USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 ASN : amide:sc= -4.15! C(o=-4.9!,f=-9.7!) USER MOD Set 1.2: A 18 THR OG1 : rot 180:sc= -0.743 USER MOD Single : A 1 MET CE :methyl -122:sc= -5.98! (180deg=-7.84!) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.214 (180deg=0.141) USER MOD Single : A 2 THR OG1 : rot 96:sc= 1.29 USER MOD Single : A 4 CYS SG : rot 180:sc= -3.34! USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 130:sc= -0.42 USER MOD Single : A 10 SER OG : rot -96:sc= 0.474 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 33:sc= 0.218 USER MOD Single : A 23 MET CE :methyl -113:sc= -0.316 (180deg=-1.37) USER MOD Single : A 29 SER OG : rot -39:sc= -0.119 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.429 USER MOD Single : A 40 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.63) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -127:sc= -3.24 (180deg=-6.65!) USER MOD Single : A 46 MET CE :methyl -162:sc= -0.0506 (180deg=-0.393) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 20:sc= 1.69 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.875 USER MOD Single : A 71 ASN : amide:sc= -2.32! K(o=-2.3!,f=-0.24) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -142:sc= -5.38! (180deg=-8.16!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0467 USER MOD Single : A 80 SER OG : rot 136:sc= 1.86 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0338 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 88 MET CE :methyl -159:sc= -5.45! (180deg=-6.24!) USER MOD Single : A 89 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0385) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -53:sc= 1.66 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.97) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 16:sc= 0.164 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.429 -0.240 0.331 1.00 3.00 N ATOM 2 CA MET A 1 2.066 -0.145 -0.978 1.00 33.24 C ATOM 3 C MET A 1 3.428 -0.832 -0.971 1.00 10.43 C ATOM 4 O MET A 1 3.930 -1.228 0.082 1.00 71.33 O ATOM 5 CB MET A 1 2.222 1.320 -1.387 1.00 43.54 C ATOM 6 CG MET A 1 2.353 2.271 -0.208 1.00 74.41 C ATOM 7 SD MET A 1 3.789 1.909 0.820 1.00 31.30 S ATOM 8 CE MET A 1 5.097 1.939 -0.403 1.00 60.11 C ATOM 0 H1 MET A 1 0.561 0.333 0.337 1.00 3.00 H new ATOM 0 H2 MET A 1 1.190 -1.232 0.529 1.00 3.00 H new ATOM 0 H3 MET A 1 2.081 0.111 1.061 1.00 3.00 H new ATOM 0 HA MET A 1 1.428 -0.651 -1.703 1.00 33.24 H new ATOM 0 HB2 MET A 1 3.102 1.419 -2.023 1.00 43.54 H new ATOM 0 HB3 MET A 1 1.361 1.615 -1.987 1.00 43.54 H new ATOM 0 HG2 MET A 1 2.424 3.294 -0.578 1.00 74.41 H new ATOM 0 HG3 MET A 1 1.451 2.214 0.401 1.00 74.41 H new ATOM 0 HE1 MET A 1 5.615 0.980 -0.406 1.00 60.11 H new ATOM 0 HE2 MET A 1 4.669 2.123 -1.389 1.00 60.11 H new ATOM 0 HE3 MET A 1 5.804 2.732 -0.160 1.00 60.11 H new ATOM 18 N THR A 2 4.023 -0.969 -2.152 1.00 35.42 N ATOM 19 CA THR A 2 5.326 -1.609 -2.282 1.00 34.15 C ATOM 20 C THR A 2 6.422 -0.578 -2.523 1.00 64.40 C ATOM 21 O THR A 2 6.286 0.300 -3.375 1.00 41.53 O ATOM 22 CB THR A 2 5.337 -2.633 -3.432 1.00 53.03 C ATOM 23 OG1 THR A 2 4.013 -3.132 -3.657 1.00 43.41 O ATOM 24 CG2 THR A 2 6.273 -3.790 -3.118 1.00 44.23 C ATOM 0 H THR A 2 3.623 -0.645 -3.032 1.00 35.42 H new ATOM 0 HA THR A 2 5.519 -2.128 -1.343 1.00 34.15 H new ATOM 0 HB THR A 2 5.694 -2.131 -4.332 1.00 53.03 H new ATOM 0 HG1 THR A 2 3.594 -2.630 -4.387 1.00 43.41 H new ATOM 0 HG21 THR A 2 6.264 -4.500 -3.945 1.00 44.23 H new ATOM 0 HG22 THR A 2 7.285 -3.411 -2.976 1.00 44.23 H new ATOM 0 HG23 THR A 2 5.942 -4.289 -2.207 1.00 44.23 H new ATOM 32 N LEU A 3 7.510 -0.691 -1.769 1.00 22.41 N ATOM 33 CA LEU A 3 8.632 0.231 -1.902 1.00 4.23 C ATOM 34 C LEU A 3 9.883 -0.498 -2.383 1.00 54.14 C ATOM 35 O LEU A 3 10.259 -1.534 -1.835 1.00 31.42 O ATOM 36 CB LEU A 3 8.913 0.920 -0.565 1.00 20.20 C ATOM 37 CG LEU A 3 8.985 2.447 -0.599 1.00 23.23 C ATOM 38 CD1 LEU A 3 8.031 3.003 -1.644 1.00 13.45 C ATOM 39 CD2 LEU A 3 8.674 3.026 0.774 1.00 74.14 C ATOM 0 H LEU A 3 7.639 -1.412 -1.059 1.00 22.41 H new ATOM 0 HA LEU A 3 8.365 0.984 -2.643 1.00 4.23 H new ATOM 0 HB2 LEU A 3 8.136 0.629 0.142 1.00 20.20 H new ATOM 0 HB3 LEU A 3 9.857 0.540 -0.175 1.00 20.20 H new ATOM 0 HG LEU A 3 9.999 2.738 -0.872 1.00 23.23 H new ATOM 0 HD11 LEU A 3 8.096 4.091 -1.654 1.00 13.45 H new ATOM 0 HD12 LEU A 3 8.301 2.615 -2.626 1.00 13.45 H new ATOM 0 HD13 LEU A 3 7.011 2.703 -1.402 1.00 13.45 H new ATOM 0 HD21 LEU A 3 8.730 4.114 0.731 1.00 74.14 H new ATOM 0 HD22 LEU A 3 7.671 2.726 1.077 1.00 74.14 H new ATOM 0 HD23 LEU A 3 9.398 2.654 1.498 1.00 74.14 H new ATOM 51 N CYS A 4 10.523 0.051 -3.410 1.00 13.13 N ATOM 52 CA CYS A 4 11.732 -0.546 -3.965 1.00 22.34 C ATOM 53 C CYS A 4 12.905 0.425 -3.882 1.00 64.14 C ATOM 54 O CYS A 4 12.715 1.639 -3.810 1.00 23.40 O ATOM 55 CB CYS A 4 11.500 -0.963 -5.418 1.00 11.52 C ATOM 56 SG CYS A 4 9.995 -1.931 -5.677 1.00 22.24 S ATOM 0 H CYS A 4 10.224 0.908 -3.875 1.00 13.13 H new ATOM 0 HA CYS A 4 11.974 -1.431 -3.376 1.00 22.34 H new ATOM 0 HB2 CYS A 4 11.455 -0.068 -6.039 1.00 11.52 H new ATOM 0 HB3 CYS A 4 12.356 -1.545 -5.759 1.00 11.52 H new ATOM 0 HG CYS A 4 9.885 -2.234 -6.936 1.00 22.24 H new ATOM 62 N ALA A 5 14.118 -0.118 -3.892 1.00 62.34 N ATOM 63 CA ALA A 5 15.322 0.700 -3.819 1.00 63.13 C ATOM 64 C ALA A 5 16.401 0.175 -4.761 1.00 30.44 C ATOM 65 O ALA A 5 16.561 -1.035 -4.922 1.00 44.33 O ATOM 66 CB ALA A 5 15.843 0.746 -2.390 1.00 51.44 C ATOM 0 H ALA A 5 14.293 -1.121 -3.950 1.00 62.34 H new ATOM 0 HA ALA A 5 15.064 1.711 -4.133 1.00 63.13 H new ATOM 0 HB1 ALA A 5 16.742 1.360 -2.350 1.00 51.44 H new ATOM 0 HB2 ALA A 5 15.081 1.175 -1.739 1.00 51.44 H new ATOM 0 HB3 ALA A 5 16.079 -0.264 -2.056 1.00 51.44 H new ATOM 72 N MET A 6 17.137 1.092 -5.380 1.00 24.45 N ATOM 73 CA MET A 6 18.201 0.720 -6.305 1.00 25.53 C ATOM 74 C MET A 6 19.567 1.114 -5.750 1.00 74.21 C ATOM 75 O MET A 6 19.816 2.285 -5.463 1.00 61.03 O ATOM 76 CB MET A 6 17.979 1.384 -7.665 1.00 23.22 C ATOM 77 CG MET A 6 17.106 0.568 -8.604 1.00 51.02 C ATOM 78 SD MET A 6 16.113 1.599 -9.701 1.00 4.21 S ATOM 79 CE MET A 6 17.243 1.818 -11.074 1.00 11.34 C ATOM 0 H MET A 6 17.016 2.097 -5.258 1.00 24.45 H new ATOM 0 HA MET A 6 18.178 -0.363 -6.429 1.00 25.53 H new ATOM 0 HB2 MET A 6 17.520 2.361 -7.513 1.00 23.22 H new ATOM 0 HB3 MET A 6 18.946 1.556 -8.138 1.00 23.22 H new ATOM 0 HG2 MET A 6 17.738 -0.089 -9.202 1.00 51.02 H new ATOM 0 HG3 MET A 6 16.447 -0.071 -8.017 1.00 51.02 H new ATOM 0 HE1 MET A 6 16.772 2.436 -11.838 1.00 11.34 H new ATOM 0 HE2 MET A 6 18.152 2.305 -10.723 1.00 11.34 H new ATOM 0 HE3 MET A 6 17.493 0.846 -11.498 1.00 11.34 H new ATOM 89 N TYR A 7 20.446 0.130 -5.601 1.00 63.22 N ATOM 90 CA TYR A 7 21.785 0.374 -5.078 1.00 42.12 C ATOM 91 C TYR A 7 22.849 -0.050 -6.086 1.00 5.41 C ATOM 92 O TYR A 7 22.705 -1.063 -6.768 1.00 43.13 O ATOM 93 CB TYR A 7 21.986 -0.377 -3.761 1.00 60.41 C ATOM 94 CG TYR A 7 22.357 -1.832 -3.944 1.00 41.33 C ATOM 95 CD1 TYR A 7 21.377 -2.808 -4.075 1.00 52.34 C ATOM 96 CD2 TYR A 7 23.687 -2.230 -3.985 1.00 45.12 C ATOM 97 CE1 TYR A 7 21.711 -4.138 -4.242 1.00 51.22 C ATOM 98 CE2 TYR A 7 24.031 -3.557 -4.153 1.00 71.41 C ATOM 99 CZ TYR A 7 23.039 -4.507 -4.281 1.00 22.50 C ATOM 100 OH TYR A 7 23.377 -5.831 -4.447 1.00 22.10 O ATOM 0 H TYR A 7 20.256 -0.844 -5.835 1.00 63.22 H new ATOM 0 HA TYR A 7 21.887 1.444 -4.897 1.00 42.12 H new ATOM 0 HB2 TYR A 7 22.767 0.119 -3.185 1.00 60.41 H new ATOM 0 HB3 TYR A 7 21.070 -0.315 -3.174 1.00 60.41 H new ATOM 0 HD1 TYR A 7 20.336 -2.522 -4.046 1.00 52.34 H new ATOM 0 HD2 TYR A 7 24.466 -1.489 -3.884 1.00 45.12 H new ATOM 0 HE1 TYR A 7 20.937 -4.884 -4.341 1.00 51.22 H new ATOM 0 HE2 TYR A 7 25.070 -3.849 -4.184 1.00 71.41 H new ATOM 0 HH TYR A 7 24.036 -5.912 -5.167 1.00 22.10 H new ATOM 110 N ASN A 8 23.919 0.735 -6.172 1.00 60.30 N ATOM 111 CA ASN A 8 25.009 0.442 -7.096 1.00 30.03 C ATOM 112 C ASN A 8 26.319 0.235 -6.343 1.00 25.35 C ATOM 113 O ASN A 8 26.635 0.975 -5.410 1.00 72.41 O ATOM 114 CB ASN A 8 25.165 1.577 -8.110 1.00 14.12 C ATOM 115 CG ASN A 8 23.849 2.271 -8.407 1.00 5.32 C ATOM 116 OD1 ASN A 8 22.797 1.635 -8.459 1.00 51.03 O ATOM 117 ND2 ASN A 8 23.904 3.584 -8.603 1.00 64.51 N ATOM 0 H ASN A 8 24.054 1.578 -5.614 1.00 60.30 H new ATOM 0 HA ASN A 8 24.765 -0.479 -7.626 1.00 30.03 H new ATOM 0 HB2 ASN A 8 25.879 2.306 -7.728 1.00 14.12 H new ATOM 0 HB3 ASN A 8 25.580 1.179 -9.036 1.00 14.12 H new ATOM 0 HD21 ASN A 8 23.051 4.105 -8.806 1.00 64.51 H new ATOM 0 HD22 ASN A 8 24.799 4.070 -8.550 1.00 64.51 H new ATOM 124 N ILE A 9 27.079 -0.775 -6.754 1.00 35.32 N ATOM 125 CA ILE A 9 28.355 -1.079 -6.119 1.00 42.53 C ATOM 126 C ILE A 9 29.514 -0.876 -7.090 1.00 55.03 C ATOM 127 O ILE A 9 29.489 -1.376 -8.215 1.00 22.54 O ATOM 128 CB ILE A 9 28.391 -2.524 -5.589 1.00 62.13 C ATOM 129 CG1 ILE A 9 27.768 -3.480 -6.609 1.00 10.13 C ATOM 130 CG2 ILE A 9 27.666 -2.617 -4.255 1.00 71.32 C ATOM 131 CD1 ILE A 9 26.270 -3.629 -6.460 1.00 50.42 C ATOM 0 H ILE A 9 26.833 -1.397 -7.524 1.00 35.32 H new ATOM 0 HA ILE A 9 28.462 -0.391 -5.280 1.00 42.53 H new ATOM 0 HB ILE A 9 29.431 -2.814 -5.436 1.00 62.13 H new ATOM 0 HG12 ILE A 9 27.991 -3.122 -7.614 1.00 10.13 H new ATOM 0 HG13 ILE A 9 28.234 -4.460 -6.509 1.00 10.13 H new ATOM 0 HG21 ILE A 9 27.700 -3.645 -3.893 1.00 71.32 H new ATOM 0 HG22 ILE A 9 28.150 -1.961 -3.531 1.00 71.32 H new ATOM 0 HG23 ILE A 9 26.627 -2.312 -4.383 1.00 71.32 H new ATOM 0 HD11 ILE A 9 25.896 -4.321 -7.215 1.00 50.42 H new ATOM 0 HD12 ILE A 9 26.040 -4.016 -5.467 1.00 50.42 H new ATOM 0 HD13 ILE A 9 25.793 -2.658 -6.590 1.00 50.42 H new ATOM 143 N SER A 10 30.528 -0.140 -6.647 1.00 70.15 N ATOM 144 CA SER A 10 31.696 0.131 -7.478 1.00 33.41 C ATOM 145 C SER A 10 32.931 -0.571 -6.923 1.00 64.40 C ATOM 146 O SER A 10 33.299 -0.381 -5.764 1.00 52.21 O ATOM 147 CB SER A 10 31.947 1.637 -7.566 1.00 3.14 C ATOM 148 OG SER A 10 32.535 1.985 -8.808 1.00 35.44 O ATOM 0 H SER A 10 30.565 0.279 -5.718 1.00 70.15 H new ATOM 0 HA SER A 10 31.498 -0.256 -8.478 1.00 33.41 H new ATOM 0 HB2 SER A 10 31.006 2.173 -7.443 1.00 3.14 H new ATOM 0 HB3 SER A 10 32.600 1.948 -6.751 1.00 3.14 H new ATOM 0 HG SER A 10 33.508 2.042 -8.705 1.00 35.44 H new ATOM 154 N MET A 11 33.568 -1.384 -7.760 1.00 21.32 N ATOM 155 CA MET A 11 34.763 -2.114 -7.354 1.00 64.40 C ATOM 156 C MET A 11 36.023 -1.313 -7.669 1.00 32.35 C ATOM 157 O MET A 11 37.136 -1.750 -7.377 1.00 50.43 O ATOM 158 CB MET A 11 34.820 -3.473 -8.056 1.00 43.40 C ATOM 159 CG MET A 11 34.986 -3.371 -9.564 1.00 2.14 C ATOM 160 SD MET A 11 33.427 -3.567 -10.449 1.00 5.54 S ATOM 161 CE MET A 11 33.805 -2.733 -11.988 1.00 64.13 C ATOM 0 H MET A 11 33.277 -1.553 -8.723 1.00 21.32 H new ATOM 0 HA MET A 11 34.713 -2.271 -6.277 1.00 64.40 H new ATOM 0 HB2 MET A 11 35.648 -4.050 -7.646 1.00 43.40 H new ATOM 0 HB3 MET A 11 33.906 -4.025 -7.836 1.00 43.40 H new ATOM 0 HG2 MET A 11 35.422 -2.403 -9.813 1.00 2.14 H new ATOM 0 HG3 MET A 11 35.689 -4.133 -9.901 1.00 2.14 H new ATOM 0 HE1 MET A 11 32.936 -2.769 -12.645 1.00 64.13 H new ATOM 0 HE2 MET A 11 34.063 -1.694 -11.785 1.00 64.13 H new ATOM 0 HE3 MET A 11 34.647 -3.228 -12.473 1.00 64.13 H new ATOM 171 N ALA A 12 35.839 -0.140 -8.265 1.00 12.12 N ATOM 172 CA ALA A 12 36.960 0.722 -8.617 1.00 1.31 C ATOM 173 C ALA A 12 36.479 1.996 -9.303 1.00 12.45 C ATOM 174 O ALA A 12 35.294 2.324 -9.263 1.00 52.52 O ATOM 175 CB ALA A 12 37.939 -0.024 -9.512 1.00 14.31 C ATOM 0 H ALA A 12 34.924 0.235 -8.514 1.00 12.12 H new ATOM 0 HA ALA A 12 37.470 1.006 -7.697 1.00 1.31 H new ATOM 0 HB1 ALA A 12 38.771 0.632 -9.767 1.00 14.31 H new ATOM 0 HB2 ALA A 12 38.316 -0.901 -8.987 1.00 14.31 H new ATOM 0 HB3 ALA A 12 37.432 -0.338 -10.424 1.00 14.31 H new ATOM 181 N GLY A 13 37.407 2.712 -9.931 1.00 10.15 N ATOM 182 CA GLY A 13 37.057 3.943 -10.615 1.00 44.02 C ATOM 183 C GLY A 13 36.547 3.699 -12.022 1.00 2.44 C ATOM 184 O GLY A 13 36.918 4.410 -12.956 1.00 2.34 O ATOM 0 H GLY A 13 38.395 2.461 -9.978 1.00 10.15 H new ATOM 0 HA2 GLY A 13 36.294 4.470 -10.041 1.00 44.02 H new ATOM 0 HA3 GLY A 13 37.931 4.593 -10.656 1.00 44.02 H new ATOM 188 N SER A 14 35.695 2.691 -12.174 1.00 22.40 N ATOM 189 CA SER A 14 35.138 2.351 -13.478 1.00 14.30 C ATOM 190 C SER A 14 33.631 2.132 -13.384 1.00 32.40 C ATOM 191 O SER A 14 33.096 1.872 -12.306 1.00 34.23 O ATOM 192 CB SER