USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=69 USER MOD reduce.3.24.130724 removed 1727 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: B 91 SER OG : rot 180:sc= 0.451 USER MOD Set 1.2: B 109 THR OG1 : rot 104:sc= 0.478 USER MOD Set 2.1: B 16 HIS : no HE2:sc= 1.75 K(o=4.9,f=-14!) USER MOD Set 2.2: B 92 SER OG : rot -86:sc= 1.44 USER MOD Set 2.3: B 108 CYS SG : rot 125:sc= 1.74 USER MOD Set 3.1: B 14 SER OG : rot -91:sc= 2.27 USER MOD Set 3.2: B 88 MET CE :methyl -147:sc= -0.209 (180deg=-0.253) USER MOD Set 3.3: B 90 THR OG1 : rot -121:sc= 0.715 USER MOD Set 3.4: B 110 ASN : amide:sc= 1.98 K(o=4.7,f=-2.1!) USER MOD Set 4.1: A 65 GLN : amide:sc= 0.0883 K(o=-2.4,f=-4.7!) USER MOD Set 4.2: A 86 GLN : amide:sc= -2.23! C(o=-2.4!,f=-1.9!) USER MOD Set 4.3: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 4.4: B 70 GLN : amide:sc= -0.214 K(o=-2.4,f=-7.8!) USER MOD Set 5.1: A 10 SER OG : rot -32:sc= 0.741 USER MOD Set 5.2: A 71 TYR OH : rot -177:sc= 1.06 USER MOD Set 5.3: A 85 THR OG1 : rot -58:sc= 0.918 USER MOD Set 5.4: A 105 ASN : amide:sc= 1.3 K(o=4,f=0.82) USER MOD Set 6.1: A 70 GLN : amide:sc= 1.25 X(o=1.6,f=1.1) USER MOD Set 6.2: A 109 SER OG : rot 180:sc= 0.299 USER MOD Set 7.1: A 57 HIS : no HD1:sc= 0 X(o=0.15,f=0.0089) USER MOD Set 7.2: A 61 CYS SG : rot 79:sc= 0.154 USER MOD Set 8.1: A 46 HIS : +bothHN:sc= -1.81 K(o=-1.8,f=-7.1!) USER MOD Set 8.2: A 52 ASN : amide:sc= 0 K(o=-1.8,f=-3.5) USER MOD Set 9.1: A 12 HIS : no HE2:sc= 1.2 K(o=1.9,f=-6.6!) USER MOD Set 9.2: A 45 TYR OH : rot 75:sc= 1.28 USER MOD Set 9.3: A 103 CYS SG : rot 46:sc= -0.538 USER MOD Set10.1: A 16 MET CE :methyl -127:sc= -0.63 (180deg=-4.8!) USER MOD Set10.2: A 42 TYR OH : rot 180:sc= 0.988 USER MOD Set10.3: A 54 THR OG1 : rot -57:sc= 1.17 USER MOD Set11.1: A 13 SER OG : rot 0:sc= 1.09 USER MOD Set11.2: A 19 THR OG1 : rot 110:sc= -1.31 USER MOD Set12.1: A 7 THR OG1 : rot -40:sc= 0.916 USER MOD Set12.2: B 105 TYR OH : rot 0:sc= 0.982 USER MOD Set13.1: A 6 LYS NZ :NH3+ -167:sc= 2.59 (180deg=1.13) USER MOD Set13.2: B 99 TYR OH : rot -80:sc= 1.01 USER MOD Single : A 14 MET CE :methyl 137:sc= -0.221 (180deg=-0.38) USER MOD Single : A 17 LYS NZ :NH3+ -131:sc= 1.2 (180deg=-0.449!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 123:sc= -1.83! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.033 X(o=-0.033,f=0.0011) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 93:sc= 1.32 USER MOD Single : A 53 MET CE :methyl -126:sc= -0.174 (180deg=-0.978) USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= 1.24 (180deg=0.992) USER MOD Single : A 56 SER OG : rot 68:sc= 1.22 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc=-0.00389 K(o=-0.0039,f=-0.96) USER MOD Single : A 62 THR OG1 : rot 77:sc= 0.0303 USER MOD Single : A 63 LYS NZ :NH3+ -126:sc= 0.508 (180deg=-0.608) USER MOD Single : A 68 SER OG : rot 87:sc= 0.941 USER MOD Single : A 73 MET CE :methyl -163:sc= -0.0478 (180deg=-0.601) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.167 (180deg=-0.81) USER MOD Single : A 77 HIS : no HD1:sc= -0.0081 X(o=-0.0081,f=-0.059) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0.436 K(o=0.44,f=-11!) USER MOD Single : A 95 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 97 GLN : amide:sc= 0.555 K(o=0.56,f=-0.22) USER MOD Single : A 99 GLN : amide:sc= -4.23! C(o=-4.2!,f=-4.2!) USER MOD Single : A 100 CYS SG : rot -7:sc= 1.49 USER MOD Single : A 102 MET CE :methyl 145:sc= -0.0122 (180deg=-1.65!) USER MOD Single : A 106 TYR OH : rot -130:sc= -0.885 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.214 K(o=0.21,f=-4.2!) USER MOD Single : B 10 THR OG1 : rot 68:sc= 2.33 USER MOD Single : B 17 ASN : amide:sc= 0.348 K(o=0.35,f=-8.2!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.00429 USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 29 CYS SG : rot -48:sc= -0.0588! USER MOD Single : B 32 THR OG1 : rot -111:sc= 1.2 USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 36 GLN : amide:sc= -0.0737 X(o=-0.074,f=0) USER MOD Single : B 38 GLN : amide:sc= -0.618 K(o=-0.62,f=-4.7!) USER MOD Single : B 43 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.16) USER MOD Single : B 44 ASN : amide:sc= 0.416 X(o=0.42,f=0.16) USER MOD Single : B 49 CYS SG : rot 79:sc= -0.682 USER MOD Single : B 50 HIS : no HE2:sc= -1.2! C(o=-1.2!,f=-7!) USER MOD Single : B 54 GLN : amide:sc= 0.934 K(o=0.93,f=-0.92) USER MOD Single : B 55 GLN : amide:sc= -0.0787 K(o=-0.079,f=-0.67) USER MOD Single : B 60 SER OG : rot 73:sc= 1.21 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.108 F(o=-0.89,f=-0.11) USER MOD Single : B 63 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.23) USER MOD Single : B 73 SER OG : rot 180:sc= -0.415 USER MOD Single : B 75 MET CE :methyl 136:sc= -2.11 (180deg=-4.97!) USER MOD Single : B 80 SER OG : rot -71:sc= -2.98! USER MOD Single : B 81 LYS NZ :NH3+ 166:sc= 1.21 (180deg=1.15) USER MOD Single : B 82 ASN : amide:sc= 1.14 K(o=1.1,f=-0.42) USER MOD Single : B 83 GLN : amide:sc= 1.02 K(o=1,f=-5.2!) USER MOD Single : B 94 THR OG1 : rot -135:sc= 1.43 USER MOD Single : B 96 GLN : amide:sc= -3.39! C(o=-3.4!,f=-11!) USER MOD Single : B 97 ASN : amide:sc= -3.11! C(o=-3.1!,f=-7.8!) USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot 128:sc= -1.04 USER MOD Single : B 112 ASN : amide:sc= -0.757 K(o=-0.76,f=-7.2!) USER MOD Single : B 114 LYS NZ :NH3+ -171:sc= 1.25 (180deg=0.658) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -6.775 -12.300 -4.208 1.00 0.00 N ATOM 2 CA LYS A 6 -7.937 -11.384 -4.261 1.00 0.00 C ATOM 3 C LYS A 6 -7.694 -10.195 -3.337 1.00 0.00 C ATOM 4 O LYS A 6 -8.459 -9.935 -2.404 1.00 0.00 O ATOM 5 CB LYS A 6 -9.209 -12.141 -3.854 1.00 0.00 C ATOM 6 CG LYS A 6 -10.510 -11.407 -4.149 1.00 0.00 C ATOM 7 CD LYS A 6 -11.699 -12.139 -3.543 1.00 0.00 C ATOM 8 CE LYS A 6 -13.010 -11.413 -3.802 1.00 0.00 C ATOM 9 NZ LYS A 6 -14.083 -11.871 -2.878 1.00 0.00 N ATOM 0 HA LYS A 6 -8.067 -11.012 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.225 -13.101 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.162 -12.354 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.459 -10.394 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.645 -11.317 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.754 -13.145 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.550 -12.245 -2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.861 -10.340 -3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.321 -11.580 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.004 -11.527 -3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.093 -12.910 -2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.903 -11.496 -1.925 1.00 0.00 H new ATOM 25 N THR A 7 -6.610 -9.479 -3.599 1.00 0.00 N ATOM 26 CA THR A 7 -6.236 -8.322 -2.804 1.00 0.00 C ATOM 27 C THR A 7 -5.856 -7.167 -3.722 1.00 0.00 C ATOM 28 O THR A 7 -5.316 -7.393 -4.804 1.00 0.00 O ATOM 29 CB THR A 7 -5.043 -8.650 -1.880 1.00 0.00 C ATOM 30 OG1 THR A 7 -3.908 -9.045 -2.662 1.00 0.00 O ATOM 31 CG2 THR A 7 -5.394 -9.765 -0.907 1.00 0.00 C ATOM 0 H THR A 7 -5.969 -9.684 -4.365 1.00 0.00 H new ATOM 0 HA THR A 7 -7.090 -8.042 -2.188 1.00 0.00 H new ATOM 0 HB THR A 7 -4.804 -7.751 -1.311 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.203 -9.617 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.535 -9.975 -0.269 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.238 -9.457 -0.290 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.660 -10.663 -1.464 1.00 0.00 H new ATOM 39 N PHE A 8 -6.136 -5.939 -3.307 1.00 0.00 N ATOM 40 CA PHE A 8 -5.805 -4.776 -4.122 1.00 0.00 C ATOM 41 C PHE A 8 -5.528 -3.559 -3.249 1.00 0.00 C ATOM 42 O PHE A 8 -5.827 -3.553 -2.054 1.00 0.00 O ATOM 43 CB PHE A 8 -6.915 -4.478 -5.141 1.00 0.00 C ATOM 44 CG PHE A 8 -8.225 -4.041 -4.548 1.00 0.00 C ATOM 45 CD1 PHE A 8 -9.097 -4.967 -4.000 1.00 0.00 C ATOM 46 CD2 PHE A 8 -8.591 -2.705 -4.560 1.00 0.00 C ATOM 47 CE1 PHE A 8 -10.308 -4.567 -3.471 1.00 0.00 C ATOM 48 CE2 PHE A 8 -9.801 -2.301 -4.035 1.00 0.00 C ATOM 49 CZ PHE A 8 -10.661 -3.232 -3.491 1.00 0.00 C ATOM 0 H PHE A 8 -6.588 -5.722 -2.419 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.896 -5.007 -4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.564 -3.701 -5.820 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.086 -5.372 -5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.827 -6.013 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.922 -1.972 -4.985 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.978 -5.297 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.075 -1.256 -4.050 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.609 -2.917 -3.081 1.00 0.00 H new ATOM 59 N LEU A 9 -4.955 -2.530 -3.855 1.00 0.00 N ATOM 60 CA LEU A 9 -4.613 -1.310 -3.138 1.00 0.00 C ATOM 61 C LEU A 9 -5.652 -0.215 -3.342 1.00 0.00 C ATOM 62 O LEU A 9 -6.386 -0.202 -4.329 1.00 0.00 O ATOM 63 CB LEU A 9 -3.245 -0.791 -3.588 1.00 0.00 C ATOM 64 CG LEU A 9 -2.086 -1.082 -2.633 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.437 -0.645 -1.218 1.00 0.00 C ATOM 66 CD2 LEU A 9 -1.721 -2.558 -2.664 1.00 0.00 C ATOM 0 H LEU A 9 -4.716 -2.516 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.586 -1.563 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.011 -1.227 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.314 0.287 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.219 -0.510 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.601 -0.860 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.643 0.425 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.319 -1.187 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.895 -2.743 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.583 -3.152 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.423 -2.838 -3.674 1.00 0.00 H new ATOM 78 N SER A 10 -5.704 0.697 -2.383 1.00 0.00 N ATOM 79 CA SER A 10 -6.616 1.827 -2.423 1.00 0.00 C ATOM 80 C SER A 10 -5.932 3.050 -1.814 1.00 0.00 C ATOM 81 O SER A 10 -5.550 3.037 -0.644 1.00 0.00 O ATOM 82 CB SER A 10 -7.900 1.493 -1.659 1.00 0.00 C ATOM 83 OG SER A 10 -8.501 0.311 -2.165 1.00 0.00 O ATOM 0 H SER A 10 -5.112 0.673 -1.553 1.00 0.00 H new ATOM 0 HA SER A 10 -6.881 2.046 -3.457 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.675 1.366 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.601 2.324 -1.738 1.00 0.00 H new ATOM 0 HG SER A 10 -8.323 0.239 -3.126 1.00 0.00 H new ATOM 89 N ARG A 11 -5.750 4.098 -2.607 1.00 0.00 N ATOM 90 CA ARG A 11 -5.093 5.303 -2.117 1.00 0.00 C ATOM 91 C ARG A 11 -6.096 6.411 -1.838 1.00 0.00 C ATOM 92 O ARG A 11 -6.741 6.935 -2.750 1.00 0.00 O ATOM 93 CB ARG A 11 -4.041 5.786 -3.116 1.00 0.00 C ATOM 94 CG ARG A 11 -3.219 6.967 -2.617 1.00 0.00 C ATOM 95 CD ARG A 11 -2.046 7.256 -3.539 1.00 0.00 C ATOM 96 NE ARG A 11 -1.317 6.039 -3.878 1.00 0.00 N ATOM 97 CZ ARG A 11 -0.312 5.985 -4.747 1.00 0.00 C ATOM 98 NH1 ARG A 11 0.114 7.083 -5.361 1.00 0.00 N ATOM 99 NH2 ARG A 11 0.267 4.828 -5.011 1.00 0.00 N ATOM 0 H ARG A 11 -6.045 4.139 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.601 5.049 -1.178 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.369 4.960 -3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.537 6.067 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.854 7.850 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.851 6.758 -1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.408 7.730 -4.451 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.370 7.964 -3.058 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.596 5.172 -3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.331 7.980 -5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.886 7.029 -6.026 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.057 3.978 -4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.038 4.784 -5.677 1.00 0.00 H new ATOM 113 N HIS A 12 -6.219 6.760 -0.568 1.00 0.00 N ATOM 114 CA HIS A 12 -7.122 7.815 -0.146 1.00 0.00 C ATOM 115 C HIS A 12 -6.316 9.019 0.321 1.00 0.00 C ATOM 116 O HIS A 12 -5.217 8.860 0.855 1.00 0.00 O ATOM 117 CB HIS A 12 -8.034 7.331 0.987 1.00 0.00 C ATOM 118 CG HIS A 12 -9.096 6.365 0.552 1.00 0.00 C ATOM 119 ND1 HIS A 12 -10.393 6.744 0.292 1.00 0.00 N ATOM 120 CD2 HIS A 12 -9.052 5.026 0.352 1.00 0.00 C ATOM 121 CE1 HIS A 12 -11.101 5.685 -0.046 1.00 0.00 C ATOM 122 NE2 