USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 671 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 8 TYR OH : rot 180:sc= -0.0518 USER MOD Set 1.2: A 34 HIS : no HD1:sc= -6.39! C(o=-6.4!,f=-6.5!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 32 THR OG1 : rot 164:sc= -2.18 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.16) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.027) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.019) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -152:sc= -6.32! (180deg=-9.07!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.13) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= -0.824 X(o=-0.82,f=-0.4) USER MOD Single : A 164 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.215) USER MOD Single : A 165 SER OG : rot 86:sc= 0.0485 USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 10.237 -3.911 11.833 1.00 0.00 N ATOM 12 CA LYS A 2 9.695 -3.430 10.574 1.00 0.00 C ATOM 13 C LYS A 2 9.733 -4.560 9.542 1.00 0.00 C ATOM 14 O LYS A 2 10.691 -5.330 9.497 1.00 0.00 O ATOM 15 CB LYS A 2 10.428 -2.163 10.125 1.00 0.00 C ATOM 16 CG LYS A 2 9.880 -0.929 10.845 1.00 0.00 C ATOM 17 CD LYS A 2 10.774 -0.536 12.020 1.00 0.00 C ATOM 18 CE LYS A 2 10.026 0.369 13.001 1.00 0.00 C ATOM 19 NZ LYS A 2 9.791 1.701 12.400 1.00 0.00 N ATOM 0 HA LYS A 2 8.651 -3.142 10.694 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.494 -2.264 10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.320 -2.038 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.808 -0.097 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.871 -1.132 11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.117 -1.433 12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.661 -0.022 11.650 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.074 -0.087 13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.603 0.475 13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.282 2.303 13.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.703 2.141 12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.222 1.596 11.536 1.00 0.00 H new ATOM 33 N LYS A 3 8.681 -4.620 8.740 1.00 0.00 N ATOM 34 CA LYS A 3 8.582 -5.642 7.712 1.00 0.00 C ATOM 35 C LYS A 3 7.305 -5.419 6.898 1.00 0.00 C ATOM 36 O LYS A 3 6.419 -6.272 6.881 1.00 0.00 O ATOM 37 CB LYS A 3 8.680 -7.037 8.331 1.00 0.00 C ATOM 38 CG LYS A 3 8.543 -8.123 7.263 1.00 0.00 C ATOM 39 CD LYS A 3 9.915 -8.628 6.813 1.00 0.00 C ATOM 40 CE LYS A 3 9.950 -10.157 6.767 1.00 0.00 C ATOM 41 NZ LYS A 3 11.326 -10.638 6.519 1.00 0.00 N ATOM 0 H LYS A 3 7.890 -3.978 8.781 1.00 0.00 H new ATOM 0 HA LYS A 3 9.420 -5.567 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.636 -7.145 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.900 -7.161 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.958 -8.954 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.998 -7.728 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.149 -8.226 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.682 -8.264 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.581 -10.563 7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.286 -10.518 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.331 -11.678 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.665 -10.266 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.951 -10.310 7.282 1.00 0.00 H new ATOM 55 N ILE A 4 7.251 -4.268 6.244 1.00 0.00 N ATOM 56 CA ILE A 4 6.098 -3.922 5.431 1.00 0.00 C ATOM 57 C ILE A 4 6.159 -4.695 4.112 1.00 0.00 C ATOM 58 O ILE A 4 7.242 -5.013 3.624 1.00 0.00 O ATOM 59 CB ILE A 4 6.005 -2.405 5.252 1.00 0.00 C ATOM 60 CG1 ILE A 4 6.548 -1.673 6.480 1.00 0.00 C ATOM 61 CG2 ILE A 4 4.574 -1.980 4.918 1.00 0.00 C ATOM 62 CD1 ILE A 4 7.961 -1.146 6.224 1.00 0.00 C ATOM 0 H ILE A 4 7.988 -3.563 6.261 1.00 0.00 H new ATOM 0 HA ILE A 4 5.176 -4.218 5.931 1.00 0.00 H new ATOM 0 HB ILE A 4 6.631 -2.122 4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.888 -0.844 6.735 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.557 -2.348 7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.535 -0.898 4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.258 -2.461 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.908 -2.278 5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.323 -0.630 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.624 -1.980 5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.944 -0.452 5.383 1.00 0.00 H new ATOM 74 N GLY A 5 4.981 -4.974 3.573 1.00 0.00 N ATOM 75 CA GLY A 5 4.888 -5.702 2.318 1.00 0.00 C ATOM 76 C GLY A 5 3.786 -5.123 1.429 1.00 0.00 C ATOM 77 O GLY A 5 3.038 -4.244 1.854 1.00 0.00 O ATOM 0 H GLY A 5 4.084 -4.710 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.843 -5.656 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.684 -6.754 2.518 1.00 0.00 H new ATOM 81 N LEU A 6 3.722 -5.638 0.211 1.00 0.00 N ATOM 82 CA LEU A 6 2.726 -5.181 -0.744 1.00 0.00 C ATOM 83 C LEU A 6 1.940 -6.384 -1.270 1.00 0.00 C ATOM 84 O LEU A 6 2.506 -7.265 -1.916 1.00 0.00 O ATOM 85 CB LEU A 6 3.382 -4.346 -1.846 1.00 0.00 C ATOM 86 CG LEU A 6 4.694 -3.654 -1.471 1.00 0.00 C ATOM 87 CD1 LEU A 6 5.892 -4.382 -2.086 1.00 0.00 C ATOM 88 CD2 LEU A 6 4.664 -2.174 -1.856 1.00 0.00 C ATOM 0 H LEU A 6 4.344 -6.368 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 6 2.009 -4.519 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.568 -4.993 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.672 -3.585 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 6 4.808 -3.702 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.812 -3.870 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.921 -5.408 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.797 -4.386 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.609 -1.707 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.516 -2.081 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.846 -1.678 -1.333 1.00 0.00 H new ATOM 100 N PHE A 7 0.650 -6.383 -0.974 1.00 0.00 N ATOM 101 CA PHE A 7 -0.219 -7.463 -1.409 1.00 0.00 C ATOM 102 C PHE A 7 -1.452 -6.918 -2.132 1.00 0.00 C ATOM 103 O PHE A 7 -2.264 -6.211 -1.537 1.00 0.00 O ATOM 104 CB PHE A 7 -0.670 -8.210 -0.152 1.00 0.00 C ATOM 105 CG PHE A 7 0.376 -9.180 0.404 1.00 0.00 C ATOM 106 CD1 PHE A 7 1.589 -8.716 0.807 1.00 0.00 C ATOM 107 CD2 PHE A 7 0.092 -10.506 0.493 1.00 0.00 C ATOM 108 CE1 PHE A 7 2.558 -9.615 1.323 1.00 0.00 C ATOM 109 CE2 PHE A 7 1.061 -11.407 1.008 1.00 0.00 C ATOM 110 CZ PHE A 7 2.273 -10.943 1.412 1.00 0.00 C ATOM 0 H PHE A 7 0.184 -5.651 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 7 0.316 -8.114 -2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.923 -7.483 0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.581 -8.764 -0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.815 -7.662 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.871 -10.875 0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.521 -9.246 1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.835 -12.461 1.079 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.010 -11.628 1.804 1.00 0.00 H new ATOM 120 N TYR A 8 -1.553 -7.267 -3.407 1.00 0.00 N ATOM 121 CA TYR A 8 -2.673 -6.821 -4.218 1.00 0.00 C ATOM 122 C TYR A 8 -3.418 -8.011 -4.827 1.00 0.00 C ATOM 123 O TYR A 8 -3.044 -9.161 -4.604 1.00 0.00 O ATOM 124 CB TYR A 8 -2.069 -5.982 -5.345 1.00 0.00 C ATOM 125 CG TYR A 8 -0.706 -6.480 -5.830 1.00 0.00 C ATOM 126 CD1 TYR A 8 0.406 -6.336 -5.026 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.589 -7.072 -7.071 1.00 0.00 C ATOM 128 CE1 TYR A 8 1.689 -6.804 -5.482 1.00 0.00 C ATOM 129 CE2 TYR A 8 0.695 -7.541 -7.527 1.00 0.00 C ATOM 130 CZ TYR A 8 1.771 -7.383 -6.711 1.00 0.00 C ATOM 131 OH TYR A 8 2.983 -7.826 -7.141 1.00 0.00 O ATOM 0 H TYR A 8 -0.878 -7.853 -3.898 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.385 -6.259 -3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.761 -5.971 -6.187 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.967 -4.952 -5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.314 -5.872 -4.055 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.460 -7.184 -7.700 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.567 -6.698 -4.862 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.800 -8.008 -8.495 1.00 0.00 H new ATOM 0 HH TYR A 8 2.890 -8.217 -8.035 1.00 0.00 H new ATOM 141 N GLY A 9 -4.459 -7.693 -5.582 1.00 0.00 N ATOM 142 CA GLY A 9 -5.259 -8.722 -6.226 1.00 0.00 C ATOM 143 C GLY A 9 -5.159 -8.622 -7.749 1.00 0.00 C ATOM 144 O GLY A 9 -5.811 -9.378 -8.467 1.00 0.00 O ATOM 0 H GLY A 9 -4.767 -6.738 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.923 -9.706 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.300 -8.623 -5.919 1.00 0.00 H new ATOM 252 N SER A 17 11.387 -0.747 -12.066 1.00 0.00 N ATOM 253 CA SER A 17 11.363 -1.406 -10.771 1.00 0.00 C ATOM 254 C SER A 17 10.976 -0.406 -9.680 1.00 0.00 C ATOM 255 O SER A 17 11.826 0.043 -8.914 1.00 0.00 O ATOM 256 CB SER A 17 12.718 -2.041 -10.453 1.00 0.00 C ATOM 257 OG SER A 17 12.689 -3.459 -10.591 1.00 0.00 O ATOM 0 HA SER A 17 10.618 -2.201 -10.805 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.477 -1.628 -11.117 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.010 -1.782 -9.435 1.00 0.00 H new ATOM 0 HG SER A 17 13.573 -3.826 -10.381 1.00 0.00 H new ATOM 263 N VAL A 18 9.691 -0.084 -9.646 1.00 0.00 N ATOM 264 CA VAL A 18 9.180 0.853 -8.662 1.00 0.00 C ATOM 265 C VAL A 18 9.378 0.274 -7.260 1.00 0.00 C ATOM 266 O VAL A 18 9.632 1.011 -6.309 1.00 0.00 O ATOM 267 CB VAL A 18 7.720 1.191 -8.968 1.00 0.00 C ATOM 268 CG1 VAL A 18 6.803 0.012 -8.632 1.00 0.00 C ATOM 269 CG2 VAL A 18 7.281 2.455 -8.226 1.00 0.00 C ATOM 0 H VAL A 18 8.989 -0.456 -10.285 1.00 0.00 H new ATOM 0 HA VAL A 18 9.733 1.791 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 