USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 521 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 32 ASN : amide:sc= -1.86 K(o=-2.7,f=-3.5) USER MOD Set 1.2: A 69 MET CE :methyl -128:sc= -0.806 (180deg=-0.544) USER MOD Set 2.1: A 8 SER OG : rot 80:sc= -0.44 USER MOD Set 2.2: A 16 ASN : amide:sc= -2.41 K(o=-2.9,f=1.2) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -148:sc= -0.233 (180deg=-1.98!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 30:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.19 K(o=-1.2,f=-1.9) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0923 K(o=-0.092,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= -0.0798 (180deg=-0.362) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 49 GLN : amide:sc= -0.719 X(o=-0.72,f=-0.46) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.158 USER MOD Single : A 67 ASN : amide:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.041 X(o=-0.041,f=-0.081) USER MOD Single : A 73 SER OG : rot -41:sc= 0.309 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.460 -1.808 -0.452 1.00 41.12 N ATOM 19 CA LYS A 2 3.597 -2.687 -0.699 1.00 41.30 C ATOM 20 C LYS A 2 3.411 -4.028 0.004 1.00 0.51 C ATOM 21 O LYS A 2 3.887 -4.225 1.122 1.00 2.22 O ATOM 22 CB LYS A 2 4.892 -2.025 -0.223 1.00 43.24 C ATOM 23 CG LYS A 2 4.812 -1.478 1.191 1.00 11.42 C ATOM 24 CD LYS A 2 4.530 0.016 1.196 1.00 21.53 C ATOM 25 CE LYS A 2 5.242 0.713 2.345 1.00 0.22 C ATOM 26 NZ LYS A 2 5.107 2.194 2.264 1.00 33.01 N ATOM 0 HA LYS A 2 3.660 -2.865 -1.772 1.00 41.30 H new ATOM 0 HB2 LYS A 2 5.703 -2.752 -0.277 1.00 43.24 H new ATOM 0 HB3 LYS A 2 5.146 -1.213 -0.904 1.00 43.24 H new ATOM 0 HG2 LYS A 2 4.028 -1.999 1.740 1.00 11.42 H new ATOM 0 HG3 LYS A 2 5.749 -1.674 1.712 1.00 11.42 H new ATOM 0 HD2 LYS A 2 4.851 0.451 0.250 1.00 21.53 H new ATOM 0 HD3 LYS A 2 3.456 0.185 1.276 1.00 21.53 H new ATOM 0 HE2 LYS A 2 4.833 0.362 3.292 1.00 0.22 H new ATOM 0 HE3 LYS A 2 6.298 0.443 2.335 1.00 0.22 H new ATOM 0 HZ1 LYS A 2 5.606 2.632 3.064 1.00 33.01 H new ATOM 0 HZ2 LYS A 2 5.520 2.532 1.372 1.00 33.01 H new ATOM 0 HZ3 LYS A 2 4.100 2.453 2.299 1.00 33.01 H new ATOM 40 N PHE A 3 2.717 -4.947 -0.659 1.00 1.23 N ATOM 41 CA PHE A 3 2.469 -6.270 -0.097 1.00 51.51 C ATOM 42 C PHE A 3 2.431 -7.328 -1.195 1.00 62.32 C ATOM 43 O PHE A 3 1.654 -7.225 -2.145 1.00 31.43 O ATOM 44 CB PHE A 3 1.151 -6.278 0.680 1.00 0.33 C ATOM 45 CG PHE A 3 0.731 -7.647 1.134 1.00 51.34 C ATOM 46 CD1 PHE A 3 1.623 -8.477 1.793 1.00 42.14 C ATOM 47 CD2 PHE A 3 -0.556 -8.104 0.900 1.00 12.51 C ATOM 48 CE1 PHE A 3 1.240 -9.737 2.211 1.00 32.13 C ATOM 49 CE2 PHE A 3 -0.945 -9.362 1.317 1.00 74.42 C ATOM 50 CZ PHE A 3 -0.046 -10.181 1.972 1.00 10.31 C ATOM 0 H PHE A 3 2.316 -4.800 -1.586 1.00 1.23 H new ATOM 0 HA PHE A 3 3.286 -6.507 0.584 1.00 51.51 H new ATOM 0 HB2 PHE A 3 1.248 -5.629 1.550 1.00 0.33 H new ATOM 0 HB3 PHE A 3 0.366 -5.855 0.053 1.00 0.33 H new ATOM 0 HD1 PHE A 3 2.630 -8.135 1.982 1.00 42.14 H new ATOM 0 HD2 PHE A 3 -1.263 -7.470 0.386 1.00 12.51 H new ATOM 0 HE1 PHE A 3 1.945 -10.374 2.724 1.00 32.13 H new ATOM 0 HE2 PHE A 3 -1.952 -9.705 1.131 1.00 74.42 H new ATOM 0 HZ PHE A 3 -0.348 -11.166 2.296 1.00 10.31 H new ATOM 60 N ILE A 4 3.276 -8.344 -1.058 1.00 65.33 N ATOM 61 CA ILE A 4 3.340 -9.422 -2.038 1.00 12.04 C ATOM 62 C ILE A 4 3.354 -10.785 -1.355 1.00 32.33 C ATOM 63 O ILE A 4 3.777 -10.912 -0.206 1.00 24.54 O ATOM 64 CB ILE A 4 4.586 -9.296 -2.933 1.00 63.23 C ATOM 65 CG1 ILE A 4 4.724 -7.864 -3.455 1.00 71.40 C ATOM 66 CG2 ILE A 4 4.509 -10.282 -4.090 1.00 4.04 C ATOM 67 CD1 ILE A 4 3.588 -7.439 -4.358 1.00 53.33 C ATOM 0 H ILE A 4 3.926 -8.444 -0.278 1.00 65.33 H new ATOM 0 HA ILE A 4 2.448 -9.338 -2.658 1.00 12.04 H new ATOM 0 HB ILE A 4 5.468 -9.532 -2.338 1.00 63.23 H new ATOM 0 HG12 ILE A 4 4.779 -7.181 -2.608 1.00 71.40 H new ATOM 0 HG13 ILE A 4 5.664 -7.773 -3.999 1.00 71.40 H new ATOM 0 HG21 ILE A 4 5.397 -10.181 -4.714 1.00 4.04 H new ATOM 0 HG22 ILE A 4 4.454 -11.298 -3.699 1.00 4.04 H new ATOM 0 HG23 ILE A 4 3.621 -10.074 -4.687 1.00 4.04 H new ATOM 0 HD11 ILE A 4 3.752 -6.414 -4.691 1.00 53.33 H new ATOM 0 HD12 ILE A 4 3.545 -8.099 -5.224 1.00 53.33 H new ATOM 0 HD13 ILE A 4 2.647 -7.497 -3.811 1.00 53.33 H new ATOM 79 N LYS A 5 2.889 -11.804 -2.070 1.00 63.12 N ATOM 80 CA LYS A 5 2.851 -13.160 -1.536 1.00 34.21 C ATOM 81 C LYS A 5 4.251 -13.761 -1.474 1.00 43.04 C ATOM 82 O LYS A 5 5.224 -13.137 -1.899 1.00 1.35 O ATOM 83 CB LYS A 5 1.943 -14.043 -2.395 1.00 73.10 C ATOM 84 CG LYS A 5 2.638 -14.627 -3.613 1.00 33.23 C ATOM 85 CD LYS A 5 3.170 -13.537 -4.527 1.00 42.23 C ATOM 86 CE LYS A 5 3.434 -14.065 -5.929 1.00 50.22 C ATOM 87 NZ LYS A 5 4.852 -13.868 -6.338 1.00 64.30 N ATOM 0 H LYS A 5 2.533 -11.716 -3.022 1.00 63.12 H new ATOM 0 HA LYS A 5 2.450 -13.113 -0.523 1.00 34.21 H new ATOM 0 HB2 LYS A 5 1.557 -14.857 -1.782 1.00 73.10 H new ATOM 0 HB3 LYS A 5 1.085 -13.457 -2.723 1.00 73.10 H new ATOM 0 HG2 LYS A 5 3.460 -15.267 -3.292 1.00 33.23 H new ATOM 0 HG3 LYS A 5 1.940 -15.257 -4.164 1.00 33.23 H new ATOM 0 HD2 LYS A 5 2.452 -12.718 -4.575 1.00 42.23 H new ATOM 0 HD3 LYS A 5 4.091 -13.129 -4.111 1.00 42.23 H new ATOM 0 HE2 LYS A 5 3.188 -15.126 -5.970 1.00 50.22 H new ATOM 0 HE3 LYS A 5 2.778 -13.559 -6.637 1.00 50.22 H new ATOM 0 HZ1 LYS A 5 4.899 -13.712 -7.365 1.00 64.30 H new ATOM 0 HZ2 LYS A 5 5.244 -13.041 -5.844 1.00 64.30 H new ATOM 0 HZ3 LYS A 5 5.405 -14.713 -6.090 1.00 64.30 H new ATOM 101 N TYR A 6 4.346 -14.976 -0.946 1.00 2.25 N ATOM 102 CA TYR A 6 5.628 -15.660 -0.828 1.00 62.21 C ATOM 103 C TYR A 6 6.093 -16.183 -2.184 1.00 41.40 C ATOM 104 O TYR A 6 5.281 -16.577 -3.023 1.00 5.34 O ATOM 105 CB TYR A 6 5.523 -16.817 0.168 1.00 44.52 C ATOM 106 CG TYR A 6 5.214 -16.373 1.580 1.00 61.31 C ATOM 107 CD1 TYR A 6 6.068 -15.516 2.263 1.00 52.01 C ATOM 108 CD2 TYR A 6 4.067 -16.811 2.231 1.00 63.52 C ATOM 109 CE1 TYR A 6 5.789 -15.109 3.553 1.00 23.33 C ATOM 110 CE2 TYR A 6 3.780 -16.409 3.521 1.00 41.23 C ATOM 111 CZ TYR A 6 4.644 -15.558 4.178 1.00 63.12 C ATOM 112 OH TYR A 6 4.363 -15.154 5.463 1.00 73.12 O ATOM 0 H TYR A 6 3.550 -15.508 -0.593 1.00 2.25 H new ATOM 0 HA TYR A 6 6.362 -14.941 -0.464 1.00 62.21 H new ATOM 0 HB2 TYR A 6 4.746 -17.504 -0.166 1.00 44.52 H new ATOM 0 HB3 TYR A 6 6.461 -17.372 0.168 1.00 44.52 H new ATOM 0 HD1 TYR A 6 6.965 -15.162 1.777 1.00 52.01 H new ATOM 0 HD2 TYR A 6 3.388 -17.477 1.719 1.00 63.52 H new ATOM 0 HE1 TYR A 6 6.464 -14.443 4.070 1.00 23.33 H new ATOM 0 HE2 TYR A 6 2.884 -16.759 4.012 1.00 41.23 H new ATOM 0 HH TYR A 6 3.520 -15.559 5.756 1.00 73.12 H new ATOM 122 N LEU A 7 7.405 -16.183 -2.392 1.00 22.10 N ATOM 123 CA LEU A 7 7.981 -16.658 -3.646 1.00 11.44 C ATOM 124 C LEU A 7 8.520 -18.076 -3.495 1.00 25.35 C ATOM 125 O LEU A 7 9.732 -18.292 -3.477 1.00 43.43 O ATOM 126 CB LEU A 7 9.100 -15.720 -4.103 1.00 31.22 C ATOM 127 CG LEU A 7 8.806 -14.223 -3.999 1.00 32.22 C ATOM 128 CD1 LEU A 7 10.005 -13.410 -4.462 1.00 74.32 C ATOM 129 CD2 LEU A 7 7.570 -13.865 -4.811 1.00 51.21 C ATOM 0 H LEU A 7 8.090 -15.860 -1.709 1.00 22.10 H new ATOM 0 HA LEU A 7 7.193 -16.668 -4.399 1.00 11.44 H new ATOM 0 HB2 LEU A 7 9.991 -15.937 -3.514 1.00 31.22 H new ATOM 0 HB3 LEU A 7 9.340 -15.952 -5.141 1.00 31.22 H new ATOM 0 HG LEU A 7 8.612 -13.982 -2.954 1.00 32.22 H new ATOM 0 HD11 LEU A 7 9.777 -12.347 -4.381 1.00 74.32 H new ATOM 0 HD12 LEU A 7 10.867 -13.645 -3.838 1.00 74.32 H new ATOM 0 HD13 LEU A 7 10.231 -13.654 -5.500 1.00 