HIS A 12 -10.314 4.626 -0.019 1.00 0.00 N ATOM 0 H HIS A 12 -5.700 6.323 0.193 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.747 8.097 -0.993 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.421 6.858 1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.512 8.195 1.448 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -10.751 7.697 0.352 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.186 4.390 0.463 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.150 5.684 -0.302 1.00 0.00 H new ATOM 131 N SER A 13 -6.844 10.212 0.098 1.00 0.00 N ATOM 132 CA SER A 13 -6.182 11.447 0.510 1.00 0.00 C ATOM 133 C SER A 13 -7.183 12.591 0.507 1.00 0.00 C ATOM 134 O SER A 13 -8.319 12.416 0.055 1.00 0.00 O ATOM 135 CB SER A 13 -5.007 11.782 -0.418 1.00 0.00 C ATOM 136 OG SER A 13 -3.948 10.851 -0.267 1.00 0.00 O ATOM 0 H SER A 13 -7.738 10.355 -0.371 1.00 0.00 H new ATOM 0 HA SER A 13 -5.790 11.305 1.517 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.348 11.783 -1.453 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.644 12.787 -0.201 1.00 0.00 H new ATOM 0 HG SER A 13 -4.195 10.181 0.405 1.00 0.00 H new ATOM 142 N MET A 14 -6.761 13.745 1.023 1.00 0.00 N ATOM 143 CA MET A 14 -7.609 14.933 1.080 1.00 0.00 C ATOM 144 C MET A 14 -8.845 14.652 1.927 1.00 0.00 C ATOM 145 O MET A 14 -8.728 14.192 3.063 1.00 0.00 O ATOM 146 CB MET A 14 -8.004 15.380 -0.332 1.00 0.00 C ATOM 147 CG MET A 14 -6.822 15.811 -1.186 1.00 0.00 C ATOM 148 SD MET A 14 -7.213 15.871 -2.945 1.00 0.00 S ATOM 149 CE MET A 14 -7.230 14.125 -3.352 1.00 0.00 C ATOM 0 H MET A 14 -5.828 13.882 1.411 1.00 0.00 H new ATOM 0 HA MET A 14 -7.048 15.744 1.545 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.523 14.562 -0.831 1.00 0.00 H new ATOM 0 HB3 MET A 14 -8.709 16.208 -0.258 1.00 0.00 H new ATOM 0 HG2 MET A 14 -6.484 16.795 -0.860 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.994 15.121 -1.026 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.082 13.910 -3.997 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.307 13.863 -3.870 1.00 0.00 H new ATOM 0 HE3 MET A 14 -7.311 13.539 -2.437 1.00 0.00 H new ATOM 159 N ASP A 15 -10.025 14.894 1.369 1.00 0.00 N ATOM 160 CA ASP A 15 -11.274 14.655 2.084 1.00 0.00 C ATOM 161 C ASP A 15 -11.664 13.181 1.994 1.00 0.00 C ATOM 162 O ASP A 15 -12.807 12.837 1.685 1.00 0.00 O ATOM 163 CB ASP A 15 -12.395 15.550 1.535 1.00 0.00 C ATOM 164 CG ASP A 15 -12.608 15.387 0.043 1.00 0.00 C ATOM 165 OD1 ASP A 15 -11.671 15.671 -0.731 1.00 0.00 O ATOM 166 OD2 ASP A 15 -13.716 14.989 -0.366 1.00 0.00 O ATOM 0 H ASP A 15 -10.144 15.256 0.423 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.125 14.908 3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.324 15.319 2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.159 16.592 1.751 1.00 0.00 H new ATOM 171 N MET A 16 -10.677 12.322 2.258 1.00 0.00 N ATOM 172 CA MET A 16 -10.829 10.863 2.245 1.00 0.00 C ATOM 173 C MET A 16 -11.223 10.319 0.865 1.00 0.00 C ATOM 174 O MET A 16 -11.490 9.127 0.715 1.00 0.00 O ATOM 175 CB MET A 16 -11.826 10.415 3.332 1.00 0.00 C ATOM 176 CG MET A 16 -13.241 10.122 2.839 1.00 0.00 C ATOM 177 SD MET A 16 -13.676 8.378 2.986 1.00 0.00 S ATOM 178 CE MET A 16 -13.740 8.199 4.766 1.00 0.00 C ATOM 0 H MET A 16 -9.732 12.625 2.491 1.00 0.00 H new ATOM 0 HA MET A 16 -9.852 10.436 2.471 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.434 9.519 3.814 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.878 11.191 4.096 1.00 0.00 H new ATOM 0 HG2 MET A 16 -13.952 10.720 3.409 1.00 0.00 H new ATOM 0 HG3 MET A 16 -13.330 10.429 1.797 1.00 0.00 H new ATOM 0 HE1 MET A 16 -13.104 7.368 5.071 1.00 0.00 H new ATOM 0 HE2 MET A 16 -13.388 9.117 5.237 1.00 0.00 H new ATOM 0 HE3 MET A 16 -14.767 8.003 5.075 1.00 0.00 H new ATOM 188 N LYS A 17 -11.205 11.173 -0.151 1.00 0.00 N ATOM 189 CA LYS A 17 -11.572 10.749 -1.496 1.00 0.00 C ATOM 190 C LYS A 17 -10.468 9.902 -2.126 1.00 0.00 C ATOM 191 O LYS A 17 -9.382 9.751 -1.556 1.00 0.00 O ATOM 192 CB LYS A 17 -11.905 11.948 -2.389 1.00 0.00 C ATOM 193 CG LYS A 17 -10.839 13.031 -2.420 1.00 0.00 C ATOM 194 CD LYS A 17 -10.920 13.855 -3.697 1.00 0.00 C ATOM 195 CE LYS A 17 -12.345 14.306 -3.999 1.00 0.00 C ATOM 196 NZ LYS A 17 -12.755 15.478 -3.181 1.00 0.00 N ATOM 0 H LYS A 17 -10.942 12.155 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.468 10.134 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.072 11.592 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.842 12.389 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.957 13.684 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.852 12.574 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.275 14.729 -3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.542 13.266 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.427 14.558 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.031 13.480 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.683 15.293 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.052 15.642 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.817 16.320 -3.788 1.00 0.00 H new ATOM 210 N PHE A 18 -10.750 9.352 -3.299 1.00 0.00 N ATOM 211 CA PHE A 18 -9.792 8.505 -3.995 1.00 0.00 C ATOM 212 C PHE A 18 -8.788 9.336 -4.780 1.00 0.00 C ATOM 213 O PHE A 18 -9.157 10.268 -5.497 1.00 0.00 O ATOM 214 CB PHE A 18 -10.514 7.544 -4.939 1.00 0.00 C ATOM 215 CG PHE A 18 -10.720 6.171 -4.367 1.00 0.00 C ATOM 216 CD1 PHE A 18 -9.641 5.414 -3.940 1.00 0.00 C ATOM 217 CD2 PHE A 18 -11.993 5.636 -4.261 1.00 0.00 C ATOM 218 CE1 PHE A 18 -9.828 4.147 -3.420 1.00 0.00 C ATOM 219 CE2 PHE A 18 -12.186 4.371 -3.742 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.103 3.625 -3.320 1.00 0.00 C ATOM 0 H PHE A 18 -11.636 9.478 -3.789 1.00 0.00 H new ATOM 0 HA PHE A 18 -9.251 7.932 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.484 7.967 -5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.943 7.460 -5.863 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.642 5.818 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.844 6.215 -4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.979 3.566 -3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.184 3.965 -3.666 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.253 2.636 -2.913 1.00 0.00 H new ATOM 230 N THR A 19 -7.518 9.001 -4.625 1.00 0.00 N ATOM 231 CA THR A 19 -6.446 9.693 -5.324 1.00 0.00 C ATOM 232 C THR A 19 -5.791 8.760 -6.340 1.00 0.00 C ATOM 233 O THR A 19 -5.250 9.196 -7.359 1.00 0.00 O ATOM 234 CB THR A 19 -5.389 10.191 -4.325 1.00 0.00 C ATOM 235 OG1 THR A 19 -6.024 10.494 -3.075 1.00 0.00 O ATOM 236 CG2 THR A 19 -4.677 11.426 -4.855 1.00 0.00 C ATOM 0 H THR A 19 -7.201 8.247 -4.015 1.00 0.00 H new ATOM 0 HA THR A 19 -6.872 10.550 -5.846 1.00 0.00 H new ATOM 0 HB THR A 19 -4.646 9.406 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.758 9.832 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.935 11.758 -4.129 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.182 11.185 -5.796 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.403 12.222 -5.021 1.00 0.00 H new ATOM 244 N TYR A 20 -5.861 7.469 -6.049 1.00 0.00 N ATOM 245 CA TYR A 20 -5.296 6.442 -6.908 1.00 0.00 C ATOM 246 C TYR A 20 -5.962 5.110 -6.592 1.00 0.00 C ATOM 247 O TYR A 20 -6.226 4.805 -5.426 1.00 0.00 O ATOM 248 CB TYR A 20 -3.779 6.344 -6.707 1.00 0.00 C ATOM 249 CG TYR A 20 -3.098 5.385 -7.658 1.00 0.00 C ATOM 250 CD1 TYR A 20 -3.062 5.638 -9.024 1.00 0.00 C ATOM 251 CD2 TYR A 20 -2.495 4.224 -7.188 1.00 0.00 C ATOM 252 CE1 TYR A 20 -2.444 4.761 -9.894 1.00 0.00 C ATOM 253 CE2 TYR A 20 -1.875 3.342 -8.053 1.00 0.00 C ATOM 254 CZ TYR A 20 -1.853 3.615 -9.403 1.00 0.00 C ATOM 255 OH TYR A 20 -1.237 2.739 -10.267 1.00 0.00 O ATOM 0 H TYR A 20 -6.312 7.105 -5.210 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.479 6.702 -7.951 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.341 7.335 -6.829 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.577 6.030 -5.683 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.524 6.534 -9.411 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.511 4.008 -6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.424 4.971 -10.953 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.411 2.444 -7.673 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.870 1.984 -9.761 1.00 0.00 H new ATOM 265 N CYS A 21 -6.242 4.326 -7.619 1.00 0.00 N ATOM 266 CA CYS A 21 -6.891 3.038 -7.434 1.00 0.00 C ATOM 267 C CYS A 21 -6.044 1.913 -8.012 1.00 0.00 C ATOM 268 O CYS A 21 -4.960 2.151 -8.548 1.00 0.00 O ATOM 269 CB CYS A 21 -8.269 3.050 -8.092 1.00 0.00 C ATOM 270 SG CYS A 21 -9.182 4.588 -7.840 1.00 0.00 S ATOM 0 H CYS A 21 -6.030 4.558 -8.589 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.005 2.862 -6.364 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.152 2.879 -9.162 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.857 2.221 -7.699 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.491 5.103 -8.993 1.00 0.00 H new ATOM 276 N ASP A 22 -6.543 0.693 -7.901 1.00 0.00 N ATOM 277 CA ASP A 22 -5.836 -0.473 -8.409 1.00 0.00 C ATOM 278 C ASP A 22 -6.591 -1.080 -9.582 1.00 0.00 C ATOM 279 O ASP A 22 -7.802 -0.903 -9.701 1.00 0.00 O ATOM 280 CB ASP A 22 -5.665 -1.507 -7.300 1.00 0.00 C ATOM 281 CG ASP A 22 -4.351 -2.248 -7.405 1.00 0.00 C ATOM 282 OD1 ASP A 22 -3.397 -1.698 -7.994 1.00 0.00 O ATOM 283 OD2 ASP A 22 -4.266 -3.379 -6.889 1.00 0.00 O ATOM 0 H ASP A 22 -7.439 0.483 -7.462 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.850 -0.161 -8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.724 -1.011 -6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.487 -2.221 -7.342 1.00 0.00 H new ATOM 288 N ASP A 23 -5.886 -1.816 -10.433 1.00 0.00 N ATOM 289 CA ASP A 23 -6.503 -2.435 -11.609 1.00 0.00 C ATOM 290 C ASP A 23 -7.296 -3.684 -11.236 1.00 0.00 C ATOM 291 O ASP A 23 -7.866 -4.350 -12.097 1.00 0.00 O ATOM 292 CB ASP A 23 -5.437 -2.785 -12.658 1.00 0.00 C ATOM 293 CG ASP A 23 -4.519 -3.916 -12.226 1.00 0.00 C ATOM 294 OD1 ASP A 23 -3.649 -3.684 -11.364 1.00 0.00 O ATOM 295 OD2 ASP A 23 -4.650 -5.040 -12.762 1.00 0.00 O ATOM 0 H ASP A 23 -4.888 -2.001 -10.334 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.196 -1.708 -12.033 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.931 -3.062 -13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.837 -1.899 -12.867 1.00 0.00 H new ATOM 300 N ARG A 24 -7.348 -3.988 -9.949 1.00 0.00 N ATOM 301 CA ARG A 24 -8.068 -5.161 -9.472 1.00 0.00 C ATOM 302 C ARG A 24 -9.419 -4.776 -8.871 1.00 0.00 C ATOM 303 O ARG A 24 -10.147 -5.629 -8.368 1.00 0.00 O ATOM 304 CB ARG A 24 -7.236 -5.899 -8.422 1.00 0.00 C ATOM 305 CG ARG A 24 -5.814 -6.206 -8.859 1.00 0.00 C ATOM 306 CD ARG A 24 -4.960 -6.605 -7.670 1.00 0.00 C ATOM 307 NE ARG A 24 -3.620 -7.028 -8.063 1.00 0.00 N ATOM 308 CZ ARG A 24 -3.010 -8.106 -7.572 1.00 0.00 C ATOM 309 NH1 ARG A 24 -3.612 -8.855 -6.652 1.00 0.00 N ATOM 310 NH2 ARG A 24 -1.793 -8.423 -7.983 1.00 0.00 N ATOM 0 H ARG A 24 -6.901 -3.439 -9.215 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.243 -5.814 -10.327 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.203 -5.299 -7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.736 -6.834 -8.169 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.820 -7.011 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.382 -5.332 -9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.885 -5.763 -6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.450 -7.415 -7.130 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.122 -6.466 -8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.544 -8.605 -6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.142 -9.680 -6.278 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.321 -7.842 -8.676 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.326 -9.248 -7.607 1.00 0.00 H new ATOM 324 N ILE A 25 -9.761 -3.495 -8.937 1.00 0.00 N ATOM 325 CA ILE A 25 -11.020 -3.020 -8.371 1.00 0.00 C ATOM 326 C ILE A 25 -12.161 -3.084 -9.393 1.00 0.00 C ATOM 327 O ILE A 25 -13.335 -3.187 -9.026 1.00 0.00 O ATOM 328 CB ILE A 25 -10.876 -1.575 -7.827 1.00 0.00 C ATOM 329 CG1 ILE A 25 -12.023 -1.247 -6.869 1.00 0.00 C ATOM 330 CG2 ILE A 25 -10.826 -0.564 -8.965 1.00 0.00 C ATOM 331 CD1 ILE A 25 -11.819 0.037 -6.091 1.00 