USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 723 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 64 SER OG : rot 72:sc= 1.28 USER MOD Set 1.2: A 67 SER OG : rot -17:sc= 0.947 USER MOD Set 2.1: A 13 GLN : amide:sc= 2.06 K(o=4.7,f=1.5) USER MOD Set 2.2: A 36 ASN : amide:sc= 2.65 K(o=4.7,f=-3.4!) USER MOD Single : A 1 MET CE :methyl 144:sc= 0 (180deg=-0.123) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0718 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 2.38 K(o=2.4,f=-0.021) USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 1.03 K(o=1,f=-0.97) USER MOD Single : A 23 MET CE :methyl 165:sc= 0 (180deg=-0.272) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0.736 (180deg=0.665) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.18) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.0144 X(o=0.014,f=0) USER MOD Single : A 55 SER OG : rot 79:sc= 1.21 USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 1.29 (180deg=1.18) USER MOD Single : A 62 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 5:sc= 0.626 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00836 USER MOD Single : A 83 HIS : no HD1:sc=-0.00233 K(o=-0.0023,f=-6.1!) USER MOD Single : A 84 HIS : no HE2:sc= 0.52 K(o=0.52,f=-1.8!) USER MOD Single : A 87 SER OG : rot 130:sc= 0.807 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 152:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.192 -13.226 -0.439 1.00 0.00 N ATOM 2 CA MET A 1 -5.269 -13.807 0.573 1.00 0.00 C ATOM 3 C MET A 1 -6.004 -14.020 1.900 1.00 0.00 C ATOM 4 O MET A 1 -6.983 -13.332 2.196 1.00 0.00 O ATOM 5 CB MET A 1 -4.019 -12.928 0.808 1.00 0.00 C ATOM 6 CG MET A 1 -2.980 -12.993 -0.321 1.00 0.00 C ATOM 7 SD MET A 1 -1.584 -11.837 -0.148 1.00 0.00 S ATOM 8 CE MET A 1 -0.811 -12.389 1.401 1.00 0.00 C ATOM 0 H1 MET A 1 -6.399 -13.937 -1.169 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.078 -12.938 0.024 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.746 -12.396 -0.880 1.00 0.00 H new ATOM 0 HA MET A 1 -4.928 -14.764 0.178 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.336 -11.893 0.935 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.545 -13.233 1.741 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.587 -14.008 -0.375 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.482 -12.794 -1.268 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.271 -12.283 1.326 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.178 -11.781 2.228 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.061 -13.435 1.580 1.00 0.00 H new ATOM 20 N LEU A 2 -5.514 -14.954 2.717 1.00 0.00 N ATOM 21 CA LEU A 2 -5.966 -15.235 4.077 1.00 0.00 C ATOM 22 C LEU A 2 -4.724 -15.337 4.968 1.00 0.00 C ATOM 23 O LEU A 2 -3.596 -15.416 4.461 1.00 0.00 O ATOM 24 CB LEU A 2 -6.731 -16.575 4.130 1.00 0.00 C ATOM 25 CG LEU A 2 -8.017 -16.673 3.289 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.563 -18.101 3.379 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.098 -15.691 3.751 1.00 0.00 C ATOM 0 H LEU A 2 -4.750 -15.566 2.430 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.634 -14.442 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.054 -17.366 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.988 -16.779 5.169 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.760 -16.415 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.474 -18.180 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.819 -18.800 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.785 -18.341 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.983 -15.802 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.360 -15.900 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.722 -14.671 3.670 1.00 0.00 H new ATOM 39 N GLN A 3 -4.954 -15.400 6.279 1.00 0.00 N ATOM 40 CA GLN A 3 -3.994 -15.807 7.293 1.00 0.00 C ATOM 41 C GLN A 3 -4.458 -17.163 7.822 1.00 0.00 C ATOM 42 O GLN A 3 -5.649 -17.331 8.090 1.00 0.00 O ATOM 43 CB GLN A 3 -3.987 -14.774 8.435 1.00 0.00 C ATOM 44 CG GLN A 3 -2.877 -15.014 9.469 1.00 0.00 C ATOM 45 CD GLN A 3 -2.908 -13.958 10.577 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.592 -14.119 11.585 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.173 -12.870 10.425 1.00 0.00 N ATOM 0 H GLN A 3 -5.861 -15.156 6.678 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.986 -15.873 6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.869 -13.776 8.012 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.953 -14.794 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.993 -16.006 9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.906 -14.996 8.974 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.610 -12.749 9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.169 -12.152 11.149 1.00 0.00 H new ATOM 56 N TYR A 4 -3.534 -18.098 8.039 1.00 0.00 N ATOM 57 CA TYR A 4 -3.735 -19.311 8.824 1.00 0.00 C ATOM 58 C TYR A 4 -2.802 -19.237 10.036 1.00 0.00 C ATOM 59 O TYR A 4 -1.745 -18.601 9.984 1.00 0.00 O ATOM 60 CB TYR A 4 -3.414 -20.587 8.013 1.00 0.00 C ATOM 61 CG TYR A 4 -4.453 -21.148 7.044 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.529 -20.389 6.541 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.320 -22.491 6.638 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.456 -20.956 5.649 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.241 -23.069 5.744 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.317 -22.303 5.246 1.00 0.00 C ATOM 67 OH TYR A 4 -7.207 -22.870 4.385 1.00 0.00 O ATOM 0 H TYR A 4 -2.591 -18.027 7.658 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.782 -19.371 9.122 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.508 -20.390 7.441 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.175 -21.375 8.727 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.643 -19.359 6.845 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.501 -23.084 7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.275 -20.362 5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.124 -24.098 5.439 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.565 -22.183 3.785 1.00 0.00 H new ATOM 77 N ARG A 5 -3.146 -19.968 11.094 1.00 0.00 N ATOM 78 CA ARG A 5 -2.245 -20.339 12.180 1.00 0.00 C ATOM 79 C ARG A 5 -2.375 -21.849 12.314 1.00 0.00 C ATOM 80 O ARG A 5 -3.479 -22.374 12.169 1.00 0.00 O ATOM 81 CB ARG A 5 -2.619 -19.607 13.482 1.00 0.00 C ATOM 82 CG ARG A 5 -1.549 -19.775 14.581 1.00 0.00 C ATOM 83 CD ARG A 5 -2.033 -19.285 15.951 1.00 0.00 C ATOM 84 NE ARG A 5 -2.308 -17.836 15.954 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.488 -16.859 16.366 1.00 0.00 C ATOM 86 NH1 ARG A 5 -0.312 -17.122 16.933 1.00 0.00 N ATOM 87 NH2 ARG A 5 -1.857 -15.593 16.200 1.00 0.00 N ATOM 0 H ARG A 5 -4.091 -20.330 11.222 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.214 -20.053 11.974 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.757 -18.546 13.272 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.573 -19.986 13.847 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.268 -20.826 14.653 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.652 -19.224 14.298 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.937 -19.826 16.231 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.279 -19.512 16.705 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.221 -17.546 15.605 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.014 -18.089 17.064 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.290 -16.357 17.236 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.753 -15.376 15.764 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.244 -14.838 16.508 1.00 0.00 H new ATOM 101 N ILE A 6 -1.273 -22.549 12.550 1.00 0.00 N ATOM 102 CA ILE A 6 -1.226 -24.006 12.594 1.00 0.00 C ATOM 103 C ILE A 6 -0.436 -24.358 13.854 1.00 0.00 C ATOM 104 O ILE A 6 0.544 -23.681 14.173 1.00 0.00 O ATOM 105 CB ILE A 6 -0.585 -24.578 11.302 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.223 -24.021 10.002 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.639 -26.118 11.296 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.380 -24.258 8.744 1.00 0.00 C ATOM 0 H ILE A 6 -0.368 -22.111 12.720 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.221 -24.449 12.637 1.00 0.00 H new ATOM 0 HB ILE A 6 0.454 -24.249 11.313 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.201 -24.481 9.863 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.388 -22.950 10.120 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.184 -26.494 10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.094 -26.505 12.158 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.677 -26.446 11.346 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.893 -23.840 7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.590 -23.774 8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.236 -25.329 8.599 1.00 0.00 H new ATOM 120 N ILE A 7 -0.842 -25.416 14.550 1.00 0.00 N ATOM 121 CA ILE A 7 -0.197 -25.932 15.752 1.00 0.00 C ATOM 122 C ILE A 7 0.004 -27.427 15.493 1.00 0.00 C ATOM 123 O ILE A 7 -0.871 -28.059 14.896 1.00 0.00 O ATOM 124 CB ILE A 7 -1.076 -25.659 17.002 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.530 -24.185 17.167 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.367 -26.139 18.284 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.410 -23.179 17.453 1.00 0.00 C ATOM 0 H ILE A 7 -1.663 -25.959 14.281 1.00 0.00 H new ATOM 0 HA ILE A 7 0.757 -25.446 15.957 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.987 -26.234 16.837 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.047 -23.878 16.258 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.256 -24.135 17.979 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.001 -25.938 19.148 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.177 -27.210 18.215 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.579 -25.609 18.397 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.835 -22.180 17.551 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.095 -23.451 18.380 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.307 -23.190 16.632 1.00 0.00 H new ATOM 139 N VAL A 8 1.142 -27.992 15.901 1.00 0.00 N ATOM 140 CA VAL A 8 1.521 -29.366 15.558 1.00 0.00 C ATOM 141 C VAL A 8 2.133 -30.033 16.791 1.00 0.00 C ATOM 142 O VAL A 8 2.850 -29.372 17.543 1.00 0.00 O ATOM 143 CB VAL A 8 2.522 -29.380 14.376 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.470 -30.730 13.649 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.309 -28.272 13.327 1.00 0.00 C ATOM 0 H VAL A 8 1.829 -27.509 16.480 1.00 0.00 H new ATOM 0 HA VAL A 8 0.635 -29.919 15.247 1.00 0.00 H new ATOM 0 HB VAL A 8 3.492 -29.200 14.840 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.179 -30.725 12.821 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.730 -31.528 14.344 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.464 -30.898 13.264 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.058 -28.366 12.541 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.314 -28.368 12.893 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.404 -27.296 13.804 1.00 0.00 H new ATOM 155 N ASP A 9 1.904 -31.334 16.978 1.00 0.00 N ATOM 156 CA ASP A 9 2.440 -32.127 18.083 1.00 0.00 C ATOM 157 C ASP A 9 2.850 -33.514 17.573 1.00 0.00 C ATOM 158 O ASP A 9 2.368 -33.959 16.528 1.00 0.00 O ATOM 159 CB ASP A 9 1.384 -32.257 19.189 