74.32 H new ATOM 0 HD21 LEU A 7 7.376 -12.796 -4.726 1.00 51.21 H new ATOM 0 HD22 LEU A 7 7.735 -14.121 -5.857 1.00 51.21 H new ATOM 0 HD23 LEU A 7 6.712 -14.421 -4.432 1.00 51.21 H new ATOM 141 N SER A 8 7.612 -19.041 -3.387 1.00 64.05 N ATOM 142 CA SER A 8 7.997 -20.439 -3.236 1.00 61.54 C ATOM 143 C SER A 8 6.792 -21.357 -3.421 1.00 22.24 C ATOM 144 O SER A 8 5.645 -20.910 -3.389 1.00 61.32 O ATOM 145 CB SER A 8 8.624 -20.672 -1.861 1.00 21.25 C ATOM 146 OG SER A 8 7.787 -21.476 -1.048 1.00 33.12 O ATOM 0 H SER A 8 6.605 -18.880 -3.401 1.00 64.05 H new ATOM 0 HA SER A 8 8.732 -20.673 -4.006 1.00 61.54 H new ATOM 0 HB2 SER A 8 9.595 -21.154 -1.978 1.00 21.25 H new ATOM 0 HB3 SER A 8 8.800 -19.714 -1.371 1.00 21.25 H new ATOM 0 HG SER A 8 7.898 -22.418 -1.295 1.00 33.12 H new ATOM 247 N MET A 15 10.081 -22.502 4.658 1.00 52.22 N ATOM 248 CA MET A 15 10.837 -21.875 3.579 1.00 35.43 C ATOM 249 C MET A 15 9.928 -21.016 2.706 1.00 35.13 C ATOM 250 O MET A 15 9.019 -21.525 2.052 1.00 53.34 O ATOM 251 CB MET A 15 11.525 -22.941 2.725 1.00 62.14 C ATOM 252 CG MET A 15 13.002 -23.112 3.040 1.00 44.22 C ATOM 253 SD MET A 15 13.667 -24.672 2.428 1.00 23.34 S ATOM 254 CE MET A 15 15.336 -24.184 1.999 1.00 23.22 C ATOM 0 HA MET A 15 11.595 -21.232 4.026 1.00 35.43 H new ATOM 0 HB2 MET A 15 11.018 -23.895 2.871 1.00 62.14 H new ATOM 0 HB3 MET A 15 11.414 -22.679 1.673 1.00 62.14 H new ATOM 0 HG2 MET A 15 13.561 -22.286 2.601 1.00 44.22 H new ATOM 0 HG3 MET A 15 13.148 -23.058 4.119 1.00 44.22 H new ATOM 0 HE1 MET A 15 15.876 -25.044 1.604 1.00 23.22 H new ATOM 0 HE2 MET A 15 15.303 -23.399 1.244 1.00 23.22 H new ATOM 0 HE3 MET A 15 15.846 -23.812 2.888 1.00 23.22 H new ATOM 264 N ASN A 16 10.179 -19.711 2.702 1.00 23.15 N ATOM 265 CA ASN A 16 9.382 -18.781 1.910 1.00 24.33 C ATOM 266 C ASN A 16 10.106 -17.448 1.745 1.00 23.50 C ATOM 267 O ASN A 16 10.965 -17.093 2.553 1.00 51.32 O ATOM 268 CB ASN A 16 8.020 -18.556 2.568 1.00 34.04 C ATOM 269 CG ASN A 16 6.983 -19.563 2.110 1.00 74.02 C ATOM 270 OD1 ASN A 16 6.337 -20.221 2.926 1.00 54.24 O ATOM 271 ND2 ASN A 16 6.819 -19.688 0.798 1.00 42.11 N ATOM 0 H ASN A 16 10.928 -19.273 3.238 1.00 23.15 H new ATOM 0 HA ASN A 16 9.233 -19.218 0.923 1.00 24.33 H new ATOM 0 HB2 ASN A 16 8.128 -18.617 3.651 1.00 34.04 H new ATOM 0 HB3 ASN A 16 7.671 -17.549 2.339 1.00 34.04 H new ATOM 0 HD21 ASN A 16 6.136 -20.350 0.430 1.00 42.11 H new ATOM 0 HD22 ASN A 16 7.376 -19.122 0.158 1.00 42.11 H new ATOM 278 N ILE A 17 9.753 -16.716 0.694 1.00 23.20 N ATOM 279 CA ILE A 17 10.368 -15.422 0.424 1.00 31.30 C ATOM 280 C ILE A 17 9.312 -14.333 0.274 1.00 53.31 C ATOM 281 O ILE A 17 8.528 -14.340 -0.675 1.00 44.02 O ATOM 282 CB ILE A 17 11.231 -15.464 -0.851 1.00 20.12 C ATOM 283 CG1 ILE A 17 12.499 -16.286 -0.608 1.00 12.41 C ATOM 284 CG2 ILE A 17 11.585 -14.053 -1.297 1.00 72.54 C ATOM 285 CD1 ILE A 17 13.230 -16.658 -1.879 1.00 22.05 C ATOM 0 H ILE A 17 9.045 -16.997 0.016 1.00 23.20 H new ATOM 0 HA ILE A 17 11.006 -15.191 1.277 1.00 31.30 H new ATOM 0 HB ILE A 17 10.658 -15.942 -1.645 1.00 20.12 H new ATOM 0 HG12 ILE A 17 13.172 -15.720 0.036 1.00 12.41 H new ATOM 0 HG13 ILE A 17 12.235 -17.197 -0.071 1.00 12.41 H new ATOM 0 HG21 ILE A 17 12.195 -14.099 -2.199 1.00 72.54 H new ATOM 0 HG22 ILE A 17 10.671 -13.497 -1.505 1.00 72.54 H new ATOM 0 HG23 ILE A 17 12.143 -13.551 -0.507 1.00 72.54 H new ATOM 0 HD11 ILE A 17 14.118 -17.239 -1.631 1.00 22.05 H new ATOM 0 HD12 ILE A 17 12.574 -17.251 -2.516 1.00 22.05 H new ATOM 0 HD13 ILE A 17 13.526 -15.752 -2.407 1.00 22.05 H new ATOM 297 N ALA A 18 9.298 -13.396 1.216 1.00 11.24 N ATOM 298 CA ALA A 18 8.341 -12.297 1.187 1.00 12.10 C ATOM 299 C ALA A 18 8.869 -11.131 0.358 1.00 75.24 C ATOM 300 O ALA A 18 10.010 -10.703 0.527 1.00 42.55 O ATOM 301 CB ALA A 18 8.021 -11.838 2.602 1.00 75.01 C ATOM 0 H ALA A 18 9.939 -13.376 2.009 1.00 11.24 H new ATOM 0 HA ALA A 18 7.426 -12.658 0.718 1.00 12.10 H new ATOM 0 HB1 ALA A 18 7.305 -11.017 2.565 1.00 75.01 H new ATOM 0 HB2 ALA A 18 7.593 -12.667 3.166 1.00 75.01 H new ATOM 0 HB3 ALA A 18 8.935 -11.501 3.091 1.00 75.01 H new ATOM 307 N VAL A 19 8.031 -10.622 -0.540 1.00 75.41 N ATOM 308 CA VAL A 19 8.413 -9.506 -1.396 1.00 52.40 C ATOM 309 C VAL A 19 7.487 -8.312 -1.189 1.00 21.24 C ATOM 310 O VAL A 19 6.414 -8.441 -0.598 1.00 4.40 O ATOM 311 CB VAL A 19 8.391 -9.905 -2.883 1.00 64.53 C ATOM 312 CG1 VAL A 19 9.808 -10.086 -3.408 1.00 54.23 C ATOM 313 CG2 VAL A 19 7.575 -11.173 -3.082 1.00 72.50 C ATOM 0 H VAL A 19 7.083 -10.965 -0.693 1.00 75.41 H new ATOM 0 HA VAL A 19 9.429 -9.228 -1.117 1.00 52.40 H new ATOM 0 HB VAL A 19 7.918 -9.103 -3.450 1.00 64.53 H new ATOM 0 HG11 VAL A 19 9.773 -10.368 -4.460 1.00 54.23 H new ATOM 0 HG12 VAL A 19 10.358 -9.151 -3.301 1.00 54.23 H new ATOM 0 HG13 VAL A 19 10.309 -10.869 -2.839 1.00 54.23 H new ATOM 0 HG21 VAL A 19 7.570 -11.440 -4.139 1.00 72.50 H new ATOM 0 HG22 VAL A 19 8.017 -11.985 -2.504 1.00 72.50 H new ATOM 0 HG23 VAL A 19 6.552 -11.004 -2.746 1.00 72.50 H new ATOM 323 N TYR A 20 7.909 -7.152 -1.678 1.00 55.34 N ATOM 324 CA TYR A 20 7.118 -5.934 -1.545 1.00 41.32 C ATOM 325 C TYR A 20 7.307 -5.027 -2.757 1.00 52.43 C ATOM 326 O TYR A 20 8.432 -4.766 -3.181 1.00 42.21 O ATOM 327 CB TYR A 20 7.507 -5.186 -0.269 1.00 13.41 C ATOM 328 CG TYR A 20 7.629 -6.080 0.944 1.00 35.00 C ATOM 329 CD1 TYR A 20 6.507 -6.442 1.680 1.00 23.32 C ATOM 330 CD2 TYR A 20 8.865 -6.564 1.353 1.00 2.22 C ATOM 331 CE1 TYR A 20 6.614 -7.259 2.789 1.00 3.44 C ATOM 332 CE2 TYR A 20 8.981 -7.382 2.460 1.00 4.13 C ATOM 333 CZ TYR A 20 7.853 -7.726 3.175 1.00 23.13 C ATOM 334 OH TYR A 20 7.964 -8.541 4.279 1.00 52.31 O ATOM 0 H TYR A 20 8.794 -7.029 -2.170 1.00 55.34 H new ATOM 0 HA TYR A 20 6.067 -6.218 -1.486 1.00 41.32 H new ATOM 0 HB2 TYR A 20 8.457 -4.677 -0.432 1.00 13.41 H new ATOM 0 HB3 TYR A 20 6.763 -4.415 -0.068 1.00 13.41 H new ATOM 0 HD1 TYR A 20 5.535 -6.079 1.380 1.00 23.32 H new ATOM 0 HD2 TYR A 20 9.751 -6.296 0.796 1.00 2.22 H new ATOM 0 HE1 TYR A 20 5.732 -7.530 3.351 1.00 3.44 H new ATOM 0 HE2 TYR A 20 9.950 -7.750 2.764 1.00 4.13 H new ATOM 0 HH TYR A 20 7.142 -9.065 4.383 1.00 52.31 H new ATOM 344 N GLU A 21 6.196 -4.549 -3.309 1.00 52.14 N ATOM 345 CA GLU A 21 6.238 -3.671 -4.473 1.00 3.11 C ATOM 346 C GLU A 21 5.995 -2.220 -4.069 1.00 10.35 C ATOM 347 O GLU A 21 5.304 -1.945 -3.088 1.00 61.05 O ATOM 348 CB GLU A 21 5.197 -4.106 -5.506 1.00 14.51 C ATOM 349 CG GLU A 21 5.309 -3.370 -6.831 1.00 0.35 C ATOM 350 CD GLU A 21 4.860 -4.214 -8.007 1.00 34.20 C ATOM 351 OE1 GLU A 21 3.646 -4.224 -8.300 1.00 55.32 O ATOM 352 OE2 GLU A 21 5.721 -4.866 -8.634 1.00 12.50 O ATOM 0 H GLU A 21 5.257 -4.755 -2.969 1.00 52.14 H new ATOM 0 HA GLU A 21 7.231 -3.745 -4.916 1.00 3.11 H new ATOM 0 HB2 GLU A 21 5.300 -5.176 -5.685 1.00 14.51 H new ATOM 0 HB3 GLU A 21 4.200 -3.946 -5.094 1.00 14.51 H new ATOM 0 HG2 GLU A 21 4.708 -2.462 -6.790 1.00 0.35 H new ATOM 0 HG3 GLU A 21 6.343 -3.061 -6.984 1.00 0.35 H new ATOM 359 N ASN A 22 6.569 -1.295 -4.831 1.00 50.13 N ATOM 360 CA ASN A 22 6.416 0.128 -4.552 1.00 51.45 C ATOM 361 C ASN A 22 5.471 0.781 -5.557 1.00 41.01 C ATOM 362 O ASN A 22 5.385 0.358 -6.709 1.00 51.42 O ATOM 363 CB ASN A 22 7.777 0.826 -4.588 1.00 64.35 C ATOM 364 CG ASN A 22 7.662 2.328 -4.420 1.00 0.41 C ATOM 365 OD1 ASN A 22 6.857 2.815 -3.625 1.00 43.14 O ATOM 366 ND2 ASN A 22 8.468 3.071 -5.169 1.00 42.34 N ATOM 0 H ASN A 22 7.144 -1.505 -5.647 1.00 50.13 H new ATOM 0 HA ASN A 22 5.988 0.233 -3.555 