0.00 C ATOM 0 H ILE A 25 -9.190 -2.771 -9.373 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.268 -3.684 -7.543 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.936 -1.513 -7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.950 -1.173 -7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.145 -2.072 -6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.725 0.441 -8.555 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.973 -0.781 -9.608 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.745 -0.627 -9.548 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.672 0.203 -5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.910 -0.040 -5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.728 0.872 -6.785 1.00 0.00 H new ATOM 343 N THR A 26 -11.806 -3.058 -10.670 1.00 0.00 N ATOM 344 CA THR A 26 -12.782 -3.090 -11.748 1.00 0.00 C ATOM 345 C THR A 26 -13.592 -4.388 -11.761 1.00 0.00 C ATOM 346 O THR A 26 -14.788 -4.377 -12.048 1.00 0.00 O ATOM 347 CB THR A 26 -12.078 -2.919 -13.102 1.00 0.00 C ATOM 348 OG1 THR A 26 -10.744 -2.431 -12.889 1.00 0.00 O ATOM 349 CG2 THR A 26 -12.842 -1.951 -13.993 1.00 0.00 C ATOM 0 H THR A 26 -10.837 -3.014 -10.986 1.00 0.00 H new ATOM 0 HA THR A 26 -13.474 -2.266 -11.576 1.00 0.00 H new ATOM 0 HB THR A 26 -12.042 -3.888 -13.600 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.293 -2.323 -13.753 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.323 -1.847 -14.946 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.848 -2.333 -14.167 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.903 -0.978 -13.505 1.00 0.00 H new ATOM 357 N GLU A 27 -12.947 -5.498 -11.425 1.00 0.00 N ATOM 358 CA GLU A 27 -13.615 -6.799 -11.422 1.00 0.00 C ATOM 359 C GLU A 27 -14.277 -7.099 -10.078 1.00 0.00 C ATOM 360 O GLU A 27 -14.770 -8.205 -9.854 1.00 0.00 O ATOM 361 CB GLU A 27 -12.613 -7.902 -11.757 1.00 0.00 C ATOM 362 CG GLU A 27 -11.959 -7.732 -13.117 1.00 0.00 C ATOM 363 CD GLU A 27 -12.959 -7.775 -14.256 1.00 0.00 C ATOM 364 OE1 GLU A 27 -13.484 -6.707 -14.633 1.00 0.00 O ATOM 365 OE2 GLU A 27 -13.216 -8.876 -14.783 1.00 0.00 O ATOM 0 H GLU A 27 -11.965 -5.527 -11.151 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.398 -6.766 -12.180 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.839 -7.924 -10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.121 -8.866 -11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.425 -6.782 -13.143 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.217 -8.518 -13.260 1.00 0.00 H new ATOM 372 N LEU A 28 -14.289 -6.120 -9.186 1.00 0.00 N ATOM 373 CA LEU A 28 -14.891 -6.306 -7.871 1.00 0.00 C ATOM 374 C LEU A 28 -16.016 -5.306 -7.627 1.00 0.00 C ATOM 375 O LEU A 28 -17.099 -5.672 -7.169 1.00 0.00 O ATOM 376 CB LEU A 28 -13.825 -6.179 -6.778 1.00 0.00 C ATOM 377 CG LEU A 28 -12.824 -7.338 -6.711 1.00 0.00 C ATOM 378 CD1 LEU A 28 -11.734 -7.050 -5.689 1.00 0.00 C ATOM 379 CD2 LEU A 28 -13.535 -8.641 -6.378 1.00 0.00 C ATOM 0 H LEU A 28 -13.892 -5.194 -9.345 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.320 -7.308 -7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.274 -5.252 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.324 -6.094 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.357 -7.441 -7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.035 -7.885 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.202 -6.141 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.184 -6.917 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.808 -9.452 -6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.032 -8.548 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.275 -8.858 -7.148 1.00 0.00 H new ATOM 391 N ILE A 29 -15.761 -4.046 -7.936 1.00 0.00 N ATOM 392 CA ILE A 29 -16.756 -3.002 -7.737 1.00 0.00 C ATOM 393 C ILE A 29 -17.459 -2.665 -9.048 1.00 0.00 C ATOM 394 O ILE A 29 -18.608 -2.221 -9.057 1.00 0.00 O ATOM 395 CB ILE A 29 -16.110 -1.723 -7.150 1.00 0.00 C ATOM 396 CG1 ILE A 29 -15.275 -2.063 -5.911 1.00 0.00 C ATOM 397 CG2 ILE A 29 -17.170 -0.686 -6.804 1.00 0.00 C ATOM 398 CD1 ILE A 29 -16.049 -2.779 -4.823 1.00 0.00 C ATOM 0 H ILE A 29 -14.876 -3.720 -8.325 1.00 0.00 H new ATOM 0 HA ILE A 29 -17.491 -3.381 -7.028 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.453 -1.299 -7.909 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.433 -2.685 -6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.860 -1.142 -5.501 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.690 0.202 -6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -17.723 -0.417 -7.704 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.857 -1.100 -6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.388 -2.984 -3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -16.875 -2.151 -4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.441 -3.718 -5.213 1.00 0.00 H new ATOM 410 N GLY A 30 -16.769 -2.892 -10.157 1.00 0.00 N ATOM 411 CA GLY A 30 -17.339 -2.588 -11.455 1.00 0.00 C ATOM 412 C GLY A 30 -17.046 -1.162 -11.870 1.00 0.00 C ATOM 413 O GLY A 30 -17.361 -0.746 -12.987 1.00 0.00 O ATOM 0 H GLY A 30 -15.826 -3.281 -10.182 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.937 -3.275 -12.200 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.417 -2.745 -11.426 1.00 0.00 H new ATOM 417 N TYR A 31 -16.451 -0.416 -10.955 1.00 0.00 N ATOM 418 CA TYR A 31 -16.094 0.971 -11.194 1.00 0.00 C ATOM 419 C TYR A 31 -14.684 1.055 -11.761 1.00 0.00 C ATOM 420 O TYR A 31 -13.786 0.339 -11.318 1.00 0.00 O ATOM 421 CB TYR A 31 -16.163 1.762 -9.884 1.00 0.00 C ATOM 422 CG TYR A 31 -17.345 2.702 -9.772 1.00 0.00 C ATOM 423 CD1 TYR A 31 -17.452 3.819 -10.590 1.00 0.00 C ATOM 424 CD2 TYR A 31 -18.346 2.478 -8.834 1.00 0.00 C ATOM 425 CE1 TYR A 31 -18.524 4.684 -10.478 1.00 0.00 C ATOM 426 CE2 TYR A 31 -19.421 3.337 -8.718 1.00 0.00 C ATOM 427 CZ TYR A 31 -19.506 4.437 -9.542 1.00 0.00 C ATOM 428 OH TYR A 31 -20.579 5.295 -9.432 1.00 0.00 O ATOM 0 H TYR A 31 -16.202 -0.755 -10.026 1.00 0.00 H new ATOM 0 HA TYR A 31 -16.797 1.396 -11.910 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -16.196 1.058 -9.052 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.245 2.340 -9.776 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -16.686 4.015 -11.325 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -18.282 1.617 -8.185 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -18.592 5.549 -11.121 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -20.191 3.147 -7.985 1.00 0.00 H new ATOM 0 HH TYR A 31 -21.180 4.978 -8.726 1.00 0.00 H new ATOM 438 N HIS A 32 -14.500 1.916 -12.747 1.00 0.00 N ATOM 439 CA HIS A 32 -13.194 2.101 -13.359 1.00 0.00 C ATOM 440 C HIS A 32 -12.280 2.859 -12.406 1.00 0.00 C ATOM 441 O HIS A 32 -12.699 3.839 -11.793 1.00 0.00 O ATOM 442 CB HIS A 32 -13.325 2.870 -14.678 1.00 0.00 C ATOM 443 CG HIS A 32 -13.256 1.998 -15.890 1.00 0.00 C ATOM 444 ND1 HIS A 32 -14.342 1.314 -16.395 1.00 0.00 N ATOM 445 CD2 HIS A 32 -12.220 1.706 -16.709 1.00 0.00 C ATOM 446 CE1 HIS A 32 -13.974 0.637 -17.465 1.00 0.00 C ATOM 447 NE2 HIS A 32 -12.693 0.858 -17.678 1.00 0.00 N ATOM 0 H HIS A 32 -15.238 2.499 -13.142 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.764 1.122 -13.568 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -14.273 3.409 -14.682 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.533 3.617 -14.733 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.208 2.072 -16.617 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.614 0.008 -18.065 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -12.142 0.463 -18.440 1.00 0.00 H new ATOM 456 N PRO A 33 -11.027 2.405 -12.252 1.00 0.00 N ATOM 457 CA PRO A 33 -10.050 3.045 -11.366 1.00 0.00 C ATOM 458 C PRO A 33 -9.962 4.558 -11.571 1.00 0.00 C ATOM 459 O PRO A 33 -9.983 5.321 -10.603 1.00 0.00 O ATOM 460 CB PRO A 33 -8.733 2.373 -11.751 1.00 0.00 C ATOM 461 CG PRO A 33 -9.137 1.026 -12.234 1.00 0.00 C ATOM 462 CD PRO A 33 -10.465 1.215 -12.916 1.00 0.00 C ATOM 0 HA PRO A 33 -10.318 2.925 -10.316 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.212 2.934 -12.527 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.057 2.304 -10.899 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.397 0.620 -12.924 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.220 0.322 -11.406 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.347 1.372 -13.988 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.108 0.344 -12.790 1.00 0.00 H new ATOM 470 N GLU A 34 -9.900 4.988 -12.827 1.00 0.00 N ATOM 471 CA GLU A 34 -9.800 6.412 -13.151 1.00 0.00 C ATOM 472 C GLU A 34 -11.097 7.153 -12.832 1.00 0.00 C ATOM 473 O GLU A 34 -11.104 8.375 -12.688 1.00 0.00 O ATOM 474 CB GLU A 34 -9.440 6.611 -14.625 1.00 0.00 C ATOM 475 CG GLU A 34 -10.308 5.815 -15.585 1.00 0.00 C ATOM 476 CD GLU A 34 -9.735 4.449 -15.879 1.00 0.00 C ATOM 477 OE1 GLU A 34 -8.937 4.327 -16.832 1.00 0.00 O ATOM 478 OE2 GLU A 34 -10.071 3.494 -15.150 1.00 0.00 O ATOM 0 H GLU A 34 -9.917 4.372 -13.640 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.006 6.828 -12.531 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.523 7.670 -14.869 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.398 6.330 -14.775 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.306 5.704 -15.162 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.417 6.369 -16.517 1.00 0.00 H new ATOM 485 N GLU A 35 -12.187 6.408 -12.725 1.00 0.00 N ATOM 486 CA GLU A 35 -13.485 6.990 -12.416 1.00 0.00 C ATOM 487 C GLU A 35 -13.623 7.200 -10.917 1.00 0.00 C ATOM 488 O GLU A 35 -14.335 8.098 -10.466 1.00 0.00 O ATOM 489 CB GLU A 35 -14.608 6.085 -12.919 1.00 0.00 C ATOM 490 CG GLU A 35 -15.132 6.478 -14.285 1.00 0.00 C ATOM 491 CD GLU A 35 -15.734 7.865 -14.288 1.00 0.00 C ATOM 492 OE1 GLU A 35 -16.846 8.038 -13.744 1.00 0.00 O ATOM 493 OE2 GLU A 35 -15.097 8.789 -14.833 1.00 0.00 O ATOM 0 H GLU A 35 -12.198 5.396 -12.848 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.559 7.955 -12.918 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.246 5.058 -12.959 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.430 6.106 -12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.319 6.435 -15.010 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.884 5.757 -14.605 1.00 0.00 H new ATOM 500 N LEU A 36 -12.938 6.359 -10.156 1.00 0.00 N ATOM 501 CA LEU A 36 -12.968 6.432 -8.704 1.00 0.00 C ATOM 502 C LEU A 36 -12.077 7.559 -8.202 1.00 0.00 C ATOM 503 O LEU A 36 -12.488 8.364 -7.368 1.00 0.00 O ATOM 504 CB LEU A 36 -12.516 5.103 -8.100 1.00 0.00 C ATOM 505 CG LEU A 36 -13.370 3.894 -8.475 1.00 0.00 C ATOM 506 CD1 LEU A 36 -12.506 2.651 -8.601 1.00 0.00 C ATOM 507 CD2 LEU A 36 -14.460 3.676 -7.441 1.00 0.00 C ATOM 0 H LEU A 36 -12.350 5.612 -10.525 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.993 6.636 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.489 4.912 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.508 5.200 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.839 4.088 -9.440 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.131 1.799 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.755 2.807 -9.375 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.012 2.454 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.060 2.811 -7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.006 3.501 -6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.097 4.559 -7.392 1.00 0.00 H new ATOM 519 N LEU A 37 -10.854 7.624 -8.718 1.00 0.00 N ATOM 520 CA LEU A 37 -9.924 8.661 -8.297 1.00 0.00 C ATOM 521 C LEU A 37 -10.347 10.013 -8.860 1.00 0.00 C ATOM 522 O LEU A 37 -10.718 10.127 -10.029 1.00 0.00 O ATOM 523 CB LEU A 37 -8.479 8.319 -8.696 1.00 0.00 C ATOM 524 CG LEU A 37 -8.242 7.971 -10.169 1.00 0.00 C ATOM 525 CD1 LEU A 37 -7.787 9.195 -10.948 1.00 0.00 C ATOM 526 CD2 LEU A 37 -7.207 6.863 -10.285 1.00 0.00 C ATOM 0 H LEU A 37 -10.489 6.979 -9.419 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.951 8.718 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.844 9.167 -8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.147 7.477 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.184 7.625 -10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.625 8.923 -11.991 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.552 9.969 -10.889 