1.00 0.00 C ATOM 160 CG ASP A 9 1.899 -33.013 20.428 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.091 -32.878 20.780 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.098 -33.728 21.070 1.00 0.00 O ATOM 0 H ASP A 9 1.322 -31.881 16.344 1.00 0.00 H new ATOM 0 HA ASP A 9 3.318 -31.629 18.493 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.055 -31.262 19.488 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.511 -32.775 18.791 1.00 0.00 H new ATOM 167 N GLY A 10 3.754 -34.178 18.291 1.00 0.00 N ATOM 168 CA GLY A 10 4.347 -35.463 17.944 1.00 0.00 C ATOM 169 C GLY A 10 5.843 -35.432 18.238 1.00 0.00 C ATOM 170 O GLY A 10 6.309 -34.568 18.990 1.00 0.00 O ATOM 0 H GLY A 10 4.109 -33.814 19.175 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.871 -36.261 18.514 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.178 -35.680 16.889 1.00 0.00 H new ATOM 174 N ARG A 11 6.628 -36.317 17.613 1.00 0.00 N ATOM 175 CA ARG A 11 8.057 -36.049 17.448 1.00 0.00 C ATOM 176 C ARG A 11 8.154 -35.007 16.341 1.00 0.00 C ATOM 177 O ARG A 11 8.220 -35.355 15.162 1.00 0.00 O ATOM 178 CB ARG A 11 8.875 -37.325 17.159 1.00 0.00 C ATOM 179 CG ARG A 11 10.378 -37.060 16.928 1.00 0.00 C ATOM 180 CD ARG A 11 11.112 -36.426 18.123 1.00 0.00 C ATOM 181 NE ARG A 11 12.476 -35.990 17.764 1.00 0.00 N ATOM 182 CZ ARG A 11 13.560 -36.768 17.639 1.00 0.00 C ATOM 183 NH1 ARG A 11 13.506 -38.061 17.951 1.00 0.00 N ATOM 184 NH2 ARG A 11 14.703 -36.252 17.196 1.00 0.00 N ATOM 0 H ARG A 11 6.307 -37.203 17.223 1.00 0.00 H new ATOM 0 HA ARG A 11 8.498 -35.673 18.371 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.761 -38.016 17.994 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.463 -37.819 16.279 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.865 -38.003 16.679 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.489 -36.406 16.063 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.542 -35.571 18.487 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.164 -37.146 18.940 1.00 0.00 H new ATOM 0 HE ARG A 11 12.607 -34.993 17.593 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.634 -38.468 18.289 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.337 -38.645 17.852 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.755 -35.263 16.951 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.527 -36.845 17.101 1.00 0.00 H new ATOM 198 N VAL A 12 8.097 -33.737 16.721 1.00 0.00 N ATOM 199 CA VAL A 12 8.069 -32.601 15.804 1.00 0.00 C ATOM 200 C VAL A 12 9.100 -31.548 16.242 1.00 0.00 C ATOM 201 O VAL A 12 8.983 -30.376 15.896 1.00 0.00 O ATOM 202 CB VAL A 12 6.624 -32.059 15.685 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.677 -33.119 15.101 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.041 -31.563 17.020 1.00 0.00 C ATOM 0 H VAL A 12 8.068 -33.459 17.702 1.00 0.00 H new ATOM 0 HA VAL A 12 8.362 -32.910 14.800 1.00 0.00 H new ATOM 0 HB VAL A 12 6.697 -31.204 15.013 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.670 -32.708 15.030 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.022 -33.408 14.108 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.666 -33.995 15.750 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.026 -31.198 16.861 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.023 -32.384 17.736 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.660 -30.755 17.410 1.00 0.00 H new ATOM 214 N GLN A 13 10.096 -31.956 17.038 1.00 0.00 N ATOM 215 CA GLN A 13 11.144 -31.094 17.568 1.00 0.00 C ATOM 216 C GLN A 13 12.463 -31.854 17.480 1.00 0.00 C ATOM 217 O GLN A 13 12.471 -33.085 17.629 1.00 0.00 O ATOM 218 CB GLN A 13 10.864 -30.715 19.034 1.00 0.00 C ATOM 219 CG GLN A 13 9.410 -30.322 19.336 1.00 0.00 C ATOM 220 CD GLN A 13 9.295 -29.529 20.637 1.00 0.00 C ATOM 221 OE1 GLN A 13 9.662 -29.997 21.713 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.795 -28.308 20.561 1.00 0.00 N ATOM 0 H GLN A 13 10.192 -32.927 17.337 1.00 0.00 H new ATOM 0 HA GLN A 13 11.184 -30.172 16.988 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.137 -31.557 19.670 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.514 -29.884 19.309 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.016 -29.728 18.512 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.797 -31.221 19.403 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.495 -27.935 19.660 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.709 -27.739 21.403 1.00 0.00 H new ATOM 231 N GLY A 14 13.569 -31.142 17.284 1.00 0.00 N ATOM 232 CA GLY A 14 14.869 -31.758 17.093 1.00 0.00 C ATOM 233 C GLY A 14 14.853 -32.666 15.865 1.00 0.00 C ATOM 234 O GLY A 14 15.364 -33.786 15.935 1.00 0.00 O ATOM 0 H GLY A 14 13.584 -30.123 17.254 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.630 -30.987 16.973 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.138 -32.336 17.977 1.00 0.00 H new ATOM 238 N VAL A 15 14.217 -32.225 14.778 1.00 0.00 N ATOM 239 CA VAL A 15 14.067 -32.980 13.532 1.00 0.00 C ATOM 240 C VAL A 15 14.286 -32.093 12.296 1.00 0.00 C ATOM 241 O VAL A 15 14.443 -32.624 11.194 1.00 0.00 O ATOM 242 CB VAL A 15 12.700 -33.705 13.484 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.658 -34.897 14.446 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.499 -32.790 13.776 1.00 0.00 C ATOM 0 H VAL A 15 13.779 -31.305 14.739 1.00 0.00 H new ATOM 0 HA VAL A 15 14.846 -33.742 13.513 1.00 0.00 H new ATOM 0 HB VAL A 15 12.609 -34.051 12.454 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.683 -35.380 14.384 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.435 -35.611 14.174 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.826 -34.548 15.465 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.578 -33.371 13.724 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.602 -32.362 14.773 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.465 -31.988 13.038 1.00 0.00 H new ATOM 254 N GLY A 16 14.356 -30.770 12.454 1.00 0.00 N ATOM 255 CA GLY A 16 14.476 -29.813 11.375 1.00 0.00 C ATOM 256 C GLY A 16 13.102 -29.257 11.011 1.00 0.00 C ATOM 257 O GLY A 16 12.926 -28.831 9.869 1.00 0.00 O ATOM 0 H GLY A 16 14.329 -30.329 13.373 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.139 -29.000 11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.926 -30.290 10.504 1.00 0.00 H new ATOM 261 N PHE A 17 12.119 -29.296 11.917 1.00 0.00 N ATOM 262 CA PHE A 17 10.743 -28.951 11.584 1.00 0.00 C ATOM 263 C PHE A 17 10.651 -27.484 11.169 1.00 0.00 C ATOM 264 O PHE A 17 9.999 -27.171 10.172 1.00 0.00 O ATOM 265 CB PHE A 17 9.785 -29.281 12.739 1.00 0.00 C ATOM 266 CG PHE A 17 8.394 -29.670 12.272 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.507 -28.697 11.773 1.00 0.00 C ATOM 268 CD2 PHE A 17 7.983 -31.016 12.323 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.221 -29.066 11.335 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.698 -31.384 11.891 1.00 0.00 C ATOM 271 CZ PHE A 17 5.815 -30.410 11.393 1.00 0.00 C ATOM 0 H PHE A 17 12.258 -29.565 12.891 1.00 0.00 H new ATOM 0 HA PHE A 17 10.431 -29.560 10.736 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.204 -30.097 13.328 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.711 -28.417 13.399 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.815 -27.663 11.726 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.660 -31.770 12.697 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.545 -28.315 10.954 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.388 -32.417 11.942 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.829 -30.694 11.056 1.00 0.00 H new ATOM 281 N ARG A 18 11.347 -26.577 11.866 1.00 0.00 N ATOM 282 CA ARG A 18 11.418 -25.172 11.459 1.00 0.00 C ATOM 283 C ARG A 18 11.932 -25.028 10.027 1.00 0.00 C ATOM 284 O ARG A 18 11.336 -24.292 9.241 1.00 0.00 O ATOM 285 CB ARG A 18 12.300 -24.401 12.454 1.00 0.00 C ATOM 286 CG ARG A 18 11.501 -24.002 13.705 1.00 0.00 C ATOM 287 CD ARG A 18 12.405 -23.565 14.861 1.00 0.00 C ATOM 288 NE ARG A 18 12.971 -24.712 15.586 1.00 0.00 N ATOM 289 CZ ARG A 18 13.623 -24.644 16.749 1.00 0.00 C ATOM 290 NH1 ARG A 18 13.890 -23.458 17.300 1.00 0.00 N ATOM 291 NH2 ARG A 18 13.987 -25.755 17.369 1.00 0.00 N ATOM 0 H ARG A 18 11.869 -26.794 12.715 1.00 0.00 H new ATOM 0 HA ARG A 18 10.414 -24.748 11.473 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.152 -25.017 12.743 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.701 -23.508 11.974 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.819 -23.189 13.453 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.888 -24.845 14.025 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.215 -22.947 14.473 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.834 -22.946 15.553 1.00 0.00 H new ATOM 0 HE ARG A 18 12.856 -25.635 15.166 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.596 -22.601 16.832 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.388 -23.409 18.189 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.769 -26.663 16.958 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.485 -25.703 18.258 1.00 0.00 H new ATOM 305 N TYR A 19 13.002 -25.734 9.660 1.00 0.00 N ATOM 306 CA TYR A 19 13.577 -25.652 8.326 1.00 0.00 C ATOM 307 C TYR A 19 12.649 -26.264 7.277 1.00 0.00 C ATOM 308 O TYR A 19 12.497 -25.698 6.195 1.00 0.00 O ATOM 309 CB TYR A 19 14.949 -26.333 8.321 1.00 0.00 C ATOM 310 CG TYR A 19 16.014 -25.520 9.034 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.616 -24.427 8.379 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.379 -25.827 10.361 1.00 0.00 C ATOM 313 CE1 TYR A 19 17.576 -23.642 9.043 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.339 -25.046 11.030 1.00 0.00 C ATOM 315 CZ TYR A 19 17.941 -23.947 10.374 1.00 0.00 C ATOM 316 OH TYR A 19 18.872 -23.177 11.008 1.00 0.00 O ATOM 0 H TYR A 19 13.491 -26.377 10.282 1.00 0.00 H new ATOM 0 HA TYR A 19 13.701 -24.602 8.061 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.866 -27.310 8.797 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.260 -26.505 7.291 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.339 -24.191 7.362 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.920 -26.664 10.865 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.034 -22.806 8.536 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.617 -25.286 12.046 1.00 0.00 H new ATOM 0 HH TYR A 19 19.012 -23.515 11.917 1.00 0.00 H new ATOM 326 N PHE A 20 11.992 -27.383 7.593 1.00 0.00 N ATOM 327 CA PHE A 20 10.991 -27.992 6.727 1.00 0.00 C ATOM 328 C PHE A 20 9.881 -26.986 6.425 1.00 0.00 C ATOM 329 O PHE A 20 9.601 -26.716 5.258 1.00 0.00 O ATOM 330 CB PHE A 20 10.451 -29.278 7.371 1.00 0.00 C ATOM 331 CG PHE A 20 9.232 -29.870 6.684 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.378 -30.640 5.514 1.00 0.00 C ATOM 333 CD2 PHE A 20 7.944 -29.644 7.212 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.246 -31.183 4.880 1.00 0.00 C ATOM 335 CE2 PHE A 20 6.812 -30.177 6.571 1.00 0.00 C ATOM 336 CZ PHE A 20 6.963 -30.953 5.408 1.00 0.00 C ATOM 0 H PHE A 20 12.144 -27.892 8.464 1.00 0.00 H new ATOM 0 HA PHE A 20 11.446 -28.271 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.245 -30.025 7.379 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.199 -29.069 8.411 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.361 -30.814 5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.827 -29.059 8.112 