USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1022 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 28 TYR OH : rot 70:sc= 0.193 USER MOD Set 1.2: A 47 SER OG : rot -128:sc= 1.9 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.51) USER MOD Single : A 21 MET CE :methyl 151:sc= -1.58 (180deg=-4.92!) USER MOD Single : A 30 THR OG1 : rot -160:sc= 0.075 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 170:sc= -0.158 USER MOD Single : A 35 ASN : amide:sc= -5.69! C(o=-5.7!,f=-9.7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 17:sc= 1.33 USER MOD Single : A 48 SER OG : rot 106:sc= 0.481 USER MOD Single : A 52 THR OG1 : rot 24:sc= -0.0767 USER MOD Single : A 55 HIS : no HE2:sc= 0.103 K(o=0.1,f=-0.44) USER MOD Single : A 56 THR OG1 : rot 120:sc= -1.49 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.02) USER MOD Single : A 63 LYS NZ :NH3+ 140:sc= -1.49 (180deg=-5.14!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 67 TYR OH : rot -39:sc= 0.424 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 160:sc= -0.118 (180deg=-0.988) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.28 X(o=-1.3,f=-1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.786 X(o=-0.79,f=-0.5) USER MOD Single : A 100 MET CE :methyl -129:sc= -1.72 (180deg=-7.2!) USER MOD Single : A 102 TYR OH : rot 180:sc=0.000721 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -155:sc= -1.49 (180deg=-2.52) USER MOD Single : A 112 THR OG1 : rot -38:sc= 0.454 USER MOD Single : A 113 MET CE :methyl -149:sc= -1.93 (180deg=-4.6!) USER MOD Single : A 120 TYR OH : rot 180:sc= -0.505 USER MOD Single : A 121 ASN : amide:sc= -2.06 X(o=-2.1,f=-2) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot -99:sc= 0.0959 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc=-0.00171 X(o=-0.0017,f=-0.35) USER MOD Single : A 134 THR OG1 : rot -57:sc= 0.983 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 139 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0142) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 0.715 -2.338 5.309 1.00 41.35 N ATOM 2 CA SER A 12 0.876 -3.687 4.779 1.00 40.45 C ATOM 3 C SER A 12 1.756 -3.679 3.532 1.00 74.01 C ATOM 4 O SER A 12 1.259 -3.740 2.408 1.00 64.21 O ATOM 5 CB SER A 12 -0.489 -4.294 4.450 1.00 61.33 C ATOM 6 OG SER A 12 -0.918 -5.170 5.478 1.00 54.11 O ATOM 0 HA SER A 12 1.362 -4.295 5.542 1.00 40.45 H new ATOM 0 HB2 SER A 12 -1.222 -3.498 4.316 1.00 61.33 H new ATOM 0 HB3 SER A 12 -0.432 -4.836 3.506 1.00 61.33 H new ATOM 0 HG SER A 12 -1.793 -5.544 5.245 1.00 54.11 H new ATOM 12 N GLY A 13 3.067 -3.603 3.741 1.00 73.43 N ATOM 13 CA GLY A 13 3.996 -3.589 2.626 1.00 53.01 C ATOM 14 C GLY A 13 4.708 -4.915 2.447 1.00 34.23 C ATOM 15 O GLY A 13 5.449 -5.354 3.328 1.00 71.13 O ATOM 0 H GLY A 13 3.502 -3.551 4.662 1.00 73.43 H new ATOM 0 HA2 GLY A 13 3.457 -3.343 1.711 1.00 53.01 H new ATOM 0 HA3 GLY A 13 4.734 -2.802 2.782 1.00 53.01 H new ATOM 19 N LEU A 14 4.482 -5.557 1.306 1.00 3.31 N ATOM 20 CA LEU A 14 5.107 -6.843 1.015 1.00 52.51 C ATOM 21 C LEU A 14 5.278 -7.037 -0.488 1.00 41.22 C ATOM 22 O LEU A 14 4.782 -6.243 -1.288 1.00 21.10 O ATOM 23 CB LEU A 14 4.268 -7.982 1.596 1.00 71.33 C ATOM 24 CG LEU A 14 4.316 -8.144 3.115 1.00 12.15 C ATOM 25 CD1 LEU A 14 3.329 -9.208 3.570 1.00 13.45 C ATOM 26 CD2 LEU A 14 5.725 -8.492 3.571 1.00 65.34 C ATOM 0 H LEU A 14 3.871 -5.208 0.567 1.00 3.31 H new ATOM 0 HA LEU A 14 6.094 -6.854 1.478 1.00 52.51 H new ATOM 0 HB2 LEU A 14 3.230 -7.830 1.300 1.00 71.33 H new ATOM 0 HB3 LEU A 14 4.596 -8.917 1.141 1.00 71.33 H new ATOM 0 HG LEU A 14 4.032 -7.195 3.571 1.00 12.15 H new ATOM 0 HD11 LEU A 14 3.377 -9.309 4.654 1.00 13.45 H new ATOM 0 HD12 LEU A 14 2.320 -8.917 3.277 1.00 13.45 H new ATOM 0 HD13 LEU A 14 3.581 -10.161 3.105 1.00 13.45 H new ATOM 0 HD21 LEU A 14 5.739 -8.603 4.655 1.00 65.34 H new ATOM 0 HD22 LEU A 14 6.037 -9.427 3.106 1.00 65.34 H new ATOM 0 HD23 LEU A 14 6.409 -7.695 3.279 1.00 65.34 H new ATOM 38 N VAL A 15 5.982 -8.099 -0.866 1.00 61.20 N ATOM 39 CA VAL A 15 6.216 -8.400 -2.273 1.00 61.33 C ATOM 40 C VAL A 15 5.368 -9.582 -2.731 1.00 4.02 C ATOM 41 O VAL A 15 5.306 -10.623 -2.077 1.00 63.41 O ATOM 42 CB VAL A 15 7.700 -8.713 -2.541 1.00 63.01 C ATOM 43 CG1 VAL A 15 8.035 -10.130 -2.102 1.00 61.42 C ATOM 44 CG2 VAL A 15 8.030 -8.510 -4.012 1.00 41.41 C ATOM 0 H VAL A 15 6.400 -8.766 -0.217 1.00 61.20 H new ATOM 0 HA VAL A 15 5.932 -7.512 -2.838 1.00 61.33 H new ATOM 0 HB VAL A 15 8.310 -8.024 -1.957 1.00 63.01 H new ATOM 0 HG11 VAL A 15 9.088 -10.333 -2.299 1.00 61.42 H new ATOM 0 HG12 VAL A 15 7.839 -10.236 -1.035 1.00 61.42 H new ATOM 0 HG13 VAL A 15 7.419 -10.838 -2.657 1.00 61.42 H new ATOM 0 HG21 VAL A 15 9.083 -8.736 -4.183 1.00 41.41 H new ATOM 0 HG22 VAL A 15 7.413 -9.174 -4.618 1.00 41.41 H new ATOM 0 HG23 VAL A 15 7.831 -7.475 -4.290 1.00 41.41 H new ATOM 54 N PRO A 16 4.699 -9.420 -3.882 1.00 1.52 N ATOM 55 CA PRO A 16 3.843 -10.463 -4.454 1.00 21.12 C ATOM 56 C PRO A 16 4.646 -11.650 -4.975 1.00 31.45 C ATOM 57 O PRO A 16 4.079 -12.669 -5.370 1.00 23.32 O ATOM 58 CB PRO A 16 3.136 -9.748 -5.608 1.00 33.51 C ATOM 59 CG PRO A 16 4.055 -8.639 -5.987 1.00 31.12 C ATOM 60 CD PRO A 16 4.727 -8.205 -4.714 1.00 13.34 C ATOM 0 HA PRO A 16 3.162 -10.883 -3.714 1.00 21.12 H new ATOM 0 HB2 PRO A 16 2.964 -10.423 -6.446 1.00 33.51 H new ATOM 0 HB3 PRO A 16 2.162 -9.367 -5.300 1.00 33.51 H new ATOM 0 HG2 PRO A 16 4.788 -8.973 -6.721 1.00 31.12 H new ATOM 0 HG3 PRO A 16 3.505 -7.814 -6.439 1.00 31.12 H new ATOM 0 HD2 PRO A 16 5.747 -7.865 -4.894 1.00 13.34 H new ATOM 0 HD3 PRO A 16 4.195 -7.381 -4.239 1.00 13.34 H new ATOM 68 N ARG A 17 5.968 -11.512 -4.971 1.00 73.15 N ATOM 69 CA ARG A 17 6.848 -12.574 -5.444 1.00 50.45 C ATOM 70 C ARG A 17 6.614 -13.863 -4.662 1.00 50.24 C ATOM 71 O ARG A 17 6.345 -14.913 -5.244 1.00 30.35 O ATOM 72 CB ARG A 17 8.311 -12.146 -5.318 1.00 24.13 C ATOM 73 CG ARG A 17 8.741 -11.127 -6.360 1.00 55.41 C ATOM 74 CD ARG A 17 10.133 -11.426 -6.892 1.00 5.14 C ATOM 75 NE ARG A 17 11.082 -11.701 -5.816 1.00 63.20 N ATOM 76 CZ ARG A 17 12.270 -12.264 -6.010 1.00 34.53 C ATOM 77 NH1 ARG A 17 12.652 -12.610 -7.231 1.00 72.13 N ATOM 78 NH2 ARG A 17 13.078 -12.483 -4.980 1.00 53.30 N ATOM 0 H ARG A 17 6.453 -10.676 -4.646 1.00 73.15 H new ATOM 0 HA ARG A 17 6.620 -12.760 -6.493 1.00 50.45 H new ATOM 0 HB2 ARG A 17 8.474 -11.728 -4.325 1.00 24.13 H new ATOM 0 HB3 ARG A 17 8.947 -13.028 -5.401 1.00 24.13 H new ATOM 0 HG2 ARG A 17 8.028 -11.126 -7.185 1.00 55.41 H new ATOM 0 HG3 ARG A 17 8.724 -10.129 -5.922 1.00 55.41 H new ATOM 0 HD2 ARG A 17 10.088 -12.283 -7.564 1.00 5.14 H new ATOM 0 HD3 ARG A 17 10.486 -10.579 -7.480 1.00 5.14 H new ATOM 0 HE ARG A 17 10.818 -11.447 -4.864 1.00 63.20 H new ATOM 0 HH11 ARG A 17 12.034 -12.444 -8.025 1.00 72.13 H new ATOM 0 HH12 ARG A 17 13.564 -13.042 -7.377 1.00 72.13 H new ATOM 0 HH21 ARG A 17 12.787 -12.219 -4.039 1.00 53.30 H new ATOM 0 HH22 ARG A 17 13.990 -12.915 -5.130 1.00 53.30 H new ATOM 92 N GLY A 18 6.719 -13.774 -3.340 1.00 21.21 N ATOM 93 CA GLY A 18 6.517 -14.940 -2.500 1.00 32.21 C ATOM 94 C GLY A 18 7.399 -14.927 -1.267 1.00 55.30 C ATOM 95 O GLY A 18 8.594 -14.646 -1.353 1.00 52.55 O ATOM 0 H GLY A 18 6.940 -12.915 -2.836 1.00 21.21 H new ATOM 0 HA2 GLY A 18 5.472 -14.987 -2.195 1.00 32.21 H new ATOM 0 HA3 GLY A 18 6.721 -15.841 -3.079 1.00 32.21 H new ATOM 99 N SER A 19 6.808 -15.230 -0.116 1.00 12.25 N ATOM 100 CA SER A 19 7.547 -15.246 1.142 1.00 53.04 C ATOM 101 C SER A 19 8.076 -13.855 1.479 1.00 72.24 C ATOM 102 O SER A 19 8.182 -12.991 0.608 1.00 51.20 O ATOM 103 CB SER A 19 8.707 -16.240 1.063 1.00 72.20 C ATOM 104 OG SER A 19 8.311 -17.436 0.414 1.00 54.11 O ATOM 0 H SER A 19 5.820 -15.468 -0.028 1.00 12.25 H new ATOM 0 HA SER A 19 6.864 -15.557 1.933 1.00 53.04 H new ATOM 0 HB2 SER A 19 9.540 -15.789 0.524 1.00 72.20 H new ATOM 0 HB3 SER A 19 9.063 -16.468 2.067 1.00 72.20 H new ATOM 0 HG SER A 19 9.071 -18.054 0.375 1.00 54.11 H new ATOM 110 N HIS A 20 8.407 -13.647 2.749 1.00 15.31 N ATOM 111 CA HIS A 20 8.925 -12.361 3.203 1.00 65.31 C ATOM 112 C HIS A 20 10.435 -12.281 2.995 1.00 11.13 C ATOM 113 O HIS A 20 11.203 -12.261 3.957 1.00 51.53 O ATOM 114 CB HIS A 20 8.590 -12.144 4.679 1.00 74.14 C ATOM 115 CG HIS A 20 7.120 -12.166 4.968 1.00 23.00 C ATOM 116 ND1 HIS A 20 6.160 -11.940 4.005 1.00 40.43 N ATOM 117 CD2 HIS A 20 6.448 -12.391 6.121 1.00 24.23 C ATOM 118 CE1 HIS A 20 4.961 -12.023 4.553 1.00 1.32 C ATOM 119 NE2 HIS A 20 5.108 -12.296 5.837 1.00 63.41 N ATOM 0 H HIS A 20 8.326 -14.352 3.482 1.00 15.31 H new ATOM 0 HA HIS A 20 8.451 -11.577 2.612 1.00 65.31 H new ATOM 0 HB2 HIS A 20 9.080 -12.916 5.272 1.00 74.14 H new ATOM 0 HB3 HIS A 20 9.001 -11.187 5.000 1.00 74.14 H new ATOM 0 HD2 HIS A 20 6.885 -12.605 7.085 1.00 24.23 H new ATOM 0 HE1 HIS A 20 4.021 -11.890 4.039 1.00 1.32 H new ATOM 0 HE2 HIS A 20 4.350 -12.417 6.508 1.00 63.41 H new ATOM 127 N MET A 21 10.852 -12.236 1.734 1.00 24.34 N ATOM 128 CA MET A 21 12.270 -12.158 1.401 1.00 0.15 C ATOM 129 C MET A 21 12.610 -10.803 0.788 1.00 62.40 C ATOM 130 O MET A 21 13.756 -10.356 0.842 1.00 60.51 O ATOM 131 CB MET A 21 12.651 -13.280 0.433 1.00 3.55 C ATOM 132 CG MET A 21 13.475 -14.383 1.077 1.00 64.25 C ATOM 133 SD MET A 21 13.215 -15.988 0.297 1.00 65.11 S ATOM 134 CE MET A 21 11.902 -16.652 1.318 1.00 3.12 C ATOM 0 H MET A 21 10.229 -12.252 0.927 1.00 24.34 H new ATOM 0 HA MET A 21 12.841 -12.274 2.322 1.00 0.15 H new ATOM 0 HB2 MET A 21 11.742 -13.713 0.016 1.00 3.55 H new ATOM 0 HB3 MET A 21 13.213 -12.856 -0.399 1.00 3.55 H new ATOM 0 HG2 MET A 21 14.532 -14.122 1.020 1.00 64.25 H new ATOM 0 HG3 MET A 21 13.220 -14.452 2.135 1.00 64.25 H new ATOM 0 HE1 MET A 21 11.291 -17.335 0.727 1.00 3.12 H new ATOM 0 HE2 MET A 21 12.334 -17.190 2.162 1.00 3.12 H new ATOM 0 HE3 MET A 21 11.280 -15.836 1.687 1.00 3.12 H new ATOM 144 N VAL A 22 11.608 -10.154 0.204 1.00 34.34 N ATOM 145 CA VAL A 22 11.801 -8.850 -0.419 1.00 33.34 C ATOM 146 C VAL A 22 10.606 -7.938 -0.166 1.00 12.03 C ATOM 147 O VAL A 22 9.479 -8.406 0.002 1.00 5.45 O ATOM 148 CB VAL A 22 12.020 -8.981 -1.938 1.00 25.15 C ATOM 149 CG1 VAL A 22 12.756 -7.764 -2.478 1.00 14.14 C ATOM 150 CG2 VAL A 22 12.781 -10.259 -2.257 1.00 43.03 C ATOM 0 H VAL A 22 10.654 -10.510 0.149 1.00 34.34 H new ATOM 0 HA VAL A 22 12.691 -8.412 0.033 1.00 33.34 H new ATOM 0 HB VAL A 22 11.046 -9.033 -2.425 1.00 25.15 H new ATOM 0 HG11 VAL A 22 12.902 -7.874 -3.553 1.00 14.14 H new ATOM 0 HG12 VAL A 22 12.169 -6.867 -2.282 1.00 14.14 H new ATOM 0 HG13 VAL A 22 13.725 -7.678 -1.987 1.00 14.14 H new ATOM 0 HG21 VAL A 22 12.927 -10.336 -3.334 1.00 43.03 H new ATOM 0 HG22 VAL A 22 13.751 -10.239 -1.760 1.00 43.03 H new ATOM 0 HG23 VAL A 22 12.211 -11.119 -1.906 1.00 43.03 H new ATOM 160 N ARG A 23 10.859 -6.634 -0.141 1.00 2.44 N ATOM 161 CA ARG A 23 9.804 -5.655 0.093 1.00 41.25 C ATOM 162 C ARG A 23 10.216 -4.278 -0.421 1.00 64.31 C ATOM 163 O ARG A 23 11.398 -3.934 -0.422 1.00 42.32 O ATOM 164 CB ARG A 23 9.473 -5.576 1.584 1.00 74.11 C ATOM 165 CG ARG A 23 10.400 -4.661 2.367 1.00 63.34 C ATOM 166 CD ARG A 23 9.758 -3.308 2.627 1.00 2.42 C ATOM 167 NE ARG A 23 9.793 -2.949 4.042 1.00 13.15 N ATOM 168 CZ ARG A 23 8.985 -2.049 4.592 1.00 2.23 C ATOM 169 NH1 ARG A 23 8.085 -1.420 3.850 1.00 54.12 N ATOM 170 NH2 ARG A 23 9.077 -1.777 5.888 1.00 43.42 N ATOM 0 H ARG A 23 11.785 -6.231 -0.280 1.00 2.44 H new ATOM 0 HA ARG A 23 8.917 -5.977 -0.452 1.00 41.25 H new ATOM 0 HB2 ARG A 23 8.447 -5.227 1.702 1.00 74.11 H new ATOM 0 HB3 ARG A 23 9.519 -6.578 2.011 1.00 74.11 H new ATOM 0 HG2 ARG A 23 10.660 -5.130 3.316 1.00 63.34 H new ATOM 0 HG3 ARG A 23 11.329 -4.524 1.814 1.00 63.34 H new ATOM 0 HD2 ARG A 23 10.275 -2.544 2.046 1.00 2.42 H new ATOM 0 HD3 ARG A 23 8.724 -3.325 2.283 1.00 2.42 H new ATOM 0 HE ARG A 23 10.475 -3.415 4.641 1.00 13.15 H new ATOM 0 HH11 ARG A 23 8.011 -1.626 2.854 1.00 54.12 H new ATOM 0 HH12 ARG A 23 7.466 -0.730 4.275 1.00 54.12 H new ATOM 0 HH21 ARG A 23 9.768 -2.259 6.462 1.00 43.42 H new ATOM 0 HH22 ARG A 23 8.456 -1.086 6.309 1.00 43.42 H new ATOM 184 N ARG A 24 9.234 -3.497 -0.857 1.00 40.33 N ATOM 185 CA ARG A 24 9.495 -2.159 -1.375 1.00 52.01 C ATOM 186 C ARG A 24 9.890 -1.208 -0.249 1.00 53.33 C ATOM 187 O ARG A 24 9.069 -0.430 0.236 1.00 51.43 O ATOM 188 CB ARG A 24 8.261 -1.621 -2.103 1.00 22.14 C ATOM 189 CG ARG A 24 7.612 -2.634 -3.031 1.00 72.22 C ATOM 190 CD ARG A 24 6.734 -1.955 -4.071 1.00 1.45 C ATOM 191 NE ARG A 24 5.403 -1.653 -3.550 1.00 61.54 N ATOM 192 CZ ARG A 24 4.425 -1.138 -4.287 1.00 44.02 C ATOM 193 NH1 ARG A 24 4.629 -0.868 -5.569 1.00 73.23 N ATOM 194 NH2 ARG A 24 3.241 -0.892 -3.742 1.00 1.22 N ATOM 0 H ARG A 24 8.250 -3.767 -0.862 1.00 40.33 H new ATOM 0 HA ARG A 24 10.324 -2.224 -2.080 1.00 52.01 H new ATOM 0 HB2 ARG A 24 7.528 -1.295 -1.365 1.00 22.14 H new ATOM 0 HB3 ARG A 24 8.545 -0.741 -2.681 1.00 22.14 H new ATOM 0 HG2 ARG A 24 8.385 -3.218 -3.531 1.00 72.22 H new ATOM 0 HG3 ARG A 24 7.012 -3.332 -2.447 1.00 72.22 H new ATOM 0 HD2 ARG A 24 7.211 -1.033 -4.402 1.00 1.45 H new ATOM 0 HD3 ARG A 24 6.644 -2.599 -4.946 1.00 1.45 H new ATOM 0 HE ARG A 24 5.214 -1.848 -2.567 1.00 61.54 H new ATOM 0 HH11 ARG A 24 5.538 -1.056 -5.991 1.00 73.23 H new ATOM 0 HH12 ARG A 24 3.877 -0.473 -6.133 1.00 73.23 H new ATOM 0 HH21 ARG A 24 3.081 -1.098 -2.756 1.00 1.22 H new ATOM 0 HH22 ARG A 24 2.491 -0.497 -4.309 1.00 1.22 H new ATOM 208 N ALA A 25 11.152 -1.277 0.161 1.00 13.25 N ATOM 209 CA ALA A 25 11.656 -0.421 1.229 1.00 73.25 C ATOM 210 C ALA A 25 12.456 0.747 0.663 1.00 1.35 C ATOM 211 O ALA A 25 12.452 0.989 -0.544 1.00 34.23 O ATOM 212 CB ALA A 25 12.509 -1.230 2.195 1.00 52.33 C ATOM 0 H ALA A 25 11.844 -1.916 -0.230 1.00 13.25 H new ATOM 0 HA ALA A 25 10.802 -0.014 1.770 1.00 73.25 H new ATOM 0 HB1 ALA A 25 12.879 -0.579 2.987 1.00 52.33 H new ATOM 0 HB2 ALA A 25 11.907 -2.027 2.632 1.00 52.33 H new ATOM 0 HB3 ALA A 25 13.353 -1.664 1.659 1.00 52.33 H new ATOM 218 N ARG A 26 13.141 1.470 1.544 1.00 65.43 N ATOM 219 CA ARG A 26 13.945 2.614 1.132 1.00 1.31 C ATOM 220 C ARG A 26 15.335 2.170 0.685 1.00 11.42 C ATOM 221 O ARG A 26 15.654 0.981 0.702 1.00 0.24 O ATOM 222 CB ARG A 26 14.063 3.620 2.279 1.00 44.13 C ATOM 223 CG ARG A 26 13.787 5.055 1.861 1.00 45.22 C ATOM 224 CD ARG A 26 12.952 5.787 2.900 1.00 44.12 C ATOM 225 NE ARG A 26 13.774 6.333 3.977 1.00 70.02 N ATOM 226 CZ ARG A 26 13.284 6.729 5.146 1.00 2.03 C ATOM 227 NH1 ARG A 26 11.984 6.640 5.388 1.00 33.15 N ATOM 228 NH2 ARG A 26 14.096 7.215 6.077 1.00 71.04 N ATOM 0 H ARG A 26 13.155 1.284 2.547 1.00 65.43 H new ATOM 0 HA ARG A 26 13.447 3.091 0.288 1.00 1.31 H new ATOM 0 HB2 ARG A 26 13.366 3.340 3.069 1.00 44.13 H new ATOM 0 HB3 ARG A 26 15.066 3.560 2.702 1.00 44.13 H new ATOM 0 HG2 ARG A 26 14.731 5.581 1.715 1.00 45.22 H new ATOM 0 HG3 ARG A 26 