -0.931 8.961 5.576 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.277 10.074 5.716 1.00 10.00 H new ATOM 0 HE21 GLN A 31 0.459 10.554 6.515 1.00 10.00 H new ATOM 0 HE22 GLN A 31 0.446 10.849 8.257 1.00 10.00 H new ATOM 233 N PHE A 32 -1.580 7.124 3.342 1.00 10.00 N ATOM 234 CA PHE A 32 -0.459 6.540 2.621 1.00 10.00 C ATOM 235 C PHE A 32 0.765 7.446 2.644 1.00 10.00 C ATOM 236 O PHE A 32 0.840 8.421 1.895 1.00 10.00 O ATOM 237 CB PHE A 32 -0.858 6.242 1.171 1.00 10.00 C ATOM 238 CG PHE A 32 -0.746 4.789 0.803 1.00 10.00 C ATOM 239 CD1 PHE A 32 -1.869 3.977 0.767 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.484 4.232 0.500 1.00 10.00 C ATOM 241 CE1 PHE A 32 -1.762 2.637 0.436 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.594 2.894 0.170 1.00 10.00 C ATOM 243 CZ PHE A 32 -0.531 2.097 0.138 1.00 10.00 C ATOM 0 H PHE A 32 -2.078 7.855 2.835 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.196 5.610 3.126 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.885 6.571 1.011 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.228 6.827 0.502 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.838 4.394 1.000 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.369 4.850 0.522 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -2.645 2.015 0.412 1.00 10.00 H new ATOM 0 HE2 PHE A 32 1.561 2.473 -0.063 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.447 1.052 -0.120 1.00 10.00 H new ATOM 253 N LYS A 33 1.712 7.128 3.519 1.00 10.00 N ATOM 254 CA LYS A 33 2.947 7.895 3.620 1.00 10.00 C ATOM 255 C LYS A 33 4.004 7.268 2.719 1.00 10.00 C ATOM 256 O LYS A 33 4.546 6.203 3.027 1.00 10.00 O ATOM 257 CB LYS A 33 3.466 7.951 5.065 1.00 10.00 C ATOM 258 CG LYS A 33 4.930 8.374 5.158 1.00 10.00 C ATOM 259 CD LYS A 33 5.455 8.337 6.581 1.00 10.00 C ATOM 260 CE LYS A 33 6.975 8.440 6.608 1.00 10.00 C ATOM 261 NZ LYS A 33 7.626 7.239 6.013 1.00 10.00 N ATOM 0 H LYS A 33 1.648 6.344 4.169 1.00 10.00 H new ATOM 0 HA LYS A 33 2.738 8.917 3.303 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.855 8.649 5.638 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.347 6.970 5.526 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.535 7.717 4.533 1.00 10.00 H new ATOM 0 HG3 LYS A 33 5.040 9.383 4.760 1.00 10.00 H new ATOM 0 HD2 LYS A 33 5.022 9.157 7.153 1.00 10.00 H new ATOM 0 HD3 LYS A 33 5.142 7.411 7.064 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.288 9.330 6.062 1.00 10.00 H new ATOM 0 HE3 LYS A 33 7.312 8.563 7.637 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 8.649 7.406 5.927 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 7.460 6.415 6.625 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 7.224 7.057 5.071 1.00 10.00 H new ATOM 275 N ILE A 34 4.264 7.906 1.590 1.00 10.00 N ATOM 276 CA ILE A 34 5.251 7.416 0.639 1.00 10.00 C ATOM 277 C ILE A 34 6.060 8.601 0.101 1.00 10.00 C ATOM 278 O ILE A 34 5.756 9.749 0.424 1.00 10.00 O ATOM 279 CB ILE A 34 4.575 6.619 -0.528 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.465 7.456 -1.804 1.00 10.00 C ATOM 281 CG2 ILE A 34 3.190 6.134 -0.120 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.716 6.773 -2.932 1.00 10.00 C ATOM 0 H ILE A 34 3.802 8.770 1.307 1.00 10.00 H new ATOM 0 HA ILE A 34 5.921 6.724 1.149 1.00 10.00 H new ATOM 0 HB ILE A 34 5.214 5.761 -0.736 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.965 8.395 -1.567 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.468 7.707 -2.148 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.740 5.583 -0.946 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.274 5.481 0.749 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.563 6.990 0.130 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.683 7.433 -3.799 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.226 5.848 -3.200 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.700 6.547 -2.609 1.00 10.00 H new ATOM 294 N LYS A 35 7.097 8.342 -0.680 1.00 10.00 N ATOM 295 CA LYS A 35 7.898 9.422 -1.243 1.00 10.00 C ATOM 296 C LYS A 35 7.433 9.721 -2.667 1.00 10.00 C ATOM 297 O LYS A 35 6.620 8.990 -3.229 1.00 10.00 O ATOM 298 CB LYS A 35 9.389 9.079 -1.216 1.00 10.00 C ATOM 299 CG LYS A 35 9.973 9.021 0.186 1.00 10.00 C ATOM 300 CD LYS A 35 11.467 9.290 0.171 1.00 10.00 C ATOM 301 CE LYS A 35 12.028 9.419 1.579 1.00 10.00 C ATOM 302 NZ LYS A 35 12.147 8.103 2.259 1.00 10.00 N ATOM 0 H LYS A 35 7.403 7.404 -0.938 1.00 10.00 H new ATOM 0 HA LYS A 35 7.758 10.313 -0.631 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.541 8.116 -1.704 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.935 9.821 -1.798 1.00 10.00 H new ATOM 0 HG2 LYS A 35 9.475 9.754 0.821 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.782 8.040 0.622 1.00 10.00 H new ATOM 0 HD2 LYS A 35 11.977 8.481 -0.352 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.667 10.205 -0.386 1.00 10.00 H new ATOM 0 HE2 LYS A 35 13.008 9.893 1.536 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.383 10.073 2.167 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 12.656 8.222 3.158 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 11.198 7.722 2.447 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 12.670 7.443 1.649 1.00 10.00 H new ATOM 316 N ARG A 36 7.959 10.778 -3.266 1.00 10.00 N ATOM 317 CA ARG A 36 7.545 11.161 -4.613 1.00 10.00 C ATOM 318 C ARG A 36 8.151 10.242 -5.674 1.00 10.00 C ATOM 319 O ARG A 36 7.680 10.203 -6.811 1.00 10.00 O ATOM 320 CB ARG A 36 7.905 12.622 -4.897 1.00 10.00 C ATOM 321 CG ARG A 36 7.432 13.580 -3.813 1.00 10.00 C ATOM 322 CD ARG A 36 7.107 14.959 -4.369 1.00 10.00 C ATOM 323 NE ARG A 36 5.852 14.969 -5.120 1.00 10.00 N ATOM 324 CZ ARG A 36 4.866 15.846 -4.923 1.00 10.00 C ATOM 325 NH1 ARG A 36 4.979 16.796 -4.000 1.00 10.00 N ATOM 326 NH2 ARG A 36 3.763 15.772 -5.658 1.00 10.00 N ATOM 0 H ARG A 36 8.667 11.383 -2.849 1.00 10.00 H new ATOM 0 HA ARG A 36 6.462 11.054 -4.664 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.986 12.709 -5.002 1.00 10.00 H new ATOM 0 HB3 ARG A 36 7.467 12.918 -5.850 1.00 10.00 H new ATOM 0 HG2 ARG A 36 6.548 13.168 -3.327 1.00 10.00 H new ATOM 0 HG3 ARG A 36 8.203 13.671 -3.048 1.00 10.00 H new ATOM 0 HD2 ARG A 36 7.044 15.674 -3.549 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.919 15.288 -5.017 1.00 10.00 H new ATOM 0 HE ARG A 36 5.722 14.259 -5.841 1.00 10.00 H new ATOM 0 HH11 ARG A 36 5.825 16.859 -3.434 1.00 10.00 H new ATOM 0 HH12 ARG A 36 4.219 17.462 -3.857 1.00 10.00 H new ATOM 0 HH21 ARG A 36 3.672 15.047 -6.370 1.00 10.00 H new ATOM 0 HH22 ARG A 36 3.006 16.440 -5.511 1.00 10.00 H new ATOM 340 N HIS A 37 9.182 9.493 -5.303 1.00 10.00 N ATOM 341 CA HIS A 37 9.824 8.578 -6.240 1.00 10.00 C ATOM 342 C HIS A 37 9.444 7.129 -5.936 1.00 10.00 C ATOM 343 O HIS A 37 9.993 6.194 -6.519 1.00 10.00 O ATOM 344 CB HIS A 37 11.355 8.764 -6.233 1.00 10.00 C ATOM 345 CG HIS A 37 12.075 8.148 -5.061 1.00 10.00 C ATOM 346 ND1 HIS A 37 13.120 7.268 -5.244 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.889 8.339 -3.730 1.00 10.00 C ATOM 348 CE1 HIS A 37 13.539 6.945 -4.031 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.822 7.565 -3.087 1.00 10.00 N ATOM 0 H HIS A 37 9.589 9.500 -4.368 1.00 10.00 H new ATOM 0 HA HIS A 37 9.464 8.815 -7.241 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.760 8.338 -7.151 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.575 9.831 -6.252 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.150 8.976 -3.267 1.00 10.00 H new ATOM 0 HE1 HIS A 37 14.355 6.267 -3.829 1.00 10.00 H new ATOM 0 HE2 HIS A 37 12.946 7.479 -2.078 1.00 10.00 H new ATOM 357 N THR A 38 8.496 6.952 -5.029 1.00 10.00 N ATOM 358 CA THR A 38 8.044 5.625 -4.652 1.00 10.00 C ATOM 359 C THR A 38 6.970 5.123 -5.618 1.00 10.00 C ATOM 360 O THR A 38 5.948 5.783 -5.805 1.00 10.00 O ATOM 361 CB THR A 38 7.478 5.628 -3.225 1.00 10.00 C ATOM 362 OG1 THR A 38 8.318 6.412 -2.370 1.00 10.00 O ATOM 363 CG2 THR A 38 7.375 4.217 -2.676 1.00 10.00 C ATOM 0 H THR A 38 8.025 7.713 -4.540 1.00 10.00 H new ATOM 0 HA THR A 38 8.905 4.958 -4.695 1.00 10.00 H new ATOM 0 HB THR A 38 6.478 6.061 -3.258 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.493 5.919 -1.541 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.971 4.249 -1.664 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.715 3.627 -3.312 1.00 10.00 H new ATOM 0 HG23 THR A 38 8.365 3.761 -2.658 1.00 10.00 H new ATOM 371 N PRO A 39 7.189 3.959 -6.254 1.00 10.00 N ATOM 372 CA PRO A 39 6.225 3.381 -7.197 1.00 10.00 C ATOM 373 C PRO A 39 4.899 3.034 -6.526 1.00 10.00 C ATOM 374 O PRO A 39 4.861 2.666 -5.349 1.00 10.00 O ATOM 375 CB PRO A 39 6.916 2.108 -7.703 1.00 10.00 C ATOM 376 CG PRO A 39 8.354 2.266 -7.347 1.00 10.00 C ATOM 377 CD PRO A 39 8.390 3.118 -6.114 1.00 10.00 C ATOM 0 HA PRO A 39 5.973 4.082 -7.993 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.492 1.219 -7.236 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.789 1.994 -8.780 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.818 1.297 -7.164 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.907 