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.362 -31.778 3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.827 -29.991 6.972 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.095 -31.372 4.921 1.00 0.00 H new ATOM 346 N VAL A 21 9.296 -26.372 7.453 1.00 0.00 N ATOM 347 CA VAL A 21 8.236 -25.390 7.272 1.00 0.00 C ATOM 348 C VAL A 21 8.753 -24.181 6.476 1.00 0.00 C ATOM 349 O VAL A 21 8.033 -23.687 5.610 1.00 0.00 O ATOM 350 CB VAL A 21 7.647 -25.021 8.648 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.597 -23.913 8.558 1.00 0.00 C ATOM 352 CG2 VAL A 21 6.944 -26.234 9.281 1.00 0.00 C ATOM 0 H VAL A 21 9.544 -26.542 8.428 1.00 0.00 H new ATOM 0 HA VAL A 21 7.424 -25.809 6.678 1.00 0.00 H new ATOM 0 HB VAL A 21 8.493 -24.684 9.248 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.215 -23.692 9.555 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.050 -23.016 8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.777 -24.240 7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.535 -25.952 10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.136 -26.567 8.630 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.662 -27.044 9.411 1.00 0.00 H new ATOM 362 N GLN A 22 9.997 -23.737 6.698 1.00 0.00 N ATOM 363 CA GLN A 22 10.591 -22.635 5.952 1.00 0.00 C ATOM 364 C GLN A 22 10.624 -22.971 4.457 1.00 0.00 C ATOM 365 O GLN A 22 10.199 -22.146 3.648 1.00 0.00 O ATOM 366 CB GLN A 22 11.989 -22.321 6.513 1.00 0.00 C ATOM 367 CG GLN A 22 12.648 -21.096 5.860 1.00 0.00 C ATOM 368 CD GLN A 22 12.005 -19.751 6.211 1.00 0.00 C ATOM 369 OE1 GLN A 22 11.356 -19.586 7.237 1.00 0.00 O ATOM 370 NE2 GLN A 22 12.179 -18.747 5.369 1.00 0.00 N ATOM 0 H GLN A 22 10.616 -24.137 7.403 1.00 0.00 H new ATOM 0 HA GLN A 22 9.983 -21.738 6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.912 -22.153 7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.633 -23.189 6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.697 -21.067 6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.623 -21.222 4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.719 -18.885 4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.773 -17.834 5.573 1.00 0.00 H new ATOM 379 N MET A 23 11.095 -24.162 4.072 1.00 0.00 N ATOM 380 CA MET A 23 11.203 -24.485 2.648 1.00 0.00 C ATOM 381 C MET A 23 9.835 -24.797 2.033 1.00 0.00 C ATOM 382 O MET A 23 9.608 -24.471 0.868 1.00 0.00 O ATOM 383 CB MET A 23 12.237 -25.590 2.378 1.00 0.00 C ATOM 384 CG MET A 23 11.879 -26.978 2.918 1.00 0.00 C ATOM 385 SD MET A 23 13.066 -28.260 2.427 1.00 0.00 S ATOM 386 CE MET A 23 12.274 -29.719 3.155 1.00 0.00 C ATOM 0 H MET A 23 11.400 -24.899 4.708 1.00 0.00 H new ATOM 0 HA MET A 23 11.577 -23.593 2.145 1.00 0.00 H new ATOM 0 HB2 MET A 23 12.388 -25.667 1.301 1.00 0.00 H new ATOM 0 HB3 MET A 23 13.189 -25.286 2.812 1.00 0.00 H new ATOM 0 HG2 MET A 23 11.828 -26.936 4.006 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.886 -27.255 2.563 1.00 0.00 H new ATOM 0 HE1 MET A 23 12.716 -30.622 2.732 1.00 0.00 H new ATOM 0 HE2 MET A 23 12.423 -29.713 4.235 1.00 0.00 H new ATOM 0 HE3 MET A 23 11.206 -29.701 2.936 1.00 0.00 H new ATOM 396 N GLU A 24 8.897 -25.370 2.794 1.00 0.00 N ATOM 397 CA GLU A 24 7.550 -25.623 2.304 1.00 0.00 C ATOM 398 C GLU A 24 6.791 -24.309 2.096 1.00 0.00 C ATOM 399 O GLU A 24 6.020 -24.197 1.142 1.00 0.00 O ATOM 400 CB GLU A 24 6.802 -26.562 3.264 1.00 0.00 C ATOM 401 CG GLU A 24 7.305 -28.015 3.221 1.00 0.00 C ATOM 402 CD GLU A 24 7.139 -28.654 1.835 1.00 0.00 C ATOM 403 OE1 GLU A 24 6.060 -29.214 1.540 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.058 -28.551 0.991 1.00 0.00 O ATOM 0 H GLU A 24 9.054 -25.667 3.757 1.00 0.00 H new ATOM 0 HA GLU A 24 7.617 -26.117 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.901 -26.182 4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.740 -26.547 3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.357 -28.040 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.761 -28.606 3.958 1.00 0.00 H new ATOM 411 N ALA A 25 7.039 -23.297 2.935 1.00 0.00 N ATOM 412 CA ALA A 25 6.532 -21.953 2.713 1.00 0.00 C ATOM 413 C ALA A 25 7.195 -21.336 1.483 1.00 0.00 C ATOM 414 O ALA A 25 6.506 -20.714 0.675 1.00 0.00 O ATOM 415 CB ALA A 25 6.793 -21.079 3.942 1.00 0.00 C ATOM 0 H ALA A 25 7.597 -23.394 3.784 1.00 0.00 H new ATOM 0 HA ALA A 25 5.457 -22.010 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.408 -20.075 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.291 -21.510 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.865 -21.028 4.131 1.00 0.00 H new ATOM 421 N ASP A 26 8.511 -21.519 1.320 1.00 0.00 N ATOM 422 CA ASP A 26 9.282 -20.915 0.237 1.00 0.00 C ATOM 423 C ASP A 26 8.803 -21.412 -1.122 1.00 0.00 C ATOM 424 O ASP A 26 8.558 -20.609 -2.019 1.00 0.00 O ATOM 425 CB ASP A 26 10.778 -21.222 0.380 1.00 0.00 C ATOM 426 CG ASP A 26 11.564 -20.579 -0.773 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.521 -19.337 -0.924 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.233 -21.312 -1.534 1.00 0.00 O ATOM 0 H ASP A 26 9.072 -22.097 1.945 1.00 0.00 H new ATOM 0 HA ASP A 26 9.129 -19.838 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.145 -20.845 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.937 -22.300 0.381 1.00 0.00 H new ATOM 433 N LYS A 27 8.581 -22.724 -1.271 1.00 0.00 N ATOM 434 CA LYS A 27 8.099 -23.290 -2.534 1.00 0.00 C ATOM 435 C LYS A 27 6.645 -22.916 -2.843 1.00 0.00 C ATOM 436 O LYS A 27 6.145 -23.244 -3.920 1.00 0.00 O ATOM 437 CB LYS A 27 8.418 -24.797 -2.626 1.00 0.00 C ATOM 438 CG LYS A 27 7.658 -25.733 -1.672 1.00 0.00 C ATOM 439 CD LYS A 27 6.307 -26.208 -2.229 1.00 0.00 C ATOM 440 CE LYS A 27 5.565 -27.145 -1.266 1.00 0.00 C ATOM 441 NZ LYS A 27 6.237 -28.456 -1.106 1.00 0.00 N ATOM 0 H LYS A 27 8.728 -23.412 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 27 8.657 -22.822 -3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.221 -25.123 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.486 -24.928 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.279 -26.602 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.491 -25.218 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.681 -25.341 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.470 -26.722 -3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.481 -26.664 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.551 -27.304 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.772 -28.994 -0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.175 -28.989 -1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.237 -28.306 -0.861 1.00 0.00 H new ATOM 455 N ARG A 28 5.936 -22.243 -1.929 1.00 0.00 N ATOM 456 CA ARG A 28 4.618 -21.647 -2.146 1.00 0.00 C ATOM 457 C ARG A 28 4.674 -20.111 -2.079 1.00 0.00 C ATOM 458 O ARG A 28 3.634 -19.472 -2.230 1.00 0.00 O ATOM 459 CB ARG A 28 3.656 -22.205 -1.079 1.00 0.00 C ATOM 460 CG ARG A 28 3.291 -23.700 -1.143 1.00 0.00 C ATOM 461 CD ARG A 28 2.568 -24.158 -2.422 1.00 0.00 C ATOM 462 NE ARG A 28 3.473 -24.229 -3.583 1.00 0.00 N ATOM 463 CZ ARG A 28 3.229 -24.770 -4.780 1.00 0.00 C ATOM 464 NH1 ARG A 28 2.063 -25.351 -5.047 1.00 0.00 N ATOM 465 NH2 ARG A 28 4.186 -24.711 -5.699 1.00 0.00 N ATOM 0 H ARG A 28 6.281 -22.094 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 28 4.264 -21.905 -3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.094 -22.010 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.730 -21.633 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.206 -24.283 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.660 -23.938 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.121 -25.138 -2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.752 -23.469 -2.642 1.00 0.00 H new ATOM 0 HE ARG A 28 4.397 -23.815 -3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.337 -25.389 -4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.895 -25.759 -5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.076 -24.262 -5.481 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.031 -25.115 -6.623 1.00 0.00 H new ATOM 479 N LYS A 29 5.856 -19.514 -1.867 1.00 0.00 N ATOM 480 CA LYS A 29 6.071 -18.096 -1.561 1.00 0.00 C ATOM 481 C LYS A 29 5.014 -17.540 -0.596 1.00 0.00 C ATOM 482 O LYS A 29 4.504 -16.433 -0.784 1.00 0.00 O ATOM 483 CB LYS A 29 6.248 -17.280 -2.861 1.00 0.00 C ATOM 484 CG LYS A 29 7.438 -17.733 -3.731 1.00 0.00 C ATOM 485 CD LYS A 29 8.806 -17.497 -3.069 1.00 0.00 C ATOM 486 CE LYS A 29 9.923 -18.086 -3.939 1.00 0.00 C ATOM 487 NZ LYS A 29 11.257 -17.929 -3.312 1.00 0.00 N ATOM 0 H LYS A 29 6.731 -20.036 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 29 7.008 -17.996 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.333 -17.351 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.380 -16.229 -2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.330 -18.794 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.406 -17.201 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.970 -16.429 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.824 -17.956 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.727 -19.144 -4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.920 -17.596 -4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.967 -18.443 -3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.507 -16.920 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.234 -18.314 -2.346 1.00 0.00 H new ATOM 501 N LEU A 30 4.678 -18.315 0.442 1.00 0.00 N ATOM 502 CA LEU A 30 3.920 -17.821 1.585 1.00 0.00 C ATOM 503 C LEU A 30 4.797 -16.836 2.363 1.00 0.00 C ATOM 504 O LEU A 30 6.020 -16.813 2.197 1.00 0.00 O ATOM 505 CB LEU A 30 3.498 -18.999 2.484 1.00 0.00 C ATOM 506 CG LEU A 30 2.469 -19.953 1.849 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.208 -21.140 2.776 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.136 -19.269 1.536 1.00 0.00 C ATOM 0 H LEU A 30 4.927 -19.302 0.508 1.00 0.00 H new ATOM 0 HA LEU A 30 3.017 -17.314 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.386 -19.570 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.083 -18.602 3.410 1.00 0.00 H new ATOM 0 HG LEU A 30 2.901 -20.288 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.479 -21.807 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.139 -21.681 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.820 -20.779 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.452 -19.991 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.702 -18.879 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.303 -18.449 0.838 1.00 0.00 H new ATOM 520 N ALA A 31 4.184 -16.065 3.259 1.00 0.00 N ATOM 521 CA ALA A 31 4.872 -15.204 4.217 1.00 0.00 C ATOM 522 C ALA A 31 4.295 -15.487 5.606 1.00 0.00 C ATOM 523 O ALA A 31 3.187 -16.015 5.691 1.00 0.00 O ATOM 524 CB ALA A 31 4.680 -13.745 3.806 1.00 0.00 C ATOM 0 H ALA A 31 3.168 -16.021 3.340 1.00 0.00 H new ATOM 0 HA ALA A 31 5.944 -15.403 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.191 -13.096 4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.095 -13.590 2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.616 -13.506 3.797 1.00 0.00 H new ATOM 530 N GLY A 32 5.030 -15.205 6.685 1.00 0.00 N ATOM 531 CA GLY A 32 4.640 -15.649 8.018 1.00 0.00 C ATOM 532 C GLY A 32 5.842 -16.015 8.885 1.00 0.00 C ATOM 533 O GLY A 32 6.954 -15.522 8.663 1.00 0.00 O ATOM 0 H GLY A 32 5.898 -14.671 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.069 -14.860 8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.981 -16.513 7.932 1.00 0.00 H new ATOM 537 N TRP A 33 5.638 -16.891 9.870 1.00 0.00 N ATOM 538 CA TRP A 33 6.704 -17.396 10.715 1.00 0.00 C ATOM 539 C TRP A 33 6.469 -18.844 11.139 1.00 0.00 C ATOM 540 O TRP A 33 5.347 -19.352 11.079 1.00 0.00 O ATOM 541 CB TRP A 33 6.914 -16.485 11.941 1.00 0.00 C ATOM 542 CG TRP A 33 5.799 -16.365 12.950 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.231 -17.379 13.646 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.162 -15.151 13.459 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.276 -16.889 14.509 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.207 -15.514 14.458 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.312 -13.771 13.200 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.447 -14.565 15.158 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.552 -12.808 13.892 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.620 -13.201 14.870 1.00 0.00 C ATOM 0 H TRP A 33 4.719 -17.269 10.100 1.00 0.00 H new ATOM 0 HA TRP A 33 7.617 -17.385 10.120 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.801 -16.838 12.468 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.138 -15.483 11.575 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.490 -18.422 13.539 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.693 -17.471 15.110 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.024 -13.447 12.