13.267 5.062 0.903 1.00 45.22 H new ATOM 0 HD2 ARG A 26 12.402 6.595 2.419 1.00 44.12 H new ATOM 0 HD3 ARG A 26 12.213 5.103 3.319 1.00 44.12 H new ATOM 0 HE ARG A 26 14.779 6.415 3.823 1.00 70.02 H new ATOM 0 HH11 ARG A 26 11.357 6.267 4.675 1.00 33.15 H new ATOM 0 HH12 ARG A 26 11.611 6.945 6.287 1.00 33.15 H new ATOM 0 HH21 ARG A 26 15.097 7.285 5.895 1.00 71.04 H new ATOM 0 HH22 ARG A 26 13.719 7.519 6.975 1.00 71.04 H new ATOM 242 N CYS A 27 16.158 3.134 0.285 1.00 71.10 N ATOM 243 CA CYS A 27 17.513 2.844 -0.168 1.00 30.34 C ATOM 244 C CYS A 27 18.358 4.114 -0.203 1.00 61.24 C ATOM 245 O CYS A 27 18.009 5.085 -0.874 1.00 45.44 O ATOM 246 CB CYS A 27 17.483 2.199 -1.555 1.00 32.13 C ATOM 247 SG CYS A 27 18.554 0.734 -1.717 1.00 53.22 S ATOM 0 H CYS A 27 15.910 4.123 0.265 1.00 71.10 H new ATOM 0 HA CYS A 27 17.964 2.148 0.539 1.00 30.34 H new ATOM 0 HB2 CYS A 27 16.457 1.914 -1.789 1.00 32.13 H new ATOM 0 HB3 CYS A 27 17.785 2.940 -2.295 1.00 32.13 H new ATOM 252 N TYR A 28 19.470 4.098 0.523 1.00 43.12 N ATOM 253 CA TYR A 28 20.364 5.249 0.576 1.00 24.53 C ATOM 254 C TYR A 28 21.810 4.827 0.332 1.00 61.30 C ATOM 255 O TYR A 28 22.209 3.695 0.609 1.00 41.42 O ATOM 256 CB TYR A 28 20.248 5.949 1.931 1.00 31.12 C ATOM 257 CG TYR A 28 20.619 5.068 3.102 1.00 32.44 C ATOM 258 CD1 TYR A 28 21.950 4.826 3.421 1.00 54.10 C ATOM 259 CD2 TYR A 28 19.639 4.476 3.890 1.00 61.54 C ATOM 260 CE1 TYR A 28 22.293 4.021 4.490 1.00 65.03 C ATOM 261 CE2 TYR A 28 19.974 3.670 4.961 1.00 14.30 C ATOM 262 CZ TYR A 28 21.302 3.446 5.257 1.00 70.21 C ATOM 263 OH TYR A 28 21.639 2.643 6.322 1.00 3.15 O ATOM 0 H TYR A 28 19.774 3.301 1.083 1.00 43.12 H new ATOM 0 HA TYR A 28 20.069 5.943 -0.211 1.00 24.53 H new ATOM 0 HB2 TYR A 28 20.891 6.829 1.932 1.00 31.12 H new ATOM 0 HB3 TYR A 28 19.225 6.301 2.062 1.00 31.12 H new ATOM 0 HD1 TYR A 28 22.729 5.275 2.823 1.00 54.10 H new ATOM 0 HD2 TYR A 28 18.598 4.649 3.661 1.00 61.54 H new ATOM 0 HE1 TYR A 28 23.332 3.843 4.724 1.00 65.03 H new ATOM 0 HE2 TYR A 28 19.200 3.218 5.563 1.00 14.30 H new ATOM 0 HH TYR A 28 22.028 3.191 7.035 1.00 3.15 H new ATOM 273 N PRO A 29 22.615 5.759 -0.199 1.00 64.42 N ATOM 274 CA PRO A 29 24.030 5.509 -0.492 1.00 71.31 C ATOM 275 C PRO A 29 24.868 5.366 0.774 1.00 14.00 C ATOM 276 O PRO A 29 25.000 6.310 1.554 1.00 41.25 O ATOM 277 CB PRO A 29 24.455 6.752 -1.277 1.00 54.31 C ATOM 278 CG PRO A 29 23.513 7.819 -0.836 1.00 30.15 C ATOM 279 CD PRO A 29 22.207 7.128 -0.554 1.00 43.14 C ATOM 0 HA PRO A 29 24.175 4.575 -1.035 1.00 71.31 H new ATOM 0 HB2 PRO A 29 25.489 7.022 -1.061 1.00 54.31 H new ATOM 0 HB3 PRO A 29 24.387 6.584 -2.352 1.00 54.31 H new ATOM 0 HG2 PRO A 29 23.886 8.326 0.054 1.00 30.15 H new ATOM 0 HG3 PRO A 29 23.394 8.578 -1.609 1.00 30.15 H new ATOM 0 HD2 PRO A 29 21.665 7.610 0.260 1.00 43.14 H new ATOM 0 HD3 PRO A 29 21.551 7.139 -1.424 1.00 43.14 H new ATOM 287 N THR A 30 25.433 4.179 0.974 1.00 53.32 N ATOM 288 CA THR A 30 26.257 3.913 2.146 1.00 61.13 C ATOM 289 C THR A 30 27.558 4.707 2.095 1.00 74.41 C ATOM 290 O THR A 30 27.738 5.669 2.841 1.00 23.33 O ATOM 291 CB THR A 30 26.588 2.414 2.271 1.00 64.25 C ATOM 292 OG1 THR A 30 25.675 1.643 1.482 1.00 63.04 O ATOM 293 CG2 THR A 30 26.518 1.963 3.722 1.00 42.12 C ATOM 0 H THR A 30 25.335 3.387 0.339 1.00 53.32 H new ATOM 0 HA THR A 30 25.679 4.224 3.016 1.00 61.13 H new ATOM 0 HB THR A 30 27.604 2.258 1.907 1.00 64.25 H new ATOM 0 HG1 THR A 30 25.673 0.715 1.797 1.00 63.04 H new ATOM 0 HG21 THR A 30 26.756 0.901 3.785 1.00 42.12 H new ATOM 0 HG22 THR A 30 27.235 2.531 4.315 1.00 42.12 H new ATOM 0 HG23 THR A 30 25.513 2.133 4.108 1.00 42.12 H new ATOM 301 N SER A 31 28.461 4.298 1.210 1.00 72.14 N ATOM 302 CA SER A 31 29.747 4.970 1.064 1.00 72.43 C ATOM 303 C SER A 31 29.827 5.705 -0.271 1.00 3.14 C ATOM 304 O SER A 31 28.908 5.638 -1.085 1.00 71.21 O ATOM 305 CB SER A 31 30.890 3.958 1.171 1.00 14.13 C ATOM 306 OG SER A 31 31.205 3.688 2.526 1.00 65.30 O ATOM 0 H SER A 31 28.326 3.505 0.583 1.00 72.14 H new ATOM 0 HA SER A 31 29.841 5.700 1.868 1.00 72.43 H new ATOM 0 HB2 SER A 31 30.609 3.033 0.668 1.00 14.13 H new ATOM 0 HB3 SER A 31 31.771 4.344 0.659 1.00 14.13 H new ATOM 0 HG SER A 31 31.937 3.038 2.568 1.00 65.30 H new ATOM 312 N ASN A 32 30.935 6.407 -0.486 1.00 50.30 N ATOM 313 CA ASN A 32 31.137 7.157 -1.721 1.00 32.41 C ATOM 314 C ASN A 32 31.210 6.218 -2.921 1.00 74.42 C ATOM 315 O ASN A 32 30.556 6.443 -3.939 1.00 52.20 O ATOM 316 CB ASN A 32 32.417 7.990 -1.633 1.00 31.02 C ATOM 317 CG ASN A 32 32.139 9.481 -1.654 1.00 70.41 C ATOM 318 OD1 ASN A 32 32.432 10.164 -2.635 1.00 72.04 O ATOM 319 ND2 ASN A 32 31.571 9.992 -0.568 1.00 70.01 N ATOM 0 H ASN A 32 31.706 6.472 0.178 1.00 50.30 H new ATOM 0 HA ASN A 32 30.286 7.824 -1.855 1.00 32.41 H new ATOM 0 HB2 ASN A 32 32.951 7.736 -0.717 1.00 31.02 H new ATOM 0 HB3 ASN A 32 33.072 7.734 -2.466 1.00 31.02 H new ATOM 0 HD21 ASN A 32 31.360 10.989 -0.524 1.00 70.01 H new ATOM 0 HD22 ASN A 32 31.345 9.388 0.222 1.00 70.01 H new ATOM 326 N ALA A 33 32.009 5.164 -2.793 1.00 61.34 N ATOM 327 CA ALA A 33 32.165 4.189 -3.866 1.00 4.01 C ATOM 328 C ALA A 33 31.267 2.978 -3.642 1.00 75.32 C ATOM 329 O ALA A 33 30.462 2.620 -4.504 1.00 2.24 O ATOM 330 CB ALA A 33 33.620 3.756 -3.978 1.00 12.04 C ATOM 0 H ALA A 33 32.558 4.963 -1.957 1.00 61.34 H new ATOM 0 HA ALA A 33 31.865 4.663 -4.801 1.00 4.01 H new ATOM 0 HB1 ALA A 33 33.722 3.028 -4.783 1.00 12.04 H new ATOM 0 HB2 ALA A 33 34.243 4.624 -4.193 1.00 12.04 H new ATOM 0 HB3 ALA A 33 33.939 3.305 -3.038 1.00 12.04 H new ATOM 336 N THR A 34 31.408 2.348 -2.480 1.00 21.11 N ATOM 337 CA THR A 34 30.610 1.175 -2.144 1.00 4.41 C ATOM 338 C THR A 34 30.771 0.804 -0.674 1.00 60.02 C ATOM 339 O THR A 34 31.763 1.160 -0.039 1.00 55.31 O ATOM 340 CB THR A 34 30.998 -0.036 -3.013 1.00 50.31 C ATOM 341 OG1 THR A 34 30.325 -1.210 -2.545 1.00 53.25 O ATOM 342 CG2 THR A 34 32.502 -0.262 -2.985 1.00 70.54 C ATOM 0 H THR A 34 32.068 2.631 -1.755 1.00 21.11 H new ATOM 0 HA THR A 34 29.569 1.434 -2.339 1.00 4.41 H new ATOM 0 HB THR A 34 30.697 0.170 -4.040 1.00 50.31 H new ATOM 0 HG1 THR A 34 30.447 -1.936 -3.191 1.00 53.25 H new ATOM 0 HG21 THR A 34 32.752 -1.122 -3.606 1.00 70.54 H new ATOM 0 HG22 THR A 34 33.010 0.623 -3.369 1.00 70.54 H new ATOM 0 HG23 THR A 34 32.823 -0.448 -1.960 1.00 70.54 H new ATOM 350 N ASN A 35 29.789 0.085 -0.140 1.00 3.04 N ATOM 351 CA ASN A 35 29.823 -0.335 1.257 1.00 75.14 C ATOM 352 C ASN A 35 30.759 -1.525 1.445 1.00 41.34 C ATOM 353 O ASN A 35 30.946 -2.333 0.534 1.00 0.31 O ATOM 354 CB ASN A 35 28.415 -0.699 1.735 1.00 5.10 C ATOM 355 CG ASN A 35 28.423 -1.379 3.090 1.00 25.14 C ATOM 356 OD1 ASN A 35 27.900 -2.483 3.247 1.00 43.54 O ATOM 357 ND2 ASN A 35 29.019 -0.722 4.079 1.00 52.54 N ATOM 0 H ASN A 35 28.961 -0.219 -0.652 1.00 3.04 H new ATOM 0 HA ASN A 35 30.199 0.497 1.852 1.00 75.14 H new ATOM 0 HB2 ASN A 35 27.807 0.204 1.788 1.00 5.10 H new ATOM 0 HB3 ASN A 35 27.945 -1.357 1.004 1.00 5.10 H new ATOM 0 HD21 ASN A 35 29.056 -1.130 5.013 1.00 52.54 H new ATOM 0 HD22 ASN A 35 29.440 0.191 3.904 1.00 52.54 H new ATOM 364 N THR A 36 31.346 -1.627 2.633 1.00 1.11 N ATOM 365 CA THR A 36 32.263 -2.717 2.941 1.00 4.43 C ATOM 366 C THR A 36 31.821 -3.471 4.190 1.00 71.54 C ATOM 367 O THR A 36 31.242 -2.889 5.107 1.00 75.20 O ATOM 368 CB THR A 36 33.700 -2.200 3.150 1.00 75.13 C ATOM 369 OG1 THR A 36 33.737 -0.778 2.985 1.00 24.12 O ATOM 370 CG2 THR A 36 34.658 -2.855 2.167 1.00 62.03 C ATOM 0 H THR A 36 31.203 -0.968 3.398 1.00 1.11 H new ATOM 0 HA THR A 36 32.248 -3.394 2.087 1.00 4.43 H new ATOM 0 HB THR A 36 34.012 -2.456 4.162 1.00 75.13 H new ATOM 0 HG1 THR A 36 34.653 -0.457 3.121 1.00 24.12 H new ATOM 0 HG21 THR A 36 35.666 -2.475 2.333 1.00 62.03 H new ATOM 0 HG22 THR A 36 34.649 -3.935 2.314 1.00 62.03 H new ATOM 0 HG23 THR A 36 34.347 -2.625 1.148 1.00 62.03 H new ATOM 378 N CYS A 37 32.098 -4.771 4.219 1.00 52.21 N ATOM 379 CA CYS A 37 31.729 -5.606 5.355 1.00 33.41 C ATOM 380 C CYS A 37 32.870 -6.547 5.732 1.00 75.12 C ATOM 381 O CYS A 37 33.198 -7.471 4.987 1.00 5.03 O ATOM 382 CB CYS A 37 30.471 -6.416 5.032 1.00 0.34 C ATOM 383 SG CYS A 37 29.957 -7.552 6.360 1.00 22.22 S ATOM 0 H CYS A 37 32.577 -5.268 3.468 1.00 52.21 H new ATOM 0 HA CYS A 37 31.525 -4.953 6.203 1.00 33.41 H new ATOM 0 HB2 CYS A 37 29.653 -5.728 4.820 1.00 0.34 H new ATOM 0 HB3 CYS A 37 30.646 -6.992 4.123 1.00 0.34 H new ATOM 388 N PHE A 38 33.469 -6.306 6.893 1.00 43.43 N ATOM 389 CA PHE A 38 34.574 -7.130 7.369 1.00 71.12 C ATOM 390 C PHE A 38 35.734 -7.110 6.378 1.00 72.55 C ATOM 391 O PHE A 38 36.463 -8.092 6.238 1.00 15.24 O ATOM 392 CB PHE A 38 34.104 -8.569 7.593 1.00 3.01 C ATOM 393 CG PHE A 38 33.439 -8.782 8.923 1.00 61.02 C ATOM 394 CD1 PHE A 38 32.664 -7.785 9.492 1.00 12.41 C ATOM 395 CD2 PHE A 38 33.589 -9.980 9.603 1.00 15.32 C ATOM 396 CE1 PHE A 38 32.051 -7.978 10.716 1.00 44.11 C ATOM 397 CE2 PHE A 38 32.978 -10.179 10.827 1.00 1.12 C ATOM 398 CZ PHE A 38 32.208 -9.177 11.384 1.00 54.13 C ATOM 0 H PHE A 38 33.208 -5.547 7.522 1.00 43.43 H new ATOM 0 HA PHE A 38 34.922 -6.717 8.316 1.00 71.12 H new ATOM 0 HB2 PHE A 38 33.408 -8.843 6.800 1.00 3.01 H new ATOM 0 HB3 PHE A 38 34.960 -9.239 7.512 1.00 3.01 H new ATOM 0 HD1 PHE A 38 32.537 -6.846 8.974 1.00 12.41 H new ATOM 0 HD2 PHE A 38 34.190 -10.767 9.172 1.00 15.32 H new ATOM 0 HE1 PHE A 38 31.450 -7.192 11.150 1.00 44.11 H new ATOM 0 HE2 PHE A 38 33.103 -11.117 11.347 1.00 1.12 H new ATOM 0 HZ PHE A 38 31.729 -9.330 12.340 1.00 54.13 H new ATOM 408 N GLY A 39 35.898 -5.984 5.690 1.00 71.42 N ATOM 409 CA GLY A 39 36.970 -5.857 4.720 1.00 74.14 C ATOM 410 C GLY A 39 36.525 -6.214 3.315 1.00 45.11 C ATOM 411 O GLY A 39 37.039 -5.670 2.337 1.00 21.13 O ATOM 0 H GLY A 39 35.308 -5.158 5.787 1.00 71.42 H new ATOM 0 HA2 GLY A 39 37.346 -4.834 4.730 1.00 74.14 H new ATOM 0 HA3 GLY A 39 37.798 -6.503 5.011 1.00 74.14 H new ATOM 415 N SER A 40 35.569 -7.132 3.213 1.00 3.44 N ATOM 416 CA SER A 40 35.060 -7.565 1.917 1.00 10.44 C ATOM 417 C SER A 40 33.968 -6.623 1.421 1.00 55.43 C ATOM 418 O SER A 40 32.884 -6.547 2.001 1.00 25.35 O ATOM 419 CB SER A 40 34.515 -8.991 2.011 1.00 64.34 C ATOM 420 OG SER A 40 35.559 -9.922 2.240 1.00 44.35 O ATOM 0 H SER A 40 35.131 -7.590 4.012 1.00 3.44 H new ATOM 0 HA SER A 40 35.885 -7.545 1.204 1.00 10.44 H new ATOM 0 HB2 SER A 40 33.785 -9.052 2.818 1.00 64.34 H new ATOM 0 HB3 SER A 40 33.992 -9.245 1.089 1.00 64.34 H new ATOM 0 HG SER A 40 35.184 -10.826 2.298 1.00 44.35 H new ATOM 426 N LYS A 41 34.260 -5.905 0.342 1.00 51.35 N ATOM 427 CA LYS A 41 33.304 -4.967 -0.237 1.00 21.55 C ATOM 428 C LYS A 41 32.045 -5.692 -0.703 1.00 25.12 C ATOM 429 O LYS A 41 32.122 -6.732 -1.358 1.00 64.31 O ATOM 430 CB LYS A 41 33.939 -4.219 -1.411 1.00 1.14 C ATOM 431 CG LYS A 41 35.164 -3.409 -1.024 1.00 43.33 C ATOM 432 CD LYS A 41 36.139 -3.285 -2.183 1.00 63.11 C ATOM 433 CE LYS A 41 35.552 -2.463 -3.320 1.00 43.12 C ATOM 434 NZ LYS A 41 36.506 -1.427 -3.806 1.00 21.52 N ATOM 0 H LYS A 41 35.152 -5.954 -0.150 1.00 51.35 H new ATOM 0 HA LYS A 41 33.024 -4.249 0.534 1.00 21.55 H new ATOM 0 HB2 LYS A 41 34.218 -4.938 -2.181 1.00 1.14 H new ATOM 0 HB3 LYS A 41 33.197 -3.553 -1.851 1.00 1.14 H new ATOM 0 HG2 LYS A 41 34.856 -2.415 -0.698 1.00 43.33 H new ATOM 0 HG3 LYS A 41 35.662 -3.882 -0.178 1.00 43.33 H new ATOM 0 HD2 LYS A 41 37.062 -2.820 -1.835 1.00 63.11 H new ATOM 0 HD3 LYS A 41 36.400 -4.278 -2.548 1.00 63.11 H new ATOM 0 HE2 LYS A 41 35.282 -3.124 -4.144 1.00 43.12 H new ATOM 0 HE3 LYS A 41 34.634 -1.982 -2.984 1.00 43.12 H new ATOM 0 HZ1 LYS A 41 36.069 -0.888 -4.581 1.00 21.52 H new ATOM 0 HZ2 LYS A 41 36.744 -0.781 -3.026 1.00 21.52 H new ATOM 0 HZ3 LYS A 41 37.372 -1.887 -4.151 1.00 21.52 H new ATOM 448 N LEU A 42 30.888 -5.136 -0.363 1.00 20.14 N ATOM 449 CA LEU A 42 29.612 -5.729 -0.748 1.00 11.30 C ATOM 450 C LEU A 42 29.270 -5.392 -2.196 1.00 2.32 C ATOM 451 O LEU A 42 29.711 -4.382 -2.745 1.00 0.45 O ATOM 452 CB LEU A 42 28.498 -5.237 0.179 1.00 64.35 C ATOM 453 CG LEU A 42 28.658 -5.580 1.660 1.00 0.12 C ATOM 454 CD1 LEU A 42 29.142 -7.012 1.828 1.00 45.32 C ATOM 455 CD2 LEU A 42 29.617 -4.608 2.332 1.00 63.21 C ATOM 0 H LEU A 42 30.807 -4.275 0.178 1.00 20.14 H new ATOM 0 HA LEU A 42 29.700 -6.812 -0.657 1.00 11.30 H new ATOM 0 HB2 LEU A 42 28.425 -4.154 0.083 1.00 64.35 H new ATOM 0 HB3 LEU A 42 27.552 -5.652 -0.170 1.00 64.35 H new ATOM 0 HG LEU A 42 27.684 -5.489 2.141 1.00 0.12 H new ATOM 0 HD11 LEU A 42 29.250 -7.237 2.889 1.00 45.32 H new ATOM 0 HD12 LEU A 42 28.418 -7.695 1.384 1.00 45.32 H new ATOM 0 HD13 LEU A 42 30.105 -7.131 1.332 1.00 45.32 H new ATOM 0 HD21 LEU A 42 29.719 -4.867 3.386 1.00 63.21 H new ATOM 0 HD22 LEU A 42 30.592 -4.666 1.848 1.00 63.21 H new ATOM 0 HD23 LEU A 42 29.228 -3.594 2.244 1.00 63.21 H new ATOM 467 N PRO A 43 28.464 -6.256 -2.830 1.00 52.43 N ATOM 468 CA PRO A 43 28.042 -6.069 -4.222 1.00 24.31 C ATOM 469 C PRO A 43 27.078 -4.899 -4.384 1.00 4.10 C ATOM 470 O PRO A 43 26.726 -4.522 -5.502 1.00 62.51 O ATOM 471 CB PRO A 43 27.344 -7.388 -4.561 1.00 34.45 C ATOM 472 CG PRO A 43 26.877 -7.918 -3.248 1.00 52.54 C ATOM 473 CD PRO A 43 27.901 -7.480 -2.238 1.00 32.53 C ATOM 0 HA PRO A 43 28.883 -5.836 -4.875 1.00 24.31 H new ATOM 0 HB2 PRO A 43 26.509 -7.230 -5.244 1.00 34.45 H new ATOM 0 HB3 PRO A 43 28.027 -8.084 -5.048 1.00 34.45 H new ATOM 0 HG2 PRO A 43 25.890 -7.528 -2.998 1.00 52.54 H new ATOM 0 HG3 PRO A 43 26.793 -9.004 -3.273 1.00 52.54 H new ATOM 0 HD2 PRO A 43 27.448 -7.284 -1.266 1.00 32.53 H new ATOM 0 HD3 PRO A 43 28.666 -8.241 -2.086 1.00 32.53 H new ATOM 481 N TYR A 44 26.656 -4.327 -3.262 1.00 74.20 N ATOM 482 CA TYR A 44 25.730 -3.200 -3.280 1.00 25.40 C ATOM 483 C TYR A 44 26.371 -1.960 -2.666 1.00 3.43 C ATOM 484 O TYR A 44 27.265 -2.061 -1.826 1.00 33.03 O ATOM 485 CB TYR A 44 24.449 -3.554 -2.524 1.00 12.44 C ATOM 486 CG TYR A 44 24.683 -4.421 -1.308 1.00 31.14 C ATOM 487 CD1 TYR A 44 24.986 -3.857 -0.075 1.00 1.32 C ATOM 488 CD2 TYR A 44 24.600 -5.806 -1.391 1.00 53.34 C ATOM 489 CE1 TYR A 44 25.201 -4.646 1.038 1.00 5.45 C ATOM 490 CE2 TYR A 44 24.812 -6.602 -0.283 1.00 21.41 C ATOM 491 CZ TYR A 44 25.113 -6.018 0.929 1.00 2.35 C ATOM 492 OH TYR A 44 25.326 -6.807 2.037 1.00 74.05 O ATOM 0 H TYR A 44 26.940 -4.625 -2.329 1.00 74.20 H new ATOM 0 HA TYR A 44 25.482 -2.982 -4.319 1.00 25.40 H new ATOM 0 HB2 TYR A 44 23.954 -2.634 -2.214 1.00 12.44 H new ATOM 0 HB3 TYR A 44 23.768 -4.069 -3.201 1.00 12.44 H new ATOM 0 HD1 TYR A 44 25.055 -2.783 0.015 1.00 1.32 H new ATOM 0 HD2 TYR A 44 24.366 -6.268 -2.339 1.00 53.34 H new ATOM 0 HE1 TYR A 44 25.437 -4.191 1.989 1.00 5.45 H new ATOM 0 HE2 TYR A 44 24.742 -7.677 -0.365 1.00 21.41 H new ATOM 0 HH TYR A 44 25.253 -6.260 2.847 1.00 74.05 H new ATOM 502 N GLU A 45 25.907 -0.789 -3.092 1.00 34.14 N ATOM 503 CA GLU A 