1.00 51.45 H new ATOM 0 HB2 ASN A 22 8.410 0.422 -3.798 1.00 64.35 H new ATOM 0 HB3 ASN A 22 8.270 0.606 -5.535 1.00 64.35 H new ATOM 0 HD21 ASN A 22 8.436 4.088 -5.099 1.00 42.34 H new ATOM 0 HD22 ASN A 22 9.120 2.625 -5.814 1.00 42.34 H new ATOM 373 N GLY A 23 4.764 1.815 -5.111 1.00 50.01 N ATOM 374 CA GLY A 23 3.835 2.510 -5.983 1.00 62.12 C ATOM 375 C GLY A 23 4.528 3.172 -7.158 1.00 13.44 C ATOM 376 O GLY A 23 4.223 2.877 -8.313 1.00 44.53 O ATOM 0 H GLY A 23 4.818 2.184 -4.162 1.00 50.01 H new ATOM 0 HA2 GLY A 23 3.092 1.804 -6.354 1.00 62.12 H new ATOM 0 HA3 GLY A 23 3.298 3.265 -5.409 1.00 62.12 H new ATOM 380 N SER A 24 5.461 4.072 -6.862 1.00 32.31 N ATOM 381 CA SER A 24 6.195 4.782 -7.903 1.00 14.24 C ATOM 382 C SER A 24 6.792 3.805 -8.910 1.00 70.41 C ATOM 383 O SER A 24 6.299 3.670 -10.030 1.00 73.31 O ATOM 384 CB SER A 24 7.304 5.635 -7.283 1.00 34.42 C ATOM 385 OG SER A 24 6.767 6.617 -6.414 1.00 35.10 O ATOM 0 H SER A 24 5.726 4.326 -5.910 1.00 32.31 H new ATOM 0 HA SER A 24 5.495 5.433 -8.427 1.00 14.24 H new ATOM 0 HB2 SER A 24 7.994 4.996 -6.732 1.00 34.42 H new ATOM 0 HB3 SER A 24 7.879 6.119 -8.072 1.00 34.42 H new ATOM 0 HG SER A 24 7.496 7.147 -6.030 1.00 35.10 H new ATOM 391 N LYS A 25 7.858 3.124 -8.504 1.00 22.14 N ATOM 392 CA LYS A 25 8.524 2.157 -9.368 1.00 25.00 C ATOM 393 C LYS A 25 8.403 0.746 -8.801 1.00 52.12 C ATOM 394 O LYS A 25 7.758 0.534 -7.774 1.00 24.53 O ATOM 395 CB LYS A 25 10.000 2.525 -9.537 1.00 24.23 C ATOM 396 CG LYS A 25 10.225 3.768 -10.381 1.00 31.45 C ATOM 397 CD LYS A 25 9.874 3.522 -11.839 1.00 3.54 C ATOM 398 CE LYS A 25 10.490 4.578 -12.745 1.00 32.32 C ATOM 399 NZ LYS A 25 9.735 4.722 -14.020 1.00 60.14 N ATOM 0 H LYS A 25 8.280 3.224 -7.581 1.00 22.14 H new ATOM 0 HA LYS A 25 8.036 2.181 -10.342 1.00 25.00 H new ATOM 0 HB2 LYS A 25 10.442 2.680 -8.553 1.00 24.23 H new ATOM 0 HB3 LYS A 25 10.525 1.686 -9.994 1.00 24.23 H new ATOM 0 HG2 LYS A 25 9.619 4.587 -9.993 1.00 31.45 H new ATOM 0 HG3 LYS A 25 11.267 4.078 -10.304 1.00 31.45 H new ATOM 0 HD2 LYS A 25 10.226 2.534 -12.138 1.00 3.54 H new ATOM 0 HD3 LYS A 25 8.791 3.524 -11.959 1.00 3.54 H new ATOM 0 HE2 LYS A 25 10.511 5.536 -12.225 1.00 32.32 H new ATOM 0 HE3 LYS A 25 11.524 4.311 -12.963 1.00 32.32 H new ATOM 0 HZ1 LYS A 25 10.186 5.450 -14.610 1.00 60.14 H new ATOM 0 HZ2 LYS A 25 9.736 3.815 -14.529 1.00 60.14 H new ATOM 0 HZ3 LYS A 25 8.755 5.001 -13.813 1.00 60.14 H new ATOM 413 N ILE A 26 9.027 -0.214 -9.476 1.00 54.52 N ATOM 414 CA ILE A 26 8.990 -1.603 -9.038 1.00 33.15 C ATOM 415 C ILE A 26 10.082 -1.885 -8.011 1.00 15.41 C ATOM 416 O ILE A 26 11.230 -1.474 -8.180 1.00 53.52 O ATOM 417 CB ILE A 26 9.153 -2.572 -10.223 1.00 63.32 C ATOM 418 CG1 ILE A 26 8.025 -2.368 -11.237 1.00 2.15 C ATOM 419 CG2 ILE A 26 9.176 -4.012 -9.731 1.00 44.23 C ATOM 420 CD1 ILE A 26 6.676 -2.839 -10.741 1.00 54.44 C ATOM 0 H ILE A 26 9.564 -0.055 -10.328 1.00 54.52 H new ATOM 0 HA ILE A 26 8.014 -1.763 -8.580 1.00 33.15 H new ATOM 0 HB ILE A 26 10.102 -2.362 -10.716 1.00 63.32 H new ATOM 0 HG12 ILE A 26 7.961 -1.310 -11.490 1.00 2.15 H new ATOM 0 HG13 ILE A 26 8.272 -2.901 -12.155 1.00 2.15 H new ATOM 0 HG21 ILE A 26 9.292 -4.685 -10.581 1.00 44.23 H new ATOM 0 HG22 ILE A 26 10.011 -4.148 -9.044 1.00 44.23 H new ATOM 0 HG23 ILE A 26 8.242 -4.235 -9.216 1.00 44.23 H new ATOM 0 HD11 ILE A 26 5.924 -2.664 -11.510 1.00 54.44 H new ATOM 0 HD12 ILE A 26 6.723 -3.904 -10.515 1.00 54.44 H new ATOM 0 HD13 ILE A 26 6.407 -2.289 -9.839 1.00 54.44 H new ATOM 432 N LYS A 27 9.717 -2.590 -6.946 1.00 33.13 N ATOM 433 CA LYS A 27 10.665 -2.931 -5.892 1.00 13.24 C ATOM 434 C LYS A 27 10.609 -4.421 -5.571 1.00 2.03 C ATOM 435 O LYS A 27 9.532 -5.012 -5.508 1.00 33.10 O ATOM 436 CB LYS A 27 10.371 -2.115 -4.630 1.00 62.43 C ATOM 437 CG LYS A 27 11.176 -2.556 -3.420 1.00 45.12 C ATOM 438 CD LYS A 27 11.569 -1.373 -2.551 1.00 63.00 C ATOM 439 CE LYS A 27 10.494 -1.054 -1.524 1.00 75.41 C ATOM 440 NZ LYS A 27 10.934 -0.001 -0.568 1.00 20.10 N ATOM 0 H LYS A 27 8.771 -2.937 -6.790 1.00 33.13 H new ATOM 0 HA LYS A 27 11.667 -2.691 -6.247 1.00 13.24 H new ATOM 0 HB2 LYS A 27 10.578 -1.064 -4.831 1.00 62.43 H new ATOM 0 HB3 LYS A 27 9.309 -2.192 -4.397 1.00 62.43 H new ATOM 0 HG2 LYS A 27 10.592 -3.263 -2.831 1.00 45.12 H new ATOM 0 HG3 LYS A 27 12.073 -3.080 -3.750 1.00 45.12 H new ATOM 0 HD2 LYS A 27 12.507 -1.591 -2.041 1.00 63.00 H new ATOM 0 HD3 LYS A 27 11.743 -0.500 -3.180 1.00 63.00 H new ATOM 0 HE2 LYS A 27 9.590 -0.725 -2.036 1.00 75.41 H new ATOM 0 HE3 LYS A 27 10.237 -1.959 -0.974 1.00 75.41 H new ATOM 0 HZ1 LYS A 27 10.173 0.187 0.115 1.00 20.10 H new ATOM 0 HZ2 LYS A 27 11.782 -0.325 -0.061 1.00 20.10 H new ATOM 0 HZ3 LYS A 27 11.154 0.871 -1.090 1.00 20.10 H new ATOM 454 N ALA A 28 11.777 -5.022 -5.367 1.00 10.30 N ATOM 455 CA ALA A 28 11.860 -6.442 -5.049 1.00 4.21 C ATOM 456 C ALA A 28 12.778 -6.684 -3.855 1.00 71.13 C ATOM 457 O ALA A 28 14.001 -6.601 -3.973 1.00 75.34 O ATOM 458 CB ALA A 28 12.347 -7.226 -6.259 1.00 13.13 C ATOM 0 H ALA A 28 12.678 -4.547 -5.416 1.00 10.30 H new ATOM 0 HA ALA A 28 10.862 -6.789 -4.783 1.00 4.21 H new ATOM 0 HB1 ALA A 28 12.404 -8.285 -6.007 1.00 13.13 H new ATOM 0 HB2 ALA A 28 11.652 -7.087 -7.087 1.00 13.13 H new ATOM 0 HB3 ALA A 28 13.334 -6.868 -6.551 1.00 13.13 H new ATOM 464 N ARG A 29 12.180 -6.983 -2.706 1.00 42.25 N ATOM 465 CA ARG A 29 12.944 -7.235 -1.491 1.00 23.13 C ATOM 466 C ARG A 29 12.727 -8.663 -0.998 1.00 40.15 C ATOM 467 O ARG A 29 11.672 -8.990 -0.454 1.00 42.53 O ATOM 468 CB ARG A 29 12.547 -6.241 -0.398 1.00 32.43 C ATOM 469 CG ARG A 29 13.342 -6.399 0.888 1.00 65.33 C ATOM 470 CD ARG A 29 12.534 -5.964 2.100 1.00 24.22 C ATOM 471 NE ARG A 29 13.390 -5.614 3.231 1.00 34.41 N ATOM 472 CZ ARG A 29 12.956 -4.971 4.309 1.00 13.02 C ATOM 473 NH1 ARG A 29 11.683 -4.610 4.402 1.00 5.54 N ATOM 474 NH2 ARG A 29 13.795 -4.688 5.297 1.00 20.33 N ATOM 0 H ARG A 29 11.169 -7.056 -2.592 1.00 42.25 H new ATOM 0 HA ARG A 29 14.001 -7.106 -1.724 1.00 23.13 H new ATOM 0 HB2 ARG A 29 12.680 -5.227 -0.775 1.00 32.43 H new ATOM 0 HB3 ARG A 29 11.487 -6.362 -0.177 1.00 32.43 H new ATOM 0 HG2 ARG A 29 13.643 -7.440 1.005 1.00 65.33 H new ATOM 0 HG3 ARG A 29 14.256 -5.808 0.827 1.00 65.33 H new ATOM 0 HD2 ARG A 29 11.915 -5.107 1.835 1.00 24.22 H new ATOM 0 HD3 ARG A 29 11.858 -6.767 2.392 1.00 24.22 H new ATOM 0 HE ARG A 29 14.374 -5.878 3.191 1.00 34.41 H new ATOM 0 HH11 ARG A 29 11.035 -4.826 3.645 1.00 5.54 H new ATOM 0 HH12 ARG A 29 11.352 -4.116 5.231 1.00 5.54 H new ATOM 0 HH21 ARG A 29 14.775 -4.964 5.229 1.00 20.33 H new ATOM 0 HH22 ARG A 29 13.461 -4.194 6.124 1.00 20.33 H new ATOM 488 N VAL A 30 13.732 -9.510 -1.194 1.00 64.31 N ATOM 489 CA VAL A 30 13.652 -10.903 -0.770 1.00 10.11 C ATOM 490 C VAL A 30 13.864 -11.032 0.734 1.00 35.33 C ATOM 491 O VAL A 30 14.962 -10.801 1.238 1.00 21.42 O ATOM 492 CB VAL A 30 14.692 -11.773 -1.500 1.00 61.12 C ATOM 493 CG1 VAL A 30 14.779 -13.151 -0.862 1.00 11.25 C ATOM 494 CG2 VAL A 30 14.351 -11.882 -2.979 1.00 31.33 C ATOM 0 H VAL A 30 14.612 -9.256 -1.644 1.00 64.31 H new ATOM 0 HA VAL A 30 12.652 -11.254 -1.025 1.00 10.11 H new ATOM 0 HB VAL A 30 15.667 -11.295 -1.409 1.00 61.12 H new ATOM 0 HG11 VAL A 30 15.519 -13.751 -1.392 1.00 11.25 H new ATOM 0 HG12 VAL A 30 15.074 -13.050 0.183 1.00 11.25 H new ATOM 0 HG13 VAL A 30 13.807 -13.640 -0.919 1.00 11.25 H new ATOM 0 HG21 VAL A 30 15.096 -12.500 -3.480 1.00 31.33 H new ATOM 0 HG22 VAL A 30 13.367 -12.336 -3.093 1.00 