A 14 35.814 1.097 -14.035 1.00 34.25 C ATOM 193 OG SER A 14 37.210 1.290 -14.175 1.00 64.11 O ATOM 0 H SER A 14 35.375 2.095 -11.410 1.00 22.40 H new ATOM 0 HA SER A 14 35.325 3.185 -14.154 1.00 14.30 H new ATOM 0 HB2 SER A 14 35.625 0.253 -13.371 1.00 34.25 H new ATOM 0 HB3 SER A 14 35.380 0.845 -15.003 1.00 34.25 H new ATOM 0 HG SER A 14 37.619 0.474 -14.531 1.00 64.11 H new ATOM 199 N HIS A 15 32.951 2.238 -14.522 1.00 25.04 N ATOM 200 CA HIS A 15 31.506 2.051 -14.569 1.00 73.51 C ATOM 201 C HIS A 15 31.062 0.993 -13.563 1.00 73.23 C ATOM 202 O HIS A 15 31.265 -0.206 -13.756 1.00 23.11 O ATOM 203 CB HIS A 15 31.069 1.647 -15.978 1.00 14.14 C ATOM 204 CG HIS A 15 30.915 2.807 -16.913 1.00 4.14 C ATOM 205 ND1 HIS A 15 29.858 3.690 -16.850 1.00 72.40 N ATOM 206 CD2 HIS A 15 31.695 3.228 -17.936 1.00 11.31 C ATOM 207 CE1 HIS A 15 29.992 4.602 -17.795 1.00 44.45 C ATOM 208 NE2 HIS A 15 31.100 4.345 -18.468 1.00 55.33 N ATOM 0 H HIS A 15 33.378 2.452 -15.423 1.00 25.04 H new ATOM 0 HA HIS A 15 31.033 2.997 -14.307 1.00 73.51 H new ATOM 0 HB2 HIS A 15 31.800 0.952 -16.391 1.00 14.14 H new ATOM 0 HB3 HIS A 15 30.121 1.112 -15.916 1.00 14.14 H new ATOM 0 HD2 HIS A 15 32.614 2.770 -18.271 1.00 11.31 H new ATOM 0 HE1 HIS A 15 29.312 5.419 -17.986 1.00 44.45 H new ATOM 0 HE2 HIS A 15 31.455 4.888 -19.255 1.00 55.33 H new ATOM 216 N PRO A 16 30.441 1.445 -12.463 1.00 70.35 N ATOM 217 CA PRO A 16 29.956 0.553 -11.406 1.00 13.43 C ATOM 218 C PRO A 16 28.762 -0.283 -11.855 1.00 3.15 C ATOM 219 O PRO A 16 28.343 -0.216 -13.011 1.00 21.24 O ATOM 220 CB PRO A 16 29.544 1.518 -10.291 1.00 33.24 C ATOM 221 CG PRO A 16 29.232 2.795 -10.991 1.00 12.33 C ATOM 222 CD PRO A 16 30.165 2.861 -12.168 1.00 74.42 C ATOM 0 HA PRO A 16 30.712 -0.172 -11.105 1.00 13.43 H new ATOM 0 HB2 PRO A 16 28.678 1.145 -9.744 1.00 33.24 H new ATOM 0 HB3 PRO A 16 30.347 1.650 -9.565 1.00 33.24 H new ATOM 0 HG2 PRO A 16 28.192 2.818 -11.316 1.00 12.33 H new ATOM 0 HG3 PRO A 16 29.378 3.649 -10.329 1.00 12.33 H new ATOM 0 HD2 PRO A 16 29.705 3.366 -13.017 1.00 74.42 H new ATOM 0 HD3 PRO A 16 31.077 3.407 -11.928 1.00 74.42 H new ATOM 230 N THR A 17 28.217 -1.071 -10.933 1.00 4.02 N ATOM 231 CA THR A 17 27.072 -1.921 -11.234 1.00 5.01 C ATOM 232 C THR A 17 25.848 -1.499 -10.430 1.00 71.10 C ATOM 233 O THR A 17 25.918 -1.336 -9.211 1.00 74.23 O ATOM 234 CB THR A 17 27.380 -3.402 -10.941 1.00 14.31 C ATOM 235 OG1 THR A 17 28.485 -3.840 -11.739 1.00 74.02 O ATOM 236 CG2 THR A 17 26.165 -4.273 -11.225 1.00 2.30 C ATOM 0 H THR A 17 28.551 -1.138 -9.971 1.00 4.02 H new ATOM 0 HA THR A 17 26.862 -1.805 -12.297 1.00 5.01 H new ATOM 0 HB THR A 17 27.636 -3.496 -9.886 1.00 14.31 H new ATOM 0 HG1 THR A 17 28.675 -4.782 -11.545 1.00 74.02 H new ATOM 0 HG21 THR A 17 26.406 -5.314 -11.011 1.00 2.30 H new ATOM 0 HG22 THR A 17 25.334 -3.956 -10.594 1.00 2.30 H new ATOM 0 HG23 THR A 17 25.883 -4.174 -12.273 1.00 2.30 H new ATOM 244 N THR A 18 24.725 -1.324 -11.119 1.00 53.33 N ATOM 245 CA THR A 18 23.484 -0.920 -10.469 1.00 62.24 C ATOM 246 C THR A 18 22.510 -2.088 -10.371 1.00 72.40 C ATOM 247 O THR A 18 22.421 -2.913 -11.281 1.00 52.24 O ATOM 248 CB THR A 18 22.805 0.238 -11.225 1.00 20.32 C ATOM 249 OG1 THR A 18 23.593 1.428 -11.108 1.00 31.31 O ATOM 250 CG2 THR A 18 21.408 0.493 -10.680 1.00 53.15 C ATOM 0 H THR A 18 24.649 -1.456 -12.128 1.00 53.33 H new ATOM 0 HA THR A 18 23.747 -0.584 -9.466 1.00 62.24 H new ATOM 0 HB THR A 18 22.723 -0.041 -12.276 1.00 20.32 H new ATOM 0 HG1 THR A 18 23.156 2.159 -11.592 1.00 31.31 H new ATOM 0 HG21 THR A 18 20.948 1.315 -11.229 1.00 53.15 H new ATOM 0 HG22 THR A 18 20.802 -0.406 -10.797 1.00 53.15 H new ATOM 0 HG23 THR A 18 21.472 0.753 -9.623 1.00 53.15 H new ATOM 258 N ILE A 19 21.781 -2.153 -9.262 1.00 51.00 N ATOM 259 CA ILE A 19 20.811 -3.220 -9.047 1.00 5.03 C ATOM 260 C ILE A 19 19.534 -2.682 -8.410 1.00 64.21 C ATOM 261 O ILE A 19 19.575 -1.758 -7.597 1.00 45.01 O ATOM 262 CB ILE A 19 21.389 -4.333 -8.152 1.00 14.32 C ATOM 263 CG1 ILE A 19 21.711 -5.573 -8.987 1.00 64.13 C ATOM 264 CG2 ILE A 19 20.411 -4.677 -7.038 1.00 71.22 C ATOM 265 CD1 ILE A 19 22.051 -6.790 -8.156 1.00 32.33 C ATOM 0 H ILE A 19 21.844 -1.480 -8.498 1.00 51.00 H new ATOM 0 HA ILE A 19 20.577 -3.637 -10.027 1.00 5.03 H new ATOM 0 HB ILE A 19 22.313 -3.973 -7.700 1.00 14.32 H new ATOM 0 HG12 ILE A 19 20.857 -5.805 -9.623 1.00 64.13 H new ATOM 0 HG13 ILE A 19 22.549 -5.349 -9.648 1.00 64.13 H new ATOM 0 HG21 ILE A 19 20.833 -5.465 -6.414 1.00 71.22 H new ATOM 0 HG22 ILE A 19 20.226 -3.792 -6.430 1.00 71.22 H new ATOM 0 HG23 ILE A 19 19.472 -5.021 -7.472 1.00 71.22 H new ATOM 0 HD11 ILE A 19 22.268 -7.631 -8.814 1.00 32.33 H new ATOM 0 HD12 ILE A 19 22.924 -6.577 -7.539 1.00 32.33 H new ATOM 0 HD13 ILE A 19 21.206 -7.040 -7.514 1.00 32.33 H new ATOM 277 N CYS A 20 18.402 -3.268 -8.784 1.00 1.43 N ATOM 278 CA CYS A 20 17.112 -2.848 -8.248 1.00 73.14 C ATOM 279 C CYS A 20 16.451 -3.982 -7.471 1.00 50.20 C ATOM 280 O CYS A 20 16.156 -5.040 -8.027 1.00 15.04 O ATOM 281 CB CYS A 20 16.193 -2.386 -9.380 1.00 75.11 C ATOM 282 SG CYS A 20 15.897 -3.639 -10.649 1.00 62.45 S ATOM 0 H CYS A 20 18.351 -4.034 -9.455 1.00 1.43 H new ATOM 0 HA CYS A 20 17.283 -2.016 -7.565 1.00 73.14 H new ATOM 0 HB2 CYS A 20 15.236 -2.081 -8.955 1.00 75.11 H new ATOM 0 HB3 CYS A 20 16.628 -1.504 -9.850 1.00 75.11 H new ATOM 0 HG CYS A 20 15.897 -4.819 -10.102 1.00 62.45 H new ATOM 288 N VAL A 21 16.223 -3.754 -6.181 1.00 41.14 N ATOM 289 CA VAL A 21 15.598 -4.756 -5.327 1.00 31.22 C ATOM 290 C VAL A 21 14.637 -4.110 -4.335 1.00 73.51 C ATOM 291 O VAL A 21 14.878 -3.005 -3.850 1.00 51.12 O ATOM 292 CB VAL A 21 16.652 -5.567 -4.550 1.00 33.34 C ATOM 293 CG1 VAL A 21 17.413 -6.491 -5.488 1.00 21.32 C ATOM 294 CG2 VAL A 21 17.605 -4.636 -3.815 1.00 72.43 C ATOM 0 H VAL A 21 16.462 -2.884 -5.705 1.00 41.14 H new ATOM 0 HA VAL A 21 15.043 -5.428 -5.981 1.00 31.22 H new ATOM 0 HB VAL A 21 16.139 -6.182 -3.810 1.00 33.34 H new ATOM 0 HG11 VAL A 21 18.153 -7.056 -4.921 1.00 21.32 H new ATOM 0 HG12 VAL A 21 16.716 -7.181 -5.963 1.00 21.32 H new ATOM 0 HG13 VAL A 21 17.916 -5.899 -6.253 1.00 21.32 H new ATOM 0 HG21 VAL A 21 18.343 -5.226 -3.271 1.00 72.43 H new ATOM 0 HG22 VAL A 21 18.113 -3.993 -4.534 1.00 72.43 H new ATOM 0 HG23 VAL A 21 17.043 -4.021 -3.112 1.00 72.43 H new ATOM 304 N VAL A 22 13.545 -4.808 -4.037 1.00 25.51 N ATOM 305 CA VAL A 22 12.547 -4.304 -3.101 1.00 64.32 C ATOM 306 C VAL A 22 13.094 -4.274 -1.678 1.00 70.03 C ATOM 307 O VAL A 22 14.020 -5.012 -1.343 1.00 10.34 O ATOM 308 CB VAL A 22 11.268 -5.161 -3.130 1.00 31.22 C ATOM 309 CG1 VAL A 22 10.603 -5.083 -4.496 1.00 24.52 C ATOM 310 CG2 VAL A 22 11.585 -6.603 -2.763 1.00 75.20 C ATOM 0 H VAL A 22 13.329 -5.724 -4.430 1.00 25.51 H new ATOM 0 HA VAL A 22 12.303 -3.289 -3.414 1.00 64.32 H new ATOM 0 HB VAL A 22 10.571 -4.767 -2.391 1.00 31.22 H new ATOM 0 HG11 VAL A 22 9.701 -5.695 -4.497 1.00 24.52 H new ATOM 0 HG12 VAL A 22 10.340 -4.048 -4.714 1.00 24.52 H new ATOM 0 HG13 VAL A 22 11.291 -5.450 -5.257 1.00 24.52 H new ATOM 0 HG21 VAL A 22 10.670 -7.195 -2.788 1.00 75.20 H new ATOM 0 HG22 VAL A 22 12.301 -7.011 -3.477 1.00 75.20 H new ATOM 0 HG23 VAL A 22 12.012 -6.638 -1.761 1.00 75.20 H new ATOM 320 N MET A 23 12.514 -3.416 -0.846 1.00 12.13 N ATOM 321 CA MET A 23 12.942 -3.291 0.543 1.00 40.33 C ATOM 322 C MET A 23 12.921 -4.646 1.242 1.00 23.04 C ATOM 323 O MET A 23 13.825 -4.971 2.012 1.00 22.53 O ATOM 324 CB MET A 23 12.042 -2.304 1.289 1.00 31.45 C ATOM 325 CG MET A 23 12.362 -2.191 2.771 1.00 21.21 C ATOM 326 SD MET A 23 10.969 -2.651 3.820 1.00 42.52 S ATOM 327 CE MET A 23 11.532 -4.226 4.460 1.00 3.30 C ATOM 0 H MET A 23 11.747 -2.797 -1.109 1.00 12.13 H new ATOM 0 HA MET A 23 13.965 -2.915 0.550 1.00 40.33 H new ATOM 0 HB2 MET A 23 12.136 -1.320 0.829 1.00 31.45 H new ATOM 0 HB3 MET A 23 11.003 -2.612 1.172 1.00 31.45 H new ATOM 0 HG2 MET A 23 13.214 -2.830 3.004 1.00 21.21 H new ATOM 0 HG3 MET A 23 12.660 -1.167 2.997 1.00 21.21 H new ATOM 0 HE1 MET A 23 10.901 -5.024 4.069 1.00 3.30 H new ATOM 0 HE2 MET A 23 12.564 -4.395 4.153 1.00 3.30 H new ATOM 0 HE3 MET A 23 11.474 -4.218 5.548 1.00 3.30 H new ATOM 337 N ASP A 24 11.885 -5.431 0.970 1.00 22.51 N ATOM 338 CA ASP A 24 11.748 -6.752 1.573 1.00 34.11 C ATOM 339 C ASP A 24 12.936 -7.639 1.216 1.00 5.13 C ATOM 340 O ASP A 24 13.415 -8.414 2.044 1.00 65.31 O ATOM 341 CB ASP A 24 10.447 -7.413 1.114 1.00 13.21 C ATOM 342 CG ASP A 24 10.325 -8.846 1.594 1.00 54.24 C ATOM 343 OD1 ASP A 24 10.623 -9.103 2.779 1.00 40.30 O ATOM 344 OD2 ASP A 24 9.930 -9.710 0.784 1.00 72.32 O ATOM 0 H ASP A 24 11.128 -5.176 0.336 1.00 22.51 H new ATOM 0 HA ASP A 24 11.722 -6.629 2.656 1.00 34.11 H new ATOM 0 HB2 ASP A 24 9.600 -6.836 1.484 1.00 13.21 H new ATOM 0 HB3 ASP A 24 10.397 -7.392 0.025 1.00 13.21 H new ATOM 349 N ARG A 25 13.407 -7.520 -0.021 1.00 11.31 N ATOM 350 CA ARG A 25 14.538 -8.312 -0.488 1.00 21.11 C ATOM 351 C ARG A 25 15.839 -7.524 -0.371 1.00 43.43 C ATOM 352 O ARG A 25 16.929 -8.080 -0.510 1.00 11.34 O ATOM 353 CB ARG A 25 14.320 -8.746 -1.939 1.00 2.43 C ATOM 354 CG ARG A 25 13.036 -9.529 -2.154 1.00 32.32 C ATOM 355 CD ARG A 25 13.282 -11.029 -2.099 1.00 44.25 C ATOM 356 NE ARG A 25 13.647 -11.571 -3.406 1.00 32.24 N ATOM 357 CZ ARG A 25 14.127 -12.797 -3.584 1.00 40.24 C ATOM 358 NH1 ARG A 25 14.299 -13.603 -2.546 1.00 3.11 N ATOM 359 NH2 ARG A 25 14.436 -13.218 -4.804 1.00 75.41 N ATOM 0 H ARG A 25 13.022 -6.882 -0.718 1.00 11.31 H new ATOM 0 HA ARG A 25 14.613 -9.199 0.142 1.00 21.11 H new ATOM 0 HB2 ARG A 25 14.307 -7.861 -2.576 1.00 2.43 H new ATOM 0 HB3 ARG A 25 15.165 -9.356 -2.258 1.00 2.43 H new ATOM 0 HG2 ARG A 25 12.307 -9.251 -1.393 1.00 32.32 H new ATOM 0 HG3 ARG A 25 12.605 -9.265 -3.120 1.00 32.32 H new ATOM 0 HD2 ARG A 25 14.077 -11.240 -1.384 1.00 44.25 H new ATOM 0 HD3 ARG A 25 12.385 -11.531 -1.736 1.00 44.25 H new ATOM 0 HE ARG A 25 13.527 -10.976 -4.226 1.00 32.24 H new ATOM 0 HH11 ARG A 25 14.063 -13.283 -1.607 1.00 3.11 H new ATOM 0 HH12 ARG A 25 14.668 -14.544 -2.686 1.00 3.11 H new ATOM 0 HH21 ARG A 25 14.305 -12.600 -5.605 1.00 75.41 H new ATOM 0 HH22 ARG A 25 14.805 -14.159 -4.941 1.00 75.41 H new ATOM 373 N PHE A 26 15.717 -6.225 -0.117 1.00 24.04 N ATOM 374 CA PHE A 26 16.883 -5.359 0.017 1.00 23.40 C ATOM 375 C PHE A 26 17.736 -5.776 1.212 1.00 14.22 C ATOM 376 O PHE A 26 18.962 -5.844 1.121 1.00 2.32 O ATOM 377 CB PHE A 26 16.447 -3.901 0.171 1.00 41.13 C ATOM 378 CG PHE A 26 17.595 -2.932 0.205 1.00 73.55 C ATOM 379 CD1 PHE A 26 18.635 -3.038 -0.705 1.00 32.41 C ATOM 380 CD2 PHE A 26 17.633 -1.916 1.145 1.00 2.12 C ATOM 381 CE1 PHE A 26 19.692 -2.149 -0.675 1.00 42.04 C ATOM 382 CE2 PHE A 26 18.688 -1.023 1.179 1.00 30.23 C ATOM 383 CZ PHE A 26 19.718 -1.139 0.267 1.00 63.50 C ATOM 0 H PHE A 26 14.823 -5.749 0.000 1.00 24.04 H new ATOM 0 HA PHE A 26 17.483 -5.458 -0.887 1.00 23.40 H new ATOM 0 HB2 PHE A 26 15.785 -3.639 -0.654 1.00 41.13 H new ATOM 0 HB3 PHE A 26 15.868 -3.798 1.089 1.00 41.13 H new ATOM 0 HD1 PHE A 26 18.619 -3.824 -1.445 1.00 32.41 H new ATOM 0 HD2 PHE A 26 16.829 -1.820 1.860 1.00 2.12 H new ATOM 0 HE1 PHE A 26 20.498 -2.244 -1.388 1.00 42.04 H new ATOM 0 HE2 PHE A 26 18.706 -0.236 1.918 1.00 30.23 H new ATOM 0 HZ PHE A 26 20.542 -0.442 0.290 1.00 63.50 H new ATOM 393 N LEU A 27 17.078 -6.053 2.332 1.00 34.14 N ATOM 394 CA LEU A 27 17.774 -6.463 3.547 1.00 13.43 C ATOM 395 C LEU A 27 18.619 -7.707 3.297 1.00 31.53 C ATOM 396 O LEU A 27 19.798 -7.748 3.646 1.00 21.42 O ATOM 397 CB LEU A 27 16.768 -6.731 4.669 1.00 64.45 C ATOM 398 CG LEU A 27 15.608 -7.665 4.321 1.00 45.15 C ATOM 399 CD1 LEU A 27 15.878 -9.068 4.841 1.00 61.20 C ATOM 400 CD2 LEU A 27 14.302 -7.126 4.886 1.00 63.33 C ATOM 0 H LEU A 27 16.064 -6.001 2.424 1.00 34.14 H new ATOM 0 HA LEU A 27 18.437 -5.652 3.848 1.00 13.43 H new ATOM 0 HB2 LEU A 27 17.305 -7.152 5.519 1.00 64.45 H new ATOM 0 HB3 LEU A 27 16.355 -5.777 4.995 1.00 64.45 H new ATOM 0 HG LEU A 27 15.518 -7.714 3.236 1.00 45.15 H new ATOM 0 HD11 LEU A 27 15.042 -9.718 4.584 1.00 61.20 H new ATOM 0 HD12 LEU A 27 16.791 -9.454 4.388 1.00 61.20 H new ATOM 0 HD13 LEU A 27 15.995 -9.038 5.924 1.00 61.20 H new ATOM 0 HD21 LEU A 27 13.487 -7.803 4.629 1.00 63.33 H new ATOM 0 HD22 LEU A 27 14.380 -7.047 5.970 1.00 63.33 H new ATOM 0 HD23 LEU A 27 14.102 -6.141 4.464 1.00 63.33 