45 26.434 0.472 -2.584 1.00 22.12 C ATOM 504 C GLU A 45 25.354 1.254 -1.842 1.00 23.15 C ATOM 505 O GLU A 45 25.583 2.378 -1.393 1.00 24.14 O ATOM 506 CB GLU A 45 26.992 1.316 -3.732 1.00 25.14 C ATOM 507 CG GLU A 45 25.918 1.937 -4.609 1.00 4.14 C ATOM 508 CD GLU A 45 26.150 1.680 -6.085 1.00 42.40 C ATOM 509 OE1 GLU A 45 27.160 2.180 -6.623 1.00 62.53 O ATOM 510 OE2 GLU A 45 25.321 0.979 -6.702 1.00 13.50 O ATOM 0 H GLU A 45 25.168 -0.688 -3.787 1.00 34.14 H new ATOM 0 HA GLU A 45 27.239 0.245 -1.885 1.00 22.12 H new ATOM 0 HB2 GLU A 45 27.615 2.109 -3.319 1.00 25.14 H new ATOM 0 HB3 GLU A 45 27.638 0.692 -4.350 1.00 25.14 H new ATOM 0 HG2 GLU A 45 24.945 1.538 -4.323 1.00 4.14 H new ATOM 0 HG3 GLU A 45 25.886 3.012 -4.432 1.00 4.14 H new ATOM 517 N LEU A 46 24.177 0.652 -1.717 1.00 32.13 N ATOM 518 CA LEU A 46 23.060 1.291 -1.029 1.00 71.14 C ATOM 519 C LEU A 46 22.640 0.483 0.195 1.00 53.45 C ATOM 520 O LEU A 46 23.118 -0.630 0.410 1.00 4.02 O ATOM 521 CB LEU A 46 21.873 1.450 -1.982 1.00 2.05 C ATOM 522 CG LEU A 46 22.125 2.290 -3.234 1.00 5.42 C ATOM 523 CD1 LEU A 46 21.012 2.083 -4.249 1.00 64.21 C ATOM 524 CD2 LEU A 46 22.252 3.763 -2.871 1.00 75.05 C ATOM 0 H LEU A 46 23.971 -0.278 -2.083 1.00 32.13 H new ATOM 0 HA LEU A 46 23.386 2.276 -0.696 1.00 71.14 H new ATOM 0 HB2 LEU A 46 21.548 0.457 -2.294 1.00 2.05 H new ATOM 0 HB3 LEU A 46 21.047 1.897 -1.429 1.00 2.05 H new ATOM 0 HG LEU A 46 23.063 1.965 -3.684 1.00 5.42 H new ATOM 0 HD11 LEU A 46 21.209 2.689 -5.133 1.00 64.21 H new ATOM 0 HD12 LEU A 46 20.969 1.031 -4.532 1.00 64.21 H new ATOM 0 HD13 LEU A 46 20.060 2.380 -3.810 1.00 64.21 H new ATOM 0 HD21 LEU A 46 22.431 4.346 -3.774 1.00 75.05 H new ATOM 0 HD22 LEU A 46 21.331 4.102 -2.397 1.00 75.05 H new ATOM 0 HD23 LEU A 46 23.085 3.897 -2.181 1.00 75.05 H new ATOM 536 N SER A 47 21.740 1.051 0.992 1.00 45.43 N ATOM 537 CA SER A 47 21.257 0.385 2.195 1.00 34.01 C ATOM 538 C SER A 47 19.872 0.897 2.580 1.00 0.22 C ATOM 539 O SER A 47 19.531 2.051 2.321 1.00 13.12 O ATOM 540 CB SER A 47 22.233 0.603 3.352 1.00 25.02 C ATOM 541 OG SER A 47 21.553 0.639 4.594 1.00 14.45 O ATOM 0 H SER A 47 21.331 1.971 0.826 1.00 45.43 H new ATOM 0 HA SER A 47 21.186 -0.682 1.986 1.00 34.01 H new ATOM 0 HB2 SER A 47 22.973 -0.197 3.363 1.00 25.02 H new ATOM 0 HB3 SER A 47 22.775 1.537 3.203 1.00 25.02 H new ATOM 0 HG SER A 47 21.808 1.449 5.083 1.00 14.45 H new ATOM 547 N SER A 48 19.079 0.030 3.201 1.00 74.23 N ATOM 548 CA SER A 48 17.729 0.392 3.619 1.00 63.32 C ATOM 549 C SER A 48 17.590 0.309 5.136 1.00 42.41 C ATOM 550 O SER A 48 17.575 -0.779 5.712 1.00 75.44 O ATOM 551 CB SER A 48 16.703 -0.525 2.951 1.00 55.23 C ATOM 552 OG SER A 48 15.383 -0.056 3.167 1.00 10.25 O ATOM 0 H SER A 48 19.348 -0.928 3.426 1.00 74.23 H new ATOM 0 HA SER A 48 17.543 1.420 3.310 1.00 63.32 H new ATOM 0 HB2 SER A 48 16.902 -0.580 1.881 1.00 55.23 H new ATOM 0 HB3 SER A 48 16.802 -1.536 3.346 1.00 55.23 H new ATOM 0 HG SER A 48 15.040 0.347 2.342 1.00 10.25 H new ATOM 558 N LEU A 49 17.490 1.468 5.778 1.00 74.01 N ATOM 559 CA LEU A 49 17.352 1.529 7.229 1.00 54.21 C ATOM 560 C LEU A 49 16.088 0.807 7.687 1.00 43.23 C ATOM 561 O LEU A 49 15.956 0.448 8.857 1.00 62.02 O ATOM 562 CB LEU A 49 17.319 2.985 7.697 1.00 54.11 C ATOM 563 CG LEU A 49 18.138 3.307 8.947 1.00 33.14 C ATOM 564 CD1 LEU A 49 17.476 2.720 10.184 1.00 23.54 C ATOM 565 CD2 LEU A 49 19.560 2.785 8.802 1.00 11.52 C ATOM 0 H LEU A 49 17.502 2.378 5.317 1.00 74.01 H new ATOM 0 HA LEU A 49 18.214 1.030 7.672 1.00 54.21 H new ATOM 0 HB2 LEU A 49 17.674 3.616 6.882 1.00 54.11 H new ATOM 0 HB3 LEU A 49 16.282 3.262 7.885 1.00 54.11 H new ATOM 0 HG LEU A 49 18.180 4.390 9.062 1.00 33.14 H new ATOM 0 HD11 LEU A 49 18.073 2.959 11.064 1.00 23.54 H new ATOM 0 HD12 LEU A 49 16.477 3.142 10.297 1.00 23.54 H new ATOM 0 HD13 LEU A 49 17.403 1.638 10.078 1.00 23.54 H new ATOM 0 HD21 LEU A 49 20.128 3.023 9.701 1.00 11.52 H new ATOM 0 HD22 LEU A 49 19.538 1.704 8.662 1.00 11.52 H new ATOM 0 HD23 LEU A 49 20.033 3.253 7.939 1.00 11.52 H new ATOM 577 N ASP A 50 15.164 0.596 6.756 1.00 12.44 N ATOM 578 CA ASP A 50 13.912 -0.086 7.063 1.00 21.03 C ATOM 579 C ASP A 50 14.175 -1.491 7.596 1.00 65.11 C ATOM 580 O ASP A 50 13.403 -2.018 8.398 1.00 51.33 O ATOM 581 CB ASP A 50 13.026 -0.157 5.818 1.00 5.23 C ATOM 582 CG ASP A 50 11.549 -0.098 6.155 1.00 63.55 C ATOM 583 OD1 ASP A 50 11.175 -0.533 7.264 1.00 5.44 O ATOM 584 OD2 ASP A 50 10.767 0.382 5.308 1.00 2.11 O ATOM 0 H ASP A 50 15.258 0.887 5.783 1.00 12.44 H new ATOM 0 HA ASP A 50 13.396 0.485 7.835 1.00 21.03 H new ATOM 0 HB2 ASP A 50 13.277 0.667 5.150 1.00 5.23 H new ATOM 0 HB3 ASP A 50 13.236 -1.080 5.278 1.00 5.23 H new ATOM 589 N LEU A 51 15.270 -2.094 7.144 1.00 11.44 N ATOM 590 CA LEU A 51 15.635 -3.439 7.575 1.00 44.15 C ATOM 591 C LEU A 51 15.713 -3.522 9.096 1.00 44.24 C ATOM 592 O LEU A 51 15.554 -4.595 9.679 1.00 0.52 O ATOM 593 CB LEU A 51 16.976 -3.845 6.961 1.00 63.23 C ATOM 594 CG LEU A 51 17.133 -5.325 6.610 1.00 20.32 C ATOM 595 CD1 LEU A 51 17.189 -5.514 5.102 1.00 5.42 C ATOM 596 CD2 LEU A 51 18.379 -5.900 7.268 1.00 31.13 C ATOM 0 H LEU A 51 15.920 -1.673 6.480 1.00 11.44 H new ATOM 0 HA LEU A 51 14.862 -4.126 7.232 1.00 44.15 H new ATOM 0 HB2 LEU A 51 17.130 -3.259 6.055 1.00 63.23 H new ATOM 0 HB3 LEU A 51 17.769 -3.571 7.657 1.00 63.23 H new ATOM 0 HG LEU A 51 16.264 -5.862 6.990 1.00 20.32 H new ATOM 0 HD11 LEU A 51 17.301 -6.574 4.872 1.00 5.42 H new ATOM 0 HD12 LEU A 51 16.268 -5.141 4.654 1.00 5.42 H new ATOM 0 HD13 LEU A 51 18.038 -4.963 4.698 1.00 5.42 H new ATOM 0 HD21 LEU A 51 18.475 -6.954 7.007 1.00 31.13 H new ATOM 0 HD22 LEU A 51 19.258 -5.358 6.918 1.00 31.13 H new ATOM 0 HD23 LEU A 51 18.298 -5.800 8.350 1.00 31.13 H new ATOM 608 N THR A 52 15.958 -2.381 9.734 1.00 72.43 N ATOM 609 CA THR A 52 16.056 -2.324 11.187 1.00 72.43 C ATOM 610 C THR A 52 14.896 -1.537 11.785 1.00 10.05 C ATOM 611 O THR A 52 14.002 -1.088 11.068 1.00 42.41 O ATOM 612 CB THR A 52 17.383 -1.683 11.636 1.00 74.54 C ATOM 613 OG1 THR A 52 17.747 -0.630 10.737 1.00 55.04 O ATOM 614 CG2 THR A 52 18.494 -2.720 11.686 1.00 25.45 C ATOM 0 H THR A 52 16.092 -1.484 9.267 1.00 72.43 H new ATOM 0 HA THR A 52 16.018 -3.352 11.547 1.00 72.43 H new ATOM 0 HB THR A 52 17.244 -1.274 12.637 1.00 74.54 H new ATOM 0 HG1 THR A 52 16.946 -0.297 10.282 1.00 55.04 H new ATOM 0 HG21 THR A 52 19.421 -2.245 12.005 1.00 25.45 H new ATOM 0 HG22 THR A 52 18.227 -3.506 12.393 1.00 25.45 H new ATOM 0 HG23 THR A 52 18.631 -3.154 10.696 1.00 25.45 H new ATOM 622 N ASP A 53 14.917 -1.373 13.104 1.00 53.35 N ATOM 623 CA ASP A 53 13.867 -0.637 13.799 1.00 30.20 C ATOM 624 C ASP A 53 14.364 0.738 14.234 1.00 31.24 C ATOM 625 O ASP A 53 13.671 1.463 14.948 1.00 34.34 O ATOM 626 CB ASP A 53 13.382 -1.427 15.016 1.00 51.32 C ATOM 627 CG ASP A 53 11.891 -1.276 15.247 1.00 2.43 C ATOM 628 OD1 ASP A 53 11.111 -1.984 14.576 1.00 4.20 O ATOM 629 OD2 ASP A 53 11.504 -0.450 16.100 1.00 4.13 O ATOM 0 H ASP A 53 15.649 -1.740 13.712 1.00 53.35 H new ATOM 0 HA ASP A 53 13.035 -0.500 13.109 1.00 30.20 H new ATOM 0 HB2 ASP A 53 13.621 -2.482 14.880 1.00 51.32 H new ATOM 0 HB3 ASP A 53 13.920 -1.090 15.902 1.00 51.32 H new ATOM 634 N PHE A 54 15.570 1.090 13.801 1.00 54.35 N ATOM 635 CA PHE A 54 16.161 2.378 14.147 1.00 33.51 C ATOM 636 C PHE A 54 15.442 3.517 13.430 1.00 61.30 C ATOM 637 O PHE A 54 14.388 3.318 12.825 1.00 63.45 O ATOM 638 CB PHE A 54 17.648 2.392 13.789 1.00 2.53 C ATOM 639 CG PHE A 54 18.418 1.245 14.378 1.00 72.44 C ATOM 640 CD1 PHE A 54 18.565 1.123 15.750 1.00 75.51 C ATOM 641 CD2 PHE A 54 18.995 0.288 13.558 1.00 21.02 C ATOM 642 CE1 PHE A 54 19.272 0.067 16.295 1.00 52.33 C ATOM 643 CE2 PHE A 54 19.703 -0.770 14.097 1.00 1.41 C ATOM 644 CZ PHE A 54 19.843 -0.879 15.467 1.00 73.41 C ATOM 0 H PHE A 54 16.157 0.502 13.210 1.00 54.35 H new ATOM 0 HA PHE A 54 16.052 2.523 15.222 1.00 33.51 H new ATOM 0 HB2 PHE A 54 17.752 2.370 12.704 1.00 2.53 H new ATOM 0 HB3 PHE A 54 18.087 3.328 14.133 1.00 2.53 H new ATOM 0 HD1 PHE A 54 18.122 1.862 16.402 1.00 75.51 H new ATOM 0 HD2 PHE A 54 18.890 0.370 12.486 1.00 21.02 H new ATOM 0 HE1 PHE A 54 19.377 -0.018 17.367 1.00 52.33 H new ATOM 0 HE2 PHE A 54 20.146 -1.511 13.448 1.00 1.41 H new ATOM 0 HZ PHE A 54 20.398 -1.703 15.890 1.00 73.41 H new ATOM 654 N HIS A 55 16.019 4.712 13.503 1.00 24.23 N ATOM 655 CA HIS A 55 15.435 5.884 12.861 1.00 31.15 C ATOM 656 C HIS A 55 16.508 6.709 12.157 1.00 14.21 C ATOM 657 O HIS A 55 16.287 7.871 11.813 1.00 12.03 O ATOM 658 CB HIS A 55 14.707 6.746 13.893 1.00 53.32 C ATOM 659 CG HIS A 55 13.216 6.604 13.848 1.00 65.23 C ATOM 660 ND1 HIS A 55 12.572 5.394 13.992 1.00 35.41 N ATOM 661 CD2 HIS A 55 12.243 7.529 13.675 1.00 64.31 C ATOM 662 CE1 HIS A 55 11.266 5.580 13.908 1.00 24.02 C ATOM 663 NE2 HIS A 55 11.041 6.867 13.716 1.00 12.22 N ATOM 0 H HIS A 55 16.891 4.894 14.000 1.00 24.23 H new ATOM 0 HA HIS A 55 14.719 5.541 12.115 1.00 31.15 H new ATOM 0 HB2 HIS A 55 15.059 6.480 14.890 1.00 53.32 H new ATOM 0 HB3 HIS A 55 14.969 7.791 13.731 1.00 53.32 H new ATOM 0 HD1 HIS A 55 13.031 4.495 14.140 1.00 35.41 H new ATOM 0 HD2 HIS A 55 12.386 8.590 13.531 1.00 64.31 H new ATOM 0 HE1 HIS A 55 10.512 4.811 13.984 1.00 24.02 H new ATOM 671 N THR A 56 17.671 6.102 11.945 1.00 21.25 N ATOM 672 CA THR A 56 18.778 6.780 11.284 1.00 5.43 C ATOM 673 C THR A 56 20.005 5.879 11.201 1.00 0.15 C ATOM 674 O THR A 56 20.145 4.935 11.978 1.00 65.22 O ATOM 675 CB THR A 56 19.159 8.080 12.018 1.00 42.31 C ATOM 676 OG1 THR A 56 20.485 8.478 11.653 1.00 43.43 O ATOM 677 CG2 THR A 56 19.077 7.895 13.526 1.00 60.35 C ATOM 0 H THR A 56 17.871 5.141 12.222 1.00 21.25 H new ATOM 0 HA THR A 56 18.442 7.025 10.276 1.00 5.43 H new ATOM 0 HB THR A 56 18.453 8.857 11.724 1.00 42.31 H new ATOM 0 HG1 THR A 56 20.458 9.366 11.238 1.00 43.43 H new ATOM 0 HG21 THR A 56 19.350 8.826 14.022 1.00 60.35 H new ATOM 0 HG22 THR A 56 18.059 7.621 13.804 1.00 60.35 H new ATOM 0 HG23 THR A 56 19.762 7.105 13.833 1.00 60.35 H new ATOM 685 N GLU A 57 20.891 6.178 10.256 1.00 75.30 N ATOM 686 CA GLU A 57 22.106 5.393 10.073 1.00 73.30 C ATOM 687 C GLU A 57 22.951 5.395 11.343 1.00 23.03 C ATOM 688 O GLU A 57 23.469 4.359 11.760 1.00 24.21 O ATOM 689 CB GLU A 57 22.923 5.942 8.902 1.00 1.51 C ATOM 690 CG GLU A 57 22.098 6.202 7.653 1.00 42.41 C ATOM 691 CD GLU A 57 22.080 7.667 7.260 1.00 20.10 C ATOM 692 OE1 GLU A 57 21.450 8.468 7.982 1.00 72.43 O ATOM 693 OE2 GLU A 57 22.697 8.012 6.230 1.00 31.13 O ATOM 0 H GLU A 57 20.790 6.958 9.606 1.00 75.30 H new ATOM 0 HA GLU A 57 21.815 4.366 9.853 1.00 73.30 H new ATOM 0 HB2 GLU A 57 23.404 6.871 9.209 1.00 1.51 H new ATOM 0 HB3 GLU A 57 23.718 5.236 8.662 1.00 1.51 H new ATOM 0 HG2 GLU A 57 22.499 5.613 6.828 1.00 42.41 H new ATOM 0 HG3 GLU A 57 21.076 5.862 7.820 1.00 42.41 H new ATOM 700 N LYS A 58 23.087 6.567 11.954 1.00 21.14 N ATOM 701 CA LYS A 58 23.868 6.707 13.177 1.00 25.44 C ATOM 702 C LYS A 58 23.405 5.711 14.236 1.00 13.31 C ATOM 703 O LYS A 58 24.215 5.163 14.982 1.00 2.01 O ATOM 704 CB LYS A 58 23.755 8.133 13.719 1.00 3.42 C ATOM 705 CG LYS A 58 22.336 8.535 14.083 1.00 44.33 C ATOM 706 CD LYS A 58 22.054 9.982 13.712 1.00 21.41 C ATOM 707 CE LYS A 58 22.098 10.888 14.932 1.00 1.44 C ATOM 708 NZ LYS A 58 21.136 12.019 14.818 1.00 50.30 N ATOM 0 H LYS A 58 22.666 7.435 11.622 1.00 21.14 H new ATOM 0 HA LYS A 58 24.911 6.498 12.938 1.00 25.44 H new ATOM 0 HB2 LYS A 58 24.388 8.229 14.601 1.00 3.42 H new ATOM 0 HB3 LYS A 58 24.140 8.828 12.973 1.00 3.42 H new ATOM 0 HG2 LYS A 58 21.629 7.883 13.570 1.00 44.33 H new ATOM 0 HG3 LYS A 58 22.180 8.396 15.153 1.00 44.33 H new ATOM 0 HD2 LYS A 58 22.787 10.320 12.979 1.00 21.41 H new ATOM 0 HD3 LYS A 58 21.074 10.053 13.239 1.00 21.41 H new ATOM 0 HE2 LYS A 58 21.870 10.306 15.825 1.00 1.44 H new ATOM 0 HE3 LYS A 58 23.107 11.281 15.056 1.00 1.44 H new ATOM 0 HZ1 LYS A 58 21.197 12.613 15.669 1.00 50.30 H new ATOM 0 HZ2 LYS A 58 21.369 12.590 13.980 1.00 50.30 H new ATOM 0 HZ3 LYS A 58 20.170 11.645 14.725 1.00 50.30 H new ATOM 722 N GLU A 59 22.096 5.482 14.294 1.00 4.30 N ATOM 723 CA GLU A 59 21.526 4.552 15.261 1.00 5.05 C ATOM 724 C GLU A 59 21.961 3.120 14.961 1.00 5.52 C ATOM 725 O GLU A 59 22.224 2.335 15.873 1.00 44.11 O ATOM 726 CB GLU A 59 19.999 4.645 15.253 1.00 22.02 C ATOM 727 CG GLU A 59 19.441 5.582 16.311 1.00 73.11 C ATOM 728 CD GLU A 59 17.998 5.274 16.660 1.00 33.42 C ATOM 729 OE1 GLU A 59 17.661 4.079 16.794 1.00 25.44 O ATOM 730 OE2 GLU A 59 17.205 6.228 16.800 1.00 53.35 O ATOM 0 H GLU A 59 21.412 5.928 13.683 1.00 4.30 H new ATOM 0 HA GLU A 59 21.894 4.826 16.250 1.00 5.05 H new ATOM 0 HB2 GLU A 59 19.669 4.982 14.270 1.00 22.02 H new ATOM 0 HB3 GLU A 59 19.582 3.649 15.405 1.00 22.02 H new ATOM 0 HG2 GLU A 59 20.052 5.512 17.211 1.00 73.11 H new ATOM 0 HG3 GLU A 59 19.514 6.610 15.956 1.00 73.11 H new ATOM 737 N LEU A 60 22.035 2.788 13.677 1.00 35.11 N ATOM 738 CA LEU A 60 22.437 1.451 13.255 1.00 61.31 C ATOM 739 C LEU A 60 23.926 1.227 13.500 1.00 12.34 C ATOM 740 O LEU A 60 24.333 0.174 13.989 1.00 11.55 O ATOM 741 CB LEU A 60 22.116 1.244 11.774 1.00 42.14 C ATOM 742 CG LEU A 60 21.795 -0.190 11.350 1.00 14.51 C ATOM 743 CD1 LEU A 60 21.632 -0.276 9.841 1.00 61.55 C ATOM 744 CD2 LEU A 60 22.880 -1.143 11.827 1.00 4.13 C ATOM 0 H LEU A 60 21.822 3.426 12.910 1.00 35.11 H new ATOM 0 HA LEU A 60 21.877 0.727 13.847 1.00 61.31 H new ATOM 0 HB2 LEU A 60 21.267 1.877 11.515 1.00 42.14 H new ATOM 0 HB3 LEU A 60 22.965 1.594 11.187 1.00 42.14 H new ATOM 0 HG LEU A 60 20.853 -0.484 11.814 1.00 14.51 H new ATOM 0 HD11 LEU A 60 21.404 -1.304 9.558 1.00 61.55 H new ATOM 0 HD12 LEU A 60 20.818 0.377 9.525 1.00 61.55 H new ATOM 0 HD13 LEU A 60 22.557 0.037 9.357 1.00 61.55 H new ATOM 0 HD21 LEU A 60 22.635 -2.159 11.516 1.00 4.13 H new ATOM 0 HD22 LEU A 60 23.837 -0.852 11.393 1.00 4.13 H new ATOM 0 HD23 LEU A 60 22.948 -1.103 12.914 1.00 4.13 H new ATOM 756 N ASN A 61 24.733 2.226 13.159 1.00 1.42 N ATOM 757 CA ASN A 61 26.177 2.140 13.344 1.00 21.43 C ATOM 758 C ASN A 61 26.541 2.201 14.825 1.00 75.32 C ATOM 759 O ASN A 61 27.389 1.445 15.298 1.00 65.12 O ATOM 760 CB ASN A 61 26.878 3.270 12.588 1.00 0.35 C ATOM 761 CG ASN A 61 26.983 2.993 11.101 1.00 4.22 C ATOM 762 OD1 ASN A 61 26.620 3.830 10.275 1.00 15.42 O ATOM 763 ND2 ASN A 61 27.483 1.813 10.753 1.00 31.04 N ATOM 0 H ASN A 61 24.412 3.105 12.753 1.00 1.42 H new ATOM 0 HA ASN A 61 26.512 1.183 12.945 1.00 21.43 H new ATOM 0 HB2 ASN A 61 26.332 4.201 12.744 1.00 0.35 H new ATOM 0 HB3 ASN A 61 27.877 3.414 12.999 1.00 0.35 H new ATOM 0 HD21 ASN A 61 27.579 1.570 9.767 1.00 31.04 H new ATOM 0 HD22 ASN A 61 27.771 1.149 11.472 1.00 31.04 H new ATOM 770 N ASP A 62 25.892 3.105 15.551 1.00 72.45 N ATOM 771 CA ASP A 62 26.145 3.264 16.978 1.00 72.21 C ATOM 772 C ASP A 62 25.690 2.030 