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.857 9.572 -10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.046 6.624 -11.336 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.268 7.194 -9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.563 5.976 -9.761 1.00 0.00 H new ATOM 538 N GLY A 38 -10.316 11.028 -8.015 1.00 0.00 N ATOM 539 CA GLY A 38 -10.711 12.354 -8.440 1.00 0.00 C ATOM 540 C GLY A 38 -12.056 12.749 -7.874 1.00 0.00 C ATOM 541 O GLY A 38 -12.336 13.930 -7.686 1.00 0.00 O ATOM 0 H GLY A 38 -10.024 10.959 -7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.958 13.076 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.750 12.390 -9.529 1.00 0.00 H new ATOM 545 N ARG A 39 -12.890 11.760 -7.594 1.00 0.00 N ATOM 546 CA ARG A 39 -14.207 12.018 -7.038 1.00 0.00 C ATOM 547 C ARG A 39 -14.236 11.635 -5.564 1.00 0.00 C ATOM 548 O ARG A 39 -13.263 11.083 -5.043 1.00 0.00 O ATOM 549 CB ARG A 39 -15.285 11.258 -7.816 1.00 0.00 C ATOM 550 CG ARG A 39 -15.261 9.755 -7.605 1.00 0.00 C ATOM 551 CD ARG A 39 -16.605 9.128 -7.935 1.00 0.00 C ATOM 552 NE ARG A 39 -16.783 8.893 -9.370 1.00 0.00 N ATOM 553 CZ ARG A 39 -17.971 8.912 -9.977 1.00 0.00 C ATOM 554 NH1 ARG A 39 -19.058 9.257 -9.296 1.00 0.00 N ATOM 555 NH2 ARG A 39 -18.073 8.614 -11.270 1.00 0.00 N ATOM 0 H ARG A 39 -12.678 10.773 -7.743 1.00 0.00 H new ATOM 0 HA ARG A 39 -14.418 13.084 -7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.264 11.639 -7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -15.165 11.466 -8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -14.487 9.310 -8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.000 9.535 -6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -16.701 8.182 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.403 9.778 -7.576 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.955 8.705 -9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -18.984 9.507 -8.310 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -19.967 9.272 -9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.239 8.369 -11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -18.985 8.631 -11.727 1.00 0.00 H new ATOM 569 N SER A 40 -15.340 11.930 -4.892 1.00 0.00 N ATOM 570 CA SER A 40 -15.473 11.621 -3.476 1.00 0.00 C ATOM 571 C SER A 40 -15.679 10.126 -3.259 1.00 0.00 C ATOM 572 O SER A 40 -16.318 9.448 -4.065 1.00 0.00 O ATOM 573 CB SER A 40 -16.632 12.408 -2.865 1.00 0.00 C ATOM 574 OG SER A 40 -16.486 13.795 -3.111 1.00 0.00 O ATOM 0 H SER A 40 -16.156 12.383 -5.305 1.00 0.00 H new ATOM 0 HA SER A 40 -14.548 11.913 -2.979 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.575 12.058 -3.284 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.673 12.227 -1.791 1.00 0.00 H new ATOM 0 HG SER A 40 -17.239 14.279 -2.713 1.00 0.00 H new ATOM 580 N ALA A 41 -15.140 9.619 -2.161 1.00 0.00 N ATOM 581 CA ALA A 41 -15.259 8.209 -1.836 1.00 0.00 C ATOM 582 C ALA A 41 -16.614 7.924 -1.210 1.00 0.00 C ATOM 583 O ALA A 41 -17.203 6.871 -1.439 1.00 0.00 O ATOM 584 CB ALA A 41 -14.141 7.782 -0.897 1.00 0.00 C ATOM 0 H ALA A 41 -14.615 10.166 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.173 7.633 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.246 6.722 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.177 7.954 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.197 8.363 0.024 1.00 0.00 H new ATOM 590 N TYR A 42 -17.122 8.895 -0.454 1.00 0.00 N ATOM 591 CA TYR A 42 -18.413 8.766 0.226 1.00 0.00 C ATOM 592 C TYR A 42 -19.562 8.532 -0.756 1.00 0.00 C ATOM 593 O TYR A 42 -20.662 8.158 -0.351 1.00 0.00 O ATOM 594 CB TYR A 42 -18.697 10.013 1.068 1.00 0.00 C ATOM 595 CG TYR A 42 -18.085 9.967 2.449 1.00 0.00 C ATOM 596 CD1 TYR A 42 -18.478 9.004 3.370 1.00 0.00 C ATOM 597 CD2 TYR A 42 -17.118 10.887 2.833 1.00 0.00 C ATOM 598 CE1 TYR A 42 -17.924 8.959 4.634 1.00 0.00 C ATOM 599 CE2 TYR A 42 -16.559 10.849 4.096 1.00 0.00 C ATOM 600 CZ TYR A 42 -16.966 9.884 4.992 1.00 0.00 C ATOM 601 OH TYR A 42 -16.413 9.842 6.252 1.00 0.00 O ATOM 0 H TYR A 42 -16.656 9.788 -0.295 1.00 0.00 H new ATOM 0 HA TYR A 42 -18.348 7.892 0.875 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -18.319 10.889 0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -19.776 10.139 1.162 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -19.229 8.279 3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -16.798 11.644 2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -18.239 8.203 5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -15.808 11.571 4.379 1.00 0.00 H new ATOM 0 HH TYR A 42 -15.754 10.561 6.344 1.00 0.00 H new ATOM 611 N GLU A 43 -19.299 8.744 -2.040 1.00 0.00 N ATOM 612 CA GLU A 43 -20.308 8.551 -3.073 1.00 0.00 C ATOM 613 C GLU A 43 -20.699 7.077 -3.191 1.00 0.00 C ATOM 614 O GLU A 43 -21.840 6.752 -3.513 1.00 0.00 O ATOM 615 CB GLU A 43 -19.788 9.053 -4.425 1.00 0.00 C ATOM 616 CG GLU A 43 -19.561 10.556 -4.481 1.00 0.00 C ATOM 617 CD GLU A 43 -19.034 11.021 -5.828 1.00 0.00 C ATOM 618 OE1 GLU A 43 -19.416 10.428 -6.863 1.00 0.00 O ATOM 619 OE2 GLU A 43 -18.236 11.984 -5.860 1.00 0.00 O ATOM 0 H GLU A 43 -18.392 9.051 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 43 -21.191 9.124 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -18.851 8.546 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -20.499 8.774 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -20.498 11.069 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -18.855 10.842 -3.701 1.00 0.00 H new ATOM 626 N PHE A 44 -19.754 6.188 -2.913 1.00 0.00 N ATOM 627 CA PHE A 44 -20.008 4.751 -3.016 1.00 0.00 C ATOM 628 C PHE A 44 -19.460 3.979 -1.815 1.00 0.00 C ATOM 629 O PHE A 44 -19.664 2.772 -1.700 1.00 0.00 O ATOM 630 CB PHE A 44 -19.388 4.207 -4.309 1.00 0.00 C ATOM 631 CG PHE A 44 -18.099 4.890 -4.692 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.957 4.743 -3.920 1.00 0.00 C ATOM 633 CD2 PHE A 44 -18.038 5.688 -5.823 1.00 0.00 C ATOM 634 CE1 PHE A 44 -15.780 5.379 -4.268 1.00 0.00 C ATOM 635 CE2 PHE A 44 -16.864 6.324 -6.175 1.00 0.00 C ATOM 636 CZ PHE A 44 -15.734 6.171 -5.396 1.00 0.00 C ATOM 0 H PHE A 44 -18.809 6.431 -2.616 1.00 0.00 H new ATOM 0 HA PHE A 44 -21.089 4.609 -3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -19.203 3.139 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -20.105 4.320 -5.122 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.987 4.124 -3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -18.918 5.814 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.898 5.256 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.829 6.942 -7.060 1.00 0.00 H new ATOM 0 HZ PHE A 44 -14.816 6.670 -5.670 1.00 0.00 H new ATOM 646 N TYR A 45 -18.771 4.670 -0.923 1.00 0.00 N ATOM 647 CA TYR A 45 -18.197 4.025 0.246 1.00 0.00 C ATOM 648 C TYR A 45 -19.233 3.841 1.345 1.00 0.00 C ATOM 649 O TYR A 45 -19.633 4.807 1.996 1.00 0.00 O ATOM 650 CB TYR A 45 -17.018 4.836 0.783 1.00 0.00 C ATOM 651 CG TYR A 45 -15.679 4.149 0.630 1.00 0.00 C ATOM 652 CD1 TYR A 45 -14.998 4.165 -0.579 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.093 3.492 1.702 1.00 0.00 C ATOM 654 CE1 TYR A 45 -13.771 3.544 -0.715 1.00 0.00 C ATOM 655 CE2 TYR A 45 -13.865 2.872 1.576 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.208 2.900 0.366 1.00 0.00 C ATOM 657 OH TYR A 45 -11.976 2.293 0.240 1.00 0.00 O ATOM 0 H TYR A 45 -18.596 5.673 -0.985 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.846 3.041 -0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.984 5.795 0.266 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.187 5.049 1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.434 4.671 -1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.606 3.465 2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.256 3.563 -1.664 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.422 2.368 2.422 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.275 2.977 0.219 1.00 0.00 H new ATOM 667 N HIS A 46 -19.656 2.591 1.532 1.00 0.00 N ATOM 668 CA HIS A 46 -20.628 2.220 2.566 1.00 0.00 C ATOM 669 C HIS A 46 -22.024 2.751 2.247 1.00 0.00 C ATOM 670 O HIS A 46 -22.226 3.485 1.277 1.00 0.00 O ATOM 671 CB HIS A 46 -20.200 2.728 3.952 1.00 0.00 C ATOM 672 CG HIS A 46 -18.866 2.232 4.428 1.00 0.00 C ATOM 673 ND1 HIS A 46 -18.684 1.613 5.643 1.00 0.00 N ATOM 674 CD2 HIS A 46 -17.637 2.316 3.870 1.00 0.00 C ATOM 675 CE1 HIS A 46 -17.406 1.348 5.816 1.00 0.00 C ATOM 676 NE2 HIS A 46 -16.745 1.762 4.752 1.00 0.00 N ATOM 0 H HIS A 46 -19.334 1.803 0.970 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.660 1.131 2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -20.179 3.818 3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -20.959 2.437 4.679 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -19.426 1.393 6.308 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -17.401 2.742 2.906 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -16.972 0.872 6.683 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -15.738 1.683 4.609 1.00 0.00 H new ATOM 685 N ALA A 47 -22.988 2.356 3.068 1.00 0.00 N ATOM 686 CA ALA A 47 -24.366 2.798 2.910 1.00 0.00 C ATOM 687 C ALA A 47 -24.998 3.013 4.277 1.00 0.00 C ATOM 688 O ALA A 47 -25.006 4.124 4.804 1.00 0.00 O ATOM 689 CB ALA A 47 -25.165 1.790 2.100 1.00 0.00 C ATOM 0 H ALA A 47 -22.838 1.726 3.856 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.372 3.743 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.192 2.140 1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -24.716 1.679 1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -25.161 0.827 2.611 1.00 0.00 H new ATOM 695 N LEU A 48 -25.495 1.934 4.865 1.00 0.00 N ATOM 696 CA LEU A 48 -26.116 1.997 6.183 1.00 0.00 C ATOM 697 C LEU A 48 -25.043 2.007 7.264 1.00 0.00 C ATOM 698 O LEU A 48 -25.306 2.306 8.426 1.00 0.00 O ATOM 699 CB LEU A 48 -27.054 0.803 6.392 1.00 0.00 C ATOM 700 CG LEU A 48 -26.382 -0.572 6.325 1.00 0.00 C ATOM 701 CD1 LEU A 48 -26.995 -1.518 7.344 1.00 0.00 C ATOM 702 CD2 LEU A 48 -26.491 -1.158 4.923 1.00 0.00 C ATOM 0 H LEU A 48 -25.481 1.002 4.450 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.700 2.915 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.538 0.907 7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -27.841 0.843 5.638 1.00 0.00 H new ATOM 0 HG LEU A 48 -25.326 -0.445 6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -26.504 -2.489 7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -26.862 -1.109 8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.059 -1.635 7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -26.007 -2.134 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -27.542 -1.267 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.002 -0.493 4.212 1.00 0.00 H new ATOM 714 N ASP A 49 -23.828 1.692 6.849 1.00 0.00 N ATOM 715 CA ASP A 49 -22.680 1.630 7.738 1.00 0.00 C ATOM 716 C ASP A 49 -21.652 2.696 7.373 1.00 0.00 C ATOM 717 O ASP A 49 -20.452 2.514 7.585 1.00 0.00 O ATOM 718 CB ASP A 49 -22.041 0.241 7.642 1.00 0.00 C ATOM 719 CG ASP A 49 -21.453 -0.045 6.266 1.00 0.00 C ATOM 720 OD1 ASP A 49 -22.012 0.442 5.255 1.00 0.00 O ATOM 721 OD2 ASP A 49 -20.421 -0.748 6.193 1.00 0.00 O ATOM 0 H ASP A 49 -23.609 1.470 5.878 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.016 1.814 8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.255 0.155 8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.790 -0.515 7.876 1.00 0.00 H new ATOM 726 N SER A 50 -22.119 3.812 6.830 1.00 0.00 N ATOM 727 CA SER A 50 -21.223 4.892 6.429 1.00 0.00 C ATOM 728 C SER A 50 -20.541 5.527 7.636 1.00 0.00 C ATOM 729 O SER A 50 -19.393 5.969 7.546 1.00 0.00 O ATOM 730 CB SER A 50 -21.986 5.949 5.639 1.00 0.00 C ATOM 731 OG SER A 50 -22.682 5.359 4.557 1.00 0.00 O ATOM 0 H SER A 50 -23.108 3.994 6.657 1.00 0.00 H new ATOM 0 HA SER A 50 -20.449 4.463 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.690 6.462 6.294 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.292 6.702 5.265 1.00 0.00 H new ATOM 0 HG SER A 50 -23.597 5.146 4.834 1.00 0.00 H new ATOM 737 N GLU A 51 -21.241 5.550 8.765 1.00 0.00 N ATOM 738 CA GLU A 51 -20.697 6.121 9.992 1.00 0.00 C ATOM 739 C GLU A 51 -19.433 5.376 10.410 1.00 0.00 C ATOM 740 O GLU A 51 -18.512 5.962 10.978 1.00 0.00 O ATOM 741 CB GLU A 51 -21.736 6.056 11.107 1.00 0.00 C ATOM 742 CG GLU A 51 -21.496 7.056 