2.736 -8.161 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.357 2.515 -5.206 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.299 3.718 -6.065 1.00 10.00 H new ATOM 385 N LEU A 40 3.812 3.130 -7.285 1.00 10.00 N ATOM 386 CA LEU A 40 2.483 2.844 -6.758 1.00 10.00 C ATOM 387 C LEU A 40 2.211 1.341 -6.721 1.00 10.00 C ATOM 388 O LEU A 40 1.145 0.905 -6.280 1.00 10.00 O ATOM 389 CB LEU A 40 1.413 3.551 -7.594 1.00 10.00 C ATOM 390 CG LEU A 40 1.455 5.080 -7.555 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.386 5.666 -8.462 1.00 10.00 C ATOM 392 CD2 LEU A 40 1.276 5.583 -6.129 1.00 10.00 C ATOM 0 H LEU A 40 3.826 3.404 -8.267 1.00 10.00 H new ATOM 0 HA LEU A 40 2.443 3.221 -5.736 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.513 3.228 -8.630 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.432 3.222 -7.251 1.00 10.00 H new ATOM 0 HG LEU A 40 2.431 5.406 -7.916 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.431 6.754 -8.421 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.556 5.334 -9.486 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.597 5.331 -8.130 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.309 6.672 -6.121 1.00 10.00 H new ATOM 0 HD22 LEU A 40 0.314 5.246 -5.742 1.00 10.00 H new ATOM 0 HD23 LEU A 40 2.077 5.191 -5.502 1.00 10.00 H new ATOM 404 N SER A 41 3.174 0.556 -7.187 1.00 10.00 N ATOM 405 CA SER A 41 3.043 -0.893 -7.193 1.00 10.00 C ATOM 406 C SER A 41 2.904 -1.417 -5.764 1.00 10.00 C ATOM 407 O SER A 41 2.015 -2.219 -5.465 1.00 10.00 O ATOM 408 CB SER A 41 4.259 -1.516 -7.876 1.00 10.00 C ATOM 409 OG SER A 41 5.403 -0.694 -7.709 1.00 10.00 O ATOM 0 H SER A 41 4.056 0.901 -7.566 1.00 10.00 H new ATOM 0 HA SER A 41 2.146 -1.170 -7.748 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.451 -2.504 -7.458 1.00 10.00 H new ATOM 0 HB3 SER A 41 4.055 -1.653 -8.938 1.00 10.00 H new ATOM 0 HG SER A 41 6.172 -1.110 -8.152 1.00 10.00 H new ATOM 415 N LYS A 42 3.777 -0.932 -4.880 1.00 10.00 N ATOM 416 CA LYS A 42 3.753 -1.335 -3.478 1.00 10.00 C ATOM 417 C LYS A 42 2.487 -0.822 -2.808 1.00 10.00 C ATOM 418 O LYS A 42 1.984 -1.431 -1.873 1.00 10.00 O ATOM 419 CB LYS A 42 4.983 -0.818 -2.713 1.00 10.00 C ATOM 420 CG LYS A 42 5.923 0.060 -3.529 1.00 10.00 C ATOM 421 CD LYS A 42 6.943 0.771 -2.643 1.00 10.00 C ATOM 422 CE LYS A 42 7.780 -0.208 -1.833 1.00 10.00 C ATOM 423 NZ LYS A 42 8.625 -1.074 -2.698 1.00 10.00 N ATOM 0 H LYS A 42 4.508 -0.260 -5.112 1.00 10.00 H new ATOM 0 HA LYS A 42 3.771 -2.425 -3.451 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.642 -0.252 -1.846 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.544 -1.673 -2.336 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.444 -0.551 -4.266 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.343 0.799 -4.081 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.599 1.381 -3.264 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.424 1.450 -1.966 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.417 0.345 -1.143 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.122 -0.832 -1.229 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.152 -1.747 -2.106 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.020 -1.597 -3.362 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.295 -0.484 -3.231 1.00 10.00 H new ATOM 437 N LEU A 43 1.972 0.291 -3.313 1.00 10.00 N ATOM 438 CA LEU A 43 0.767 0.899 -2.769 1.00 10.00 C ATOM 439 C LEU A 43 -0.423 -0.048 -2.900 1.00 10.00 C ATOM 440 O LEU A 43 -1.214 -0.206 -1.969 1.00 10.00 O ATOM 441 CB LEU A 43 0.492 2.231 -3.487 1.00 10.00 C ATOM 442 CG LEU A 43 -0.853 2.889 -3.177 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.678 4.382 -2.945 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.844 2.644 -4.306 1.00 10.00 C ATOM 0 H LEU A 43 2.374 0.794 -4.104 1.00 10.00 H new ATOM 0 HA LEU A 43 0.916 1.096 -1.707 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.286 2.932 -3.229 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.553 2.062 -4.562 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.248 2.440 -2.266 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.646 4.832 -2.726 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -0.004 4.543 -2.103 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.258 4.842 -3.839 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.794 3.120 -4.066 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.452 3.064 -5.232 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.997 1.572 -4.430 1.00 10.00 H new ATOM 456 N MET A 44 -0.528 -0.697 -4.048 1.00 10.00 N ATOM 457 CA MET A 44 -1.625 -1.621 -4.304 1.00 10.00 C ATOM 458 C MET A 44 -1.437 -2.935 -3.548 1.00 10.00 C ATOM 459 O MET A 44 -2.385 -3.468 -2.972 1.00 10.00 O ATOM 460 CB MET A 44 -1.745 -1.894 -5.804 1.00 10.00 C ATOM 461 CG MET A 44 -2.131 -0.667 -6.616 1.00 10.00 C ATOM 462 SD MET A 44 -2.318 -1.027 -8.373 1.00 10.00 S ATOM 463 CE MET A 44 -0.627 -1.423 -8.822 1.00 10.00 C ATOM 0 H MET A 44 0.133 -0.602 -4.819 1.00 10.00 H new ATOM 0 HA MET A 44 -2.543 -1.155 -3.947 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.794 -2.279 -6.172 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.489 -2.675 -5.965 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.066 -0.261 -6.231 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.371 0.104 -6.486 1.00 10.00 H new ATOM 0 HE1 MET A 44 -0.567 -1.599 -9.896 1.00 10.00 H new ATOM 0 HE2 MET A 44 0.025 -0.592 -8.554 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.310 -2.319 -8.289 1.00 10.00 H new ATOM 473 N LYS A 45 -0.208 -3.433 -3.529 1.00 10.00 N ATOM 474 CA LYS A 45 0.096 -4.696 -2.862 1.00 10.00 C ATOM 475 C LYS A 45 0.035 -4.579 -1.341 1.00 10.00 C ATOM 476 O LYS A 45 -0.510 -5.458 -0.678 1.00 10.00 O ATOM 477 CB LYS A 45 1.469 -5.212 -3.295 1.00 10.00 C ATOM 478 CG LYS A 45 1.543 -5.567 -4.774 1.00 10.00 C ATOM 479 CD LYS A 45 2.669 -6.548 -5.064 1.00 10.00 C ATOM 480 CE LYS A 45 4.032 -5.962 -4.734 1.00 10.00 C ATOM 481 NZ LYS A 45 5.138 -6.849 -5.177 1.00 10.00 N ATOM 0 H LYS A 45 0.596 -2.983 -3.967 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.671 -5.409 -3.165 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.220 -4.454 -3.073 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.721 -6.093 -2.704 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.594 -5.999 -5.092 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.692 -4.659 -5.359 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.515 -7.458 -4.484 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.641 -6.832 -6.116 1.00 10.00 H new ATOM 0 HE2 LYS A 45 4.134 -4.988 -5.212 1.00 10.00 H new ATOM 0 HE3 LYS A 45 4.106 -5.798 -3.659 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 6.051 -6.414 -4.934 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.056 -7.770 -4.701 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 5.083 -6.985 -6.207 1.00 10.00 H new ATOM 495 N ALA A 46 0.581 -3.496 -0.790 1.00 10.00 N ATOM 496 CA ALA A 46 0.583 -3.294 0.660 1.00 10.00 C ATOM 497 C ALA A 46 -0.835 -3.275 1.213 1.00 10.00 C ATOM 498 O ALA A 46 -1.126 -3.923 2.222 1.00 10.00 O ATOM 499 CB ALA A 46 1.312 -2.009 1.030 1.00 10.00 C ATOM 0 H ALA A 46 1.026 -2.748 -1.322 1.00 10.00 H new ATOM 0 HA ALA A 46 1.114 -4.133 1.109 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.299 -1.882 2.113 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.344 -2.063 0.683 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.815 -1.160 0.559 1.00 10.00 H new ATOM 505 N TYR A 47 -1.713 -2.537 0.546 1.00 10.00 N ATOM 506 CA TYR A 47 -3.105 -2.444 0.959 1.00 10.00 C ATOM 507 C TYR A 47 -3.799 -3.789 0.771 1.00 10.00 C ATOM 508 O TYR A 47 -4.618 -4.199 1.595 1.00 10.00 O ATOM 509 CB TYR A 47 -3.819 -1.348 0.160 1.00 10.00 C ATOM 510 CG TYR A 47 -5.332 -1.407 0.228 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.068 -1.943 -0.822 1.00 10.00 C ATOM 512 CD2 TYR A 47 -6.023 -0.927 1.335 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.446 -1.998 -0.772 1.00 10.00 C ATOM 514 CE2 TYR A 47 -7.404 -0.978 1.391 1.00 10.00 C ATOM 515 CZ TYR A 47 -8.108 -1.515 0.336 1.00 10.00 C ATOM 516 OH TYR A 47 -9.481 -1.563 0.386 1.00 10.00 O ATOM 0 H TYR A 47 -1.484 -1.993 -0.286 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.146 -2.181 2.016 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.489 -0.376 0.526 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.512 -1.417 -0.883 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.553 -2.323 -1.692 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -5.473 -0.508 2.164 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.003 -2.417 -1.597 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.927 -0.599 2.257 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.791 -1.184 1.235 1.00 10.00 H new ATOM 526 N CYS A 48 -3.447 -4.477 -0.306 1.00 10.00 N ATOM 527 CA CYS A 48 -4.021 -5.779 -0.605 1.00 10.00 C ATOM 528 C CYS A 48 -3.678 -6.777 0.495 1.00 10.00 C ATOM 529 O CYS A 48 -4.531 -7.547 0.935 