31.33 H new ATOM 0 HG23 VAL A 30 14.345 -10.888 -3.425 1.00 31.33 H new ATOM 504 N GLU A 31 12.804 -11.404 1.446 1.00 53.42 N ATOM 505 CA GLU A 31 12.874 -11.563 2.893 1.00 22.45 C ATOM 506 C GLU A 31 12.707 -13.028 3.288 1.00 14.00 C ATOM 507 O GLU A 31 11.656 -13.627 3.060 1.00 3.44 O ATOM 508 CB GLU A 31 11.800 -10.714 3.576 1.00 53.15 C ATOM 509 CG GLU A 31 11.705 -10.941 5.075 1.00 44.20 C ATOM 510 CD GLU A 31 10.524 -10.225 5.700 1.00 0.32 C ATOM 511 OE1 GLU A 31 10.672 -9.039 6.061 1.00 13.51 O ATOM 512 OE2 GLU A 31 9.451 -10.851 5.828 1.00 23.41 O ATOM 0 H GLU A 31 11.888 -11.601 1.044 1.00 53.42 H new ATOM 0 HA GLU A 31 13.857 -11.225 3.222 1.00 22.45 H new ATOM 0 HB2 GLU A 31 12.009 -9.661 3.389 1.00 53.15 H new ATOM 0 HB3 GLU A 31 10.833 -10.933 3.122 1.00 53.15 H new ATOM 0 HG2 GLU A 31 11.623 -12.010 5.272 1.00 44.20 H new ATOM 0 HG3 GLU A 31 12.625 -10.599 5.549 1.00 44.20 H new ATOM 519 N ASN A 32 13.751 -13.598 3.880 1.00 33.34 N ATOM 520 CA ASN A 32 13.720 -14.993 4.306 1.00 44.01 C ATOM 521 C ASN A 32 12.882 -15.158 5.570 1.00 74.14 C ATOM 522 O ASN A 32 12.656 -14.199 6.308 1.00 53.15 O ATOM 523 CB ASN A 32 15.141 -15.503 4.553 1.00 24.42 C ATOM 524 CG ASN A 32 15.233 -17.015 4.483 1.00 60.52 C ATOM 525 OD1 ASN A 32 15.550 -17.676 5.472 1.00 1.02 O ATOM 526 ND2 ASN A 32 14.955 -17.571 3.309 1.00 1.10 N ATOM 0 H ASN A 32 14.629 -13.116 4.076 1.00 33.34 H new ATOM 0 HA ASN A 32 13.263 -15.580 3.510 1.00 44.01 H new ATOM 0 HB2 ASN A 32 15.814 -15.066 3.815 1.00 24.42 H new ATOM 0 HB3 ASN A 32 15.480 -15.166 5.533 1.00 24.42 H new ATOM 0 HD21 ASN A 32 15.000 -18.584 3.201 1.00 1.10 H new ATOM 0 HD22 ASN A 32 14.697 -16.985 2.515 1.00 1.10 H new ATOM 533 N VAL A 33 12.423 -16.382 5.813 1.00 13.40 N ATOM 534 CA VAL A 33 11.610 -16.674 6.988 1.00 4.30 C ATOM 535 C VAL A 33 12.044 -17.979 7.645 1.00 22.04 C ATOM 536 O VAL A 33 11.453 -18.416 8.633 1.00 74.35 O ATOM 537 CB VAL A 33 10.116 -16.765 6.628 1.00 15.14 C ATOM 538 CG1 VAL A 33 9.846 -17.994 5.775 1.00 74.45 C ATOM 539 CG2 VAL A 33 9.265 -16.784 7.889 1.00 32.13 C ATOM 0 H VAL A 33 12.600 -17.187 5.212 1.00 13.40 H new ATOM 0 HA VAL A 33 11.758 -15.851 7.688 1.00 4.30 H new ATOM 0 HB VAL A 33 9.846 -15.883 6.047 1.00 15.14 H new ATOM 0 HG11 VAL A 33 8.785 -18.041 5.531 1.00 74.45 H new ATOM 0 HG12 VAL A 33 10.428 -17.934 4.855 1.00 74.45 H new ATOM 0 HG13 VAL A 33 10.131 -18.890 6.327 1.00 74.45 H new ATOM 0 HG21 VAL A 33 8.212 -16.849 7.616 1.00 32.13 H new ATOM 0 HG22 VAL A 33 9.536 -17.647 8.498 1.00 32.13 H new ATOM 0 HG23 VAL A 33 9.437 -15.870 8.458 1.00 32.13 H new ATOM 549 N VAL A 34 13.082 -18.598 7.092 1.00 43.24 N ATOM 550 CA VAL A 34 13.597 -19.853 7.625 1.00 65.22 C ATOM 551 C VAL A 34 14.589 -19.604 8.755 1.00 24.14 C ATOM 552 O VAL A 34 14.875 -20.497 9.552 1.00 32.00 O ATOM 553 CB VAL A 34 14.285 -20.689 6.528 1.00 13.44 C ATOM 554 CG1 VAL A 34 14.105 -22.175 6.798 1.00 2.20 C ATOM 555 CG2 VAL A 34 13.741 -20.318 5.157 1.00 11.30 C ATOM 0 H VAL A 34 13.583 -18.250 6.274 1.00 43.24 H new ATOM 0 HA VAL A 34 12.742 -20.407 8.011 1.00 65.22 H new ATOM 0 HB VAL A 34 15.352 -20.468 6.542 1.00 13.44 H new ATOM 0 HG11 VAL A 34 14.597 -22.750 6.013 1.00 2.20 H new ATOM 0 HG12 VAL A 34 14.546 -22.426 7.763 1.00 2.20 H new ATOM 0 HG13 VAL A 34 13.042 -22.416 6.812 1.00 2.20 H new ATOM 0 HG21 VAL A 34 14.238 -20.918 4.394 1.00 11.30 H new ATOM 0 HG22 VAL A 34 12.668 -20.509 5.127 1.00 11.30 H new ATOM 0 HG23 VAL A 34 13.927 -19.261 4.966 1.00 11.30 H new ATOM 565 N ASN A 35 15.111 -18.384 8.819 1.00 4.51 N ATOM 566 CA ASN A 35 16.072 -18.016 9.853 1.00 63.22 C ATOM 567 C ASN A 35 15.518 -16.907 10.742 1.00 72.04 C ATOM 568 O ASN A 35 16.022 -16.664 11.837 1.00 23.31 O ATOM 569 CB ASN A 35 17.389 -17.566 9.217 1.00 2.44 C ATOM 570 CG ASN A 35 18.599 -18.164 9.909 1.00 42.24 C ATOM 571 OD1 ASN A 35 18.529 -18.566 11.070 1.00 73.10 O ATOM 572 ND2 ASN A 35 19.718 -18.225 9.196 1.00 52.55 N ATOM 0 H ASN A 35 14.885 -17.633 8.167 1.00 4.51 H new ATOM 0 HA ASN A 35 16.256 -18.894 10.472 1.00 63.22 H new ATOM 0 HB2 ASN A 35 17.398 -17.851 8.165 1.00 2.44 H new ATOM 0 HB3 ASN A 35 17.454 -16.479 9.253 1.00 2.44 H new ATOM 0 HD21 ASN A 35 20.565 -18.617 9.608 1.00 52.55 H new ATOM 0 HD22 ASN A 35 19.731 -17.880 8.236 1.00 52.55 H new ATOM 579 N GLY A 36 14.475 -16.237 10.261 1.00 11.40 N ATOM 580 CA GLY A 36 13.868 -15.162 11.024 1.00 4.44 C ATOM 581 C GLY A 36 14.524 -13.821 10.759 1.00 53.21 C ATOM 582 O GLY A 36 14.458 -12.914 11.589 1.00 50.43 O ATOM 0 H GLY A 36 14.040 -16.420 9.357 1.00 11.40 H new ATOM 0 HA2 GLY A 36 12.808 -15.099 10.778 1.00 4.44 H new ATOM 0 HA3 GLY A 36 13.935 -15.392 12.087 1.00 4.44 H new ATOM 586 N LYS A 37 15.160 -13.694 9.599 1.00 32.22 N ATOM 587 CA LYS A 37 15.831 -12.455 9.225 1.00 11.14 C ATOM 588 C LYS A 37 15.678 -12.182 7.732 1.00 31.24 C ATOM 589 O LYS A 37 15.419 -13.095 6.948 1.00 33.15 O ATOM 590 CB LYS A 37 17.315 -12.524 9.593 1.00 50.34 C ATOM 591 CG LYS A 37 18.137 -13.381 8.646 1.00 73.22 C ATOM 592 CD LYS A 37 19.243 -12.577 7.984 1.00 61.55 C ATOM 593 CE LYS A 37 20.202 -11.997 9.012 1.00 51.45 C ATOM 594 NZ LYS A 37 20.695 -13.034 9.959 1.00 33.30 N ATOM 0 H LYS A 37 15.225 -14.435 8.901 1.00 32.22 H new ATOM 0 HA LYS A 37 15.364 -11.638 9.775 1.00 11.14 H new ATOM 0 HB2 LYS A 37 17.725 -11.514 9.605 1.00 50.34 H new ATOM 0 HB3 LYS A 37 17.412 -12.919 10.604 1.00 50.34 H new ATOM 0 HG2 LYS A 37 18.572 -14.217 9.195 1.00 73.22 H new ATOM 0 HG3 LYS A 37 17.487 -13.806 7.881 1.00 73.22 H new ATOM 0 HD2 LYS A 37 19.793 -13.214 7.291 1.00 61.55 H new ATOM 0 HD3 LYS A 37 18.806 -11.770 7.397 1.00 61.55 H new ATOM 0 HE2 LYS A 37 21.049 -11.540 8.501 1.00 51.45 H new ATOM 0 HE3 LYS A 37 19.701 -11.205 9.569 1.00 51.45 H new ATOM 0 HZ1 LYS A 37 21.480 -12.646 10.521 1.00 33.30 H new ATOM 0 HZ2 LYS A 37 19.923 -13.319 10.594 1.00 33.30 H new ATOM 0 HZ3 LYS A 37 21.028 -13.862 9.425 1.00 33.30 H new ATOM 608 N SER A 38 15.841 -10.921 7.346 1.00 43.00 N ATOM 609 CA SER A 38 15.719 -10.528 5.947 1.00 30.20 C ATOM 610 C SER A 38 17.093 -10.404 5.296 1.00 51.44 C ATOM 611 O SER A 38 17.971 -9.704 5.801 1.00 41.15 O ATOM 612 CB SER A 38 14.965 -9.202 5.832 1.00 42.22 C ATOM 613 OG SER A 38 15.803 -8.182 5.316 1.00 61.23 O ATOM 0 H SER A 38 16.058 -10.154 7.982 1.00 43.00 H new ATOM 0 HA SER A 38 15.158 -11.303 5.425 1.00 30.20 H new ATOM 0 HB2 SER A 38 14.098 -9.328 5.183 1.00 42.22 H new ATOM 0 HB3 SER A 38 14.589 -8.907 6.812 1.00 42.22 H new ATOM 0 HG SER A 38 15.297 -7.345 5.251 1.00 61.23 H new ATOM 619 N VAL A 39 17.272 -11.088 4.170 1.00 14.11 N ATOM 620 CA VAL A 39 18.537 -11.054 3.448 1.00 65.15 C ATOM 621 C VAL A 39 18.311 -10.871 1.951 1.00 3.51 C ATOM 622 O VAL A 39 18.674 -11.729 1.148 1.00 41.22 O ATOM 623 CB VAL A 39 19.350 -12.342 3.679 1.00 42.04 C ATOM 624 CG1 VAL A 39 20.181 -12.229 4.948 1.00 53.12 C ATOM 625 CG2 VAL A 39 18.427 -13.550 3.741 1.00 4.32 C ATOM 0 H VAL A 39 16.556 -11.672 3.739 1.00 14.11 H new ATOM 0 HA VAL A 39 19.099 -10.204 3.835 1.00 65.15 H new ATOM 0 HB VAL A 39 20.031 -12.477 2.839 1.00 42.04 H new ATOM 0 HG11 VAL A 39 20.748 -13.148 5.094 1.00 53.12 H new ATOM 0 HG12 VAL A 39 20.869 -11.388 4.859 1.00 53.12 H new ATOM 0 HG13 VAL A 39 19.522 -12.069 5.801 1.00 53.12 H new ATOM 0 HG21 VAL A 39 19.018 -14.451 3.905 1.00 4.32 H new ATOM 0 HG22 VAL A 39 17.720 -13.426 4.561 1.00 4.32 H new ATOM 0 HG23 VAL A 39 17.881 -13.639 2.802 1.00 4.32 H new ATOM 635 N GLY A 40 17.709 -9.744 1.583 1.00 51.22 N