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.738 -14.879 15.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.686 -11.760 13.670 1.00 0.00 H new ATOM 0 HH2 TRP A 33 3.040 -12.457 15.397 1.00 0.00 H new ATOM 561 N VAL A 34 7.517 -19.475 11.670 1.00 0.00 N ATOM 562 CA VAL A 34 7.447 -20.746 12.380 1.00 0.00 C ATOM 563 C VAL A 34 8.316 -20.643 13.631 1.00 0.00 C ATOM 564 O VAL A 34 9.407 -20.075 13.580 1.00 0.00 O ATOM 565 CB VAL A 34 7.852 -21.908 11.446 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.245 -21.763 10.805 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.766 -23.262 12.170 1.00 0.00 C ATOM 0 H VAL A 34 8.465 -19.102 11.614 1.00 0.00 H new ATOM 0 HA VAL A 34 6.427 -20.963 12.696 1.00 0.00 H new ATOM 0 HB VAL A 34 7.128 -21.866 10.632 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.443 -22.624 10.167 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.277 -20.852 10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.002 -21.710 11.588 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.057 -24.059 11.486 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.436 -23.258 13.029 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.743 -23.429 12.508 1.00 0.00 H new ATOM 577 N LYS A 35 7.856 -21.221 14.740 1.00 0.00 N ATOM 578 CA LYS A 35 8.614 -21.369 15.977 1.00 0.00 C ATOM 579 C LYS A 35 8.351 -22.766 16.529 1.00 0.00 C ATOM 580 O LYS A 35 7.336 -23.382 16.193 1.00 0.00 O ATOM 581 CB LYS A 35 8.247 -20.259 16.982 1.00 0.00 C ATOM 582 CG LYS A 35 6.788 -20.301 17.467 1.00 0.00 C ATOM 583 CD LYS A 35 6.514 -19.184 18.483 1.00 0.00 C ATOM 584 CE LYS A 35 5.046 -19.251 18.922 1.00 0.00 C ATOM 585 NZ LYS A 35 4.693 -18.225 19.934 1.00 0.00 N ATOM 0 H LYS A 35 6.915 -21.611 14.802 1.00 0.00 H new ATOM 0 HA LYS A 35 9.682 -21.260 15.787 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.907 -20.335 17.846 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.436 -19.290 16.520 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.115 -20.197 16.616 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.580 -21.270 17.921 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.170 -19.293 19.347 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.730 -18.212 18.040 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.406 -19.126 18.049 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.840 -20.241 19.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.690 -18.321 20.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.281 -18.357 20.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.861 -17.277 19.540 1.00 0.00 H new ATOM 599 N ASN A 36 9.245 -23.267 17.380 1.00 0.00 N ATOM 600 CA ASN A 36 9.125 -24.606 17.945 1.00 0.00 C ATOM 601 C ASN A 36 9.191 -24.472 19.459 1.00 0.00 C ATOM 602 O ASN A 36 10.210 -24.045 20.008 1.00 0.00 O ATOM 603 CB ASN A 36 10.175 -25.560 17.350 1.00 0.00 C ATOM 604 CG ASN A 36 9.639 -26.983 17.266 1.00 0.00 C ATOM 605 OD1 ASN A 36 8.681 -27.330 17.953 1.00 0.00 O ATOM 606 ND2 ASN A 36 10.186 -27.810 16.399 1.00 0.00 N ATOM 0 H ASN A 36 10.070 -22.756 17.695 1.00 0.00 H new ATOM 0 HA ASN A 36 8.170 -25.062 17.684 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.461 -25.217 16.356 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.075 -25.543 17.964 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.815 -28.754 16.290 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.981 -27.507 15.836 1.00 0.00 H new ATOM 613 N ARG A 37 8.049 -24.661 20.112 1.00 0.00 N ATOM 614 CA ARG A 37 7.753 -24.107 21.431 1.00 0.00 C ATOM 615 C ARG A 37 8.388 -24.979 22.507 1.00 0.00 C ATOM 616 O ARG A 37 8.371 -26.206 22.390 1.00 0.00 O ATOM 617 CB ARG A 37 6.220 -24.053 21.612 1.00 0.00 C ATOM 618 CG ARG A 37 5.494 -23.172 20.572 1.00 0.00 C ATOM 619 CD ARG A 37 4.003 -23.494 20.366 1.00 0.00 C ATOM 620 NE ARG A 37 3.236 -23.772 21.597 1.00 0.00 N ATOM 621 CZ ARG A 37 2.077 -23.204 21.964 1.00 0.00 C ATOM 622 NH1 ARG A 37 1.581 -22.127 21.356 1.00 0.00 N ATOM 623 NH2 ARG A 37 1.396 -23.753 22.963 1.00 0.00 N ATOM 0 H ARG A 37 7.284 -25.217 19.730 1.00 0.00 H new ATOM 0 HA ARG A 37 8.163 -23.101 21.518 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.822 -25.066 21.555 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.996 -23.678 22.610 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.585 -22.129 20.876 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.006 -23.271 19.615 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.536 -22.655 19.850 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.924 -24.358 19.707 1.00 0.00 H new ATOM 0 HE ARG A 37 3.627 -24.467 22.233 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.087 -21.702 20.579 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.696 -21.728 21.668 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.757 -24.585 23.430 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.512 -23.343 23.264 1.00 0.00 H new ATOM 637 N ASP A 38 8.835 -24.375 23.609 1.00 0.00 N ATOM 638 CA ASP A 38 9.257 -25.115 24.808 1.00 0.00 C ATOM 639 C ASP A 38 8.099 -25.938 25.393 1.00 0.00 C ATOM 640 O ASP A 38 8.311 -26.979 26.014 1.00 0.00 O ATOM 641 CB ASP A 38 9.795 -24.137 25.859 1.00 0.00 C ATOM 642 CG ASP A 38 10.207 -24.868 27.149 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.247 -25.562 27.151 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.515 -24.716 28.182 1.00 0.00 O ATOM 0 H ASP A 38 8.916 -23.362 23.700 1.00 0.00 H new ATOM 0 HA ASP A 38 10.047 -25.809 24.520 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.653 -23.601 25.453 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.033 -23.392 26.089 1.00 0.00 H new ATOM 649 N ASP A 39 6.864 -25.502 25.121 1.00 0.00 N ATOM 650 CA ASP A 39 5.610 -26.200 25.416 1.00 0.00 C ATOM 651 C ASP A 39 5.501 -27.573 24.724 1.00 0.00 C ATOM 652 O ASP A 39 4.694 -28.406 25.137 1.00 0.00 O ATOM 653 CB ASP A 39 4.463 -25.278 24.983 1.00 0.00 C ATOM 654 CG ASP A 39 3.086 -25.944 25.021 1.00 0.00 C ATOM 655 OD1 ASP A 39 2.563 -26.225 26.122 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.498 -26.109 23.925 1.00 0.00 O ATOM 0 H ASP A 39 6.705 -24.604 24.664 1.00 0.00 H new ATOM 0 HA ASP A 39 5.567 -26.414 26.484 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.450 -24.401 25.631 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.657 -24.924 23.971 1.00 0.00 H new ATOM 661 N GLY A 40 6.324 -27.840 23.702 1.00 0.00 N ATOM 662 CA GLY A 40 6.456 -29.154 23.074 1.00 0.00 C ATOM 663 C GLY A 40 5.819 -29.234 21.684 1.00 0.00 C ATOM 664 O GLY A 40 5.833 -30.302 21.071 1.00 0.00 O ATOM 0 H GLY A 40 6.927 -27.132 23.283 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.514 -29.405 22.995 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.997 -29.904 23.719 1.00 0.00 H new ATOM 668 N ARG A 41 5.254 -28.130 21.185 1.00 0.00 N ATOM 669 CA ARG A 41 4.477 -28.078 19.949 1.00 0.00 C ATOM 670 C ARG A 41 5.178 -27.169 18.954 1.00 0.00 C ATOM 671 O ARG A 41 5.855 -26.228 19.361 1.00 0.00 O ATOM 672 CB ARG A 41 3.067 -27.542 20.253 1.00 0.00 C ATOM 673 CG ARG A 41 2.270 -28.486 21.162 1.00 0.00 C ATOM 674 CD ARG A 41 0.877 -27.919 21.460 1.00 0.00 C ATOM 675 NE ARG A 41 0.057 -28.872 22.228 1.00 0.00 N ATOM 676 CZ ARG A 41 0.054 -29.032 23.560 1.00 0.00 C ATOM 677 NH1 ARG A 41 0.825 -28.288 24.347 1.00 0.00 N ATOM 678 NH2 ARG A 41 -0.733 -29.955 24.104 1.00 0.00 N ATOM 0 H ARG A 41 5.329 -27.223 21.646 1.00 0.00 H new ATOM 0 HA ARG A 41 4.393 -29.078 19.523 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.147 -26.564 20.729 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.526 -27.398 19.318 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.175 -29.461 20.685 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.811 -28.640 22.096 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.974 -26.988 22.019 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.374 -27.677 20.524 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.572 -29.471 21.693 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.435 -27.579 23.940 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.807 -28.427 25.357 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.327 -30.533 23.510 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.743 -30.085 25.116 1.00 0.00 H new ATOM 692 N VAL A 42 4.971 -27.380 17.662 1.00 0.00 N ATOM 693 CA VAL A 42 5.330 -26.375 16.670 1.00 0.00 C ATOM 694 C VAL A 42 4.152 -25.407 16.609 1.00 0.00 C ATOM 695 O VAL A 42 3.000 -25.820 16.782 1.00 0.00 O ATOM 696 CB VAL A 42 5.597 -27.005 15.281 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.386 -26.049 14.372 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.359 -28.332 15.351 1.00 0.00 C ATOM 0 H VAL A 42 4.560 -28.231 17.278 1.00 0.00 H new ATOM 0 HA VAL A 42 6.254 -25.870 16.950 1.00 0.00 H new ATOM 0 HB VAL A 42 4.607 -27.197 14.866 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.556 -26.523 13.405 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.818 -25.130 14.230 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.345 -25.815 14.835 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.512 -28.717 14.343 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.326 -28.172 15.829 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.783 -29.052 15.931 1.00 0.00 H new ATOM 708 N GLU A 43 4.431 -24.142 16.312 1.00 0.00 N ATOM 709 CA GLU A 43 3.423 -23.159 15.964 1.00 0.00 C ATOM 710 C GLU A 43 3.902 -22.427 14.717 1.00 0.00 C ATOM 711 O GLU A 43 5.091 -22.140 14.555 1.00 0.00 O ATOM 712 CB GLU A 43 3.166 -22.238 17.160 1.00 0.00 C ATOM 713 CG GLU A 43 2.325 -20.994 16.829 1.00 0.00 C ATOM 714 CD GLU A 43 1.800 -20.263 18.077 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.280 -20.530 19.205 1.00 0.00 O ATOM 716 OE2 GLU A 43 0.916 -19.392 17.911 1.00 0.00 O ATOM 0 H GLU A 43 5.381 -23.770 16.308 1.00 0.00 H new ATOM 0 HA GLU A 43 2.463 -23.620 15.733 