1.00 10.00 O ATOM 530 CB CYS A 48 -3.510 -6.278 -1.956 1.00 10.00 C ATOM 531 SG CYS A 48 -4.537 -7.560 -2.700 1.00 10.00 S ATOM 0 H CYS A 48 -2.763 -4.152 -0.990 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.106 -5.682 -0.654 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.446 -5.434 -2.643 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.499 -6.664 -1.830 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.388 -8.671 -2.042 1.00 10.00 H new ATOM 537 N GLU A 49 -2.428 -6.752 0.942 1.00 10.00 N ATOM 538 CA GLU A 49 -1.972 -7.643 2.004 1.00 10.00 C ATOM 539 C GLU A 49 -2.630 -7.274 3.329 1.00 10.00 C ATOM 540 O GLU A 49 -2.962 -8.143 4.135 1.00 10.00 O ATOM 541 CB GLU A 49 -0.450 -7.567 2.150 1.00 10.00 C ATOM 542 CG GLU A 49 0.317 -8.108 0.956 1.00 10.00 C ATOM 543 CD GLU A 49 0.089 -9.589 0.740 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.464 -10.390 1.622 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.451 -9.963 -0.322 1.00 10.00 O ATOM 0 H GLU A 49 -1.709 -6.122 0.585 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.254 -8.661 1.737 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.163 -6.528 2.312 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.153 -8.122 3.040 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.018 -7.564 0.060 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.382 -7.925 1.100 1.00 10.00 H new ATOM 552 N ARG A 50 -2.816 -5.974 3.543 1.00 10.00 N ATOM 553 CA ARG A 50 -3.433 -5.470 4.765 1.00 10.00 C ATOM 554 C ARG A 50 -4.862 -5.984 4.904 1.00 10.00 C ATOM 555 O ARG A 50 -5.312 -6.311 6.000 1.00 10.00 O ATOM 556 CB ARG A 50 -3.434 -3.941 4.770 1.00 10.00 C ATOM 557 CG ARG A 50 -2.821 -3.332 6.020 1.00 10.00 C ATOM 558 CD ARG A 50 -3.113 -1.843 6.102 1.00 10.00 C ATOM 559 NE ARG A 50 -2.373 -1.192 7.182 1.00 10.00 N ATOM 560 CZ ARG A 50 -2.909 -0.831 8.350 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.191 -1.062 8.601 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.160 -0.226 9.264 1.00 10.00 N ATOM 0 H ARG A 50 -2.546 -5.247 2.881 1.00 10.00 H new ATOM 0 HA ARG A 50 -2.847 -5.831 5.610 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -2.887 -3.584 3.897 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.460 -3.587 4.670 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -3.216 -3.833 6.904 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.743 -3.495 6.017 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.857 -1.372 5.153 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.182 -1.692 6.254 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.382 -1.001 7.033 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -4.774 -1.518 7.899 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -4.594 -0.783 9.496 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.176 -0.037 9.073 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -2.569 0.050 10.157 1.00 10.00 H new ATOM 576 N GLN A 51 -5.571 -6.052 3.784 1.00 10.00 N ATOM 577 CA GLN A 51 -6.948 -6.531 3.782 1.00 10.00 C ATOM 578 C GLN A 51 -6.983 -8.053 3.692 1.00 10.00 C ATOM 579 O GLN A 51 -7.940 -8.689 4.129 1.00 10.00 O ATOM 580 CB GLN A 51 -7.724 -5.911 2.620 1.00 10.00 C ATOM 581 CG GLN A 51 -7.902 -4.406 2.743 1.00 10.00 C ATOM 582 CD GLN A 51 -8.573 -4.007 4.043 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.908 -3.743 5.047 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.893 -3.957 4.034 1.00 10.00 N ATOM 0 H GLN A 51 -5.216 -5.782 2.867 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.421 -6.229 4.717 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.205 -6.132 1.688 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.706 -6.381 2.557 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.928 -3.921 2.676 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.497 -4.044 1.904 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.406 -4.183 3.182 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.399 -3.692 4.879 1.00 10.00 H new ATOM 593 N GLY A 52 -5.931 -8.627 3.129 1.00 10.00 N ATOM 594 CA GLY A 52 -5.852 -10.067 2.995 1.00 10.00 C ATOM 595 C GLY A 52 -6.601 -10.570 1.779 1.00 10.00 C ATOM 596 O GLY A 52 -7.303 -11.579 1.845 1.00 10.00 O ATOM 0 H GLY A 52 -5.127 -8.119 2.761 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.806 -10.367 2.925 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.259 -10.536 3.890 1.00 10.00 H new ATOM 600 N LEU A 53 -6.456 -9.864 0.666 1.00 10.00 N ATOM 601 CA LEU A 53 -7.138 -10.238 -0.564 1.00 10.00 C ATOM 602 C LEU A 53 -6.142 -10.396 -1.706 1.00 10.00 C ATOM 603 O LEU A 53 -4.928 -10.316 -1.507 1.00 10.00 O ATOM 604 CB LEU A 53 -8.180 -9.177 -0.939 1.00 10.00 C ATOM 605 CG LEU A 53 -9.056 -8.678 0.214 1.00 10.00 C ATOM 606 CD1 LEU A 53 -9.859 -7.460 -0.216 1.00 10.00 C ATOM 607 CD2 LEU A 53 -9.982 -9.780 0.705 1.00 10.00 C ATOM 0 H LEU A 53 -5.873 -9.030 0.590 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.638 -11.192 -0.396 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.662 -8.323 -1.375 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.828 -9.587 -1.714 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.403 -8.390 1.038 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -10.476 -7.119 0.615 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.179 -6.662 -0.514 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.499 -7.725 -1.058 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.594 -9.403 1.524 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.627 -10.104 -0.112 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.389 -10.625 1.055 1.00 10.00 H new ATOM 619 N SER A 54 -6.665 -10.623 -2.901 1.00 10.00 N ATOM 620 CA SER A 54 -5.838 -10.770 -4.086 1.00 10.00 C ATOM 621 C SER A 54 -5.966 -9.522 -4.950 1.00 10.00 C ATOM 622 O SER A 54 -7.065 -8.984 -5.107 1.00 10.00 O ATOM 623 CB SER A 54 -6.255 -12.011 -4.882 1.00 10.00 C ATOM 624 OG SER A 54 -5.583 -12.063 -6.128 1.00 10.00 O ATOM 0 H SER A 54 -7.666 -10.710 -3.075 1.00 10.00 H new ATOM 0 HA SER A 54 -4.799 -10.894 -3.782 1.00 10.00 H new ATOM 0 HB2 SER A 54 -6.031 -12.909 -4.306 1.00 10.00 H new ATOM 0 HB3 SER A 54 -7.333 -11.997 -5.046 1.00 10.00 H new ATOM 0 HG SER A 54 -5.864 -12.864 -6.618 1.00 10.00 H new ATOM 630 N MET A 55 -4.850 -9.066 -5.507 1.00 10.00 N ATOM 631 CA MET A 55 -4.850 -7.871 -6.347 1.00 10.00 C ATOM 632 C MET A 55 -5.677 -8.084 -7.616 1.00 10.00 C ATOM 633 O MET A 55 -6.070 -7.128 -8.286 1.00 10.00 O ATOM 634 CB MET A 55 -3.417 -7.474 -6.710 1.00 10.00 C ATOM 635 CG MET A 55 -3.269 -6.010 -7.092 1.00 10.00 C ATOM 636 SD MET A 55 -1.560 -5.542 -7.424 1.00 10.00 S ATOM 637 CE MET A 55 -1.231 -6.484 -8.910 1.00 10.00 C ATOM 0 H MET A 55 -3.935 -9.503 -5.394 1.00 10.00 H new ATOM 0 HA MET A 55 -5.308 -7.062 -5.777 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.764 -7.688 -5.864 1.00 10.00 H new ATOM 0 HB3 MET A 55 -3.076 -8.094 -7.540 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.874 -5.807 -7.975 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.661 -5.388 -6.287 1.00 10.00 H new ATOM 0 HE1 MET A 55 -0.326 -6.108 -9.386 1.00 10.00 H new ATOM 0 HE2 MET A 55 -1.096 -7.534 -8.652 1.00 10.00 H new ATOM 0 HE3 MET A 55 -2.071 -6.384 -9.597 1.00 10.00 H new ATOM 647 N ARG A 56 -5.945 -9.343 -7.936 1.00 10.00 N ATOM 648 CA ARG A 56 -6.732 -9.677 -9.112 1.00 10.00 C ATOM 649 C ARG A 56 -8.221 -9.618 -8.778 1.00 10.00 C ATOM 650 O ARG A 56 -9.064 -9.492 -9.667 1.00 10.00 O ATOM 651 CB ARG A 56 -6.356 -11.073 -9.620 1.00 10.00 C ATOM 652 CG ARG A 56 -6.803 -11.353 -11.045 1.00 10.00 C ATOM 653 CD ARG A 56 -6.226 -12.661 -11.563 1.00 10.00 C ATOM 654 NE ARG A 56 -6.463 -12.834 -12.996 1.00 10.00 N ATOM 655 CZ ARG A 56 -5.498 -12.870 -13.921 1.00 10.00 C ATOM 656 NH1 ARG A 56 -4.222 -12.753 -13.574 1.00 10.00 N ATOM 657 NH2 ARG A 56 -5.813 -13.023 -15.201 1.00 10.00 N ATOM 0 H ARG A 56 -5.628 -10.149 -7.397 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.519 -8.952 -9.897 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -5.274 -11.191 -9.560 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.796 -11.820 -8.959 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.892 -11.393 -11.085 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.490 -10.534 -11.693 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -5.154 -12.687 -11.367 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -6.670 -13.494 -11.019 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.428 -12.934 -13.310 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -3.969 -12.634 -12.593 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -3.495 -12.782 -14.288 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -6.790 -13.113 -15.478 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -5.078 -13.051 -15.907 1.00 10.00 H new ATOM 671 N GLN A 57 -8.526 -9.674 -7.485 1.00 10.00 N ATOM 672 CA GLN A 57 -9.904 -9.642 -7.010 1.00 10.00 C ATOM 673 C GLN A 57 -10.375 -8.202 -6.791 1.00 10.00 C ATOM 674 O GLN A 57 -11.557 -7.949 -6.551 1.00 10.00 O ATOM 675 CB GLN A 57 -10.015 -10.451 -5.710 1.00 10.00 C ATOM 676 CG GLN A 57 -11.438 -10.621 -5.198 1.00 10.00 C ATOM 677 CD GLN A 57 -11.521 -11.540 -3.997 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.766 -12.507 -3.881 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.434 -11.241 -3.089 1.00 10.00 N ATOM 0 H GLN A 57 -7.830 -9.742 -6.742 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.548 -10.089 -7.767 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.579 -11.437 -5.871 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.420 -9.961 -4.939 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.843 -9.645 -4.932 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -12.063 -11.018 -5.998 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -13.040 -10.431 -3.222 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.533 -11.820 -2.255 1.00 10.00 H new ATOM 688 N ILE A 58 -9.450 -7.257 -6.886 1.00 10.00 N ATOM 689 CA ILE A 58 -9.784 -5.850 -6.700 1.00 10.00 C ATOM 690 C ILE A 58 -9.311 -5.014 -7.885 1.00 10.00 C ATOM 691 O ILE A 58 -8.568 -5.498 -8.739 1.00 10.00 O ATOM 692 CB ILE A 58 -9.180 -5.281 -5.396 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.700 -5.653 -5.274 1.00 10.00 C ATOM 694 CG2 ILE A 58 -9.967 -5.776 -4.187 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.036 -5.107 -4.028 1.00 10.00 C ATOM 0 H ILE A 58 -8.467 -7.437 -7.090 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.870 -5.793 -6.629 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.250 -4.194 -5.429 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.606 -6.739 -5.279 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.168 -5.283 -6.150 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.530 -5.367 -3.276 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -11.004 -5.451 -4.270 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.930 -6.865 -4.150 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -5.989 -5.411 -4.010 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.098 -4.019 -4.030 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.542 -5.497 -3.145 1.00 10.00 H new ATOM 707 N ARG A 59 -9.772 -3.774 -7.943 1.00 10.00 N ATOM 708 CA ARG A 59 -9.404 -2.853 -9.012 1.00 10.00 C ATOM 709 C ARG A 59 -9.128 -1.471 -8.434 1.00 10.00 C ATOM 710 O ARG A 59 -9.760 -1.065 -7.457 1.00 10.00 O ATOM 711 CB ARG A 59 -10.519 -2.764 -10.060 1.00 10.00 C ATOM 712 CG ARG A 59 -10.652 -4.004 -10.934 1.00 10.00 C ATOM 713 CD ARG A 59 -9.335 -4.360 -11.606 1.00 10.00 C ATOM 714 NE ARG A 59 -9.487 -5.441 -12.579 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.419 -6.735 -12.278 1.00 10.00 C ATOM 716 NH1 ARG A 59 -9.208 -7.122 -11.025 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.555 -7.642 -13.238 1.00 10.00 N ATOM 0 H ARG A 59 -10.410 -3.377 -7.253 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.503 -3.230 -9.496 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.467 -2.587 -9.552 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -10.334 -1.900 -10.699 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.989 -4.844 -10.326 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.415 -3.834 -11.694 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.933 -3.478 -12.105 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.610 -4.655 -10.848 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.656 -5.186 -13.552 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -9.097 -6.426 -10.288 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -9.157 -8.116 -10.800 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.711 -7.345 -14.201 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -9.504 -8.635 -13.012 1.00 10.00 H new ATOM 731 N PHE A 60 -8.194 -0.751 -9.039 1.00 10.00 N ATOM 732 CA PHE A 60 -7.831 0.580 -8.571 1.00 10.00 C ATOM 733 C PHE A 60 -8.064 1.617 -9.663 1.00 10.00 C ATOM 734 O PHE A 60 -7.684 1.417 -10.820 1.00 10.00 O ATOM 735 CB PHE A 60 -6.365 0.608 -8.132 1.00 10.00 C ATOM 736 CG PHE A 60 -6.077 -0.233 -6.919 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.769 -1.579 -7.046 1.00 10.00 C ATOM 738 CD2 PHE A 60 -6.112 0.325 -5.651 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.501 -2.351 -5.933 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.845 -0.443 -4.534 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.539 -1.783 -4.675 1.00 10.00 C ATOM 0 H PHE A 60 -7.673 -1.067 -9.857 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.463 0.824 -7.717 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.742 0.263 -8.957 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -6.078 1.639 -7.924 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.738 -2.029 -8.027 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -6.351 1.372 -5.535 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.262 -3.398 -6.046 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.875 0.004 -3.551 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.330 -2.385 -3.803 1.00 10.00 H new ATOM 751 N ARG A 61 -8.691 2.722 -9.296 1.00 10.00 N ATOM 752 CA ARG A 61 -8.977 3.785 -10.243 1.00 10.00 C ATOM 753 C ARG A 61 -8.535 5.134 -9.701 1.00 10.00 C ATOM 754 O ARG A 61 -8.606 5.390 -8.497 1.00 10.00 O ATOM 755 CB ARG A 61 -10.471 3.827 -10.565 1.00 10.00 C ATOM 756 CG ARG A 61 -10.923 2.745 -11.529 1.00 10.00 C ATOM 757 CD ARG A 61 -12.402 2.870 -11.843 1.00 10.00 C ATOM 758 NE ARG A 61 -12.819 1.954 -12.899 1.00 10.00 N ATOM 759 CZ ARG A 61 -14.016 1.984 -13.482 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.918 2.882 -13.107 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.309 1.115 -14.439 1.00 10.00 N ATOM 0 H ARG A 61 -9.012 2.906 -8.346 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.418 3.576 -11.155 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -11.035 3.732 -9.637 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.714 4.802 -10.988 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -10.346 2.813 -12.451 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.722 1.764 -11.098 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.981 2.671 -10.942 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.623 3.894 -12.144 1.00 10.00 H new ATOM 0 HE ARG A 61 -12.153 1.247 -13.210 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.695 3.552 -12.370 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.834 2.903 -13.555 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.618 0.423 -14.729 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -15.226 1.138 -14.886 1.00 10.00 H new ATOM 775 N PHE A 62 -8.069 5.984 -10.597 1.00 10.00 N ATOM 776 CA PHE A 62 -7.629 7.317 -10.238 1.00 10.00 C ATOM 777 C PHE A 62 -8.041 8.296 -11.324 1.00 10.00 C ATOM 778 O PHE A 62 -7.725 8.093 -12.498 1.00 10.00 O ATOM 779 CB PHE A 62 -6.110 7.363 -10.040 1.00 10.00 C ATOM 780 CG PHE A 62 -5.584 8.746 -9.768 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.843 9.371 -8.557 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.842 9.423 -10.726 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.371 10.646 -8.307 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.368 10.697 -10.479 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.634 11.309 -9.270 1.00 10.00 C ATOM 0 H PHE A 62 -7.985 5.770 -11.591 1.00 10.00 H new ATOM 0 HA PHE A 62 -8.100 7.595 -9.295 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.839 6.710 -9.210 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.623 6.966 -10.931 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.419 8.856 -7.802 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.633 8.949 -11.674 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.578 11.123 -7.361 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.790 11.214 -11.231 1.00 10.00 H new ATOM 0 HZ PHE A 62 -4.266 12.306 -9.077 1.00 10.00 H new ATOM 795 N ASP A 63 -8.783 9.326 -10.929 1.00 10.00 N ATOM 796 CA ASP A 63 -9.243 10.366 -11.853 1.00 10.00 C ATOM 797 C ASP A 63 -10.157 9.783 -12.934 1.00 10.00 C ATOM 798 O ASP A 63 -10.254 10.315 -14.042 1.00 10.00 O ATOM 799 CB ASP A 63 -8.043 11.084 -12.488 1.00 10.00 C ATOM 800 CG ASP A 63 -8.386 12.477 -12.971 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.066 13.218 -12.230 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.962 12.846 -14.085 1.00 10.00 O ATOM 0 H ASP A 63 -9.083 9.466 -9.964 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.823 11.092 -11.283 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.234 11.145 -11.760 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.673 10.494 -13.326 1.00 10.00 H new ATOM 807 N GLY A 64 -10.816 8.676 -12.606 1.00 10.00 N ATOM 808 CA GLY A 64 -11.723 8.035 -13.541 1.00 10.00 C ATOM 809 C GLY A 64 -11.031 7.039 -14.452 1.00 10.00 C ATOM 810 O GLY A 64 -11.688 6.346 -15.235 1.00 10.00 O ATOM 0 H GLY A 64 -10.737 8.209 -11.703 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.509 7.524 -12.984 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.208 8.799 -14.149 1.00 10.00 H new ATOM 814 N GLN A 65 -9.711 6.957 -14.351 1.00 