ATOM 636 CA GLY A 40 17.445 -9.467 0.183 1.00 72.11 C ATOM 637 C GLY A 40 17.043 -8.025 -0.057 1.00 73.54 C ATOM 638 O GLY A 40 16.147 -7.505 0.606 1.00 34.25 O ATOM 0 H GLY A 40 17.400 -9.018 2.229 1.00 51.22 H new ATOM 0 HA2 GLY A 40 18.335 -9.695 -0.403 1.00 72.11 H new ATOM 0 HA3 GLY A 40 16.652 -10.126 -0.171 1.00 72.11 H new ATOM 642 N ALA A 41 17.708 -7.378 -1.008 1.00 51.13 N ATOM 643 CA ALA A 41 17.415 -5.988 -1.334 1.00 54.15 C ATOM 644 C ALA A 41 17.730 -5.689 -2.796 1.00 41.41 C ATOM 645 O ALA A 41 18.885 -5.752 -3.217 1.00 63.31 O ATOM 646 CB ALA A 41 18.197 -5.055 -0.422 1.00 20.11 C ATOM 0 H ALA A 41 18.453 -7.794 -1.566 1.00 51.13 H new ATOM 0 HA ALA A 41 16.349 -5.821 -1.177 1.00 54.15 H new ATOM 0 HB1 ALA A 41 17.968 -4.020 -0.677 1.00 20.11 H new ATOM 0 HB2 ALA A 41 17.919 -5.243 0.615 1.00 20.11 H new ATOM 0 HB3 ALA A 41 19.265 -5.232 -0.549 1.00 20.11 H new ATOM 652 N ARG A 42 16.696 -5.363 -3.565 1.00 44.21 N ATOM 653 CA ARG A 42 16.864 -5.056 -4.980 1.00 52.34 C ATOM 654 C ARG A 42 15.761 -4.120 -5.468 1.00 24.11 C ATOM 655 O ARG A 42 14.779 -3.883 -4.765 1.00 74.42 O ATOM 656 CB ARG A 42 16.858 -6.343 -5.808 1.00 1.44 C ATOM 657 CG ARG A 42 18.248 -6.839 -6.172 1.00 11.32 C ATOM 658 CD ARG A 42 18.761 -6.176 -7.441 1.00 72.50 C ATOM 659 NE ARG A 42 19.138 -4.783 -7.217 1.00 63.55 N ATOM 660 CZ ARG A 42 20.199 -4.414 -6.509 1.00 23.34 C ATOM 661 NH1 ARG A 42 20.984 -5.330 -5.958 1.00 21.12 N ATOM 662 NH2 ARG A 42 20.477 -3.127 -6.350 1.00 4.40 N ATOM 0 H ARG A 42 15.734 -5.305 -3.232 1.00 44.21 H new ATOM 0 HA ARG A 42 17.824 -4.556 -5.106 1.00 52.34 H new ATOM 0 HB2 ARG A 42 16.338 -7.122 -5.250 1.00 1.44 H new ATOM 0 HB3 ARG A 42 16.291 -6.174 -6.723 1.00 1.44 H new ATOM 0 HG2 ARG A 42 18.935 -6.635 -5.351 1.00 11.32 H new ATOM 0 HG3 ARG A 42 18.226 -7.920 -6.308 1.00 11.32 H new ATOM 0 HD2 ARG A 42 19.622 -6.729 -7.816 1.00 72.50 H new ATOM 0 HD3 ARG A 42 17.991 -6.224 -8.211 1.00 72.50 H new ATOM 0 HE ARG A 42 18.554 -4.054 -7.627 1.00 63.55 H new ATOM 0 HH11 ARG A 42 20.773 -6.321 -6.078 1.00 21.12 H new ATOM 0 HH12 ARG A 42 21.798 -5.044 -5.415 1.00 21.12 H new ATOM 0 HH21 ARG A 42 19.875 -2.419 -6.772 1.00 4.40 H new ATOM 0 HH22 ARG A 42 21.292 -2.845 -5.806 1.00 4.40 H new ATOM 676 N ASP A 43 15.932 -3.591 -6.674 1.00 62.24 N ATOM 677 CA ASP A 43 14.952 -2.682 -7.256 1.00 51.24 C ATOM 678 C ASP A 43 14.796 -2.936 -8.753 1.00 4.34 C ATOM 679 O ASP A 43 15.782 -3.003 -9.487 1.00 41.43 O ATOM 680 CB ASP A 43 15.364 -1.229 -7.013 1.00 65.31 C ATOM 681 CG ASP A 43 15.260 -0.835 -5.553 1.00 41.41 C ATOM 682 OD1 ASP A 43 16.218 -1.099 -4.797 1.00 5.33 O ATOM 683 OD2 ASP A 43 14.221 -0.261 -5.167 1.00 14.11 O ATOM 0 H ASP A 43 16.740 -3.776 -7.268 1.00 62.24 H new ATOM 0 HA ASP A 43 13.992 -2.865 -6.773 1.00 51.24 H new ATOM 0 HB2 ASP A 43 16.389 -1.083 -7.354 1.00 65.31 H new ATOM 0 HB3 ASP A 43 14.733 -0.571 -7.610 1.00 65.31 H new ATOM 688 N PHE A 44 13.552 -3.077 -9.197 1.00 61.43 N ATOM 689 CA PHE A 44 13.267 -3.326 -10.606 1.00 23.13 C ATOM 690 C PHE A 44 12.572 -2.125 -11.240 1.00 73.33 C ATOM 691 O PHE A 44 12.318 -1.119 -10.577 1.00 62.43 O ATOM 692 CB PHE A 44 12.396 -4.574 -10.759 1.00 32.31 C ATOM 693 CG PHE A 44 13.186 -5.846 -10.882 1.00 50.33 C ATOM 694 CD1 PHE A 44 14.263 -6.091 -10.046 1.00 61.41 C ATOM 695 CD2 PHE A 44 12.851 -6.795 -11.834 1.00 64.31 C ATOM 696 CE1 PHE A 44 14.992 -7.260 -10.158 1.00 63.12 C ATOM 697 CE2 PHE A 44 13.577 -7.966 -11.951 1.00 34.24 C ATOM 698 CZ PHE A 44 14.648 -8.199 -11.111 1.00 31.23 C ATOM 0 H PHE A 44 12.725 -3.023 -8.602 1.00 61.43 H new ATOM 0 HA PHE A 44 14.214 -3.488 -11.120 1.00 23.13 H new ATOM 0 HB2 PHE A 44 11.731 -4.651 -9.899 1.00 32.31 H new ATOM 0 HB3 PHE A 44 11.765 -4.461 -11.641 1.00 32.31 H new ATOM 0 HD1 PHE A 44 14.536 -5.361 -9.299 1.00 61.41 H new ATOM 0 HD2 PHE A 44 12.013 -6.618 -12.492 1.00 64.31 H new ATOM 0 HE1 PHE A 44 15.830 -7.439 -9.501 1.00 63.12 H new ATOM 0 HE2 PHE A 44 13.307 -8.697 -12.698 1.00 34.24 H new ATOM 0 HZ PHE A 44 15.216 -9.114 -11.199 1.00 31.23 H new ATOM 708 N ASP A 45 12.267 -2.239 -12.528 1.00 54.32 N ATOM 709 CA ASP A 45 11.600 -1.163 -13.254 1.00 30.55 C ATOM 710 C ASP A 45 10.181 -1.568 -13.641 1.00 41.23 C ATOM 711 O ASP A 45 9.227 -0.828 -13.403 1.00 11.44 O ATOM 712 CB ASP A 45 12.398 -0.792 -14.505 1.00 33.44 C ATOM 713 CG ASP A 45 13.724 -0.137 -14.172 1.00 54.34 C ATOM 714 OD1 ASP A 45 13.739 0.771 -13.315 1.00 14.23 O ATOM 715 OD2 ASP A 45 14.747 -0.532 -14.769 1.00 55.05 O ATOM 0 H ASP A 45 12.471 -3.065 -13.091 1.00 54.32 H new ATOM 0 HA ASP A 45 11.544 -0.294 -12.598 1.00 30.55 H new ATOM 0 HB2 ASP A 45 12.578 -1.689 -15.097 1.00 33.44 H new ATOM 0 HB3 ASP A 45 11.807 -0.116 -15.122 1.00 33.44 H new ATOM 720 N SER A 46 10.050 -2.747 -14.242 1.00 1.55 N ATOM 721 CA SER A 46 8.748 -3.247 -14.667 1.00 64.20 C ATOM 722 C SER A 46 8.431 -4.578 -13.991 1.00 53.33 C ATOM 723 O SER A 46 9.291 -5.452 -13.878 1.00 0.43 O ATOM 724 CB SER A 46 8.714 -3.414 -16.187 1.00 44.45 C ATOM 725 OG SER A 46 9.015 -2.193 -16.841 1.00 5.31 O ATOM 0 H SER A 46 10.829 -3.373 -14.445 1.00 1.55 H new ATOM 0 HA SER A 46 7.992 -2.519 -14.371 1.00 64.20 H new ATOM 0 HB2 SER A 46 9.431 -4.178 -16.488 1.00 44.45 H new ATOM 0 HB3 SER A 46 7.728 -3.762 -16.496 1.00 44.45 H new ATOM 0 HG SER A 46 8.989 -2.327 -17.811 1.00 5.31 H new ATOM 731 N THR A 47 7.188 -4.725 -13.543 1.00 53.13 N ATOM 732 CA THR A 47 6.755 -5.947 -12.878 1.00 31.04 C ATOM 733 C THR A 47 6.905 -7.155 -13.795 1.00 33.42 C ATOM 734 O THR A 47 7.117 -8.275 -13.331 1.00 20.02 O ATOM 735 CB THR A 47 5.289 -5.846 -12.416 1.00 30.15 C ATOM 736 OG1 THR A 47 4.861 -4.480 -12.438 1.00 2.23 O ATOM 737 CG2 THR A 47 5.123 -6.412 -11.013 1.00 45.11 C ATOM 0 H THR A 47 6.463 -4.012 -13.629 1.00 53.13 H new ATOM 0 HA THR A 47 7.395 -6.075 -12.005 1.00 31.04 H new ATOM 0 HB THR A 47 4.675 -6.430 -13.101 1.00 30.15 H new ATOM 0 HG1 THR A 47 3.928 -4.425 -12.145 1.00 2.23 H new ATOM 0 HG21 THR A 47 4.080 -6.330 -10.709 1.00 45.11 H new ATOM 0 HG22 THR A 47 5.421 -7.460 -11.006 1.00 45.11 H new ATOM 0 HG23 THR A 47 5.749 -5.852 -10.318 1.00 45.11 H new ATOM 745 N GLU A 48 6.793 -6.920 -15.099 1.00 22.45 N ATOM 746 CA GLU A 48 6.917 -7.992 -16.080 1.00 55.53 C ATOM 747 C GLU A 48 8.204 -8.781 -15.865 1.00 23.41 C ATOM 748 O GLU A 48 8.173 -9.995 -15.662 1.00 51.23 O ATOM 749 CB GLU A 48 6.888 -7.419 -17.499 1.00 13.10 C ATOM 750 CG GLU A 48 6.924 -8.481 -18.585 1.00 32.11 C ATOM 751 CD GLU A 48 6.329 -7.998 -19.893 1.00 75.22 C ATOM 752 OE1 GLU A 48 6.437 -6.789 -20.185 1.00 10.14 O ATOM 753 OE2 GLU A 48 5.754 -8.831 -20.626 1.00 2.20 O ATOM 0 H GLU A 48 6.617 -5.999 -15.500 1.00 22.45 H new ATOM 0 HA GLU A 48 6.072 -8.668 -15.950 1.00 55.53 H new ATOM 0 HB2 GLU A 48 5.987 -6.817 -17.621 1.00 13.10 H new ATOM 0 HB3 GLU A 48 7.738 -6.750 -17.629 1.00 13.10 H new ATOM 0 HG2 GLU A 48 7.956 -8.790 -18.752 1.00 32.11 H new ATOM 0 HG3 GLU A 48 6.379 -9.361 -18.245 1.00 32.11 H new ATOM 760 N GLN A 49 9.334 -8.083 -15.911 1.00 64.42 N ATOM 761 CA GLN A 49 10.633 -8.720 -15.723 1.00 12.54 C ATOM 762 C GLN A 49 10.785 -9.233 -14.295 1.00 30.23 C ATOM 763 O GLN A 49 11.542 -10.171 -14.038 1.00 52.32 O ATOM 764 CB GLN A 49 11.758 -7.735 -16.046 1.00 23.32 C ATOM 765 CG GLN A 49 11.622 -6.400 -15.333 1.00 53.51 C ATOM 766 CD GLN A 49 12.939 -5.656 -15.229 1.00 53.04 C ATOM 767 OE1 GLN A 49 13.285 -5.127 -14.173 1.00 32.24 O ATOM 768 NE2 GLN A 49 13.682 -5.612 -16.329 1.00 10.41 N ATOM 0 H GLN A 49 