H new ATOM 412 N GLU A 28 18.008 -8.719 2.689 1.00 34.20 N ATOM 413 CA GLU A 28 18.705 -9.965 2.391 1.00 3.43 C ATOM 414 C GLU A 28 19.750 -9.755 1.299 1.00 22.00 C ATOM 415 O GLU A 28 20.888 -10.211 1.418 1.00 54.44 O ATOM 416 CB GLU A 28 17.709 -11.043 1.959 1.00 1.53 C ATOM 417 CG GLU A 28 18.237 -12.458 2.118 1.00 64.31 C ATOM 418 CD GLU A 28 18.701 -12.753 3.531 1.00 20.12 C ATOM 419 OE1 GLU A 28 17.838 -12.994 4.401 1.00 4.02 O ATOM 420 OE2 GLU A 28 19.928 -12.743 3.767 1.00 54.12 O ATOM 0 H GLU A 28 17.032 -8.701 2.393 1.00 34.20 H new ATOM 0 HA GLU A 28 19.213 -10.293 3.298 1.00 3.43 H new ATOM 0 HB2 GLU A 28 16.796 -10.937 2.544 1.00 1.53 H new ATOM 0 HB3 GLU A 28 17.440 -10.880 0.915 1.00 1.53 H new ATOM 0 HG2 GLU A 28 17.456 -13.166 1.841 1.00 64.31 H new ATOM 0 HG3 GLU A 28 19.066 -12.612 1.428 1.00 64.31 H new ATOM 427 N SER A 29 19.355 -9.063 0.235 1.00 1.23 N ATOM 428 CA SER A 29 20.255 -8.796 -0.881 1.00 21.24 C ATOM 429 C SER A 29 21.537 -8.126 -0.396 1.00 40.54 C ATOM 430 O SER A 29 22.639 -8.514 -0.784 1.00 42.33 O ATOM 431 CB SER A 29 19.564 -7.911 -1.920 1.00 64.31 C ATOM 432 OG SER A 29 19.472 -6.571 -1.469 1.00 21.24 O ATOM 0 H SER A 29 18.418 -8.677 0.122 1.00 1.23 H new ATOM 0 HA SER A 29 20.516 -9.749 -1.342 1.00 21.24 H new ATOM 0 HB2 SER A 29 20.119 -7.945 -2.858 1.00 64.31 H new ATOM 0 HB3 SER A 29 18.566 -8.298 -2.126 1.00 64.31 H new ATOM 0 HG SER A 29 19.266 -6.562 -0.511 1.00 21.24 H new ATOM 438 N PHE A 30 21.384 -7.116 0.454 1.00 2.11 N ATOM 439 CA PHE A 30 22.529 -6.389 0.992 1.00 74.24 C ATOM 440 C PHE A 30 23.411 -7.308 1.832 1.00 74.34 C ATOM 441 O PHE A 30 24.636 -7.281 1.722 1.00 44.40 O ATOM 442 CB PHE A 30 22.056 -5.205 1.837 1.00 1.31 C ATOM 443 CG PHE A 30 22.655 -5.174 3.214 1.00 63.10 C ATOM 444 CD1 PHE A 30 23.977 -4.802 3.401 1.00 53.42 C ATOM 445 CD2 PHE A 30 21.897 -5.518 4.322 1.00 62.34 C ATOM 446 CE1 PHE A 30 24.531 -4.772 4.667 1.00 61.04 C ATOM 447 CE2 PHE A 30 22.446 -5.490 5.590 1.00 60.23 C ATOM 448 CZ PHE A 30 23.765 -5.118 5.762 1.00 11.23 C ATOM 0 H PHE A 30 20.479 -6.782 0.785 1.00 2.11 H new ATOM 0 HA PHE A 30 23.118 -6.016 0.154 1.00 74.24 H new ATOM 0 HB2 PHE A 30 22.305 -4.278 1.320 1.00 1.31 H new ATOM 0 HB3 PHE A 30 20.970 -5.241 1.923 1.00 1.31 H new ATOM 0 HD1 PHE A 30 24.581 -4.532 2.547 1.00 53.42 H new ATOM 0 HD2 PHE A 30 20.866 -5.811 4.193 1.00 62.34 H new ATOM 0 HE1 PHE A 30 25.562 -4.478 4.799 1.00 61.04 H new ATOM 0 HE2 PHE A 30 21.844 -5.759 6.446 1.00 60.23 H new ATOM 0 HZ PHE A 30 24.196 -5.098 6.752 1.00 11.23 H new ATOM 458 N SER A 31 22.777 -8.122 2.671 1.00 44.41 N ATOM 459 CA SER A 31 23.504 -9.046 3.533 1.00 34.34 C ATOM 460 C SER A 31 24.436 -9.934 2.715 1.00 70.12 C ATOM 461 O SER A 31 25.600 -10.120 3.067 1.00 43.32 O ATOM 462 CB SER A 31 22.524 -9.912 4.328 1.00 71.00 C ATOM 463 OG SER A 31 23.132 -10.426 5.500 1.00 65.52 O ATOM 0 H SER A 31 21.763 -8.160 2.772 1.00 44.41 H new ATOM 0 HA SER A 31 24.106 -8.459 4.227 1.00 34.34 H new ATOM 0 HB2 SER A 31 21.648 -9.321 4.598 1.00 71.00 H new ATOM 0 HB3 SER A 31 22.174 -10.735 3.705 1.00 71.00 H new ATOM 0 HG SER A 31 22.485 -10.974 5.991 1.00 65.52 H new ATOM 469 N GLU A 32 23.914 -10.480 1.621 1.00 51.02 N ATOM 470 CA GLU A 32 24.699 -11.349 0.752 1.00 22.23 C ATOM 471 C GLU A 32 25.691 -10.538 -0.076 1.00 51.15 C ATOM 472 O GLU A 32 26.848 -10.928 -0.238 1.00 72.35 O ATOM 473 CB GLU A 32 23.779 -12.149 -0.172 1.00 62.13 C ATOM 474 CG GLU A 32 24.434 -13.389 -0.759 1.00 10.53 C ATOM 475 CD GLU A 32 24.463 -14.550 0.216 1.00 3.53 C ATOM 476 OE1 GLU A 32 25.095 -14.410 1.285 1.00 63.44 O ATOM 477 OE2 GLU A 32 23.855 -15.597 -0.088 1.00 42.45 O ATOM 0 H GLU A 32 22.951 -10.336 1.316 1.00 51.02 H new ATOM 0 HA GLU A 32 25.259 -12.040 1.382 1.00 22.23 H new ATOM 0 HB2 GLU A 32 22.890 -12.447 0.384 1.00 62.13 H new ATOM 0 HB3 GLU A 32 23.446 -11.505 -0.986 1.00 62.13 H new ATOM 0 HG2 GLU A 32 23.896 -13.688 -1.659 1.00 10.53 H new ATOM 0 HG3 GLU A 32 25.453 -13.148 -1.062 1.00 10.53 H new ATOM 484 N LEU A 33 25.230 -9.407 -0.600 1.00 33.24 N ATOM 485 CA LEU A 33 26.075 -8.540 -1.413 1.00 10.32 C ATOM 486 C LEU A 33 27.326 -8.125 -0.646 1.00 4.52 C ATOM 487 O LEU A 33 28.419 -8.058 -1.210 1.00 12.23 O ATOM 488 CB LEU A 33 25.295 -7.298 -1.849 1.00 61.32 C ATOM 489 CG LEU A 33 26.083 -6.255 -2.643 1.00 31.42 C ATOM 490 CD1 LEU A 33 26.834 -5.325 -1.703 1.00 62.31 C ATOM 491 CD2 LEU A 33 27.045 -6.934 -3.607 1.00 2.12 C ATOM 0 H LEU A 33 24.276 -9.069 -0.476 1.00 33.24 H new ATOM 0 HA LEU A 33 26.382 -9.098 -2.298 1.00 10.32 H new ATOM 0 HB2 LEU A 33 24.446 -7.620 -2.453 1.00 61.32 H new ATOM 0 HB3 LEU A 33 24.889 -6.817 -0.959 1.00 61.32 H new ATOM 0 HG LEU A 33 25.379 -5.659 -3.224 1.00 31.42 H new ATOM 0 HD11 LEU A 33 27.389 -4.590 -2.285 1.00 62.31 H new ATOM 0 HD12 LEU A 33 26.124 -4.813 -1.054 1.00 62.31 H new ATOM 0 HD13 LEU A 33 27.528 -5.905 -1.095 1.00 62.31 H new ATOM 0 HD21 LEU A 33 27.597 -6.177 -4.164 1.00 2.12 H new ATOM 0 HD22 LEU A 33 27.744 -7.554 -3.047 1.00 2.12 H new ATOM 0 HD23 LEU A 33 26.483 -7.558 -4.302 1.00 2.12 H new ATOM 503 N TYR A 34 27.160 -7.849 0.643 1.00 53.42 N ATOM 504 CA TYR A 34 28.276 -7.440 1.487 1.00 14.24 C ATOM 505 C TYR A 34 29.273 -8.581 1.662 1.00 45.43 C ATOM 506 O TYR A 34 30.478 -8.354 1.782 1.00 34.22 O ATOM 507 CB TYR A 34 27.766 -6.980 2.854 1.00 1.24 C ATOM 508 CG TYR A 34 28.868 -6.729 3.858 1.00 5.14 C ATOM 509 CD1 TYR A 34 29.506 -5.496 3.927 1.00 35.21 C ATOM 510 CD2 TYR A 34 29.272 -7.725 4.739 1.00 2.13 C ATOM 511 CE1 TYR A 34 30.514 -5.263 4.842 1.00 34.13 C ATOM 512 CE2 TYR A 34 30.278 -7.500 5.659 1.00 64.21 C ATOM 513 CZ TYR A 34 30.896 -6.268 5.706 1.00 3.01 C ATOM 514 OH TYR A 34 31.899 -6.039 6.620 1.00 22.33 O ATOM 0 H TYR A 34 26.263 -7.901 1.126 1.00 53.42 H new ATOM 0 HA TYR A 34 28.784 -6.609 0.997 1.00 14.24 H new ATOM 0 HB2 TYR A 34 27.186 -6.066 2.727 1.00 1.24 H new ATOM 0 HB3 TYR A 34 27.088 -7.735 3.252 1.00 1.24 H new ATOM 0 HD1 TYR A 34 29.208 -4.706 3.253 1.00 35.21 H new ATOM 0 HD2 TYR A 34 28.791 -8.692 4.704 1.00 2.13 H new ATOM 0 HE1 TYR A 34 31.000 -4.299 4.881 1.00 34.13 H new ATOM 0 HE2 TYR A 34 30.579 -8.285 6.338 1.00 64.21 H new ATOM 0 HH TYR A 34 32.046 -6.848 7.154 1.00 22.33 H new ATOM 524 N ASP A 35 28.763 -9.807 1.673 1.00 23.14 N ATOM 525 CA ASP A 35 29.608 -10.985 1.831 1.00 63.21 C ATOM 526 C ASP A 35 30.414 -11.249 0.563 1.00 24.30 C ATOM 527 O ASP A 35 31.529 -11.769 0.622 1.00 61.34 O ATOM 528 CB ASP A 35 28.756 -12.208 2.172 1.00 20.53 C ATOM 529 CG ASP A 35 29.140 -12.829 3.501 1.00 10.12 C ATOM 530 OD1 ASP A 35 30.211 -13.467 3.571 1.00 63.30 O ATOM 531 OD2 ASP A 35 28.370 -12.675 4.472 1.00 74.52 O ATOM 0 H ASP A 35 27.769 -10.011 1.574 1.00 23.14 H new ATOM 0 HA ASP A 35 30.303 -10.796 2.649 1.00 63.21 H new ATOM 0 HB2 ASP A 35 27.705 -11.919 2.199 1.00 20.53 H new ATOM 0 HB3 ASP A 35 28.861 -12.952 1.383 1.00 20.53 H new ATOM 536 N ILE A 36 29.843 -10.889 -0.581 1.00 50.31 N ATOM 537 CA ILE A 36 30.509 -11.087 -1.863 1.00 14.24 C ATOM 538 C ILE A 36 31.302 -9.849 -2.267 1.00 61.00 C ATOM 539 O ILE A 36 32.200 -9.922 -3.107 1.00 31.03 O ATOM 540 CB ILE A 36 29.498 -11.422 -2.976 1.00 4.42 C ATOM 541 CG1 ILE A 36 30.213 -11.542 -4.324 1.00 12.15 C ATOM 542 CG2 ILE A 36 28.410 -10.361 -3.040 1.00 40.50 C ATOM 543 CD1 ILE A 36 30.069 -10.314 -5.195 1.00 44.02 C ATOM 0 H ILE A 36 28.921 -10.459 -0.647 1.00 50.31 H new ATOM 0 HA ILE A 36 31.192 -11.928 -1.738 1.00 14.24 H new ATOM 0 HB ILE A 36 29.031 -12.380 -2.747 1.00 4.42 H new ATOM 0 HG12 ILE A 36 31.272 -11.731 -4.149 1.00 12.15 H new ATOM 0 HG13 ILE A 36 29.819 -12.406 -4.860 1.00 12.15 H new ATOM 0 HG21 ILE A 36 27.703 -10.612 -3.831 1.00 40.50 H new ATOM 0 HG22 ILE A 36 27.886 -10.319 -2.085 1.00 40.50 H new ATOM 0 HG23 ILE A 36 28.860 -9.391 -3.250 1.00 40.50 H new ATOM 0 HD11 ILE A 36 30.600 -10.470 -6.134 1.00 44.02 H new ATOM 0 HD12 ILE A 36 29.014 -10.136 -5.401 1.00 44.02 H new ATOM 0 HD13 ILE A 36 30.489 -9.451 -4.679 1.00 44.02 H new ATOM 555 N ILE A 37 30.966 -8.714 -1.663 1.00 61.21 N ATOM 556 CA ILE A 37 31.649 -7.461 -1.958 1.00 44.03 C ATOM 557 C ILE A 37 33.136 -7.555 -1.631 1.00 71.14 C ATOM 558 O ILE A 37 33.937 -6.746 -2.100 1.00 24.51 O ATOM 559 CB ILE A 37 31.036 -6.287 -1.173 1.00 51.30 C ATOM 560 CG1 ILE A 37 31.381 -4.958 -1.848 1.00 5.43 C ATOM 561 CG2 ILE A 37 31.526 -6.299 0.267 1.00 20.12 C ATOM 562 CD1 ILE A 37 30.570 -4.684 -3.095 1.00 21.03 C ATOM 0 H ILE A 37 30.225 -8.637 -0.966 1.00 61.21 H new ATOM 0 HA ILE A 37 31.525 -7.278 -3.025 1.00 44.03 H new ATOM 0 HB ILE A 37 29.952 -6.400 -1.168 1.00 51.30 H new ATOM 0 HG12 ILE A 37 31.224 -4.147 -1.137 1.00 5.43 H new ATOM 0 HG13 ILE A 37 32.440 -4.955 -2.105 1.00 5.43 H new ATOM 0 HG21 ILE A 37 31.084 -5.463 0.809 1.00 20.12 H new ATOM 0 HG22 ILE A 37 31.234 -7.235 0.743 1.00 20.12 H new ATOM 0 HG23 ILE A 37 32.612 -6.208 0.283 1.00 20.12 H new ATOM 0 HD11 ILE A 37 30.868 -3.725 -3.520 1.00 21.03 H new ATOM 0 HD12 ILE A 37 30.746 -5.475 -3.824 1.00 21.03 H new ATOM 0 HD13 ILE A 37 29.510 -4.654 -2.841 1.00 21.03 H new ATOM 574 N ASP A 38 33.497 -8.548 -0.826 1.00 61.03 N ATOM 575 CA ASP A 38 34.888 -8.750 -0.439 1.00 23.54 C ATOM 576 C ASP A 38 35.737 -9.142 -1.644 1.00 71.23 C ATOM 577 O ASP A 38 36.925 -8.828 -1.707 1.00 20.45 O ATOM 578 CB ASP A 38 34.987 -9.828 0.642 1.00 21.21 C ATOM 579 CG ASP A 38 36.382 -9.936 1.227 1.00 52.24 C ATOM 580 OD1 ASP A 38 37.202 -9.027 0.977 1.00 71.42 O ATOM 581 OD2 ASP A 38 36.653 -10.928 1.935 1.00 41.14 O ATOM 0 H ASP A 38 32.846 -9.225 -0.429 1.00 61.03 H new ATOM 0 HA ASP A 38 35.268 -7.809 -0.040 1.00 23.54 H new ATOM 0 HB2 ASP A 38 34.278 -9.605 1.439 1.00 21.21 H new ATOM 0 HB3 ASP A 38 34.698 -10.790 0.219 1.00 21.21 H new ATOM 586 N GLU A 39 35.118 -9.830 -2.599 1.00 21.33 N ATOM 587 CA GLU A 39 35.818 -10.266 -3.801 1.00 62.23 C ATOM 588 C GLU A 39 36.112 -9.083 -4.719 1.00 3.22 C ATOM 589 O GLU A 39 35.838 -7.934 -4.375 1.00 21.14 O ATOM 590 CB GLU A 39 34.989 -11.312 -4.550 1.00 25.32 C ATOM 591 CG GLU A 39 34.863 -12.633 -3.809 1.00 4.22 C ATOM 592 CD GLU A 39 36.150 -13.435 -3.824 1.00 32.41 C ATOM 593 OE1 GLU A 39 36.991 -13.189 -4.713 1.00 64.44 O ATOM 594 OE2 GLU A 39 36.315 -14.309 -2.947 1.00 60.14 O ATOM 0 H GLU A 39 34.134 -10.097 -2.563 1.00 21.33 H new ATOM 0 HA GLU A 39 36.765 -10.712 -3.497 1.00 62.23 H new ATOM 0 HB2 GLU A 39 33.992 -10.911 -4.732 1.00 25.32 H new ATOM 0 HB3 GLU A 39 35.443 -11.493 -5.524 1.00 25.32 H new ATOM 0 HG2 GLU A 39 34.572 -12.440 -2.777 1.00 4.22 H new ATOM 0 HG3 GLU A 39 34.066 -13.224 -4.260 1.00 4.22 H new ATOM 601 N ASN A 40 36.673 -9.373 -5.888 1.00 61.42 N ATOM 602 CA ASN A 40 37.006 -8.334 -6.856 1.00 10.05 C ATOM 603 C ASN A 40 36.948 -8.877 -8.280 1.00 35.51 C ATOM 604 O ASN A 40 37.551 -8.317 -9.194 1.00 44.35 O ATOM 605 CB ASN A 40 38.399 -7.770 -6.570 1.00 1.42 C ATOM 606 CG ASN A 40 38.646 -6.452 -7.280 1.00 22.53 C ATOM 607 OD1 ASN A 40 37.813 -5.547 -7.240 1.00 31.24 O ATOM 608 ND2 ASN A 40 39.796 -6.340 -7.935 1.00 32.23 N ATOM 0 H ASN A 40 36.907 -10.319 -6.188 1.00 61.42 H new ATOM 0 HA ASN A 40 36.270 -7.535 -6.761 1.00 10.05 H new ATOM 0 HB2 ASN A 40 38.517 -7.629 -5.496 1.00 1.42 H new ATOM 0 HB3 ASN A 40 39.152 -8.494 -6.881 1.00 1.42 H new ATOM 0 HD21 ASN A 40 40.018 -5.477 -8.432 1.00 32.23 H new ATOM 0 HD22 ASN A 40 40.457 -7.117 -7.941 1.00 32.23 H new ATOM 615 N ASP A 41 36.216 -9.972 -8.460 1.00 4.21 N ATOM 616 CA ASP A 41 36.077 -10.591 -9.773 1.00 40.20 C ATOM 617 C ASP A 41 34.822 -10.089 -10.480 1.00 34.33 C ATOM 618 O ASP A 41 33.749 -10.006 -9.880 1.00 2.31 O ATOM 619 CB ASP A 41 36.029 -12.114 -9.640 1.00 14.30 C ATOM 620 CG ASP A 41 37.409 -12.740 -9.646 1.00 44.42 C ATOM 621 OD1 ASP A 41 38.370 -12.061 -9.226 1.00 34.43 O ATOM 622 OD2 ASP A 41 37.530 -13.907 -10.073 1.00 31.55 O ATOM 0 H ASP A 41 35.710 -10.449 -7.713 1.00 4.21 H new ATOM 0 HA ASP A 41 36.945 -10.314 -10.372 1.00 40.20 H new ATOM 0 HB2 ASP A 41 35.517 -12.379 -8.715 1.00 14.30 H new ATOM 0 HB3 ASP A 41 35.442 -12.529 -10.459 1.00 14.30 H new ATOM 627 N THR A 42 34.962 -9.755 -11.759 1.00 30.21 N ATOM 628 CA THR A 42 33.841 -9.260 -12.547 1.00 14.31 C ATOM 629 C THR A 42 32.817 -10.361 -12.800 1.00 1.24 C ATOM 630 O THR A 42 31.613 -10.105 -12.839 1.00 64.43 O ATOM 631 CB THR A 42 34.312 -8.692 -13.899 1.00 74.22 C ATOM 632 OG1 THR A 