10.00 N ATOM 815 CA GLN A 65 -8.939 6.047 -15.186 1.00 10.00 C ATOM 816 C GLN A 65 -8.312 4.939 -14.340 1.00 10.00 C ATOM 817 O GLN A 65 -7.916 5.168 -13.197 1.00 10.00 O ATOM 818 CB GLN A 65 -7.840 6.812 -15.935 1.00 10.00 C ATOM 819 CG GLN A 65 -8.257 8.203 -16.398 1.00 10.00 C ATOM 820 CD GLN A 65 -9.452 8.185 -17.335 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.639 7.248 -18.116 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.277 9.217 -17.251 1.00 10.00 N ATOM 0 H GLN A 65 -9.153 7.509 -13.700 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.616 5.595 -15.911 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -6.968 6.902 -15.287 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.533 6.229 -16.803 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.495 8.813 -15.527 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.416 8.680 -16.901 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -10.085 9.971 -16.591 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -11.105 9.258 -17.846 1.00 10.00 H new ATOM 831 N PRO A 66 -8.225 3.717 -14.883 1.00 10.00 N ATOM 832 CA PRO A 66 -7.632 2.578 -14.176 1.00 10.00 C ATOM 833 C PRO A 66 -6.120 2.727 -14.008 1.00 10.00 C ATOM 834 O PRO A 66 -5.408 3.080 -14.952 1.00 10.00 O ATOM 835 CB PRO A 66 -7.960 1.385 -15.078 1.00 10.00 C ATOM 836 CG PRO A 66 -8.137 1.969 -16.437 1.00 10.00 C ATOM 837 CD PRO A 66 -8.708 3.342 -16.228 1.00 10.00 C ATOM 0 HA PRO A 66 -8.022 2.478 -13.163 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -7.157 0.648 -15.066 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.865 0.876 -14.746 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -7.186 2.019 -16.967 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.806 1.356 -17.041 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.360 4.041 -16.988 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.797 3.335 -16.276 1.00 10.00 H new ATOM 845 N ILE A 67 -5.631 2.463 -12.806 1.00 10.00 N ATOM 846 CA ILE A 67 -4.208 2.573 -12.527 1.00 10.00 C ATOM 847 C ILE A 67 -3.476 1.321 -12.991 1.00 10.00 C ATOM 848 O ILE A 67 -3.957 0.201 -12.791 1.00 10.00 O ATOM 849 CB ILE A 67 -3.933 2.788 -11.024 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.889 3.834 -10.450 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.485 3.209 -10.802 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.765 4.007 -8.953 1.00 10.00 C ATOM 0 H ILE A 67 -6.198 2.172 -12.010 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.842 3.442 -13.074 1.00 10.00 H new ATOM 0 HB ILE A 67 -4.101 1.845 -10.504 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.701 4.792 -10.935 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.913 3.550 -10.691 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.308 3.356 -9.737 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.819 2.432 -11.176 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.291 4.140 -11.334 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.472 4.764 -8.614 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.982 3.060 -8.458 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.751 4.321 -8.706 1.00 10.00 H new ATOM 864 N ASN A 68 -2.329 1.514 -13.622 1.00 10.00 N ATOM 865 CA ASN A 68 -1.529 0.400 -14.107 1.00 10.00 C ATOM 866 C ASN A 68 -0.512 0.006 -13.042 1.00 10.00 C ATOM 867 O ASN A 68 -0.452 0.624 -11.978 1.00 10.00 O ATOM 868 CB ASN A 68 -0.810 0.783 -15.405 1.00 10.00 C ATOM 869 CG ASN A 68 -0.610 -0.400 -16.335 1.00 10.00 C ATOM 870 OD1 ASN A 68 0.263 -1.239 -16.110 1.00 10.00 O ATOM 871 ND2 ASN A 68 -1.404 -0.467 -17.393 1.00 10.00 N ATOM 0 H ASN A 68 -1.930 2.434 -13.811 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.184 -0.446 -14.314 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -1.385 1.552 -15.921 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.160 1.218 -15.164 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -1.304 -1.234 -18.058 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -2.115 0.249 -17.543 1.00 10.00 H new ATOM 878 N GLU A 69 0.284 -1.015 -13.321 1.00 10.00 N ATOM 879 CA GLU A 69 1.296 -1.465 -12.373 1.00 10.00 C ATOM 880 C GLU A 69 2.591 -0.686 -12.573 1.00 10.00 C ATOM 881 O GLU A 69 3.481 -0.703 -11.724 1.00 10.00 O ATOM 882 CB GLU A 69 1.556 -2.962 -12.536 1.00 10.00 C ATOM 883 CG GLU A 69 0.446 -3.837 -11.972 1.00 10.00 C ATOM 884 CD GLU A 69 0.542 -5.275 -12.438 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.554 -5.944 -12.136 1.00 10.00 O ATOM 886 OE2 GLU A 69 -0.392 -5.744 -13.121 1.00 10.00 O ATOM 0 H GLU A 69 0.251 -1.546 -14.191 1.00 10.00 H new ATOM 0 HA GLU A 69 0.926 -1.283 -11.364 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.683 -3.187 -13.595 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.494 -3.216 -12.042 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.484 -3.809 -10.883 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.520 -3.427 -12.268 1.00 10.00 H new ATOM 893 N THR A 70 2.676 0.013 -13.697 1.00 10.00 N ATOM 894 CA THR A 70 3.855 0.800 -14.030 1.00 10.00 C ATOM 895 C THR A 70 3.593 2.295 -13.854 1.00 10.00 C ATOM 896 O THR A 70 4.264 3.128 -14.467 1.00 10.00 O ATOM 897 CB THR A 70 4.286 0.529 -15.486 1.00 10.00 C ATOM 898 OG1 THR A 70 3.145 0.615 -16.357 1.00 10.00 O ATOM 899 CG2 THR A 70 4.917 -0.849 -15.617 1.00 10.00 C ATOM 0 H THR A 70 1.936 0.051 -14.398 1.00 10.00 H new ATOM 0 HA THR A 70 4.652 0.502 -13.349 1.00 10.00 H new ATOM 0 HB THR A 70 5.024 1.280 -15.769 1.00 10.00 H new ATOM 0 HG1 THR A 70 3.425 0.444 -17.280 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.213 -1.017 -16.653 1.00 10.00 H new ATOM 0 HG22 THR A 70 5.795 -0.910 -14.975 1.00 10.00 H new ATOM 0 HG23 THR A 70 4.196 -1.609 -15.318 1.00 10.00 H new ATOM 907 N ASP A 71 2.617 2.636 -13.020 1.00 10.00 N ATOM 908 CA ASP A 71 2.266 4.036 -12.791 1.00 10.00 C ATOM 909 C ASP A 71 2.956 4.589 -11.551 1.00 10.00 C ATOM 910 O ASP A 71 3.065 3.908 -10.529 1.00 10.00 O ATOM 911 CB ASP A 71 0.750 4.198 -12.653 1.00 10.00 C ATOM 912 CG ASP A 71 0.057 4.404 -13.985 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.607 5.129 -14.841 1.00 10.00 O ATOM 914 OD2 ASP A 71 -1.041 3.840 -14.182 1.00 10.00 O ATOM 0 H ASP A 71 2.056 1.967 -12.493 1.00 10.00 H new ATOM 0 HA ASP A 71 2.610 4.602 -13.657 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.338 3.314 -12.167 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.538 5.047 -12.003 1.00 10.00 H new ATOM 919 N THR A 72 3.430 5.821 -11.652 1.00 10.00 N ATOM 920 CA THR A 72 4.100 6.484 -10.547 1.00 10.00 C ATOM 921 C THR A 72 3.352 7.761 -10.166 1.00 10.00 C ATOM 922 O THR A 72 2.595 8.302 -10.978 1.00 10.00 O ATOM 923 CB THR A 72 5.557 6.823 -10.917 1.00 10.00 C ATOM 924 OG1 THR A 72 5.661 7.048 -12.328 1.00 10.00 O ATOM 925 CG2 THR A 72 6.496 5.698 -10.511 1.00 10.00 C ATOM 0 H THR A 72 3.361 6.386 -12.498 1.00 10.00 H new ATOM 0 HA THR A 72 4.106 5.805 -9.695 1.00 10.00 H new ATOM 0 HB THR A 72 5.844 7.726 -10.379 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.589 7.265 -12.557 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.518 5.961 -10.783 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.435 5.544 -9.434 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.209 4.781 -11.025 1.00 10.00 H new ATOM 933 N PRO A 73 3.543 8.260 -8.927 1.00 10.00 N ATOM 934 CA PRO A 73 2.876 9.482 -8.455 1.00 10.00 C ATOM 935 C PRO A 73 3.128 10.676 -9.372 1.00 10.00 C ATOM 936 O PRO A 73 2.210 11.440 -9.674 1.00 10.00 O ATOM 937 CB PRO A 73 3.501 9.730 -7.078 1.00 10.00 C ATOM 938 CG PRO A 73 3.999 8.401 -6.636 1.00 10.00 C ATOM 939 CD PRO A 73 4.412 7.675 -7.886 1.00 10.00 C ATOM 0 HA PRO A 73 1.793 9.363 -8.430 1.00 10.00 H new ATOM 0 HB2 PRO A 73 4.312 10.455 -7.138 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.767 10.129 -6.378 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.840 8.508 -5.951 1.00 10.00 H new ATOM 0 HG3 PRO A 73 3.223 7.851 -6.104 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.467 7.830 -8.110 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.260 6.599 -7.794 1.00 10.00 H new ATOM 947 N ALA A 74 4.369 10.824 -9.826 1.00 10.00 N ATOM 948 CA ALA A 74 4.733 11.927 -10.706 1.00 10.00 C ATOM 949 C ALA A 74 4.225 11.695 -12.125 1.00 10.00 C ATOM 950 O ALA A 74 3.976 12.646 -12.864 1.00 10.00 O ATOM 951 CB ALA A 74 6.242 12.130 -10.710 1.00 10.00 C ATOM 0 H ALA A 74 5.138 10.194 -9.599 1.00 10.00 H new ATOM 0 HA ALA A 74 4.258 12.830 -10.323 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.496 12.958 -11.372 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.581 12.357 -9.699 1.00 10.00 H new ATOM 0 HB3 ALA A 74 6.730 11.221 -11.061 1.00 10.00 H new ATOM 957 N GLN A 75 4.066 10.429 -12.507 1.00 10.00 N ATOM 958 CA GLN A 75 3.581 10.089 -13.841 1.00 10.00 C ATOM 959 C GLN A 75 2.125 10.512 -13.995 1.00 10.00 C ATOM 960 O GLN A 75 1.704 10.976 -15.055 1.00 10.00 O ATOM 961 CB GLN A 75 3.721 8.584 -14.097 1.00 10.00 C ATOM 962 CG GLN A 75 3.327 8.159 -15.504 1.00 10.00 C ATOM 963 CD GLN A 75 4.094 8.903 -16.578 1.00 