18 7.639 1.386 -10.037 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.771 0.278 -8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.093 -0.855 -9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.892 -0.227 -7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.239 2.672 -8.462 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.386 2.301 -7.152 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.905 3.294 -8.535 1.00 0.00 H new ATOM 279 N ALA A 19 9.255 -1.043 -7.175 1.00 0.00 N ATOM 280 CA ALA A 19 9.417 -1.730 -5.906 1.00 0.00 C ATOM 281 C ALA A 19 10.768 -1.352 -5.296 1.00 0.00 C ATOM 282 O ALA A 19 10.910 -1.302 -4.075 1.00 0.00 O ATOM 283 CB ALA A 19 9.275 -3.238 -6.120 1.00 0.00 C ATOM 0 H ALA A 19 9.045 -1.652 -7.966 1.00 0.00 H new ATOM 0 HA ALA A 19 8.641 -1.426 -5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.397 -3.754 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.288 -3.456 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.039 -3.580 -6.818 1.00 0.00 H new ATOM 289 N GLU A 20 11.728 -1.097 -6.174 1.00 0.00 N ATOM 290 CA GLU A 20 13.062 -0.726 -5.736 1.00 0.00 C ATOM 291 C GLU A 20 13.064 0.705 -5.194 1.00 0.00 C ATOM 292 O GLU A 20 13.634 0.971 -4.136 1.00 0.00 O ATOM 293 CB GLU A 20 14.075 -0.882 -6.873 1.00 0.00 C ATOM 294 CG GLU A 20 14.725 -2.267 -6.842 1.00 0.00 C ATOM 295 CD GLU A 20 16.245 -2.163 -6.992 1.00 0.00 C ATOM 296 OE1 GLU A 20 16.916 -1.589 -6.122 1.00 0.00 O ATOM 297 OE2 GLU A 20 16.725 -2.705 -8.060 1.00 0.00 O ATOM 0 H GLU A 20 11.608 -1.140 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 20 13.360 -1.399 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.578 -0.731 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.843 -0.114 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.482 -2.766 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.318 -2.882 -7.645 1.00 0.00 H new ATOM 305 N ILE A 21 12.421 1.589 -5.942 1.00 0.00 N ATOM 306 CA ILE A 21 12.342 2.985 -5.548 1.00 0.00 C ATOM 307 C ILE A 21 11.643 3.089 -4.191 1.00 0.00 C ATOM 308 O ILE A 21 12.182 3.680 -3.256 1.00 0.00 O ATOM 309 CB ILE A 21 11.674 3.814 -6.648 1.00 0.00 C ATOM 310 CG1 ILE A 21 12.607 3.985 -7.850 1.00 0.00 C ATOM 311 CG2 ILE A 21 11.190 5.159 -6.103 1.00 0.00 C ATOM 312 CD1 ILE A 21 12.721 2.681 -8.644 1.00 0.00 C ATOM 0 H ILE A 21 11.950 1.366 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 21 13.341 3.404 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 21 10.795 3.272 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 21 12.231 4.778 -8.497 1.00 0.00 H new ATOM 0 HG13 ILE A 21 13.595 4.294 -7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 21 10.719 5.728 -6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 21 10.467 4.989 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 21 12.039 5.719 -5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 21 13.389 2.829 -9.492 1.00 0.00 H new ATOM 0 HD12 ILE A 21 13.120 1.897 -8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 21 11.735 2.388 -9.005 1.00 0.00 H new ATOM 324 N ILE A 22 10.455 2.506 -4.126 1.00 0.00 N ATOM 325 CA ILE A 22 9.679 2.528 -2.898 1.00 0.00 C ATOM 326 C ILE A 22 10.481 1.856 -1.781 1.00 0.00 C ATOM 327 O ILE A 22 10.393 2.257 -0.623 1.00 0.00 O ATOM 328 CB ILE A 22 8.300 1.902 -3.126 1.00 0.00 C ATOM 329 CG1 ILE A 22 7.573 1.680 -1.798 1.00 0.00 C ATOM 330 CG2 ILE A 22 8.411 0.612 -3.941 1.00 0.00 C ATOM 331 CD1 ILE A 22 7.420 2.994 -1.030 1.00 0.00 C ATOM 0 H ILE A 22 10.011 2.016 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 22 9.491 3.555 -2.584 1.00 0.00 H new ATOM 0 HB ILE A 22 7.700 2.600 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.590 1.248 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.126 0.963 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.418 0.188 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.859 0.831 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.035 -0.104 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.900 2.808 -0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.405 3.411 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.845 3.701 -1.629 1.00 0.00 H new ATOM 343 N ARG A 23 11.245 0.846 -2.169 1.00 0.00 N ATOM 344 CA ARG A 23 12.062 0.115 -1.216 1.00 0.00 C ATOM 345 C ARG A 23 13.110 1.042 -0.595 1.00 0.00 C ATOM 346 O ARG A 23 13.201 1.149 0.628 1.00 0.00 O ATOM 347 CB ARG A 23 12.770 -1.064 -1.886 1.00 0.00 C ATOM 348 CG ARG A 23 13.725 -1.756 -0.911 1.00 0.00 C ATOM 349 CD ARG A 23 15.183 -1.458 -1.269 1.00 0.00 C ATOM 350 NE ARG A 23 15.981 -2.703 -1.218 1.00 0.00 N ATOM 351 CZ ARG A 23 17.288 -2.779 -1.547 1.00 0.00 C ATOM 352 NH1 ARG A 23 17.956 -1.680 -1.956 1.00 0.00 N ATOM 353 NH2 ARG A 23 17.903 -3.943 -1.463 1.00 0.00 N ATOM 0 H ARG A 23 11.315 0.516 -3.132 1.00 0.00 H new ATOM 0 HA ARG A 23 11.401 -0.267 -0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.031 -1.780 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.324 -0.713 -2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.520 -1.420 0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.554 -2.832 -0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.239 -1.021 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.594 -0.724 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 23 15.514 -3.558 -0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 23 17.473 -0.784 -2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.944 -1.746 -2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.391 -4.769 -1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.890 -4.017 -1.708 1.00 0.00 H new ATOM 367 N ASP A 24 13.871 1.689 -1.464 1.00 0.00 N ATOM 368 CA ASP A 24 14.907 2.603 -1.016 1.00 0.00 C ATOM 369 C ASP A 24 14.259 3.803 -0.323 1.00 0.00 C ATOM 370 O ASP A 24 14.856 4.410 0.564 1.00 0.00 O ATOM 371 CB ASP A 24 15.729 3.127 -2.196 1.00 0.00 C ATOM 372 CG ASP A 24 17.052 2.399 -2.436 1.00 0.00 C ATOM 373 OD1 ASP A 24 17.175 1.583 -3.363 1.00 0.00 O ATOM 374 OD2 ASP A 24 17.998 2.700 -1.612 1.00 0.00 O ATOM 0 H ASP A 24 13.791 1.598 -2.477 1.00 0.00 H new ATOM 0 HA ASP A 24 15.561 2.061 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.124 3.057 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.938 4.184 -2.033 1.00 0.00 H new ATOM 380 N GLU A 25 13.043 4.109 -0.754 1.00 0.00 N ATOM 381 CA GLU A 25 12.306 5.225 -0.186 1.00 0.00 C ATOM 382 C GLU A 25 11.910 4.918 1.260 1.00 0.00 C ATOM 383 O GLU A 25 12.136 5.730 2.155 1.00 0.00 O ATOM 384 CB GLU A 25 11.075 5.557 -1.033 1.00 0.00 C ATOM 385 CG GLU A 25 11.297 6.836 -1.843 1.00 0.00 C ATOM 386 CD GLU A 25 11.755 7.983 -0.940 1.00 0.00 C ATOM 387 OE1 GLU A 25 12.735 8.673 -1.261 1.00 0.00 O ATOM 388 OE2 GLU A 25 11.054 8.151 0.130 1.00 0.00 O ATOM 0 H GLU A 25 12.550 3.603 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 25 12.954 6.101 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.858 4.728 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.206 5.678 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.044 6.656 -2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.373 7.114 -2.351 1.00 0.00 H new ATOM 396 N PHE A 26 11.326 3.742 1.443 1.00 0.00 N ATOM 397 CA PHE A 26 10.896 3.318 2.764 1.00 0.00 C ATOM 398 C PHE A 26 12.007 3.525 3.794 1.00 0.00 C ATOM 399 O PHE A 26 11.740 3.626 4.990 1.00 0.00 O ATOM 400 CB PHE A 26 10.575 1.825 2.672 1.00 0.00 C ATOM 401 CG PHE A 26 9.084 1.501 2.781 1.00 0.00 C ATOM 402 CD1 PHE A 26 8.508 1.349 4.005 1.00 0.00 C ATOM 403 CD2 PHE A 26 8.332 1.368 1.656 1.00 0.00 C ATOM 404 CE1 PHE A 26 7.124 1.048 4.106 1.00 0.00 C ATOM 405 CE2 PHE A 26 6.949 1.068 1.758 1.00 0.00 C ATOM 406 CZ PHE A 26 6.374 0.914 2.980 1.00 0.00 C ATOM 0 H PHE A 26 11.141 3.070 0.698 1.00 0.00 H new ATOM 0 HA PHE A 26 10.031 3.902 3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.951 1.441 1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.109 1.300 3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.104 1.457 4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.788 1.491 0.685 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.667 0.926 5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.353 0.962 0.864 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.321 0.685 3.056 1.00 0.00 H new ATOM 416 N GLY A 27 13.233 3.584 3.293 1.00 0.00 N ATOM 417 CA GLY A 27 14.387 3.776 4.155 1.00 0.00 C ATOM 418 C GLY A 27 15.121 2.455 4.393 1.00 0.00 C ATOM 419 O GLY A 27 16.346 2.396 4.301 1.00 0.00 O ATOM 0 H GLY A 27 13.452 3.502 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.067 4.497 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.067 4.195 5.109 1.00 0.00 H new ATOM 423 N ASN A 28 14.341 1.426 4.690 1.00 0.00 N ATOM 424 CA ASN A 28 14.902 0.110 4.941 1.00 0.00 C ATOM 425 C ASN A 28 14.689 -0.773 3.708 1.00 0.00 C ATOM 426 O ASN A 28 14.252 -0.293 2.664 1.00 0.00 O ATOM 427 CB ASN A 28 14.215 -0.564 6.130 1.00 0.00 C ATOM 428 CG ASN A 28 15.057 -0.426 7.399 1.00 0.00 C ATOM 429 OD1 ASN A 28 15.662 0.599 7.665 1.00 0.00 O ATOM 430 ND2 ASN A 28 15.061 -1.513 8.166 1.00 0.00 N ATOM 0 H ASN A 28 13.325 1.477 4.762 1.00 0.00 H new ATOM 0 HA ASN A 28 15.963 0.231 5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.234 -0.116 6.290 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.052 -1.619 5.910 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.593 -1.521 9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.532 -2.338 7.884 1.00 0.00 H new ATOM 437 N ASP A 29 15.007 -2.048 3.872 1.00 0.00 N ATOM 438 CA ASP A 29 14.857 -3.002 2.787 1.00 0.00 C ATOM 439 C ASP A 29 13.472 -3.647 2.866 1.00 0.00 C ATOM 440 O ASP A 29 13.085 -4.410 1.983 1.00 0.00 O ATOM 441 CB ASP A 29 15.902 -4.116 2.883 1.00 0.00 C ATOM 442 CG ASP A 29 17.337 -3.684 2.576 1.00 0.00 C ATOM 443 OD1 ASP A 29 17.794 -3.757 1.426 1.00 0.00 O ATOM 444 OD2 ASP A 29 18.006 -3.252 