12.223 1.00 0.00 C ATOM 743 CD GLU A 51 -21.502 8.489 11.730 1.00 0.00 C ATOM 744 OE1 GLU A 51 -22.545 8.940 11.208 1.00 0.00 O ATOM 745 OE2 GLU A 51 -20.467 9.173 11.865 1.00 0.00 O ATOM 0 H GLU A 51 -22.187 5.180 8.856 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.442 7.164 9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -22.724 6.230 10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -21.743 5.050 11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -22.264 6.935 12.986 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.538 6.843 12.698 1.00 0.00 H new ATOM 752 N ASN A 52 -19.393 4.086 10.095 1.00 0.00 N ATOM 753 CA ASN A 52 -18.248 3.248 10.425 1.00 0.00 C ATOM 754 C ASN A 52 -17.001 3.740 9.699 1.00 0.00 C ATOM 755 O ASN A 52 -15.909 3.768 10.267 1.00 0.00 O ATOM 756 CB ASN A 52 -18.529 1.789 10.051 1.00 0.00 C ATOM 757 CG ASN A 52 -17.303 0.907 10.202 1.00 0.00 C ATOM 758 OD1 ASN A 52 -16.585 0.648 9.234 1.00 0.00 O ATOM 759 ND2 ASN A 52 -17.053 0.448 11.417 1.00 0.00 N ATOM 0 H ASN A 52 -20.145 3.597 9.609 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.076 3.310 11.500 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.331 1.403 10.681 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.882 1.742 9.021 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.239 -0.145 11.581 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.674 0.687 12.190 1.00 0.00 H new ATOM 766 N MET A 53 -17.175 4.160 8.449 1.00 0.00 N ATOM 767 CA MET A 53 -16.060 4.653 7.652 1.00 0.00 C ATOM 768 C MET A 53 -15.545 5.961 8.230 1.00 0.00 C ATOM 769 O MET A 53 -14.338 6.165 8.354 1.00 0.00 O ATOM 770 CB MET A 53 -16.478 4.858 6.197 1.00 0.00 C ATOM 771 CG MET A 53 -15.305 5.042 5.248 1.00 0.00 C ATOM 772 SD MET A 53 -14.297 3.553 5.091 1.00 0.00 S ATOM 773 CE MET A 53 -12.917 3.948 6.164 1.00 0.00 C ATOM 0 H MET A 53 -18.075 4.168 7.969 1.00 0.00 H new ATOM 0 HA MET A 53 -15.265 3.908 7.680 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.066 4.000 5.872 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.127 5.732 6.134 1.00 0.00 H new ATOM 0 HG2 MET A 53 -15.679 5.328 4.265 1.00 0.00 H new ATOM 0 HG3 MET A 53 -14.681 5.863 5.602 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.983 3.834 5.613 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.010 4.977 6.512 1.00 0.00 H new ATOM 0 HE3 MET A 53 -12.918 3.274 7.021 1.00 0.00 H new ATOM 783 N THR A 54 -16.472 6.838 8.589 1.00 0.00 N ATOM 784 CA THR A 54 -16.129 8.122 9.170 1.00 0.00 C ATOM 785 C THR A 54 -15.418 7.929 10.511 1.00 0.00 C ATOM 786 O THR A 54 -14.427 8.598 10.804 1.00 0.00 O ATOM 787 CB THR A 54 -17.395 8.979 9.356 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.187 8.916 8.163 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.042 10.427 9.658 1.00 0.00 C ATOM 0 H THR A 54 -17.474 6.679 8.486 1.00 0.00 H new ATOM 0 HA THR A 54 -15.453 8.640 8.490 1.00 0.00 H new ATOM 0 HB THR A 54 -17.958 8.584 10.202 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.651 9.212 7.398 1.00 0.00 H new ATOM 0 HG21 THR A 54 -17.957 11.006 9.784 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.454 10.475 10.574 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.462 10.840 8.833 1.00 0.00 H new ATOM 797 N LYS A 55 -15.911 6.980 11.302 1.00 0.00 N ATOM 798 CA LYS A 55 -15.325 6.684 12.603 1.00 0.00 C ATOM 799 C LYS A 55 -13.905 6.158 12.443 1.00 0.00 C ATOM 800 O LYS A 55 -13.001 6.536 13.192 1.00 0.00 O ATOM 801 CB LYS A 55 -16.177 5.656 13.347 1.00 0.00 C ATOM 802 CG LYS A 55 -16.436 6.017 14.800 1.00 0.00 C ATOM 803 CD LYS A 55 -17.091 7.382 14.924 1.00 0.00 C ATOM 804 CE LYS A 55 -18.386 7.454 14.129 1.00 0.00 C ATOM 805 NZ LYS A 55 -18.874 8.847 13.991 1.00 0.00 N ATOM 0 H LYS A 55 -16.717 6.402 11.063 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.294 7.607 13.182 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.132 5.547 12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.680 4.687 13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.077 5.262 15.255 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.496 6.012 15.351 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.295 7.595 15.973 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.403 8.150 14.571 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.229 7.025 13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.148 6.850 14.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -19.232 8.995 13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -19.640 9.016 14.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.093 9.508 14.176 1.00 0.00 H new ATOM 819 N SER A 56 -13.713 5.284 11.468 1.00 0.00 N ATOM 820 CA SER A 56 -12.402 4.714 11.208 1.00 0.00 C ATOM 821 C SER A 56 -11.457 5.778 10.650 1.00 0.00 C ATOM 822 O SER A 56 -10.267 5.781 10.950 1.00 0.00 O ATOM 823 CB SER A 56 -12.522 3.537 10.238 1.00 0.00 C ATOM 824 OG SER A 56 -13.499 2.607 10.683 1.00 0.00 O ATOM 0 H SER A 56 -14.449 4.954 10.844 1.00 0.00 H new ATOM 0 HA SER A 56 -11.987 4.349 12.147 1.00 0.00 H new ATOM 0 HB2 SER A 56 -12.789 3.904 9.247 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.557 3.039 10.144 1.00 0.00 H new ATOM 0 HG SER A 56 -14.388 3.015 10.628 1.00 0.00 H new ATOM 830 N HIS A 57 -12.003 6.692 9.854 1.00 0.00 N ATOM 831 CA HIS A 57 -11.217 7.768 9.254 1.00 0.00 C ATOM 832 C HIS A 57 -10.743 8.750 10.320 1.00 0.00 C ATOM 833 O HIS A 57 -9.566 9.099 10.367 1.00 0.00 O ATOM 834 CB HIS A 57 -12.039 8.506 8.193 1.00 0.00 C ATOM 835 CG HIS A 57 -11.282 9.589 7.482 1.00 0.00 C ATOM 836 ND1 HIS A 57 -11.561 10.927 7.643 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.260 9.524 6.594 1.00 0.00 C ATOM 838 CE1 HIS A 57 -10.748 11.640 6.885 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.949 10.811 6.239 1.00 0.00 N ATOM 0 H HIS A 57 -12.993 6.710 9.608 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.344 7.323 8.777 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.398 7.785 7.459 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.918 8.942 8.667 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.780 8.626 6.234 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.738 12.717 6.807 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.218 11.084 5.582 1.00 0.00 H new ATOM 848 N GLN A 58 -11.668 9.185 11.172 1.00 0.00 N ATOM 849 CA GLN A 58 -11.356 10.129 12.243 1.00 0.00 C ATOM 850 C GLN A 58 -10.240 9.588 13.129 1.00 0.00 C ATOM 851 O GLN A 58 -9.296 10.303 13.469 1.00 0.00 O ATOM 852 CB GLN A 58 -12.605 10.396 13.085 1.00 0.00 C ATOM 853 CG GLN A 58 -12.454 11.558 14.053 1.00 0.00 C ATOM 854 CD GLN A 58 -13.197 11.334 15.354 1.00 0.00 C ATOM 855 OE1 GLN A 58 -12.647 10.785 16.309 1.00 0.00 O ATOM 856 NE2 GLN A 58 -14.451 11.752 15.402 1.00 0.00 N ATOM 0 H GLN A 58 -12.646 8.897 11.141 1.00 0.00 H new ATOM 0 HA GLN A 58 -11.020 11.063 11.792 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.445 10.596 12.419 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -12.852 9.496 13.648 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.396 11.714 14.265 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -12.822 12.469 13.581 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.870 12.202 14.588 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.999 11.624 16.253 1.00 0.00 H new ATOM 865 N ASN A 59 -10.357 8.317 13.486 1.00 0.00 N ATOM 866 CA ASN A 59 -9.369 7.658 14.329 1.00 0.00 C ATOM 867 C ASN A 59 -8.045 7.508 13.585 1.00 0.00 C ATOM 868 O ASN A 59 -6.981 7.809 14.122 1.00 0.00 O ATOM 869 CB ASN A 59 -9.891 6.285 14.765 1.00 0.00 C ATOM 870 CG ASN A 59 -8.956 5.565 15.720 1.00 0.00 C ATOM 871 OD1 ASN A 59 -8.200 6.189 16.463 1.00 0.00 O ATOM 872 ND2 ASN A 59 -9.011 4.243 15.721 1.00 0.00 N ATOM 0 H ASN A 59 -11.132 7.718 13.203 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.198 8.271 15.214 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.863 6.408 15.242 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.046 5.665 13.882 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.414 3.708 16.352 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.650 3.759 15.091 1.00 0.00 H new ATOM 879 N LEU A 60 -8.129 7.067 12.335 1.00 0.00 N ATOM 880 CA LEU A 60 -6.954 6.857 11.495 1.00 0.00 C ATOM 881 C LEU A 60 -6.141 8.138 11.319 1.00 0.00 C ATOM 882 O LEU A 60 -4.910 8.110 11.386 1.00 0.00 O ATOM 883 CB LEU A 60 -7.388 6.324 10.127 1.00 0.00 C ATOM 884 CG LEU A 60 -6.265 6.103 9.114 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.250 5.102 9.643 1.00 0.00 C ATOM 886 CD2 LEU A 60 -6.841 5.629 7.790 1.00 0.00 C ATOM 0 H LEU A 60 -9.012 6.845 11.875 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.315 6.128 11.993 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.910 5.379 10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.107 7.021 9.698 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.752 7.051 8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.460 4.960 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.818 5.478 10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.744 4.149 9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.032 5.475 7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.376 4.691 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.529 6.381 7.403 1.00 0.00 H new ATOM 898 N CYS A 61 -6.832 9.254 11.117 1.00 0.00 N ATOM 899 CA CYS A 61 -6.181 10.544 10.917 1.00 0.00 C ATOM 900 C CYS A 61 -5.372 10.983 12.135 1.00 0.00 C ATOM 901 O CYS A 61 -4.487 11.829 12.022 1.00 0.00 O ATOM 902 CB CYS A 61 -7.225 11.602 10.573 1.00 0.00 C ATOM 903 SG CYS A 61 -7.891 11.441 8.903 1.00 0.00 S ATOM 0 H CYS A 61 -7.851 9.291 11.087 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.480 10.431 10.090 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.044 11.539 11.290 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.779 12.590 10.684 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.784 10.496 8.881 1.00 0.00 H new ATOM 909 N THR A 62 -5.669 10.415 13.292 1.00 0.00 N ATOM 910 CA THR A 62 -4.953 10.766 14.505 1.00 0.00 C ATOM 911 C THR A 62 -4.294 9.532 15.120 1.00 0.00 C ATOM 912 O THR A 62 -4.125 9.436 16.337 1.00 0.00 O ATOM 913 CB THR A 62 -5.892 11.427 15.529 1.00 0.00 C ATOM 914 OG1 THR A 62 -6.945 12.119 14.842 1.00 0.00 O ATOM 915 CG2 THR A 62 -5.127 12.409 16.403 1.00 0.00 C ATOM 0 H THR A 62 -6.398 9.712 13.416 1.00 0.00 H new ATOM 0 HA THR A 62 -4.176 11.482 14.237 1.00 0.00 H new ATOM 0 HB THR A 62 -6.315 10.649 16.164 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.605 11.471 14.518 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.809 12.866 17.120 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.338 11.881 16.938 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.685 13.185 15.778 1.00 0.00 H new ATOM 923 N LYS A 63 -3.922 8.587 14.266 1.00 0.00 N ATOM 924 CA LYS A 63 -3.280 7.358 14.716 1.00 0.00 C ATOM 925 C LYS A 63 -2.230 6.888 13.722 1.00 0.00 C ATOM 926 O LYS A 63 -1.138 6.479 14.110 1.00 0.00 O ATOM 927 CB LYS A 63 -4.313 6.250 14.920 1.00 0.00 C ATOM 928 CG LYS A 63 -4.944 6.259 16.300 1.00 0.00 C ATOM 929 CD LYS A 63 -3.914 5.979 17.380 1.00 0.00 C ATOM 930 CE LYS A 63 -4.409 6.413 18.749 1.00 0.00 C ATOM 931 NZ LYS A 63 -4.652 7.878 18.813 1.00 0.00 N ATOM 0 H LYS A 63 -4.054 8.648 13.256 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.792 7.577 15.666 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.097 6.352 14.170 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.836 5.284 14.753 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.411 7.227 16.482 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.735 5.510 16.346 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.683 4.914 17.396 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.987 6.502 17.145 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.331 5.882 18.987 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.676 6.133 19.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.124 8.283 19.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.334 8.322 17.