10.00 C ATOM 964 OE1 GLN A 75 5.251 9.279 -16.392 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.452 9.128 -17.706 1.00 10.00 N ATOM 0 H GLN A 75 4.266 9.625 -11.913 1.00 10.00 H new ATOM 0 HA GLN A 75 4.185 10.624 -14.574 1.00 10.00 H new ATOM 0 HB2 GLN A 75 4.754 8.289 -13.915 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.104 8.044 -13.379 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.499 7.089 -15.617 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.259 8.327 -15.644 1.00 10.00 H new ATOM 0 HE21 GLN A 75 2.493 8.800 -17.821 1.00 10.00 H new ATOM 0 HE22 GLN A 75 3.914 9.630 -18.464 1.00 10.00 H new ATOM 974 N LEU A 76 1.369 10.354 -12.923 1.00 10.00 N ATOM 975 CA LEU A 76 -0.037 10.721 -12.919 1.00 10.00 C ATOM 976 C LEU A 76 -0.216 12.136 -12.384 1.00 10.00 C ATOM 977 O LEU A 76 -1.334 12.655 -12.344 1.00 10.00 O ATOM 978 CB LEU A 76 -0.837 9.731 -12.071 1.00 10.00 C ATOM 979 CG LEU A 76 -0.718 8.265 -12.495 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.372 7.358 -11.466 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.345 8.052 -13.863 1.00 10.00 C ATOM 0 H LEU A 76 1.707 9.972 -12.040 1.00 10.00 H new ATOM 0 HA LEU A 76 -0.408 10.688 -13.943 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.513 9.820 -11.034 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.888 10.017 -12.102 1.00 10.00 H new ATOM 0 HG LEU A 76 0.340 8.011 -12.557 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.278 6.320 -11.784 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.881 7.488 -10.502 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.427 7.615 -11.373 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -1.251 7.004 -14.147 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.400 8.324 -13.826 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.835 8.675 -14.598 1.00 10.00 H new ATOM 993 N GLU A 77 0.900 12.750 -11.980 1.00 10.00 N ATOM 994 CA GLU A 77 0.904 14.106 -11.435 1.00 10.00 C ATOM 995 C GLU A 77 -0.059 14.221 -10.256 1.00 10.00 C ATOM 996 O GLU A 77 -0.923 15.097 -10.223 1.00 10.00 O ATOM 997 CB GLU A 77 0.543 15.121 -12.526 1.00 10.00 C ATOM 998 CG GLU A 77 1.605 15.264 -13.607 1.00 10.00 C ATOM 999 CD GLU A 77 2.870 15.941 -13.114 1.00 10.00 C ATOM 1000 OE1 GLU A 77 2.878 16.458 -11.975 1.00 10.00 O ATOM 1001 OE2 GLU A 77 3.863 15.968 -13.871 1.00 10.00 O ATOM 0 H GLU A 77 1.824 12.320 -12.022 1.00 10.00 H new ATOM 0 HA GLU A 77 1.909 14.326 -11.074 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.397 14.823 -12.990 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.375 16.094 -12.063 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.856 14.276 -13.994 1.00 10.00 H new ATOM 0 HG3 GLU A 77 1.194 15.837 -14.438 1.00 10.00 H new ATOM 1008 N MET A 78 0.106 13.330 -9.288 1.00 10.00 N ATOM 1009 CA MET A 78 -0.752 13.305 -8.113 1.00 10.00 C ATOM 1010 C MET A 78 -0.294 14.319 -7.074 1.00 10.00 C ATOM 1011 O MET A 78 0.901 14.606 -6.954 1.00 10.00 O ATOM 1012 CB MET A 78 -0.768 11.908 -7.496 1.00 10.00 C ATOM 1013 CG MET A 78 -1.248 10.827 -8.444 1.00 10.00 C ATOM 1014 SD MET A 78 -1.083 9.171 -7.752 1.00 10.00 S ATOM 1015 CE MET A 78 -2.102 9.318 -6.285 1.00 10.00 C ATOM 0 H MET A 78 0.830 12.612 -9.294 1.00 10.00 H new ATOM 0 HA MET A 78 -1.760 13.570 -8.433 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.237 11.660 -7.155 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.410 11.917 -6.615 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.293 11.008 -8.696 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.681 10.886 -9.373 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.470 9.284 -5.398 1.00 10.00 H new ATOM 0 HE2 MET A 78 -2.642 10.265 -6.310 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.816 8.495 -6.254 1.00 10.00 H new ATOM 1025 N GLU A 79 -1.246 14.838 -6.314 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.960 15.823 -5.285 1.00 10.00 C ATOM 1027 C GLU A 79 -1.160 15.229 -3.896 1.00 10.00 C ATOM 1028 O GLU A 79 -1.356 14.020 -3.744 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.870 17.038 -5.464 1.00 10.00 C ATOM 1030 CG GLU A 79 -1.627 17.791 -6.756 1.00 10.00 C ATOM 1031 CD GLU A 79 -0.365 18.624 -6.708 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -0.252 19.485 -5.809 1.00 10.00 O ATOM 1033 OE2 GLU A 79 0.514 18.427 -7.571 1.00 10.00 O ATOM 0 H GLU A 79 -2.232 14.590 -6.393 1.00 10.00 H new ATOM 0 HA GLU A 79 0.081 16.131 -5.382 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -2.909 16.711 -5.433 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -1.725 17.717 -4.624 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.560 17.081 -7.580 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.479 18.439 -6.962 1.00 10.00 H new ATOM 1040 N ASP A 80 -1.106 16.087 -2.888 1.00 10.00 N ATOM 1041 CA ASP A 80 -1.283 15.663 -1.505 1.00 10.00 C ATOM 1042 C ASP A 80 -2.756 15.438 -1.202 1.00 10.00 C ATOM 1043 O ASP A 80 -3.619 16.148 -1.727 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.719 16.707 -0.540 1.00 10.00 C ATOM 1045 CG ASP A 80 0.782 16.593 -0.358 1.00 10.00 C ATOM 1046 OD1 ASP A 80 1.518 17.396 -0.972 1.00 10.00 O ATOM 1047 OD2 ASP A 80 1.233 15.708 0.401 1.00 10.00 O ATOM 0 H ASP A 80 -0.940 17.087 -3.002 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.741 14.727 -1.370 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -0.960 17.704 -0.909 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -1.207 16.600 0.429 1.00 10.00 H new ATOM 1052 N GLU A 81 -3.029 14.446 -0.359 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.390 14.097 0.048 1.00 10.00 C ATOM 1054 C GLU A 81 -5.220 13.579 -1.128 1.00 10.00 C ATOM 1055 O GLU A 81 -6.452 13.522 -1.049 1.00 10.00 O ATOM 1056 CB GLU A 81 -5.093 15.290 0.705 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.410 15.783 1.970 1.00 10.00 C ATOM 1058 CD GLU A 81 -5.269 16.749 2.757 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -5.189 17.968 2.504 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -6.032 16.293 3.635 1.00 10.00 O ATOM 0 H GLU A 81 -2.311 13.858 0.064 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.306 13.294 0.780 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -5.145 16.109 -0.012 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -6.119 15.009 0.943 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.160 14.929 2.600 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -3.471 16.270 1.705 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.547 13.201 -2.212 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.234 12.671 -3.383 1.00 10.00 C ATOM 1069 C ASP A 82 -5.871 11.338 -3.026 1.00 10.00 C ATOM 1070 O ASP A 82 -5.230 10.477 -2.415 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.269 12.506 -4.560 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.698 13.314 -5.769 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.806 13.067 -6.293 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.932 14.207 -6.199 1.00 10.00 O ATOM 0 H ASP A 82 -3.532 13.252 -2.302 1.00 10.00 H new ATOM 0 HA ASP A 82 -6.008 13.375 -3.689 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.269 12.815 -4.254 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.207 11.452 -4.832 1.00 10.00 H new ATOM 1079 N THR A 83 -7.127 11.172 -3.391 1.00 10.00 N ATOM 1080 CA THR A 83 -7.859 9.963 -3.062 1.00 10.00 C ATOM 1081 C THR A 83 -7.956 8.986 -4.233 1.00 10.00 C ATOM 1082 O THR A 83 -8.434 9.331 -5.317 1.00 10.00 O ATOM 1083 CB THR A 83 -9.270 10.324 -2.573 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.179 11.391 -1.618 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.958 9.123 -1.935 1.00 10.00 C ATOM 0 H THR A 83 -7.664 11.861 -3.917 1.00 10.00 H new ATOM 0 HA THR A 83 -7.300 9.461 -2.272 1.00 10.00 H new ATOM 0 HB THR A 83 -9.864 10.637 -3.431 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.077 11.626 -1.304 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.954 9.410 -1.599 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.040 8.319 -2.667 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.373 8.779 -1.082 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.484 7.769 -3.997 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.541 6.711 -4.992 1.00 10.00 C ATOM 1095 C ILE A 84 -8.794 5.875 -4.753 1.00 10.00 C ATOM 1096 O ILE A 84 -9.120 5.550 -3.607 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.279 5.815 -4.938 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.070 6.569 -5.496 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.494 4.519 -5.709 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.750 5.873 -5.237 1.00 10.00 C ATOM 0 H ILE A 84 -7.054 7.490 -3.115 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.578 7.162 -5.983 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.088 5.561 -3.895 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.198 6.700 -6.571 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.039 7.565 -5.055 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.592 3.909 -5.654 