3.591 1.00 0.00 O ATOM 0 H ASP A 29 15.368 -2.443 4.740 1.00 0.00 H new ATOM 0 HA ASP A 29 14.987 -2.465 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.872 -4.536 3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.624 -4.915 2.195 1.00 0.00 H new ATOM 450 N VAL A 30 12.761 -3.314 3.935 1.00 0.00 N ATOM 451 CA VAL A 30 11.426 -3.851 4.142 1.00 0.00 C ATOM 452 C VAL A 30 10.617 -3.709 2.851 1.00 0.00 C ATOM 453 O VAL A 30 10.099 -2.635 2.554 1.00 0.00 O ATOM 454 CB VAL A 30 10.766 -3.162 5.339 1.00 0.00 C ATOM 455 CG1 VAL A 30 11.127 -3.869 6.646 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.143 -1.680 5.395 1.00 0.00 C ATOM 0 H VAL A 30 13.084 -2.680 4.666 1.00 0.00 H new ATOM 0 HA VAL A 30 11.474 -4.914 4.380 1.00 0.00 H new ATOM 0 HB VAL A 30 9.686 -3.228 5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.645 -3.359 7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.785 -4.903 6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.208 -3.849 6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.661 -1.214 6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.225 -1.583 5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.812 -1.186 4.482 1.00 0.00 H new ATOM 466 N VAL A 31 10.538 -4.811 2.119 1.00 0.00 N ATOM 467 CA VAL A 31 9.801 -4.824 0.866 1.00 0.00 C ATOM 468 C VAL A 31 9.359 -6.254 0.555 1.00 0.00 C ATOM 469 O VAL A 31 10.004 -6.950 -0.229 1.00 0.00 O ATOM 470 CB VAL A 31 10.648 -4.203 -0.246 1.00 0.00 C ATOM 471 CG1 VAL A 31 10.251 -4.762 -1.615 1.00 0.00 C ATOM 472 CG2 VAL A 31 10.548 -2.677 -0.226 1.00 0.00 C ATOM 0 H VAL A 31 10.971 -5.700 2.369 1.00 0.00 H new ATOM 0 HA VAL A 31 8.900 -4.216 0.946 1.00 0.00 H new ATOM 0 HB VAL A 31 11.689 -4.472 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.868 -4.304 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.400 -5.842 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.202 -4.539 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.160 -2.262 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.510 -2.378 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.903 -2.302 0.734 1.00 0.00 H new ATOM 482 N THR A 32 8.263 -6.652 1.183 1.00 0.00 N ATOM 483 CA THR A 32 7.727 -7.988 0.983 1.00 0.00 C ATOM 484 C THR A 32 6.443 -7.928 0.154 1.00 0.00 C ATOM 485 O THR A 32 5.372 -7.631 0.681 1.00 0.00 O ATOM 486 CB THR A 32 7.533 -8.631 2.358 1.00 0.00 C ATOM 487 OG1 THR A 32 6.549 -7.815 2.988 1.00 0.00 O ATOM 488 CG2 THR A 32 8.767 -8.485 3.251 1.00 0.00 C ATOM 0 H THR A 32 7.731 -6.072 1.832 1.00 0.00 H new ATOM 0 HA THR A 32 8.417 -8.610 0.412 1.00 0.00 H new ATOM 0 HB THR A 32 7.297 -9.688 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.173 -8.291 3.757 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.577 -8.958 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.621 -8.965 2.773 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.983 -7.427 3.402 1.00 0.00 H new ATOM 496 N LEU A 33 6.592 -8.217 -1.132 1.00 0.00 N ATOM 497 CA LEU A 33 5.457 -8.200 -2.039 1.00 0.00 C ATOM 498 C LEU A 33 4.893 -9.617 -2.166 1.00 0.00 C ATOM 499 O LEU A 33 5.529 -10.583 -1.750 1.00 0.00 O ATOM 500 CB LEU A 33 5.850 -7.571 -3.376 1.00 0.00 C ATOM 501 CG LEU A 33 7.234 -7.942 -3.912 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.274 -7.853 -5.438 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.323 -7.088 -3.260 1.00 0.00 C ATOM 0 H LEU A 33 7.481 -8.464 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 33 4.659 -7.573 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.106 -7.854 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.801 -6.487 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 33 7.435 -8.979 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.269 -8.122 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.540 -8.539 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.041 -6.835 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.296 -7.373 -3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.137 -6.036 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.313 -7.246 -2.182 1.00 0.00 H new ATOM 515 N HIS A 34 3.703 -9.694 -2.747 1.00 0.00 N ATOM 516 CA HIS A 34 3.046 -10.977 -2.934 1.00 0.00 C ATOM 517 C HIS A 34 3.743 -11.753 -4.053 1.00 0.00 C ATOM 518 O HIS A 34 3.393 -12.899 -4.330 1.00 0.00 O ATOM 519 CB HIS A 34 1.548 -10.786 -3.187 1.00 0.00 C ATOM 520 CG HIS A 34 1.174 -10.745 -4.649 1.00 0.00 C ATOM 521 ND1 HIS A 34 2.004 -10.215 -5.622 1.00 0.00 N ATOM 522 CD2 HIS A 34 0.051 -11.177 -5.295 1.00 0.00 C ATOM 523 CE1 HIS A 34 1.397 -10.325 -6.795 1.00 0.00 C ATOM 524 NE2 HIS A 34 0.187 -10.920 -6.589 1.00 0.00 N ATOM 0 H HIS A 34 3.179 -8.891 -3.093 1.00 0.00 H new ATOM 0 HA HIS A 34 3.130 -11.570 -2.023 1.00 0.00 H new ATOM 0 HB2 HIS A 34 1.002 -11.597 -2.705 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.225 -9.859 -2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.803 -11.648 -4.831 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.791 -10.001 -7.747 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -0.501 -11.132 -7.312 1.00 0.00 H new ATOM 533 N ASP A 35 4.717 -11.096 -4.667 1.00 0.00 N ATOM 534 CA ASP A 35 5.466 -11.710 -5.750 1.00 0.00 C ATOM 535 C ASP A 35 5.712 -13.184 -5.422 1.00 0.00 C ATOM 536 O ASP A 35 5.792 -14.019 -6.321 1.00 0.00 O ATOM 537 CB ASP A 35 6.825 -11.032 -5.932 1.00 0.00 C ATOM 538 CG ASP A 35 7.090 -10.482 -7.336 1.00 0.00 C ATOM 539 OD1 ASP A 35 6.849 -9.297 -7.614 1.00 0.00 O ATOM 540 OD2 ASP A 35 7.570 -11.336 -8.174 1.00 0.00 O ATOM 0 H ASP A 35 5.004 -10.145 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 35 4.885 -11.604 -6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.905 -10.214 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.608 -11.749 -5.685 1.00 0.00 H new ATOM 546 N VAL A 36 5.827 -13.459 -4.131 1.00 0.00 N ATOM 547 CA VAL A 36 6.063 -14.818 -3.674 1.00 0.00 C ATOM 548 C VAL A 36 4.724 -15.545 -3.535 1.00 0.00 C ATOM 549 O VAL A 36 4.458 -16.173 -2.512 1.00 0.00 O ATOM 550 CB VAL A 36 6.870 -14.799 -2.374 1.00 0.00 C ATOM 551 CG1 VAL A 36 8.338 -14.463 -2.645 1.00 0.00 C ATOM 552 CG2 VAL A 36 6.262 -13.824 -1.364 1.00 0.00 C ATOM 0 H VAL A 36 5.761 -12.764 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 36 6.657 -15.368 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 36 6.829 -15.798 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.889 -14.456 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.766 -15.212 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.406 -13.481 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.855 -13.830 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.257 -12.819 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.240 -14.127 -1.136 1.00 0.00 H new ATOM 562 N SER A 37 3.917 -15.434 -4.579 1.00 0.00 N ATOM 563 CA SER A 37 2.611 -16.073 -4.587 1.00 0.00 C ATOM 564 C SER A 37 2.765 -17.578 -4.358 1.00 0.00 C ATOM 565 O SER A 37 1.798 -18.258 -4.017 1.00 0.00 O ATOM 566 CB SER A 37 1.877 -15.808 -5.903 1.00 0.00 C ATOM 567 OG SER A 37 0.523 -16.249 -5.856 1.00 0.00 O ATOM 0 H SER A 37 4.141 -14.911 -5.426 1.00 0.00 H new ATOM 0 HA SER A 37 2.016 -15.648 -3.779 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.904 -14.741 -6.125 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.396 -16.316 -6.716 1.00 0.00 H new ATOM 0 HG SER A 37 0.088 -16.061 -6.714 1.00 0.00 H new ATOM 573 N GLN A 38 3.985 -18.053 -4.555 1.00 0.00 N ATOM 574 CA GLN A 38 4.277 -19.465 -4.373 1.00 0.00 C ATOM 575 C GLN A 38 4.240 -19.827 -2.888 1.00 0.00 C ATOM 576 O GLN A 38 4.360 -20.998 -2.529 1.00 0.00 O ATOM 577 CB GLN A 38 5.628 -19.830 -4.995 1.00 0.00 C ATOM 578 CG GLN A 38 5.756 -21.342 -5.175 1.00 0.00 C ATOM 579 CD GLN A 38 7.067 -21.857 -4.576 1.00 0.00 C ATOM 580 OE1 GLN A 38 7.802 -22.617 -5.185 1.00 0.00 O ATOM 581 NE2 GLN A 38 7.317 -21.401 -3.352 1.00 0.00 N ATOM 0 H GLN A 38 4.784 -17.485 -4.839 1.00 0.00 H new ATOM 0 HA GLN A 38 3.510 -20.045 -4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.734 -19.335 -5.960 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.435 -19.466 -4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.913 -21.841 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.714 -21.590 -6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.659 -20.767 -2.900 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.167 -21.686 -2.866 1.00 0.00 H new ATOM 590 N ALA A 39 4.073 -18.803 -2.065 1.00 0.00 N ATOM 591 CA ALA A 39 4.019 -19.001 -0.626 1.00 0.00 C ATOM 592 C ALA A 39 2.566 -18.911 -0.158 1.00 0.00 C ATOM 593 O ALA A 39 1.648 -18.854 -0.975 1.00 0.00 O ATOM 594 CB ALA A 39 4.920 -17.974 0.064 1.00 0.00 C ATOM 0 H ALA A 39 3.973 -17.834 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 39 4.390 -19.991 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.880 -18.122 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.946 -18.100 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.576 -16.968 -0.177 1.00 0.00 H new ATOM 600 N GLU A 40 2.401 -18.899 1.157 1.00 0.00 N ATOM 601 CA GLU A 40 1.074 -18.817 1.744 1.00 0.00 C ATOM 602 C GLU A 40 0.838 -17.422 2.329 1.00 0.00 C ATOM 603 O GLU A 40 1.747 -16.595 2.356 1.00 0.00 O ATOM 604 CB GLU A 40 0.877 -19.898 2.808 1.00 0.00 C ATOM 605 CG GLU A 40 0.041 -21.058 2.265 1.00 0.00 C ATOM 606 CD GLU A 40 -0.485 -21.935 3.401 1.00 0.00 C ATOM 607 OE1 GLU A 40 0.175 -22.062 4.444 1.00 0.00 O ATOM 608 OE2 GLU A 40 -1.625 -22.497 3.175 1.00 0.00 O ATOM 0 H GLU A 40 3.164 -18.945 1.832 1.00 0.00 H new ATOM 0 HA GLU A 40 0.339 -18.990 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.847 -20.268 3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.385 -19.468 3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.796 -20.668 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.646 -21.660 1.587 1.00 0.00 H new ATOM 616 