42 34.833 -9.745 -14.717 1.00 63.15 O ATOM 633 CG2 THR A 42 35.377 -7.625 -13.697 1.00 32.22 C ATOM 0 H THR A 42 35.842 -9.819 -12.271 1.00 30.21 H new ATOM 0 HA THR A 42 33.376 -8.462 -11.968 1.00 14.31 H new ATOM 0 HB THR A 42 33.455 -8.237 -14.395 1.00 74.22 H new ATOM 0 HG1 THR A 42 35.129 -9.376 -15.576 1.00 63.15 H new ATOM 0 HG21 THR A 42 35.694 -7.239 -14.666 1.00 32.22 H new ATOM 0 HG22 THR A 42 34.968 -6.811 -13.098 1.00 32.22 H new ATOM 0 HG23 THR A 42 36.234 -8.059 -13.182 1.00 32.22 H new ATOM 641 N ASP A 43 33.303 -11.586 -12.969 1.00 54.42 N ATOM 642 CA ASP A 43 32.429 -12.727 -13.216 1.00 41.14 C ATOM 643 C ASP A 43 31.553 -13.014 -12.001 1.00 52.21 C ATOM 644 O ASP A 43 30.354 -13.260 -12.131 1.00 54.44 O ATOM 645 CB ASP A 43 33.258 -13.964 -13.567 1.00 14.03 C ATOM 646 CG ASP A 43 32.468 -14.982 -14.367 1.00 4.34 C ATOM 647 OD1 ASP A 43 32.201 -14.722 -15.559 1.00 25.01 O ATOM 648 OD2 ASP A 43 32.119 -16.038 -13.801 1.00 34.32 O ATOM 0 H ASP A 43 34.297 -11.814 -12.939 1.00 54.42 H new ATOM 0 HA ASP A 43 31.781 -12.482 -14.058 1.00 41.14 H new ATOM 0 HB2 ASP A 43 34.136 -13.660 -14.137 1.00 14.03 H new ATOM 0 HB3 ASP A 43 33.619 -14.428 -12.649 1.00 14.03 H new ATOM 653 N VAL A 44 32.160 -12.982 -10.819 1.00 41.31 N ATOM 654 CA VAL A 44 31.436 -13.238 -9.580 1.00 74.11 C ATOM 655 C VAL A 44 30.447 -12.117 -9.280 1.00 32.34 C ATOM 656 O VAL A 44 29.324 -12.367 -8.843 1.00 74.44 O ATOM 657 CB VAL A 44 32.399 -13.391 -8.388 1.00 32.30 C ATOM 658 CG1 VAL A 44 31.622 -13.580 -7.094 1.00 73.11 C ATOM 659 CG2 VAL A 44 33.353 -14.553 -8.621 1.00 3.34 C ATOM 0 H VAL A 44 33.152 -12.781 -10.694 1.00 41.31 H new ATOM 0 HA VAL A 44 30.891 -14.172 -9.719 1.00 74.11 H new ATOM 0 HB VAL A 44 32.988 -12.478 -8.299 1.00 32.30 H new ATOM 0 HG11 VAL A 44 32.319 -13.686 -6.263 1.00 73.11 H new ATOM 0 HG12 VAL A 44 30.983 -12.713 -6.923 1.00 73.11 H new ATOM 0 HG13 VAL A 44 31.006 -14.476 -7.167 1.00 73.11 H new ATOM 0 HG21 VAL A 44 34.027 -14.647 -7.769 1.00 3.34 H new ATOM 0 HG22 VAL A 44 32.783 -15.475 -8.736 1.00 3.34 H new ATOM 0 HG23 VAL A 44 33.934 -14.371 -9.525 1.00 3.34 H new ATOM 669 N MET A 45 30.872 -10.881 -9.517 1.00 4.14 N ATOM 670 CA MET A 45 30.023 -9.721 -9.273 1.00 1.21 C ATOM 671 C MET A 45 28.885 -9.657 -10.287 1.00 21.53 C ATOM 672 O MET A 45 27.735 -9.405 -9.928 1.00 24.01 O ATOM 673 CB MET A 45 30.849 -8.435 -9.335 1.00 44.32 C ATOM 674 CG MET A 45 31.573 -8.114 -8.037 1.00 52.35 C ATOM 675 SD MET A 45 30.491 -7.362 -6.807 1.00 13.13 S ATOM 676 CE MET A 45 29.992 -5.869 -7.661 1.00 3.41 C ATOM 0 H MET A 45 31.799 -10.657 -9.878 1.00 4.14 H new ATOM 0 HA MET A 45 29.593 -9.820 -8.276 1.00 1.21 H new ATOM 0 HB2 MET A 45 31.581 -8.522 -10.138 1.00 44.32 H new ATOM 0 HB3 MET A 45 30.193 -7.603 -9.591 1.00 44.32 H new ATOM 0 HG2 MET A 45 32.001 -9.029 -7.628 1.00 52.35 H new ATOM 0 HG3 MET A 45 32.403 -7.440 -8.246 1.00 52.35 H new ATOM 0 HE1 MET A 45 30.188 -5.004 -7.027 1.00 3.41 H new ATOM 0 HE2 MET A 45 30.557 -5.774 -8.588 1.00 3.41 H new ATOM 0 HE3 MET A 45 28.927 -5.919 -7.888 1.00 3.41 H new ATOM 686 N MET A 46 29.214 -9.888 -11.554 1.00 12.14 N ATOM 687 CA MET A 46 28.218 -9.858 -12.619 1.00 0.33 C ATOM 688 C MET A 46 27.246 -11.026 -12.487 1.00 52.33 C ATOM 689 O MET A 46 26.051 -10.883 -12.745 1.00 55.42 O ATOM 690 CB MET A 46 28.902 -9.899 -13.987 1.00 32.54 C ATOM 691 CG MET A 46 29.386 -11.285 -14.382 1.00 21.12 C ATOM 692 SD MET A 46 30.175 -11.309 -16.003 1.00 74.02 S ATOM 693 CE MET A 46 28.771 -10.984 -17.067 1.00 72.22 C ATOM 0 H MET A 46 30.162 -10.098 -11.868 1.00 12.14 H new ATOM 0 HA MET A 46 27.655 -8.929 -12.531 1.00 0.33 H new ATOM 0 HB2 MET A 46 28.206 -9.537 -14.743 1.00 32.54 H new ATOM 0 HB3 MET A 46 29.750 -9.215 -13.981 1.00 32.54 H new ATOM 0 HG2 MET A 46 30.091 -11.646 -13.634 1.00 21.12 H new ATOM 0 HG3 MET A 46 28.541 -11.974 -14.383 1.00 21.12 H new ATOM 0 HE1 MET A 46 29.013 -11.277 -18.089 1.00 72.22 H new ATOM 0 HE2 MET A 46 27.911 -11.556 -16.719 1.00 72.22 H new ATOM 0 HE3 MET A 46 28.534 -9.920 -17.041 1.00 72.22 H new ATOM 703 N ASP A 47 27.766 -12.180 -12.085 1.00 71.13 N ATOM 704 CA ASP A 47 26.943 -13.373 -11.919 1.00 43.31 C ATOM 705 C ASP A 47 26.027 -13.236 -10.707 1.00 22.31 C ATOM 706 O ASP A 47 24.858 -13.620 -10.753 1.00 23.42 O ATOM 707 CB ASP A 47 27.828 -14.611 -11.769 1.00 32.44 C ATOM 708 CG ASP A 47 27.024 -15.867 -11.494 1.00 73.13 C ATOM 709 OD1 ASP A 47 26.051 -16.122 -12.235 1.00 24.00 O ATOM 710 OD2 ASP A 47 27.366 -16.594 -10.538 1.00 63.44 O ATOM 0 H ASP A 47 28.753 -12.315 -11.868 1.00 71.13 H new ATOM 0 HA ASP A 47 26.323 -13.485 -12.809 1.00 43.31 H new ATOM 0 HB2 ASP A 47 28.412 -14.749 -12.679 1.00 32.44 H new ATOM 0 HB3 ASP A 47 28.537 -14.451 -10.956 1.00 32.44 H new ATOM 715 N PHE A 48 26.566 -12.688 -9.623 1.00 41.00 N ATOM 716 CA PHE A 48 25.798 -12.503 -8.397 1.00 51.24 C ATOM 717 C PHE A 48 24.734 -11.424 -8.580 1.00 23.00 C ATOM 718 O PHE A 48 23.579 -11.605 -8.193 1.00 43.41 O ATOM 719 CB PHE A 48 26.726 -12.129 -7.240 1.00 43.11 C ATOM 720 CG PHE A 48 26.001 -11.588 -6.041 1.00 24.32 C ATOM 721 CD1 PHE A 48 25.512 -12.444 -5.067 1.00 1.32 C ATOM 722 CD2 PHE A 48 25.810 -10.225 -5.887 1.00 53.32 C ATOM 723 CE1 PHE A 48 24.844 -11.949 -3.963 1.00 1.23 C ATOM 724 CE2 PHE A 48 25.143 -9.724 -4.785 1.00 12.21 C ATOM 725 CZ PHE A 48 24.660 -10.587 -3.821 1.00 23.20 C ATOM 0 H PHE A 48 27.532 -12.364 -9.568 1.00 41.00 H new ATOM 0 HA PHE A 48 25.300 -13.444 -8.164 1.00 51.24 H new ATOM 0 HB2 PHE A 48 27.296 -13.009 -6.943 1.00 43.11 H new ATOM 0 HB3 PHE A 48 27.444 -11.386 -7.586 1.00 43.11 H new ATOM 0 HD1 PHE A 48 25.654 -13.509 -5.172 1.00 1.32 H new ATOM 0 HD2 PHE A 48 26.187 -9.545 -6.637 1.00 53.32 H new ATOM 0 HE1 PHE A 48 24.466 -12.626 -3.212 1.00 1.23 H new ATOM 0 HE2 PHE A 48 25.000 -8.659 -4.678 1.00 12.21 H new ATOM 0 HZ PHE A 48 24.140 -10.198 -2.958 1.00 23.20 H new ATOM 735 N ILE A 49 25.133 -10.303 -9.171 1.00 51.20 N ATOM 736 CA ILE A 49 24.215 -9.195 -9.405 1.00 73.24 C ATOM 737 C ILE A 49 23.128 -9.584 -10.402 1.00 14.24 C ATOM 738 O ILE A 49 21.942 -9.356 -10.162 1.00 52.23 O ATOM 739 CB ILE A 49 24.956 -7.951 -9.930 1.00 75.35 C ATOM 740 CG1 ILE A 49 25.342 -7.033 -8.769 1.00 65.22 C ATOM 741 CG2 ILE A 49 24.092 -7.206 -10.937 1.00 13.11 C ATOM 742 CD1 ILE A 49 26.772 -7.213 -8.307 1.00 54.13 C ATOM 0 H ILE A 49 26.085 -10.138 -9.496 1.00 51.20 H new ATOM 0 HA ILE A 49 23.757 -8.956 -8.445 1.00 73.24 H new ATOM 0 HB ILE A 49 25.868 -8.274 -10.432 1.00 75.35 H new ATOM 0 HG12 ILE A 49 25.194 -5.996 -9.071 1.00 65.22 H new ATOM 0 HG13 ILE A 49 24.671 -7.219 -7.930 1.00 65.22 H new ATOM 0 HG21 ILE A 49 24.629 -6.329 -11.299 1.00 13.11 H new ATOM 0 HG22 ILE A 49 23.862 -7.863 -11.776 1.00 13.11 H new ATOM 0 HG23 ILE A 49 23.165 -6.891 -10.458 1.00 13.11 H new ATOM 0 HD11 ILE A 49 26.976 -6.531 -7.482 1.00 54.13 H new ATOM 0 HD12 ILE A 49 26.920 -8.240 -7.974 1.00 54.13 H new ATOM 0 HD13 ILE A 49 27.451 -6.998 -9.132 1.00 54.13 H new ATOM 754 N SER A 50 23.540 -10.174 -11.519 1.00 51.31 N ATOM 755 CA SER A 50 22.601 -10.593 -12.553 1.00 44.13 C ATOM 756 C SER A 50 21.626 -11.634 -12.012 1.00 62.13 C ATOM 757 O SER A 50 20.445 -11.634 -12.359 1.00 40.43 O ATOM 758 CB SER A 50 23.356 -11.161 -13.757 1.00 22.34 C ATOM 759 OG SER A 50 22.495 -11.318 -14.871 1.00 60.21 O ATOM 0 H SER A 50 24.518 -10.373 -11.731 1.00 51.31 H new ATOM 0 HA SER A 50 22.032 -9.718 -12.869 1.00 44.13 H new ATOM 0 HB2 SER A 50 24.179 -10.497 -14.020 1.00 22.34 H new ATOM 0 HB3 SER A 50 23.795 -12.124 -13.494 1.00 22.34 H new ATOM 0 HG SER A 50 23.002 -11.681 -15.627 1.00 60.21 H new ATOM 765 N ARG A 51 22.130 -12.521 -11.160 1.00 51.12 N ATOM 766 CA ARG A 51 21.305 -13.569 -10.571 1.00 52.25 C ATOM 767 C ARG A 51 20.389 -12.998 -9.493 1.00 20.04 C ATOM 768 O ARG A 51 19.295 -13.511 -9.258 1.00 15.43 O ATOM 769 CB ARG A 51 22.187 -14.668 -9.977 1.00 72.53 C ATOM 770 CG ARG A 51 21.401 -15.839 -9.409 1.00 1.34 C ATOM 771 CD ARG A 51 20.739 -16.653 -10.509 1.00 43.13 C ATOM 772 NE ARG A 51 20.607 -18.061 -10.145 1.00 4.14 N ATOM 773 CZ ARG A 51 21.621 -18.919 -10.147 1.00 45.15 C ATOM 774 NH1 ARG A 51 22.836 -18.514 -10.494 1.00 33.23 N ATOM 775 NH2 ARG A 51 21.422 -20.185 -9.803 1.00 1.31 N ATOM 0 H ARG A 51 23.105 -12.535 -10.862 1.00 51.12 H new ATOM 0 HA ARG A 51 20.686 -13.996 -11.360 1.00 52.25 H new ATOM 0 HB2 ARG A 51 22.864 -15.036 -10.748 1.00 72.53 H new ATOM 0 HB3 ARG A 51 22.805 -14.239 -9.188 1.00 72.53 H new ATOM 0 HG2 ARG A 51 22.068 -16.480 -8.832 1.00 1.34 H new ATOM 0 HG3 ARG A 51 20.641 -15.469 -8.721 1.00 1.34 H new ATOM 0 HD2 ARG A 51 19.753 -16.240 -10.722 1.00 43.13 H new ATOM 0 HD3 ARG A 51 21.325 -16.569 -11.424 1.00 43.13 H new ATOM 0 HE ARG A 51 19.686 -18.405 -9.874 1.00 4.14 H new ATOM 0 HH11 ARG A 51 22.993 -17.542 -10.760 1.00 33.23 H new ATOM 0 HH12 ARG A 51 23.613 -19.175 -10.495 1.00 33.23 H new ATOM 0 HH21 ARG A 51 20.489 -20.501 -9.537 1.00 1.31 H new ATOM 0 HH22 ARG A 51 22.202 -20.843 -9.805 1.00 1.31 H new ATOM 789 N PHE A 52 20.845 -11.934 -8.839 1.00 74.41 N ATOM 790 CA PHE A 52 20.067 -11.295 -7.784 1.00 43.40 C ATOM 791 C PHE A 52 19.059 -10.312 -8.371 1.00 51.53 C ATOM 792 O PHE A 52 17.992 -10.086 -7.802 1.00 33.15 O ATOM 793 CB PHE A 52 20.995 -10.569 -6.807 1.00 14.11 C ATOM 794 CG PHE A 52 21.297 -11.361 -5.567 1.00 12.31 C ATOM 795 CD1 PHE A 52 21.478 -12.733 -5.632 1.00 43.23 C ATOM 796 CD2 PHE A 52 21.400 -10.733 -4.336 1.00 50.11 C ATOM 797 CE1 PHE A 52 21.756 -13.464 -4.493 1.00 13.34 C ATOM 798 CE2 PHE A 52 21.678 -11.459 -3.193 1.00 14.41 C ATOM 799 CZ PHE A 52 21.857 -12.826 -3.272 1.00 13.24 C ATOM 0 H PHE A 52 21.748 -11.497 -9.021 1.00 74.41 H new ATOM 0 HA PHE A 52 19.521 -12.071 -7.248 1.00 43.40 H new ATOM 0 HB2 PHE A 52 21.930 -10.332 -7.314 1.00 14.11 H new ATOM 0 HB3 PHE A 52 20.539 -9.621 -6.521 1.00 14.11 H new ATOM 0 HD1 PHE A 52 21.401 -13.237 -6.584 1.00 43.23 H new ATOM 0 HD2 PHE A 52 21.261 -9.664 -4.269 1.00 50.11 H new ATOM 0 HE1 PHE A 52 21.894 -14.533 -4.557 1.00 13.34 H new ATOM 0 HE2 PHE A 52 21.755 -10.958 -2.239 1.00 14.41 H new ATOM 0 HZ PHE A 52 22.076 -13.395 -2.381 1.00 13.24 H new ATOM 809 N ALA A 53 19.406 -9.729 -9.514 1.00 42.02 N ATOM 810 CA ALA A 53 18.532 -8.771 -10.180 1.00 31.30 C ATOM 811 C ALA A 53 17.774 -9.427 -11.329 1.00 55.00 C ATOM 812 O ALA A 53 18.122 -10.522 -11.770 1.00 61.14 O ATOM 813 CB ALA A 53 19.338 -7.584 -10.686 1.00 72.23 C ATOM 0 H ALA A 53 20.287 -9.904 -9.998 1.00 42.02 H new ATOM 0 HA ALA A 53 17.802 -8.416 -9.453 1.00 31.30 H new ATOM 0 HB1 ALA A 53 18.673 -6.877 -11.181 1.00 72.23 H new ATOM 0 HB2 ALA A 53 19.829 -7.093 -9.846 1.00 72.23 H new ATOM 0 HB3 ALA A 53 20.091 -7.931 -11.394 1.00 72.23 H new ATOM 819 N ARG A 54 16.735 -8.751 -11.809 1.00 11.44 N ATOM 820 CA ARG A 54 15.926 -9.269 -12.905 1.00 41.13 C ATOM 821 C ARG A 54 15.428 -8.135 -13.797 1.00 23.01 C ATOM 822 O ARG A 54 14.475 -8.302 -14.559 1.00 45.21 O ATOM 823 CB ARG A 54 14.737 -10.062 -12.360 1.00 24.52 C ATOM 824 CG ARG A 54 15.079 -11.498 -11.995 1.00 42.11 C ATOM 825 CD ARG A 54 15.366 -12.334 -13.233 1.00 2.24 C ATOM 826 NE ARG A 54 16.796 -12.411 -13.521 1.00 72.33 N ATOM 827 CZ ARG A 54 17.293 -12.942 -14.633 1.00 23.44 C ATOM 828 NH1 ARG A 54 16.481 -13.440 -15.555 1.00 1.30 N ATOM 829 NH2 ARG A 54 18.606 -12.976 -14.823 1.00 61.31 N ATOM 0 H ARG A 54 16.434 -7.843 -11.456 1.00 11.44 H new ATOM 0 HA ARG A 54 16.552 -9.931 -13.503 1.00 41.13 H new ATOM 0 HB2 ARG A 54 14.346 -9.555 -11.478 1.00 24.52 H new ATOM 0 HB3 ARG A 54 13.941 -10.065 -13.105 1.00 24.52 H new ATOM 0 HG2 ARG A 54 15.948 -11.510 -11.337 1.00 42.11 H new ATOM 0 HG3 ARG A 54 14.252 -11.940 -11.440 1.00 42.11 H new ATOM 0 HD2 ARG A 54 14.970 -13.340 -13.091 1.00 2.24 H new ATOM 0 HD3 ARG A 54 14.846 -11.904 -14.089 1.00 2.24 H new ATOM 0 HE ARG A 54 17.448 -12.037 -12.831 1.00 72.33 H new ATOM 0 HH11 ARG A 54 15.471 -13.416 -15.412 1.00 1.30 H new ATOM 0 HH12 ARG A 54 16.866 -13.847 -16.407 1.00 1.30 H new ATOM 0 HH21 ARG A 54 19.234 -12.594 -14.115 1.00 61.31 H new ATOM 0 HH22 ARG A 54 18.987 -13.384 -15.677 1.00 61.31 H new ATOM 843 N THR A 55 16.079 -6.980 -13.696 1.00 23.21 N ATOM 844 CA THR A 55 15.702 -5.818 -14.491 1.00 24.41 C ATOM 845 C THR A 55 14.200 -5.570 -14.424 1.00 72.41 C ATOM 846 O THR A 55 13.436 -6.106 -15.228 1.00 23.45 O ATOM 847 CB THR