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.330 3.971 -5.274 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.714 4.748 -6.752 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -2.938 6.464 -5.660 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.600 5.766 -4.163 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.761 4.887 -5.701 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.501 5.546 -5.822 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.733 4.772 -5.714 1.00 10.00 C ATOM 1114 C ASP A 85 -10.455 3.279 -5.832 1.00 10.00 C ATOM 1115 O ASP A 85 -9.830 2.827 -6.791 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.733 5.199 -6.793 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.182 6.639 -6.645 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.071 6.910 -5.814 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -11.655 7.511 -7.368 1.00 10.00 O ATOM 0 H ASP A 85 -9.245 5.802 -6.776 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.162 4.968 -4.732 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.280 5.064 -7.775 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.605 4.546 -6.752 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.913 2.521 -4.847 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.726 1.074 -4.837 1.00 10.00 C ATOM 1126 C VAL A 86 -12.062 0.371 -5.047 1.00 10.00 C ATOM 1127 O VAL A 86 -13.047 0.680 -4.374 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.099 0.592 -3.510 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.788 -0.899 -3.565 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.844 1.388 -3.189 1.00 10.00 C ATOM 0 H VAL A 86 -11.420 2.884 -4.040 1.00 10.00 H new ATOM 0 HA VAL A 86 -10.044 0.825 -5.650 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.825 0.758 -2.714 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.347 -1.214 -2.619 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.708 -1.456 -3.740 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -9.086 -1.095 -4.375 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.418 1.033 -2.251 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.116 1.258 -3.990 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.097 2.444 -3.096 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.097 -0.568 -5.981 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.320 -1.304 -6.280 1.00 10.00 C ATOM 1142 C PHE A 87 -13.058 -2.803 -6.296 1.00 10.00 C ATOM 1143 O PHE A 87 -11.911 -3.237 -6.384 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.886 -0.868 -7.635 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.251 0.585 -7.694 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.391 1.051 -7.062 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.452 1.486 -8.378 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.728 2.388 -7.109 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.785 2.824 -8.430 1.00 10.00 C ATOM 1150 CZ PHE A 87 -14.922 3.277 -7.793 1.00 10.00 C ATOM 0 H PHE A 87 -11.293 -0.840 -6.546 1.00 10.00 H new ATOM 0 HA PHE A 87 -14.046 -1.082 -5.498 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -13.152 -1.081 -8.412 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.770 -1.465 -7.859 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.024 0.360 -6.526 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.559 1.138 -8.876 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.620 2.739 -6.612 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.156 3.517 -8.969 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.181 4.325 -7.829 1.00 10.00 H new ATOM 1160 N GLN A 88 -14.120 -3.586 -6.203 1.00 10.00 N ATOM 1161 CA GLN A 88 -14.003 -5.038 -6.221 1.00 10.00 C ATOM 1162 C GLN A 88 -14.275 -5.574 -7.618 1.00 10.00 C ATOM 1163 O GLN A 88 -15.053 -4.993 -8.376 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.982 -5.675 -5.236 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.527 -5.614 -3.787 1.00 10.00 C ATOM 1166 CD GLN A 88 -15.467 -6.347 -2.852 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -16.109 -7.329 -3.231 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -15.554 -5.874 -1.622 1.00 10.00 N ATOM 0 H GLN A 88 -15.076 -3.241 -6.114 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.986 -5.295 -5.925 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.947 -5.176 -5.325 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -15.135 -6.718 -5.515 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -13.529 -6.045 -3.705 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -14.451 -4.572 -3.477 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -15.005 -5.059 -1.349 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -16.170 -6.324 -0.945 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.624 -6.673 -7.957 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.807 -7.295 -9.257 1.00 10.00 C ATOM 1179 C GLN A 89 -15.087 -8.121 -9.255 1.00 10.00 C ATOM 1180 O GLN A 89 -15.409 -8.772 -8.256 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.598 -8.176 -9.599 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.810 -9.081 -10.805 1.00 10.00 C ATOM 1183 CD GLN A 89 -12.855 -8.325 -12.120 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -13.193 -7.144 -12.168 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -12.526 -9.009 -13.199 1.00 10.00 N ATOM 0 H GLN A 89 -12.962 -7.154 -7.348 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.890 -6.518 -10.017 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.736 -7.535 -9.786 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.355 -8.793 -8.734 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -12.007 -9.817 -10.844 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.742 -9.632 -10.678 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -12.251 -9.988 -13.118 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -12.547 -8.559 -14.114 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.814 -8.077 -10.365 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.063 -8.814 -10.505 1.00 10.00 C ATOM 1196 C GLN A 90 -16.837 -10.308 -10.296 1.00 10.00 C ATOM 1197 O GLN A 90 -15.780 -10.844 -10.637 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.680 -8.574 -11.888 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.203 -7.159 -12.102 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.095 -6.156 -12.349 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.039 -6.501 -12.883 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.322 -4.910 -11.967 1.00 10.00 N ATOM 0 H GLN A 90 -15.556 -7.533 -11.188 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.751 -8.452 -9.741 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -16.932 -8.792 -12.650 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.499 -9.278 -12.035 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -18.888 -7.154 -12.950 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.777 -6.852 -11.227 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.210 -4.665 -11.528 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -16.609 -4.195 -12.111 1.00 10.00 H new ATOM 1211 N THR A 91 -17.831 -10.975 -9.737 1.00 10.00 N ATOM 1212 CA THR A 91 -17.739 -12.400 -9.471 1.00 10.00 C ATOM 1213 C THR A 91 -18.293 -13.220 -10.633 1.00 10.00 C ATOM 1214 O THR A 91 -18.139 -14.442 -10.675 1.00 10.00 O ATOM 1215 CB THR A 91 -18.493 -12.756 -8.181 1.00 10.00 C ATOM 1216 OG1 THR A 91 -19.581 -11.839 -7.987 1.00 10.00 O ATOM 1217 CG2 THR A 91 -17.560 -12.701 -6.983 1.00 10.00 C ATOM 0 H THR A 91 -18.715 -10.550 -9.457 1.00 10.00 H new ATOM 0 HA THR A 91 -16.684 -12.644 -9.351 1.00 10.00 H new ATOM 0 HB THR A 91 -18.882 -13.770 -8.275 1.00 10.00 H new ATOM 0 HG1 THR A 91 -20.061 -12.070 -7.164 1.00 10.00 H new ATOM 0 HG21 THR A 91 -18.113 -12.956 -6.079 1.00 10.00 H new ATOM 0 HG22 THR A 91 -16.746 -13.412 -7.123 1.00 10.00 H new ATOM 0 HG23 THR A 91 -17.151 -11.695 -6.886 1.00 10.00 H new ATOM 1225 N GLY A 92 -18.935 -12.541 -11.574 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.501 -13.218 -12.726 1.00 10.00 C ATOM 1227 C GLY A 92 -20.947 -13.614 -12.505 1.00 10.00 C ATOM 1228 O GLY A 92 -21.595 -13.121 -11.577 1.00 10.00 O ATOM 0 H GLY A 92 -19.075 -11.531 -11.561 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.434 -12.566 -13.597 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -18.912 -14.108 -12.947 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -14.903 5.521 14.512 1.00 10.00 N ATOM 1234 CA ASP B 195 -14.294 5.736 13.207 1.00 10.00 C ATOM 1235 C ASP B 195 -13.083 4.841 13.046 1.00 10.00 C ATOM 1236 O ASP B 195 -12.534 4.346 14.035 1.00 10.00 O ATOM 1237 CB ASP B 195 -13.864 7.193 13.039 1.00 10.00 C ATOM 1238 CG ASP B 195 -15.035 8.142 13.042 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -15.273 8.795 14.079 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -15.729 8.235 12.008 1.00 10.00 O ATOM 0 HA ASP B 195 -15.036 5.496 12.446 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -13.180 7.462 13.844 