17.751 1.00 0.13 C ATOM 773 O ASP A 62 26.345 1.604 18.703 1.00 71.12 O ATOM 774 CB ASP A 62 25.429 4.507 17.509 1.00 73.40 C ATOM 775 CG ASP A 62 26.061 5.794 17.017 1.00 74.34 C ATOM 776 OD1 ASP A 62 27.018 5.717 16.219 1.00 22.31 O ATOM 777 OD2 ASP A 62 25.598 6.878 17.429 1.00 1.04 O ATOM 0 H ASP A 62 25.187 3.739 15.175 1.00 72.45 H new ATOM 0 HA ASP A 62 27.219 3.384 17.121 1.00 72.21 H new ATOM 0 HB2 ASP A 62 24.383 4.479 17.203 1.00 73.40 H new ATOM 0 HB3 ASP A 62 25.442 4.493 18.599 1.00 73.40 H new ATOM 782 N LYS A 63 24.563 1.461 17.337 1.00 22.42 N ATOM 783 CA LYS A 63 24.020 0.276 17.990 1.00 75.51 C ATOM 784 C LYS A 63 25.041 -0.857 17.999 1.00 31.33 C ATOM 785 O LYS A 63 25.067 -1.676 18.920 1.00 41.35 O ATOM 786 CB LYS A 63 22.742 -0.181 17.282 1.00 61.24 C ATOM 787 CG LYS A 63 22.415 -1.648 17.503 1.00 12.33 C ATOM 788 CD LYS A 63 22.824 -2.497 16.312 1.00 44.25 C ATOM 789 CE LYS A 63 23.787 -3.601 16.719 1.00 63.41 C ATOM 790 NZ LYS A 63 23.091 -4.905 16.900 1.00 61.44 N ATOM 0 H LYS A 63 24.008 1.802 16.552 1.00 22.42 H new ATOM 0 HA LYS A 63 23.784 0.537 19.022 1.00 75.51 H new ATOM 0 HB2 LYS A 63 21.906 0.425 17.632 1.00 61.24 H new ATOM 0 HB3 LYS A 63 22.844 0.003 16.212 1.00 61.24 H new ATOM 0 HG2 LYS A 63 22.926 -2.005 18.397 1.00 12.33 H new ATOM 0 HG3 LYS A 63 21.345 -1.760 17.681 1.00 12.33 H new ATOM 0 HD2 LYS A 63 21.937 -2.936 15.855 1.00 44.25 H new ATOM 0 HD3 LYS A 63 23.291 -1.865 15.557 1.00 44.25 H new ATOM 0 HE2 LYS A 63 24.562 -3.705 15.960 1.00 63.41 H new ATOM 0 HE3 LYS A 63 24.286 -3.324 17.648 1.00 63.41 H new ATOM 0 HZ1 LYS A 63 23.681 -5.670 16.515 1.00 61.44 H new ATOM 0 HZ2 LYS A 63 22.925 -5.072 17.913 1.00 61.44 H new ATOM 0 HZ3 LYS A 63 22.180 -4.885 16.398 1.00 61.44 H new ATOM 804 N LEU A 64 25.881 -0.898 16.971 1.00 23.43 N ATOM 805 CA LEU A 64 26.907 -1.931 16.862 1.00 15.51 C ATOM 806 C LEU A 64 27.694 -2.056 18.163 1.00 74.14 C ATOM 807 O LEU A 64 28.109 -3.149 18.545 1.00 43.01 O ATOM 808 CB LEU A 64 27.857 -1.613 15.706 1.00 13.12 C ATOM 809 CG LEU A 64 27.218 -1.509 14.321 1.00 75.00 C ATOM 810 CD1 LEU A 64 28.170 -2.025 13.254 1.00 51.05 C ATOM 811 CD2 LEU A 64 25.903 -2.275 14.281 1.00 23.23 C ATOM 0 H LEU A 64 25.873 -0.229 16.201 1.00 23.43 H new ATOM 0 HA LEU A 64 26.412 -2.882 16.666 1.00 15.51 H new ATOM 0 HB2 LEU A 64 28.359 -0.671 15.924 1.00 13.12 H new ATOM 0 HB3 LEU A 64 28.627 -2.384 15.672 1.00 13.12 H new ATOM 0 HG LEU A 64 27.010 -0.459 14.116 1.00 75.00 H new ATOM 0 HD11 LEU A 64 27.698 -1.943 12.275 1.00 51.05 H new ATOM 0 HD12 LEU A 64 29.085 -1.433 13.266 1.00 51.05 H new ATOM 0 HD13 LEU A 64 28.410 -3.069 13.455 1.00 51.05 H new ATOM 0 HD21 LEU A 64 25.462 -2.190 13.288 1.00 23.23 H new ATOM 0 HD22 LEU A 64 26.087 -3.325 14.508 1.00 23.23 H new ATOM 0 HD23 LEU A 64 25.217 -1.859 15.019 1.00 23.23 H new ATOM 823 N ASN A 65 27.893 -0.929 18.839 1.00 75.40 N ATOM 824 CA ASN A 65 28.628 -0.914 20.098 1.00 3.41 C ATOM 825 C ASN A 65 28.051 -1.930 21.078 1.00 31.14 C ATOM 826 O ASN A 65 28.791 -2.633 21.767 1.00 14.24 O ATOM 827 CB ASN A 65 28.592 0.485 20.716 1.00 1.54 C ATOM 828 CG ASN A 65 29.574 1.435 20.057 1.00 20.40 C ATOM 829 OD1 ASN A 65 30.757 1.123 19.917 1.00 52.12 O ATOM 830 ND2 ASN A 65 29.086 2.600 19.649 1.00 44.43 N ATOM 0 H ASN A 65 27.556 -0.015 18.536 1.00 75.40 H new ATOM 0 HA ASN A 65 29.663 -1.186 19.889 1.00 3.41 H new ATOM 0 HB2 ASN A 65 27.584 0.891 20.630 1.00 1.54 H new ATOM 0 HB3 ASN A 65 28.817 0.415 21.780 1.00 1.54 H new ATOM 0 HD21 ASN A 65 29.699 3.280 19.198 1.00 44.43 H new ATOM 0 HD22 ASN A 65 28.098 2.815 19.786 1.00 44.43 H new ATOM 837 N ASP A 66 26.726 -2.003 21.135 1.00 53.44 N ATOM 838 CA ASP A 66 26.048 -2.934 22.029 1.00 62.21 C ATOM 839 C ASP A 66 26.391 -4.377 21.672 1.00 61.13 C ATOM 840 O ASP A 66 26.628 -5.205 22.551 1.00 25.43 O ATOM 841 CB ASP A 66 24.534 -2.726 21.965 1.00 3.02 C ATOM 842 CG ASP A 66 23.996 -2.015 23.191 1.00 54.31 C ATOM 843 OD1 ASP A 66 23.971 -0.766 23.190 1.00 54.15 O ATOM 844 OD2 ASP A 66 23.598 -2.707 24.151 1.00 3.22 O ATOM 0 H ASP A 66 26.099 -1.428 20.572 1.00 53.44 H new ATOM 0 HA ASP A 66 26.391 -2.738 23.045 1.00 62.21 H new ATOM 0 HB2 ASP A 66 24.287 -2.147 21.075 1.00 3.02 H new ATOM 0 HB3 ASP A 66 24.041 -3.693 21.864 1.00 3.02 H new ATOM 849 N TYR A 67 26.414 -4.671 20.377 1.00 42.04 N ATOM 850 CA TYR A 67 26.724 -6.015 19.903 1.00 4.31 C ATOM 851 C TYR A 67 28.214 -6.312 20.044 1.00 2.34 C ATOM 852 O TYR A 67 28.612 -7.455 20.271 1.00 43.42 O ATOM 853 CB TYR A 67 26.297 -6.175 18.443 1.00 4.11 C ATOM 854 CG TYR A 67 27.449 -6.446 17.502 1.00 70.24 C ATOM 855 CD1 TYR A 67 28.000 -7.717 17.396 1.00 64.24 C ATOM 856 CD2 TYR A 67 27.986 -5.432 16.719 1.00 3.20 C ATOM 857 CE1 TYR A 67 29.053 -7.970 16.537 1.00 1.23 C ATOM 858 CE2 TYR A 67 29.038 -5.675 15.857 1.00 32.50 C ATOM 859 CZ TYR A 67 29.568 -6.946 15.770 1.00 50.21 C ATOM 860 OH TYR A 67 30.616 -7.192 14.913 1.00 25.34 O ATOM 0 H TYR A 67 26.222 -3.997 19.636 1.00 42.04 H new ATOM 0 HA TYR A 67 26.170 -6.726 20.516 1.00 4.31 H new ATOM 0 HB2 TYR A 67 25.579 -6.992 18.370 1.00 4.11 H new ATOM 0 HB3 TYR A 67 25.782 -5.269 18.122 1.00 4.11 H new ATOM 0 HD1 TYR A 67 27.599 -8.521 17.995 1.00 64.24 H new ATOM 0 HD2 TYR A 67 27.574 -4.436 16.785 1.00 3.20 H new ATOM 0 HE1 TYR A 67 29.470 -8.964 16.467 1.00 1.23 H new ATOM 0 HE2 TYR A 67 29.443 -4.875 15.255 1.00 32.50 H new ATOM 0 HH TYR A 67 31.247 -7.810 15.337 1.00 25.34 H new ATOM 870 N TYR A 68 29.033 -5.274 19.910 1.00 73.21 N ATOM 871 CA TYR A 68 30.479 -5.422 20.020 1.00 30.35 C ATOM 872 C TYR A 68 30.854 -6.174 21.294 1.00 72.21 C ATOM 873 O TYR A 68 31.833 -6.919 21.323 1.00 3.51 O ATOM 874 CB TYR A 68 31.156 -4.051 20.007 1.00 53.40 C ATOM 875 CG TYR A 68 31.692 -3.653 18.650 1.00 23.53 C ATOM 876 CD1 TYR A 68 32.841 -4.242 18.136 1.00 2.32 C ATOM 877 CD2 TYR A 68 31.049 -2.690 17.882 1.00 24.51 C ATOM 878 CE1 TYR A 68 33.335 -3.881 16.898 1.00 63.24 C ATOM 879 CE2 TYR A 68 31.536 -2.325 16.642 1.00 55.24 C ATOM 880 CZ TYR A 68 32.679 -2.923 16.154 1.00 11.41 C ATOM 881 OH TYR A 68 33.167 -2.562 14.919 1.00 1.11 O ATOM 0 H TYR A 68 28.720 -4.321 19.725 1.00 73.21 H new ATOM 0 HA TYR A 68 30.826 -5.999 19.163 1.00 30.35 H new ATOM 0 HB2 TYR A 68 30.441 -3.299 20.341 1.00 53.40 H new ATOM 0 HB3 TYR A 68 31.975 -4.053 20.726 1.00 53.40 H new ATOM 0 HD1 TYR A 68 33.356 -4.995 18.714 1.00 2.32 H new ATOM 0 HD2 TYR A 68 30.154 -2.219 18.261 1.00 24.51 H new ATOM 0 HE1 TYR A 68 34.231 -4.347 16.514 1.00 63.24 H new ATOM 0 HE2 TYR A 68 31.024 -1.575 16.057 1.00 55.24 H new ATOM 0 HH TYR A 68 32.588 -1.876 14.526 1.00 1.11 H new ATOM 891 N ALA A 69 30.066 -5.974 22.345 1.00 13.12 N ATOM 892 CA ALA A 69 30.312 -6.634 23.621 1.00 32.12 C ATOM 893 C ALA A 69 30.336 -8.150 23.459 1.00 35.23 C ATOM 894 O ALA A 69 31.059 -8.849 24.170 1.00 62.53 O ATOM 895 CB ALA A 69 29.256 -6.226 24.639 1.00 64.45 C ATOM 0 H ALA A 69 29.252 -5.360 22.338 1.00 13.12 H new ATOM 0 HA ALA A 69 31.290 -6.318 23.983 1.00 32.12 H new ATOM 0 HB1 ALA A 69 29.452 -6.726 25.587 1.00 64.45 H new ATOM 0 HB2 ALA A 69 29.289 -5.146 24.785 1.00 64.45 H new ATOM 0 HB3 ALA A 69 28.269 -6.513 24.275 1.00 64.45 H new ATOM 901 N LEU A 70 29.540 -8.653 22.522 1.00 51.22 N ATOM 902 CA LEU A 70 29.469 -10.087 22.267 1.00 60.41 C ATOM 903 C LEU A 70 30.827 -10.632 21.836 1.00 3.32 C ATOM 904 O LEU A 70 31.074 -11.836 21.898 1.00 74.54 O ATOM 905 CB LEU A 70 28.424 -10.383 21.190 1.00 34.11 C ATOM 906 CG LEU A 70 27.850 -11.800 21.183 1.00 35.31 C ATOM 907 CD1 LEU A 70 26.359 -11.774 21.483 1.00 11.13 C ATOM 908 CD2 LEU A 70 28.114 -12.476 19.846 1.00 61.24 C ATOM 0 H LEU A 70 28.934 -8.089 21.926 1.00 51.22 H new ATOM 0 HA LEU A 70 29.177 -10.581 23.194 1.00 60.41 H new ATOM 0 HB2 LEU A 70 27.600 -9.679 21.309 1.00 34.11 H new ATOM 0 HB3 LEU A 70 28.871 -10.189 20.215 1.00 34.11 H new ATOM 0 HG LEU A 70 28.347 -12.376 21.964 1.00 35.31 H new ATOM 0 HD11 LEU A 70 25.968 -12.791 21.474 1.00 11.13 H new ATOM 0 HD12 LEU A 70 26.193 -11.331 22.465 1.00 11.13 H new ATOM 0 HD13 LEU A 70 25.846 -11.181 20.726 1.00 11.13 H new ATOM 0 HD21 LEU A 70 27.698 -13.484 19.859 1.00 61.24 H new ATOM 0 HD22 LEU A 70 27.644 -11.900 19.048 1.00 61.24 H new ATOM 0 HD23 LEU A 70 29.189 -12.529 19.671 1.00 61.24 H new ATOM 920 N LYS A 71 31.707 -9.736 21.402 1.00 42.20 N ATOM 921 CA LYS A 71 33.043 -10.124 20.964 1.00 34.11 C ATOM 922 C LYS A 71 33.711 -11.030 21.993 1.00 34.33 C ATOM 923 O LYS A 71 34.500 -11.908 21.643 1.00 45.20 O ATOM 924 CB LYS A 71 33.905 -8.882 20.726 1.00 31.41 C ATOM 925 CG LYS A 71 34.354 -8.199 22.006 1.00 31.33 C ATOM 926 CD LYS A 71 35.280 -7.030 21.719 1.00 44.32 C ATOM 927 CE LYS A 71 34.505 -5.804 21.260 1.00 20.22 C ATOM 928 NZ LYS A 71 33.751 -5.174 22.379 1.00 33.30 N ATOM 0 H LYS A 71 31.519 -8.735 21.344 1.00 42.20 H new ATOM 0 HA LYS A 71 32.946 -10.676 20.029 1.00 34.11 H new ATOM 0 HB2 LYS A 71 34.784 -9.166 20.148 1.00 31.41 H new ATOM 0 HB3 LYS A 71 33.343 -8.170 20.122 1.00 31.41 H new ATOM 0 HG2 LYS A 71 33.482 -7.847 22.557 1.00 31.33 H new ATOM 0 HG3 LYS A 71 34.864 -8.920 22.645 1.00 31.33 H new ATOM 0 HD2 LYS A 71 35.849 -6.787 22.616 1.00 44.32 H new ATOM 0 HD3 LYS A 71 36.000 -7.315 20.952 1.00 44.32 H new ATOM 0 HE2 LYS A 71 35.195 -5.077 20.832 1.00 20.22 H new ATOM 0 HE3 LYS A 71 33.811 -6.088 20.469 1.00 20.22 H new ATOM 0 HZ1 LYS A 71 33.521 -4.190 22.132 1.00 33.30 H new ATOM 0 HZ2 LYS A 71 32.871 -5.703 22.546 1.00 33.30 H new ATOM 0 HZ3 LYS A 71 34.333 -5.188 23.241 1.00 33.30 H new ATOM 942 N HIS A 72 33.388 -10.813 23.264 1.00 32.34 N ATOM 943 CA HIS A 72 33.955 -11.612 24.345 1.00 65.44 C ATOM 944 C HIS A 72 33.803 -13.103 24.056 1.00 53.31 C ATOM 945 O HIS A 72 34.711 -13.892 24.316 1.00 71.21 O ATOM 946 CB HIS A 72 33.281 -11.266 25.672 1.00 32.32 C ATOM 947 CG HIS A 72 34.248 -10.966 26.775 1.00 2.23 C ATOM 948 ND1 HIS A 72 35.342 -11.758 27.054 1.00 70.13 N ATOM 949 CD2 HIS A 72 34.283 -9.951 27.671 1.00 73.32 C ATOM 950 CE1 HIS A 72 36.006 -11.245 28.074 1.00 43.12 C ATOM 951 NE2 HIS A 72 35.385 -10.148 28.466 1.00 15.25 N ATOM 0 H HIS A 72 32.737 -10.091 23.571 1.00 32.34 H new ATOM 0 HA HIS A 72 35.018 -11.380 24.416 1.00 65.44 H new ATOM 0 HB2 HIS A 72 32.631 -10.404 25.526 1.00 32.32 H new ATOM 0 HB3 HIS A 72 32.644 -12.098 25.974 1.00 32.32 H new ATOM 0 HD2 HIS A 72 33.576 -9.138 27.746 1.00 73.32 H new ATOM 0 HE1 HIS A 72 36.904 -11.654 28.513 1.00 43.12 H new ATOM 0 HE2 HIS A 72 35.677 -9.545 29.235 1.00 15.25 H new ATOM 959 N VAL A 73 32.648 -13.481 23.518 1.00 73.04 N ATOM 960 CA VAL A 73 32.376 -14.876 23.193 1.00 31.34 C ATOM 961 C VAL A 73 32.662 -15.165 21.724 1.00 54.21 C ATOM 962 O VAL A 73 31.920 -14.757 20.830 1.00 73.31 O ATOM 963 CB VAL A 73 30.914 -15.250 23.504 1.00 64.30 C ATOM 964 CG1 VAL A 73 30.646 -16.702 23.139 1.00 34.42 C ATOM 965 CG2 VAL A 73 30.599 -14.993 24.970 1.00 70.03 C ATOM 0 H VAL A 73 31.885 -12.840 23.298 1.00 73.04 H new ATOM 0 HA VAL A 73 33.038 -15.480 23.814 1.00 31.34 H new ATOM 0 HB VAL A 73 30.259 -14.622 22.900 1.00 64.30 H new ATOM 0 HG11 VAL A 73 29.609 -16.949 23.365 1.00 34.42 H new ATOM 0 HG12 VAL A 73 30.830 -16.850 22.075 1.00 34.42 H new ATOM 0 HG13 VAL A 73 31.307 -17.350 23.715 1.00 34.42 H new ATOM 0 HG21 VAL A 73 29.562 -15.263 25.172 1.00 70.03 H new ATOM 0 HG22 VAL A 73 31.259 -15.595 25.595 1.00 70.03 H new ATOM 0 HG23 VAL A 73 30.750 -13.937 25.195 1.00 70.03 H new ATOM 975 N PRO A 74 33.763 -15.885 21.466 1.00 61.43 N ATOM 976 CA PRO A 74 34.172 -16.246 20.105 1.00 42.10 C ATOM 977 C PRO A 74 33.236 -17.268 19.470 1.00 73.03 C ATOM 978 O PRO A 74 33.050 -17.284 18.253 1.00 43.33 O ATOM 979 CB PRO A 74 35.566 -16.847 20.301 1.00 21.23 C ATOM 980 CG PRO A 74 35.569 -17.348 21.704 1.00 15.24 C ATOM 981 CD PRO A 74 34.694 -16.404 22.482 1.00 34.13 C ATOM 0 HA PRO A 74 34.153 -15.388 19.433 1.00 42.10 H new ATOM 0 HB2 PRO A 74 35.752 -17.654 19.592 1.00 21.23 H new ATOM 0 HB3 PRO A 74 36.345 -16.100 20.146 1.00 21.23 H new ATOM 0 HG2 PRO A 74 35.186 -18.367 21.755 1.00 15.24 H new ATOM 0 HG3 PRO A 74 36.581 -17.367 22.110 1.00 15.24 H new ATOM 0 HD2 PRO A 74 34.166 -16.916 23.286 1.00 34.13 H new ATOM 0 HD3 PRO A 74 35.275 -15.604 22.941 1.00 34.13 H new ATOM 989 N LYS A 75 32.647 -18.121 20.301 1.00 13.22 N ATOM 990 CA LYS A 75 31.727 -19.146 19.822 1.00 43.02 C ATOM 991 C LYS A 75 30.555 -18.519 19.074 1.00 12.25 C ATOM 992 O LYS A 75 30.193 -18.961 17.983 1.00 0.44 O ATOM 993 CB LYS A 75 31.210 -19.984 20.993 1.00 32.01 C ATOM 994 CG LYS A 75 32.293 -20.788 21.691 1.00 0.23 C ATOM 995 CD LYS A 75 32.492 -22.144 21.035 1.00 14.12 C ATOM 996 CE LYS A 75 33.686 -22.138 20.093 1.00 12.23 C ATOM 997 NZ LYS A 75 34.929 -22.599 20.771 1.00 70.41 N ATOM 0 H LYS A 75 32.791 -18.123 21.311 1.00 13.22 H new ATOM 0 HA LYS A 75 32.270 -19.793 19.133 1.00 43.02 H new ATOM 0 HB2 LYS A 75 30.734 -19.324 21.719 1.00 32.01 H new ATOM 0 HB3 LYS A 75 30.441 -20.665 20.629 1.00 32.01 H new ATOM 0 HG2 LYS A 75 33.230 -20.232 21.670 1.00 0.23 H new ATOM 0 HG3 LYS A 75 32.027 -20.925 22.739 1.00 0.23 H new ATOM 0 HD2 LYS A 75 32.637 -22.903 21.803 1.00 14.12 H new ATOM 0 HD3 LYS A 75 31.593 -22.418 20.483 1.00 14.12 H new ATOM 0 HE2 LYS A 75 33.478 -22.782 19.239 1.00 12.23 H new ATOM 0 HE3 LYS A 75 33.837 -21.131 19.704 1.00 12.23 H new ATOM 0 HZ1 LYS A 75 35.720 -22.581 20.096 1.00 70.41 H new ATOM 0 HZ2 LYS A 75 35.142 -21.970 21.571 1.00 70.41 H new ATOM 0 HZ3 LYS A 75 34.794 -23.569 21.120 1.00 70.41 H new ATOM 1011 N CYS A 76 29.965 -17.486 19.668 1.00 63.24 N ATOM 1012 CA CYS A 76 28.834 -16.797 19.058 1.00 23.11 C ATOM 1013 C CYS A 76 29.311 -15.662 18.156 1.00 73.42 C ATOM 1014 O CYS A 76 28.678 -15.351 17.147 1.00 51.30 O ATOM 1015 CB CYS A 76 27.903 -16.246 20.140 1.00 73.54 C ATOM 1016 SG CYS A 76 26.243 -16.998 20.144 1.00 1.43 S ATOM 0 H CYS A 76 30.252 -17.108 20.571 1.00 63.24 H new ATOM 0 HA CYS A 76 28.287 -17.517 18.449 1.00 23.11 H new ATOM 0 HB2 CYS A 76 28.364 -16.403 21.115 1.00 73.54 H new ATOM 0 HB3 CYS A 76 27.802 -15.169 20.004 1.00 73.54 H new ATOM 1021 N TRP A 77 30.429 -15.050 18.526 1.00 2.22 N ATOM 1022 CA TRP A 77 30.991 -13.950 17.750 1.00 11.24 C ATOM 1023 C TRP A 77 31.198 -14.359 16.296 1.00 21.34 C ATOM 1024 O TRP A 77 30.712 -13.697 15.380 1.00 4.32 O ATOM 1025 CB TRP A 77 32.318 -13.495 18.359 1.00 2.21 C ATOM 1026 CG TRP A 77 33.232 -12.839 17.369 1.00 62.24 C ATOM 1027 CD1 TRP A 77 34.539 -13.154 17.126 1.00 73.25 C ATOM 1028 CD2 TRP A 77 32.909 -11.756 16.490 1.00 15.12 C ATOM 1029 NE1 TRP A 77 35.047 -12.332 16.149 1.00 53.11 N ATOM 1030 CE2 TRP A 77 34.066 -11.466 15.742 1.00 4.01 C ATOM 1031 CE3 TRP A 77 31.753 -11.004 16.261 1.00 20.22 C ATOM 1032 CZ2 TRP A 77 34.100 -10.456 14.784 1.00 33.21 C ATOM 1033 CZ3 TRP A 77 31.788 -10.002 15.310 1.00 31.13 C ATOM 1034 CH2 TRP A 77 32.954 -9.736 14.581 