N VAL A 41 -0.386 -17.207 2.785 1.00 0.00 N ATOM 617 CA VAL A 41 -0.754 -15.927 3.367 1.00 0.00 C ATOM 618 C VAL A 41 0.044 -15.709 4.654 1.00 0.00 C ATOM 619 O VAL A 41 0.064 -14.606 5.197 1.00 0.00 O ATOM 620 CB VAL A 41 -2.267 -15.867 3.586 1.00 0.00 C ATOM 621 CG1 VAL A 41 -3.020 -16.383 2.357 1.00 0.00 C ATOM 622 CG2 VAL A 41 -2.672 -16.642 4.841 1.00 0.00 C ATOM 0 H VAL A 41 -1.137 -17.897 2.764 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.505 -15.113 2.687 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.542 -14.823 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.093 -16.330 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.768 -15.770 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.736 -17.417 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.752 -16.583 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.376 -17.686 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.176 -16.211 5.711 1.00 0.00 H new ATOM 632 N THR A 42 0.685 -16.779 5.104 1.00 0.00 N ATOM 633 CA THR A 42 1.483 -16.718 6.316 1.00 0.00 C ATOM 634 C THR A 42 2.520 -15.597 6.216 1.00 0.00 C ATOM 635 O THR A 42 2.892 -15.000 7.225 1.00 0.00 O ATOM 636 CB THR A 42 2.101 -18.099 6.545 1.00 0.00 C ATOM 637 OG1 THR A 42 2.910 -17.931 7.705 1.00 0.00 O ATOM 638 CG2 THR A 42 3.099 -18.482 5.449 1.00 0.00 C ATOM 0 H THR A 42 0.667 -17.692 4.650 1.00 0.00 H new ATOM 0 HA THR A 42 0.869 -16.473 7.182 1.00 0.00 H new ATOM 0 HB THR A 42 1.309 -18.846 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.347 -18.780 7.925 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.508 -19.470 5.659 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.592 -18.497 4.484 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.908 -17.752 5.423 1.00 0.00 H new ATOM 646 N ASP A 43 2.955 -15.344 4.991 1.00 0.00 N ATOM 647 CA ASP A 43 3.941 -14.305 4.747 1.00 0.00 C ATOM 648 C ASP A 43 3.425 -12.977 5.304 1.00 0.00 C ATOM 649 O ASP A 43 4.110 -12.323 6.089 1.00 0.00 O ATOM 650 CB ASP A 43 4.189 -14.124 3.247 1.00 0.00 C ATOM 651 CG ASP A 43 5.244 -15.056 2.649 1.00 0.00 C ATOM 652 OD1 ASP A 43 4.942 -16.192 2.254 1.00 0.00 O ATOM 653 OD2 ASP A 43 6.437 -14.567 2.595 1.00 0.00 O ATOM 0 H ASP A 43 2.643 -15.840 4.156 1.00 0.00 H new ATOM 0 HA ASP A 43 4.870 -14.600 5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.249 -14.277 2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.492 -13.093 3.066 1.00 0.00 H new ATOM 659 N LEU A 44 2.224 -12.620 4.878 1.00 0.00 N ATOM 660 CA LEU A 44 1.609 -11.381 5.324 1.00 0.00 C ATOM 661 C LEU A 44 1.070 -11.568 6.744 1.00 0.00 C ATOM 662 O LEU A 44 0.913 -10.598 7.486 1.00 0.00 O ATOM 663 CB LEU A 44 0.552 -10.915 4.322 1.00 0.00 C ATOM 664 CG LEU A 44 -0.601 -11.887 4.062 1.00 0.00 C ATOM 665 CD1 LEU A 44 -1.545 -11.952 5.263 1.00 0.00 C ATOM 666 CD2 LEU A 44 -1.338 -11.530 2.770 1.00 0.00 C ATOM 0 H LEU A 44 1.659 -13.167 4.228 1.00 0.00 H new ATOM 0 HA LEU A 44 2.349 -10.582 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.134 -9.973 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.046 -10.707 3.373 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.183 -12.885 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.355 -12.650 5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.994 -12.290 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.959 -10.962 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.153 -12.236 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.743 -10.521 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.645 -11.578 1.930 1.00 0.00 H new ATOM 678 N ASN A 45 0.801 -12.821 7.081 1.00 0.00 N ATOM 679 CA ASN A 45 0.282 -13.147 8.398 1.00 0.00 C ATOM 680 C ASN A 45 1.288 -12.708 9.462 1.00 0.00 C ATOM 681 O ASN A 45 0.906 -12.347 10.574 1.00 0.00 O ATOM 682 CB ASN A 45 0.063 -14.653 8.547 1.00 0.00 C ATOM 683 CG ASN A 45 -0.770 -14.968 9.790 1.00 0.00 C ATOM 684 OD1 ASN A 45 -1.860 -14.455 9.986 1.00 0.00 O ATOM 685 ND2 ASN A 45 -0.197 -15.836 10.620 1.00 0.00 N ATOM 0 H ASN A 45 0.933 -13.623 6.464 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.670 -12.630 8.522 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.440 -15.040 7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.026 -15.159 8.613 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.672 -16.109 11.480 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.718 -16.228 10.396 1.00 0.00 H new ATOM 692 N ASP A 46 2.558 -12.754 9.084 1.00 0.00 N ATOM 693 CA ASP A 46 3.623 -12.365 9.993 1.00 0.00 C ATOM 694 C ASP A 46 3.646 -10.841 10.124 1.00 0.00 C ATOM 695 O ASP A 46 3.769 -10.312 11.228 1.00 0.00 O ATOM 696 CB ASP A 46 4.988 -12.814 9.465 1.00 0.00 C ATOM 697 CG ASP A 46 5.348 -14.271 9.762 1.00 0.00 C ATOM 698 OD1 ASP A 46 5.319 -15.131 8.868 1.00 0.00 O ATOM 699 OD2 ASP A 46 5.676 -14.513 10.985 1.00 0.00 O ATOM 0 H ASP A 46 2.873 -13.054 8.161 1.00 0.00 H new ATOM 0 HA ASP A 46 3.434 -12.839 10.956 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.011 -12.662 8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.756 -12.171 9.894 1.00 0.00 H new ATOM 705 N TYR A 47 3.523 -10.178 8.984 1.00 0.00 N ATOM 706 CA TYR A 47 3.528 -8.726 8.959 1.00 0.00 C ATOM 707 C TYR A 47 2.118 -8.178 8.725 1.00 0.00 C ATOM 708 O TYR A 47 1.547 -8.359 7.651 1.00 0.00 O ATOM 709 CB TYR A 47 4.419 -8.328 7.780 1.00 0.00 C ATOM 710 CG TYR A 47 5.257 -9.477 7.217 1.00 0.00 C ATOM 711 CD1 TYR A 47 6.034 -10.242 8.063 1.00 0.00 C ATOM 712 CD2 TYR A 47 5.236 -9.748 5.864 1.00 0.00 C ATOM 713 CE1 TYR A 47 6.823 -11.324 7.533 1.00 0.00 C ATOM 714 CE2 TYR A 47 6.025 -10.830 5.334 1.00 0.00 C ATOM 715 CZ TYR A 47 6.780 -11.565 6.195 1.00 0.00 C ATOM 716 OH TYR A 47 7.525 -12.585 5.694 1.00 0.00 O ATOM 0 H TYR A 47 3.419 -10.620 8.071 1.00 0.00 H new ATOM 0 HA TYR A 47 3.886 -8.326 9.908 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.792 -7.925 6.984 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.086 -7.527 8.097 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.050 -10.029 9.122 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.628 -9.149 5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.435 -11.931 8.184 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.018 -11.053 4.277 1.00 0.00 H new ATOM 0 HH TYR A 47 7.394 -12.640 4.724 1.00 0.00 H new ATOM 726 N GLN A 48 1.598 -7.517 9.749 1.00 0.00 N ATOM 727 CA GLN A 48 0.266 -6.941 9.670 1.00 0.00 C ATOM 728 C GLN A 48 0.295 -5.655 8.841 1.00 0.00 C ATOM 729 O GLN A 48 -0.721 -4.973 8.712 1.00 0.00 O ATOM 730 CB GLN A 48 -0.304 -6.683 11.066 1.00 0.00 C ATOM 731 CG GLN A 48 0.600 -5.737 11.860 1.00 0.00 C ATOM 732 CD GLN A 48 0.866 -6.285 13.265 1.00 0.00 C ATOM 733 OE1 GLN A 48 0.612 -5.639 14.268 1.00 0.00 O ATOM 734 NE2 GLN A 48 1.390 -7.506 13.279 1.00 0.00 N ATOM 0 H GLN A 48 2.075 -7.367 10.638 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.391 -7.656 9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.302 -6.253 10.982 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.408 -7.627 11.601 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.545 -5.603 11.333 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.132 -4.755 11.931 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.578 -7.991 12.401 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.605 -7.959 14.167 1.00 0.00 H new ATOM 743 N TYR A 49 1.468 -5.361 8.301 1.00 0.00 N ATOM 744 CA TYR A 49 1.642 -4.169 7.488 1.00 0.00 C ATOM 745 C TYR A 49 1.761 -4.530 6.006 1.00 0.00 C ATOM 746 O TYR A 49 2.738 -5.153 5.592 1.00 0.00 O ATOM 747 CB TYR A 49 2.950 -3.528 7.953 1.00 0.00 C ATOM 748 CG TYR A 49 3.410 -3.986 9.337 1.00 0.00 C ATOM 749 CD1 TYR A 49 2.821 -3.460 10.470 1.00 0.00 C ATOM 750 CD2 TYR A 49 4.415 -4.925 9.456 1.00 0.00 C ATOM 751 CE1 TYR A 49 3.254 -3.891 11.775 1.00 0.00 C ATOM 752 CE2 TYR A 49 4.848 -5.356 10.760 1.00 0.00 C ATOM 753 CZ TYR A 49 4.246 -4.818 11.855 1.00 0.00 C ATOM 754 OH TYR A 49 4.655 -5.224 13.087 1.00 0.00 O ATOM 0 H TYR A 49 2.309 -5.928 8.411 1.00 0.00 H new ATOM 0 HA TYR A 49 0.788 -3.500 7.598 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.732 -3.755 7.228 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.829 -2.445 7.962 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.035 -2.725 10.378 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.877 -5.337 8.571 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.801 -3.487 12.669 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.633 -6.090 10.866 1.00 0.00 H new ATOM 0 HH TYR A 49 5.368 -5.889 12.992 1.00 0.00 H new ATOM 764 N LEU A 50 0.754 -4.122 5.248 1.00 0.00 N ATOM 765 CA LEU A 50 0.733 -4.396 3.820 1.00 0.00 C ATOM 766 C LEU A 50 0.339 -3.122 3.069 1.00 0.00 C ATOM 767 O LEU A 50 -0.169 -2.176 3.667 1.00 0.00 O ATOM 768 CB LEU A 50 -0.167 -5.595 3.516 1.00 0.00 C ATOM 769 CG LEU A 50 0.449 -6.974 3.755 1.00 0.00 C ATOM 770 CD1 LEU A 50 1.885 -7.032 3.230 1.00 0.00 C ATOM 771 CD2 LEU A 50 0.363 -7.364 5.233 1.00 0.00 C ATOM 0 H LEU A 50 -0.053 -3.604 5.595 1.00 0.00 H new ATOM 0 HA LEU A 50 1.726 -4.679 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.068 -5.511 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.479 -5.534 2.473 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.129 -7.708 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.299 -8.023 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.889 -6.829 2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.491 -6.285 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.808 -8.349 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.902 -6.632 5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.682 -7.390 5.542 1.00 0.00 H new ATOM 783 N ILE A 51 0.587 -3.141 1.767 1.00 0.00 N ATOM 784 CA ILE A 51 0.263 -2.001 0.927 1.00 0.00 C ATOM 785 C ILE A 51 -0.555 -2.475 -0.274 1.00 0.00 C ATOM 786 O ILE A 51 -0.336 -3.572 -0.787 1.00 0.00 O ATOM 787 CB ILE A 51 1.534 -1.239 0.544 1.00 0.00 C ATOM 788 CG1 ILE A 51 2.319 -0.822 1.790 1.00 0.00 C ATOM 789 CG2 ILE A 51 1.206 -0.045 -0.354 1.00 0.00 C ATOM 790 CD1 ILE A 51 3.588 -1.665 1.945 1.00 0.00 C ATOM 0 H ILE A 51 1.009 -3.928 1.274 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.355 -1.289 1.473 1.00 0.00 H new ATOM 0 HB ILE A 51 2.175 -1.908 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.585 0.233 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.692 -0.936 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.126 0.480 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.721 -0.397 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.537 0.634 0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.128 -1.349 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.317 -2.717 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.224 -1.530 1.070 1.00 0.00 H new ATOM 802 N ILE A 52 -1.482 -1.626 -0.691 1.00 0.00 N ATOM 803 CA ILE A 52 -2.336 -1.944 -1.824 1.00 0.00 C ATOM 804 C ILE A 52 -2.468 -0.711 -2.721 1.00 0.00 C ATOM 805 O ILE A 52 -2.293 0.417 -2.260 1.00 0.00 O ATOM 806 CB ILE A 52 -3.677 -2.504 -1.345 1.00 0.00 C ATOM 807 CG1 ILE A 52 -4.407 -1.491 -0.460 1.00 0.00 C ATOM 808 CG2 ILE A 52 -3.489 -3.849 -0.642 1.00 0.00 C ATOM 809 CD1 ILE A 52 -5.299 -0.573 -1.298 1.00 0.00 C ATOM 0 H ILE A 52 -1.661 -0.717 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.887 -2.731 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.306 -2.683 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.012 -2.017 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.680 -0.894 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.457 -4.225 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.040 -4.562 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.836 -3.720 0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.806 0.137 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.687 -0.030 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.040 -1.171 -1.829 1.00 0.00 H new ATOM 1105 N GLU A 72 -5.041 -14.408 0.058 1.00 0.00 N ATOM 1106 CA GLU A 72 -4.896 -12.970 0.211 1.00 0.00 C ATOM 1107 C GLU A 72 -5.144 -12.565 1.666 1.00 0.00 C ATOM 1108 O GLU A 72 -5.680 -13.349 2.450 1.00 0.00 O ATOM 1109 CB GLU A 72 -5.837 -12.219 -0.733 1.00 0.00 C ATOM 1110 CG GLU A 72 -5.072 -11.175 -1.550 1.00 0.00 C ATOM 1111 CD GLU A 72 -5.901 -9.900 -1.721 1.00 0.00 C ATOM 1112 OE1 GLU A 72 -5.403 -8.797 -1.452 1.00 0.00 O ATOM 1113 OE2 GLU A 72 -7.103 -10.085 -2.152 1.00 0.00 O ATOM 0 HA GLU A 72 -3.875 -12.698 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.325 -12.926 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.623 -11.731 -0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.131 -10.938 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.822 -11.585 -2.529 1.00 0.00 H new ATOM 1121 N LEU A 73 -4.743 -11.343 1.985 1.00 0.00 N ATOM 1122 CA LEU A 73 -4.915 -10.826 3.332 1.00 0.00 C ATOM 1123 C LEU A 73 -6.370 -11.018 3.765 1.00 0.00 C ATOM 1124 O LEU A 73 -6.657 -11.133 4.956 1.00 0.00 O ATOM 1125 CB LEU A 73 -4.435 -9.376 3.414 1.00 0.00 C ATOM 1126 CG LEU A 73 -5.328 -8.334 2.735 1.00 0.00 C ATOM 1127 CD1 LEU A 73 -5.170 -6.963 3.395 1.00 0.00 C ATOM 1128 CD2 LEU A 73 -5.058 -8.281 1.229 1.00 0.00 C ATOM 0 H LEU A 73 -4.299 -10.696 1.333 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.296 -11.383 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.332 -9.107 4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.441 -9.318 2.971 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.367 -8.635 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.815 -6.241 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.450 -7.031 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.132 -6.639 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.705 -7.533 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.015 -8.015 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.262 -9.257 0.788 1.00 0.00 H new ATOM 1140 N ASP A 74 -7.250 -11.046 2.775 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.667 -11.225 3.040 1.00 0.00 C ATOM 1142 C ASP A 74 -8.890 -12.574 3.725 1.00 0.00 C ATOM 1143 O ASP A 74 -9.909 -12.781 4.381 1.00 0.00 O ATOM 1144 CB ASP A 74 -9.476 -11.215 1.741 1.00 0.00 C ATOM 1145 CG ASP A 74 -10.817 -10.481 1.817 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -11.875 -11.053 1.516 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -10.745 -9.255 2.212 1.00 0.00 O ATOM 0 H ASP A 74 -7.009 -10.948 1.789 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.996 -10.404 3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.872 -10.756 0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.660 -12.246 1.438 1.00 0.00 H new ATOM 1153 N ASP A 75 -7.918 -13.458 3.547 1.00 0.00 N ATOM 1154 CA ASP A 75 -7.994 -14.782 4.142 1.00 0.00 C ATOM 1155 C ASP A 75 -7.702 -14.681 5.640 1.00 0.00 C ATOM 1156 O ASP A 75 -8.504 -15.122 6.463 1.00 0.00 O ATOM 1157 CB ASP A 75 -6.962 -15.724 3.520 1.00 0.00 C ATOM 1158 CG ASP A 75 -7.399 -17.187 3.417 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -7.649 -17.853 4.433 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -7.484 -17.645 2.214 1.00 0.00 O ATOM 0 H ASP A 75 -7.075 -13.283 3.000 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.995 -15.176 3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.718 -15.362 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.046 -15.675 4.109 1.00 0.00 H new ATOM 1166 N VAL A 76 -6.554 -14.098 5.949 1.00 0.00 N ATOM 1167 CA VAL A 76 -6.147 -13.933 7.335 1.00 0.00 C ATOM 1168 C VAL A 76 -7.106 -12.964 8.029 1.00 0.00 C ATOM 1169 O VAL A 76 -7.620 -12.037 7.405 1.00 0.00 O ATOM 1170 CB VAL A 76 -4.688 -13.480 7.400 1.00 0.00 C ATOM 1171 CG1 VAL A 76 -3.759 -14.530 6.786 1.00 0.00 C ATOM 1172 CG2 VAL A 76 -4.503 -12.121 6.720 1.00 0.00 C ATOM 0 H VAL A 76 -5.892 -13.734 5.264 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.202 -14.883 7.867 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.420 -13.368 8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.728 -14.182 6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.858 -15.468 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.029 -14.689 5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.456 -11.823 6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.799 -12.194 5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.122 -11.376 7.221 1.00 0.00 H new ATOM 1182 N ASP A 77 -7.317 -13.210 9.314 1.00 0.00 N ATOM 1183 CA ASP A 77 -8.205 -12.371 10.101 1.00 0.00 C ATOM 1184 C ASP A 77 -7.413 -11.193 10.670 1.00 0.00 C ATOM 1185 O ASP A 77 -7.345 -11.015 11.887 1.00 0.00 O ATOM 1186 CB ASP A 77 -8.804 -13.151 11.275 1.00 0.00 C ATOM 1187 CG ASP A 77 -9.817 -14.227 10.885 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -9.460 -15.259 10.298 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -11.039 -13.969 11.213 1.00 0.00 O ATOM 0 H ASP A 77 -6.888 -13.978 9.830 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.009 -12.026 9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.993 -13.621 11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.287 -12.446 11.951 1.00 0.00 H new ATOM 1195 N PHE A 78 -6.835 -10.416 9.766 1.00 0.00 N ATOM 1196 CA PHE A 78 -6.050 -9.260 10.164 1.00 0.00 C ATOM 1197 C PHE A 78 -6.838 -8.366 11.122 1.00 0.00 C ATOM 1198 O PHE A 78 -8.026 -8.123 10.915 1.00 0.00 O ATOM 1199 CB PHE A 78 -5.737 -8.472 8.889 1.00 0.00 C ATOM 1200 CG PHE A 78 -4.352 -8.757 8.306 1.00 0.00 C ATOM 1201 CD1 PHE A 78 -3.742 -9.948 8.548 1.00 0.00 C ATOM 1202 CD2 PHE A 78 -3.729 -7.817 7.547 1.00 0.00 C ATOM 1203 CE1 PHE A 78 -2.456 -10.211 8.007 1.00 0.00 C ATOM 1204 CE2 PHE A 78 -2.442 -8.080 7.005 1.00 0.00 C ATOM 1205 CZ PHE A 78 -1.833 -9.271 7.247 1.00 0.00 C ATOM 0 H PHE A 78 -6.895 -10.564 8.759 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.143 -9.583 10.675 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.491 -8.703 8.137 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.817 -7.406 9.104 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.236 -10.694 9.152 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.212 -6.870 7.356 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.973 -11.157 8.199 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.948 -7.334 6.401 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.855 -9.471 6.836 1.00 0.00 H new ATOM 1215 N ASN A 79 -6.145 -7.899 12.151 1.00 0.00 N ATOM 1216 CA ASN A 79 -6.765 -7.036 13.141 1.00 0.00 C ATOM 1217 C ASN A 79 -5.857 -5.835 13.404 1.00 0.00 C ATOM 1218 O ASN A 79 -4.634 -5.967 13.411 1.00 0.00 O ATOM 1219 CB ASN A 79 -6.969 -7.775 14.466 1.00 0.00 C ATOM 1220 CG ASN A 79 -8.407 -8.278 14.599 1.00 0.00 C ATOM 1221 OD1 ASN A 79 -9.139 -7.910 15.502 1.00 0.00 O ATOM 1222 ND2 ASN A 79 -8.769 -9.138 13.652 1.00 0.00 N ATOM 0 H ASN A 79 -5.160 -8.103 12.320 1.00 0.00 H new ATOM 0 HA ASN A 79 -7.733 -6.719 12.753 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.279 -8.616 14.527 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.735 -7.110 15.297 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.710 -9.532 13.653 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.106 -9.404 12.924 1.00 0.00 H new ATOM 1229 N GLY A 80 -6.488 -4.690 13.614 1.00 0.00 N ATOM 1230 CA GLY A 80 -5.752 -3.465 13.879 1.00 0.00 C ATOM 1231 C GLY A 80 -4.488 -3.390 13.021 1.00 0.00 C ATOM 1232 O GLY A 80 -3.496 -2.783 13.421 1.00 0.00 O ATOM 0 H GLY A 80 -7.502 -4.584 13.606 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.387 -2.603 13.674 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.483 -3.419 14.934 1.00 0.00 H new ATOM 1236 N LYS A 81 -4.564 -4.015 11.855 1.00 0.00 N ATOM 1237 CA LYS A 81 -3.438 -4.027 10.937 1.00 0.00 C ATOM 