A 55 16.118 -5.987 -15.964 1.00 64.04 C ATOM 848 OG1 THR A 55 15.405 -7.080 -16.553 1.00 31.31 O ATOM 849 CG2 THR A 55 17.615 -6.231 -16.080 1.00 24.35 C ATOM 0 H THR A 55 16.870 -6.825 -13.071 1.00 23.21 H new ATOM 0 HA THR A 55 16.228 -4.962 -14.069 1.00 24.41 H new ATOM 0 HB THR A 55 15.874 -5.066 -16.494 1.00 64.04 H new ATOM 0 HG1 THR A 55 14.603 -7.271 -16.023 1.00 31.31 H new ATOM 0 HG21 THR A 55 17.884 -6.347 -17.130 1.00 24.35 H new ATOM 0 HG22 THR A 55 18.156 -5.384 -15.658 1.00 24.35 H new ATOM 0 HG23 THR A 55 17.879 -7.137 -15.535 1.00 24.35 H new ATOM 857 N ASP A 56 13.782 -4.755 -13.462 1.00 52.14 N ATOM 858 CA ASP A 56 12.369 -4.434 -13.292 1.00 64.21 C ATOM 859 C ASP A 56 12.191 -2.987 -12.843 1.00 30.42 C ATOM 860 O ASP A 56 13.078 -2.408 -12.217 1.00 23.51 O ATOM 861 CB ASP A 56 11.729 -5.380 -12.275 1.00 11.12 C ATOM 862 CG ASP A 56 12.450 -5.371 -10.941 1.00 43.54 C ATOM 863 OD1 ASP A 56 12.101 -4.532 -10.085 1.00 24.15 O ATOM 864 OD2 ASP A 56 13.364 -6.201 -10.755 1.00 64.11 O ATOM 0 H ASP A 56 14.401 -4.304 -12.788 1.00 52.14 H new ATOM 0 HA ASP A 56 11.874 -4.560 -14.255 1.00 64.21 H new ATOM 0 HB2 ASP A 56 10.688 -5.095 -12.124 1.00 11.12 H new ATOM 0 HB3 ASP A 56 11.727 -6.393 -12.677 1.00 11.12 H new ATOM 869 N GLU A 57 11.039 -2.410 -13.168 1.00 14.22 N ATOM 870 CA GLU A 57 10.746 -1.030 -12.799 1.00 13.21 C ATOM 871 C GLU A 57 9.718 -0.974 -11.673 1.00 35.24 C ATOM 872 O GLU A 57 9.422 -1.987 -11.037 1.00 43.13 O ATOM 873 CB GLU A 57 10.232 -0.252 -14.012 1.00 73.23 C ATOM 874 CG GLU A 57 11.110 -0.396 -15.244 1.00 1.42 C ATOM 875 CD GLU A 57 10.749 0.592 -16.336 1.00 50.22 C ATOM 876 OE1 GLU A 57 11.099 1.783 -16.197 1.00 55.24 O ATOM 877 OE2 GLU A 57 10.117 0.175 -17.329 1.00 61.10 O ATOM 0 H GLU A 57 10.294 -2.876 -13.686 1.00 14.22 H new ATOM 0 HA GLU A 57 11.670 -0.572 -12.447 1.00 13.21 H new ATOM 0 HB2 GLU A 57 9.225 -0.593 -14.252 1.00 73.23 H new ATOM 0 HB3 GLU A 57 10.157 0.804 -13.751 1.00 73.23 H new ATOM 0 HG2 GLU A 57 12.153 -0.254 -14.961 1.00 1.42 H new ATOM 0 HG3 GLU A 57 11.021 -1.410 -15.633 1.00 1.42 H new ATOM 884 N ILE A 58 9.177 0.215 -11.431 1.00 51.33 N ATOM 885 CA ILE A 58 8.182 0.403 -10.383 1.00 10.12 C ATOM 886 C ILE A 58 6.801 0.660 -10.975 1.00 54.24 C ATOM 887 O ILE A 58 6.642 1.495 -11.865 1.00 54.22 O ATOM 888 CB ILE A 58 8.556 1.574 -9.455 1.00 21.11 C ATOM 889 CG1 ILE A 58 9.396 2.605 -10.212 1.00 13.01 C ATOM 890 CG2 ILE A 58 9.308 1.063 -8.235 1.00 1.42 C ATOM 891 CD1 ILE A 58 8.639 3.304 -11.320 1.00 24.01 C ATOM 0 H ILE A 58 9.411 1.063 -11.947 1.00 51.33 H new ATOM 0 HA ILE A 58 8.159 -0.518 -9.801 1.00 10.12 H new ATOM 0 HB ILE A 58 7.640 2.058 -9.117 1.00 21.11 H new ATOM 0 HG12 ILE A 58 9.763 3.351 -9.507 1.00 13.01 H new ATOM 0 HG13 ILE A 58 10.269 2.110 -10.636 1.00 13.01 H new ATOM 0 HG21 ILE A 58 9.566 1.902 -7.589 1.00 1.42 H new ATOM 0 HG22 ILE A 58 8.678 0.362 -7.687 1.00 1.42 H new ATOM 0 HG23 ILE A 58 10.220 0.558 -8.555 1.00 1.42 H new ATOM 0 HD11 ILE A 58 9.296 4.021 -11.813 1.00 24.01 H new ATOM 0 HD12 ILE A 58 8.295 2.568 -12.046 1.00 24.01 H new ATOM 0 HD13 ILE A 58 7.781 3.828 -10.900 1.00 24.01 H new ATOM 903 N MET A 59 5.804 -0.062 -10.474 1.00 60.33 N ATOM 904 CA MET A 59 4.435 0.090 -10.952 1.00 53.03 C ATOM 905 C MET A 59 3.787 1.336 -10.358 1.00 12.45 C ATOM 906 O MET A 59 4.255 1.896 -9.366 1.00 65.20 O ATOM 907 CB MET A 59 3.608 -1.147 -10.598 1.00 74.32 C ATOM 908 CG MET A 59 4.442 -2.405 -10.418 1.00 2.14 C ATOM 909 SD MET A 59 3.445 -3.907 -10.425 1.00 22.24 S ATOM 910 CE MET A 59 4.723 -5.162 -10.456 1.00 43.43 C ATOM 0 H MET A 59 5.919 -0.758 -9.737 1.00 60.33 H new ATOM 0 HA MET A 59 4.465 0.200 -12.036 1.00 53.03 H new ATOM 0 HB2 MET A 59 3.055 -0.953 -9.679 1.00 74.32 H new ATOM 0 HB3 MET A 59 2.872 -1.318 -11.383 1.00 74.32 H new ATOM 0 HG2 MET A 59 5.183 -2.462 -11.215 1.00 2.14 H new ATOM 0 HG3 MET A 59 4.990 -2.342 -9.478 1.00 2.14 H new ATOM 0 HE1 MET A 59 4.263 -6.150 -10.463 1.00 43.43 H new ATOM 0 HE2 MET A 59 5.332 -5.039 -11.352 1.00 43.43 H new ATOM 0 HE3 MET A 59 5.353 -5.062 -9.572 1.00 43.43 H new ATOM 920 N PRO A 60 2.683 1.783 -10.976 1.00 5.23 N ATOM 921 CA PRO A 60 1.948 2.968 -10.524 1.00 50.10 C ATOM 922 C PRO A 60 1.230 2.735 -9.199 1.00 72.53 C ATOM 923 O PRO A 60 0.766 3.678 -8.560 1.00 3.20 O ATOM 924 CB PRO A 60 0.935 3.206 -11.647 1.00 1.13 C ATOM 925 CG PRO A 60 0.744 1.869 -12.274 1.00 61.35 C ATOM 926 CD PRO A 60 2.069 1.166 -12.163 1.00 32.11 C ATOM 0 HA PRO A 60 2.611 3.814 -10.342 1.00 50.10 H new ATOM 0 HB2 PRO A 60 -0.004 3.598 -11.257 1.00 1.13 H new ATOM 0 HB3 PRO A 60 1.308 3.932 -12.369 1.00 1.13 H new ATOM 0 HG2 PRO A 60 -0.039 1.308 -11.765 1.00 61.35 H new ATOM 0 HG3 PRO A 60 0.440 1.967 -13.316 1.00 61.35 H new ATOM 0 HD2 PRO A 60 1.944 0.090 -12.038 1.00 32.11 H new ATOM 0 HD3 PRO A 60 2.679 1.315 -13.054 1.00 32.11 H new ATOM 934 N GLU A 61 1.142 1.472 -8.794 1.00 21.45 N ATOM 935 CA GLU A 61 0.479 1.116 -7.544 1.00 64.43 C ATOM 936 C GLU A 61 1.452 1.195 -6.371 1.00 13.42 C ATOM 937 O GLU A 61 1.039 1.288 -5.214 1.00 63.55 O ATOM 938 CB GLU A 61 -0.110 -0.293 -7.637 1.00 73.24 C ATOM 939 CG GLU A 61 0.914 -1.397 -7.432 1.00 51.40 C ATOM 940 CD GLU A 61 0.486 -2.712 -8.053 1.00 25.32 C ATOM 941 OE1 GLU A 61 -0.665 -2.799 -8.527 1.00 52.34 O ATOM 942 OE2 GLU A 61 1.305 -3.656 -8.064 1.00 13.10 O ATOM 0 H GLU A 61 1.521 0.679 -9.312 1.00 21.45 H new ATOM 0 HA GLU A 61 -0.328 1.829 -7.374 1.00 64.43 H new ATOM 0 HB2 GLU A 61 -0.898 -0.398 -6.892 1.00 73.24 H new ATOM 0 HB3 GLU A 61 -0.576 -0.419 -8.614 1.00 73.24 H new ATOM 0 HG2 GLU A 61 1.866 -1.089 -7.863 1.00 51.40 H new ATOM 0 HG3 GLU A 61 1.079 -1.540 -6.364 1.00 51.40 H new ATOM 949 N ASP A 62 2.744 1.159 -6.677 1.00 73.43 N ATOM 950 CA ASP A 62 3.776 1.227 -5.649 1.00 53.02 C ATOM 951 C ASP A 62 4.720 2.398 -5.904 1.00 33.00 C ATOM 952 O ASP A 62 4.426 3.283 -6.708 1.00 11.12 O ATOM 953 CB ASP A 62 4.567 -0.081 -5.603 1.00 32.14 C ATOM 954 CG ASP A 62 3.978 -1.146 -6.507 1.00 64.12 C ATOM 955 OD1 ASP A 62 4.181 -1.058 -7.736 1.00 65.40 O ATOM 956 OD2 ASP A 62 3.314 -2.067 -5.986 1.00 41.33 O ATOM 0 H ASP A 62 3.102 1.083 -7.629 1.00 73.43 H new ATOM 0 HA ASP A 62 3.287 1.380 -4.687 1.00 53.02 H new ATOM 0 HB2 ASP A 62 5.599 0.111 -5.897 1.00 32.14 H new ATOM 0 HB3 ASP A 62 4.592 -0.451 -4.578 1.00 32.14 H new ATOM 961 N LYS A 63 5.855 2.397 -5.213 1.00 53.32 N ATOM 962 CA LYS A 63 6.843 3.459 -5.364 1.00 21.44 C ATOM 963 C LYS A 63 8.246 2.943 -5.060 1.00 61.54 C ATOM 964 O LYS A 63 8.436 1.759 -4.776 1.00 42.42 O ATOM 965 CB LYS A 63 6.508 4.631 -4.438 1.00 62.52 C ATOM 966 CG LYS A 63 5.546 4.267 -3.320 1.00 43.03 C ATOM 967 CD LYS A 63 5.604 5.276 -2.185 1.00 75.14 C ATOM 968 CE LYS A 63 4.587 6.390 -2.379 1.00 15.35 C ATOM 969 NZ LYS A 63 4.858 7.550 -1.485 1.00 3.11 N ATOM 0 H LYS A 63 6.114 1.673 -4.543 1.00 53.32 H new ATOM 0 HA LYS A 63 6.816 3.802 -6.398 1.00 21.44 H new ATOM 0 HB2 LYS A 63 7.431 5.014 -4.002 1.00 62.52 H new ATOM 0 HB3 LYS A 63 6.076 5.438 -5.029 1.00 62.52 H new ATOM 0 HG2 LYS A 63 4.531 4.218 -3.714 1.00 43.03 H new ATOM 0 HG3 LYS A 63 5.788 3.275 -2.939 1.00 43.03 H new ATOM 0 HD2 LYS A 63 5.416 4.771 -1.238 1.00 75.14 H new ATOM 0 HD3 LYS A 63 6.606 5.702 -2.126 1.00 75.14 H new ATOM 0 HE2 LYS A 63 4.604 6.720 -3.418 1.00 15.35 H new ATOM 0 HE3 LYS A 63 3.586 6.006 -2.183 1.00 15.35 H new ATOM 0 HZ1 LYS A 63 4.143 8.288 -1.647 1.00 3.11 H new ATOM 0 HZ2 LYS A 63 4.817 7.241 -0.493 1.00 3.11 H new ATOM 0 HZ3 LYS A 63 5.803 7.933 -1.690 1.00 3.11 H new ATOM 983 N THR A 64 9.227 3.838 -5.121 1.00 62.31 N ATOM 984 CA THR A 64 10.612 3.473 -4.853 1.00 24.23 C ATOM 985 C THR A 64 11.154 4.224 -3.642 1.00 20.34 C ATOM 986 O THR A 64 11.266 5.450 -3.658 1.00 22.53 O ATOM 987 CB THR A 64 11.515 3.762 -6.067 1.00 72.52 C ATOM 988 OG1 THR A 64 11.598 2.602 -6.903 1.00 32.43 O ATOM 989 CG2 THR A 64 12.910 4.171 -5.620 1.00 12.24 C ATOM 0 H THR A 64 9.088 4.821 -5.354 1.00 62.31 H new ATOM 0 HA THR A 64 10.622 2.402 -4.649 1.00 24.23 H new ATOM 0 HB THR A 64 11.075 4.585 -6.630 1.00 72.52 H new ATOM 0 HG1 THR A 64 12.172 2.794 -7.673 1.00 32.43 H new ATOM 0 HG21 THR A 64 13.529 4.370 -6.495 1.00 12.24 H new ATOM 0 HG22 THR A 64 12.847 5.071 -5.008 1.00 12.24 H new ATOM 0 HG23 THR A 64 13.356 3.366 -5.036 1.00 12.24 H new ATOM 997 N VAL A 65 11.490 3.481 -2.592 1.00 35.52 N ATOM 998 CA VAL A 65 12.022 4.076 -1.372 1.00 54.31 C ATOM 999 C VAL A 65 13.182 5.015 -1.680 1.00 44.43 C ATOM 1000 O VAL A 65 13.308 6.082 -1.080 1.00 22.21 O ATOM 1001 CB VAL A 65 12.498 2.997 -0.382 1.00 12.13 C ATOM 1002 CG1 VAL A 65 13.224 1.881 -1.117 1.00 30.24 C ATOM 1003 CG2 VAL A 65 13.389 3.611 0.687 1.00 44.32 C ATOM 0 H VAL A 65 11.403 2.465 -2.562 1.00 35.52 H new ATOM 0 HA VAL A 65 11.210 4.643 -0.916 1.00 54.31 H new ATOM 0 HB VAL A 65 11.624 2.568 0.109 1.00 12.13 H new ATOM 0 HG11 VAL A 65 13.553 1.128 -0.401 1.00 30.24 H new ATOM 0 HG12 VAL A 65 12.550 1.423 -1.841 1.00 30.24 H new ATOM 0 HG13 VAL A 65 14.090 2.291 -1.636 1.00 30.24 H new ATOM 0 HG21 VAL A 65 13.716 2.834 1.378 1.00 44.32 H new ATOM 0 HG22 VAL A 65 14.259 4.068 0.217 1.00 44.32 H new ATOM 0 HG23 VAL A 65 12.831 4.371 1.233 1.00 44.32 H new ATOM 1013 N GLY A 66 14.030 4.611 -2.622 1.00 13.20 N ATOM 1014 CA GLY A 66 15.170 5.428 -2.994 1.00 53.34 C ATOM 1015 C GLY A 66 16.296 4.612 -3.597 1.00 10.11 C ATOM 1016 O GLY A 66 16.119 3.436 -3.915 1.00 32.12 O ATOM 0 H GLY A 66 13.947 3.733 -3.134 1.00 13.20 H new ATOM 0 HA2 GLY A 66 14.852 6.186 -3.709 1.00 53.34 H new ATOM 0 HA3 GLY A 66 15.538 5.955 -2.114 1.00 53.34 H new ATOM 1020 N PHE A 67 17.458 5.237 -3.756 1.00 52.14 N ATOM 1021 CA PHE A 67 18.617 4.562 -4.328 1.00 21.43 C ATOM 1022 C PHE A 67 19.845 4.743 -3.440 1.00 13.32 C ATOM 1023 O PHE A 67 20.007 5.776 -2.789 1.00 31.41 O ATOM 1024 CB PHE A 67 18.905 5.097 -5.732 1.00 4.33 C ATOM 1025 CG PHE A 67 19.263 6.556 -5.755 1.00 24.21 C ATOM 1026 CD1 PHE A 67 18.274 7.525 -5.773 1.00 13.43 C ATOM 1027 CD2 PHE A 67 20.589 6.957 -5.759 1.00 5.35 C ATOM 1028 CE1 PHE A 67 18.601 8.868 -5.795 1.00 14.11 C ATOM 1029 CE2 PHE A 67 20.922 8.299 -5.780 1.00 64.33 C ATOM 1030 CZ PHE A 67 19.926 9.255 -5.797 1.00 44.35 C ATOM 0 H PHE A 67 17.622 6.210 -3.497 1.00 52.14 H new ATOM 0 HA PHE A 67 18.391 3.498 -4.392 1.00 21.43 H new ATOM 0 HB2 PHE A 67 19.722 4.524 -6.170 1.00 4.33 H new ATOM 0 HB3 PHE A 67 18.029 4.936 -6.360 1.00 4.33 H new ATOM 0 HD1 PHE A 67 17.236 7.228 -5.770 1.00 13.43 H new ATOM 0 HD2 PHE A 67 21.372 6.213 -5.746 1.00 5.35 H new ATOM 0 HE1 PHE A 67 17.820 9.614 -5.811 1.00 14.11 H new ATOM 0 HE2 PHE A 67 21.960 8.599 -5.783 1.00 64.33 H new ATOM 0 HZ PHE A 67 20.183 10.304 -5.812 1.00 44.35 H new ATOM 1040 N VAL A 68 20.707 3.732 -3.418 1.00 70.11 N ATOM 1041 CA VAL A 68 21.920 3.779 -2.611 1.00 64.12 C ATOM 1042 C VAL A 68 23.166 3.717 -3.488 1.00 1.01 C ATOM 1043 O VAL A 68 23.287 2.849 -4.353 1.00 5.33 O ATOM 1044 CB VAL A 68 21.964 2.623 -1.595 1.00 34.54 C ATOM 1045 CG1 VAL A 68 23.255 2.665 -0.792 1.00 31.11 C ATOM 1046 CG2 VAL A 68 20.753 2.676 -0.675 1.00 53.44 C ATOM 0 H VAL A 68 20.588 2.870 -3.950 1.00 70.11 H new ATOM 0 HA VAL A 68 21.904 4.726 -2.072 1.00 64.12 H new ATOM 0 HB VAL A 68 21.936 1.681 -2.143 1.00 34.54 H new ATOM 0 HG11 VAL A 68 23.267 1.840 -0.079 1.00 31.11 H new ATOM 0 HG12 VAL A 68 24.106 2.574 -1.467 1.00 31.11 H new ATOM 0 HG13 VAL A 68 23.318 3.611 -0.254 1.00 31.11 H new ATOM 0 HG21 VAL A 68 20.800 1.852 0.037 1.00 53.44 H new ATOM 0 HG22 VAL A 68 20.748 3.622 -0.134 1.00 53.44 H new ATOM 0 HG23 VAL A 68 19.842 2.592 -1.268 1.00 53.44 H new ATOM 1056 N VAL A 69 24.091 4.644 -3.259 1.00 21.34 N ATOM 1057 CA VAL A 69 25.330 4.694 -4.026 1.00 54.23 C ATOM 1058 C VAL A 69 26.517 4.240 -3.185 1.00 11.34 C ATOM 1059 O VAL A 69 26.828 4.840 -2.156 1.00 12.44 O ATOM 1060 CB VAL A 69 25.603 6.114 -4.557 1.00 65.11 C ATOM 1061 CG1 VAL A 69 26.800 6.111 -5.496 1.00 41.52 C ATOM 1062 CG2 VAL A 69 24.370 6.669 -5.253 1.00 41.13 C ATOM 0 H VAL A 69 24.006 5.371 -2.548 1.00 21.34 H new ATOM 0 HA VAL A 69 25.208 4.015 -4.870 1.00 54.23 H new ATOM 0 HB VAL A 69 25.836 6.761 -3.711 1.00 65.11 H new ATOM 0 HG11 VAL A 69 26.978 7.122 -5.862 1.00 41.52 H new ATOM 0 HG12 VAL A 69 27.681 5.758 -4.961 1.00 41.52 H new ATOM 0 HG13 VAL A 69 26.599 5.451 -6.340 1.00 41.52 H new ATOM 0 HG21 VAL A 69 24.581 