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.661 -22.807 17.940 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.124 -21.917 17.569 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.928 -20.303 16.239 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.480 -21.290 16.208 1.00 0.00 H new ATOM 723 N ILE A 44 2.960 -22.148 13.825 1.00 0.00 N ATOM 724 CA ILE A 44 3.189 -21.591 12.509 1.00 0.00 C ATOM 725 C ILE A 44 2.103 -20.535 12.323 1.00 0.00 C ATOM 726 O ILE A 44 0.965 -20.733 12.756 1.00 0.00 O ATOM 727 CB ILE A 44 3.079 -22.691 11.419 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.693 -24.061 11.810 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.696 -22.170 10.114 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.522 -25.166 10.760 1.00 0.00 C ATOM 0 H ILE A 44 1.971 -22.314 14.014 1.00 0.00 H new ATOM 0 HA ILE A 44 4.188 -21.165 12.418 1.00 0.00 H new ATOM 0 HB ILE A 44 2.015 -22.893 11.292 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.757 -23.924 12.003 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.239 -24.393 12.744 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.622 -22.938 9.344 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.161 -21.278 9.789 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.745 -21.923 10.280 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.982 -26.086 11.121 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.460 -25.337 10.582 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.002 -24.861 9.830 1.00 0.00 H new ATOM 742 N LEU A 45 2.427 -19.449 11.633 1.00 0.00 N ATOM 743 CA LEU A 45 1.483 -18.443 11.174 1.00 0.00 C ATOM 744 C LEU A 45 1.874 -18.207 9.725 1.00 0.00 C ATOM 745 O LEU A 45 3.059 -18.027 9.452 1.00 0.00 O ATOM 746 CB LEU A 45 1.605 -17.195 12.067 1.00 0.00 C ATOM 747 CG LEU A 45 0.520 -16.122 11.843 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.563 -15.121 13.003 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.695 -15.337 10.533 1.00 0.00 C ATOM 0 H LEU A 45 3.390 -19.239 11.369 1.00 0.00 H new ATOM 0 HA LEU A 45 0.435 -18.735 11.236 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.573 -17.509 13.110 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.582 -16.742 11.900 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.432 -16.649 11.787 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.201 -14.358 12.854 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.376 -15.643 13.941 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.545 -14.649 13.040 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.103 -14.600 10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.659 -14.829 10.539 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.653 -16.025 9.688 1.00 0.00 H new ATOM 761 N ALA A 46 0.924 -18.261 8.794 1.00 0.00 N ATOM 762 CA ALA A 46 1.192 -18.148 7.369 1.00 0.00 C ATOM 763 C ALA A 46 0.125 -17.283 6.717 1.00 0.00 C ATOM 764 O ALA A 46 -1.007 -17.231 7.193 1.00 0.00 O ATOM 765 CB ALA A 46 1.213 -19.545 6.741 1.00 0.00 C ATOM 0 H ALA A 46 -0.064 -18.386 9.014 1.00 0.00 H new ATOM 0 HA ALA A 46 2.164 -17.679 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.414 -19.461 5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.993 -20.143 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.247 -20.026 6.892 1.00 0.00 H new ATOM 771 N GLU A 47 0.472 -16.625 5.619 1.00 0.00 N ATOM 772 CA GLU A 47 -0.377 -15.693 4.896 1.00 0.00 C ATOM 773 C GLU A 47 -0.159 -15.943 3.408 1.00 0.00 C ATOM 774 O GLU A 47 0.986 -16.107 2.971 1.00 0.00 O ATOM 775 CB GLU A 47 -0.024 -14.242 5.266 1.00 0.00 C ATOM 776 CG GLU A 47 -0.426 -13.936 6.715 1.00 0.00 C ATOM 777 CD GLU A 47 -0.095 -12.525 7.195 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.667 -11.769 6.555 1.00 0.00 O ATOM 779 OE2 GLU A 47 -0.559 -12.171 8.297 1.00 0.00 O ATOM 0 H GLU A 47 1.392 -16.732 5.191 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.425 -15.844 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.046 -14.080 5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.533 -13.555 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.499 -14.096 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.068 -14.652 7.372 1.00 0.00 H new ATOM 786 N GLY A 48 -1.251 -16.002 2.640 1.00 0.00 N ATOM 787 CA GLY A 48 -1.184 -16.375 1.230 1.00 0.00 C ATOM 788 C GLY A 48 -2.554 -16.709 0.652 1.00 0.00 C ATOM 789 O GLY A 48 -3.566 -16.464 1.313 1.00 0.00 O ATOM 0 H GLY A 48 -2.192 -15.795 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.742 -15.557 0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.525 -17.235 1.115 1.00 0.00 H new ATOM 793 N PRO A 49 -2.621 -17.222 -0.588 1.00 0.00 N ATOM 794 CA PRO A 49 -3.866 -17.695 -1.178 1.00 0.00 C ATOM 795 C PRO A 49 -4.302 -19.014 -0.528 1.00 0.00 C ATOM 796 O PRO A 49 -3.479 -19.814 -0.076 1.00 0.00 O ATOM 797 CB PRO A 49 -3.572 -17.844 -2.673 1.00 0.00 C ATOM 798 CG PRO A 49 -2.077 -18.147 -2.722 1.00 0.00 C ATOM 799 CD PRO A 49 -1.508 -17.400 -1.512 1.00 0.00 C ATOM 0 HA PRO A 49 -4.696 -17.007 -1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.158 -18.648 -3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.814 -16.933 -3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.884 -19.218 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.629 -17.799 -3.653 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.702 -17.968 -1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.090 -16.438 -1.809 1.00 0.00 H new ATOM 807 N GLU A 50 -5.613 -19.258 -0.516 1.00 0.00 N ATOM 808 CA GLU A 50 -6.234 -20.365 0.207 1.00 0.00 C ATOM 809 C GLU A 50 -5.726 -21.731 -0.275 1.00 0.00 C ATOM 810 O GLU A 50 -5.575 -22.651 0.526 1.00 0.00 O ATOM 811 CB GLU A 50 -7.759 -20.238 0.048 1.00 0.00 C ATOM 812 CG GLU A 50 -8.542 -21.222 0.927 1.00 0.00 C ATOM 813 CD GLU A 50 -10.054 -21.153 0.645 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.520 -21.762 -0.346 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.799 -20.506 1.415 1.00 0.00 O ATOM 0 H GLU A 50 -6.285 -18.679 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.962 -20.308 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.060 -19.220 0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.024 -20.403 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.184 -22.236 0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.357 -20.999 1.978 1.00 0.00 H new ATOM 822 N ASN A 51 -5.452 -21.898 -1.574 1.00 0.00 N ATOM 823 CA ASN A 51 -4.975 -23.183 -2.095 1.00 0.00 C ATOM 824 C ASN A 51 -3.554 -23.489 -1.623 1.00 0.00 C ATOM 825 O ASN A 51 -3.243 -24.631 -1.273 1.00 0.00 O ATOM 826 CB ASN A 51 -5.028 -23.200 -3.629 1.00 0.00 C ATOM 827 CG ASN A 51 -4.513 -24.535 -4.166 1.00 0.00 C ATOM 828 OD1 ASN A 51 -5.135 -25.575 -3.968 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.377 -24.543 -4.845 1.00 0.00 N ATOM 0 H ASN A 51 -5.551 -21.166 -2.278 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.637 -23.956 -1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.052 -23.036 -3.966 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.427 -22.384 -4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.008 -25.421 -5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.871 -23.672 -5.002 1.00 0.00 H new ATOM 836 N ALA A 52 -2.694 -22.469 -1.583 1.00 0.00 N ATOM 837 CA ALA A 52 -1.331 -22.622 -1.090 1.00 0.00 C ATOM 838 C ALA A 52 -1.355 -22.924 0.405 1.00 0.00 C ATOM 839 O ALA A 52 -0.645 -23.819 0.855 1.00 0.00 O ATOM 840 CB ALA A 52 -0.518 -21.355 -1.368 1.00 0.00 C ATOM 0 H ALA A 52 -2.923 -21.524 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.856 -23.453 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.498 -21.485 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.488 -21.170 -2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.984 -20.507 -0.866 1.00 0.00 H new ATOM 846 N LEU A 53 -2.193 -22.216 1.168 1.00 0.00 N ATOM 847 CA LEU A 53 -2.318 -22.412 2.606 1.00 0.00 C ATOM 848 C LEU A 53 -2.851 -23.813 2.923 1.00 0.00 C ATOM 849 O LEU A 53 -2.339 -24.463 3.833 1.00 0.00 O ATOM 850 CB LEU A 53 -3.224 -21.320 3.192 1.00 0.00 C ATOM 851 CG LEU A 53 -2.585 -19.917 3.226 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.652 -18.879 3.578 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.446 -19.819 4.251 1.00 0.00 C ATOM 0 H LEU A 53 -2.805 -21.488 0.799 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.333 -22.333 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.143 -21.274 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.505 -21.603 4.206 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.167 -19.728 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.201 -17.887 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.442 -18.900 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.075 -19.109 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.029 -18.812 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.833 -20.037 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.667 -20.538 3.999 1.00 0.00 H new ATOM 865 N GLN A 54 -3.818 -24.323 2.153 1.00 0.00 N ATOM 866 CA GLN A 54 -4.286 -25.700 2.286 1.00 0.00 C ATOM 867 C GLN A 54 -3.156 -26.690 1.995 1.00 0.00 C ATOM 868 O GLN A 54 -2.938 -27.612 2.778 1.00 0.00 O ATOM 869 CB GLN A 54 -5.462 -25.939 1.331 1.00 0.00 C ATOM 870 CG GLN A 54 -6.782 -25.392 1.885 1.00 0.00 C ATOM 871 CD GLN A 54 -7.881 -25.499 0.833 1.00 0.00 C ATOM 872 OE1 GLN A 54 -8.744 -26.373 0.881 1.00 0.00 O ATOM 873 NE2 GLN A 54 -7.845 -24.625 -0.157 1.00 0.00 N ATOM 0 H GLN A 54 -4.295 -23.792 1.424 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.618 -25.859 3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.250 -25.467 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.564 -27.008 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.068 -25.948 2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.656 -24.352 2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.120 -23.908 -0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.542 -24.668 -0.901 1.00 0.00 H new ATOM 882 N SER A 55 -2.413 -26.499 0.903 1.00 0.00 N ATOM 883 CA SER A 55 -1.315 -27.395 0.539 1.00 0.00 C ATOM 884 C SER A 55 -0.227 -27.395 1.626 1.00 0.00 C ATOM 885 O SER A 55 0.333 -28.437 1.973 1.00 0.00 O ATOM 886 CB SER A 55 -0.739 -26.966 -0.819 1.00 0.00 C ATOM 887 OG SER A 55 -1.750 -26.892 -1.813 1.00 0.00 O ATOM 0 H SER A 55 -2.554 -25.726 0.252 1.00 0.00 H new ATOM 0 HA SER A 55 -1.694 -28.414 0.457 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.254 -25.995 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.028 -27.675 -1.131 1.00 0.00 H new ATOM 0 HG SER A 55 -2.245 -26.052 -1.714 1.00 0.00 H new ATOM 893 N PHE A 56 0.041 -26.227 2.206 1.00 0.00 N ATOM 894 CA PHE A 56 0.979 -26.049 3.297 1.00 0.00 C ATOM 895 C PHE A 56 0.502 -26.800 4.544 1.00 0.00 C ATOM 896 O PHE A 56 1.301 -27.510 5.150 1.00 0.00 O ATOM 897 CB PHE A 56 1.137 -24.543 3.512 1.00 0.00 C ATOM 898 CG PHE A 56 2.096 -24.103 4.592 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.487 -24.208 4.391 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.599 -23.476 5.751 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.372 -23.652 5.329 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.487 -22.914 6.679 1.00 0.00 C ATOM 903 CZ PHE A 56 3.871 -22.977 6.455 1.00 0.00 C ATOM 0 H PHE A 56 -0.405 -25.357 1.917 1.00 0.00 H new ATOM 0 HA PHE A 56 1.956 -26.474 