1238 C LYS A 81 -3.331 -2.664 10.252 1.00 0.00 C ATOM 1239 O LYS A 81 -4.217 -1.823 10.391 1.00 0.00 O ATOM 1240 CB LYS A 81 -3.556 -5.200 9.959 1.00 0.00 C ATOM 1241 CG LYS A 81 -4.422 -4.826 8.755 1.00 0.00 C ATOM 1242 CD LYS A 81 -3.561 -4.585 7.514 1.00 0.00 C ATOM 1243 CE LYS A 81 -4.374 -4.794 6.235 1.00 0.00 C ATOM 1244 NZ LYS A 81 -3.546 -5.446 5.195 1.00 0.00 N ATOM 0 H LYS A 81 -5.388 -4.517 11.525 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.506 -4.186 11.479 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.563 -5.496 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.988 -6.061 10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.138 -5.623 8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.998 -3.929 8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.163 -3.571 7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.707 -5.263 7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.249 -5.408 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.740 -3.835 5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.890 -5.169 4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.555 -5.148 5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.610 -6.479 5.297 1.00 0.00 H new ATOM 1258 N LEU A 82 -2.236 -2.487 9.526 1.00 0.00 N ATOM 1259 CA LEU A 82 -2.000 -1.239 8.818 1.00 0.00 C ATOM 1260 C LEU A 82 -1.947 -1.515 7.313 1.00 0.00 C ATOM 1261 O LEU A 82 -1.362 -2.505 6.880 1.00 0.00 O ATOM 1262 CB LEU A 82 -0.751 -0.543 9.360 1.00 0.00 C ATOM 1263 CG LEU A 82 0.589 -1.076 8.848 1.00 0.00 C ATOM 1264 CD1 LEU A 82 0.740 -0.827 7.347 1.00 0.00 C ATOM 1265 CD2 LEU A 82 1.754 -0.488 9.647 1.00 0.00 C ATOM 0 H LEU A 82 -1.503 -3.187 9.413 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.822 -0.543 8.987 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.815 0.517 9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.759 -0.621 10.447 1.00 0.00 H new ATOM 0 HG LEU A 82 0.608 -2.155 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.701 -1.215 7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.064 -1.332 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.691 0.244 7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.695 -0.883 9.263 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.750 0.598 9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.648 -0.759 10.697 1.00 0.00 H new ATOM 1277 N VAL A 83 -2.569 -0.620 6.559 1.00 0.00 N ATOM 1278 CA VAL A 83 -2.601 -0.754 5.112 1.00 0.00 C ATOM 1279 C VAL A 83 -2.318 0.606 4.473 1.00 0.00 C ATOM 1280 O VAL A 83 -2.930 1.608 4.838 1.00 0.00 O ATOM 1281 CB VAL A 83 -3.936 -1.357 4.673 1.00 0.00 C ATOM 1282 CG1 VAL A 83 -3.732 -2.721 4.011 1.00 0.00 C ATOM 1283 CG2 VAL A 83 -4.907 -1.459 5.850 1.00 0.00 C ATOM 0 H VAL A 83 -3.054 0.200 6.923 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.824 -1.439 4.773 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.376 -0.688 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.697 -3.127 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.095 -2.608 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.258 -3.401 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.848 -1.891 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.475 -2.094 6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.091 -0.465 6.257 1.00 0.00 H new ATOM 1293 N ALA A 84 -1.390 0.598 3.526 1.00 0.00 N ATOM 1294 CA ALA A 84 -1.018 1.820 2.832 1.00 0.00 C ATOM 1295 C ALA A 84 -1.679 1.837 1.452 1.00 0.00 C ATOM 1296 O ALA A 84 -1.457 0.940 0.642 1.00 0.00 O ATOM 1297 CB ALA A 84 0.506 1.916 2.749 1.00 0.00 C ATOM 0 H ALA A 84 -0.885 -0.235 3.223 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.370 2.695 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.785 2.832 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.925 1.928 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.896 1.056 2.204 1.00 0.00 H new ATOM 1303 N TYR A 85 -2.478 2.870 1.228 1.00 0.00 N ATOM 1304 CA TYR A 85 -3.173 3.017 -0.039 1.00 0.00 C ATOM 1305 C TYR A 85 -2.412 3.955 -0.977 1.00 0.00 C ATOM 1306 O TYR A 85 -2.196 5.123 -0.654 1.00 0.00 O ATOM 1307 CB TYR A 85 -4.531 3.641 0.293 1.00 0.00 C ATOM 1308 CG TYR A 85 -5.207 4.330 -0.894 1.00 0.00 C ATOM 1309 CD1 TYR A 85 -5.192 3.734 -2.139 1.00 0.00 C ATOM 1310 CD2 TYR A 85 -5.831 5.548 -0.719 1.00 0.00 C ATOM 1311 CE1 TYR A 85 -5.827 4.384 -3.255 1.00 0.00 C ATOM 1312 CE2 TYR A 85 -6.467 6.198 -1.836 1.00 0.00 C ATOM 1313 CZ TYR A 85 -6.433 5.584 -3.049 1.00 0.00 C ATOM 1314 OH TYR A 85 -7.034 6.198 -4.103 1.00 0.00 O ATOM 0 H TYR A 85 -2.659 3.613 1.903 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.266 2.052 -0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.193 2.863 0.674 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.399 4.368 1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -4.704 2.780 -2.276 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.843 6.014 0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.822 3.929 -4.234 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.960 7.151 -1.713 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.426 7.046 -3.807 1.00 0.00 H new ATOM 1324 N PHE A 86 -2.024 3.410 -2.121 1.00 0.00 N ATOM 1325 CA PHE A 86 -1.291 4.185 -3.108 1.00 0.00 C ATOM 1326 C PHE A 86 -2.041 5.468 -3.466 1.00 0.00 C ATOM 1327 O PHE A 86 -2.908 5.463 -4.339 1.00 0.00 O ATOM 1328 CB PHE A 86 -1.170 3.313 -4.360 1.00 0.00 C ATOM 1329 CG PHE A 86 0.002 3.689 -5.270 1.00 0.00 C ATOM 1330 CD1 PHE A 86 0.154 4.975 -5.685 1.00 0.00 C ATOM 1331 CD2 PHE A 86 0.889 2.737 -5.664 1.00 0.00 C ATOM 1332 CE1 PHE A 86 1.241 5.325 -6.529 1.00 0.00 C ATOM 1333 CE2 PHE A 86 1.977 3.086 -6.507 1.00 0.00 C ATOM 1334 CZ PHE A 86 2.129 4.373 -6.924 1.00 0.00 C ATOM 0 H PHE A 86 -2.203 2.442 -2.386 1.00 0.00 H new ATOM 0 HA PHE A 86 -0.316 4.466 -2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.061 2.272 -4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.096 3.383 -4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.552 5.730 -5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.766 1.715 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.363 6.347 -6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.684 2.331 -6.817 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.954 4.638 -7.568 1.00 0.00 H new ATOM 1658 N ILE A 109 -10.902 -6.281 5.455 1.00 0.00 N ATOM 1659 CA ILE A 109 -9.583 -6.044 6.016 1.00 0.00 C ATOM 1660 C ILE A 109 -9.121 -4.632 5.645 1.00 0.00 C ATOM 1661 O ILE A 109 -8.402 -3.991 6.410 1.00 0.00 O ATOM 1662 CB ILE A 109 -8.610 -7.142 5.581 1.00 0.00 C ATOM 1663 CG1 ILE A 109 -8.917 -8.460 6.296 1.00 0.00 C ATOM 1664 CG2 ILE A 109 -7.159 -6.703 5.786 1.00 0.00 C ATOM 1665 CD1 ILE A 109 -9.986 -9.255 5.545 1.00 0.00 C ATOM 0 HA ILE A 109 -9.618 -6.093 7.104 1.00 0.00 H new ATOM 0 HB ILE A 109 -8.745 -7.315 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.007 -9.054 6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.257 -8.256 7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -6.489 -7.502 5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -6.963 -5.809 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -6.990 -6.485 6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.185 -10.187 6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.902 -8.668 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.633 -9.478 4.538 1.00 0.00 H new ATOM 1677 N SER A 110 -9.555 -4.191 4.474 1.00 0.00 N ATOM 1678 CA SER A 110 -9.195 -2.867 3.994 1.00 0.00 C ATOM 1679 C SER A 110 -9.226 -1.865 5.150 1.00 0.00 C ATOM 1680 O SER A 110 -8.179 -1.489 5.677 1.00 0.00 O ATOM 1681 CB SER A 110 -10.134 -2.414 2.874 1.00 0.00 C ATOM 1682 OG SER A 110 -9.765 -2.964 1.612 1.00 0.00 O ATOM 0 H SER A 110 -10.152 -4.726 3.843 1.00 0.00 H new ATOM 0 HA SER A 110 -8.184 -2.913 3.588 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.155 -2.711 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.125 -1.326 2.812 1.00 0.00 H new ATOM 0 HG SER A 110 -10.390 -2.652 0.924 1.00 0.00 H new ATOM 1688 N GLN A 111 -10.435 -1.463 5.509 1.00 0.00 N ATOM 1689 CA GLN A 111 -10.615 -0.510 6.593 1.00 0.00 C ATOM 1690 C GLN A 111 -10.824 -1.248 7.917 1.00 0.00 C ATOM 1691 O GLN A 111 -10.276 -0.853 8.945 1.00 0.00 O ATOM 1692 CB GLN A 111 -11.781 0.436 6.304 1.00 0.00 C ATOM 1693 CG GLN A 111 -11.519 1.260 5.040 1.00 0.00 C ATOM 1694 CD GLN A 111 -12.760 1.305 4.148 1.00 0.00 C ATOM 1695 OE1 GLN A 111 -13.189 2.351 3.691 1.00 0.00 O ATOM 1696 NE2 GLN A 111 -13.310 0.113 3.926 1.00 0.00 N ATOM 0 H GLN A 111 -11.300 -1.779 5.070 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.712 0.094 6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -12.699 -0.139 6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.932 1.103 7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -11.228 2.274 5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -10.685 0.829 4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -12.899 -0.724 4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -14.143 0.036 3.342 1.00 0.00 H new ATOM 1705 N ARG A 112 -11.619 -2.306 7.850 1.00 0.00 N ATOM 1706 CA ARG A 112 -11.907 -3.103 9.030 1.00 0.00 C ATOM 1707 C ARG A 112 -10.611 -3.653 9.629 1.00 0.00 C ATOM 1708 O ARG A 112 -10.388 -3.553 10.835 1.00 0.00 O ATOM 1709 CB ARG A 112 -12.840 -4.268 8.694 1.00 0.00 C ATOM 1710 CG ARG A 112 -13.811 -4.543 9.844 1.00 0.00 C ATOM 1711 CD ARG A 112 -14.913 -3.483 9.895 1.00 0.00 C ATOM 1712 NE ARG A 112 -14.473 -2.334 10.716 1.00 0.00 N ATOM 1713 CZ ARG A 112 -15.009 -1.099 10.639 1.00 0.00 C ATOM 1714 NH1 ARG A 112 -16.014 -0.840 9.771 1.00 0.00 N ATOM 1715 NH2 ARG A 112 -14.540 -0.144 11.421 1.00 0.00 N ATOM 0 H ARG A 112 -12.073 -2.630 6.996 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.400 -2.455 9.755 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -13.400 -4.040 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -12.251 -5.162 8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -14.256 -5.530 9.721 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.268 -4.554 10.789 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -15.154 -3.148 8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -15.823 -3.913 10.314 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.716 -2.485 11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -16.372 -1.582 9.169 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.414 0.097 9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -13.782 -0.345 12.073 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.936 0.795 11.373 1.00 0.00 H new ATOM 1729 N GLY A 113 -9.789 -4.219 8.759 1.00 0.00 N ATOM 1730 CA GLY A 113 -8.520 -4.785 9.188 1.00 0.00 C ATOM 1731 C GLY A 113 -7.892 -3.943 10.300 1.00 0.00 C ATOM 1732 O GLY A 113 -7.472 -4.477 11.326 1.00 0.00 O ATOM 0 H GLY A 113 -9.976 -4.298 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -8.674 -5.805 9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -7.838 -4.841 8.340 1.00 0.00 H new ATOM 1736 N GLY A 114 -7.849 -2.641 10.060 1.00 0.00 N ATOM 1737 CA GLY A 114 -7.277 -1.720 11.028 1.00 0.00 C ATOM 1738 C GLY A 114 -7.341 -0.279 10.518 1.00 0.00 C ATOM 1739 O GLY A 114 -8.424 0.245 10.263 1.00 0.00 O ATOM 0 H GLY A 114 -8.201 -2.202 9.209 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.815 -1.799 11.973 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.241 -1.993 11.227 1.00 0.00 H new ATOM 1743 N LYS A 115 -6.167 0.320 10.386 1.00 0.00 N ATOM 1744 CA LYS A 115 -6.075 1.690 9.911 1.00 0.00 C ATOM 1745 C LYS A 115 -5.485 1.698 8.499 1.00 0.00 C ATOM 1746 O LYS A 115 -4.726 0.800 8.136 1.00 0.00 O ATOM 1747 CB LYS A 115 -5.295 2.551 10.909 1.00 0.00 C ATOM 1748 CG LYS A 115 -6.240 3.212 11.916 1.00 0.00 C ATOM 1749 CD LYS A 115 -5.682 3.111 13.338 1.00 0.00 C ATOM 1750 CE LYS A 115 -4.503 4.068 13.533 1.00 0.00 C ATOM 1751 NZ LYS A 115 -3.303 3.328 13.980 1.00 0.00 N ATOM 0 H LYS A 115 -5.271 -0.118 10.600 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.067 2.138 9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.568 1.934 11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.734 3.317 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.384 4.260 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.218 2.734 11.870 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.467 3.343 14.058 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.361 2.088 13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.290 4.587 12.599 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.763 4.829 14.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.513 3.992 14.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.505 2.853 14.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.046 2.618 13.265 1.00 0.00 H new ATOM 1765 N THR A 116 -5.854 2.722 7.744 1.00 0.00 N ATOM 1766 CA THR A 116 -5.372 2.857 6.380 1.00 0.00 C ATOM 1767 C THR A 116 -4.657 4.198 6.198 1.00 0.00 C ATOM 1768 O THR A 116 -5.240 5.254 6.433 1.00 0.00 O ATOM 1769 CB THR A 116 -6.562 2.672 5.438 1.00 0.00 C ATOM 1770 OG1 THR A 116 -6.911 1.297 5.584 1.00 0.00 O ATOM 1771 CG2 THR A 116 -6.169 2.802 3.964 1.00 0.00 C ATOM 0 H THR A 116 -6.481 3.466 8.051 1.00 0.00 H new ATOM 0 HA THR A 116 -4.631 2.093 6.145 1.00 0.00 H new ATOM 0 HB THR A 116 -7.330 3.409 5.675 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.677 1.091 5.008 1.00 0.00 H new ATOM 0 HG21 THR A 116 -7.051 2.662 3.339 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.751 3.792 3.785 1.00 0.00 H new ATOM 0 HG23 THR A 116 -5.425 2.044 3.717 1.00 0.00 H new ATOM 1779 N VAL A 117 -3.402 4.110 5.782 1.00 0.00 N ATOM 1780 CA VAL A 117 -2.601 5.302 5.565 1.00 0.00 C ATOM 1781 C VAL A 117 -2.694 5.714 4.095 1.00 0.00 C ATOM 1782 O VAL A 117 -2.522 4.886 3.203 1.00 0.00 O ATOM 1783 CB VAL A 117 -1.161 5.057 6.026 1.00 0.00 C ATOM 1784 CG1 VAL A 117 -0.492 3.973 5.180 1.00 0.00 C ATOM 1785 CG2 VAL A 117 -0.349 6.353 6.001 1.00 0.00 C ATOM 0 H VAL A 117 -2.921 3.232 5.590 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.983 6.131 6.160 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.194 4.704 7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.529 3.818 5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.052 3.042 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.476 4.285 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.669 6.151 6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.328 6.750 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.809 7.083 6.666 1.00 0.00 H new ATOM 1795 N GLY A 118 -2.967 6.995 3.888 1.00 0.00 N ATOM 1796 CA GLY A 118 -3.087 7.527 2.542 1.00 0.00 C ATOM 1797 C GLY A 118 -3.783 8.888 2.550 1.00 0.00 C ATOM 1798 O GLY A 118 -3.129 9.925 2.638 1.00 0.00 O ATOM 0 H GLY A 118 -3.108 7.679 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.097 7.624 2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -3.650 6.830 1.921 1.00 0.00 H new ATOM 2336 N ASP A 154 8.457 15.501 -4.942 1.00 0.00 N ATOM 2337 CA ASP A 154 8.618 14.415 -3.991 1.00 0.00 C ATOM 2338 C ASP A 154 7.326 13.599 -3.929 1.00 0.00 C ATOM 2339 O ASP A 154 6.578 13.687 -2.957 1.00 0.00 O ATOM 2340 CB ASP A 154 8.907 14.951 -2.587 1.00 0.00 C ATOM 2341 CG ASP A 154 10.389 15.016 -2.211 1.00 0.00 C ATOM 2342 OD1 ASP A 154 11.245 14.423 -2.884 1.00 0.00 O ATOM 2343 OD2 ASP A 154 10.655 15.720 -1.164 1.00 0.00 O ATOM 0 HA ASP A 154 9.454 13.799 -4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 154 8.482 15.951 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 154 8.391 14.322 -1.861 1.00 0.00 H new ATOM 2349 N ARG A 155 7.103 12.823 -4.979 1.00 0.00 N ATOM 2350 CA ARG A 155 5.913 11.993 -5.057 1.00 0.00 C ATOM 2351 C ARG A 155 6.058 10.770 -4.149 1.00 0.00 C ATOM 2352 O ARG A 155 5.226 10.539 -3.273 1.00 0.00 O ATOM 2353 CB ARG A 155 5.659 11.527 -6.492 1.00 0.00 C ATOM 2354 CG ARG A 155 4.488 10.542 -6.551 1.00 0.00 C ATOM 2355 CD ARG A 155 3.741 10.659 -7.880 1.00 0.00 C ATOM 2356 NE ARG A 155 2.296 10.870 -7.631 1.00 0.00 N ATOM 2357 CZ ARG A 155 1.417 11.269 -8.574 1.00 0.00 C ATOM 2358 NH1 ARG A 155 1.826 11.503 -9.839 1.00 0.00 N ATOM 2359 NH2 ARG A 155 0.149 11.426 -8.240 1.00 0.00 N ATOM 0 H ARG A 155 7.726 12.751 -5.783 1.00 0.00 H new ATOM 0 HA ARG A 155 5.067 12.596 -4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 155 5.446 12.388 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 155 6.557 11.054 -6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 155 4.857 9.524 -6.426 1.00 0.00 H new ATOM 0 HG3 ARG A 155 3.803 10.736 -5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 155 4.143 11.489 -8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 155 3.889 9.755 -8.471 1.00 0.00 H new ATOM 0 HE ARG A 155 1.944 10.703 -6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 155 2.807 11.378 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 155 1.154 11.804 -10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -0.152 11.246 -7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -0.529 11.727 -8.940 1.00 0.00 H new ATOM 2373 N ILE A 156 7.122 10.016 -4.390 1.00 0.00 N ATOM 2374 CA ILE A 156 7.386 8.823 -3.606 1.00 0.00 C ATOM 2375 C ILE A 156 7.777 9.229 -2.183 1.00 0.00 C ATOM 2376 O ILE A 156 7.329 8.618 -1.214 1.00 0.00 O ATOM 2377 CB ILE A 156 8.428 7.944 -4.302 1.00 0.00 C ATOM 2378 CG1 ILE A 156 9.724 8.719 -4.546 1.00 0.00 C ATOM 2379 CG2 ILE A 156 7.864 7.346 -5.593 1.00 0.00 C ATOM 2380 CD1 ILE A 156 10.863 7.773 -4.931 1.00 0.00 C ATOM 0 H ILE A 156 7.810 10.209 -5.117 1.00 0.00 H new ATOM 0 HA ILE A 156 6.487 8.212 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 156 8.671 7.112 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 156 9.571 9.451 -5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 156 9.995 9.274 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 156 8.624 6.726 -6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 156 6.991 6.736 -5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 156 7.575 8.150 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 156 11.773 8.349 -5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 156 11.030 7.058 -4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 156 10.599 7.238 -5.843 1.00 0.00 H new ATOM 2392 N LYS A 157 8.608 10.258 -2.102 1.00 0.00 N ATOM 2393 CA LYS A 157 9.065 10.752 -0.815 1.00 0.00 C ATOM 2394 C LYS A 157 7.854 11.140 0.036 1.00 0.00 C ATOM 2395 O LYS A 157 7.894 11.041 1.262 1.00 0.00 O ATOM 2396 CB LYS A 157 10.074 11.887 -1.003 1.00 0.00 C ATOM 2397 CG LYS A 157 11.084 11.546 -2.100 1.00 0.00 C ATOM 2398 CD LYS A 157 12.412 12.269 -1.867 1.00 0.00 C ATOM 2399 CE LYS A 157 13.507 11.283 -1.450 1.00 0.00 C ATOM 2400 NZ LYS A 157 14.791 11.992 -1.248 1.00 0.00 N ATOM 0 H LYS A 157 8.977 10.763 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 157 9.598 9.970 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 157 9.549 12.807 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 157 10.598 12.071 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 157 11.251 10.469 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 157 10.679 11.827 -3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 157 12.712 12.788 -2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 157 12.287 13.027 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 157 13.216 10.775 -0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 157 13.625 10.516 -2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 15.524 11.310 -0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 15.074 12.457 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 14.679 12.708 -0.502 1.00 0.00 H new ATOM 2414 N SER A 158 6.806 11.576 -0.648 1.00 0.00 N ATOM 2415 CA SER