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.315 7.301 12.104 1.00 10.00 H new ATOM 1245 N THR B 196 -12.659 4.629 11.813 1.00 10.00 N ATOM 1246 CA THR B 196 -11.501 3.801 11.576 1.00 10.00 C ATOM 1247 C THR B 196 -10.405 4.590 10.893 1.00 10.00 C ATOM 1248 O THR B 196 -10.619 5.208 9.846 1.00 10.00 O ATOM 1249 CB THR B 196 -11.851 2.575 10.724 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.092 2.803 10.038 1.00 10.00 O ATOM 1251 CG2 THR B 196 -11.950 1.326 11.593 1.00 10.00 C ATOM 0 H THR B 196 -13.094 5.014 10.975 1.00 10.00 H new ATOM 0 HA THR B 196 -11.147 3.460 12.549 1.00 10.00 H new ATOM 0 HB THR B 196 -11.059 2.418 9.992 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.313 2.019 9.493 1.00 10.00 H new ATOM 0 HG21 THR B 196 -12.199 0.468 10.969 1.00 10.00 H new ATOM 0 HG22 THR B 196 -10.995 1.150 12.088 1.00 10.00 H new ATOM 0 HG23 THR B 196 -12.727 1.466 12.344 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.239 4.565 11.499 1.00 10.00 N ATOM 1260 CA ALA B 197 -8.090 5.251 10.969 1.00 10.00 C ATOM 1261 C ALA B 197 -6.982 4.252 10.742 1.00 10.00 C ATOM 1262 O ALA B 197 -6.593 3.520 11.657 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.633 6.355 11.909 1.00 10.00 C ATOM 0 H ALA B 197 -9.064 4.068 12.372 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.358 5.718 10.021 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.764 6.857 11.485 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.439 7.076 12.043 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.368 5.924 12.875 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.484 4.224 9.533 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.428 3.328 9.177 1.00 10.00 C ATOM 1271 C GLY B 198 -4.244 4.074 8.654 1.00 10.00 C ATOM 1272 O GLY B 198 -4.397 4.992 7.851 1.00 10.00 O ATOM 0 H GLY B 198 -6.803 4.824 8.772 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -5.136 2.741 10.048 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.782 2.626 8.422 1.00 10.00 H new ATOM 1276 N CYS B 199 -3.066 3.734 9.120 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.876 4.389 8.633 1.00 10.00 C ATOM 1278 C CYS B 199 -1.020 3.366 7.921 1.00 10.00 C ATOM 1279 O CYS B 199 -0.678 2.325 8.476 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.106 5.033 9.787 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.090 6.191 10.770 1.00 10.00 S ATOM 0 H CYS B 199 -2.906 3.017 9.827 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.150 5.183 7.938 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.727 4.248 10.441 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.240 5.558 9.384 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.356 6.684 11.723 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.705 3.662 6.678 1.00 10.00 N ATOM 1288 CA ILE B 200 0.103 2.786 5.868 1.00 10.00 C ATOM 1289 C ILE B 200 1.333 3.550 5.383 1.00 10.00 C ATOM 1290 O ILE B 200 1.227 4.680 4.904 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.715 2.215 4.671 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -0.818 0.686 4.755 1.00 10.00 C ATOM 1293 CG2 ILE B 200 -0.112 2.617 3.349 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -1.358 0.024 3.498 1.00 10.00 C ATOM 0 H ILE B 200 -1.003 4.515 6.205 1.00 10.00 H new ATOM 0 HA ILE B 200 0.424 1.935 6.469 1.00 10.00 H new ATOM 0 HB ILE B 200 -1.717 2.639 4.734 1.00 10.00 H new ATOM 0 HG12 ILE B 200 0.170 0.279 4.970 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -1.461 0.423 5.595 1.00 10.00 H new ATOM 0 HG21 ILE B 200 -0.708 2.202 2.536 1.00 10.00 H new ATOM 0 HG22 ILE B 200 -0.099 3.704 3.271 1.00 10.00 H new ATOM 0 HG23 ILE B 200 0.907 2.236 3.283 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -1.398 -1.056 3.644 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.360 0.399 3.291 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -0.704 0.253 2.657 1.00 10.00 H new ATOM 1306 N VAL B 201 2.509 2.984 5.588 1.00 10.00 N ATOM 1307 CA VAL B 201 3.733 3.623 5.128 1.00 10.00 C ATOM 1308 C VAL B 201 4.552 2.688 4.247 1.00 10.00 C ATOM 1309 O VAL B 201 4.793 1.543 4.622 1.00 10.00 O ATOM 1310 CB VAL B 201 4.616 4.114 6.297 1.00 10.00 C ATOM 1311 CG1 VAL B 201 4.791 3.034 7.355 1.00 10.00 C ATOM 1312 CG2 VAL B 201 5.969 4.570 5.772 1.00 10.00 C ATOM 0 H VAL B 201 2.644 2.092 6.065 1.00 10.00 H new ATOM 0 HA VAL B 201 3.417 4.489 4.546 1.00 10.00 H new ATOM 0 HB VAL B 201 4.114 4.958 6.769 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.417 3.414 8.162 1.00 10.00 H new ATOM 0 HG12 VAL B 201 3.816 2.754 7.753 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.265 2.160 6.908 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.585 4.914 6.603 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.465 3.737 5.274 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.828 5.386 5.063 1.00 10.00 H new ATOM 1322 N ILE B 202 4.951 3.152 3.065 1.00 10.00 N ATOM 1323 CA ILE B 202 5.797 2.344 2.205 1.00 10.00 C ATOM 1324 C ILE B 202 7.074 3.120 1.919 1.00 10.00 C ATOM 1325 O ILE B 202 7.031 4.289 1.527 1.00 10.00 O ATOM 1326 CB ILE B 202 5.102 1.917 0.874 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.932 3.107 -0.091 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.758 1.258 1.175 1.00 10.00 C ATOM 1329 CD1 ILE B 202 4.124 2.797 -1.337 1.00 10.00 C ATOM 0 H ILE B 202 4.705 4.068 2.690 1.00 10.00 H new ATOM 0 HA ILE B 202 6.018 1.415 2.730 1.00 10.00 H new ATOM 0 HB ILE B 202 5.745 1.193 0.374 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.451 3.926 0.444 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.919 3.458 -0.392 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.280 0.963 0.241 1.00 10.00 H new ATOM 0 HG22 ILE B 202 3.916 0.376 1.796 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.117 1.964 1.704 1.00 10.00 H new ATOM 0 HD11 ILE B 202 4.055 3.690 -1.958 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.613 2.001 -1.899 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.122 2.476 -1.051 1.00 10.00 H new HETATM 1341 N SEP B 203 8.201 2.503 2.186 1.00 10.00 N HETATM 1342 CA SEP B 203 9.473 3.141 1.931 1.00 10.00 C HETATM 1343 CB SEP B 203 10.201 3.416 3.250 1.00 10.00 C HETATM 1344 OG SEP B 203 9.586 4.471 3.982 1.00 10.00 O HETATM 1345 C SEP B 203 10.333 2.279 1.014 1.00 10.00 C HETATM 1346 O SEP B 203 10.536 1.091 1.276 1.00 10.00 O HETATM 1347 P SEP B 203 10.425 5.788 4.342 1.00 10.00 P HETATM 1348 O1P SEP B 203 11.872 5.665 4.112 1.00 10.00 O HETATM 1349 O2P SEP B 203 10.088 6.393 5.645 1.00 10.00 O HETATM 1350 O3P SEP B 203 9.942 6.878 3.277 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.210 2.510 3.856 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.240 3.673 3.045 1.00 10.00 H new HETATM 0 HA SEP B 203 9.290 4.091 1.430 1.00 10.00 H new ATOM 1355 N ASP B 204 10.838 2.875 -0.051 1.00 10.00 N ATOM 1356 CA ASP B 204 11.686 2.158 -0.986 1.00 10.00 C ATOM 1357 C ASP B 204 13.058 2.821 -1.060 1.00 10.00 C ATOM 1358 O ASP B 204 13.155 4.026 -1.309 1.00 10.00 O ATOM 1359 CB ASP B 204 11.048 2.157 -2.380 1.00 10.00 C ATOM 1360 CG ASP B 204 11.640 1.101 -3.294 1.00 10.00 C ATOM 1361 OD1 ASP B 204 12.767 1.304 -3.795 1.00 10.00 O ATOM 1362 OD2 ASP B 204 10.981 0.062 -3.519 1.00 10.00 O ATOM 0 H ASP B 204 10.676 3.853 -0.290 1.00 10.00 H new ATOM 0 HA ASP B 204 11.798 1.131 -0.639 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.975 1.989 -2.284 1.00 10.00 H new ATOM 0 HB3 ASP B 204 11.177 3.139 -2.835 1.00 10.00 H new HETATM 1367 N SEP B 205 14.110 2.043 -0.838 1.00 10.00 N HETATM 1368 CA SEP B 205 15.467 2.553 -0.914 1.00 10.00 C HETATM 1369 CB SEP B 205 16.139 2.489 0.455 1.00 10.00 C HETATM 1370 OG SEP B 205 15.536 1.504 1.287 1.00 10.00 O HETATM 1371 C SEP B 205 16.272 1.778 -1.952 1.00 10.00 C HETATM 1372 O SEP B 205 16.280 0.544 -1.951 1.00 10.00 O HETATM 1373 P SEP B 205 16.350 0.918 2.529 1.00 10.00 P HETATM 1374 O1P SEP B 205 15.836 -0.364 3.038 1.00 10.00 O HETATM 1375 O2P SEP B 205 17.808 0.941 2.354 1.00 10.00 O HETATM 1376 O3P SEP B 205 16.079 1.952 3.716 1.00 10.00 O HETATM 0 HB3 SEP B 205 17.198 2.263 0.331 1.00 10.00 H new HETATM 0 HB2 SEP B 205 16.075 3.464 0.939 1.00 10.00 H new HETATM 0 HA SEP B 205 15.428 3.597 -1.225 1.00 10.00 H new ATOM 1381 N GLU B 206 16.922 2.509 -2.849 1.00 10.00 N ATOM 1382 CA GLU B 206 17.729 1.903 -3.898 1.00 10.00 C ATOM 1383 C GLU B 206 19.091 1.479 -3.344 1.00 10.00 C ATOM 1384 O GLU B 206 19.542 1.997 -2.315 1.00 10.00 O ATOM 1385 CB GLU B 206 17.905 2.890 -5.060 1.00 10.00 C ATOM 1386 CG GLU B 206 18.402 2.249 -6.348 1.00 10.00 C ATOM 1387 CD GLU B 206 17.351 1.381 -7.007 1.00 10.00 C ATOM 1388 OE1 GLU B 206 17.219 0.203 -6.620 1.00 10.00 O ATOM 1389 OE2 GLU B 206 16.662 1.879 -7.921 1.00 10.00 O ATOM 0 H GLU B 206 16.905 3.529 -2.870 1.00 10.00 H new ATOM 0 HA GLU B 206 17.217 1.014 -4.268 1.00 10.00 H new ATOM 0 HB2 GLU B 206 16.951 3.380 -5.255 1.00 10.00 H new ATOM 0 HB3 GLU B 206 18.607 3.668 -4.759 1.00 10.00 H new ATOM 0 HG2 GLU B 206 18.711 3.030 -7.043 1.00 10.00 H new ATOM 0 HG3 GLU B 206 19.284 1.646 -6.133 1.00 10.00 H new TER 1396 GLU B 206