3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.459 -24.098 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.155 -24.128 3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.871 -24.715 3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.534 -23.428 5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.438 -23.743 5.185 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.106 -22.432 7.567 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.552 -22.506 7.149 1.00 0.00 H new ATOM 913 N VAL A 57 -0.790 -26.737 4.893 1.00 0.00 N ATOM 914 CA VAL A 57 -1.352 -27.552 5.968 1.00 0.00 C ATOM 915 C VAL A 57 -1.122 -29.032 5.654 1.00 0.00 C ATOM 916 O VAL A 57 -0.579 -29.736 6.502 1.00 0.00 O ATOM 917 CB VAL A 57 -2.841 -27.206 6.203 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.582 -28.241 7.064 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.971 -25.851 6.907 1.00 0.00 C ATOM 0 H VAL A 57 -1.467 -26.123 4.440 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.843 -27.331 6.906 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.293 -27.191 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.621 -27.935 7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.547 -29.214 6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.105 -28.310 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.025 -25.623 7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.460 -25.890 7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.520 -25.075 6.288 1.00 0.00 H new ATOM 929 N GLU A 58 -1.472 -29.497 4.448 1.00 0.00 N ATOM 930 CA GLU A 58 -1.349 -30.902 4.048 1.00 0.00 C ATOM 931 C GLU A 58 0.092 -31.398 4.232 1.00 0.00 C ATOM 932 O GLU A 58 0.315 -32.516 4.697 1.00 0.00 O ATOM 933 CB GLU A 58 -1.791 -31.088 2.585 1.00 0.00 C ATOM 934 CG GLU A 58 -3.298 -30.918 2.344 1.00 0.00 C ATOM 935 CD GLU A 58 -4.083 -32.207 2.635 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.272 -33.032 1.712 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.535 -32.394 3.786 1.00 0.00 O ATOM 0 H GLU A 58 -1.853 -28.899 3.714 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.002 -31.494 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.254 -30.371 1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.494 -32.083 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.676 -30.114 2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.467 -30.618 1.310 1.00 0.00 H new ATOM 944 N ALA A 59 1.068 -30.548 3.910 1.00 0.00 N ATOM 945 CA ALA A 59 2.483 -30.842 4.083 1.00 0.00 C ATOM 946 C ALA A 59 2.846 -30.933 5.567 1.00 0.00 C ATOM 947 O ALA A 59 3.519 -31.875 5.988 1.00 0.00 O ATOM 948 CB ALA A 59 3.328 -29.773 3.386 1.00 0.00 C ATOM 0 H ALA A 59 0.891 -29.624 3.516 1.00 0.00 H new ATOM 0 HA ALA A 59 2.693 -31.810 3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.386 -30.000 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.092 -29.759 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.109 -28.797 3.819 1.00 0.00 H new ATOM 954 N VAL A 60 2.384 -29.981 6.377 1.00 0.00 N ATOM 955 CA VAL A 60 2.616 -29.964 7.816 1.00 0.00 C ATOM 956 C VAL A 60 1.977 -31.187 8.495 1.00 0.00 C ATOM 957 O VAL A 60 2.517 -31.645 9.502 1.00 0.00 O ATOM 958 CB VAL A 60 2.159 -28.605 8.390 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.214 -28.555 9.921 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.070 -27.471 7.885 1.00 0.00 C ATOM 0 H VAL A 60 1.831 -29.191 6.045 1.00 0.00 H new ATOM 0 HA VAL A 60 3.681 -30.053 8.029 1.00 0.00 H new ATOM 0 HB VAL A 60 1.129 -28.481 8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.881 -27.576 10.265 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.563 -29.325 10.334 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.237 -28.728 10.254 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.733 -26.521 8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.096 -27.661 8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.027 -27.427 6.797 1.00 0.00 H new ATOM 970 N LYS A 61 0.903 -31.782 7.947 1.00 0.00 N ATOM 971 CA LYS A 61 0.370 -33.039 8.485 1.00 0.00 C ATOM 972 C LYS A 61 1.432 -34.138 8.458 1.00 0.00 C ATOM 973 O LYS A 61 1.491 -34.942 9.388 1.00 0.00 O ATOM 974 CB LYS A 61 -0.874 -33.547 7.736 1.00 0.00 C ATOM 975 CG LYS A 61 -2.025 -32.546 7.623 1.00 0.00 C ATOM 976 CD LYS A 61 -3.287 -33.202 7.051 1.00 0.00 C ATOM 977 CE LYS A 61 -4.456 -32.210 7.106 1.00 0.00 C ATOM 978 NZ LYS A 61 -5.609 -32.669 6.299 1.00 0.00 N ATOM 0 H LYS A 61 0.395 -31.416 7.142 1.00 0.00 H new ATOM 0 HA LYS A 61 0.077 -32.812 9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.575 -33.847 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.241 -34.441 8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.244 -32.130 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.724 -31.715 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.111 -33.515 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.532 -34.099 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.769 -32.075 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.124 -31.237 6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.457 -32.131 6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.409 -32.517 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.772 -33.682 6.471 1.00 0.00 H new ATOM 992 N ASN A 62 2.254 -34.195 7.403 1.00 0.00 N ATOM 993 CA ASN A 62 3.351 -35.149 7.321 1.00 0.00 C ATOM 994 C ASN A 62 4.505 -34.710 8.220 1.00 0.00 C ATOM 995 O ASN A 62 5.090 -35.531 8.927 1.00 0.00 O ATOM 996 CB ASN A 62 3.849 -35.304 5.876 1.00 0.00 C ATOM 997 CG ASN A 62 4.833 -36.467 5.771 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.428 -37.611 5.589 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.128 -36.224 5.878 1.00 0.00 N ATOM 0 H ASN A 62 2.173 -33.583 6.591 1.00 0.00 H new ATOM 0 HA ASN A 62 2.977 -36.115 7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.003 -35.474 5.210 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.331 -34.382 5.550 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.798 -36.990 5.809 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.457 -35.270 6.029 1.00 0.00 H new ATOM 1006 N GLY A 63 4.818 -33.413 8.190 1.00 0.00 N ATOM 1007 CA GLY A 63 6.016 -32.865 8.803 1.00 0.00 C ATOM 1008 C GLY A 63 7.260 -33.239 7.995 1.00 0.00 C ATOM 1009 O GLY A 63 7.158 -33.806 6.900 1.00 0.00 O ATOM 0 H GLY A 63 4.236 -32.711 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.932 -31.780 8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.113 -33.240 9.822 1.00 0.00 H new ATOM 1013 N SER A 64 8.434 -32.917 8.534 1.00 0.00 N ATOM 1014 CA SER A 64 9.720 -33.335 7.977 1.00 0.00 C ATOM 1015 C SER A 64 9.791 -34.872 7.885 1.00 0.00 C ATOM 1016 O SER A 64 9.086 -35.565 8.623 1.00 0.00 O ATOM 1017 CB SER A 64 10.885 -32.762 8.814 1.00 0.00 C ATOM 1018 OG SER A 64 10.461 -31.921 9.875 1.00 0.00 O ATOM 0 H SER A 64 8.521 -32.352 9.379 1.00 0.00 H new ATOM 0 HA SER A 64 9.813 -32.937 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.466 -33.587 9.225 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.550 -32.199 8.159 1.00 0.00 H new ATOM 0 HG SER A 64 10.055 -32.465 10.581 1.00 0.00 H new ATOM 1024 N PRO A 65 10.670 -35.444 7.043 1.00 0.00 N ATOM 1025 CA PRO A 65 10.757 -36.895 6.879 1.00 0.00 C ATOM 1026 C PRO A 65 11.203 -37.610 8.165 1.00 0.00 C ATOM 1027 O PRO A 65 10.861 -38.775 8.373 1.00 0.00 O ATOM 1028 CB PRO A 65 11.726 -37.125 5.714 1.00 0.00 C ATOM 1029 CG PRO A 65 12.574 -35.854 5.686 1.00 0.00 C ATOM 1030 CD PRO A 65 11.605 -34.771 6.153 1.00 0.00 C ATOM 0 HA PRO A 65 9.778 -37.323 6.665 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.340 -38.011 5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.194 -37.271 4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.437 -35.933 6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.956 -35.648 4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.132 -33.969 6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.086 -34.318 5.308 1.00 0.00 H new ATOM 1038 N PHE A 66 11.943 -36.915 9.037 1.00 0.00 N ATOM 1039 CA PHE A 66 12.386 -37.433 10.329 1.00 0.00 C ATOM 1040 C PHE A 66 11.309 -37.287 11.416 1.00 0.00 C ATOM 1041 O PHE A 66 11.435 -37.895 12.481 1.00 0.00 O ATOM 1042 CB PHE A 66 13.667 -36.694 10.751 1.00 0.00 C ATOM 1043 CG PHE A 66 14.773 -36.711 9.709 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.437 -37.915 9.404 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.123 -35.529 9.025 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.442 -37.937 8.421 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.127 -35.553 8.041 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.787 -36.758 7.737 1.00 0.00 C ATOM 0 H PHE A 66 12.254 -35.960 8.858 1.00 0.00 H new ATOM 0 HA PHE A 66 12.582 -38.499 10.218 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.416 -35.658 10.980 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.044 -37.141 11.671 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.174 -38.823 9.926 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.619 -34.603 9.257 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.950 -38.862 8.191 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.392 -34.646 7.518 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.557 -36.777 6.980 1.00 0.00 H new ATOM 1058 N SER A 67 10.276 -36.469 11.190 1.00 0.00 N ATOM 1059 CA SER A 67 9.226 -36.201 12.158 1.00 0.00 C ATOM 1060 C SER A 67 8.224 -37.357 12.212 1.00 0.00 C ATOM 1061 O SER A 67 8.101 -38.146 11.271 1.00 0.00 O ATOM 1062 CB SER A 67 8.516 -34.894 11.779 1.00 0.00 C ATOM 1063 OG SER A 67 9.473 -33.897 11.453 1.00 0.00 O ATOM 0 H SER A 67 10.151 -35.969 10.310 1.00 0.00 H new ATOM 0 HA SER A 67 9.671 -36.102 13.148 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.853 -35.064 10.931 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.894 -34.555 12.607 1.00 0.00 H new ATOM 0 HG SER A 67 10.352 -34.163 11.796 1.00 0.00 H new ATOM 1069 N LYS A 68 7.456 -37.403 13.301 1.00 0.00 N ATOM 1070 CA LYS A 68 6.298 -38.271 13.494 1.00 0.00 C ATOM 1071 C LYS A 68 5.233 -37.396 14.140 1.00 0.00 C ATOM 1072 O LYS A 68 5.122 -37.353 15.366 1.00 0.00 O ATOM 1073 CB LYS A 68 6.635 -39.511 14.353 1.00 0.00 C ATOM 1074 CG LYS A 68 7.646 -40.495 13.734 1.00 0.00 C ATOM 1075 CD LYS A 68 7.166 -41.221 12.466 1.00 0.00 C ATOM 1076 CE LYS A 68 5.958 -42.131 12.740 1.00 0.00 C ATOM 1077 NZ LYS A 68 5.547 -42.897 11.536 1.00 0.00 N ATOM 0 H LYS A 68 7.634 -36.807 14.110 1.00 0.00 H new ATOM 0 HA LYS A 68 5.950 -38.681 12.546 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.027 -39.171 15.312 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.710 -40.050 14.559 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.560 -39.950 13.497 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.906 -41.242 14.484 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.900 -40.485 11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.983 -41.817 12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.203 -42.825 13.544 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.121 -41.525 13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.729 -43.496 11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.287 -42.236 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.336 -43.496 11.219 1.00 0.00 H new ATOM 1091 N VAL A 69 4.516 -36.625 13.324 1.00 0.00 N ATOM 