9.377 -7.077 -16.077 1.00 64.42 H new ATOM 0 HA GLN A 49 10.696 -9.569 -16.404 1.00 12.54 H new ATOM 0 HB2 GLN A 49 12.713 -8.186 -15.776 1.00 23.32 H new ATOM 0 HB3 GLN A 49 11.780 -7.562 -17.122 1.00 23.32 H new ATOM 0 HG2 GLN A 49 10.900 -5.780 -15.865 1.00 53.51 H new ATOM 0 HG3 GLN A 49 11.223 -6.566 -14.332 1.00 53.51 H new ATOM 0 HE21 GLN A 49 13.356 -6.065 -17.183 1.00 10.41 H new ATOM 0 HE22 GLN A 49 14.578 -5.126 -16.320 1.00 10.41 H new ATOM 777 N LEU A 50 10.062 -8.614 -13.368 1.00 40.33 N ATOM 778 CA LEU A 50 10.117 -9.008 -11.965 1.00 34.12 C ATOM 779 C LEU A 50 9.880 -10.507 -11.811 1.00 23.12 C ATOM 780 O LEU A 50 10.748 -11.235 -11.331 1.00 65.42 O ATOM 781 CB LEU A 50 9.077 -8.231 -11.155 1.00 43.54 C ATOM 782 CG LEU A 50 9.380 -8.056 -9.667 1.00 15.23 C ATOM 783 CD1 LEU A 50 9.402 -9.405 -8.965 1.00 11.44 C ATOM 784 CD2 LEU A 50 10.703 -7.330 -9.473 1.00 13.52 C ATOM 0 H LEU A 50 9.431 -7.837 -13.563 1.00 40.33 H new ATOM 0 HA LEU A 50 11.112 -8.775 -11.587 1.00 34.12 H new ATOM 0 HB2 LEU A 50 8.963 -7.243 -11.601 1.00 43.54 H new ATOM 0 HB3 LEU A 50 8.117 -8.738 -11.253 1.00 43.54 H new ATOM 0 HG LEU A 50 8.589 -7.451 -9.224 1.00 15.23 H new ATOM 0 HD11 LEU A 50 9.619 -9.261 -7.907 1.00 11.44 H new ATOM 0 HD12 LEU A 50 8.431 -9.888 -9.074 1.00 11.44 H new ATOM 0 HD13 LEU A 50 10.172 -10.035 -9.411 1.00 11.44 H new ATOM 0 HD21 LEU A 50 10.902 -7.215 -8.408 1.00 13.52 H new ATOM 0 HD22 LEU A 50 11.506 -7.908 -9.931 1.00 13.52 H new ATOM 0 HD23 LEU A 50 10.651 -6.347 -9.941 1.00 13.52 H new ATOM 796 N GLU A 51 8.701 -10.960 -12.223 1.00 35.52 N ATOM 797 CA GLU A 51 8.352 -12.373 -12.131 1.00 74.34 C ATOM 798 C GLU A 51 9.282 -13.220 -12.995 1.00 32.50 C ATOM 799 O GLU A 51 9.478 -14.408 -12.735 1.00 11.40 O ATOM 800 CB GLU A 51 6.899 -12.592 -12.561 1.00 44.31 C ATOM 801 CG GLU A 51 5.911 -11.681 -11.852 1.00 23.13 C ATOM 802 CD GLU A 51 4.469 -12.071 -12.111 1.00 51.42 C ATOM 803 OE1 GLU A 51 4.133 -12.361 -13.278 1.00 51.32 O ATOM 804 OE2 GLU A 51 3.676 -12.085 -11.146 1.00 63.31 O ATOM 0 H GLU A 51 7.972 -10.370 -12.623 1.00 35.52 H new ATOM 0 HA GLU A 51 8.467 -12.682 -11.092 1.00 74.34 H new ATOM 0 HB2 GLU A 51 6.819 -12.434 -13.636 1.00 44.31 H new ATOM 0 HB3 GLU A 51 6.625 -13.630 -12.371 1.00 44.31 H new ATOM 0 HG2 GLU A 51 6.104 -11.707 -10.779 1.00 23.13 H new ATOM 0 HG3 GLU A 51 6.070 -10.654 -12.180 1.00 23.13 H new ATOM 811 N SER A 52 9.852 -12.601 -14.024 1.00 33.31 N ATOM 812 CA SER A 52 10.758 -13.298 -14.929 1.00 71.40 C ATOM 813 C SER A 52 12.041 -13.702 -14.209 1.00 1.40 C ATOM 814 O SER A 52 12.717 -14.650 -14.607 1.00 31.41 O ATOM 815 CB SER A 52 11.091 -12.414 -16.132 1.00 60.01 C ATOM 816 OG SER A 52 11.632 -13.181 -17.194 1.00 52.53 O ATOM 0 H SER A 52 9.702 -11.618 -14.252 1.00 33.31 H new ATOM 0 HA SER A 52 10.259 -14.202 -15.279 1.00 71.40 H new ATOM 0 HB2 SER A 52 10.191 -11.902 -16.471 1.00 60.01 H new ATOM 0 HB3 SER A 52 11.803 -11.644 -15.836 1.00 60.01 H new ATOM 0 HG SER A 52 11.835 -12.593 -17.952 1.00 52.53 H new ATOM 822 N TRP A 53 12.370 -12.974 -13.148 1.00 12.11 N ATOM 823 CA TRP A 53 13.572 -13.255 -12.371 1.00 41.24 C ATOM 824 C TRP A 53 13.385 -14.499 -11.510 1.00 3.22 C ATOM 825 O TRP A 53 14.189 -15.430 -11.564 1.00 41.20 O ATOM 826 CB TRP A 53 13.926 -12.057 -11.489 1.00 12.40 C ATOM 827 CG TRP A 53 14.667 -12.435 -10.242 1.00 74.13 C ATOM 828 CD1 TRP A 53 14.349 -12.083 -8.961 1.00 70.45 C ATOM 829 CD2 TRP A 53 15.850 -13.236 -10.159 1.00 22.33 C ATOM 830 NE1 TRP A 53 15.264 -12.618 -8.087 1.00 11.24 N ATOM 831 CE2 TRP A 53 16.194 -13.330 -8.796 1.00 24.11 C ATOM 832 CE3 TRP A 53 16.652 -13.885 -11.102 1.00 35.32 C ATOM 833 CZ2 TRP A 53 17.305 -14.045 -8.357 1.00 22.44 C ATOM 834 CZ3 TRP A 53 17.754 -14.595 -10.664 1.00 52.52 C ATOM 835 CH2 TRP A 53 18.072 -14.671 -9.302 1.00 1.23 C ATOM 0 H TRP A 53 11.822 -12.185 -12.806 1.00 12.11 H new ATOM 0 HA TRP A 53 14.390 -13.438 -13.068 1.00 41.24 H new ATOM 0 HB2 TRP A 53 14.532 -11.357 -12.065 1.00 12.40 H new ATOM 0 HB3 TRP A 53 13.010 -11.534 -11.214 1.00 12.40 H new ATOM 0 HD1 TRP A 53 13.503 -11.474 -8.677 1.00 70.45 H new ATOM 0 HE1 TRP A 53 15.252 -12.503 -7.074 1.00 11.24 H new ATOM 0 HE3 TRP A 53 16.415 -13.833 -12.154 1.00 35.32 H new ATOM 0 HZ2 TRP A 53 17.553 -14.104 -7.307 1.00 22.44 H new ATOM 0 HZ3 TRP A 53 18.381 -15.100 -11.384 1.00 52.52 H new ATOM 0 HH2 TRP A 53 18.939 -15.235 -8.991 1.00 1.23 H new ATOM 846 N PHE A 54 12.320 -14.509 -10.715 1.00 41.42 N ATOM 847 CA PHE A 54 12.029 -15.639 -9.841 1.00 53.12 C ATOM 848 C PHE A 54 11.546 -16.840 -10.649 1.00 32.35 C ATOM 849 O PHE A 54 11.385 -17.938 -10.113 1.00 42.55 O ATOM 850 CB PHE A 54 10.973 -15.250 -8.804 1.00 4.22 C ATOM 851 CG PHE A 54 10.527 -16.397 -7.943 1.00 71.25 C ATOM 852 CD1 PHE A 54 11.436 -17.085 -7.156 1.00 63.15 C ATOM 853 CD2 PHE A 54 9.198 -16.788 -7.922 1.00 72.23 C ATOM 854 CE1 PHE A 54 11.029 -18.141 -6.363 1.00 72.23 C ATOM 855 CE2 PHE A 54 8.784 -17.843 -7.131 1.00 24.11 C ATOM 856 CZ PHE A 54 9.701 -18.521 -6.351 1.00 61.35 C ATOM 0 H PHE A 54 11.644 -13.747 -10.658 1.00 41.42 H new ATOM 0 HA PHE A 54 12.949 -15.915 -9.326 1.00 53.12 H new ATOM 0 HB2 PHE A 54 11.374 -14.462 -8.166 1.00 4.22 H new ATOM 0 HB3 PHE A 54 10.107 -14.834 -9.318 1.00 4.22 H new ATOM 0 HD1 PHE A 54 12.476 -16.792 -7.162 1.00 63.15 H new ATOM 0 HD2 PHE A 54 8.477 -16.262 -8.531 1.00 72.23 H new ATOM 0 HE1 PHE A 54 11.748 -18.668 -5.754 1.00 72.23 H new ATOM 0 HE2 PHE A 54 7.745 -18.137 -7.123 1.00 24.11 H new ATOM 0 HZ PHE A 54 9.380 -19.347 -5.733 1.00 61.35 H new ATOM 866 N TYR A 55 11.316 -16.624 -11.939 1.00 34.32 N ATOM 867 CA TYR A 55 10.848 -17.688 -12.820 1.00 41.52 C ATOM 868 C TYR A 55 11.962 -18.149 -13.756 1.00 14.34 C ATOM 869 O TYR A 55 11.909 -19.247 -14.308 1.00 0.21 O ATOM 870 CB TYR A 55 9.646 -17.210 -13.637 1.00 30.13 C ATOM 871 CG TYR A 55 9.279 -18.138 -14.773 1.00 51.40 C ATOM 872 CD1 TYR A 55 9.889 -18.020 -16.016 1.00 31.20 C ATOM 873 CD2 TYR A 55 8.322 -19.130 -14.604 1.00 72.33 C ATOM 874 CE1 TYR A 55 9.556 -18.865 -17.057 1.00 44.14 C ATOM 875 CE2 TYR A 55 7.984 -19.980 -15.640 1.00 21.35 C ATOM 876 CZ TYR A 55 8.604 -19.844 -16.864 1.00 51.51 C ATOM 877 OH TYR A 55 8.269 -20.687 -17.898 1.00 62.33 O ATOM 0 H TYR A 55 11.446 -15.722 -12.398 1.00 34.32 H new ATOM 0 HA TYR A 55 10.546 -18.532 -12.200 1.00 41.52 H new ATOM 0 HB2 TYR A 55 8.787 -17.102 -12.975 1.00 30.13 H new ATOM 0 HB3 TYR A 55 9.862 -16.221 -14.042 1.00 30.13 H new ATOM 0 HD1 TYR A 55 10.636 -17.255 -16.171 1.00 31.20 H new ATOM 0 HD2 TYR A 55 7.834 -19.239 -13.647 1.00 72.33 H new ATOM 0 HE1 TYR A 55 10.039 -18.759 -18.017 1.00 44.14 H new ATOM 0 HE2 TYR A 55 7.238 -20.747 -15.492 1.00 21.35 H new ATOM 0 HH TYR A 55 7.584 -21.319 -17.596 1.00 62.33 H new ATOM 887 N GLY A 56 12.971 -17.300 -13.928 1.00 34.02 N ATOM 888 CA GLY A 56 14.084 -17.637 -14.796 1.00 35.10 C ATOM 889 C GLY A 56 15.084 -18.558 -14.125 1.00 53.15 C ATOM 890 O GLY A 56 15.755 -19.348 -14.791 1.00 11.12 O ATOM 0 H GLY A 56 13.037 -16.385 -13.482 1.00 34.02 H new ATOM 0 HA2 GLY A 56 13.705 -18.114 -15.700 1.00 35.10 H new ATOM 0 HA3 GLY A 56 14.589 -16.722 -15.106 1.00 35.10 H new ATOM 894 N LEU A 57 15.186 -18.456 -12.805 1.00 31.41 N ATOM 895 CA LEU A 57 16.113 -19.286 -12.043 1.00 42.12 C ATOM 896 C LEU A 57 15.928 -20.762 -12.382 1.00 43.52 C ATOM 897 O LEU A 57 14.849 -21.202 -12.779 1.00 64.13 O ATOM 898 CB LEU A 57 15.911 -19.066 -10.543 1.00 73.20 C ATOM 899 CG LEU A 57 16.434 -17.744 -9.982 