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.668 8.056 18.944 1.00 0.00 H new ATOM 945 N GLY A 64 -2.567 6.934 12.440 1.00 0.00 N ATOM 946 CA GLY A 64 -1.642 6.488 11.417 1.00 0.00 C ATOM 947 C GLY A 64 -1.806 5.010 11.138 1.00 0.00 C ATOM 948 O GLY A 64 -1.262 4.481 10.172 1.00 0.00 O ATOM 0 H GLY A 64 -3.464 7.272 12.090 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.808 7.054 10.501 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.619 6.689 11.735 1.00 0.00 H new ATOM 952 N GLN A 65 -2.576 4.354 11.992 1.00 0.00 N ATOM 953 CA GLN A 65 -2.842 2.930 11.876 1.00 0.00 C ATOM 954 C GLN A 65 -4.244 2.631 12.396 1.00 0.00 C ATOM 955 O GLN A 65 -4.552 2.893 13.561 1.00 0.00 O ATOM 956 CB GLN A 65 -1.790 2.134 12.662 1.00 0.00 C ATOM 957 CG GLN A 65 -2.139 0.668 12.877 1.00 0.00 C ATOM 958 CD GLN A 65 -1.890 -0.195 11.655 1.00 0.00 C ATOM 959 OE1 GLN A 65 -2.074 0.234 10.515 1.00 0.00 O ATOM 960 NE2 GLN A 65 -1.471 -1.428 11.887 1.00 0.00 N ATOM 0 H GLN A 65 -3.035 4.797 12.788 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.784 2.632 10.829 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.838 2.194 12.134 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.646 2.607 13.634 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.554 0.281 13.711 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.189 0.590 13.160 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.330 -1.747 12.846 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.289 -2.060 11.107 1.00 0.00 H new ATOM 969 N VAL A 66 -5.095 2.113 11.526 1.00 0.00 N ATOM 970 CA VAL A 66 -6.462 1.783 11.897 1.00 0.00 C ATOM 971 C VAL A 66 -6.831 0.405 11.360 1.00 0.00 C ATOM 972 O VAL A 66 -6.361 -0.002 10.293 1.00 0.00 O ATOM 973 CB VAL A 66 -7.466 2.852 11.384 1.00 0.00 C ATOM 974 CG1 VAL A 66 -7.896 2.580 9.949 1.00 0.00 C ATOM 975 CG2 VAL A 66 -8.676 2.939 12.301 1.00 0.00 C ATOM 0 H VAL A 66 -4.862 1.911 10.554 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.522 1.770 12.985 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.953 3.814 11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.598 3.349 9.627 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.021 2.592 9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.377 1.604 9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.366 3.694 11.923 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.178 1.972 12.333 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.353 3.214 13.305 1.00 0.00 H new ATOM 985 N VAL A 67 -7.653 -0.319 12.104 1.00 0.00 N ATOM 986 CA VAL A 67 -8.068 -1.650 11.698 1.00 0.00 C ATOM 987 C VAL A 67 -9.585 -1.733 11.612 1.00 0.00 C ATOM 988 O VAL A 67 -10.280 -1.743 12.632 1.00 0.00 O ATOM 989 CB VAL A 67 -7.554 -2.736 12.668 1.00 0.00 C ATOM 990 CG1 VAL A 67 -7.760 -4.122 12.075 1.00 0.00 C ATOM 991 CG2 VAL A 67 -6.089 -2.507 13.008 1.00 0.00 C ATOM 0 H VAL A 67 -8.045 -0.006 12.992 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.632 -1.833 10.716 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.129 -2.670 13.592 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.392 -4.875 12.772 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.822 -4.285 11.892 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.214 -4.200 11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.749 -3.284 13.693 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.494 -2.541 12.095 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.973 -1.531 13.480 1.00 0.00 H new ATOM 1001 N SER A 68 -10.092 -1.772 10.393 1.00 0.00 N ATOM 1002 CA SER A 68 -11.522 -1.863 10.166 1.00 0.00 C ATOM 1003 C SER A 68 -11.909 -3.305 9.862 1.00 0.00 C ATOM 1004 O SER A 68 -11.065 -4.111 9.461 1.00 0.00 O ATOM 1005 CB SER A 68 -11.928 -0.949 9.007 1.00 0.00 C ATOM 1006 OG SER A 68 -10.929 0.028 8.758 1.00 0.00 O ATOM 0 H SER A 68 -9.531 -1.742 9.542 1.00 0.00 H new ATOM 0 HA SER A 68 -12.046 -1.541 11.066 1.00 0.00 H new ATOM 0 HB2 SER A 68 -12.091 -1.545 8.109 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.873 -0.458 9.240 1.00 0.00 H new ATOM 0 HG SER A 68 -10.258 -0.339 8.145 1.00 0.00 H new ATOM 1012 N GLY A 69 -13.174 -3.631 10.064 1.00 0.00 N ATOM 1013 CA GLY A 69 -13.640 -4.972 9.796 1.00 0.00 C ATOM 1014 C GLY A 69 -14.229 -5.075 8.409 1.00 0.00 C ATOM 1015 O GLY A 69 -13.698 -4.495 7.461 1.00 0.00 O ATOM 0 H GLY A 69 -13.888 -2.989 10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.813 -5.675 9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.390 -5.254 10.535 1.00 0.00 H new ATOM 1019 N GLN A 70 -15.330 -5.795 8.287 1.00 0.00 N ATOM 1020 CA GLN A 70 -15.992 -5.957 7.005 1.00 0.00 C ATOM 1021 C GLN A 70 -17.093 -4.914 6.850 1.00 0.00 C ATOM 1022 O GLN A 70 -17.850 -4.650 7.788 1.00 0.00 O ATOM 1023 CB GLN A 70 -16.577 -7.362 6.875 1.00 0.00 C ATOM 1024 CG GLN A 70 -15.556 -8.472 7.045 1.00 0.00 C ATOM 1025 CD GLN A 70 -16.069 -9.801 6.537 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -16.719 -10.548 7.269 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -15.772 -10.112 5.284 1.00 0.00 N ATOM 0 H GLN A 70 -15.785 -6.278 9.062 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.255 -5.816 6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.363 -7.488 7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -17.046 -7.460 5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.643 -8.209 6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -15.294 -8.564 8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.231 -9.464 4.712 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.084 -11.000 4.891 1.00 0.00 H new ATOM 1036 N TYR A 71 -17.174 -4.315 5.676 1.00 0.00 N ATOM 1037 CA TYR A 71 -18.179 -3.300 5.412 1.00 0.00 C ATOM 1038 C TYR A 71 -18.842 -3.528 4.063 1.00 0.00 C ATOM 1039 O TYR A 71 -18.387 -4.351 3.271 1.00 0.00 O ATOM 1040 CB TYR A 71 -17.556 -1.903 5.468 1.00 0.00 C ATOM 1041 CG TYR A 71 -16.484 -1.635 4.429 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -16.819 -1.233 3.138 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -15.139 -1.758 4.747 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -15.844 -0.969 2.197 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -14.159 -1.490 3.813 1.00 0.00 C ATOM 1046 CZ TYR A 71 -14.516 -1.097 2.539 1.00 0.00 C ATOM 1047 OH TYR A 71 -13.541 -0.823 1.609 1.00 0.00 O ATOM 0 H TYR A 71 -16.556 -4.513 4.889 1.00 0.00 H new ATOM 0 HA TYR A 71 -18.944 -3.374 6.185 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -18.348 -1.164 5.349 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -17.126 -1.753 6.458 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -17.859 -1.126 2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -14.854 -2.068 5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.121 -0.664 1.199 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.117 -1.587 4.078 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.659 -1.007 1.995 1.00 0.00 H new ATOM 1057 N ARG A 72 -19.906 -2.783 3.804 1.00 0.00 N ATOM 1058 CA ARG A 72 -20.632 -2.908 2.551 1.00 0.00 C ATOM 1059 C ARG A 72 -20.246 -1.796 1.581 1.00 0.00 C ATOM 1060 O ARG A 72 -20.534 -0.625 1.815 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.138 -2.888 2.808 1.00 0.00 C ATOM 1062 CG ARG A 72 -22.756 -4.273 2.882 1.00 0.00 C ATOM 1063 CD ARG A 72 -24.143 -4.235 3.500 1.00 0.00 C ATOM 1064 NE ARG A 72 -24.091 -4.059 4.952 1.00 0.00 N ATOM 1065 CZ ARG A 72 -24.912 -4.667 5.809 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -25.858 -5.493 5.374 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -24.778 -4.455 7.108 1.00 0.00 N ATOM 0 H ARG A 72 -20.285 -2.086 4.445 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.364 -3.862 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -22.333 -2.361 3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -22.627 -2.322 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -22.815 -4.700 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -22.113 -4.928 3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -24.716 -3.421 3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -24.670 -5.160 3.265 1.00 0.00 H new ATOM 0 HE ARG A 72 -23.382 -3.432 5.332 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.962 -5.668 4.375 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -26.480 -5.952 6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -24.049 -3.829 7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -25.404 -4.918 7.767 1.00 0.00 H new ATOM 1081 N MET A 73 -19.573 -2.173 0.506 1.00 0.00 N ATOM 1082 CA MET A 73 -19.146 -1.226 -0.515 1.00 0.00 C ATOM 1083 C MET A 73 -20.148 -1.215 -1.666 1.00 0.00 C ATOM 1084 O MET A 73 -20.575 -2.274 -2.127 1.00 0.00 O ATOM 1085 CB MET A 73 -17.756 -1.611 -1.026 1.00 0.00 C ATOM 1086 CG MET A 73 -17.242 -0.730 -2.150 1.00 0.00 C ATOM 1087 SD MET A 73 -16.803 0.928 -1.595 1.00 0.00 S ATOM 1088 CE MET A 73 -16.027 1.566 -3.077 1.00 0.00 C ATOM 0 H MET A 73 -19.308 -3.139 0.316 1.00 0.00 H new ATOM 0 HA MET A 73 -19.100 -0.227 -0.082 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.051 -1.570 -0.195 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.781 -2.644 -1.372 1.00 0.00 H new ATOM 0 HG2 MET A 73 -16.369 -1.199 -2.603 1.00 0.00 H new ATOM 0 HG3 MET A 73 -18.004 -0.658 -2.926 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.437 2.448 -2.828 1.00 0.00 H new ATOM 0 HE2 MET A 73 -15.376 0.803 -3.504 1.00 0.00 H new ATOM 0 HE3 MET A 73 -16.795 1.836 -3.802 1.00 0.00 H new ATOM 1098 N LEU A 74 -20.520 -0.027 -2.127 1.00 0.00 N ATOM 1099 CA LEU A 74 -21.482 0.100 -3.214 1.00 0.00 C ATOM 1100 C LEU A 74 -20.823 -0.167 -4.563 1.00 0.00 C ATOM 1101 O LEU A 74 -19.909 0.545 -4.977 1.00 0.00 O ATOM 1102 CB LEU A 74 -22.123 1.492 -3.210 1.00 0.00 C ATOM 1103 CG LEU A 74 -23.109 1.756 -4.352 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -24.370 0.920 -4.181 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -23.452 3.237 -4.425 1.00 0.00 C ATOM 0 H LEU A 74 -20.171 0.861 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 74 -22.261 -0.646 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -22.642 1.633 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.331 2.240 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 74 -22.635 1.465 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -25.056 1.124 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -24.108 -0.138 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -24.850 1.175 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.154 3.408 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.905 3.552 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -22.543 3.813 -4.601 1.00 0.00 H new ATOM 1117 N ALA A 75 -21.290 -1.208 -5.234 1.00 0.00 N ATOM 1118 CA ALA A 75 -20.773 -1.575 -6.540 1.00 0.00 C ATOM 1119 C ALA A 75 -21.492 -0.780 -7.624 1.00 0.00 C ATOM 1120 O ALA A 75 -22.570 -0.232 -7.382 1.00 0.00 O ATOM 1121 CB ALA A 75 -20.935 -3.068 -6.768 1.00 0.00 C ATOM 0 H ALA A 75 -22.032 -1.817 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 75 -19.710 -1.338 -6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -20.544 -3.331 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -20.387 -3.615 -6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -21.991 -3.331 -6.716 1.00 0.00 H new ATOM 1127 N LYS A 76 -20.923 -0.745 -8.823 1.00 0.00 N ATOM 1128 CA LYS A 76 -21.509 0.010 -9.929 1.00 0.00 C ATOM 1129 C LYS A 76 -22.688 -0.730 -10.564 1.00 0.00 C ATOM 1130 O LYS A 76 -22.725 -0.933 -11.776 1.00 0.00 O ATOM 1131 CB LYS A 76 -20.452 0.306 -10.993 1.00 0.00 C ATOM 1132 CG LYS A 76 -20.671 1.632 -11.705 1.00 0.00 C ATOM 1133 CD LYS A 76 -19.810 1.752 -12.952 1.00 0.00 C ATOM 1134 CE LYS A 76 -20.567 1.319 -14.198 1.00 0.00 C ATOM 1135 NZ LYS A 76 -21.768 2.162 -14.441 1.00 0.00 N ATOM 0 H LYS A 76 -20.056 -1.230 -9.056 1.00 0.00 H new ATOM 0 HA LYS A 76 -21.883 0.947 -9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -19.467 0.311 -10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -20.452 -0.498 -11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -21.722 1.729 -11.978 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -20.442 2.452 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.478 2.784 -13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.915 1.140 -12.838 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.905 1.374 -15.062 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.870 0.277 -14.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.997 2.155 -15.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -22.573 1.783 -13.