7.673 -5.622 1.00 41.13 H new ATOM 0 HG22 VAL A 69 24.103 6.024 -6.090 1.00 41.13 H new ATOM 0 HG23 VAL A 69 23.541 6.709 -4.547 1.00 41.13 H new ATOM 1072 N VAL A 70 27.178 3.176 -3.629 1.00 42.30 N ATOM 1073 CA VAL A 70 28.333 2.642 -2.918 1.00 23.03 C ATOM 1074 C VAL A 70 29.553 2.567 -3.829 1.00 23.02 C ATOM 1075 O VAL A 70 29.552 1.847 -4.826 1.00 64.31 O ATOM 1076 CB VAL A 70 28.043 1.240 -2.350 1.00 24.12 C ATOM 1077 CG1 VAL A 70 29.150 0.810 -1.399 1.00 31.41 C ATOM 1078 CG2 VAL A 70 26.691 1.217 -1.653 1.00 24.11 C ATOM 0 H VAL A 70 26.933 2.667 -4.478 1.00 42.30 H new ATOM 0 HA VAL A 70 28.540 3.324 -2.094 1.00 23.03 H new ATOM 0 HB VAL A 70 28.012 0.531 -3.177 1.00 24.12 H new ATOM 0 HG11 VAL A 70 28.928 -0.183 -1.008 1.00 31.41 H new ATOM 0 HG12 VAL A 70 30.100 0.785 -1.933 1.00 31.41 H new ATOM 0 HG13 VAL A 70 29.216 1.519 -0.574 1.00 31.41 H new ATOM 0 HG21 VAL A 70 26.502 0.219 -1.258 1.00 24.11 H new ATOM 0 HG22 VAL A 70 26.691 1.937 -0.835 1.00 24.11 H new ATOM 0 HG23 VAL A 70 25.909 1.478 -2.366 1.00 24.11 H new ATOM 1088 N ASN A 71 30.594 3.316 -3.478 1.00 53.24 N ATOM 1089 CA ASN A 71 31.822 3.335 -4.265 1.00 74.20 C ATOM 1090 C ASN A 71 33.009 2.864 -3.431 1.00 22.01 C ATOM 1091 O ASN A 71 33.448 3.555 -2.512 1.00 44.13 O ATOM 1092 CB ASN A 71 32.087 4.743 -4.801 1.00 61.13 C ATOM 1093 CG ASN A 71 30.871 5.342 -5.481 1.00 34.42 C ATOM 1094 OD1 ASN A 71 30.663 5.159 -6.680 1.00 71.43 O ATOM 1095 ND2 ASN A 71 30.060 6.062 -4.715 1.00 32.05 N ATOM 0 H ASN A 71 30.612 3.917 -2.654 1.00 53.24 H new ATOM 0 HA ASN A 71 31.697 2.652 -5.105 1.00 74.20 H new ATOM 0 HB2 ASN A 71 32.395 5.389 -3.979 1.00 61.13 H new ATOM 0 HB3 ASN A 71 32.916 4.709 -5.508 1.00 61.13 H new ATOM 0 HD21 ASN A 71 29.225 6.489 -5.116 1.00 32.05 H new ATOM 0 HD22 ASN A 71 30.272 6.188 -3.725 1.00 32.05 H new ATOM 1102 N ALA A 72 33.524 1.683 -3.758 1.00 44.54 N ATOM 1103 CA ALA A 72 34.662 1.121 -3.042 1.00 4.33 C ATOM 1104 C ALA A 72 35.941 1.891 -3.352 1.00 44.50 C ATOM 1105 O ALA A 72 36.836 1.991 -2.513 1.00 5.14 O ATOM 1106 CB ALA A 72 34.832 -0.350 -3.391 1.00 52.23 C ATOM 0 H ALA A 72 33.171 1.097 -4.515 1.00 44.54 H new ATOM 0 HA ALA A 72 34.466 1.209 -1.973 1.00 4.33 H new ATOM 0 HB1 ALA A 72 35.686 -0.756 -2.849 1.00 52.23 H new ATOM 0 HB2 ALA A 72 33.931 -0.897 -3.112 1.00 52.23 H new ATOM 0 HB3 ALA A 72 35.001 -0.452 -4.463 1.00 52.23 H new ATOM 1112 N ASP A 73 36.021 2.434 -4.562 1.00 70.31 N ATOM 1113 CA ASP A 73 37.191 3.196 -4.983 1.00 70.41 C ATOM 1114 C ASP A 73 37.427 4.385 -4.057 1.00 63.41 C ATOM 1115 O ASP A 73 38.567 4.704 -3.718 1.00 13.53 O ATOM 1116 CB ASP A 73 37.019 3.681 -6.423 1.00 52.22 C ATOM 1117 CG ASP A 73 35.623 4.207 -6.694 1.00 11.32 C ATOM 1118 OD1 ASP A 73 34.712 3.384 -6.922 1.00 32.35 O ATOM 1119 OD2 ASP A 73 35.441 5.442 -6.677 1.00 3.51 O ATOM 0 H ASP A 73 35.289 2.361 -5.269 1.00 70.31 H new ATOM 0 HA ASP A 73 38.060 2.540 -4.930 1.00 70.41 H new ATOM 0 HB2 ASP A 73 37.746 4.467 -6.628 1.00 52.22 H new ATOM 0 HB3 ASP A 73 37.234 2.861 -7.108 1.00 52.22 H new ATOM 1124 N LYS A 74 36.343 5.037 -3.652 1.00 50.22 N ATOM 1125 CA LYS A 74 36.431 6.191 -2.765 1.00 55.23 C ATOM 1126 C LYS A 74 36.217 5.778 -1.312 1.00 41.35 C ATOM 1127 O LYS A 74 36.553 6.520 -0.389 1.00 42.43 O ATOM 1128 CB LYS A 74 35.396 7.246 -3.164 1.00 2.31 C ATOM 1129 CG LYS A 74 35.653 8.612 -2.550 1.00 72.23 C ATOM 1130 CD LYS A 74 37.018 9.151 -2.942 1.00 3.43 C ATOM 1131 CE LYS A 74 37.013 10.670 -3.030 1.00 23.21 C ATOM 1132 NZ LYS A 74 36.899 11.303 -1.687 1.00 2.11 N ATOM 0 H LYS A 74 35.393 4.786 -3.924 1.00 50.22 H new ATOM 0 HA LYS A 74 37.430 6.616 -2.860 1.00 55.23 H new ATOM 0 HB2 LYS A 74 35.386 7.341 -4.250 1.00 2.31 H new ATOM 0 HB3 LYS A 74 34.406 6.903 -2.865 1.00 2.31 H new ATOM 0 HG2 LYS A 74 34.879 9.309 -2.873 1.00 72.23 H new ATOM 0 HG3 LYS A 74 35.586 8.542 -1.464 1.00 72.23 H new ATOM 0 HD2 LYS A 74 37.761 8.830 -2.211 1.00 3.43 H new ATOM 0 HD3 LYS A 74 37.314 8.731 -3.903 1.00 3.43 H new ATOM 0 HE2 LYS A 74 37.929 11.009 -3.515 1.00 23.21 H new ATOM 0 HE3 LYS A 74 36.182 10.995 -3.656 1.00 23.21 H new ATOM 0 HZ1 LYS A 74 36.899 12.338 -1.790 1.00 2.11 H new ATOM 0 HZ2 LYS A 74 36.013 11.000 -1.235 1.00 2.11 H new ATOM 0 HZ3 LYS A 74 37.705 11.014 -1.097 1.00 2.11 H new ATOM 1146 N LYS A 75 35.658 4.589 -1.116 1.00 53.22 N ATOM 1147 CA LYS A 75 35.402 4.075 0.224 1.00 13.31 C ATOM 1148 C LYS A 75 34.298 4.873 0.911 1.00 72.11 C ATOM 1149 O LYS A 75 34.421 5.245 2.079 1.00 62.22 O ATOM 1150 CB LYS A 75 36.680 4.125 1.064 1.00 12.14 C ATOM 1151 CG LYS A 75 37.921 3.682 0.310 1.00 44.11 C ATOM 1152 CD LYS A 75 38.946 3.055 1.241 1.00 53.50 C ATOM 1153 CE LYS A 75 40.172 2.577 0.479 1.00 3.22 C ATOM 1154 NZ LYS A 75 40.828 1.422 1.152 1.00 34.24 N ATOM 0 H LYS A 75 35.373 3.963 -1.869 1.00 53.22 H new ATOM 0 HA LYS A 75 35.075 3.039 0.133 1.00 13.31 H new ATOM 0 HB2 LYS A 75 36.828 5.143 1.424 1.00 12.14 H new ATOM 0 HB3 LYS A 75 36.553 3.491 1.942 1.00 12.14 H new ATOM 0 HG2 LYS A 75 37.642 2.964 -0.462 1.00 44.11 H new ATOM 0 HG3 LYS A 75 38.365 4.539 -0.197 1.00 44.11 H new ATOM 0 HD2 LYS A 75 39.246 3.782 1.996 1.00 53.50 H new ATOM 0 HD3 LYS A 75 38.494 2.215 1.769 1.00 53.50 H new ATOM 0 HE2 LYS A 75 39.882 2.291 -0.532 1.00 3.22 H new ATOM 0 HE3 LYS A 75 40.885 3.396 0.387 1.00 3.22 H new ATOM 0 HZ1 LYS A 75 41.659 1.126 0.602 1.00 34.24 H new ATOM 0 HZ2 LYS A 75 41.127 1.701 2.108 1.00 34.24 H new ATOM 0 HZ3 LYS A 75 40.156 0.631 1.217 1.00 34.24 H new ATOM 1168 N LEU A 76 33.219 5.131 0.180 1.00 11.43 N ATOM 1169 CA LEU A 76 32.092 5.884 0.720 1.00 74.11 C ATOM 1170 C LEU A 76 30.768 5.319 0.214 1.00 10.14 C ATOM 1171 O LEU A 76 30.707 4.722 -0.860 1.00 14.20 O ATOM 1172 CB LEU A 76 32.209 7.360 0.337 1.00 14.34 C ATOM 1173 CG LEU A 76 32.818 7.652 -1.034 1.00 73.05 C ATOM 1174 CD1 LEU A 76 32.015 6.969 -2.131 1.00 25.41 C ATOM 1175 CD2 LEU A 76 32.888 9.152 -1.279 1.00 11.42 C ATOM 0 H LEU A 76 33.101 4.830 -0.787 1.00 11.43 H new ATOM 0 HA LEU A 76 32.113 5.794 1.806 1.00 74.11 H new ATOM 0 HB2 LEU A 76 31.214 7.804 0.372 1.00 14.34 H new ATOM 0 HB3 LEU A 76 32.810 7.864 1.094 1.00 14.34 H new ATOM 0 HG LEU A 76 33.832 7.253 -1.051 1.00 73.05 H new ATOM 0 HD11 LEU A 76 32.463 7.188 -3.100 1.00 25.41 H new ATOM 0 HD12 LEU A 76 32.016 5.892 -1.966 1.00 25.41 H new ATOM 0 HD13 LEU A 76 30.989 7.337 -2.114 1.00 25.41 H new ATOM 0 HD21 LEU A 76 33.324 9.340 -2.260 1.00 11.42 H new ATOM 0 HD22 LEU A 76 31.884 9.574 -1.241 1.00 11.42 H new ATOM 0 HD23 LEU A 76 33.506 9.618 -0.511 1.00 11.42 H new ATOM 1187 N MET A 77 29.711 5.514 0.996 1.00 74.14 N ATOM 1188 CA MET A 77 28.387 5.027 0.625 1.00 70.21 C ATOM 1189 C MET A 77 27.304 6.009 1.060 1.00 4.32 C ATOM 1190 O MET A 77 27.241 6.402 2.225 1.00 23.32 O ATOM 1191 CB MET A 77 28.130 3.656 1.253 1.00 22.32 C ATOM 1192 CG MET A 77 26.670 3.235 1.219 1.00 12.41 C ATOM 1193 SD MET A 77 26.398 1.609 1.948 1.00 31.12 S ATOM 1194 CE MET A 77 24.611 1.506 1.889 1.00 72.43 C ATOM 0 H MET A 77 29.745 6.005 1.889 1.00 74.14 H new ATOM 0 HA MET A 77 28.353 4.934 -0.460 1.00 70.21 H new ATOM 0 HB2 MET A 77 28.727 2.909 0.731 1.00 22.32 H new ATOM 0 HB3 MET A 77 28.471 3.670 2.288 1.00 22.32 H new ATOM 0 HG2 MET A 77 26.071 3.973 1.753 1.00 12.41 H new ATOM 0 HG3 MET A 77 26.322 3.228 0.186 1.00 12.41 H new ATOM 0 HE1 MET A 77 24.245 1.014 2.790 1.00 72.43 H new ATOM 0 HE2 MET A 77 24.191 2.510 1.828 1.00 72.43 H new ATOM 0 HE3 MET A 77 24.308 0.932 1.013 1.00 72.43 H new ATOM 1204 N SER A 78 26.455 6.403 0.117 1.00 52.11 N ATOM 1205 CA SER A 78 25.377 7.343 0.403 1.00 43.23 C ATOM 1206 C SER A 78 24.020 6.733 0.064 1.00 3.43 C ATOM 1207 O SER A 78 23.855 6.098 -0.977 1.00 34.53 O ATOM 1208 CB SER A 78 25.579 8.638 -0.387 1.00 73.22 C ATOM 1209 OG SER A 78 26.850 9.205 -0.122 1.00 21.42 O ATOM 0 H SER A 78 26.492 6.086 -0.852 1.00 52.11 H new ATOM 0 HA SER A 78 25.398 7.569 1.469 1.00 43.23 H new ATOM 0 HB2 SER A 78 25.483 8.435 -1.454 1.00 73.22 H new ATOM 0 HB3 SER A 78 24.798 9.352 -0.127 1.00 73.22 H new ATOM 0 HG SER A 78 26.955 10.030 -0.640 1.00 21.42 H new ATOM 1215 N VAL A 79 23.051 6.932 0.952 1.00 2.32 N ATOM 1216 CA VAL A 79 21.708 6.404 0.749 1.00 73.22 C ATOM 1217 C VAL A 79 20.681 7.528 0.671 1.00 71.11 C ATOM 1218 O VAL A 79 20.528 8.309 1.610 1.00 31.10 O ATOM 1219 CB VAL A 79 21.308 5.436 1.878 1.00 23.24 C ATOM 1220 CG1 VAL A 79 19.967 4.785 1.575 1.00 44.01 C ATOM 1221 CG2 VAL A 79 22.387 4.383 2.083 1.00 20.05 C ATOM 0 H VAL A 79 23.172 7.455 1.819 1.00 2.32 H new ATOM 0 HA VAL A 79 21.722 5.862 -0.196 1.00 73.22 H new ATOM 0 HB VAL A 79 21.207 6.005 2.802 1.00 23.24 H new ATOM 0 HG11 VAL A 79 19.702 4.105 2.384 1.00 44.01 H new ATOM 0 HG12 VAL A 79 19.201 5.555 1.483 1.00 44.01 H new ATOM 0 HG13 VAL A 79 20.036 4.228 0.641 1.00 44.01 H new ATOM 0 HG21 VAL A 79 22.088 3.707 2.884 1.00 20.05 H new ATOM 0 HG22 VAL A 79 22.522 3.816 1.162 1.00 20.05 H new ATOM 0 HG23 VAL A 79 23.325 4.870 2.350 1.00 20.05 H new ATOM 1231 N SER A 80 19.979 7.604 -0.455 1.00 73.31 N ATOM 1232 CA SER A 80 18.968 8.635 -0.658 1.00 33.24 C ATOM 1233 C SER A 80 17.584 8.014 -0.823 1.00 60.22 C ATOM 1234 O SER A 80 17.344 7.243 -1.753 1.00 51.52 O ATOM 1235 CB SER A 80 19.310 9.480 -1.886 1.00 0.43 C ATOM 1236 OG SER A 80 19.859 8.681 -2.919 1.00 24.45 O ATOM 0 H SER A 80 20.092 6.964 -1.241 1.00 73.31 H new ATOM 0 HA SER A 80 18.957 9.276 0.223 1.00 33.24 H new ATOM 0 HB2 SER A 80 18.412 9.981 -2.248 1.00 0.43 H new ATOM 0 HB3 SER A 80 20.020 10.259 -1.609 1.00 0.43 H new ATOM 0 HG SER A 80 19.458 8.934 -3.777 1.00 24.45 H new ATOM 1242 N PHE A 81 16.677 8.355 0.086 1.00 73.21 N ATOM 1243 CA PHE A 81 15.317 7.831 0.043 1.00 74.25 C ATOM 1244 C PHE A 81 14.300 8.933 0.326 1.00 31.31 C ATOM 1245 O PHE A 81 14.565 9.853 1.099 1.00 23.04 O ATOM 1246 CB PHE A 81 15.152 6.696 1.056 1.00 51.31 C ATOM 1247 CG PHE A 81 15.808 6.974 2.378 1.00 32.23 C ATOM 1248 CD1 PHE A 81 15.298 7.940 3.230 1.00 0.22 C ATOM 1249 CD2 PHE A 81 16.935 6.269 2.769 1.00 34.52 C ATOM 1250 CE1 PHE A 81 15.899 8.198 4.448 1.00 30.10 C ATOM 1251 CE2 PHE A 81 17.540 6.521 3.986 1.00 55.52 C ATOM 1252 CZ PHE A 81 17.022 7.488 4.826 1.00 51.23 C ATOM 0 H PHE A 81 16.859 8.992 0.862 1.00 73.21 H new ATOM 0 HA PHE A 81 15.136 7.443 -0.959 1.00 74.25 H new ATOM 0 HB2 PHE A 81 14.089 6.515 1.217 1.00 51.31 H new ATOM 0 HB3 PHE A 81 15.571 5.781 0.637 1.00 51.31 H new ATOM 0 HD1 PHE A 81 14.420 8.498 2.939 1.00 0.22 H new ATOM 0 HD2 PHE A 81 17.346 5.514 2.115 1.00 34.52 H new ATOM 0 HE1 PHE A 81 15.491 8.954 5.103 1.00 30.10 H new ATOM 0 HE2 PHE A 81 18.417 5.963 4.280 1.00 55.52 H new ATOM 0 HZ PHE A 81 17.494 7.688 5.776 1.00 51.23 H new ATOM 1262 N SER A 82 13.135 8.832 -0.306 1.00 60.12 N ATOM 1263 CA SER A 82 12.079 9.822 -0.126 1.00 64.41 C ATOM 1264 C SER A 82 10.851 9.193 0.525 1.00 10.30 C ATOM 1265 O SER A 82 10.612 7.992 0.396 1.00 41.52 O ATOM 1266 CB SER A 82 11.697 10.441 -1.472 1.00 32.22 C ATOM 1267 OG SER A 82 10.393 10.993 -1.427 1.00 13.45 O ATOM 0 H SER A 82 12.898 8.075 -0.947 1.00 60.12 H new ATOM 0 HA SER A 82 12.456 10.605 0.532 1.00 64.41 H new ATOM 0 HB2 SER A 82 12.415 11.217 -1.736 1.00 32.22 H new ATOM 0 HB3 SER A 82 11.747 9.682 -2.252 1.00 32.22 H new ATOM 0 HG SER A 82 10.173 11.384 -2.298 1.00 13.45 H new ATOM 1273 N ASP A 83 10.075 10.014 1.225 1.00 65.11 N ATOM 1274 CA ASP A 83 8.871 9.540 1.896 1.00 14.42 C ATOM 1275 C ASP A 83 9.001 8.068 2.272 1.00 72.44 C ATOM 1276 O ASP A 83 8.564 7.187 1.530 1.00 51.11 O ATOM 1277 CB ASP A 83 7.648 9.745 1.000 1.00 0.02 C ATOM 1278 CG ASP A 83 7.155 11.179 1.012 1.00 62.33 C ATOM 1279 OD1 ASP A 83 7.728 12.009 0.276 1.00 42.34 O ATOM 1280 OD2 ASP A 83 6.196 11.470 1.756 1.00 20.11 O ATOM 0 H ASP A 83 10.259 11.010 1.342 1.00 65.11 H new ATOM 0 HA ASP A 83 8.743 10.119 2.811 1.00 14.42 H new ATOM 0 HB2 ASP A 83 7.898 9.458 -0.022 1.00 0.02 H new ATOM 0 HB3 ASP A 83 6.845 9.085 1.329 1.00 0.02 H new ATOM 1285 N ILE A 84 9.605 7.808 3.426 1.00 30.22 N ATOM 1286 CA ILE A 84 9.792 6.442 3.899 1.00 25.13 C ATOM 1287 C ILE A 84 9.350 6.298 5.351 1.00 30.54 C ATOM 1288 O ILE A 84 9.239 7.285 6.078 1.00 21.14 O ATOM 1289 CB ILE A 84 11.263 6.000 3.776 1.00 12.31 C ATOM 1290 CG1 ILE A 84 12.138 6.785 4.756 1.00 54.33 C ATOM 1291 CG2 ILE A 84 11.755 6.190 2.349 1.00 71.20 C ATOM 1292 CD1 ILE A 84 13.193 5.940 5.434 