A 158 5.586 11.980 0.030 1.00 0.00 C ATOM 2416 C SER A 158 4.809 10.744 0.490 1.00 0.00 C ATOM 2417 O SER A 158 4.752 10.453 1.683 1.00 0.00 O ATOM 2418 CB SER A 158 4.712 12.848 -0.879 1.00 0.00 C ATOM 2419 OG SER A 158 3.435 13.106 -0.304 1.00 0.00 O ATOM 0 H SER A 158 6.777 11.658 -1.664 1.00 0.00 H new ATOM 0 HA SER A 158 5.860 12.575 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 158 5.219 13.793 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 158 4.583 12.351 -1.840 1.00 0.00 H new ATOM 0 HG SER A 158 2.908 13.664 -0.914 1.00 0.00 H new ATOM 2425 N TRP A 159 4.230 10.053 -0.481 1.00 0.00 N ATOM 2426 CA TRP A 159 3.460 8.856 -0.189 1.00 0.00 C ATOM 2427 C TRP A 159 4.222 8.048 0.864 1.00 0.00 C ATOM 2428 O TRP A 159 3.669 7.704 1.906 1.00 0.00 O ATOM 2429 CB TRP A 159 3.179 8.061 -1.466 1.00 0.00 C ATOM 2430 CG TRP A 159 2.235 6.873 -1.265 1.00 0.00 C ATOM 2431 CD1 TRP A 159 0.918 6.899 -1.019 1.00 0.00 C ATOM 2432 CD2 TRP A 159 2.593 5.476 -1.302 1.00 0.00 C ATOM 2433 NE1 TRP A 159 0.402 5.626 -0.896 1.00 0.00 N ATOM 2434 CE2 TRP A 159 1.452 4.733 -1.074 1.00 0.00 C ATOM 2435 CE3 TRP A 159 3.837 4.860 -1.522 1.00 0.00 C ATOM 2436 CZ2 TRP A 159 1.444 3.333 -1.043 1.00 0.00 C ATOM 2437 CZ3 TRP A 159 3.811 3.460 -1.488 1.00 0.00 C ATOM 2438 CH2 TRP A 159 2.673 2.697 -1.259 1.00 0.00 C ATOM 0 H TRP A 159 4.279 10.299 -1.470 1.00 0.00 H new ATOM 0 HA TRP A 159 2.481 9.115 0.214 1.00 0.00 H new ATOM 0 HB2 TRP A 159 2.750 8.731 -2.212 1.00 0.00 H new ATOM 0 HB3 TRP A 159 4.124 7.697 -1.870 1.00 0.00 H new ATOM 0 HD1 TRP A 159 0.334 7.803 -0.928 1.00 0.00 H new ATOM 0 HE1 TRP A 159 -0.571 5.384 -0.709 1.00 0.00 H new ATOM 0 HE3 TRP A 159 4.741 5.422 -1.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 159 0.538 2.773 -0.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 159 4.742 2.937 -1.651 1.00 0.00 H new ATOM 0 HH2 TRP A 159 2.736 1.619 -1.248 1.00 0.00 H new ATOM 2449 N VAL A 160 5.478 7.767 0.552 1.00 0.00 N ATOM 2450 CA VAL A 160 6.322 7.007 1.459 1.00 0.00 C ATOM 2451 C VAL A 160 6.268 7.640 2.851 1.00 0.00 C ATOM 2452 O VAL A 160 6.010 6.953 3.839 1.00 0.00 O ATOM 2453 CB VAL A 160 7.743 6.915 0.899 1.00 0.00 C ATOM 2454 CG1 VAL A 160 8.686 6.246 1.901 1.00 0.00 C ATOM 2455 CG2 VAL A 160 7.757 6.180 -0.442 1.00 0.00 C ATOM 0 H VAL A 160 5.932 8.052 -0.316 1.00 0.00 H new ATOM 0 HA VAL A 160 5.957 5.984 1.553 1.00 0.00 H new ATOM 0 HB VAL A 160 8.102 7.930 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 160 9.689 6.193 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.711 6.828 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 160 8.331 5.239 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 160 8.779 6.129 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 160 7.368 5.170 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 160 7.134 6.716 -1.157 1.00 0.00 H new ATOM 2465 N ALA A 161 6.515 8.940 2.883 1.00 0.00 N ATOM 2466 CA ALA A 161 6.497 9.674 4.139 1.00 0.00 C ATOM 2467 C ALA A 161 5.153 9.454 4.834 1.00 0.00 C ATOM 2468 O ALA A 161 5.081 9.434 6.062 1.00 0.00 O ATOM 2469 CB ALA A 161 6.780 11.154 3.870 1.00 0.00 C ATOM 0 H ALA A 161 6.729 9.505 2.061 1.00 0.00 H new ATOM 0 HA ALA A 161 7.277 9.310 4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 161 6.766 11.704 4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 161 7.759 11.258 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 161 6.016 11.555 3.204 1.00 0.00 H new ATOM 2475 N GLN A 162 4.121 9.295 4.020 1.00 0.00 N ATOM 2476 CA GLN A 162 2.781 9.078 4.542 1.00 0.00 C ATOM 2477 C GLN A 162 2.685 7.698 5.197 1.00 0.00 C ATOM 2478 O GLN A 162 2.180 7.571 6.311 1.00 0.00 O ATOM 2479 CB GLN A 162 1.732 9.237 3.441 1.00 0.00 C ATOM 2480 CG GLN A 162 0.330 9.372 4.037 1.00 0.00 C ATOM 2481 CD GLN A 162 0.225 10.615 4.920 1.00 0.00 C ATOM 2482 OE1 GLN A 162 0.035 11.726 4.455 1.00 0.00 O ATOM 2483 NE2 GLN A 162 0.361 10.369 6.221 1.00 0.00 N ATOM 0 H GLN A 162 4.184 9.312 3.002 1.00 0.00 H new ATOM 0 HA GLN A 162 2.580 9.834 5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 162 1.962 10.116 2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 162 1.766 8.376 2.774 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -0.406 9.429 3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 162 0.094 8.484 4.624 1.00 0.00 H new ATOM 0 HE21 GLN A 162 0.518 9.415 6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 162 0.308 11.134 6.893 1.00 0.00 H new ATOM 2492 N LEU A 163 3.176 6.701 4.476 1.00 0.00 N ATOM 2493 CA LEU A 163 3.151 5.336 4.974 1.00 0.00 C ATOM 2494 C LEU A 163 3.937 5.261 6.284 1.00 0.00 C ATOM 2495 O LEU A 163 3.421 4.790 7.296 1.00 0.00 O ATOM 2496 CB LEU A 163 3.650 4.365 3.901 1.00 0.00 C ATOM 2497 CG LEU A 163 3.387 4.777 2.451 1.00 0.00 C ATOM 2498 CD1 LEU A 163 3.644 3.609 1.495 1.00 0.00 C ATOM 2499 CD2 LEU A 163 1.978 5.351 2.290 1.00 0.00 C ATOM 0 H LEU A 163 3.593 6.811 3.552 1.00 0.00 H new ATOM 0 HA LEU A 163 2.129 5.031 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 163 4.724 4.231 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 163 3.185 3.394 4.072 1.00 0.00 H new ATOM 0 HG LEU A 163 4.088 5.569 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 163 3.450 3.928 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 163 4.682 3.287 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 163 2.984 2.780 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 163 1.818 5.636 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 163 1.244 4.599 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 163 1.867 6.228 2.927 1.00 0.00 H new ATOM 2511 N LYS A 164 5.174 5.732 6.222 1.00 0.00 N ATOM 2512 CA LYS A 164 6.036 5.725 7.392 1.00 0.00 C ATOM 2513 C LYS A 164 5.382 6.539 8.509 1.00 0.00 C ATOM 2514 O LYS A 164 5.486 6.185 9.683 1.00 0.00 O ATOM 2515 CB LYS A 164 7.442 6.205 7.024 1.00 0.00 C ATOM 2516 CG LYS A 164 8.031 5.361 5.893 1.00 0.00 C ATOM 2517 CD LYS A 164 8.290 3.926 6.356 1.00 0.00 C ATOM 2518 CE LYS A 164 9.204 3.903 7.584 1.00 0.00 C ATOM 2519 NZ LYS A 164 8.444 3.490 8.787 1.00 0.00 N ATOM 0 H LYS A 164 5.600 6.121 5.380 1.00 0.00 H new ATOM 0 HA LYS A 164 6.158 4.709 7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 164 7.405 7.251 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 164 8.090 6.150 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 164 7.347 5.355 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 164 8.963 5.809 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 164 7.344 3.440 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.747 3.356 5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 164 10.032 3.215 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 164 9.637 4.891 7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 9.107 3.266 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 7.817 4.265 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 7.874 2.649 8.566 1.00 0.00 H new ATOM 2533 N SER A 165 4.720 7.613 8.105 1.00 0.00 N ATOM 2534 CA SER A 165 4.048 8.481 9.058 1.00 0.00 C ATOM 2535 C SER A 165 3.098 7.662 9.932 1.00 0.00 C ATOM 2536 O SER A 165 3.338 7.492 11.128 1.00 0.00 O ATOM 2537 CB SER A 165 3.285 9.597 8.343 1.00 0.00 C ATOM 2538 OG SER A 165 3.955 10.851 8.441 1.00 0.00 O ATOM 0 H SER A 165 4.634 7.902 7.131 1.00 0.00 H new ATOM 0 HA SER A 165 4.804 8.944 9.692 1.00 0.00 H new ATOM 0 HB2 SER A 165 3.159 9.335 7.293 1.00 0.00 H new ATOM 0 HB3 SER A 165 2.287 9.685 8.771 1.00 0.00 H new ATOM 0 HG SER A 165 4.619 10.924 7.724 1.00 0.00 H new ATOM 2544 N GLU A 166 2.037 7.177 9.303 1.00 0.00 N ATOM 2545 CA GLU A 166 1.049 6.379 10.009 1.00 0.00 C ATOM 2546 C GLU A 166 1.698 5.120 10.588 1.00 0.00 C ATOM 2547 O GLU A 166 1.644 4.888 11.796 1.00 0.00 O ATOM 2548 CB GLU A 166 -0.121 6.019 9.092 1.00 0.00 C ATOM 2549 CG GLU A 166 -1.340 5.575 9.905 1.00 0.00 C ATOM 2550 CD GLU A 166 -1.991 6.768 10.610 1.00 0.00 C ATOM 2551 OE1 GLU A 166 -1.658 7.059 11.769 1.00 0.00 O ATOM 2552 OE2 GLU A 166 -2.873 7.399 9.912 1.00 0.00 O ATOM 0 H GLU A 166 1.840 7.321 8.313 1.00 0.00 H new ATOM 0 HA GLU A 166 0.654 6.972 10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -0.384 6.880 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 166 0.177 5.221 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -2.066 5.096 9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -1.039 4.832 10.643 1.00 0.00 H new ATOM 2560 N PHE A 167 2.297 4.340 9.700 1.00 0.00 N ATOM 2561 CA PHE A 167 2.957 3.111 10.109 1.00 0.00 C ATOM 2562 C PHE A 167 3.710 3.306 11.427 1.00 0.00 C ATOM 2563 O PHE A 167 3.608 2.478 12.331 1.00 0.00 O ATOM 2564 CB PHE A 167 3.959 2.755 9.009 1.00 0.00 C ATOM 2565 CG PHE A 167 3.314 2.233 7.724 1.00 0.00 C ATOM 2566 CD1 PHE A 167 1.966 2.305 7.562 1.00 0.00 C ATOM 2567 CD2 PHE A 167 4.090 1.699 6.743 1.00 0.00 C ATOM 2568 CE1 PHE A 167 1.368 1.822 6.369 1.00 0.00 C ATOM 2569 CE2 PHE A 167 3.491 1.215 5.550 1.00 0.00 C ATOM 2570 CZ PHE A 167 2.143 1.286 5.388 1.00 0.00 C ATOM 0 H PHE A 167 2.339 4.535 8.700 1.00 0.00 H new ATOM 0 HA PHE A 167 2.219 2.323 10.257 1.00 0.00 H new ATOM 0 HB2 PHE A 167 4.552 3.638 8.773 1.00 0.00 H new ATOM 0 HB3 PHE A 167 4.648 2.001 9.390 1.00 0.00 H new ATOM 0 HD1 PHE A 167 1.350 2.730 8.341 1.00 0.00 H new ATOM 0 HD2 PHE A 167 5.161 1.643 6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 167 0.297 1.880 6.240 1.00 0.00 H new ATOM 0 HE2 PHE A 167 4.107 0.790 4.771 1.00 0.00 H new ATOM 0 HZ PHE A 167 1.688 0.917 4.481 1.00 0.00 H new ATOM 2580 N GLY A 168 4.450 4.402 11.493 1.00 0.00 N ATOM 2581 CA GLY A 168 5.220 4.716 12.684 1.00 0.00 C ATOM 2582 C GLY A 168 4.302 5.111 13.843 1.00 0.00 C ATOM 2583 O GLY A 168 4.182 4.377 14.823 1.00 0.00 O ATOM 0 H GLY A 168 4.533 5.085 10.740 1.00 0.00 H new ATOM 0 HA2 GLY A 168 5.822 3.853 12.970 1.00 0.00 H new ATOM 0 HA3 GLY A 168 5.912 5.531 12.470 1.00 0.00 H new