1.00 41.13 C ATOM 0 H TRP A 77 30.965 -15.296 19.358 1.00 2.22 H new ATOM 0 HA TRP A 77 30.284 -13.121 17.777 1.00 11.24 H new ATOM 0 HB2 TRP A 77 32.116 -12.799 19.173 1.00 2.21 H new ATOM 0 HB3 TRP A 77 32.824 -14.357 18.794 1.00 2.21 H new ATOM 0 HD1 TRP A 77 35.092 -13.934 17.628 1.00 73.25 H new ATOM 0 HE1 TRP A 77 36.000 -12.362 15.786 1.00 53.11 H new ATOM 0 HE3 TRP A 77 30.849 -11.203 16.817 1.00 20.22 H new ATOM 0 HZ2 TRP A 77 34.998 -10.248 14.222 1.00 33.21 H new ATOM 0 HZ3 TRP A 77 30.901 -9.414 15.126 1.00 31.13 H new ATOM 0 HH2 TRP A 77 32.949 -8.947 13.844 1.00 41.13 H new ATOM 1045 N ALA A 78 31.922 -15.455 16.092 1.00 32.11 N ATOM 1046 CA ALA A 78 32.191 -15.954 14.749 1.00 12.51 C ATOM 1047 C ALA A 78 30.912 -16.444 14.079 1.00 13.21 C ATOM 1048 O ALA A 78 30.890 -16.704 12.876 1.00 1.44 O ATOM 1049 CB ALA A 78 33.225 -17.069 14.797 1.00 14.22 C ATOM 0 H ALA A 78 32.333 -16.014 16.840 1.00 32.11 H new ATOM 0 HA ALA A 78 32.588 -15.131 14.155 1.00 12.51 H new ATOM 0 HB1 ALA A 78 33.416 -17.432 13.787 1.00 14.22 H new ATOM 0 HB2 ALA A 78 34.151 -16.688 15.227 1.00 14.22 H new ATOM 0 HB3 ALA A 78 32.850 -17.887 15.412 1.00 14.22 H new ATOM 1055 N ALA A 79 29.848 -16.569 14.866 1.00 53.35 N ATOM 1056 CA ALA A 79 28.564 -17.027 14.348 1.00 45.24 C ATOM 1057 C ALA A 79 27.874 -15.930 13.544 1.00 61.35 C ATOM 1058 O ALA A 79 27.160 -16.210 12.580 1.00 21.42 O ATOM 1059 CB ALA A 79 27.670 -17.490 15.488 1.00 62.31 C ATOM 0 H ALA A 79 29.850 -16.360 15.864 1.00 53.35 H new ATOM 0 HA ALA A 79 28.749 -17.869 13.681 1.00 45.24 H new ATOM 0 HB1 ALA A 79 26.715 -17.829 15.087 1.00 62.31 H new ATOM 0 HB2 ALA A 79 28.153 -18.311 16.019 1.00 62.31 H new ATOM 0 HB3 ALA A 79 27.501 -16.662 16.177 1.00 62.31 H new ATOM 1065 N ILE A 80 28.091 -14.683 13.946 1.00 51.45 N ATOM 1066 CA ILE A 80 27.489 -13.545 13.261 1.00 4.34 C ATOM 1067 C ILE A 80 28.482 -12.889 12.307 1.00 21.43 C ATOM 1068 O ILE A 80 28.284 -11.755 11.874 1.00 52.15 O ATOM 1069 CB ILE A 80 26.983 -12.489 14.262 1.00 24.34 C ATOM 1070 CG1 ILE A 80 25.940 -11.587 13.601 1.00 13.32 C ATOM 1071 CG2 ILE A 80 28.145 -11.663 14.794 1.00 63.50 C ATOM 1072 CD1 ILE A 80 25.498 -10.433 14.475 1.00 72.53 C ATOM 0 H ILE A 80 28.679 -14.434 14.742 1.00 51.45 H new ATOM 0 HA ILE A 80 26.643 -13.931 12.692 1.00 4.34 H new ATOM 0 HB ILE A 80 26.513 -13.002 15.101 1.00 24.34 H new ATOM 0 HG12 ILE A 80 26.350 -11.192 12.671 1.00 13.32 H new ATOM 0 HG13 ILE A 80 25.069 -12.186 13.336 1.00 13.32 H new ATOM 0 HG21 ILE A 80 27.771 -10.921 15.500 1.00 63.50 H new ATOM 0 HG22 ILE A 80 28.856 -12.318 15.298 1.00 63.50 H new ATOM 0 HG23 ILE A 80 28.641 -11.157 13.966 1.00 63.50 H new ATOM 0 HD11 ILE A 80 24.758 -9.836 13.942 1.00 72.53 H new ATOM 0 HD12 ILE A 80 25.058 -10.820 15.394 1.00 72.53 H new ATOM 0 HD13 ILE A 80 26.359 -9.811 14.719 1.00 72.53 H new ATOM 1084 N GLN A 81 29.549 -13.613 11.984 1.00 42.32 N ATOM 1085 CA GLN A 81 30.572 -13.101 11.080 1.00 65.44 C ATOM 1086 C GLN A 81 29.977 -12.773 9.714 1.00 4.54 C ATOM 1087 O GLN A 81 29.966 -11.622 9.276 1.00 61.23 O ATOM 1088 CB GLN A 81 31.702 -14.121 10.925 1.00 71.34 C ATOM 1089 CG GLN A 81 33.027 -13.655 11.507 1.00 74.25 C ATOM 1090 CD GLN A 81 33.908 -14.807 11.948 1.00 34.22 C ATOM 1091 OE1 GLN A 81 33.911 -15.873 11.332 1.00 72.23 O ATOM 1092 NE2 GLN A 81 34.662 -14.599 13.021 1.00 15.32 N ATOM 0 H GLN A 81 29.727 -14.554 12.334 1.00 42.32 H new ATOM 0 HA GLN A 81 30.975 -12.184 11.510 1.00 65.44 H new ATOM 0 HB2 GLN A 81 31.409 -15.052 11.410 1.00 71.34 H new ATOM 0 HB3 GLN A 81 31.838 -14.342 9.866 1.00 71.34 H new ATOM 0 HG2 GLN A 81 33.558 -13.061 10.763 1.00 74.25 H new ATOM 0 HG3 GLN A 81 32.836 -13.002 12.359 1.00 74.25 H new ATOM 0 HE21 GLN A 81 34.628 -13.700 13.501 1.00 15.32 H new ATOM 0 HE22 GLN A 81 35.275 -15.338 13.365 1.00 15.32 H new ATOM 1101 N PRO A 82 29.471 -13.805 9.025 1.00 71.52 N ATOM 1102 CA PRO A 82 28.865 -13.651 7.699 1.00 34.01 C ATOM 1103 C PRO A 82 27.534 -12.908 7.753 1.00 1.11 C ATOM 1104 O PRO A 82 27.183 -12.175 6.828 1.00 2.34 O ATOM 1105 CB PRO A 82 28.652 -15.094 7.236 1.00 64.43 C ATOM 1106 CG PRO A 82 28.549 -15.885 8.494 1.00 1.02 C ATOM 1107 CD PRO A 82 29.450 -15.204 9.486 1.00 5.44 C ATOM 0 HA PRO A 82 29.493 -13.062 7.030 1.00 34.01 H new ATOM 0 HB2 PRO A 82 27.748 -15.187 6.635 1.00 64.43 H new ATOM 0 HB3 PRO A 82 29.482 -15.438 6.619 1.00 64.43 H new ATOM 0 HG2 PRO A 82 27.521 -15.912 8.855 1.00 1.02 H new ATOM 0 HG3 PRO A 82 28.857 -16.918 8.332 1.00 1.02 H new ATOM 0 HD2 PRO A 82 29.064 -15.286 10.502 1.00 5.44 H new ATOM 0 HD3 PRO A 82 30.448 -15.641 9.488 1.00 5.44 H new ATOM 1115 N PHE A 83 26.797 -13.102 8.842 1.00 43.41 N ATOM 1116 CA PHE A 83 25.505 -12.450 9.016 1.00 15.31 C ATOM 1117 C PHE A 83 25.681 -10.969 9.339 1.00 3.10 C ATOM 1118 O PHE A 83 24.793 -10.155 9.083 1.00 73.34 O ATOM 1119 CB PHE A 83 24.710 -13.135 10.130 1.00 50.22 C ATOM 1120 CG PHE A 83 23.291 -12.654 10.237 1.00 71.34 C ATOM 1121 CD1 PHE A 83 22.592 -12.261 9.107 1.00 71.03 C ATOM 1122 CD2 PHE A 83 22.656 -12.596 11.467 1.00 72.44 C ATOM 1123 CE1 PHE A 83 21.286 -11.818 9.202 1.00 4.34 C ATOM 1124 CE2 PHE A 83 21.350 -12.154 11.568 1.00 21.44 C ATOM 1125 CZ PHE A 83 20.664 -11.766 10.435 1.00 43.55 C ATOM 0 H PHE A 83 27.073 -13.705 9.617 1.00 43.41 H new ATOM 0 HA PHE A 83 24.954 -12.536 8.079 1.00 15.31 H new ATOM 0 HB2 PHE A 83 24.708 -14.211 9.955 1.00 50.22 H new ATOM 0 HB3 PHE A 83 25.215 -12.967 11.081 1.00 50.22 H new ATOM 0 HD1 PHE A 83 23.073 -12.301 8.141 1.00 71.03 H new ATOM 0 HD2 PHE A 83 23.187 -12.900 12.357 1.00 72.44 H new ATOM 0 HE1 PHE A 83 20.752 -11.513 8.314 1.00 4.34 H new ATOM 0 HE2 PHE A 83 20.867 -12.112 12.533 1.00 21.44 H new ATOM 0 HZ PHE A 83 19.643 -11.422 10.512 1.00 43.55 H new ATOM 1135 N LEU A 84 26.834 -10.626 9.904 1.00 72.33 N ATOM 1136 CA LEU A 84 27.129 -9.243 10.263 1.00 34.50 C ATOM 1137 C LEU A 84 26.764 -8.296 9.125 1.00 43.41 C ATOM 1138 O LEU A 84 26.417 -7.137 9.355 1.00 52.23 O ATOM 1139 CB LEU A 84 28.610 -9.092 10.614 1.00 13.30 C ATOM 1140 CG LEU A 84 28.924 -8.246 11.849 1.00 34.50 C ATOM 1141 CD1 LEU A 84 28.796 -6.765 11.529 1.00 70.34 C ATOM 1142 CD2 LEU A 84 28.006 -8.626 13.002 1.00 11.41 C ATOM 0 H LEU A 84 27.580 -11.287 10.123 1.00 72.33 H new ATOM 0 HA LEU A 84 26.528 -8.983 11.134 1.00 34.50 H new ATOM 0 HB2 LEU A 84 29.031 -10.086 10.763 1.00 13.30 H new ATOM 0 HB3 LEU A 84 29.123 -8.654 9.758 1.00 13.30 H new ATOM 0 HG LEU A 84 29.953 -8.443 12.149 1.00 34.50 H new ATOM 0 HD11 LEU A 84 29.023 -6.179 12.420 1.00 70.34 H new ATOM 0 HD12 LEU A 84 29.495 -6.503 10.734 1.00 70.34 H new ATOM 0 HD13 LEU A 84 27.778 -6.550 11.203 1.00 70.34 H new ATOM 0 HD21 LEU A 84 28.243 -8.014 13.873 1.00 11.41 H new ATOM 0 HD22 LEU A 84 26.969 -8.458 12.712 1.00 11.41 H new ATOM 0 HD23 LEU A 84 28.148 -9.678 13.248 1.00 11.41 H new ATOM 1154 N CYS A 85 26.844 -8.796 7.897 1.00 70.25 N ATOM 1155 CA CYS A 85 26.521 -7.996 6.722 1.00 42.34 C ATOM 1156 C CYS A 85 25.011 -7.908 6.521 1.00 20.21 C ATOM 1157 O CYS A 85 24.463 -6.825 6.316 1.00 25.32 O ATOM 1158 CB CYS A 85 27.178 -8.593 5.476 1.00 44.34 C ATOM 1159 SG CYS A 85 28.926 -9.052 5.705 1.00 63.23 S ATOM 0 H CYS A 85 27.130 -9.753 7.689 1.00 70.25 H new ATOM 0 HA CYS A 85 26.908 -6.990 6.882 1.00 42.34 H new ATOM 0 HB2 CYS A 85 26.618 -9.477 5.171 1.00 44.34 H new ATOM 0 HB3 CYS A 85 27.106 -7.874 4.660 1.00 44.34 H new ATOM 1164 N ALA A 86 24.344 -9.056 6.582 1.00 21.12 N ATOM 1165 CA ALA A 86 22.898 -9.109 6.410 1.00 73.41 C ATOM 1166 C ALA A 86 22.177 -8.617 7.661 1.00 64.44 C ATOM 1167 O ALA A 86 20.961 -8.760 7.785 1.00 11.22 O ATOM 1168 CB ALA A 86 22.459 -10.526 6.068 1.00 12.33 C ATOM 0 H ALA A 86 24.782 -9.962 6.749 1.00 21.12 H new ATOM 0 HA ALA A 86 22.631 -8.448 5.585 1.00 73.41 H new ATOM 0 HB1 ALA A 86 21.377 -10.551 5.942 1.00 12.33 H new ATOM 0 HB2 ALA A 86 22.939 -10.842 5.142 1.00 12.33 H new ATOM 0 HB3 ALA A 86 22.746 -11.201 6.875 1.00 12.33 H new ATOM 1174 N VAL A 87 22.936 -8.038 8.586 1.00 62.23 N ATOM 1175 CA VAL A 87 22.370 -7.525 9.827 1.00 12.51 C ATOM 1176 C VAL A 87 22.361 -6.000 9.838 1.00 73.13 C ATOM 1177 O VAL A 87 21.344 -5.377 10.145 1.00 4.31 O ATOM 1178 CB VAL A 87 23.153 -8.031 11.053 1.00 10.30 C ATOM 1179 CG1 VAL A 87 22.588 -7.432 12.332 1.00 3.12 C ATOM 1180 CG2 VAL A 87 23.128 -9.551 11.110 1.00 3.30 C ATOM 0 H VAL A 87 23.945 -7.913 8.499 1.00 62.23 H new ATOM 0 HA VAL A 87 21.345 -7.892 9.883 1.00 12.51 H new ATOM 0 HB VAL A 87 24.190 -7.711 10.958 1.00 10.30 H new ATOM 0 HG11 VAL A 87 23.154 -7.801 13.187 1.00 3.12 H new ATOM 0 HG12 VAL A 87 22.663 -6.345 12.289 1.00 3.12 H new ATOM 0 HG13 VAL A 87 21.542 -7.720 12.437 1.00 3.12 H new ATOM 0 HG21 VAL A 87 23.686 -9.892 11.982 1.00 3.30 H new ATOM 0 HG22 VAL A 87 22.096 -9.895 11.182 1.00 3.30 H new ATOM 0 HG23 VAL A 87 23.584 -9.957 10.207 1.00 3.30 H new ATOM 1190 N PHE A 88 23.499 -5.405 9.499 1.00 5.32 N ATOM 1191 CA PHE A 88 23.623 -3.952 9.470 1.00 64.01 C ATOM 1192 C PHE A 88 23.776 -3.448 8.038 1.00 43.02 C ATOM 1193 O PHE A 88 23.304 -2.364 7.695 1.00 75.24 O ATOM 1194 CB PHE A 88 24.821 -3.504 10.311 1.00 73.03 C ATOM 1195 CG PHE A 88 24.941 -4.233 11.619 1.00 53.53 C ATOM 1196 CD1 PHE A 88 23.897 -4.225 12.530 1.00 53.24 C ATOM 1197 CD2 PHE A 88 26.098 -4.925 11.938 1.00 50.34 C ATOM 1198 CE1 PHE A 88 24.004 -4.894 13.734 1.00 72.40 C ATOM 1199 CE2 PHE A 88 26.211 -5.596 13.140 1.00 34.51 C ATOM 1200 CZ PHE A 88 25.163 -5.580 14.040 1.00 72.30 C ATOM 0 H PHE A 88 24.349 -5.906 9.240 1.00 5.32 H new ATOM 0 HA PHE A 88 22.712 -3.526 9.891 1.00 64.01 H new ATOM 0 HB2 PHE A 88 25.735 -3.653 9.736 1.00 73.03 H new ATOM 0 HB3 PHE A 88 24.738 -2.435 10.506 1.00 73.03 H new ATOM 0 HD1 PHE A 88 22.989 -3.689 12.296 1.00 53.24 H new ATOM 0 HD2 PHE A 88 26.921 -4.940 11.239 1.00 50.34 H new ATOM 0 HE1 PHE A 88 23.182 -4.881 14.435 1.00 72.40 H new ATOM 0 HE2 PHE A 88 27.118 -6.133 13.376 1.00 34.51 H new ATOM 0 HZ PHE A 88 25.250 -6.103 14.981 1.00 72.30 H new ATOM 1210 N LYS A 89 24.441 -4.242 7.205 1.00 30.13 N ATOM 1211 CA LYS A 89 24.657 -3.879 5.810 1.00 61.33 C ATOM 1212 C LYS A 89 23.914 -4.832 4.879 1.00 63.05 C ATOM 1213 O LYS A 89 24.515 -5.643 4.174 1.00 71.44 O ATOM 1214 CB LYS A 89 26.152 -3.893 5.484 1.00 42.45 C ATOM 1215 CG LYS A 89 26.943 -2.820 6.212 1.00 24.33 C ATOM 1216 CD LYS A 89 27.791 -3.412 7.326 1.00 34.41 C ATOM 1217 CE LYS A 89 28.066 -2.392 8.420 1.00 53.12 C ATOM 1218 NZ LYS A 89 29.524 -2.224 8.668 1.00 64.21 N ATOM 0 H LYS A 89 24.840 -5.142 7.473 1.00 30.13 H new ATOM 0 HA LYS A 89 24.267 -2.872 5.658 1.00 61.33 H new ATOM 0 HB2 LYS A 89 26.562 -4.870 5.739 1.00 42.45 H new ATOM 0 HB3 LYS A 89 26.282 -3.763 4.410 1.00 42.45 H new ATOM 0 HG2 LYS A 89 27.585 -2.296 5.504 1.00 24.33 H new ATOM 0 HG3 LYS A 89 26.258 -2.081 6.628 1.00 24.33 H new ATOM 0 HD2 LYS A 89 27.281 -4.276 7.753 1.00 34.41 H new ATOM 0 HD3 LYS A 89 28.735 -3.770 6.915 1.00 34.41 H new ATOM 0 HE2 LYS A 89 27.633 -1.432 8.139 1.00 53.12 H new ATOM 0 HE3 LYS A 89 27.575 -2.706 9.341 1.00 53.12 H new ATOM 0 HZ1 LYS A 89 29.669 -1.521 9.420 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 29.933 -3.134 8.961 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 29.989 -1.900 7.796 1.00 64.21 H new ATOM 1232 N PRO A 90 22.577 -4.732 4.873 1.00 73.42 N ATOM 1233 CA PRO A 90 21.724 -5.576 4.031 1.00 73.42 C ATOM 1234 C PRO A 90 21.853 -5.237 2.550 1.00 42.21 C ATOM 1235 O PRO A 90 22.325 -4.159 2.188 1.00 12.53 O ATOM 1236 CB PRO A 90 20.311 -5.263 4.530 1.00 41.42 C ATOM 1237 CG PRO A 90 20.410 -3.894 5.110 1.00 33.12 C ATOM 1238 CD PRO A 90 21.794 -3.788 5.687 1.00 1.24 C ATOM 0 HA PRO A 90 21.994 -6.630 4.106 1.00 73.42 H new ATOM 0 HB2 PRO A 90 19.587 -5.297 3.716 1.00 41.42 H new ATOM 0 HB3 PRO A 90 19.985 -5.987 5.277 1.00 41.42 H new ATOM 0 HG2 PRO A 90 20.246 -3.134 4.346 1.00 33.12 H new ATOM 0 HG3 PRO A 90 19.654 -3.741 5.880 1.00 33.12 H new ATOM 0 HD2 PRO A 90 22.184 -2.773 5.611 1.00 1.24 H new ATOM 0 HD3 PRO A 90 21.811 -4.058 6.743 1.00 1.24 H new ATOM 1246 N LYS A 91 21.431 -6.163 1.696 1.00 23.41 N ATOM 1247 CA LYS A 91 21.498 -5.962 0.253 1.00 21.35 C ATOM 1248 C LYS A 91 20.248 -5.252 -0.255 1.00 52.03 C ATOM 1249 O LYS A 91 19.185 -5.860 -0.385 1.00 61.41 O ATOM 1250 CB LYS A 91 21.662 -7.305 -0.462 1.00 75.13 C ATOM 1251 CG LYS A 91 21.712 -7.186 -1.976 1.00 14.54 C ATOM 1252 CD LYS A 91 22.497 -8.327 -2.599 1.00 45.44 C ATOM 1253 CE LYS A 91 22.037 -8.609 -4.021 1.00 51.43 C ATOM 1254 NZ LYS A 91 22.674 -9.834 -4.578 1.00 20.21 N ATOM 0 H LYS A 91 21.038 -7.061 1.978 1.00 23.41 H new ATOM 0 HA LYS A 91 22.363 -5.335 0.037 1.00 21.35 H new ATOM 0 HB2 LYS A 91 22.577 -7.783 -0.113 1.00 75.13 H new ATOM 0 HB3 LYS A 91 20.835 -7.958 -0.184 1.00 75.13 H new ATOM 0 HG2 LYS A 91 20.698 -7.180 -2.375 1.00 14.54 H new ATOM 0 HG3 LYS A 91 22.169 -6.236 -2.252 1.00 14.54 H new ATOM 0 HD2 LYS A 91 23.559 -8.081 -2.601 1.00 45.44 H new ATOM 0 HD3 LYS A 91 22.379 -9.225 -1.992 1.00 45.44 H new ATOM 0 HE2 LYS A 91 20.953 -8.725 -4.036 1.00 51.43 H new ATOM 0 HE3 LYS A 91 22.275 -7.755 -4.656 1.00 51.43 H new ATOM 0 HZ1 LYS A 91 22.334 -9.991 -5.548 1.00 20.21 H new ATOM 0 HZ2 LYS A 91 23.707 -9.714 -4.588 1.00 20.21 H new ATOM 0 HZ3 LYS A 91 22.426 -10.653 -3.987 1.00 20.21 H new ATOM 1268 N CYS A 92 20.382 -3.962 -0.543 1.00 52.33 N ATOM 1269 CA CYS A 92 19.264 -3.168 -1.039 1.00 73.31 C ATOM 1270 C CYS A 92 19.480 -2.775 -2.498 1.00 4.15 C ATOM 1271 O CYS A 92 20.418 -2.047 -2.821 1.00 64.32 O ATOM 1272 CB CYS A 92 19.082 -1.914 -0.183 1.00 1.44 C ATOM 1273 SG CYS A 92 17.757 -0.805 -0.759 1.00 52.14 S ATOM 0 H CYS A 92 21.255 -3.444 -0.441 1.00 52.33 H new ATOM 0 HA CYS A 92 18.362 -3.777 -0.975 1.00 73.31 H new ATOM 0 HB2 CYS A 92 18.869 -2.215 0.843 1.00 1.44 H new ATOM 0 HB3 CYS A 92 20.021 -1.361 -0.164 1.00 1.44 H new ATOM 1278 N GLU A 93 18.606 -3.261 -3.372 1.00 75.52 N ATOM 1279 CA GLU A 93 18.702 -2.961 -4.796 1.00 11.12 C ATOM 1280 C GLU A 93 17.335 -2.600 -5.369 1.00 53.15 C ATOM 1281 O GLU A 93 16.325 -2.629 -4.665 1.00 64.21 O ATOM 1282 CB GLU A 93 19.286 -4.155 -5.553 1.00 71.15 C ATOM 1283 CG GLU A 93 18.273 -5.253 -5.834 1.00 0.44 C ATOM 1284 CD GLU A 93 18.859 -6.395 -6.641 1.00 54.30 C ATOM 1285 OE1 GLU A 93 20.077 -6.641 -6.522 1.00 2.11 O ATOM 1286 OE2 GLU A 93 18.099 -7.042 -7.392 1.00 2.32 O ATOM 0 H GLU A 93 17.823 -3.864 -3.120 1.00 75.52 H new ATOM 0 HA GLU A 93 19.365 -2.104 -4.917 1.00 11.12 H new ATOM 0 HB2 GLU A 93 19.703 -3.807 -6.498 1.00 71.15 H new ATOM 0 HB3 GLU A 93 20.111 -4.572 -4.975 1.00 71.15 H new ATOM 0 HG2 GLU A 93 17.890 -5.640 -4.889 1.00 0.44 H new ATOM 0 HG3 GLU A 93 17.425 -4.830 -6.372 1.00 0.44 H new ATOM 1293 N LYS A 94 17.310 -2.259 -6.653 1.00 51.53 N ATOM 1294 CA LYS A 94 16.068 -1.892 -7.324 1.00 43.02 C ATOM 1295 C LYS A 94 15.587 -3.019 -8.233 