1.00 40.30 C ATOM 0 H ILE A 84 9.973 8.525 4.051 1.00 30.22 H new ATOM 0 HA ILE A 84 9.175 5.802 3.268 1.00 25.13 H new ATOM 0 HB ILE A 84 11.331 4.941 4.025 1.00 12.31 H new ATOM 0 HG12 ILE A 84 12.625 7.601 4.222 1.00 54.33 H new ATOM 0 HG13 ILE A 84 11.502 7.237 5.517 1.00 54.33 H new ATOM 0 HG21 ILE A 84 12.796 5.874 2.278 1.00 71.20 H new ATOM 0 HG22 ILE A 84 11.146 5.591 1.672 1.00 71.20 H new ATOM 0 HG23 ILE A 84 11.676 7.242 2.074 1.00 71.20 H new ATOM 0 HD11 ILE A 84 13.775 6.562 6.114 1.00 40.30 H new ATOM 0 HD12 ILE A 84 12.712 5.139 5.996 1.00 40.30 H new ATOM 0 HD13 ILE A 84 13.853 5.509 4.681 1.00 40.30 H new ATOM 1304 N ASP A 85 9.100 5.061 5.768 1.00 62.04 N ATOM 1305 CA ASP A 85 8.673 4.786 7.134 1.00 15.15 C ATOM 1306 C ASP A 85 9.858 4.375 8.002 1.00 32.14 C ATOM 1307 O ASP A 85 10.890 3.940 7.493 1.00 31.52 O ATOM 1308 CB ASP A 85 7.609 3.687 7.147 1.00 22.35 C ATOM 1309 CG ASP A 85 6.672 3.802 8.334 1.00 62.33 C ATOM 1310 OD1 ASP A 85 7.094 3.459 9.458 1.00 71.43 O ATOM 1311 OD2 ASP A 85 5.517 4.234 8.138 1.00 72.21 O ATOM 0 H ASP A 85 9.186 4.233 5.179 1.00 62.04 H new ATOM 0 HA ASP A 85 8.245 5.700 7.545 1.00 15.15 H new ATOM 0 HB2 ASP A 85 7.030 3.735 6.225 1.00 22.35 H new ATOM 0 HB3 ASP A 85 8.097 2.713 7.166 1.00 22.35 H new ATOM 1316 N GLU A 86 9.701 4.517 9.315 1.00 45.52 N ATOM 1317 CA GLU A 86 10.760 4.162 10.253 1.00 42.45 C ATOM 1318 C GLU A 86 11.026 2.660 10.230 1.00 72.22 C ATOM 1319 O GLU A 86 12.123 2.208 10.556 1.00 75.14 O ATOM 1320 CB GLU A 86 10.386 4.604 11.669 1.00 25.11 C ATOM 1321 CG GLU A 86 9.135 3.930 12.207 1.00 64.23 C ATOM 1322 CD GLU A 86 8.634 4.567 13.488 1.00 25.55 C ATOM 1323 OE1 GLU A 86 9.154 4.216 14.568 1.00 22.03 O ATOM 1324 OE2 GLU A 86 7.722 5.416 13.411 1.00 43.10 O ATOM 0 H GLU A 86 8.852 4.875 9.752 1.00 45.52 H new ATOM 0 HA GLU A 86 11.670 4.679 9.947 1.00 42.45 H new ATOM 0 HB2 GLU A 86 11.219 4.392 12.339 1.00 25.11 H new ATOM 0 HB3 GLU A 86 10.238 5.684 11.676 1.00 25.11 H new ATOM 0 HG2 GLU A 86 8.350 3.975 11.452 1.00 64.23 H new ATOM 0 HG3 GLU A 86 9.344 2.876 12.388 1.00 64.23 H new ATOM 1331 N ASN A 87 10.013 1.892 9.843 1.00 75.42 N ATOM 1332 CA ASN A 87 10.135 0.440 9.778 1.00 24.24 C ATOM 1333 C ASN A 87 11.242 0.030 8.811 1.00 20.14 C ATOM 1334 O ASN A 87 12.101 -0.786 9.145 1.00 11.22 O ATOM 1335 CB ASN A 87 8.808 -0.186 9.347 1.00 72.52 C ATOM 1336 CG ASN A 87 8.728 -1.663 9.684 1.00 44.12 C ATOM 1337 OD1 ASN A 87 9.398 -2.489 9.064 1.00 73.43 O ATOM 1338 ND2 ASN A 87 7.907 -2.001 10.671 1.00 51.11 N ATOM 0 H ASN A 87 9.098 2.251 9.570 1.00 75.42 H new ATOM 0 HA ASN A 87 10.393 0.077 10.773 1.00 24.24 H new ATOM 0 HB2 ASN A 87 7.987 0.340 9.834 1.00 72.52 H new ATOM 0 HB3 ASN A 87 8.679 -0.054 8.273 1.00 72.52 H new ATOM 0 HD21 ASN A 87 7.812 -2.979 10.943 1.00 51.11 H new ATOM 0 HD22 ASN A 87 7.371 -1.282 11.157 1.00 51.11 H new ATOM 1345 N MET A 88 11.214 0.602 7.612 1.00 5.23 N ATOM 1346 CA MET A 88 12.216 0.298 6.597 1.00 25.34 C ATOM 1347 C MET A 88 13.509 1.063 6.863 1.00 22.41 C ATOM 1348 O MET A 88 14.603 0.570 6.584 1.00 13.20 O ATOM 1349 CB MET A 88 11.684 0.641 5.205 1.00 12.20 C ATOM 1350 CG MET A 88 11.340 2.112 5.032 1.00 63.25 C ATOM 1351 SD MET A 88 10.318 2.420 3.578 1.00 22.44 S ATOM 1352 CE MET A 88 11.098 1.339 2.381 1.00 11.51 C ATOM 0 H MET A 88 10.509 1.278 7.319 1.00 5.23 H new ATOM 0 HA MET A 88 12.430 -0.770 6.643 1.00 25.34 H new ATOM 0 HB2 MET A 88 12.429 0.360 4.461 1.00 12.20 H new ATOM 0 HB3 MET A 88 10.795 0.042 5.007 1.00 12.20 H new ATOM 0 HG2 MET A 88 10.817 2.466 5.920 1.00 63.25 H new ATOM 0 HG3 MET A 88 12.261 2.690 4.953 1.00 63.25 H new ATOM 0 HE1 MET A 88 10.848 1.671 1.373 1.00 11.51 H new ATOM 0 HE2 MET A 88 12.179 1.368 2.515 1.00 11.51 H new ATOM 0 HE3 MET A 88 10.742 0.319 2.526 1.00 11.51 H new ATOM 1362 N LYS A 89 13.377 2.269 7.404 1.00 41.14 N ATOM 1363 CA LYS A 89 14.534 3.102 7.708 1.00 2.51 C ATOM 1364 C LYS A 89 15.568 2.324 8.516 1.00 70.05 C ATOM 1365 O LYS A 89 16.772 2.459 8.297 1.00 1.41 O ATOM 1366 CB LYS A 89 14.101 4.350 8.482 1.00 32.40 C ATOM 1367 CG LYS A 89 15.230 5.336 8.728 1.00 74.33 C ATOM 1368 CD LYS A 89 14.734 6.586 9.435 1.00 73.10 C ATOM 1369 CE LYS A 89 15.830 7.634 9.548 1.00 50.22 C ATOM 1370 NZ LYS A 89 16.106 8.292 8.240 1.00 34.43 N ATOM 0 H LYS A 89 12.479 2.692 7.641 1.00 41.14 H new ATOM 0 HA LYS A 89 14.989 3.406 6.765 1.00 2.51 H new ATOM 0 HB2 LYS A 89 13.306 4.851 7.930 1.00 32.40 H new ATOM 0 HB3 LYS A 89 13.681 4.045 9.440 1.00 32.40 H new ATOM 0 HG2 LYS A 89 16.005 4.860 9.329 1.00 74.33 H new ATOM 0 HG3 LYS A 89 15.687 5.612 7.778 1.00 74.33 H new ATOM 0 HD2 LYS A 89 13.887 7.002 8.890 1.00 73.10 H new ATOM 0 HD3 LYS A 89 14.375 6.324 10.430 1.00 73.10 H new ATOM 0 HE2 LYS A 89 15.538 8.388 10.279 1.00 50.22 H new ATOM 0 HE3 LYS A 89 16.742 7.167 9.919 1.00 50.22 H new ATOM 0 HZ1 LYS A 89 16.785 9.068 8.378 1.00 34.43 H new ATOM 0 HZ2 LYS A 89 16.506 7.596 7.579 1.00 34.43 H new ATOM 0 HZ3 LYS A 89 15.220 8.672 7.849 1.00 34.43 H new ATOM 1384 N LYS A 90 15.091 1.507 9.448 1.00 15.25 N ATOM 1385 CA LYS A 90 15.972 0.704 10.287 1.00 4.21 C ATOM 1386 C LYS A 90 16.853 -0.205 9.436 1.00 22.12 C ATOM 1387 O LYS A 90 18.028 -0.411 9.741 1.00 0.24 O ATOM 1388 CB LYS A 90 15.152 -0.136 11.268 1.00 14.23 C ATOM 1389 CG LYS A 90 14.459 -1.323 10.621 1.00 11.34 C ATOM 1390 CD LYS A 90 15.292 -2.588 10.742 1.00 53.13 C ATOM 1391 CE LYS A 90 15.347 -3.084 12.178 1.00 33.53 C ATOM 1392 NZ LYS A 90 16.715 -3.535 12.557 1.00 14.24 N ATOM 0 H LYS A 90 14.097 1.383 9.642 1.00 15.25 H new ATOM 0 HA LYS A 90 16.614 1.382 10.849 1.00 4.21 H new ATOM 0 HB2 LYS A 90 15.807 -0.497 12.061 1.00 14.23 H new ATOM 0 HB3 LYS A 90 14.402 0.500 11.739 1.00 14.23 H new ATOM 0 HG2 LYS A 90 13.488 -1.479 11.091 1.00 11.34 H new ATOM 0 HG3 LYS A 90 14.273 -1.108 9.569 1.00 11.34 H new ATOM 0 HD2 LYS A 90 14.871 -3.365 10.104 1.00 53.13 H new ATOM 0 HD3 LYS A 90 16.303 -2.395 10.384 1.00 53.13 H new ATOM 0 HE2 LYS A 90 15.028 -2.287 12.850 1.00 33.53 H new ATOM 0 HE3 LYS A 90 14.645 -3.908 12.305 1.00 33.53 H new ATOM 0 HZ1 LYS A 90 16.711 -3.866 13.543 1.00 14.24 H new ATOM 0 HZ2 LYS A 90 17.010 -4.313 11.932 1.00 14.24 H new ATOM 0 HZ3 LYS A 90 17.381 -2.742 12.461 1.00 14.24 H new ATOM 1406 N VAL A 91 16.278 -0.746 8.367 1.00 65.23 N ATOM 1407 CA VAL A 91 17.012 -1.631 7.470 1.00 22.41 C ATOM 1408 C VAL A 91 18.014 -0.852 6.627 1.00 45.53 C ATOM 1409 O VAL A 91 19.115 -1.331 6.351 1.00 12.21 O ATOM 1410 CB VAL A 91 16.059 -2.399 6.535 1.00 32.33 C ATOM 1411 CG1 VAL A 91 14.683 -2.534 7.169 1.00 14.41 C ATOM 1412 CG2 VAL A 91 15.967 -1.708 5.184 1.00 41.45 C ATOM 0 H VAL A 91 15.306 -0.587 8.101 1.00 65.23 H new ATOM 0 HA VAL A 91 17.547 -2.344 8.098 1.00 22.41 H new ATOM 0 HB VAL A 91 16.460 -3.400 6.378 1.00 32.33 H new ATOM 0 HG11 VAL A 91 14.023 -3.079 6.494 1.00 14.41 H new ATOM 0 HG12 VAL A 91 14.768 -3.077 8.110 1.00 14.41 H new ATOM 0 HG13 VAL A 91 14.270 -1.543 7.357 1.00 14.41 H new ATOM 0 HG21 VAL A 91 15.290 -2.264 4.536 1.00 41.45 H new ATOM 0 HG22 VAL A 91 15.590 -0.694 5.319 1.00 41.45 H new ATOM 0 HG23 VAL A 91 16.956 -1.669 4.727 1.00 41.45 H new ATOM 1422 N ILE A 92 17.627 0.353 6.220 1.00 31.32 N ATOM 1423 CA ILE A 92 18.493 1.200 5.409 1.00 35.13 C ATOM 1424 C ILE A 92 19.702 1.674 6.208 1.00 63.34 C ATOM 1425 O ILE A 92 20.837 1.606 5.736 1.00 63.45 O ATOM 1426 CB ILE A 92 17.734 2.427 4.871 1.00 43.44 C ATOM 1427 CG1 ILE A 92 16.340 2.022 4.388 1.00 63.43 C ATOM 1428 CG2 ILE A 92 18.520 3.084 3.745 1.00 24.43 C ATOM 1429 CD1 ILE A 92 15.661 3.079 3.546 1.00 32.01 C ATOM 0 H ILE A 92 16.720 0.764 6.439 1.00 31.32 H new ATOM 0 HA ILE A 92 18.831 0.594 4.568 1.00 35.13 H new ATOM 0 HB ILE A 92 17.622 3.149 5.680 1.00 43.44 H new ATOM 0 HG12 ILE A 92 16.418 1.102 3.808 1.00 63.43 H new ATOM 0 HG13 ILE A 92 15.715 1.801 5.253 1.00 63.43 H new ATOM 0 HG21 ILE A 92 17.971 3.950 3.375 1.00 24.43 H new ATOM 0 HG22 ILE A 92 19.493 3.404 4.119 1.00 24.43 H new ATOM 0 HG23 ILE A 92 18.660 2.369 2.934 1.00 24.43 H new ATOM 0 HD11 ILE A 92 14.677 2.723 3.239 1.00 32.01 H new ATOM 0 HD12 ILE A 92 15.550 3.993 4.129 1.00 32.01 H new ATOM 0 HD13 ILE A 92 16.265 3.283 2.662 1.00 32.01 H new ATOM 1441 N LYS A 93 19.452 2.153 7.422 1.00 64.35 N ATOM 1442 CA LYS A 93 20.520 2.636 8.289 1.00 65.52 C ATOM 1443 C LYS A 93 21.455 1.497 8.686 1.00 2.40 C ATOM 1444 O LYS A 93 22.675 1.658 8.694 1.00 2.02 O ATOM 1445 CB LYS A 93 19.932 3.287 9.542 1.00 2.52 C ATOM 1446 CG LYS A 93 20.872 4.275 10.212 1.00 31.13 C ATOM 1447 CD LYS A 93 20.125 5.206 11.152 1.00 34.02 C ATOM 1448 CE LYS A 93 21.082 6.074 11.954 1.00 12.41 C ATOM 1449 NZ LYS A 93 20.528 6.421 13.292 1.00 13.21 N ATOM 0 H LYS A 93 18.518 2.217 7.828 1.00 64.35 H new ATOM 0 HA LYS A 93 21.095 3.379 7.737 1.00 65.52 H new ATOM 0 HB2 LYS A 93 19.008 3.801 9.275 1.00 2.52 H new ATOM 0 HB3 LYS A 93 19.668 2.507 10.257 1.00 2.52 H new ATOM 0 HG2 LYS A 93 21.636 3.732 10.768 1.00 31.13 H new ATOM 0 HG3 LYS A 93 21.387 4.861 9.451 1.00 31.13 H new ATOM 0 HD2 LYS A 93 19.451 5.841 10.577 1.00 34.02 H new ATOM 0 HD3 LYS A 93 19.507 4.619 11.832 1.00 34.02 H new ATOM 0 HE2 LYS A 93 22.030 5.550 12.078 1.00 12.41 H new ATOM 0 HE3 LYS A 93 21.293 6.989 11.400 1.00 12.41 H new ATOM 0 HZ1 LYS A 93 21.210 7.013 13.807 1.00 13.21 H new ATOM 0 HZ2 LYS A 93 19.636 6.943 13.174 1.00 13.21 H new ATOM 0 HZ3 LYS A 93 20.350 5.549 13.831 1.00 13.21 H new ATOM 1463 N ALA A 94 20.874 0.348 9.013 1.00 24.33 N ATOM 1464 CA ALA A 94 21.656 -0.818 9.408 1.00 50.22 C ATOM 1465 C ALA A 94 22.523 -1.313 8.255 1.00 1.13 C ATOM 1466 O ALA A 94 23.652 -1.761 8.461 1.00 74.10 O ATOM 1467 CB ALA A 94 20.738 -1.929 9.895 1.00 14.30 C ATOM 0 H ALA A 94 19.865 0.199 9.012 1.00 24.33 H new ATOM 0 HA ALA A 94 22.316 -0.523 10.224 1.00 50.22 H new ATOM 0 HB1 ALA A 94 21.335 -2.793 10.186 1.00 14.30 H new ATOM 0 HB2 ALA A 94 20.165 -1.578 10.753 1.00 14.30 H new ATOM 0 HB3 ALA A 94 20.055 -2.214 9.095 1.00 14.30 H new ATOM 1473 N THR A 95 21.989 -1.230 7.041 1.00 71.14 N ATOM 1474 CA THR A 95 22.713 -1.672 5.855 1.00 1.55 C ATOM 1475 C THR A 95 23.899 -0.759 5.564 1.00 54.42 C ATOM 1476 O THR A 95 25.000 -1.228 5.277 1.00 14.24 O ATOM 1477 CB THR A 95 21.795 -1.713 4.619 1.00 2.12 C ATOM 1478 OG1 THR A 95 20.828 -2.759 4.762 1.00 12.21 O ATOM 1479 CG2 THR A 95 22.605 -1.934 3.351 1.00 64.42 C ATOM 0 H THR A 95 21.057 -0.861 6.853 1.00 71.14 H new ATOM 0 HA THR A 95 23.075 -2.679 6.062 1.00 1.55 H new ATOM 0 HB THR A 95 21.283 -0.754 4.542 1.00 2.12 H new ATOM 0 HG1 THR A 95 21.285 -3.602 4.962 1.00 12.21 H new ATOM 0 HG21 THR A 95 21.935 -1.959 2.491 1.00 64.42 H new ATOM 0 HG22 THR A 95 23.320 -1.121 3.230 1.00 64.42 H new ATOM 0 HG23 THR A 95 23.141 -2.881 3.422 1.00 64.42 H new ATOM 1487 N ALA A 96 23.666 0.548 5.639 1.00 21.31 N ATOM 1488 CA ALA A 96 24.716 1.526 5.386 1.00 42.33 C ATOM 1489 C ALA A 96 25.798 1.461 6.458 1.00 22.33 C ATOM 1490 O ALA A 96 26.988 1.416 6.149 1.00 24.14 O ATOM 1491 CB ALA A 96 24.126 2.927 5.314 1.00 61.14 C ATOM 0 H ALA A 96 22.760 0.953 5.873 1.00 21.31 H new ATOM 0 HA ALA A 96 25.177 1.287 4.427 1.00 42.33 H new ATOM 0 HB1 ALA A 96 24.922 3.648 5.125 1.00 61.14 H new ATOM 0 HB2 ALA A 96 23.395 2.973 4.507 1.00 61.14 H new ATOM 0 HB3 ALA A 96 23.638 3.165 6.259 1.00 61.14 H new ATOM 1497 N GLU A 97 25.376 1.456 7.719 1.00 50.21 N ATOM 1498 CA GLU A 97 26.311 1.398 8.837 1.00 73.34 C ATOM 1499 C GLU A 97 27.092 0.087 8.824 1.00 3.12 C ATOM 1500 O GLU A 97 28.259 0.043 9.213 1.00 25.04 O ATOM 1501 CB GLU A 97 25.563 1.546 10.164 1.00 44.05 C ATOM 1502 CG GLU A 97 24.929 0.255 10.653 1.00 65.33 C ATOM 1503 CD GLU A 97 25.888 -0.595 11.464 1.00 1.12 C ATOM 1504 OE1 GLU A 97 26.752 -0.018 12.157 1.00 21.31 O ATOM 1505 OE2 GLU A 97 25.774 -1.837 11.406 1.00 34.31 O ATOM 0 H GLU A 97 24.394 1.491 7.992 1.00 50.21 H new ATOM 0 HA GLU A 97 27.016 2.223 8.732 1.00 73.34 H new ATOM 0 HB2 GLU A 97 26.255 1.911 10.923 1.00 44.05 H new ATOM 0 HB3 GLU A 97 24.786 2.302 10.051 1.00 44.05 H new ATOM 0 HG2 GLU A 97 24.055 0.491 11.261 1.00 65.33 H new ATOM 0 HG3 GLU A 97 24.576 -0.319 9.796 1.00 65.33 H new ATOM 1512 N LYS A 98 26.440 -0.980 8.375 1.00 51.43 N ATOM 1513 CA LYS A 98 27.071 -2.292 8.310 1.00 25.20 C ATOM 1514 C LYS A 98 28.321 -2.252 7.436 1.00 20.31 C ATOM 1515 O LYS A 98 29.326 -2.893 7.744 1.00 45.13 O ATOM 