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.575 3.137 -14.136 1.00 0.00 H new ATOM 1149 N HIS A 77 -23.642 -1.135 -9.737 1.00 0.00 N ATOM 1150 CA HIS A 77 -24.837 -1.834 -10.207 1.00 0.00 C ATOM 1151 C HIS A 77 -25.843 -1.970 -9.072 1.00 0.00 C ATOM 1152 O HIS A 77 -26.677 -2.872 -9.069 1.00 0.00 O ATOM 1153 CB HIS A 77 -24.499 -3.218 -10.801 1.00 0.00 C ATOM 1154 CG HIS A 77 -23.796 -4.166 -9.870 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -24.459 -4.994 -8.989 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -22.478 -4.438 -9.714 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -23.580 -5.734 -8.338 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -22.370 -5.417 -8.758 1.00 0.00 N ATOM 0 H HIS A 77 -23.613 -0.991 -8.728 1.00 0.00 H new ATOM 0 HA HIS A 77 -25.278 -1.239 -11.007 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -25.424 -3.686 -11.138 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -23.876 -3.073 -11.683 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -21.662 -3.970 -10.245 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -23.813 -6.475 -7.587 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -21.499 -5.831 -8.427 1.00 0.00 H new ATOM 1167 N GLY A 78 -25.761 -1.055 -8.112 1.00 0.00 N ATOM 1168 CA GLY A 78 -26.661 -1.088 -6.974 1.00 0.00 C ATOM 1169 C GLY A 78 -26.418 -2.287 -6.079 1.00 0.00 C ATOM 1170 O GLY A 78 -27.339 -2.789 -5.439 1.00 0.00 O ATOM 0 H GLY A 78 -25.086 -0.290 -8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.541 -0.174 -6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -27.691 -1.106 -7.330 1.00 0.00 H new ATOM 1174 N GLY A 79 -25.176 -2.747 -6.039 1.00 0.00 N ATOM 1175 CA GLY A 79 -24.835 -3.890 -5.217 1.00 0.00 C ATOM 1176 C GLY A 79 -23.971 -3.495 -4.042 1.00 0.00 C ATOM 1177 O GLY A 79 -23.401 -2.406 -4.032 1.00 0.00 O ATOM 0 H GLY A 79 -24.397 -2.348 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.748 -4.363 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.311 -4.630 -5.822 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.866 -4.373 -3.059 1.00 0.00 N ATOM 1182 CA TYR A 80 -23.066 -4.100 -1.875 1.00 0.00 C ATOM 1183 C TYR A 80 -22.102 -5.244 -1.601 1.00 0.00 C ATOM 1184 O TYR A 80 -22.495 -6.300 -1.113 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.967 -3.865 -0.662 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.761 -2.583 -0.749 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -24.138 -1.351 -0.612 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -26.128 -2.606 -0.983 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -24.858 -0.177 -0.702 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -26.855 -1.435 -1.077 1.00 0.00 C ATOM 1191 CZ TYR A 80 -26.214 -0.224 -0.935 1.00 0.00 C ATOM 1192 OH TYR A 80 -26.933 0.945 -1.028 1.00 0.00 O ATOM 0 H TYR A 80 -24.326 -5.284 -3.057 1.00 0.00 H new ATOM 0 HA TYR A 80 -22.485 -3.196 -2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.655 -4.704 -0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.354 -3.845 0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -23.074 -1.310 -0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.632 -3.555 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.360 0.775 -0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.919 -1.469 -1.261 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.876 0.737 -1.196 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.840 -5.020 -1.917 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.806 -6.023 -1.718 1.00 0.00 C ATOM 1204 C VAL A 81 -19.193 -5.878 -0.332 1.00 0.00 C ATOM 1205 O VAL A 81 -18.891 -4.767 0.100 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.683 -5.903 -2.774 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -18.163 -7.277 -3.166 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -19.159 -5.135 -4.000 1.00 0.00 C ATOM 0 H VAL A 81 -20.503 -4.144 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.279 -7.000 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.863 -5.342 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.374 -7.169 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.765 -7.780 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.977 -7.868 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -18.347 -5.067 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -20.004 -5.656 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.466 -4.132 -3.704 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.037 -6.987 0.370 1.00 0.00 N ATOM 1219 CA TRP A 82 -18.442 -6.964 1.697 1.00 0.00 C ATOM 1220 C TRP A 82 -16.921 -6.991 1.588 1.00 0.00 C ATOM 1221 O TRP A 82 -16.342 -7.967 1.104 1.00 0.00 O ATOM 1222 CB TRP A 82 -18.936 -8.144 2.533 1.00 0.00 C ATOM 1223 CG TRP A 82 -20.270 -7.913 3.179 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -21.501 -8.053 2.603 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -20.505 -7.504 4.530 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -22.483 -7.760 3.519 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -21.896 -7.418 4.706 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -19.673 -7.201 5.608 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -22.472 -7.042 5.917 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -20.244 -6.829 6.810 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -21.632 -6.751 6.956 1.00 0.00 C ATOM 0 H TRP A 82 -19.313 -7.914 0.045 1.00 0.00 H new ATOM 0 HA TRP A 82 -18.745 -6.043 2.196 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -18.999 -9.027 1.897 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -18.201 -8.361 3.308 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -21.676 -8.350 1.580 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -23.487 -7.792 3.342 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -18.599 -7.256 5.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -23.544 -6.982 6.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -19.607 -6.595 7.650 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -22.049 -6.455 7.907 1.00 0.00 H new ATOM 1242 N LEU A 83 -16.283 -5.911 2.023 1.00 0.00 N ATOM 1243 CA LEU A 83 -14.829 -5.798 1.961 1.00 0.00 C ATOM 1244 C LEU A 83 -14.248 -5.389 3.307 1.00 0.00 C ATOM 1245 O LEU A 83 -14.963 -4.903 4.184 1.00 0.00 O ATOM 1246 CB LEU A 83 -14.408 -4.759 0.915 1.00 0.00 C ATOM 1247 CG LEU A 83 -14.426 -5.228 -0.539 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -15.780 -4.969 -1.173 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -13.332 -4.532 -1.330 1.00 0.00 C ATOM 0 H LEU A 83 -16.751 -5.098 2.424 1.00 0.00 H new ATOM 0 HA LEU A 83 -14.445 -6.780 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.066 -3.894 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.400 -4.419 1.154 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.242 -6.302 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.769 -5.311 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.549 -5.509 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.996 -3.901 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.356 -4.875 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.492 -3.454 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.362 -4.766 -0.893 1.00 0.00 H new ATOM 1261 N GLU A 84 -12.947 -5.586 3.449 1.00 0.00 N ATOM 1262 CA GLU A 84 -12.222 -5.222 4.657 1.00 0.00 C ATOM 1263 C GLU A 84 -11.105 -4.261 4.269 1.00 0.00 C ATOM 1264 O GLU A 84 -10.525 -4.394 3.195 1.00 0.00 O ATOM 1265 CB GLU A 84 -11.632 -6.462 5.339 1.00 0.00 C ATOM 1266 CG GLU A 84 -12.633 -7.586 5.561 1.00 0.00 C ATOM 1267 CD GLU A 84 -12.662 -8.584 4.419 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -11.588 -9.115 4.070 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -13.755 -8.846 3.874 1.00 0.00 O ATOM 0 H GLU A 84 -12.361 -6.005 2.727 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.905 -4.750 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.808 -6.839 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.212 -6.169 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.387 -8.107 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.628 -7.160 5.690 1.00 0.00 H new ATOM 1276 N THR A 85 -10.798 -3.289 5.111 1.00 0.00 N ATOM 1277 CA THR A 85 -9.750 -2.335 4.770 1.00 0.00 C ATOM 1278 C THR A 85 -8.897 -1.934 5.974 1.00 0.00 C ATOM 1279 O THR A 85 -9.413 -1.568 7.032 1.00 0.00 O ATOM 1280 CB THR A 85 -10.348 -1.069 4.121 1.00 0.00 C ATOM 1281 OG1 THR A 85 -11.228 -1.438 3.052 1.00 0.00 O ATOM 1282 CG2 THR A 85 -9.253 -0.161 3.580 1.00 0.00 C ATOM 0 H THR A 85 -11.245 -3.139 6.015 1.00 0.00 H new ATOM 0 HA THR A 85 -9.100 -2.843 4.058 1.00 0.00 H new ATOM 0 HB THR A 85 -10.903 -0.527 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.736 -1.971 2.393 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.703 0.723 3.128 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.596 0.143 4.395 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.674 -0.697 2.828 1.00 0.00 H new ATOM 1290 N GLN A 86 -7.587 -2.028 5.793 1.00 0.00 N ATOM 1291 CA GLN A 86 -6.623 -1.650 6.816 1.00 0.00 C ATOM 1292 C GLN A 86 -6.091 -0.259 6.490 1.00 0.00 C ATOM 1293 O GLN A 86 -5.728 0.013 5.346 1.00 0.00 O ATOM 1294 CB GLN A 86 -5.473 -2.663 6.865 1.00 0.00 C ATOM 1295 CG GLN A 86 -4.348 -2.274 7.814 1.00 0.00 C ATOM 1296 CD GLN A 86 -4.554 -2.797 9.221 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.135 -3.862 9.425 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -4.072 -2.055 10.203 1.00 0.00 N ATOM 0 H GLN A 86 -7.162 -2.369 4.931 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.105 -1.641 7.793 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.869 -3.633 7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.064 -2.782 5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.404 -2.655 7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.265 -1.188 7.844 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.596 -1.178 9.993 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.176 -2.360 11.171 1.00 0.00 H new ATOM 1307 N GLY A 87 -6.049 0.618 7.476 1.00 0.00 N ATOM 1308 CA GLY A 87 -5.578 1.963 7.230 1.00 0.00 C ATOM 1309 C GLY A 87 -4.187 2.213 7.767 1.00 0.00 C ATOM 1310 O GLY A 87 -3.945 2.080 8.966 1.00 0.00 O ATOM 0 H GLY A 87 -6.330 0.426 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.586 2.154 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.269 2.672 7.685 1.00 0.00 H new ATOM 1314 N THR A 88 -3.276 2.565 6.877 1.00 0.00 N ATOM 1315 CA THR A 88 -1.905 2.861 7.251 1.00 0.00 C ATOM 1316 C THR A 88 -1.497 4.216 6.674 1.00 0.00 C ATOM 1317 O THR A 88 -1.301 4.364 5.468 1.00 0.00 O ATOM 1318 CB THR A 88 -0.938 1.765 6.760 1.00 0.00 C ATOM 1319 OG1 THR A 88 -1.425 0.475 7.161 1.00 0.00 O ATOM 1320 CG2 THR A 88 0.463 1.978 7.319 1.00 0.00 C ATOM 0 H THR A 88 -3.465 2.653 5.879 1.00 0.00 H new ATOM 0 HA THR A 88 -1.848 2.893 8.339 1.00 0.00 H new ATOM 0 HB THR A 88 -0.885 1.819 5.673 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.809 -0.219 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.123 1.190 6.956 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.841 2.947 6.994 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.428 1.949 8.408 1.00 0.00 H new ATOM 1328 N VAL A 89 -1.387 5.202 7.544 1.00 0.00 N ATOM 1329 CA VAL A 89 -1.030 6.549 7.135 1.00 0.00 C ATOM 1330 C VAL A 89 0.482 6.719 7.068 1.00 0.00 C ATOM 1331 O VAL A 89 1.202 6.349 7.997 1.00 0.00 O ATOM 1332 CB VAL A 89 -1.614 7.599 8.106 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -1.168 9.000 7.725 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -3.131 7.513 8.144 1.00 0.00 C ATOM 0 H VAL A 89 -1.541 5.095 8.547 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.453 6.705 6.142 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.233 7.382 9.104 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.593 9.720 8.424 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.080 9.058 7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.510 9.229 6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.521 8.261 8.834 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.531 7.696 7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.431 6.520 8.479 1.00 0.00 H new ATOM 1344 N ILE A 90 0.960 7.268 5.961 1.00 0.00 N ATOM 1345 CA ILE A 90 