1.00 4.24 C ATOM 900 CD1 LEU A 57 15.637 -17.332 -8.754 1.00 52.10 C ATOM 901 CD2 LEU A 57 17.914 -17.856 -9.645 1.00 43.25 C ATOM 0 H LEU A 57 14.639 -17.807 -12.240 1.00 31.41 H new ATOM 0 HA LEU A 57 17.128 -18.995 -12.313 1.00 42.12 H new ATOM 0 HB2 LEU A 57 14.845 -19.133 -10.327 1.00 73.20 H new ATOM 0 HB3 LEU A 57 16.397 -19.882 -10.008 1.00 73.20 H new ATOM 0 HG LEU A 57 16.312 -16.975 -10.745 1.00 4.24 H new ATOM 0 HD11 LEU A 57 16.024 -16.389 -8.369 1.00 52.10 H new ATOM 0 HD12 LEU A 57 14.588 -17.210 -9.025 1.00 52.10 H new ATOM 0 HD13 LEU A 57 15.727 -18.101 -7.987 1.00 52.10 H new ATOM 0 HD21 LEU A 57 18.269 -16.906 -9.247 1.00 43.25 H new ATOM 0 HD22 LEU A 57 18.059 -18.639 -8.900 1.00 43.25 H new ATOM 0 HD23 LEU A 57 18.475 -18.104 -10.546 1.00 43.25 H new ATOM 913 N PRO A 58 17.005 -21.545 -12.220 1.00 75.55 N ATOM 914 CA PRO A 58 16.985 -22.984 -12.501 1.00 63.21 C ATOM 915 C PRO A 58 16.146 -23.760 -11.492 1.00 24.53 C ATOM 916 O PRO A 58 15.308 -24.579 -11.866 1.00 33.02 O ATOM 917 CB PRO A 58 18.458 -23.386 -12.394 1.00 23.21 C ATOM 918 CG PRO A 58 19.063 -22.370 -11.488 1.00 64.10 C ATOM 919 CD PRO A 58 18.323 -21.088 -11.751 1.00 10.13 C ATOM 0 HA PRO A 58 16.538 -23.204 -13.470 1.00 63.21 H new ATOM 0 HB2 PRO A 58 18.565 -24.392 -11.988 1.00 23.21 H new ATOM 0 HB3 PRO A 58 18.941 -23.383 -13.371 1.00 23.21 H new ATOM 0 HG2 PRO A 58 18.965 -22.670 -10.445 1.00 64.10 H new ATOM 0 HG3 PRO A 58 20.128 -22.254 -11.688 1.00 64.10 H new ATOM 0 HD2 PRO A 58 18.240 -20.480 -10.850 1.00 10.13 H new ATOM 0 HD3 PRO A 58 18.828 -20.479 -12.501 1.00 10.13 H new ATOM 927 N GLY A 59 16.378 -23.497 -10.209 1.00 65.41 N ATOM 928 CA GLY A 59 15.636 -24.180 -9.166 1.00 13.23 C ATOM 929 C GLY A 59 14.136 -24.067 -9.354 1.00 32.44 C ATOM 930 O GLY A 59 13.667 -23.377 -10.258 1.00 53.23 O ATOM 0 H GLY A 59 17.067 -22.823 -9.874 1.00 65.41 H new ATOM 0 HA2 GLY A 59 15.919 -25.232 -9.152 1.00 13.23 H new ATOM 0 HA3 GLY A 59 15.910 -23.763 -8.197 1.00 13.23 H new ATOM 934 N SER A 60 13.381 -24.749 -8.498 1.00 31.20 N ATOM 935 CA SER A 60 11.925 -24.727 -8.577 1.00 61.34 C ATOM 936 C SER A 60 11.303 -24.924 -7.198 1.00 52.33 C ATOM 937 O SER A 60 11.515 -25.947 -6.549 1.00 3.31 O ATOM 938 CB SER A 60 11.429 -25.814 -9.533 1.00 31.42 C ATOM 939 OG SER A 60 12.353 -26.029 -10.585 1.00 41.24 O ATOM 0 H SER A 60 13.754 -25.323 -7.742 1.00 31.20 H new ATOM 0 HA SER A 60 11.621 -23.752 -8.957 1.00 61.34 H new ATOM 0 HB2 SER A 60 11.276 -26.743 -8.984 1.00 31.42 H new ATOM 0 HB3 SER A 60 10.463 -25.525 -9.947 1.00 31.42 H new ATOM 0 HG SER A 60 12.013 -26.729 -11.181 1.00 41.24 H new ATOM 945 N GLY A 61 10.532 -23.934 -6.757 1.00 41.02 N ATOM 946 CA GLY A 61 9.890 -24.016 -5.458 1.00 63.12 C ATOM 947 C GLY A 61 10.787 -23.531 -4.337 1.00 2.43 C ATOM 948 O GLY A 61 11.465 -22.511 -4.471 1.00 13.33 O ATOM 0 H GLY A 61 10.341 -23.077 -7.276 1.00 41.02 H new ATOM 0 HA2 GLY A 61 8.976 -23.423 -5.470 1.00 63.12 H new ATOM 0 HA3 GLY A 61 9.598 -25.048 -5.265 1.00 63.12 H new ATOM 952 N LEU A 62 10.792 -24.261 -3.227 1.00 15.41 N ATOM 953 CA LEU A 62 11.611 -23.898 -2.076 1.00 0.13 C ATOM 954 C LEU A 62 13.094 -23.928 -2.432 1.00 11.31 C ATOM 955 O LEU A 62 13.926 -23.369 -1.718 1.00 55.33 O ATOM 956 CB LEU A 62 11.336 -24.848 -0.909 1.00 72.21 C ATOM 957 CG LEU A 62 9.871 -25.001 -0.499 1.00 54.11 C ATOM 958 CD1 LEU A 62 9.625 -26.375 0.104 1.00 65.53 C ATOM 959 CD2 LEU A 62 9.475 -23.908 0.483 1.00 52.34 C ATOM 0 H LEU A 62 10.238 -25.108 -3.100 1.00 15.41 H new ATOM 0 HA LEU A 62 11.347 -22.883 -1.780 1.00 0.13 H new ATOM 0 HB2 LEU A 62 11.724 -25.833 -1.169 1.00 72.21 H new ATOM 0 HB3 LEU A 62 11.900 -24.501 -0.043 1.00 72.21 H new ATOM 0 HG LEU A 62 9.253 -24.903 -1.391 1.00 54.11 H new ATOM 0 HD11 LEU A 62 8.577 -26.465 0.390 1.00 65.53 H new ATOM 0 HD12 LEU A 62 9.868 -27.143 -0.630 1.00 65.53 H new ATOM 0 HD13 LEU A 62 10.253 -26.503 0.985 1.00 65.53 H new ATOM 0 HD21 LEU A 62 8.429 -24.033 0.764 1.00 52.34 H new ATOM 0 HD22 LEU A 62 10.100 -23.975 1.373 1.00 52.34 H new ATOM 0 HD23 LEU A 62 9.612 -22.933 0.016 1.00 52.34 H new ATOM 971 N GLY A 63 13.418 -24.583 -3.543 1.00 34.03 N ATOM 972 CA GLY A 63 14.800 -24.672 -3.976 1.00 11.34 C ATOM 973 C GLY A 63 15.372 -23.324 -4.369 1.00 32.11 C ATOM 974 O GLY A 63 16.555 -23.058 -4.155 1.00 14.12 O ATOM 0 H GLY A 63 12.748 -25.054 -4.151 1.00 34.03 H new ATOM 0 HA2 GLY A 63 15.402 -25.099 -3.174 1.00 11.34 H new ATOM 0 HA3 GLY A 63 14.869 -25.354 -4.824 1.00 11.34 H new ATOM 978 N ARG A 64 14.531 -22.472 -4.947 1.00 64.43 N ATOM 979 CA ARG A 64 14.961 -21.146 -5.374 1.00 60.33 C ATOM 980 C ARG A 64 15.102 -20.209 -4.178 1.00 75.04 C ATOM 981 O ARG A 64 15.599 -19.090 -4.309 1.00 61.34 O ATOM 982 CB ARG A 64 13.965 -20.563 -6.379 1.00 24.13 C ATOM 983 CG ARG A 64 14.111 -21.132 -7.781 1.00 12.13 C ATOM 984 CD ARG A 64 13.085 -20.536 -8.733 1.00 22.44 C ATOM 985 NE ARG A 64 11.872 -21.346 -8.806 1.00 52.31 N ATOM 986 CZ ARG A 64 11.055 -21.352 -9.854 1.00 22.52 C ATOM 987 NH1 ARG A 64 11.321 -20.597 -10.911 1.00 23.53 N ATOM 988 NH2 ARG A 64 9.970 -22.116 -9.846 1.00 21.12 N ATOM 0 H ARG A 64 13.549 -22.676 -5.130 1.00 64.43 H new ATOM 0 HA ARG A 64 15.935 -21.244 -5.853 1.00 60.33 H new ATOM 0 HB2 ARG A 64 12.952 -20.750 -6.024 1.00 24.13 H new ATOM 0 HB3 ARG A 64 14.094 -19.481 -6.420 1.00 24.13 H new ATOM 0 HG2 ARG A 64 15.115 -20.931 -8.154 1.00 12.13 H new ATOM 0 HG3 ARG A 64 13.994 -22.215 -7.749 1.00 12.13 H new ATOM 0 HD2 ARG A 64 12.829 -19.528 -8.406 1.00 22.44 H new ATOM 0 HD3 ARG A 64 13.522 -20.447 -9.728 1.00 22.44 H new ATOM 0 HE ARG A 64 11.639 -21.939 -8.010 1.00 52.31 H new ATOM 0 HH11 ARG A 64 12.155 -20.009 -10.921 1.00 23.53 H new ATOM 0 HH12 ARG A 64 10.692 -20.604 -11.714 1.00 23.53 H new ATOM 0 HH21 ARG A 64 9.763 -22.699 -9.035 1.00 21.12 H new ATOM 0 HH22 ARG A 64 9.343 -22.120 -10.651 1.00 21.12 H new ATOM 1002 N ILE A 65 14.660 -20.673 -3.015 1.00 34.25 N ATOM 1003 CA ILE A 65 14.737 -19.877 -1.796 1.00 53.22 C ATOM 1004 C ILE A 65 16.169 -19.435 -1.518 1.00 44.11 C ATOM 1005 O ILE A 65 16.407 -18.313 -1.073 1.00 4.32 O ATOM 1006 CB ILE A 65 14.207 -20.657 -0.579 1.00 33.31 C ATOM 1007 CG1 ILE A 65 12.712 -20.943 -0.740 1.00 42.10 C ATOM 1008 CG2 ILE A 65 14.468 -19.881 0.703 1.00 52.50 C ATOM 1009 CD1 ILE A 65 11.833 -19.749 -0.440 1.00 20.23 C ATOM 0 H ILE A 65 14.245 -21.596 -2.890 1.00 34.25 H new ATOM 0 HA ILE A 65 14.112 -18.998 -1.954 1.00 53.22 H new ATOM 0 HB ILE A 65 14.735 -21.608 -0.518 1.00 33.31 H new ATOM 0 HG12 ILE A 65 12.522 -21.277 -1.760 1.00 42.10 H new ATOM 0 HG13 ILE A 65 12.434 -21.764 -0.079 1.00 42.10 H new ATOM 0 HG21 ILE A 65 14.087 -20.446 1.554 1.00 52.50 H new ATOM 0 HG22 ILE A 65 15.540 -19.724 0.822 1.00 52.50 H new ATOM 0 HG23 ILE A 65 13.964 -18.916 0.653 1.00 52.50 H new ATOM 0 HD11 ILE A 65 10.787 -20.024 -0.574 1.00 20.23 H new ATOM 0 HD12 ILE A 65 11.994 -19.428 0.589 1.00 20.23 H new ATOM 0 HD13 ILE A 65 12.083 -18.933 -1.118 1.00 20.23 H new ATOM 1021 N GLU A 66 17.120 -20.325 -1.786 1.00 0.14 N ATOM 1022 CA GLU A 66 18.530 -20.025 -1.565 1.00 31.42 C ATOM 1023 C GLU A 66 19.155 -19.402 -2.810 1.00 23.54 C ATOM 1024 O GLU A 66 19.983 -18.497 -2.714 1.00 74.05 O ATOM 1025 CB GLU A 66 19.290 -21.296 -1.180 1.00 61.54 C ATOM 1026 CG GLU A 66 19.370 -22.320 -2.301 1.00 3.15 C ATOM 1027 CD GLU A 66 19.777 -23.695 -1.807 1.00 1.33 C ATOM 1028 OE1 GLU A 66 20.240 -23.796 -0.651 1.00 33.30 O ATOM 1029 OE2 GLU A 66 19.633 -24.668 -2.575 1.00 63.30 