1516 CB LYS A 98 26.087 -3.328 7.763 1.00 32.33 C ATOM 1517 CG LYS A 98 26.670 -4.727 7.660 1.00 4.20 C ATOM 1518 CD LYS A 98 26.466 -5.513 8.944 1.00 1.44 C ATOM 1519 CE LYS A 98 25.089 -6.157 8.991 1.00 51.53 C ATOM 1520 NZ LYS A 98 24.935 -7.052 10.170 1.00 32.24 N ATOM 0 H LYS A 98 25.473 -0.961 8.050 1.00 51.43 H new ATOM 0 HA LYS A 98 27.364 -2.577 9.321 1.00 25.20 H new ATOM 0 HB2 LYS A 98 25.208 -3.357 8.407 1.00 32.33 H new ATOM 0 HB3 LYS A 98 25.750 -3.011 6.776 1.00 32.33 H new ATOM 0 HG2 LYS A 98 26.202 -5.257 6.830 1.00 4.20 H new ATOM 0 HG3 LYS A 98 27.735 -4.663 7.437 1.00 4.20 H new ATOM 0 HD2 LYS A 98 27.232 -6.284 9.025 1.00 1.44 H new ATOM 0 HD3 LYS A 98 26.588 -4.850 9.801 1.00 1.44 H new ATOM 0 HE2 LYS A 98 24.326 -5.380 9.023 1.00 51.53 H new ATOM 0 HE3 LYS A 98 24.924 -6.728 8.077 1.00 51.53 H new ATOM 0 HZ1 LYS A 98 23.983 -7.471 10.166 1.00 32.24 H new ATOM 0 HZ2 LYS A 98 25.647 -7.809 10.127 1.00 32.24 H new ATOM 0 HZ3 LYS A 98 25.067 -6.502 11.043 1.00 32.24 H new ATOM 1534 N PHE A 99 28.251 -1.495 6.346 1.00 5.14 N ATOM 1535 CA PHE A 99 29.378 -1.371 5.428 1.00 33.13 C ATOM 1536 C PHE A 99 30.560 -0.686 6.107 1.00 23.53 C ATOM 1537 O PHE A 99 31.718 -0.974 5.802 1.00 10.24 O ATOM 1538 CB PHE A 99 28.964 -0.584 4.183 1.00 10.54 C ATOM 1539 CG PHE A 99 28.444 -1.449 3.072 1.00 62.34 C ATOM 1540 CD1 PHE A 99 29.316 -2.172 2.273 1.00 21.45 C ATOM 1541 CD2 PHE A 99 27.084 -1.541 2.825 1.00 51.42 C ATOM 1542 CE1 PHE A 99 28.840 -2.969 1.249 1.00 24.13 C ATOM 1543 CE2 PHE A 99 26.602 -2.336 1.802 1.00 23.22 C ATOM 1544 CZ PHE A 99 27.482 -3.052 1.014 1.00 32.21 C ATOM 0 H PHE A 99 27.426 -0.958 6.077 1.00 5.14 H new ATOM 0 HA PHE A 99 29.684 -2.374 5.130 1.00 33.13 H new ATOM 0 HB2 PHE A 99 28.197 0.139 4.459 1.00 10.54 H new ATOM 0 HB3 PHE A 99 29.821 -0.017 3.820 1.00 10.54 H new ATOM 0 HD1 PHE A 99 30.379 -2.112 2.453 1.00 21.45 H new ATOM 0 HD2 PHE A 99 26.392 -0.985 3.439 1.00 51.42 H new ATOM 0 HE1 PHE A 99 29.530 -3.527 0.633 1.00 24.13 H new ATOM 0 HE2 PHE A 99 25.539 -2.397 1.619 1.00 23.22 H new ATOM 0 HZ PHE A 99 27.108 -3.676 0.215 1.00 32.21 H new ATOM 1554 N LYS A 100 30.260 0.222 7.030 1.00 64.33 N ATOM 1555 CA LYS A 100 31.297 0.948 7.754 1.00 55.41 C ATOM 1556 C LYS A 100 32.177 -0.009 8.550 1.00 21.23 C ATOM 1557 O LYS A 100 33.355 0.262 8.780 1.00 32.23 O ATOM 1558 CB LYS A 100 30.664 1.978 8.693 1.00 24.24 C ATOM 1559 CG LYS A 100 31.497 3.236 8.866 1.00 44.10 C ATOM 1560 CD LYS A 100 32.403 3.143 10.083 1.00 72.12 C ATOM 1561 CE LYS A 100 33.780 3.721 9.798 1.00 45.11 C ATOM 1562 NZ LYS A 100 33.989 5.024 10.489 1.00 61.31 N ATOM 0 H LYS A 100 29.307 0.473 7.294 1.00 64.33 H new ATOM 0 HA LYS A 100 31.921 1.464 7.025 1.00 55.41 H new ATOM 0 HB2 LYS A 100 29.682 2.253 8.308 1.00 24.24 H new ATOM 0 HB3 LYS A 100 30.507 1.519 9.669 1.00 24.24 H new ATOM 0 HG2 LYS A 100 32.101 3.399 7.973 1.00 44.10 H new ATOM 0 HG3 LYS A 100 30.838 4.099 8.967 1.00 44.10 H new ATOM 0 HD2 LYS A 100 31.949 3.677 10.918 1.00 72.12 H new ATOM 0 HD3 LYS A 100 32.500 2.101 10.387 1.00 72.12 H new ATOM 0 HE2 LYS A 100 34.544 3.013 10.119 1.00 45.11 H new ATOM 0 HE3 LYS A 100 33.902 3.856 8.723 1.00 45.11 H new ATOM 0 HZ1 LYS A 100 34.939 5.385 10.269 1.00 61.31 H new ATOM 0 HZ2 LYS A 100 33.275 5.707 10.164 1.00 61.31 H new ATOM 0 HZ3 LYS A 100 33.898 4.891 11.516 1.00 61.31 H new ATOM 1576 N ASN A 101 31.598 -1.130 8.967 1.00 31.44 N ATOM 1577 CA ASN A 101 32.331 -2.129 9.737 1.00 10.24 C ATOM 1578 C ASN A 101 33.483 -2.707 8.921 1.00 73.40 C ATOM 1579 O ASN A 101 34.394 -3.330 9.466 1.00 32.45 O ATOM 1580 CB ASN A 101 31.391 -3.252 10.181 1.00 3.45 C ATOM 1581 CG ASN A 101 30.145 -2.725 10.868 1.00 64.44 C ATOM 1582 OD1 ASN A 101 30.132 -1.607 11.381 1.00 12.34 O ATOM 1583 ND2 ASN A 101 29.091 -3.532 10.879 1.00 31.40 N ATOM 0 H ASN A 101 30.623 -1.370 8.785 1.00 31.44 H new ATOM 0 HA ASN A 101 32.744 -1.640 10.619 1.00 10.24 H new ATOM 0 HB2 ASN A 101 31.101 -3.844 9.313 1.00 3.45 H new ATOM 0 HB3 ASN A 101 31.922 -3.920 10.859 1.00 3.45 H new ATOM 0 HD21 ASN A 101 28.224 -3.233 11.326 1.00 31.40 H new ATOM 0 HD22 ASN A 101 29.148 -4.451 10.441 1.00 31.40 H new ATOM 1590 N LYS A 102 33.436 -2.497 7.610 1.00 53.40 N ATOM 1591 CA LYS A 102 34.475 -2.995 6.717 1.00 50.43 C ATOM 1592 C LYS A 102 35.436 -1.877 6.324 1.00 61.21 C ATOM 1593 O LYS A 102 36.470 -2.124 5.705 1.00 4.21 O ATOM 1594 CB LYS A 102 33.848 -3.607 5.462 1.00 13.32 C ATOM 1595 CG LYS A 102 34.756 -4.591 4.746 1.00 23.03 C ATOM 1596 CD LYS A 102 34.811 -5.926 5.469 1.00 25.42 C ATOM 1597 CE LYS A 102 36.133 -6.638 5.225 1.00 62.32 C ATOM 1598 NZ LYS A 102 36.205 -7.221 3.856 1.00 14.12 N ATOM 0 H LYS A 102 32.688 -1.985 7.142 1.00 53.40 H new ATOM 0 HA LYS A 102 35.037 -3.764 7.247 1.00 50.43 H new ATOM 0 HB2 LYS A 102 32.923 -4.114 5.738 1.00 13.32 H new ATOM 0 HB3 LYS A 102 33.579 -2.806 4.773 1.00 13.32 H new ATOM 0 HG2 LYS A 102 34.399 -4.742 3.727 1.00 23.03 H new ATOM 0 HG3 LYS A 102 35.760 -4.174 4.673 1.00 23.03 H new ATOM 0 HD2 LYS A 102 34.674 -5.768 6.539 1.00 25.42 H new ATOM 0 HD3 LYS A 102 33.989 -6.557 5.132 1.00 25.42 H new ATOM 0 HE2 LYS A 102 36.955 -5.936 5.364 1.00 62.32 H new ATOM 0 HE3 LYS A 102 36.261 -7.429 5.964 1.00 62.32 H new ATOM 0 HZ1 LYS A 102 37.121 -7.697 3.729 1.00 14.12 H new ATOM 0 HZ2 LYS A 102 35.436 -7.910 3.731 1.00 14.12 H new ATOM 0 HZ3 LYS A 102 36.108 -6.463 3.150 1.00 14.12 H new ATOM 1612 N GLY A 103 35.088 -0.647 6.689 1.00 14.01 N ATOM 1613 CA GLY A 103 35.931 0.489 6.367 1.00 10.32 C ATOM 1614 C GLY A 103 35.399 1.293 5.197 1.00 64.20 C ATOM 1615 O GLY A 103 36.080 1.452 4.184 1.00 42.24 O ATOM 0 H GLY A 103 34.237 -0.417 7.202 1.00 14.01 H new ATOM 0 HA2 GLY A 103 36.013 1.136 7.241 1.00 10.32 H new ATOM 0 HA3 GLY A 103 36.936 0.137 6.135 1.00 10.32 H new ATOM 1619 N PHE A 104 34.179 1.799 5.335 1.00 54.40 N ATOM 1620 CA PHE A 104 33.555 2.589 4.279 1.00 34.44 C ATOM 1621 C PHE A 104 32.677 3.689 4.869 1.00 32.53 C ATOM 1622 O PHE A 104 31.821 3.429 5.716 1.00 43.40 O ATOM 1623 CB PHE A 104 32.719 1.688 3.367 1.00 42.55 C ATOM 1624 CG PHE A 104 33.524 0.628 2.671 1.00 31.23 C ATOM 1625 CD1 PHE A 104 33.815 -0.568 3.307 1.00 33.24 C ATOM 1626 CD2 PHE A 104 33.990 0.827 1.382 1.00 71.03 C ATOM 1627 CE1 PHE A 104 34.555 -1.547 2.670 1.00 14.44 C ATOM 1628 CE2 PHE A 104 34.730 -0.148 0.740 1.00 52.25 C ATOM 1629 CZ PHE A 104 35.014 -1.336 1.385 1.00 14.50 C ATOM 0 H PHE A 104 33.602 1.677 6.167 1.00 54.40 H new ATOM 0 HA PHE A 104 34.346 3.056 3.692 1.00 34.44 H new ATOM 0 HB2 PHE A 104 31.938 1.210 3.958 1.00 42.55 H new ATOM 0 HB3 PHE A 104 32.220 2.304 2.619 1.00 42.55 H new ATOM 0 HD1 PHE A 104 33.459 -0.738 4.313 1.00 33.24 H new ATOM 0 HD2 PHE A 104 33.773 1.754 0.873 1.00 71.03 H new ATOM 0 HE1 PHE A 104 34.774 -2.475 3.177 1.00 14.44 H new ATOM 0 HE2 PHE A 104 35.086 0.019 -0.266 1.00 52.25 H new ATOM 0 HZ PHE A 104 35.594 -2.098 0.885 1.00 14.50 H new ATOM 1639 N LYS A 105 32.896 4.918 4.416 1.00 15.32 N ATOM 1640 CA LYS A 105 32.126 6.059 4.897 1.00 54.51 C ATOM 1641 C LYS A 105 30.633 5.845 4.665 1.00 43.50 C ATOM 1642 O LYS A 105 30.230 5.232 3.677 1.00 61.31 O ATOM 1643 CB LYS A 105 32.583 7.341 4.196 1.00 32.12 C ATOM 1644 CG LYS A 105 31.764 8.564 4.571 1.00 41.23 C ATOM 1645 CD LYS A 105 31.949 8.933 6.033 1.00 25.11 C ATOM 1646 CE LYS A 105 33.229 9.726 6.250 1.00 22.20 C ATOM 1647 NZ LYS A 105 33.453 10.034 7.690 1.00 44.14 N ATOM 0 H LYS A 105 33.601 5.150 3.716 1.00 15.32 H new ATOM 0 HA LYS A 105 32.299 6.156 5.969 1.00 54.51 H new ATOM 0 HB2 LYS A 105 33.629 7.526 4.440 1.00 32.12 H new ATOM 0 HB3 LYS A 105 32.529 7.194 3.117 1.00 32.12 H new ATOM 0 HG2 LYS A 105 32.057 9.405 3.943 1.00 41.23 H new ATOM 0 HG3 LYS A 105 30.709 8.371 4.374 1.00 41.23 H new ATOM 0 HD2 LYS A 105 31.095 9.519 6.372 1.00 25.11 H new ATOM 0 HD3 LYS A 105 31.974 8.027 6.638 1.00 25.11 H new ATOM 0 HE2 LYS A 105 34.077 9.160 5.863 1.00 22.20 H new ATOM 0 HE3 LYS A 105 33.181 10.656 5.683 1.00 22.20 H new ATOM 0 HZ1 LYS A 105 34.335 10.575 7.796 1.00 44.14 H new ATOM 0 HZ2 LYS A 105 32.656 10.596 8.053 1.00 44.14 H new ATOM 0 HZ3 LYS A 105 33.524 9.147 8.228 1.00 44.14 H new ATOM 1661 N VAL A 106 29.817 6.357 5.581 1.00 22.23 N ATOM 1662 CA VAL A 106 28.369 6.224 5.475 1.00 62.20 C ATOM 1663 C VAL A 106 27.688 7.588 5.504 1.00 65.44 C ATOM 1664 O VAL A 106 27.907 8.382 6.418 1.00 62.24 O ATOM 1665 CB VAL A 106 27.800 5.354 6.612 1.00 4.41 C ATOM 1666 CG1 VAL A 106 26.370 4.940 6.303 1.00 20.40 C ATOM 1667 CG2 VAL A 106 28.680 4.135 6.841 1.00 63.22 C ATOM 0 H VAL A 106 30.134 6.868 6.405 1.00 22.23 H new ATOM 0 HA VAL A 106 28.165 5.739 4.520 1.00 62.20 H new ATOM 0 HB VAL A 106 27.791 5.944 7.528 1.00 4.41 H new ATOM 0 HG11 VAL A 106 25.985 4.326 7.117 1.00 20.40 H new ATOM 0 HG12 VAL A 106 25.749 5.829 6.194 1.00 20.40 H new ATOM 0 HG13 VAL A 106 26.349 4.367 5.376 1.00 20.40 H new ATOM 0 HG21 VAL A 106 28.263 3.532 7.648 1.00 63.22 H new ATOM 0 HG22 VAL A 106 28.723 3.541 5.928 1.00 63.22 H new ATOM 0 HG23 VAL A 106 29.685 4.458 7.112 1.00 63.22 H new ATOM 1677 N GLU A 107 26.862 7.852 4.496 1.00 31.34 N ATOM 1678 CA GLU A 107 26.149 9.121 4.407 1.00 62.43 C ATOM 1679 C GLU A 107 24.660 8.892 4.165 1.00 12.24 C ATOM 1680 O GLU A 107 24.270 7.997 3.415 1.00 62.21 O ATOM 1681 CB GLU A 107 26.733 9.981 3.284 1.00 71.42 C ATOM 1682 CG GLU A 107 25.928 11.237 2.998 1.00 13.01 C ATOM 1683 CD GLU A 107 25.843 12.161 4.197 1.00 4.32 C ATOM 1684 OE1 GLU A 107 26.853 12.289 4.920 1.00 2.44 O ATOM 1685 OE2 GLU A 107 24.767 12.757 4.412 1.00 72.21 O ATOM 0 H GLU A 107 26.670 7.205 3.731 1.00 31.34 H new ATOM 0 HA GLU A 107 26.269 9.644 5.356 1.00 62.43 H new ATOM 0 HB2 GLU A 107 27.752 10.265 3.548 1.00 71.42 H new ATOM 0 HB3 GLU A 107 26.794 9.384 2.374 1.00 71.42 H new ATOM 0 HG2 GLU A 107 26.381 11.772 2.163 1.00 13.01 H new ATOM 0 HG3 GLU A 107 24.921 10.956 2.688 1.00 13.01 H new ATOM 1692 N THR A 108 23.830 9.708 4.808 1.00 41.50 N ATOM 1693 CA THR A 108 22.384 9.596 4.666 1.00 60.53 C ATOM 1694 C THR A 108 21.785 10.879 4.102 1.00 61.25 C ATOM 1695 O THR A 108 22.095 11.976 4.566 1.00 40.12 O ATOM 1696 CB THR A 108 21.710 9.277 6.014 1.00 40.23 C ATOM 1697 OG1 THR A 108 21.754 10.426 6.867 1.00 44.30 O ATOM 1698 CG2 THR A 108 22.396 8.104 6.698 1.00 52.30 C ATOM 0 H THR A 108 24.135 10.454 5.433 1.00 41.50 H new ATOM 0 HA THR A 108 22.198 8.776 3.972 1.00 60.53 H new ATOM 0 HB THR A 108 20.672 9.007 5.822 1.00 40.23 H new ATOM 0 HG1 THR A 108 21.959 11.222 6.333 1.00 44.30 H new ATOM 0 HG21 THR A 108 21.903 7.897 7.648 1.00 52.30 H new ATOM 0 HG22 THR A 108 22.335 7.224 6.058 1.00 52.30 H new ATOM 0 HG23 THR A 108 23.443 8.349 6.879 1.00 52.30 H new ATOM 1706 N ASP A 109 20.926 10.734 3.099 1.00 51.12 N ATOM 1707 CA ASP A 109 20.282 11.883 2.472 1.00 33.42 C ATOM 1708 C ASP A 109 18.781 11.650 2.325 1.00 42.34 C ATOM 1709 O ASP A 109 18.332 10.516 2.161 1.00 41.44 O ATOM 1710 CB ASP A 109 20.905 12.160 1.103 1.00 34.41 C ATOM 1711 CG ASP A 109 21.021 13.642 0.809 1.00 2.34 C ATOM 1712 OD1 ASP A 109 21.348 14.408 1.741 1.00 51.15 O ATOM 1713 OD2 ASP A 109 20.787 14.037 -0.352 1.00 32.12 O ATOM 0 H ASP A 109 20.659 9.833 2.703 1.00 51.12 H new ATOM 0 HA ASP A 109 20.436 12.750 3.114 1.00 33.42 H new ATOM 0 HB2 ASP A 109 21.895 11.705 1.059 1.00 34.41 H new ATOM 0 HB3 ASP A 109 20.301 11.685 0.330 1.00 34.41 H new ATOM 1718 N MET A 110 18.011 12.732 2.385 1.00 24.01 N ATOM 1719 CA MET A 110 16.561 12.645 2.258 1.00 42.51 C ATOM 1720 C MET A 110 16.016 13.817 1.448 1.00 54.12 C ATOM 1721 O MET A 110 16.765 14.706 1.041 1.00 54.21 O ATOM 1722 CB MET A 110 15.907 12.618 3.641 1.00 43.12 C ATOM 1723 CG MET A 110 14.436 12.237 3.610 1.00 50.51 C ATOM 1724 SD MET A 110 13.561 12.723 5.110 1.00 24.41 S ATOM 1725 CE MET A 110 13.235 14.450 4.768 1.00 11.21 C ATOM 0 H MET A 110 18.367 13.678 2.521 1.00 24.01 H new ATOM 0 HA MET A 110 16.322 11.720 1.733 1.00 42.51 H new ATOM 0 HB2 MET A 110 16.444 11.911 4.274 1.00 43.12 H new ATOM 0 HB3 MET A 110 16.010 13.600 4.102 1.00 43.12 H new ATOM 0 HG2 MET A 110 13.961 12.707 2.749 1.00 50.51 H new ATOM 0 HG3 MET A 110 14.347 11.159 3.475 1.00 50.51 H new ATOM 0 HE1 MET A 110 12.697 14.892 5.607 1.00 11.21 H new ATOM 0 HE2 MET A 110 14.178 14.977 4.624 1.00 11.21 H new ATOM 0 HE3 MET A 110 12.631 14.534 3.865 1.00 11.21 H new TER 1735 MET A 110