1.00 23.15 C ATOM 1296 O LYS A 94 16.146 -3.244 -9.307 1.00 20.14 O ATOM 1297 CB LYS A 94 16.264 -0.613 -8.141 1.00 42.20 C ATOM 1298 CG LYS A 94 15.492 0.578 -7.601 1.00 12.23 C ATOM 1299 CD LYS A 94 15.598 1.778 -8.527 1.00 10.33 C ATOM 1300 CE LYS A 94 17.041 2.230 -8.690 1.00 1.41 C ATOM 1301 NZ LYS A 94 17.136 3.685 -8.992 1.00 54.43 N ATOM 0 H LYS A 94 18.136 -2.229 -7.250 1.00 51.53 H new ATOM 0 HA LYS A 94 15.310 -1.716 -6.560 1.00 43.02 H new ATOM 0 HB2 LYS A 94 17.325 -0.367 -8.165 1.00 42.20 H new ATOM 0 HB3 LYS A 94 15.956 -0.798 -9.170 1.00 42.20 H new ATOM 0 HG2 LYS A 94 14.444 0.306 -7.475 1.00 12.23 H new ATOM 0 HG3 LYS A 94 15.874 0.843 -6.615 1.00 12.23 H new ATOM 0 HD2 LYS A 94 15.183 1.524 -9.502 1.00 10.33 H new ATOM 0 HD3 LYS A 94 15.001 2.599 -8.130 1.00 10.33 H new ATOM 0 HE2 LYS A 94 17.595 2.012 -7.777 1.00 1.41 H new ATOM 0 HE3 LYS A 94 17.511 1.661 -9.492 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 18.135 3.953 -9.096 1.00 54.43 H new ATOM 0 HZ2 LYS A 94 16.629 3.890 -9.877 1.00 54.43 H new ATOM 0 HZ3 LYS A 94 16.710 4.229 -8.215 1.00 54.43 H new ATOM 1315 N ILE A 95 14.548 -3.723 -7.795 1.00 44.44 N ATOM 1316 CA ILE A 95 13.992 -4.824 -8.571 1.00 14.00 C ATOM 1317 C ILE A 95 12.925 -4.329 -9.541 1.00 53.25 C ATOM 1318 O ILE A 95 11.884 -3.820 -9.128 1.00 52.24 O ATOM 1319 CB ILE A 95 13.378 -5.902 -7.658 1.00 4.02 C ATOM 1320 CG1 ILE A 95 14.445 -6.476 -6.723 1.00 33.22 C ATOM 1321 CG2 ILE A 95 12.747 -7.007 -8.492 1.00 45.43 C ATOM 1322 CD1 ILE A 95 13.893 -6.953 -5.398 1.00 32.05 C ATOM 0 H ILE A 95 14.075 -3.550 -6.908 1.00 44.44 H new ATOM 0 HA ILE A 95 14.817 -5.262 -9.134 1.00 14.00 H new ATOM 0 HB ILE A 95 12.598 -5.442 -7.051 1.00 4.02 H new ATOM 0 HG12 ILE A 95 14.943 -7.308 -7.221 1.00 33.22 H new ATOM 0 HG13 ILE A 95 15.203 -5.715 -6.539 1.00 33.22 H new ATOM 0 HG21 ILE A 95 12.318 -7.761 -7.832 1.00 45.43 H new ATOM 0 HG22 ILE A 95 11.962 -6.586 -9.120 1.00 45.43 H new ATOM 0 HG23 ILE A 95 13.508 -7.467 -9.122 1.00 45.43 H new ATOM 0 HD11 ILE A 95 14.705 -7.347 -4.786 1.00 32.05 H new ATOM 0 HD12 ILE A 95 13.420 -6.119 -4.880 1.00 32.05 H new ATOM 0 HD13 ILE A 95 13.156 -7.737 -5.572 1.00 32.05 H new ATOM 1334 N ASN A 96 13.191 -4.484 -10.834 1.00 40.44 N ATOM 1335 CA ASN A 96 12.253 -4.053 -11.865 1.00 30.32 C ATOM 1336 C ASN A 96 12.016 -2.548 -11.791 1.00 3.14 C ATOM 1337 O ASN A 96 11.010 -2.042 -12.285 1.00 50.14 O ATOM 1338 CB ASN A 96 10.924 -4.798 -11.717 1.00 43.53 C ATOM 1339 CG ASN A 96 10.022 -4.614 -12.922 1.00 52.20 C ATOM 1340 OD1 ASN A 96 10.266 -5.182 -13.987 1.00 13.04 O ATOM 1341 ND2 ASN A 96 8.972 -3.817 -12.759 1.00 5.51 N ATOM 0 H ASN A 96 14.048 -4.905 -11.193 1.00 40.44 H new ATOM 0 HA ASN A 96 12.687 -4.286 -12.837 1.00 30.32 H new ATOM 0 HB2 ASN A 96 11.120 -5.860 -11.572 1.00 43.53 H new ATOM 0 HB3 ASN A 96 10.409 -4.444 -10.824 1.00 43.53 H new ATOM 0 HD21 ASN A 96 8.329 -3.655 -13.534 1.00 5.51 H new ATOM 0 HD22 ASN A 96 8.808 -3.367 -11.859 1.00 5.51 H new ATOM 1348 N GLY A 97 12.952 -1.837 -11.169 1.00 3.12 N ATOM 1349 CA GLY A 97 12.828 -0.397 -11.042 1.00 14.35 C ATOM 1350 C GLY A 97 12.173 0.016 -9.738 1.00 22.41 C ATOM 1351 O GLY A 97 11.673 1.133 -9.614 1.00 20.11 O ATOM 0 H GLY A 97 13.794 -2.233 -10.751 1.00 3.12 H new ATOM 0 HA2 GLY A 97 13.817 0.057 -11.108 1.00 14.35 H new ATOM 0 HA3 GLY A 97 12.243 -0.011 -11.877 1.00 14.35 H new ATOM 1355 N GLU A 98 12.175 -0.889 -8.764 1.00 64.51 N ATOM 1356 CA GLU A 98 11.575 -0.614 -7.464 1.00 53.44 C ATOM 1357 C GLU A 98 12.574 -0.865 -6.339 1.00 0.42 C ATOM 1358 O GLU A 98 13.071 -1.979 -6.172 1.00 55.22 O ATOM 1359 CB GLU A 98 10.330 -1.480 -7.259 1.00 1.42 C ATOM 1360 CG GLU A 98 9.292 -1.323 -8.357 1.00 35.22 C ATOM 1361 CD GLU A 98 8.093 -2.231 -8.160 1.00 11.13 C ATOM 1362 OE1 GLU A 98 8.129 -3.071 -7.236 1.00 43.43 O ATOM 1363 OE2 GLU A 98 7.118 -2.101 -8.929 1.00 41.35 O ATOM 0 H GLU A 98 12.585 -1.819 -8.851 1.00 64.51 H new ATOM 0 HA GLU A 98 11.286 0.437 -7.441 1.00 53.44 H new ATOM 0 HB2 GLU A 98 10.631 -2.526 -7.202 1.00 1.42 H new ATOM 0 HB3 GLU A 98 9.875 -1.226 -6.302 1.00 1.42 H new ATOM 0 HG2 GLU A 98 8.957 -0.286 -8.389 1.00 35.22 H new ATOM 0 HG3 GLU A 98 9.753 -1.539 -9.321 1.00 35.22 H new ATOM 1370 N ASP A 99 12.864 0.179 -5.570 1.00 3.01 N ATOM 1371 CA ASP A 99 13.804 0.073 -4.460 1.00 32.14 C ATOM 1372 C ASP A 99 13.318 -0.944 -3.432 1.00 31.41 C ATOM 1373 O ASP A 99 12.455 -0.644 -2.608 1.00 33.53 O ATOM 1374 CB ASP A 99 13.996 1.437 -3.794 1.00 61.43 C ATOM 1375 CG ASP A 99 14.109 2.562 -4.803 1.00 42.34 C ATOM 1376 OD1 ASP A 99 13.060 3.115 -5.195 1.00 3.45 O ATOM 1377 OD2 ASP A 99 15.247 2.890 -5.203 1.00 35.33 O ATOM 0 H ASP A 99 12.462 1.108 -5.695 1.00 3.01 H new ATOM 0 HA ASP A 99 14.760 -0.267 -4.857 1.00 32.14 H new ATOM 0 HB2 ASP A 99 13.157 1.634 -3.127 1.00 61.43 H new ATOM 0 HB3 ASP A 99 14.895 1.414 -3.177 1.00 61.43 H new ATOM 1382 N MET A 100 13.878 -2.148 -3.488 1.00 75.43 N ATOM 1383 CA MET A 100 13.501 -3.210 -2.562 1.00 51.00 C ATOM 1384 C MET A 100 14.675 -3.591 -1.665 1.00 54.23 C ATOM 1385 O MET A 100 15.780 -3.072 -1.820 1.00 24.15 O ATOM 1386 CB MET A 100 13.013 -4.438 -3.332 1.00 34.50 C ATOM 1387 CG MET A 100 11.783 -4.172 -4.185 1.00 42.24 C ATOM 1388 SD MET A 100 10.360 -5.158 -3.681 1.00 65.13 S ATOM 1389 CE MET A 100 10.376 -6.439 -4.933 1.00 52.12 C ATOM 0 H MET A 100 14.594 -2.413 -4.164 1.00 75.43 H new ATOM 0 HA MET A 100 12.691 -2.839 -1.933 1.00 51.00 H new ATOM 0 HB2 MET A 100 13.818 -4.799 -3.972 1.00 34.50 H new ATOM 0 HB3 MET A 100 12.788 -5.235 -2.623 1.00 34.50 H new ATOM 0 HG2 MET A 100 11.526 -3.114 -4.125 1.00 42.24 H new ATOM 0 HG3 MET A 100 12.016 -4.385 -5.228 1.00 42.24 H new ATOM 0 HE1 MET A 100 9.385 -6.524 -5.379 1.00 52.12 H new ATOM 0 HE2 MET A 100 11.101 -6.184 -5.705 1.00 52.12 H new ATOM 0 HE3 MET A 100 10.651 -7.390 -4.477 1.00 52.12 H new ATOM 1399 N VAL A 101 14.427 -4.500 -0.728 1.00 13.13 N ATOM 1400 CA VAL A 101 15.463 -4.951 0.193 1.00 3.42 C ATOM 1401 C VAL A 101 15.549 -6.472 0.222 1.00 31.42 C ATOM 1402 O VAL A 101 14.603 -7.165 -0.153 1.00 34.12 O ATOM 1403 CB VAL A 101 15.208 -4.434 1.622 1.00 61.42 C ATOM 1404 CG1 VAL A 101 15.141 -2.915 1.637 1.00 42.13 C ATOM 1405 CG2 VAL A 101 13.931 -5.038 2.186 1.00 73.14 C ATOM 0 H VAL A 101 13.517 -4.939 -0.587 1.00 13.13 H new ATOM 0 HA VAL A 101 16.407 -4.544 -0.169 1.00 3.42 H new ATOM 0 HB VAL A 101 16.040 -4.743 2.255 1.00 61.42 H new ATOM 0 HG11 VAL A 101 14.960 -2.569 2.655 1.00 42.13 H new ATOM 0 HG12 VAL A 101 16.085 -2.506 1.277 1.00 42.13 H new ATOM 0 HG13 VAL A 101 14.330 -2.580 0.990 1.00 42.13 H new ATOM 0 HG21 VAL A 101 13.766 -4.662 3.196 1.00 73.14 H new ATOM 0 HG22 VAL A 101 13.087 -4.761 1.554 1.00 73.14 H new ATOM 0 HG23 VAL A 101 14.023 -6.124 2.213 1.00 73.14 H new ATOM 1415 N TYR A 102 16.689 -6.987 0.670 1.00 13.23 N ATOM 1416 CA TYR A 102 16.899 -8.428 0.747 1.00 41.43 C ATOM 1417 C TYR A 102 17.073 -8.877 2.194 1.00 2.33 C ATOM 1418 O TYR A 102 17.866 -8.304 2.944 1.00 73.24 O ATOM 1419 CB TYR A 102 18.125 -8.829 -0.075 1.00 25.35 C ATOM 1420 CG TYR A 102 17.827 -9.049 -1.540 1.00 60.24 C ATOM 1421 CD1 TYR A 102 17.162 -10.191 -1.971 1.00 4.22 C ATOM 1422 CD2 TYR A 102 18.209 -8.115 -2.495 1.00 0.50 C ATOM 1423 CE1 TYR A 102 16.889 -10.396 -3.309 1.00 75.11 C ATOM 1424 CE2 TYR A 102 17.938 -8.311 -3.835 1.00 50.24 C ATOM 1425 CZ TYR A 102 17.278 -9.453 -4.237 1.00 60.24 C ATOM 1426 OH TYR A 102 17.006 -9.653 -5.571 1.00 72.44 O ATOM 0 H TYR A 102 17.482 -6.428 0.985 1.00 13.23 H new ATOM 0 HA TYR A 102 16.017 -8.921 0.337 1.00 41.43 H new ATOM 0 HB2 TYR A 102 18.885 -8.053 0.020 1.00 25.35 H new ATOM 0 HB3 TYR A 102 18.548 -9.743 0.342 1.00 25.35 H new ATOM 0 HD1 TYR A 102 16.854 -10.931 -1.247 1.00 4.22 H new ATOM 0 HD2 TYR A 102 18.727 -7.220 -2.184 1.00 0.50 H new ATOM 0 HE1 TYR A 102 16.374 -11.290 -3.627 1.00 75.11 H new ATOM 0 HE2 TYR A 102 18.241 -7.574 -4.564 1.00 50.24 H new ATOM 0 HH TYR A 102 17.345 -8.895 -6.091 1.00 72.44 H new ATOM 1436 N LEU A 103 16.327 -9.906 2.581 1.00 3.42 N ATOM 1437 CA LEU A 103 16.398 -10.434 3.939 1.00 21.20 C ATOM 1438 C LEU A 103 17.254 -11.696 3.988 1.00 10.23 C ATOM 1439 O LEU A 103 17.422 -12.401 2.993 1.00 2.40 O ATOM 1440 CB LEU A 103 14.993 -10.736 4.464 1.00 63.44 C ATOM 1441 CG LEU A 103 14.096 -9.524 4.715 1.00 75.32 C ATOM 1442 CD1 LEU A 103 13.362 -9.130 3.442 1.00 20.51 C ATOM 1443 CD2 LEU A 103 13.107 -9.816 5.834 1.00 34.00 C ATOM 0 H LEU A 103 15.666 -10.391 1.974 1.00 3.42 H new ATOM 0 HA LEU A 103 16.861 -9.678 4.573 1.00 21.20 H new ATOM 0 HB2 LEU A 103 14.493 -11.391 3.751 1.00 63.44 H new ATOM 0 HB3 LEU A 103 15.087 -11.293 5.396 1.00 63.44 H new ATOM 0 HG LEU A 103 14.725 -8.688 5.021 1.00 75.32 H new ATOM 0 HD11 LEU A 103 12.728 -8.265 3.640 1.00 20.51 H new ATOM 0 HD12 LEU A 103 14.086 -8.879 2.667 1.00 20.51 H new ATOM 0 HD13 LEU A 103 12.745 -9.963 3.105 1.00 20.51 H new ATOM 0 HD21 LEU A 103 12.476 -8.942 5.999 1.00 34.00 H new ATOM 0 HD22 LEU A 103 12.484 -10.666 5.556 1.00 34.00 H new ATOM 0 HD23 LEU A 103 13.651 -10.049 6.749 1.00 34.00 H new ATOM 1455 N PRO A 104 17.807 -11.990 5.174 1.00 31.14 N ATOM 1456 CA PRO A 104 18.652 -13.169 5.383 1.00 63.31 C ATOM 1457 C PRO A 104 17.859 -14.470 5.320 1.00 52.03 C ATOM 1458 O PRO A 104 16.676 -14.504 5.659 1.00 51.44 O ATOM 1459 CB PRO A 104 19.218 -12.956 6.789 1.00 2.00 C ATOM 1460 CG PRO A 104 18.220 -12.086 7.471 1.00 34.23 C ATOM 1461 CD PRO A 104 17.649 -11.195 6.403 1.00 11.54 C ATOM 0 HA PRO A 104 19.416 -13.264 4.611 1.00 63.31 H new ATOM 0 HB2 PRO A 104 19.342 -13.903 7.314 1.00 2.00 H new ATOM 0 HB3 PRO A 104 20.198 -12.481 6.753 1.00 2.00 H new ATOM 0 HG2 PRO A 104 17.438 -12.683 7.940 1.00 34.23 H new ATOM 0 HG3 PRO A 104 18.689 -11.498 8.260 1.00 34.23 H new ATOM 0 HD2 PRO A 104 16.603 -10.957 6.596 1.00 11.54 H new ATOM 0 HD3 PRO A 104 18.185 -10.248 6.341 1.00 11.54 H new ATOM 1469 N SER A 105 18.518 -15.539 4.884 1.00 35.10 N ATOM 1470 CA SER A 105 17.872 -16.842 4.773 1.00 21.04 C ATOM 1471 C SER A 105 18.100 -17.670 6.034 1.00 20.04 C ATOM 1472 O SER A 105 18.878 -17.288 6.909 1.00 63.41 O ATOM 1473 CB SER A 105 18.402 -17.595 3.552 1.00 24.51 C ATOM 1474 OG SER A 105 18.167 -16.865 2.361 1.00 64.23 O ATOM 0 H SER A 105 19.498 -15.529 4.602 1.00 35.10 H new ATOM 0 HA SER A 105 16.801 -16.680 4.654 1.00 21.04 H new ATOM 0 HB2 SER A 105 19.471 -17.774 3.667 1.00 24.51 H new ATOM 0 HB3 SER A 105 17.920 -18.571 3.485 1.00 24.51 H new ATOM 0 HG SER A 105 18.517 -17.367 1.595 1.00 64.23 H new ATOM 1480 N TYR A 106 17.416 -18.805 6.121 1.00 73.23 N ATOM 1481 CA TYR A 106 17.541 -19.687 7.275 1.00 35.11 C ATOM 1482 C TYR A 106 19.002 -20.035 7.539 1.00 3.03 C ATOM 1483 O TYR A 106 19.407 -20.230 8.685 1.00 63.33 O ATOM 1484 CB TYR A 106 16.732 -20.967 7.055 1.00 12.35 C ATOM 1485 CG TYR A 106 17.391 -21.945 6.110 1.00 25.33 C ATOM 1486 CD1 TYR A 106 17.426 -21.704 4.742 1.00 31.13 C ATOM 1487 CD2 TYR A 106 17.979 -23.111 6.585 1.00 64.32 C ATOM 1488 CE1 TYR A 106 18.027 -22.596 3.875 1.00 51.43 C ATOM 1489 CE2 TYR A 106 18.584 -24.008 5.725 1.00 51.52 C ATOM 1490 CZ TYR A 106 18.605 -23.745 4.371 1.00 71.52 C ATOM 1491 OH TYR A 106 19.205 -24.637 3.511 1.00 52.53 O ATOM 0 H TYR A 106 16.769 -19.136 5.406 1.00 73.23 H new ATOM 0 HA TYR A 106 17.148 -19.162 8.146 1.00 35.11 H new ATOM 0 HB2 TYR A 106 16.572 -21.455 8.016 1.00 12.35 H new ATOM 0 HB3 TYR A 106 15.749 -20.703 6.664 1.00 12.35 H new ATOM 0 HD1 TYR A 106 16.976 -20.804 4.350 1.00 31.13 H new ATOM 0 HD2 TYR A 106 17.963 -23.320 7.644 1.00 64.32 H new ATOM 0 HE1 TYR A 106 18.044 -22.394 2.814 1.00 51.43 H new ATOM 0 HE2 TYR A 106 19.037 -24.909 6.111 1.00 51.52 H new ATOM 0 HH TYR A 106 19.564 -25.393 4.021 1.00 52.53 H new ATOM 1501 N GLU A 107 19.789 -20.110 6.470 1.00 14.30 N ATOM 1502 CA GLU A 107 21.206 -20.434 6.586 1.00 74.11 C ATOM 1503 C GLU A 107 21.952 -19.346 7.352 1.00 41.54 C ATOM 1504 O GLU A 107 22.597 -19.616 8.365 1.00 53.55 O ATOM 1505 CB GLU A 107 21.826 -20.614 5.199 1.00 55.45 C ATOM 1506 CG GLU A 107 22.895 -21.691 5.145 1.00 62.43 C ATOM 1507 CD GLU A 107 24.225 -21.169 4.637 1.00 51.34 C ATOM 1508 OE1 GLU A 107 24.742 -20.194 5.221 1.00 63.01 O ATOM 1509 OE2 GLU A 107 24.748 -21.735 3.654 1.00 20.42 O ATOM 0 H GLU A 107 19.469 -19.951 5.515 1.00 14.30 H new ATOM 0 HA GLU A 107 21.295 -21.369 7.139 1.00 74.11 H new ATOM 0 HB2 GLU A 107 21.038 -20.860 4.487 1.00 55.45 H new ATOM 0 HB3 GLU A 107 22.260 -19.667 4.879 1.00 55.45 H new ATOM 0 HG2 GLU A 107 23.031 -22.113 6.141 1.00 62.43 H new ATOM 0 HG3 GLU A 107 22.557 -22.501 4.499 1.00 62.43 H new ATOM 1516 N MET A 108 21.860 -18.115 6.859 1.00 51.40 N ATOM 1517 CA MET A 108 22.526 -16.985 7.497 1.00 52.22 C ATOM 1518 C MET A 108 22.156 -16.899 8.974 1.00 23.53 C ATOM 1519 O MET A 108 23.014 -16.669 9.827 1.00 64.20 O ATOM 1520 CB MET A 108 22.153 -15.680 6.790 1.00 63.32 C ATOM 1521 CG MET A 108 22.909 -15.456 5.490 1.00 21.31 C ATOM 1522 SD MET A 108 24.604 -14.902 5.759 1.00 53.23 S ATOM 1523 CE MET A 108 24.469 -13.173 5.310 1.00 4.01 C ATOM 0 H MET A 108 21.331 -17.875 6.020 1.00 51.40 H new ATOM 0 HA MET A 108 23.602 -17.138 7.418 1.00 52.22 H new ATOM 0 HB2 MET A 108 21.083 -15.681 6.583 1.00 63.32 H new ATOM 0 HB3 MET A 108 22.346 -14.844 7.462 1.00 63.32 H new ATOM 0 HG2 MET A 108 22.920 -16.383 4.917 1.00 21.31 H new ATOM 0 HG3 MET A 108 22.380 -14.716 4.889 1.00 21.31 H new ATOM 0 HE1 MET A 108 25.444 -12.802 4.994 1.00 4.01 H new ATOM 0 HE2 MET A 108 23.756 -13.064 4.492 1.00 4.01 H new ATOM 0 HE3 MET A 108 24.124 -12.599 6.170 1.00 4.01 H new ATOM 1533 N CYS A 109 20.875 -17.086 9.271 1.00 55.02 N ATOM 1534 CA CYS A 109 20.391 -17.029 10.645 1.00 71.41 C ATOM 1535 C CYS A 109 20.768 -18.296 11.407 1.00 21.50 C ATOM 1536 O CYS A 109 20.838 -18.296 12.636 1.00 21.31 O ATOM 1537 CB CYS A 109 18.873 -16.841 10.666 1.00 74.40 C ATOM 1538 SG CYS A 109 18.245 -16.029 12.171 1.00 51.44 S ATOM 0 H CYS A 109 20.152 -17.279 8.578 1.00 55.02 H new ATOM 0 HA CYS A 109 20.863 -16.177 11.135 1.00 71.41 H new ATOM 0 HB2 CYS A 109 18.579 -16.251 9.798 1.00 74.40 H new ATOM 0 HB3 CYS A 109 18.395 -17.816 10.566 1.00 74.40 H new ATOM 1543 N ARG A 110 21.010 -19.374 10.668 1.00 24.54 N ATOM 1544 CA ARG A 110 21.380 -20.648 11.274 1.00 74.31 C ATOM 1545 C ARG A 110 22.807 -20.601 11.813 1.00 55.15 C ATOM 1546 O ARG A 110 23.119 -21.226 12.827 1.00 54.14 O ATOM 1547 CB ARG A 110 21.246 -21.780 10.254 1.00 74.14 C ATOM 1548 CG ARG A 110 21.807 -23.107 10.738 1.00 11.24 C ATOM 1549 CD ARG A 110 20.831 -24.247 10.494 1.00 30.21 C ATOM 1550 NE ARG A 110 19.565 -24.043 11.193 1.00 72.22 N ATOM 1551 CZ ARG A 110 18.616 -24.968 11.279 1.00 75.43 C ATOM 1552 NH1 ARG A 110 18.789 -26.155 10.713 1.00 35.01 N ATOM 1553 NH2 ARG A 110 17.490 -24.708 11.932 1.00 44.40 N ATOM 0 H ARG A 110 20.957 -19.391 9.650 