O ATOM 0 H GLU A 66 16.940 -21.258 -2.156 1.00 0.14 H new ATOM 0 HA GLU A 66 18.599 -19.308 -0.747 1.00 31.42 H new ATOM 0 HB2 GLU A 66 20.300 -21.026 -0.873 1.00 61.54 H new ATOM 0 HB3 GLU A 66 18.805 -21.752 -0.317 1.00 61.54 H new ATOM 0 HG2 GLU A 66 18.401 -22.388 -2.796 1.00 3.15 H new ATOM 0 HG3 GLU A 66 20.087 -21.980 -3.048 1.00 3.15 H new ATOM 1036 N ASN A 67 18.753 -19.896 -3.976 1.00 43.45 N ATOM 1037 CA ASN A 67 19.275 -19.389 -5.241 1.00 14.22 C ATOM 1038 C ASN A 67 18.881 -17.929 -5.445 1.00 45.12 C ATOM 1039 O ASN A 67 19.739 -17.063 -5.615 1.00 11.43 O ATOM 1040 CB ASN A 67 18.758 -20.236 -6.406 1.00 12.34 C ATOM 1041 CG ASN A 67 19.723 -21.341 -6.790 1.00 14.15 C ATOM 1042 OD1 ASN A 67 19.385 -22.523 -6.729 1.00 61.33 O ATOM 1043 ND2 ASN A 67 20.931 -20.960 -7.187 1.00 10.42 N ATOM 0 H ASN A 67 18.068 -20.646 -4.072 1.00 43.45 H new ATOM 0 HA ASN A 67 20.363 -19.453 -5.209 1.00 14.22 H new ATOM 0 HB2 ASN A 67 17.797 -20.674 -6.135 1.00 12.34 H new ATOM 0 HB3 ASN A 67 18.583 -19.594 -7.269 1.00 12.34 H new ATOM 0 HD21 ASN A 67 21.623 -21.659 -7.457 1.00 10.42 H new ATOM 0 HD22 ASN A 67 21.167 -19.968 -7.222 1.00 10.42 H new ATOM 1050 N ALA A 68 17.579 -17.664 -5.427 1.00 62.41 N ATOM 1051 CA ALA A 68 17.072 -16.310 -5.608 1.00 3.34 C ATOM 1052 C ALA A 68 17.599 -15.377 -4.522 1.00 62.22 C ATOM 1053 O ALA A 68 18.166 -14.325 -4.816 1.00 64.42 O ATOM 1054 CB ALA A 68 15.551 -16.312 -5.612 1.00 12.35 C ATOM 0 H ALA A 68 16.856 -18.370 -5.289 1.00 62.41 H new ATOM 0 HA ALA A 68 17.426 -15.941 -6.571 1.00 3.34 H new ATOM 0 HB1 ALA A 68 15.186 -15.294 -5.748 1.00 12.35 H new ATOM 0 HB2 ALA A 68 15.190 -16.939 -6.427 1.00 12.35 H new ATOM 0 HB3 ALA A 68 15.185 -16.705 -4.663 1.00 12.35 H new ATOM 1060 N MET A 69 17.407 -15.770 -3.267 1.00 42.40 N ATOM 1061 CA MET A 69 17.864 -14.968 -2.138 1.00 1.03 C ATOM 1062 C MET A 69 19.346 -14.632 -2.273 1.00 70.55 C ATOM 1063 O MET A 69 19.749 -13.482 -2.106 1.00 21.42 O ATOM 1064 CB MET A 69 17.616 -15.711 -0.824 1.00 33.03 C ATOM 1065 CG MET A 69 18.122 -14.966 0.401 1.00 60.02 C ATOM 1066 SD MET A 69 19.060 -16.024 1.519 1.00 64.40 S ATOM 1067 CE MET A 69 17.748 -17.014 2.230 1.00 14.22 C ATOM 0 H MET A 69 16.939 -16.638 -3.006 1.00 42.40 H new ATOM 0 HA MET A 69 17.298 -14.037 -2.134 1.00 1.03 H new ATOM 0 HB2 MET A 69 16.546 -15.890 -0.714 1.00 33.03 H new ATOM 0 HB3 MET A 69 18.100 -16.687 -0.871 1.00 33.03 H new ATOM 0 HG2 MET A 69 18.750 -14.134 0.082 1.00 60.02 H new ATOM 0 HG3 MET A 69 17.275 -14.538 0.937 1.00 60.02 H new ATOM 0 HE1 MET A 69 17.815 -16.981 3.317 1.00 14.22 H new ATOM 0 HE2 MET A 69 16.782 -16.619 1.914 1.00 14.22 H new ATOM 0 HE3 MET A 69 17.846 -18.046 1.892 1.00 14.22 H new ATOM 1077 N ASN A 70 20.152 -15.645 -2.578 1.00 11.43 N ATOM 1078 CA ASN A 70 21.590 -15.456 -2.735 1.00 35.31 C ATOM 1079 C ASN A 70 21.888 -14.441 -3.834 1.00 62.20 C ATOM 1080 O ASN A 70 22.979 -13.874 -3.888 1.00 53.30 O ATOM 1081 CB ASN A 70 22.267 -16.789 -3.059 1.00 22.35 C ATOM 1082 CG ASN A 70 23.769 -16.652 -3.213 1.00 45.43 C ATOM 1083 OD1 ASN A 70 24.274 -16.434 -4.315 1.00 72.01 O ATOM 1084 ND2 ASN A 70 24.492 -16.779 -2.107 1.00 2.55 N ATOM 0 H ASN A 70 19.834 -16.604 -2.721 1.00 11.43 H new ATOM 0 HA ASN A 70 21.987 -15.073 -1.795 1.00 35.31 H new ATOM 0 HB2 ASN A 70 22.050 -17.506 -2.267 1.00 22.35 H new ATOM 0 HB3 ASN A 70 21.845 -17.193 -3.979 1.00 22.35 H new ATOM 0 HD21 ASN A 70 25.508 -16.696 -2.149 1.00 2.55 H new ATOM 0 HD22 ASN A 70 24.032 -16.959 -1.215 1.00 2.55 H new ATOM 1091 N GLU A 71 20.911 -14.218 -4.707 1.00 41.04 N ATOM 1092 CA GLU A 71 21.070 -13.271 -5.805 1.00 62.41 C ATOM 1093 C GLU A 71 20.690 -11.860 -5.366 1.00 24.21 C ATOM 1094 O GLU A 71 21.462 -10.916 -5.540 1.00 74.11 O ATOM 1095 CB GLU A 71 20.213 -13.693 -7.000 1.00 71.42 C ATOM 1096 CG GLU A 71 20.901 -13.501 -8.341 1.00 40.01 C ATOM 1097 CD GLU A 71 20.374 -12.298 -9.100 1.00 22.51 C ATOM 1098 OE1 GLU A 71 20.563 -11.162 -8.617 1.00 74.43 O ATOM 1099 OE2 GLU A 71 19.773 -12.494 -10.177 1.00 64.33 O ATOM 0 H GLU A 71 20.002 -14.679 -4.676 1.00 41.04 H new ATOM 0 HA GLU A 71 22.119 -13.271 -6.101 1.00 62.41 H new ATOM 0 HB2 GLU A 71 19.940 -14.742 -6.888 1.00 71.42 H new ATOM 0 HB3 GLU A 71 19.286 -13.120 -6.992 1.00 71.42 H new ATOM 0 HG2 GLU A 71 21.973 -13.384 -8.182 1.00 40.01 H new ATOM 0 HG3 GLU A 71 20.764 -14.397 -8.947 1.00 40.01 H new ATOM 1106 N ILE A 72 19.498 -11.725 -4.797 1.00 35.15 N ATOM 1107 CA ILE A 72 19.016 -10.430 -4.332 1.00 74.21 C ATOM 1108 C ILE A 72 19.782 -9.969 -3.097 1.00 70.10 C ATOM 1109 O ILE A 72 19.748 -8.793 -2.736 1.00 13.12 O ATOM 1110 CB ILE A 72 17.512 -10.474 -4.002 1.00 72.53 C ATOM 1111 CG1 ILE A 72 16.718 -10.979 -5.209 1.00 34.22 C ATOM 1112 CG2 ILE A 72 17.022 -9.098 -3.577 1.00 61.31 C ATOM 1113 CD1 ILE A 72 16.956 -10.176 -6.468 1.00 41.02 C ATOM 0 H ILE A 72 18.848 -12.496 -4.647 1.00 35.15 H new ATOM 0 HA ILE A 72 19.181 -9.722 -5.144 1.00 74.21 H new ATOM 0 HB ILE A 72 17.357 -11.165 -3.173 1.00 72.53 H new ATOM 0 HG12 ILE A 72 16.981 -12.020 -5.397 1.00 34.22 H new ATOM 0 HG13 ILE A 72 15.655 -10.957 -4.969 1.00 34.22 H new ATOM 0 HG21 ILE A 72 15.958 -9.146 -3.347 1.00 61.31 H new ATOM 0 HG22 ILE A 72 17.570 -8.774 -2.692 1.00 61.31 H new ATOM 0 HG23 ILE A 72 17.187 -8.387 -4.387 1.00 61.31 H new ATOM 0 HD11 ILE A 72 16.361 -10.591 -7.282 1.00 41.02 H new ATOM 0 HD12 ILE A 72 16.666 -9.139 -6.298 1.00 41.02 H new ATOM 0 HD13 ILE A 72 18.013 -10.219 -6.733 1.00 41.02 H new ATOM 1125 N SER A 73 20.475 -10.904 -2.454 1.00 52.31 N ATOM 1126 CA SER A 73 21.249 -10.594 -1.258 1.00 11.02 C ATOM 1127 C SER A 73 22.645 -10.102 -1.627 1.00 1.34 C ATOM 1128 O SER A 73 23.483 -9.869 -0.755 1.00 43.15 O ATOM 1129 CB SER A 73 21.352 -11.827 -0.358 1.00 12.12 C ATOM 1130 OG SER A 73 21.816 -11.477 0.935 1.00 73.42 O ATOM 0 H SER A 73 20.516 -11.882 -2.741 1.00 52.31 H new ATOM 0 HA SER A 73 20.734 -9.800 -0.717 1.00 11.02 H new ATOM 0 HB2 SER A 73 20.376 -12.307 -0.280 1.00 12.12 H new ATOM 0 HB3 SER A 73 22.030 -12.553 -0.807 1.00 12.12 H new ATOM 0 HG SER A 73 22.538 -10.819 0.856 1.00 73.42 H new ATOM 1136 N ARG A 74 22.887 -9.946 -2.924 1.00 40.40 N ATOM 1137 CA ARG A 74 24.181 -9.482 -3.410 1.00 23.44 C ATOM 1138 C ARG A 74 24.311 -7.970 -3.253 1.00 23.11 C ATOM 1139 O ARG A 74 23.467 -7.326 -2.630 1.00 50.23 O ATOM 1140 CB ARG A 74 24.369 -9.872 -4.877 1.00 54.20 C ATOM 1141 CG ARG A 74 24.285 -11.369 -5.125 1.00 62.03 C ATOM 1142 CD ARG A 74 25.508 -12.092 -4.584 1.00 64.42 C ATOM 1143 NE ARG A 74 25.785 -13.324 -5.318 1.00 60.31 N ATOM 1144 CZ ARG A 74 26.932 -13.990 -5.232 1.00 15.42 C ATOM 1145 NH1 ARG A 74 27.903 -13.544 -4.447 1.00 32.00 N ATOM 1146 NH2 ARG A 74 27.108 -15.103 -5.931 1.00 31.50 N ATOM 0 H ARG A 74 22.204 -10.134 -3.658 1.00 40.40 H new ATOM 0 HA ARG A 74 24.957 -9.960 -2.812 1.00 23.44 H new ATOM 0 HB2 ARG A 74 23.611 -9.370 -5.478 1.00 54.20 H new ATOM 0 HB3 ARG A 74 25.338 -9.509 -5.219 1.00 54.20 H new ATOM 0 HG2 ARG A 74 23.387 -11.767 -4.653 1.00 62.03 H new ATOM 0 HG3 ARG A 74 24.193 -11.557 -6.195 1.00 62.03 H new ATOM 0 HD2 ARG A 74 26.374 -11.433 -4.642 1.00 64.42 H new ATOM 0 HD3 ARG A 74 25.355 -12.325 -3.530 1.00 64.42 H new ATOM 0 HE ARG A 74 25.058 -13.694 -5.930 1.00 60.31 H new ATOM 0 HH11 ARG A 74 27.770 -12.688 -3.908 1.00 32.00 H new ATOM 0 HH12 ARG A 74 28.783 -14.057 -4.382 1.00 32.00 H new ATOM 0 HH21 ARG A 74 26.363 -15.449 -6.535 1.00 31.50 H new ATOM 0 HH22 ARG A 74 27.989 -15.613 -5.864 1.00 31.50 H new