1092 CA VAL A 69 3.358 -35.855 13.768 1.00 0.00 C ATOM 1093 C VAL A 69 2.328 -36.846 14.330 1.00 0.00 C ATOM 1094 O VAL A 69 2.121 -37.916 13.748 1.00 0.00 O ATOM 1095 CB VAL A 69 2.796 -35.049 12.573 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.538 -34.247 12.945 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.835 -34.070 11.998 1.00 0.00 C ATOM 0 H VAL A 69 4.724 -36.517 12.331 1.00 0.00 H new ATOM 0 HA VAL A 69 3.622 -35.140 14.547 1.00 0.00 H new ATOM 0 HB VAL A 69 2.538 -35.795 11.822 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.184 -33.700 12.071 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.759 -34.929 13.286 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.778 -33.543 13.742 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.398 -33.525 11.161 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.137 -33.364 12.772 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.707 -34.626 11.653 1.00 0.00 H new ATOM 1107 N THR A 70 1.657 -36.483 15.423 1.00 0.00 N ATOM 1108 CA THR A 70 0.587 -37.268 16.031 1.00 0.00 C ATOM 1109 C THR A 70 -0.704 -36.449 16.152 1.00 0.00 C ATOM 1110 O THR A 70 -1.786 -37.036 16.238 1.00 0.00 O ATOM 1111 CB THR A 70 1.048 -37.809 17.397 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.418 -36.741 18.247 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.253 -38.746 17.263 1.00 0.00 C ATOM 0 H THR A 70 1.848 -35.614 15.921 1.00 0.00 H new ATOM 0 HA THR A 70 0.363 -38.116 15.384 1.00 0.00 H new ATOM 0 HB THR A 70 0.209 -38.364 17.816 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.708 -37.097 19.113 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.546 -39.105 18.250 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.986 -39.594 16.633 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.085 -38.206 16.811 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.629 -35.112 16.104 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.789 -34.225 16.125 1.00 0.00 C ATOM 1123 C ASP A 71 -1.438 -32.909 15.434 1.00 0.00 C ATOM 1124 O ASP A 71 -0.273 -32.501 15.411 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.231 -33.961 17.574 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.469 -33.052 17.639 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.457 -33.322 16.920 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.466 -32.083 18.429 1.00 0.00 O ATOM 0 H ASP A 71 0.258 -34.612 16.049 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.613 -34.701 15.593 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.451 -34.909 18.065 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.412 -33.499 18.125 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.445 -32.242 14.872 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.327 -30.971 14.171 1.00 0.00 C ATOM 1135 C ILE A 72 -3.663 -30.233 14.342 1.00 0.00 C ATOM 1136 O ILE A 72 -4.724 -30.867 14.358 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.931 -31.216 12.689 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.678 -29.879 11.956 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.940 -32.106 11.931 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.234 -30.035 10.495 1.00 0.00 C ATOM 0 H ILE A 72 -3.404 -32.590 14.895 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.535 -30.345 14.582 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.996 -31.776 12.703 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.591 -29.284 11.985 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.915 -29.320 12.498 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.606 -32.239 10.902 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.006 -33.078 12.420 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.920 -31.630 11.936 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.078 -29.050 10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.303 -30.601 10.456 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.005 -30.565 9.935 1.00 0.00 H new ATOM 1152 N SER A 73 -3.613 -28.904 14.440 1.00 0.00 N ATOM 1153 CA SER A 73 -4.774 -28.028 14.558 1.00 0.00 C ATOM 1154 C SER A 73 -4.529 -26.790 13.695 1.00 0.00 C ATOM 1155 O SER A 73 -3.376 -26.409 13.482 1.00 0.00 O ATOM 1156 CB SER A 73 -4.984 -27.627 16.027 1.00 0.00 C ATOM 1157 OG SER A 73 -5.115 -28.762 16.870 1.00 0.00 O ATOM 0 H SER A 73 -2.731 -28.392 14.439 1.00 0.00 H new ATOM 0 HA SER A 73 -5.672 -28.544 14.218 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.143 -27.021 16.362 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.877 -27.007 16.111 1.00 0.00 H new ATOM 0 HG SER A 73 -5.245 -28.468 17.796 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.601 -26.160 13.208 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.543 -25.024 12.294 1.00 0.00 C ATOM 1165 C VAL A 74 -6.603 -24.004 12.730 1.00 0.00 C ATOM 1166 O VAL A 74 -7.689 -24.379 13.183 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.763 -25.493 10.831 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.544 -24.355 9.820 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.838 -26.655 10.430 1.00 0.00 C ATOM 0 H VAL A 74 -6.554 -26.435 13.446 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.560 -24.555 12.330 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.800 -25.829 10.802 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.709 -24.729 8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.244 -23.546 10.026 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.523 -23.982 9.907 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.038 -26.939 9.397 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.798 -26.342 10.525 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.021 -27.508 11.083 1.00 0.00 H new ATOM 1179 N THR A 75 -6.290 -22.721 12.559 1.00 0.00 N ATOM 1180 CA THR A 75 -7.184 -21.578 12.716 1.00 0.00 C ATOM 1181 C THR A 75 -6.924 -20.665 11.505 1.00 0.00 C ATOM 1182 O THR A 75 -5.879 -20.785 10.859 1.00 0.00 O ATOM 1183 CB THR A 75 -6.897 -20.871 14.062 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.695 -21.802 15.114 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.031 -19.937 14.499 1.00 0.00 C ATOM 0 H THR A 75 -5.348 -22.436 12.291 1.00 0.00 H new ATOM 0 HA THR A 75 -8.234 -21.868 12.743 1.00 0.00 H new ATOM 0 HB THR A 75 -5.993 -20.290 13.881 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.515 -21.319 15.948 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.772 -19.470 15.449 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.178 -19.165 13.744 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.950 -20.511 14.615 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.842 -19.757 11.173 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.732 -18.899 9.995 1.00 0.00 C ATOM 1195 C GLU A 76 -8.372 -17.533 10.255 1.00 0.00 C ATOM 1196 O GLU A 76 -9.094 -17.350 11.240 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.342 -19.603 8.767 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.856 -19.844 8.881 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.406 -20.598 7.659 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.434 -21.851 7.672 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.854 -19.947 6.688 1.00 0.00 O ATOM 0 H GLU A 76 -8.689 -19.596 11.719 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.678 -18.719 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.145 -19.002 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.841 -20.560 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.066 -20.415 9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.370 -18.888 8.980 1.00 0.00 H new ATOM 1208 N SER A 77 -8.104 -16.566 9.379 1.00 0.00 N ATOM 1209 CA SER A 77 -8.681 -15.227 9.378 1.00 0.00 C ATOM 1210 C SER A 77 -8.582 -14.652 7.963 1.00 0.00 C ATOM 1211 O SER A 77 -7.625 -14.939 7.240 1.00 0.00 O ATOM 1212 CB SER A 77 -7.894 -14.335 10.353 1.00 0.00 C ATOM 1213 OG SER A 77 -8.036 -14.806 11.684 1.00 0.00 O ATOM 0 H SER A 77 -7.445 -16.705 8.613 1.00 0.00 H new ATOM 0 HA SER A 77 -9.725 -15.267 9.689 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.840 -14.325 10.075 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.252 -13.308 10.285 1.00 0.00 H new ATOM 0 HG SER A 77 -8.538 -15.647 11.681 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.547 -13.815 7.563 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.392 -12.991 6.364 1.00 0.00 C ATOM 1221 C ARG A 78 -8.416 -11.850 6.647 1.00 0.00 C ATOM 1222 O ARG A 78 -7.562 -11.555 5.812 1.00 0.00 O ATOM 1223 CB ARG A 78 -10.755 -12.491 5.875 1.00 0.00 C ATOM 1224 CG ARG A 78 -10.611 -11.777 4.519 1.00 0.00 C ATOM 1225 CD ARG A 78 -11.907 -11.853 3.712 1.00 0.00 C ATOM 1226 NE ARG A 78 -13.018 -11.125 4.354 1.00 0.00 N ATOM 1227 CZ ARG A 78 -14.303 -11.173 3.976 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -14.678 -11.919 2.939 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -15.212 -10.469 4.641 1.00 0.00 N ATOM 0 H ARG A 78 -10.435 -13.693 8.049 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.972 -13.591 5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.444 -13.330 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.183 -11.808 6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.342 -10.733 4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.799 -12.231 3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.736 -11.443 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.189 -12.898 3.582 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.789 -10.535 5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.985 -12.461 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.659 -11.948 2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.931 -9.895 5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.191 -10.503 4.357 1.00 0.00 H new ATOM 1243 N SER A 79 -8.522 -11.239 7.829 1.00 0.00 N ATOM 1244 CA SER A 79 -7.567 -10.278 8.346 1.00 0.00 C ATOM 1245 C SER A 79 -6.179 -10.920 8.370 1.00 0.00 C ATOM 1246 O SER A 79 -6.032 -12.087 8.744 1.00 0.00 O ATOM 1247 CB SER A 79 -8.002 -9.843 9.753 1.00 0.00 C ATOM 1248 OG SER A 79 -9.385 -9.511 9.770 1.00 0.00 O ATOM 0 H SER A 79 -9.301 -11.410 8.465 1.00 0.00 H new ATOM 0 HA SER A 79 -7.529 -9.394 7.709 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.807 -10.646 10.464 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.412 -8.984 10.072 1.00 0.00 H new ATOM 0 HG SER A 79 -9.645 -9.238 10.675 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.171 -10.153 7.965 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.780 -10.578 7.869 1.00 0.00 C ATOM 1256 C LEU A 80 -2.881 -9.361 8.083 1.00 0.00 C ATOM 1257 O LEU A 80 -3.319 -8.224 7.888 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.545 -11.303 6.527 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.732 -10.490 5.227 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -2.481 -9.700 4.822 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.067 -11.459 4.086 1.00 0.00 C ATOM 0 H LEU A 80 -5.307 -9.182 7.684 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.530 -11.301 8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.529 -11.697 6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.218 -12.159 6.486 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.532 -9.773 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.679 -9.151 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.222 -8.998 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.652 -10.389 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.202 -10.899 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.252 -12.172 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.986 -11.996 4.322 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.637 -9.593 8.499 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.697 -8.542 8.879 1.00 0.00 C ATOM 1275 C GLU A 81 0.136 -8.073 7.678 1.00 0.00 C ATOM 1276 O GLU A 81 0.613 -6.935 7.677 1.00 0.00 O ATOM 1277 CB GLU A 81 0.203 -9.041 10.024 1.00 0.00 C ATOM 1278 CG GLU A 81 -0.381 -8.766 11.420 1.00 0.00 C ATOM 1279 CD GLU A 81 -1.739 -9.446 11.685 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -1.764 -10.642 12.050 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -2.787 -8.766 11.593 1.00 0.00 O ATOM 0 H GLU A 81 -1.248 -10.532 8.583 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.263 -7.678 9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.364 -10.113 9.910 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.179 -8.562 9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.333 -9.102 12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.496 -7.690 11.547 1.00 0.00 H new ATOM 1288 N GLY A 82 0.287 -8.906 6.644 1.00 0.00 N ATOM 1289 CA GLY A 82 1.006 -8.554 5.427 1.00 0.00 C ATOM 1290 C GLY A 82 2.502 -8.793 5.604 1.00 0.00 C ATOM 1291 O GLY A 82 3.312 -7.912 5.300 1.00 0.00 O ATOM 0 H GLY A 82 -0.093 -9.853 6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.633 -9.147 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.825 -7.508 5.180 1.00 0.00 H new ATOM 1295 N HIS A 83 2.868 -9.956 6.151 1.00 0.00 N ATOM 1296 CA HIS A 83 4.253 -10.353 6.356 1.00 0.00 C ATOM 1297 C HIS A 83 5.024 -10.226 5.035 1.00 0.00 C ATOM 1298 O HIS A 83 4.517 -10.587 3.971 1.00 0.00 O ATOM 1299 CB HIS A 83 4.301 -11.789 6.897 1.00 0.00 C ATOM 1300 CG HIS A 83 3.811 -11.932 8.316 1.00 0.00 C ATOM 1301 ND1 HIS A 83 2.501 -11.892 8.737 1.00 0.00 N ATOM 1302 CD2 HIS A 83 4.579 -12.175 9.423 1.00 0.00 C ATOM 1303 CE1 HIS A 83 2.477 -12.112 10.059 1.00 0.00 C ATOM 1304 NE2 HIS A 83 3.726 -12.286 10.528 1.00 0.00 N ATOM 0 H HIS A 83 2.195 -10.655 6.467 1.00 0.00 H new ATOM 0 HA HIS A 83 4.725 -9.699 7.089 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.700 -12.429 6.251 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.327 -12.152 6.840 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.655 -12.265 9.441 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.582 -12.145 10.662 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.997 -12.463 11.495 1.00 0.00 H new ATOM 1312 N HIS A 84 6.251 -9.700 5.102 1.00 0.00 N ATOM 1313 CA HIS A 84 7.071 -9.430 3.919 1.00 0.00 C ATOM 1314 C HIS A 84 7.951 -10.636 3.536 1.00 0.00 C ATOM 1315 O HIS A 84 8.536 -10.649 2.451 1.00 0.00 O ATOM 1316 CB HIS A 84 7.942 -8.188 4.175 1.00 0.00 C ATOM 1317 CG HIS A 84 7.202 -6.874 4.335 1.00 0.00 C ATOM 1318 ND1 HIS A 84 5.858 -6.668 4.584 1.00 0.00 N ATOM 1319 CD2 HIS A 84 7.781 -5.634 4.253 1.00 0.00 C ATOM 1320 CE1 HIS A 84 5.641 -5.344 4.651 1.00 0.00 C ATOM 1321 NE2 HIS A 84 6.786 -4.664 4.454 1.00 0.00 N ATOM 0 H HIS A 84 6.704 -9.449 5.981 1.00 0.00 H new ATOM 0 HA HIS A 84 6.402 -9.245 3.078 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.531 -8.362 5.076 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.646 -8.087 3.349 1.00 0.00 H new ATOM 0 HD1 HIS A 84 5.153 -7.396 4.697 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.826 -5.437 4.065 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.680 -4.888 4.837 1.00 0.00 H new ATOM 1329 N ARG A 85 8.066 -11.640 4.411 1.00 0.00 N ATOM 1330 CA ARG A 85 8.894 -12.837 4.248 1.00 0.00 C ATOM 1331 C ARG A 85 8.290 -13.959 5.088 1.00 0.00 C ATOM 1332 O ARG A 85 7.415 -13.693 5.915 1.00 0.00 O ATOM 1333 CB ARG A 85 10.353 -12.553 4.676 1.00 0.00 C ATOM 1334 CG ARG A 85 10.503 -11.811 6.020 1.00 0.00 C ATOM 1335 CD ARG A 85 11.964 -11.813 6.492 1.00 0.00 C ATOM 1336 NE ARG A 85 12.272 -10.656 7.353 1.00 0.00 N ATOM 1337 CZ ARG A 85 12.125 -10.565 8.682 1.00 0.00 C ATOM 1338 NH1 ARG A 85 11.621 -11.569 9.393 1.00 0.00 N ATOM 1339 NH2 ARG A 85 12.488 -9.447 9.302 1.00 0.00 N ATOM 0 H ARG A 85 7.559 -11.639 5.296 1.00 0.00 H new ATOM 0 HA ARG A 85 8.914 -13.134 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.889 -13.500 4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.837 -11.964 3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.153 -10.784 5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.874 -12.285 6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.167 -12.734 7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.624 -11.805 5.625 1.00 0.00 H new ATOM 0 HE ARG A 85 12.640 -9.829 6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.337 -12.431 8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.518 -11.477 10.404 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.874 -8.669 8.767 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.381 -9.367 10.313 1.00 0.00 H new ATOM 1353 N PHE A 86 8.758 -15.195 4.910 1.00 0.00 N ATOM 1354 CA PHE A 86 8.520 -16.262 5.872 1.00 0.00 C ATOM 1355 C PHE A 86 9.781 -16.395 6.724 1.00 0.00 C ATOM 1356 O PHE A 86 10.882 -16.340 6.162 1.00 0.00 O ATOM 1357 CB PHE A 86 8.165 -17.575 5.167 1.00 0.00 C ATOM 1358 CG PHE A 86 7.307 -18.457 6.052 1.00 0.00 C ATOM 1359 CD1 PHE A 86 7.887 -19.220 7.082 1.00 0.00 C ATOM 1360 CD2 PHE A 86 5.909 -18.439 5.906 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.074 -19.943 7.968 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.095 -19.147 6.803 1.00 0.00 C ATOM 1363 CZ PHE A 86 5.677 -19.894 7.837 1.00 0.00 C ATOM 0 H PHE A 86 9.308 -15.479 4.100 1.00 0.00 H new ATOM 0 HA PHE A 86 7.667 -16.024 6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.635 -17.361 4.239 1.00 0.00 H new ATOM 0 HB3 PHE A 86 9.079 -18.105 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.961 -19.249 7.191 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.460 -17.878 5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.523 -20.537 8.750 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.021 -19.117 6.697 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.050 -20.432 8.533 1.00 0.00 H new ATOM 1373 N SER A 87 9.646 -16.564 8.043 1.00 0.00 N ATOM 1374 CA SER A 87 10.791 -16.494 8.952 1.00 0.00 C ATOM 1375 C SER A 87 10.795 -17.636 9.975 1.00 0.00 C ATOM 1376 O SER A 87 9.769 -17.939 10.588 1.00 0.00 O ATOM 1377 CB SER A 87 10.760 -15.139 9.676 1.00 0.00 C ATOM 1378 OG SER A 87 10.459 -14.073 8.781 1.00 0.00 O ATOM 0 H SER A 87 8.755 -16.750 8.504 1.00 0.00 H new ATOM 0 HA SER A 87 11.702 -16.596 8.363 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.016 -15.168 10.472 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.725 -14.956 10.149 1.00 0.00 H new ATOM 0 HG SER A 87 9.735 -13.527 9.154 1.00 0.00 H new ATOM 1384 N ILE A 88 11.964 -18.229 10.231 1.00 0.00 N ATOM 1385 CA ILE A 88 12.169 -19.057 11.414 1.00 0.00 C ATOM 1386 C ILE A 88 12.294 -18.104 12.610 1.00 0.00 C ATOM 1387 O ILE A 88 12.905 -17.036 12.510 1.00 0.00 O ATOM 1388 CB ILE A 88 13.411 -19.964 11.235 1.00 0.00 C ATOM 1389 CG1 ILE A 88 13.204 -20.933 10.046 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.693 -20.764 12.521 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.482 -21.646 9.597 1.00 0.00 C ATOM 0 H ILE A 88 12.784 -18.148 9.630 1.00 0.00 H new ATOM 0 HA ILE A 88 11.332 -19.736 11.580 1.00 0.00 H new ATOM 0 HB ILE A 88 14.270 -19.326 11.027 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.461 -21.681 10.324 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.795 -20.376 9.203 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.570 -21.394 12.372 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.877 -20.075 13.345 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.832 -21.390 12.756 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.255 -22.307 8.760 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.221 -20.907 9.286 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.882 -22.232 10.425 1.00 0.00 H new ATOM 1403 N VAL A 89 11.739 -18.515 13.746 1.00 0.00 N ATOM 1404 CA VAL A 89 11.772 -17.837 15.031 1.00 0.00 C ATOM 1405 C VAL A 89 12.159 -18.912 16.062 1.00 0.00 C ATOM 1406 O VAL A 89 11.974 -20.113 15.832 1.00 0.00 O ATOM 1407 CB VAL A 89 10.397 -17.158 15.273 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.283 -16.481 16.647 1.00 0.00 C ATOM 1409 CG2 VAL A 89 10.095 -16.090 14.206 1.00 0.00 C ATOM 0 H VAL A 89 11.219 -19.391 13.793 1.00 0.00 H new ATOM 0 HA VAL A 89 12.501 -17.029 15.096 1.00 0.00 H new ATOM 0 HB VAL A 89 9.677 -17.974 15.220 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.297 -16.027 16.748 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.423 -17.225 17.432 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.048 -15.710 16.737 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.125 -15.637 14.409 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.867 -15.321 14.232 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.079 -16.555 13.220 1.00 0.00 H new ATOM 1419 N TYR A 90 12.735 -18.492 17.192 1.00 0.00 N ATOM 1420 CA TYR A 90 13.515 -19.358 18.078 1.00 0.00 C ATOM 1421 C TYR A 90 12.936 -19.379 19.501 1.00 0.00 C ATOM 1422 O TYR A 90 13.665 -19.611 20.469 1.00 0.00 O ATOM 1423 CB TYR A 90 14.994 -18.939 18.011 1.00 0.00 C ATOM 1424 CG TYR A 90 15.579 -18.984 16.607 1.00 0.00 C ATOM 1425 CD1 TYR A 90 16.050 -20.202 16.078 1.00 0.00 C ATOM 1426 CD2 TYR A 90 15.621 -17.818 15.816 1.00 0.00 C ATOM 1427 CE1 TYR A 90 16.557 -20.258 14.767 1.00 0.00 C ATOM 1428 CE2 TYR A 90 16.121 -17.867 14.502 1.00 0.00 C ATOM 1429 CZ TYR A 90 16.593 -19.089 13.970 1.00 0.00 C ATOM 1430 OH TYR A 90 17.079 -19.156 12.699 1.00 0.00 O ATOM 0 H TYR A 90 12.671 -17.528 17.521 1.00 0.00 H new ATOM 0 HA TYR A 90 13.452 -20.392 17.740 1.00 0.00 H new ATOM 0 HB2 TYR A 90 15.094 -17.928 18.405 1.00 0.00 H new ATOM 0 HB3 TYR A 90 15.577 -19.593 18.659 1.00 0.00 H new ATOM 0 HD1 TYR A 90 16.022 -21.097 16.682 1.00 0.00 H new ATOM 0 HD2 TYR A 90 15.267 -16.881 16.221 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.919 -21.194 14.368 1.00 0.00 H new ATOM 0 HE2 TYR A 90 16.144 -16.971 13.899 1.00 0.00 H new ATOM 0 HH TYR A 90 17.034 -18.269 12.285 1.00 0.00 H new ATOM 1440 N SER A 91 11.618 -19.168 19.607 1.00 0.00 N ATOM 1441 CA SER A 91 10.831 -19.220 20.837 1.00 0.00 C ATOM 1442 C SER A 91 11.510 -18.433 21.968 1.00 0.00 C ATOM 1443 O SER A 91 11.801 -17.235 21.754 1.00 0.00 O ATOM 1444 CB SER A 91 10.543 -20.692 21.173 1.00 0.00 C ATOM 1445 OG SER A 91 10.008 -21.361 20.041 1.00 0.00 O ATOM 1446 OXT SER A 91 11.725 -18.973 23.073 1.00 0.00 O ATOM 0 H SER A 91 11.046 -18.945 18.793 1.00 0.00 H new ATOM 0 HA SER A 91 9.870 -18.724 20.700 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.460 -21.185 21.495 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.841 -20.751 22.004 1.00 0.00 H new ATOM 0 HG SER A 91 10.238 -22.313 20.085 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.450 -28.290 15.111 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.098 -29.623 14.602 1.00 0.00 O HETATM 1455 O2 PO4 A 92 12.418 -27.303 14.741 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.560 -28.331 16.578 1.00 0.00 O HETATM 1457 O4 PO4 A 92 14.749 -27.873 14.561 1.00 0.00 O