1.00 24.54 H new ATOM 0 HA ARG A 110 20.702 -20.836 12.107 1.00 74.31 H new ATOM 0 HB2 ARG A 110 20.193 -21.910 10.005 1.00 74.14 H new ATOM 0 HB3 ARG A 110 21.758 -21.492 9.336 1.00 74.14 H new ATOM 0 HG2 ARG A 110 22.746 -23.315 10.225 1.00 11.24 H new ATOM 0 HG3 ARG A 110 22.033 -23.041 11.802 1.00 11.24 H new ATOM 0 HD2 ARG A 110 20.643 -24.341 9.424 1.00 30.21 H new ATOM 0 HD3 ARG A 110 21.279 -25.185 10.822 1.00 30.21 H new ATOM 0 HE ARG A 110 19.401 -23.141 11.640 1.00 72.22 H new ATOM 0 HH11 ARG A 110 19.653 -26.359 10.210 1.00 35.01 H new ATOM 0 HH12 ARG A 110 18.058 -26.864 10.781 1.00 35.01 H new ATOM 0 HH21 ARG A 110 17.353 -23.797 12.369 1.00 44.40 H new ATOM 0 HH22 ARG A 110 16.762 -25.420 11.997 1.00 44.40 H new ATOM 1567 N ILE A 111 23.668 -19.857 11.127 1.00 13.30 N ATOM 1568 CA ILE A 111 25.061 -19.728 11.537 1.00 55.20 C ATOM 1569 C ILE A 111 25.167 -19.366 13.015 1.00 64.15 C ATOM 1570 O ILE A 111 26.106 -19.774 13.699 1.00 20.44 O ATOM 1571 CB ILE A 111 25.796 -18.661 10.704 1.00 20.24 C ATOM 1572 CG1 ILE A 111 25.585 -18.914 9.210 1.00 22.32 C ATOM 1573 CG2 ILE A 111 27.279 -18.656 11.042 1.00 5.21 C ATOM 1574 CD1 ILE A 111 25.876 -20.339 8.792 1.00 51.43 C ATOM 0 H ILE A 111 23.426 -19.335 10.285 1.00 13.30 H new ATOM 0 HA ILE A 111 25.532 -20.697 11.368 1.00 55.20 H new ATOM 0 HB ILE A 111 25.384 -17.682 10.949 1.00 20.24 H new ATOM 0 HG12 ILE A 111 24.555 -18.671 8.950 1.00 22.32 H new ATOM 0 HG13 ILE A 111 26.225 -18.239 8.641 1.00 22.32 H new ATOM 0 HG21 ILE A 111 27.786 -17.897 10.446 1.00 5.21 H new ATOM 0 HG22 ILE A 111 27.410 -18.433 12.101 1.00 5.21 H new ATOM 0 HG23 ILE A 111 27.706 -19.635 10.822 1.00 5.21 H new ATOM 0 HD11 ILE A 111 25.705 -20.446 7.721 1.00 51.43 H new ATOM 0 HD12 ILE A 111 26.914 -20.580 9.020 1.00 51.43 H new ATOM 0 HD13 ILE A 111 25.218 -21.019 9.334 1.00 51.43 H new ATOM 1586 N THR A 112 24.198 -18.598 13.502 1.00 51.01 N ATOM 1587 CA THR A 112 24.182 -18.181 14.898 1.00 31.44 C ATOM 1588 C THR A 112 23.384 -19.158 15.754 1.00 34.14 C ATOM 1589 O THR A 112 23.589 -19.248 16.964 1.00 34.14 O ATOM 1590 CB THR A 112 23.584 -16.771 15.057 1.00 44.50 C ATOM 1591 OG1 THR A 112 22.182 -16.797 14.770 1.00 72.32 O ATOM 1592 CG2 THR A 112 24.278 -15.782 14.132 1.00 72.14 C ATOM 0 H THR A 112 23.413 -18.252 12.950 1.00 51.01 H new ATOM 0 HA THR A 112 25.218 -18.168 15.235 1.00 31.44 H new ATOM 0 HB THR A 112 23.737 -16.450 16.087 1.00 44.50 H new ATOM 0 HG1 THR A 112 22.013 -17.406 14.021 1.00 72.32 H new ATOM 0 HG21 THR A 112 23.839 -14.793 14.262 1.00 72.14 H new ATOM 0 HG22 THR A 112 25.340 -15.742 14.373 1.00 72.14 H new ATOM 0 HG23 THR A 112 24.153 -16.102 13.098 1.00 72.14 H new ATOM 1600 N MET A 113 22.474 -19.888 15.118 1.00 35.21 N ATOM 1601 CA MET A 113 21.646 -20.860 15.823 1.00 74.45 C ATOM 1602 C MET A 113 22.487 -22.030 16.323 1.00 62.01 C ATOM 1603 O MET A 113 22.215 -22.593 17.382 1.00 33.24 O ATOM 1604 CB MET A 113 20.532 -21.373 14.907 1.00 44.12 C ATOM 1605 CG MET A 113 19.366 -20.408 14.770 1.00 51.15 C ATOM 1606 SD MET A 113 17.947 -21.147 13.938 1.00 62.04 S ATOM 1607 CE MET A 113 18.138 -20.481 12.286 1.00 44.10 C ATOM 0 H MET A 113 22.291 -19.825 14.116 1.00 35.21 H new ATOM 0 HA MET A 113 21.199 -20.362 16.684 1.00 74.45 H new ATOM 0 HB2 MET A 113 20.947 -21.571 13.919 1.00 44.12 H new ATOM 0 HB3 MET A 113 20.163 -22.323 15.294 1.00 44.12 H new ATOM 0 HG2 MET A 113 19.064 -20.066 15.760 1.00 51.15 H new ATOM 0 HG3 MET A 113 19.691 -19.528 14.214 1.00 51.15 H new ATOM 0 HE1 MET A 113 17.157 -20.359 11.827 1.00 44.10 H new ATOM 0 HE2 MET A 113 18.637 -19.513 12.339 1.00 44.10 H new ATOM 0 HE3 MET A 113 18.737 -21.165 11.685 1.00 44.10 H new ATOM 1617 N GLU A 114 23.510 -22.390 15.553 1.00 11.43 N ATOM 1618 CA GLU A 114 24.390 -23.493 15.920 1.00 74.34 C ATOM 1619 C GLU A 114 24.931 -23.311 17.335 1.00 42.14 C ATOM 1620 O GLU A 114 24.664 -24.105 18.236 1.00 35.41 O ATOM 1621 CB GLU A 114 25.550 -23.601 14.928 1.00 54.13 C ATOM 1622 CG GLU A 114 25.416 -24.764 13.959 1.00 51.44 C ATOM 1623 CD GLU A 114 26.060 -24.481 12.615 1.00 4.45 C ATOM 1624 OE1 GLU A 114 26.939 -23.595 12.553 1.00 73.41 O ATOM 1625 OE2 GLU A 114 25.686 -25.145 11.627 1.00 72.43 O ATOM 0 H GLU A 114 23.749 -21.934 14.672 1.00 11.43 H new ATOM 0 HA GLU A 114 23.808 -24.414 15.889 1.00 74.34 H new ATOM 0 HB2 GLU A 114 25.620 -22.673 14.361 1.00 54.13 H new ATOM 0 HB3 GLU A 114 26.483 -23.707 15.482 1.00 54.13 H new ATOM 0 HG2 GLU A 114 25.873 -25.651 14.397 1.00 51.44 H new ATOM 0 HG3 GLU A 114 24.360 -24.989 13.811 1.00 51.44 H new ATOM 1632 N PRO A 115 25.712 -22.239 17.535 1.00 64.10 N ATOM 1633 CA PRO A 115 26.308 -21.926 18.837 1.00 24.42 C ATOM 1634 C PRO A 115 25.268 -21.481 19.859 1.00 31.21 C ATOM 1635 O PRO A 115 24.065 -21.626 19.639 1.00 20.32 O ATOM 1636 CB PRO A 115 27.271 -20.780 18.520 1.00 5.53 C ATOM 1637 CG PRO A 115 26.710 -20.141 17.297 1.00 43.21 C ATOM 1638 CD PRO A 115 26.073 -21.250 16.506 1.00 44.32 C ATOM 0 HA PRO A 115 26.791 -22.795 19.284 1.00 24.42 H new ATOM 0 HB2 PRO A 115 27.328 -20.071 19.346 1.00 5.53 H new ATOM 0 HB3 PRO A 115 28.282 -21.149 18.346 1.00 5.53 H new ATOM 0 HG2 PRO A 115 25.978 -19.377 17.557 1.00 43.21 H new ATOM 0 HG3 PRO A 115 27.493 -19.649 16.719 1.00 43.21 H new ATOM 0 HD2 PRO A 115 25.197 -20.901 15.959 1.00 44.32 H new ATOM 0 HD3 PRO A 115 26.762 -21.667 15.772 1.00 44.32 H new ATOM 1646 N CYS A 116 25.738 -20.938 20.977 1.00 30.21 N ATOM 1647 CA CYS A 116 24.849 -20.471 22.034 1.00 74.42 C ATOM 1648 C CYS A 116 23.650 -21.403 22.187 1.00 72.11 C ATOM 1649 O CYS A 116 22.585 -21.160 21.619 1.00 62.14 O ATOM 1650 CB CYS A 116 24.369 -19.050 21.734 1.00 14.12 C ATOM 1651 SG CYS A 116 25.682 -17.790 21.809 1.00 24.21 S ATOM 0 H CYS A 116 26.731 -20.810 21.174 1.00 30.21 H new ATOM 0 HA CYS A 116 25.407 -20.469 22.970 1.00 74.42 H new ATOM 0 HB2 CYS A 116 23.919 -19.032 20.741 1.00 14.12 H new ATOM 0 HB3 CYS A 116 23.585 -18.785 22.444 1.00 14.12 H new ATOM 1656 N ARG A 117 23.831 -22.470 22.959 1.00 43.33 N ATOM 1657 CA ARG A 117 22.766 -23.438 23.186 1.00 32.41 C ATOM 1658 C ARG A 117 21.485 -22.742 23.638 1.00 63.13 C ATOM 1659 O ARG A 117 20.403 -23.012 23.116 1.00 62.31 O ATOM 1660 CB ARG A 117 23.197 -24.466 24.234 1.00 31.20 C ATOM 1661 CG ARG A 117 22.115 -25.477 24.578 1.00 54.54 C ATOM 1662 CD ARG A 117 22.410 -26.185 25.891 1.00 40.55 C ATOM 1663 NE ARG A 117 21.195 -26.438 26.661 1.00 65.42 N ATOM 1664 CZ ARG A 117 21.110 -27.356 27.617 1.00 23.24 C ATOM 1665 NH1 ARG A 117 22.163 -28.103 27.920 1.00 43.11 N ATOM 1666 NH2 ARG A 117 19.970 -27.528 28.274 1.00 61.00 N ATOM 0 H ARG A 117 24.706 -22.685 23.438 1.00 43.33 H new ATOM 0 HA ARG A 117 22.568 -23.950 22.244 1.00 32.41 H new ATOM 0 HB2 ARG A 117 24.076 -24.997 23.869 1.00 31.20 H new ATOM 0 HB3 ARG A 117 23.495 -23.943 25.142 1.00 31.20 H new ATOM 0 HG2 ARG A 117 21.152 -24.972 24.645 1.00 54.54 H new ATOM 0 HG3 ARG A 117 22.035 -26.212 23.777 1.00 54.54 H new ATOM 0 HD2 ARG A 117 22.914 -27.130 25.688 1.00 40.55 H new ATOM 0 HD3 ARG A 117 23.095 -25.579 26.484 1.00 40.55 H new ATOM 0 HE ARG A 117 20.367 -25.880 26.453 1.00 65.42 H new ATOM 0 HH11 ARG A 117 23.042 -27.973 27.418 1.00 43.11 H new ATOM 0 HH12 ARG A 117 22.094 -28.807 28.655 1.00 43.11 H new ATOM 0 HH21 ARG A 117 19.158 -26.955 28.045 1.00 61.00 H new ATOM 0 HH22 ARG A 117 19.906 -28.233 29.008 1.00 61.00 H new ATOM 1680 N ILE A 118 21.617 -21.846 24.610 1.00 34.21 N ATOM 1681 CA ILE A 118 20.471 -21.111 25.131 1.00 34.50 C ATOM 1682 C ILE A 118 19.744 -20.365 24.018 1.00 40.25 C ATOM 1683 O ILE A 118 18.570 -20.016 24.152 1.00 4.31 O ATOM 1684 CB ILE A 118 20.894 -20.105 26.217 1.00 34.15 C ATOM 1685 CG1 ILE A 118 21.619 -20.825 27.356 1.00 33.41 C ATOM 1686 CG2 ILE A 118 19.680 -19.355 26.746 1.00 41.12 C ATOM 1687 CD1 ILE A 118 20.828 -21.971 27.947 1.00 34.21 C ATOM 0 H ILE A 118 22.506 -21.611 25.053 1.00 34.21 H new ATOM 0 HA ILE A 118 19.798 -21.847 25.571 1.00 34.50 H new ATOM 0 HB ILE A 118 21.579 -19.382 25.774 1.00 34.15 H new ATOM 0 HG12 ILE A 118 22.572 -21.204 26.987 1.00 33.41 H new ATOM 0 HG13 ILE A 118 21.845 -20.106 28.144 1.00 33.41 H new ATOM 0 HG21 ILE A 118 19.995 -18.648 27.513 1.00 41.12 H new ATOM 0 HG22 ILE A 118 19.201 -18.815 25.929 1.00 41.12 H new ATOM 0 HG23 ILE A 118 18.973 -20.064 27.175 1.00 41.12 H new ATOM 0 HD11 ILE A 118 21.403 -22.435 28.748 1.00 34.21 H new ATOM 0 HD12 ILE A 118 19.886 -21.595 28.347 1.00 34.21 H new ATOM 0 HD13 ILE A 118 20.624 -22.710 27.172 1.00 34.21 H new ATOM 1699 N LEU A 119 20.448 -20.124 22.917 1.00 20.20 N ATOM 1700 CA LEU A 119 19.870 -19.420 21.778 1.00 72.35 C ATOM 1701 C LEU A 119 19.306 -20.405 20.758 1.00 20.02 C ATOM 1702 O LEU A 119 19.341 -20.155 19.553 1.00 23.01 O ATOM 1703 CB LEU A 119 20.923 -18.530 21.115 1.00 32.02 C ATOM 1704 CG LEU A 119 21.096 -17.134 21.716 1.00 74.52 C ATOM 1705 CD1 LEU A 119 19.899 -16.257 21.381 1.00 64.23 C ATOM 1706 CD2 LEU A 119 21.289 -17.223 23.223 1.00 44.54 C ATOM 0 H LEU A 119 21.420 -20.406 22.789 1.00 20.20 H new ATOM 0 HA LEU A 119 19.054 -18.797 22.144 1.00 72.35 H new ATOM 0 HB2 LEU A 119 21.883 -19.044 21.158 1.00 32.02 H new ATOM 0 HB3 LEU A 119 20.666 -18.421 20.061 1.00 32.02 H new ATOM 0 HG LEU A 119 21.986 -16.680 21.282 1.00 74.52 H new ATOM 0 HD11 LEU A 119 20.039 -15.268 21.817 1.00 64.23 H new ATOM 0 HD12 LEU A 119 19.805 -16.167 20.299 1.00 64.23 H new ATOM 0 HD13 LEU A 119 18.993 -16.707 21.787 1.00 64.23 H new ATOM 0 HD21 LEU A 119 21.411 -16.221 23.634 1.00 44.54 H new ATOM 0 HD22 LEU A 119 20.417 -17.697 23.674 1.00 44.54 H new ATOM 0 HD23 LEU A 119 22.178 -17.815 23.442 1.00 44.54 H new ATOM 1718 N TYR A 120 18.785 -21.524 21.250 1.00 52.53 N ATOM 1719 CA TYR A 120 18.213 -22.546 20.382 1.00 62.32 C ATOM 1720 C TYR A 120 17.316 -21.919 19.319 1.00 64.54 C ATOM 1721 O TYR A 120 17.277 -22.375 18.177 1.00 61.24 O ATOM 1722 CB TYR A 120 17.415 -23.557 21.207 1.00 60.22 C ATOM 1723 CG TYR A 120 18.250 -24.701 21.736 1.00 4.12 C ATOM 1724 CD1 TYR A 120 18.989 -25.503 20.876 1.00 64.54 C ATOM 1725 CD2 TYR A 120 18.300 -24.980 23.096 1.00 11.23 C ATOM 1726 CE1 TYR A 120 19.754 -26.550 21.355 1.00 74.05 C ATOM 1727 CE2 TYR A 120 19.062 -26.023 23.584 1.00 24.22 C ATOM 1728 CZ TYR A 120 19.787 -26.806 22.710 1.00 42.55 C ATOM 1729 OH TYR A 120 20.547 -27.847 23.192 1.00 51.25 O ATOM 0 H TYR A 120 18.747 -21.746 22.245 1.00 52.53 H new ATOM 0 HA TYR A 120 19.033 -23.061 19.881 1.00 62.32 H new ATOM 0 HB2 TYR A 120 16.948 -23.041 22.046 1.00 60.22 H new ATOM 0 HB3 TYR A 120 16.610 -23.960 20.593 1.00 60.22 H new ATOM 0 HD1 TYR A 120 18.966 -25.305 19.815 1.00 64.54 H new ATOM 0 HD2 TYR A 120 17.733 -24.370 23.784 1.00 11.23 H new ATOM 0 HE1 TYR A 120 20.323 -27.164 20.672 1.00 74.05 H new ATOM 0 HE2 TYR A 120 19.090 -26.225 24.645 1.00 24.22 H new ATOM 0 HH TYR A 120 20.461 -27.890 24.167 1.00 51.25 H new ATOM 1739 N ASN A 121 16.598 -20.870 19.704 1.00 74.01 N ATOM 1740 CA ASN A 121 15.701 -20.179 18.785 1.00 75.02 C ATOM 1741 C ASN A 121 15.011 -19.006 19.476 1.00 64.41 C ATOM 1742 O ASN A 121 14.937 -17.905 18.930 1.00 64.03 O ATOM 1743 CB ASN A 121 14.653 -21.149 18.236 1.00 74.41 C ATOM 1744 CG ASN A 121 14.259 -22.208 19.248 1.00 55.12 C ATOM 1745 OD1 ASN A 121 14.755 -23.334 19.210 1.00 12.11 O ATOM 1746 ND2 ASN A 121 13.361 -21.850 20.159 1.00 4.01 N ATOM 0 H ASN A 121 16.619 -20.479 20.646 1.00 74.01 H new ATOM 0 HA ASN A 121 16.297 -19.792 17.959 1.00 75.02 H new ATOM 0 HB2 ASN A 121 13.767 -20.590 17.935 1.00 74.41 H new ATOM 0 HB3 ASN A 121 15.044 -21.633 17.341 1.00 74.41 H new ATOM 0 HD21 ASN A 121 13.056 -22.520 20.865 1.00 4.01 H new ATOM 0 HD22 ASN A 121 12.977 -20.905 20.152 1.00 4.01 H new ATOM 1753 N THR A 122 14.508 -19.250 20.682 1.00 72.10 N ATOM 1754 CA THR A 122 13.824 -18.216 21.448 1.00 3.31 C ATOM 1755 C THR A 122 14.690 -16.968 21.582 1.00 52.04 C ATOM 1756 O THR A 122 15.866 -17.050 21.936 1.00 65.24 O ATOM 1757 CB THR A 122 13.445 -18.717 22.855 1.00 41.55 C ATOM 1758 OG1 THR A 122 12.692 -17.714 23.545 1.00 55.40 O ATOM 1759 CG2 THR A 122 14.689 -19.066 23.658 1.00 74.51 C ATOM 0 H THR A 122 14.562 -20.155 21.149 1.00 72.10 H new ATOM 0 HA THR A 122 12.914 -17.967 20.901 1.00 3.31 H new ATOM 0 HB THR A 122 12.838 -19.616 22.746 1.00 41.55 H new ATOM 0 HG1 THR A 122 12.453 -18.040 24.438 1.00 55.40 H new ATOM 0 HG21 THR A 122 14.397 -19.417 24.648 1.00 74.51 H new ATOM 0 HG22 THR A 122 15.245 -19.850 23.144 1.00 74.51 H new ATOM 0 HG23 THR A 122 15.318 -18.181 23.758 1.00 74.51 H new ATOM 1767 N THR A 123 14.100 -15.811 21.297 1.00 41.03 N ATOM 1768 CA THR A 123 14.818 -14.545 21.385 1.00 74.45 C ATOM 1769 C THR A 123 15.261 -14.263 22.815 1.00 14.35 C ATOM 1770 O THR A 123 14.482 -13.769 23.631 1.00 53.30 O ATOM 1771 CB THR A 123 13.952 -13.373 20.886 1.00 32.01 C ATOM 1772 OG1 THR A 123 12.567 -13.653 21.119 1.00 10.14 O ATOM 1773 CG2 THR A 123 14.181 -13.123 19.403 1.00 21.12 C ATOM 0 H THR A 123 13.127 -15.725 21.003 1.00 41.03 H new ATOM 0 HA THR A 123 15.697 -14.634 20.747 1.00 74.45 H new ATOM 0 HB THR A 123 14.239 -12.478 21.438 1.00 32.01 H new ATOM 0 HG1 THR A 123 12.155 -13.976 20.291 1.00 10.14 H new ATOM 0 HG21 THR A 123 13.559 -12.291 19.074 1.00 21.12 H new ATOM 0 HG22 THR A 123 15.230 -12.881 19.233 1.00 21.12 H new ATOM 0 HG23 THR A 123 13.919 -14.018 18.838 1.00 21.12 H new ATOM 1781 N PHE A 124 16.516 -14.578 23.115 1.00 63.55 N ATOM 1782 CA PHE A 124 17.063 -14.358 24.448 1.00 21.34 C ATOM 1783 C PHE A 124 18.079 -13.219 24.439 1.00 75.42 C ATOM 1784 O PHE A 124 18.306 -12.567 25.458 1.00 40.13 O ATOM 1785 CB PHE A 124 17.720 -15.638 24.971 1.00 13.30 C ATOM 1786 CG PHE A 124 18.280 -15.501 26.358 1.00 52.41 C ATOM 1787 CD1 PHE A 124 17.441 -15.496 27.461 1.00 51.53 C ATOM 1788 CD2 PHE A 124 19.645 -15.377 26.559 1.00 61.41 C ATOM 1789 CE1 PHE A 124 17.954 -15.369 28.738 1.00 53.32 C ATOM 1790 CE2 PHE A 124 20.164 -15.251 27.834 1.00 52.42 C ATOM 1791 CZ PHE A 124 19.317 -15.247 28.925 1.00 71.33 C ATOM 0 H PHE A 124 17.174 -14.987 22.452 1.00 63.55 H new ATOM 0 HA PHE A 124 16.241 -14.083 25.109 1.00 21.34 H new ATOM 0 HB2 PHE A 124 16.986 -16.443 24.962 1.00 13.30 H new ATOM 0 HB3 PHE A 124 18.521 -15.929 24.292 1.00 13.30 H new ATOM 0 HD1 PHE A 124 16.374 -15.592 27.321 1.00 51.53 H new ATOM 0 HD2 PHE A 124 20.312 -15.379 25.709 1.00 61.41 H new ATOM 0 HE1 PHE A 124 17.289 -15.365 29.589 1.00 53.32 H new ATOM 0 HE2 PHE A 124 21.230 -15.156 27.977 1.00 52.42 H new ATOM 0 HZ PHE A 124 19.720 -15.149 29.922 1.00 71.33 H new ATOM 1801 N PHE A 125 18.687 -12.987 23.280 1.00 13.23 N ATOM 1802 CA PHE A 125 19.679 -11.928 23.137 1.00 24.21 C ATOM 1803 C PHE A 125 19.030 -10.635 22.652 1.00 33.42 C ATOM 1804 O PHE A 125 17.922 -10.631 22.115 1.00 33.05 O ATOM 1805 CB PHE A 125 20.777 -12.358 22.161 1.00 0.25 C ATOM 1806 CG PHE A 125 21.926 -13.063 22.824 1.00 12.22 C ATOM 1807 CD1 PHE A 125 22.521 -12.532 23.957 1.00 12.13 C ATOM 1808 CD2 PHE A 125 22.410 -14.257 22.315 1.00 42.45 C ATOM 1809 CE1 PHE A 125 23.579 -13.178 24.569 1.00 75.45 C ATOM 1810 CE2 PHE A 125 23.467 -14.908 22.922 1.00 44.13 C ATOM 1811 CZ PHE A 125 24.052 -14.368 24.051 1.00 74.41 C ATOM 0 H PHE A 125 18.510 -13.518 22.427 1.00 13.23 H new ATOM 0 HA PHE A 125 20.122 -11.746 24.116 1.00 24.21 H new ATOM 0 HB2 PHE A 125 20.344 -13.015 21.407 1.00 0.25 H new ATOM 0 HB3 PHE A 125 21.153 -11.478 21.639 1.00 0.25 H new ATOM 0 HD1 PHE A 125 22.154 -11.603 24.367 1.00 12.13 H new ATOM 0 HD2 PHE A 125 21.956 -14.684 21.433 1.00 42.45 H new ATOM 0 HE1 PHE A 125 24.035 -12.753 25.451 1.00 75.45 H new ATOM 0 HE2 PHE A 125 23.835 -15.838 22.514 1.00 44.13 H new ATOM 0 HZ PHE A 125 24.878 -14.875 24.528 1.00 74.41 H new ATOM 1821 N PRO A 126 19.735 -9.511 22.846 1.00 53.14 N ATOM 1822 CA PRO A 126 19.247 -8.191 22.436 1.00 42.43 C ATOM 1823 C PRO A 126 19.218 -8.028 20.920 1.00 65.22 C ATOM 1824 O PRO A 126 19.271 -9.010 20.179 1.00 52.14 O ATOM 1825 CB PRO A 126 20.263 -7.229 23.057 1.00 12.34 C ATOM 1826 CG PRO A 126 21.509 -8.033 23.200 1.00 74.24 C ATOM 1827 CD PRO A 126 21.062 -9.442 23.479 1.00 43.31 C ATOM 0 HA PRO A 126 18.221 -8.018 22.760 1.00 42.43 H new ATOM 0 HB2 PRO A 126 20.424 -6.359 22.421 1.00 12.34 H new ATOM 0 HB3 PRO A 126 19.918 -6.858 24.022 1.00 12.34 H new ATOM 0 HG2 PRO A 126 22.110 -7.987 22.292 1.00 74.24 H new ATOM 0 HG3 PRO A 126 22.129 -7.652 24.012 1.00 74.24 H new ATOM 0 HD2 PRO A 126 21.749 -10.173 23.053 1.00 43.31 H new ATOM 0 HD3 PRO A 126 21.008 -9.642 24.549 1.00 43.31 H new ATOM 1835 N LYS A 127 19.135 -6.783 20.464 1.00 5.23 N ATOM 1836 CA LYS A 127 19.102 -6.491 19.036 1.00 14.52 C ATOM 1837 C LYS A 127 20.353 -7.019 18.343 1.00 61.32 C ATOM 1838 O LYS A 127 20.395 -7.131 17.117 1.00 25.55 O ATOM 1839 CB LYS A 127 18.977 -4.983 18.806 1.00 14.21 C ATOM 1840 CG LYS A 127 20.302 -4.244 18.880 1.00 31.31 C ATOM 1841 CD LYS A 127 20.903 -4.315 20.274 1.00 73.21 C ATOM 1842 CE LYS A 127 19.993 -3.667 21.306 1.00 4.25 C ATOM 1843 NZ LYS A 127 20.688 -2.583 22.055 1.00 42.24 N ATOM 0 H LYS A 127 19.089 -5.959 21.064 1.00 5.23 H new ATOM 0 HA LYS A 127 18.233 -6.991 18.609 1.00 14.52 H new ATOM 0 HB2 LYS A 127 18.528 -4.809 17.828 1.00 14.21 H new ATOM 0 HB3 LYS A 127 18.296 -4.566 19.548 1.00 14.21 H new ATOM 0 HG2 LYS A 127 20.999 -4.672 18.160 1.00 31.31 H new ATOM 0 HG3 LYS A 127 20.154 -3.201 18.599 1.00 31.31 H new ATOM 0 HD2 LYS A 127 21.077 -5.357 20.544 1.00 73.21 H new ATOM 0 HD3 LYS A 127 21.873 -3.818 20.279 1.00 73.21 H new ATOM 0 HE2 LYS A 127 19.113 -3.259 20.809 1.00 4.25 H new ATOM 0 HE3 LYS A 127 19.641 -4.424 22.006 1.00 4.25 H new ATOM 0 HZ1 LYS A 127 20.035 -2.166 22.749 1.00 42.24 H new ATOM 0 HZ2 LYS A 127 21.513 -2.977 22.550 1.00 42.24 H new ATOM 0 HZ3 LYS A 127 21.002 -1.848 21.390 1.00 42.24 H new ATOM 1857 N PHE A 128 21.370 -7.344 19.134 1.00 30.22 N ATOM 1858 CA PHE A 128 22.622 -7.862 18.596 1.00 5.01 C ATOM 1859 C PHE A 128 22.360 -8.873 17.484 1.00 52.03 C ATOM 1860 O PHE A 128 23.090 -8.927 16.493 1.00 53.21 O ATOM 1861 CB PHE A 128 23.449 -8.512 19.707 1.00 23.51 C ATOM 1862 CG PHE A 128 24.049 -9.832 19.314 1.00 73.33 C ATOM 1863 CD1 PHE A 128 25.197 -9.884 18.540 1.00 52.32 C ATOM 1864 CD2 PHE A 128 23.464 -11.022 19.718 1.00 53.34 C ATOM 1865 CE1 PHE A 128 25.751 -11.097 18.176 1.00 2.44 C ATOM 1866 CE2 PHE A 128 24.014 -12.237 19.358 1.00 72.43 C ATOM 1867 CZ PHE A 128 25.158 -12.275 18.585 1.00 1.01 C ATOM 0 H PHE A 128 21.351 -7.258 20.150 1.00 30.22 H new ATOM 0 HA PHE A 128 23.182 -7.026 18.178 1.00 5.01 H new ATOM 0 HB2 PHE A 128 24.248 -7.831 19.999 1.00 23.51 H new ATOM 0 HB3 PHE A 128 22.816 -8.656 20.583 1.00 23.51 H new ATOM 0 HD1 PHE A 128 25.665 -8.966 18.217 1.00 52.32 H new ATOM 0 HD2 PHE A 128 22.568 -10.999 20.321 1.00 53.34 H new ATOM 0 HE1 PHE A 128 26.646 -11.123 17.573 1.00 2.44 H new ATOM 0 HE2 PHE A 128 23.550 -13.157 19.681 1.00 72.43 H new ATOM 0 HZ PHE A 128 25.588 -13.224 18.301 1.00 1.01 H new ATOM 1877 N LEU A 129 21.313 -9.673 17.655 1.00 63.11 N ATOM 1878 CA LEU A 129 20.953 -10.684 16.666 1.00 1.35 C ATOM 1879 C LEU A 129 20.168 -10.064 15.515 1.00 44.32 C ATOM 1880 O LEU A 129 20.516 -10.242 14.347 1.00 35.02 O ATOM 1881 CB LEU A 129 20.129 -11.794 17.321 1.00 61.25 C ATOM 1882 CG LEU A 129 20.897 -13.057 17.713 1.00 74.21 C ATOM 1883 CD1 LEU A 129 19.969 -14.059 18.382 1.00 72.53 C ATOM 1884 CD2 LEU A 129 21.564 -13.676 16.493 1.00 34.43 C ATOM 0 H LEU A 129 20.699 -9.641 18.469 1.00 63.11 H new ATOM 0 HA LEU A 129 21.873 -11.110 16.266 1.00 1.35 H new ATOM 0 HB2 LEU A 129 19.656 -11.388 18.215 1.00 61.25 H new ATOM 0 HB3 LEU A 129 19.329 -12.077 16.637 1.00 61.25 H new ATOM 0 HG LEU A 129 21.674 -12.781 18.425 1.00 74.21 H new ATOM 0 HD11 LEU A 129 20.533 -14.951 18.654 1.00 72.53 H new ATOM 0 HD12 LEU A 129 19.539 -13.614 19.279 1.00 72.53 H new ATOM 0 HD13 LEU A 129 19.169 -14.331 17.693 1.00 72.53 H new ATOM 0 HD21 LEU A 129 22.106 -14.574 16.791 1.00 34.43 H new ATOM 0 HD22 LEU A 129 20.804 -13.938 15.757 1.00 34.43 H new ATOM 0 HD23 LEU A 129 22.260 -12.960 16.056 1.00 34.43 H new ATOM 1896 N ARG A 130 19.111 -9.333 15.852 1.00 74.31 N ATOM 1897 CA ARG A 130 18.277 -8.686 14.846 1.00 3.30 C ATOM 1898 C ARG A 130 17.645 -9.718 13.917 1.00 63.01 C ATOM 1899 O ARG A 130 17.182 -9.386 12.825 1.00 1.35 O ATOM 1900 CB ARG A 130 19.105 -7.690 14.032 1.00 41.25 C ATOM 1901 CG ARG A 130 18.525 -6.285 14.016 1.00 41.01 C ATOM 1902 CD ARG A 130 19.043 -5.456 15.181 1.00 54.32 C ATOM 1903 NE ARG A 130 18.511 -4.096 15.164 1.00 55.35 N ATOM 1904 CZ ARG A 130 17.311 -3.770 15.633 1.00 43.23 C ATOM 1905 NH1 ARG A 130 16.524 -4.701 16.154 1.00 40.24 N ATOM 1906 NH2 ARG A 130 16.898 -2.510 15.582 1.00 74.02 N ATOM 0 H ARG A 130 18.812 -9.174 16.814 1.00 74.31 H new ATOM 0 HA ARG A 130 17.479 -8.151 15.361 1.00 3.30 H new ATOM 0 HB2 ARG A 130 20.115 -7.652 14.439 1.00 41.25 H new ATOM 0 HB3 ARG A 130 19.188 -8.051 13.007 1.00 41.25 H new ATOM 0 HG2 ARG A 130 18.781 -5.795 13.077 1.00 41.01 H new ATOM 0 HG3 ARG A 130 17.437 -6.339 14.061 1.00 41.01 H new ATOM 0 HD2 ARG A 130 18.771 -5.940 16.119 1.00 54.32 H new ATOM 0 HD3 ARG A 130 20.132 -5.420 15.144 1.00 54.32 H new ATOM 0 HE ARG A 130 19.092 -3.356 14.771 1.00 55.35 H new ATOM 0 HH11 ARG A 130 16.839 -5.670 16.196 1.00 40.24 H new ATOM 0 HH12 ARG A 130 15.603 -4.448 16.513 1.00 40.24 H new ATOM 0 HH21 ARG A 130 17.502 -1.791 15.183 1.00 74.02 H new ATOM 0 HH22 ARG A 130 15.977 -2.260 15.942 1.00 74.02 H new ATOM 1920 N CYS A 131 17.630 -10.972 14.357 1.00 44.20 N ATOM 1921 CA CYS A 131 17.057 -12.054 13.566 1.00 51.42 C ATOM 1922 C CYS A 131 15.738 -12.529 14.169 1.00 24.04 C ATOM 1923 O CYS A 131 15.332 -12.072 15.237 1.00 40.44 O ATOM 1924 CB CYS A 131 18.039 -13.223 13.474 1.00 4.21 C ATOM 1925 SG CYS A 131 18.066 -14.046 11.849 1.00 3.31 S ATOM 0 H CYS A 131 18.009 -11.264 15.258 1.00 44.20 H new ATOM 0 HA CYS A 131 16.862 -11.673 12.563 1.00 51.42 H new ATOM 0 HB2 CYS A 131 19.041 -12.860 13.702 1.00 4.21 H new ATOM 0 HB3 CYS A 131 17.784 -13.958 14.237 1.00 4.21 H new ATOM 1930 N ASN A 132 15.076 -13.450 13.478 1.00 74.41 N ATOM 1931 CA ASN A 132 13.803 -13.988 13.945 1.00 31.11 C ATOM 1932 C ASN A 132 13.979 -15.398 14.500 1.00 70.54 C ATOM 1933 O ASN A 132 14.808 -16.167 14.015 1.00 65.15 O ATOM 1934 CB ASN A 132 12.781 -14.000 12.806 1.00 5.40 C ATOM 1935 CG ASN A 132 12.300 -12.607 12.447 1.00 64.13 C ATOM 1936 OD1 ASN A 132 11.976 -11.805 13.323 1.00 70.13 O ATOM 1937 ND2 ASN A 132 12.252 -12.314 11.153 1.00 51.45 N ATOM 0 H ASN A 132 15.399 -13.840 12.593 1.00 74.41 H new ATOM 0 HA ASN A 132 13.437 -13.345 14.745 1.00 31.11 H new ATOM 0 HB2 ASN A 132 13.226 -14.466 11.927 1.00 5.40 H new ATOM 0 HB3 ASN A 132 11.927 -14.613 13.094 1.00 5.40 H new ATOM 0 HD21 ASN A 132 11.937 -11.392 10.850 1.00 51.45 H new ATOM 0 HD22 ASN A 132 12.530 -13.010 10.462 1.00 51.45 H new ATOM 1944 N GLU A 133 13.192 -15.731 15.518 1.00 10.42 N ATOM 1945 CA GLU A 133 13.262 -17.048 16.138 1.00 34.53 C ATOM 1946 C GLU A 133 12.615 -18.104 15.246 1.00 32.34 C ATOM 1947 O GLU A 133 11.524 -18.597 15.538 1.00 65.33 O ATOM 1948 CB GLU A 133 12.575 -17.030 17.506 1.00 61.13 C ATOM 1949 CG GLU A 133 11.125 -16.579 17.453 1.00 41.13 C ATOM 1950 CD GLU A 133 10.657 -15.966 18.758 1.00 32.03 C ATOM 1951 OE1 GLU A 133 10.425 -16.727 19.721 1.00 71.42 O ATOM 1952 OE2 GLU A 133 10.522 -14.726 18.818 1.00 60.14 O ATOM 0 H GLU A 133 12.499 -15.107 15.931 1.00 10.42 H new ATOM 0 HA GLU A 133 14.313 -17.303 16.271 1.00 34.53 H new ATOM 0 HB2 GLU A 133 12.620 -18.029 17.939 1.00 61.13 H new ATOM 0 HB3 GLU A 133 13.128 -16.368 18.172 1.00 61.13 H new ATOM 0 HG2 GLU A 133 11.004 -15.852 16.650 1.00 41.13 H new ATOM 0 HG3 GLU A 133 10.492 -17.432 17.209 1.00 41.13 H new ATOM 1959 N THR A 134 13.295 -18.447 14.157 1.00 72.24 N ATOM 1960 CA THR A 134 12.787 -19.442 13.221 1.00 63.43 C ATOM 1961 C THR A 134 11.388 -19.079 12.737 1.00 20.20 C ATOM 1962 O THR A 134 10.540 -19.952 12.546 1.00 41.14 O ATOM 1963 CB THR A 134 12.750 -20.845 13.857 1.00 43.30 C ATOM 1964 OG1 THR A 134 11.556 -20.999 14.632 1.00 25.45 O ATOM 1965 CG2 THR A 134 13.968 -21.070 14.741 1.00 72.34 C ATOM 0 H THR A 134 14.199 -18.050 13.901 1.00 72.24 H new ATOM 0 HA THR A 134 13.470 -19.454 12.372 1.00 63.43 H new ATOM 0 HB THR A 134 12.761 -21.584 13.056 1.00 43.30 H new ATOM 0 HG1 THR A 134 11.511 -20.291 15.308 1.00 25.45 H new ATOM 0 HG21 THR A 134 13.920 -22.067 15.179 1.00 72.34 H new ATOM 0 HG22 THR A 134 14.874 -20.980 14.142 1.00 72.34 H new ATOM 0 HG23 THR A 134 13.983 -20.325 15.536 1.00 72.34 H new ATOM 1973 N LEU A 135 11.152 -17.787 12.540 1.00 2.34 N ATOM 1974 CA LEU A 135 9.854 -17.308 12.078 1.00 44.44 C ATOM 1975 C LEU A 135 9.460 -17.983 10.768 1.00 34.44 C ATOM 1976 O LEU A 135 8.672 -18.929 10.759 1.00 73.42 O ATOM 1977 CB LEU A 135 9.886 -15.790 11.892 1.00 53.50 C ATOM 1978 CG LEU A 135 9.365 -14.959 13.065 1.00 11.14 C ATOM 1979 CD1 LEU A 135 7.845 -14.915 13.056 1.00 72.44 C ATOM 1980 CD2 LEU A 135 9.876 -15.520 14.384 1.00 33.34 C ATOM 0 H LEU A 135 11.843 -17.052 12.693 1.00 2.34 H new ATOM 0 HA LEU A 135 9.111 -17.560 12.834 1.00 44.44 H new ATOM 0 HB2 LEU A 135 10.914 -15.491 11.689 1.00 53.50 H new ATOM 0 HB3 LEU A 135 9.301 -15.540 11.007 1.00 53.50 H new ATOM 0 HG LEU A 135 9.738 -13.940 12.957 1.00 11.14 H new ATOM 0 HD11 LEU A 135 7.493 -14.319 13.898 1.00 72.44 H new ATOM 0 HD12 LEU A 135 7.499 -14.466 12.125 1.00 72.44 H new ATOM 0 HD13 LEU A 135 7.451 -15.928 13.139 1.00 72.44 H new ATOM 0 HD21 LEU A 135 9.495 -14.916 15.208 1.00 33.34 H new ATOM 0 HD22 LEU A 135 9.533 -16.548 14.499 1.00 33.34 H new ATOM 0 HD23 LEU A 135 10.966 -15.498 14.391 1.00 33.34 H new ATOM 1992 N PHE A 136 10.014 -17.493 9.665 1.00 51.13 N ATOM 1993 CA PHE A 136 9.721 -18.050 8.349 1.00 31.14 C ATOM 1994 C PHE A 136 10.812 -17.682 7.348 1.00 75.34 C ATOM 1995 O PHE A 136 10.573 -16.989 6.359 1.00 42.33 O ATOM 1996 CB PHE A 136 8.364 -17.549 7.850 1.00 2.43 C ATOM 1997 CG PHE A 136 7.203 -18.357 8.356 1.00 44.13 C ATOM 1998 CD1 PHE A 136 6.932 -19.609 7.828 1.00 50.12 C ATOM 1999 CD2 PHE A 136 6.384 -17.865 9.359 1.00 42.00 C ATOM 2000 CE1 PHE A 136 5.864 -20.354 8.291 1.00 61.24 C ATOM 2001 CE2 PHE A 136 5.315 -18.606 9.826 1.00 10.01 C ATOM 2002 CZ PHE A 136 5.055 -19.853 9.292 1.00 43.32 C ATOM 0 H PHE A 136 10.669 -16.711 9.655 1.00 51.13 H new ATOM 0 HA PHE A 136 9.688 -19.136 8.440 1.00 31.14 H new ATOM 0 HB2 PHE A 136 8.234 -16.511 8.156 1.00 2.43 H new ATOM 0 HB3 PHE A 136 8.359 -17.563 6.760 1.00 2.43 H new ATOM 0 HD1 PHE A 136 7.562 -20.007 7.046 1.00 50.12 H new ATOM 0 HD2 PHE A 136 6.583 -16.891 9.781 1.00 42.00 H new ATOM 0 HE1 PHE A 136 5.662 -21.328 7.870 1.00 61.24 H new ATOM 0 HE2 PHE A 136 4.684 -18.210 10.608 1.00 10.01 H new ATOM 0 HZ PHE A 136 4.221 -20.435 9.656 1.00 43.32 H new ATOM 2012 N PRO A 137 12.038 -18.157 7.609 1.00 65.34 N ATOM 2013 CA PRO A 137 13.191 -17.892 6.742 1.00 11.24 C ATOM 2014 C PRO A 137 13.089 -18.615 5.404 1.00 71.11 C ATOM 2015 O PRO A 137 13.267 -18.012 4.345 1.00 74.11 O ATOM 2016 CB PRO A 137 14.374 -18.429 7.552 1.00 41.23 C ATOM 2017 CG PRO A 137 13.784 -19.466 8.443 1.00 73.42 C ATOM 2018 CD PRO A 137 12.395 -18.991 8.769 1.00 0.41 C ATOM 0 HA PRO A 137 13.275 -16.836 6.487 1.00 11.24 H new ATOM 0 HB2 PRO A 137 15.138 -18.854 6.902 1.00 41.23 H new ATOM 0 HB3 PRO A 137 14.851 -17.637 8.129 1.00 41.23 H new ATOM 0 HG2 PRO A 137 13.758 -20.437 7.948 1.00 73.42 H new ATOM 0 HG3 PRO A 137 14.378 -19.586 9.349 1.00 73.42 H new ATOM 0 HD2 PRO A 137 11.704 -19.825 8.892 1.00 0.41 H new ATOM 0 HD3 PRO A 137 12.373 -18.419 9.697 1.00 0.41 H new ATOM 2026 N THR A 138 12.801 -19.912 5.458 1.00 42.04 N ATOM 2027 CA THR A 138 12.676 -20.718 4.250 1.00 42.34 C ATOM 2028 C THR A 138 11.644 -20.125 3.298 1.00 52.24 C ATOM 2029 O THR A 138 11.993 -19.539 2.273 1.00 60.15 O ATOM 2030 CB THR A 138 12.279 -22.169 4.581 1.00 50.43 C ATOM 2031 OG1 THR A 138 11.361 -22.187 5.679 1.00 14.42 O ATOM 2032 CG2 THR A 138 13.505 -23.000 4.925 1.00 63.42 C ATOM 0 H THR A 138 12.650 -20.426 6.326 1.00 42.04 H new ATOM 0 HA THR A 138 13.653 -20.718 3.768 1.00 42.34 H new ATOM 0 HB THR A 138 11.802 -22.601 3.702 1.00 50.43 H new ATOM 0 HG1 THR A 138 11.112 -23.113 5.882 1.00 14.42 H new ATOM 0 HG21 THR A 138 13.200 -24.021 5.155 1.00 63.42 H new ATOM 0 HG22 THR A 138 14.189 -23.008 4.076 1.00 63.42 H new ATOM 0 HG23 THR A 138 14.007 -22.567 5.791 1.00 63.42 H new ATOM 2040 N LYS A 139 10.370 -20.280 3.643 1.00 40.52 N ATOM 2041 CA LYS A 139 9.285 -19.758 2.820 1.00 1.21 C ATOM 2042 C LYS A 139 7.973 -19.740 3.598 1.00 51.13 C ATOM 2043 O LYS A 139 6.894 -19.852 3.016 1.00 73.33 O ATOM 2044 CB LYS A 139 9.128 -20.601 1.553 1.00 53.13 C ATOM 2045 CG LYS A 139 8.856 -22.069 1.829 1.00 74.41 C ATOM 2046 CD LYS A 139 8.258 -22.764 0.616 1.00 2.44 C ATOM 2047 CE LYS A 139 8.915 -24.112 0.366 1.00 22.44 C ATOM 2048 NZ LYS A 139 8.700 -25.053 1.501 1.00 51.04 N ATOM 0 H LYS A 139 10.063 -20.763 4.487 1.00 40.52 H new ATOM 0 HA LYS A 139 9.535 -18.735 2.539 1.00 1.21 H new ATOM 0 HB2 LYS A 139 8.312 -20.195 0.955 1.00 53.13 H new ATOM 0 HB3 LYS A 139 10.035 -20.514 0.954 1.00 53.13 H new ATOM 0 HG2 LYS A 139 9.784 -22.565 2.112 1.00 74.41 H new ATOM 0 HG3 LYS A 139 8.174 -22.161 2.675 1.00 74.41 H new ATOM 0 HD2 LYS A 139 7.187 -22.902 0.766 1.00 2.44 H new ATOM 0 HD3 LYS A 139 8.378 -22.131 -0.263 1.00 2.44 H new ATOM 0 HE2 LYS A 139 8.513 -24.548 -0.548 1.00 22.44 H new ATOM 0 HE3 LYS A 139 9.984 -23.971 0.208 1.00 22.44 H new ATOM 0 HZ1 LYS A 139 9.089 -25.986 1.257 1.00 51.04 H new ATOM 0 HZ2 LYS A 139 9.179 -24.689 2.349 1.00 51.04 H new ATOM 0 HZ3 LYS A 139 7.681 -25.142 1.690 1.00 51.04 H new TER 2062 LYS A 139