2.380 7.506 5.796 1.00 0.00 C ATOM 1346 C ILE A 90 2.673 8.988 6.041 1.00 0.00 C ATOM 1347 O ILE A 90 2.070 9.869 5.419 1.00 0.00 O ATOM 1348 CB ILE A 90 2.897 7.050 4.402 1.00 0.00 C ATOM 1349 CG1 ILE A 90 4.424 7.111 4.357 1.00 0.00 C ATOM 1350 CG2 ILE A 90 2.295 7.879 3.277 1.00 0.00 C ATOM 1351 CD1 ILE A 90 5.093 5.993 5.126 1.00 0.00 C ATOM 0 H ILE A 90 0.385 7.555 5.169 1.00 0.00 H new ATOM 0 HA ILE A 90 2.917 6.904 6.529 1.00 0.00 H new ATOM 0 HB ILE A 90 2.579 6.018 4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.751 7.074 3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.754 8.068 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.682 7.529 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.210 7.776 3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.562 8.927 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.175 6.097 5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.794 6.042 6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.792 5.033 4.708 1.00 0.00 H new ATOM 1363 N TYR A 91 3.552 9.261 6.991 1.00 0.00 N ATOM 1364 CA TYR A 91 3.906 10.628 7.331 1.00 0.00 C ATOM 1365 C TYR A 91 5.147 11.066 6.571 1.00 0.00 C ATOM 1366 O TYR A 91 6.167 10.376 6.575 1.00 0.00 O ATOM 1367 CB TYR A 91 4.123 10.763 8.842 1.00 0.00 C ATOM 1368 CG TYR A 91 2.865 10.538 9.650 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.987 11.583 9.898 1.00 0.00 C ATOM 1370 CD2 TYR A 91 2.550 9.283 10.157 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.831 11.387 10.626 1.00 0.00 C ATOM 1372 CE2 TYR A 91 1.395 9.079 10.889 1.00 0.00 C ATOM 1373 CZ TYR A 91 0.539 10.134 11.119 1.00 0.00 C ATOM 1374 OH TYR A 91 -0.614 9.935 11.841 1.00 0.00 O ATOM 0 H TYR A 91 4.035 8.551 7.542 1.00 0.00 H new ATOM 0 HA TYR A 91 3.082 11.280 7.041 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.882 10.048 9.158 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.512 11.758 9.059 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.212 12.567 9.515 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.218 8.454 9.976 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.158 12.212 10.808 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.165 8.098 11.278 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.671 8.996 12.115 1.00 0.00 H new ATOM 1384 N ASN A 92 5.045 12.209 5.916 1.00 0.00 N ATOM 1385 CA ASN A 92 6.148 12.751 5.137 1.00 0.00 C ATOM 1386 C ASN A 92 7.136 13.475 6.050 1.00 0.00 C ATOM 1387 O ASN A 92 6.751 14.374 6.797 1.00 0.00 O ATOM 1388 CB ASN A 92 5.602 13.701 4.069 1.00 0.00 C ATOM 1389 CG ASN A 92 6.681 14.259 3.168 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.182 15.356 3.398 1.00 0.00 O ATOM 1391 ND2 ASN A 92 7.051 13.508 2.145 1.00 0.00 N ATOM 0 H ASN A 92 4.203 12.785 5.908 1.00 0.00 H new ATOM 0 HA ASN A 92 6.677 11.935 4.645 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.867 13.173 3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.081 14.525 4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.779 13.834 1.510 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.608 12.602 1.991 1.00 0.00 H new ATOM 1398 N PRO A 93 8.425 13.105 5.989 1.00 0.00 N ATOM 1399 CA PRO A 93 9.474 13.699 6.836 1.00 0.00 C ATOM 1400 C PRO A 93 9.808 15.149 6.478 1.00 0.00 C ATOM 1401 O PRO A 93 10.575 15.809 7.179 1.00 0.00 O ATOM 1402 CB PRO A 93 10.687 12.802 6.575 1.00 0.00 C ATOM 1403 CG PRO A 93 10.456 12.238 5.217 1.00 0.00 C ATOM 1404 CD PRO A 93 8.968 12.066 5.089 1.00 0.00 C ATOM 0 HA PRO A 93 9.156 13.743 7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.616 13.371 6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.764 12.013 7.323 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.839 12.906 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.971 11.285 5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.634 12.210 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.651 11.068 5.391 1.00 0.00 H new ATOM 1412 N ARG A 94 9.232 15.644 5.397 1.00 0.00 N ATOM 1413 CA ARG A 94 9.491 17.011 4.958 1.00 0.00 C ATOM 1414 C ARG A 94 8.362 17.941 5.377 1.00 0.00 C ATOM 1415 O ARG A 94 8.589 19.117 5.656 1.00 0.00 O ATOM 1416 CB ARG A 94 9.667 17.044 3.443 1.00 0.00 C ATOM 1417 CG ARG A 94 10.530 15.909 2.933 1.00 0.00 C ATOM 1418 CD ARG A 94 10.336 15.663 1.447 1.00 0.00 C ATOM 1419 NE ARG A 94 10.876 14.364 1.053 1.00 0.00 N ATOM 1420 CZ ARG A 94 12.165 14.042 1.141 1.00 0.00 C ATOM 1421 NH1 ARG A 94 13.067 14.964 1.447 1.00 0.00 N ATOM 1422 NH2 ARG A 94 12.557 12.804 0.888 1.00 0.00 N ATOM 0 H ARG A 94 8.583 15.125 4.806 1.00 0.00 H new ATOM 0 HA ARG A 94 10.408 17.358 5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.688 16.994 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.115 17.995 3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.578 16.136 3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.293 14.999 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.274 15.708 1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.827 16.452 0.878 1.00 0.00 H new ATOM 0 HE ARG A 94 10.229 13.664 0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.775 15.927 1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.053 14.711 1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.872 12.096 0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.545 12.558 0.956 1.00 0.00 H new ATOM 1436 N ASN A 95 7.148 17.410 5.420 1.00 0.00 N ATOM 1437 CA ASN A 95 5.984 18.201 5.805 1.00 0.00 C ATOM 1438 C ASN A 95 5.619 17.946 7.262 1.00 0.00 C ATOM 1439 O ASN A 95 4.930 18.751 7.887 1.00 0.00 O ATOM 1440 CB ASN A 95 4.791 17.864 4.907 1.00 0.00 C ATOM 1441 CG ASN A 95 3.833 19.033 4.739 1.00 0.00 C ATOM 1442 OD1 ASN A 95 2.915 19.201 5.679 1.00 0.00 O flip ATOM 1443 ND2 ASN A 95 3.916 19.778 3.764 1.00 0.00 N flip ATOM 0 H ASN A 95 6.942 16.437 5.194 1.00 0.00 H new ATOM 0 HA ASN A 95 6.235 19.255 5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.155 17.555 3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.252 17.016 5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.636 19.618 3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.265 20.556 3.660 1.00 0.00 H new ATOM 1450 N LEU A 96 6.087 16.812 7.790 1.00 0.00 N ATOM 1451 CA LEU A 96 5.821 16.414 9.175 1.00 0.00 C ATOM 1452 C LEU A 96 4.330 16.151 9.374 1.00 0.00 C ATOM 1453 O LEU A 96 3.797 16.286 10.476 1.00 0.00 O ATOM 1454 CB LEU A 96 6.323 17.472 10.173 1.00 0.00 C ATOM 1455 CG LEU A 96 7.846 17.544 10.365 1.00 0.00 C ATOM 1456 CD1 LEU A 96 8.462 16.154 10.370 1.00 0.00 C ATOM 1457 CD2 LEU A 96 8.491 18.410 9.294 1.00 0.00 C ATOM 0 H LEU A 96 6.659 16.146 7.271 1.00 0.00 H new ATOM 0 HA LEU A 96 6.370 15.493 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.971 18.450 9.844 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.863 17.277 11.142 1.00 0.00 H new ATOM 0 HG LEU A 96 8.036 18.004 11.335 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.540 16.234 10.507 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.035 15.570 11.185 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.253 15.660 9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.569 18.444 9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.283 17.988 8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.084 19.420 9.349 1.00 0.00 H new ATOM 1469 N GLN A 97 3.673 15.760 8.290 1.00 0.00 N ATOM 1470 CA GLN A 97 2.244 15.475 8.303 1.00 0.00 C ATOM 1471 C GLN A 97 1.939 14.306 7.367 1.00 0.00 C ATOM 1472 O GLN A 97 2.800 13.906 6.577 1.00 0.00 O ATOM 1473 CB GLN A 97 1.454 16.717 7.868 1.00 0.00 C ATOM 1474 CG GLN A 97 1.307 17.772 8.952 1.00 0.00 C ATOM 1475 CD GLN A 97 0.461 17.298 10.118 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -0.762 17.458 10.123 1.00 0.00 O ATOM 1477 NE2 GLN A 97 1.101 16.709 11.114 1.00 0.00 N ATOM 0 H GLN A 97 4.114 15.632 7.379 1.00 0.00 H new ATOM 0 HA GLN A 97 1.946 15.206 9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.948 17.164 7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.461 16.407 7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.295 18.053 9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.858 18.668 8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.114 16.595 11.073 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.582 16.368 11.923 1.00 0.00 H new ATOM 1486 N PRO A 98 0.726 13.723 7.458 1.00 0.00 N ATOM 1487 CA PRO A 98 0.320 12.607 6.596 1.00 0.00 C ATOM 1488 C PRO A 98 0.355 12.987 5.118 1.00 0.00 C ATOM 1489 O PRO A 98 -0.362 13.890 4.682 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.121 12.306 7.033 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.569 13.514 7.781 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.336 14.088 8.412 1.00 0.00 C ATOM 0 HA PRO A 98 0.990 11.753 6.697 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.761 12.118 6.171 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.163 11.417 7.662 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.038 14.236 7.112 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.309 13.253 8.537 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.412 15.168 8.537 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.154 13.665 9.400 1.00 0.00 H new ATOM 1500 N GLN A 99 1.188 12.296 4.354 1.00 0.00 N ATOM 1501 CA GLN A 99 1.319 12.573 2.931 1.00 0.00 C ATOM 1502 C GLN A 99 0.253 11.828 2.134 1.00 0.00 C ATOM 1503 O GLN A 99 -0.406 12.407 1.269 1.00 0.00 O ATOM 1504 CB GLN A 99 2.717 12.186 2.439 1.00 0.00 C ATOM 1505 CG GLN A 99 3.059 12.734 1.060 1.00 0.00 C ATOM 1506 CD GLN A 99 3.481 14.197 1.076 1.00 0.00 C ATOM 1507 OE1 GLN A 99 4.286 14.633 0.250 1.00 0.00 O ATOM 1508 NE2 GLN A 99 2.941 14.973 2.003 1.00 0.00 N ATOM 0 H GLN A 99 1.783 11.540 4.695 1.00 0.00 H new ATOM 0 HA GLN A 99 1.177 13.643 2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.456 12.545 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.796 11.099 2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.863 12.137 0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.193 12.621 0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.278 14.582 2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.188 15.962 2.048 1.00 0.00 H new ATOM 1517 N CYS A 100 0.082 10.549 2.438 1.00 0.00 N ATOM 1518 CA CYS A 100 -0.901 9.722 1.750 1.00 0.00 C ATOM 1519 C CYS A 100 -1.508 8.704 2.709 1.00 0.00 C ATOM 1520 O CYS A 100 -0.854 8.267 3.660 1.00 0.00 O ATOM 1521 CB CYS A 100 -0.256 8.988 0.566 1.00 0.00 C ATOM 1522 SG CYS A 100 0.487 10.071 -0.678 1.00 0.00 S ATOM 0 H CYS A 100 0.613 10.060 3.159 1.00 0.00 H new ATOM 0 HA CYS A 100 -1.689 10.376 1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 100 0.512 8.315 0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -1.012 8.368 0.084 1.00 0.00 H new ATOM 0 HG CYS A 100 0.201 11.309 -0.402 1.00 0.00 H new ATOM 1528 N ILE A 101 -2.760 8.343 2.473 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.435 7.363 3.305 1.00 0.00 C ATOM 1530 C ILE A 101 -3.472 6.020 2.585 1.00 0.00 C ATOM 1531 O ILE A 101 -4.344 5.775 1.744 1.00 0.00 O ATOM 1532 CB ILE A 101 -4.877 7.794 3.662 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.920 9.261 4.106 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -5.450 6.894 4.746 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -4.039 9.574 5.297 1.00 0.00 C ATOM 0 H ILE A 101 -3.328 8.715 1.712 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.873 7.280 4.235 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.490 7.694 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.619 9.891 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -5.949 9.525 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.465 7.212 4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.467 5.863 4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.830 6.961 5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.127 10.631 5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.353 8.972 6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.002 9.344 5.053 1.00 0.00 H new ATOM 1547 N MET A 102 -2.505 5.169 2.893 1.00 0.00 N ATOM 1548 CA MET A 102 -2.418 3.852 2.279 1.00 0.00 C ATOM 1549 C MET A 102 -3.463 2.928 2.887 1.00 0.00 C ATOM 1550 O MET A 102 -3.440 2.652 4.085 1.00 0.00 O ATOM 1551 CB MET A 102 -1.015 3.266 2.465 1.00 0.00 C ATOM 1552 CG MET A 102 -0.785 1.970 1.704 1.00 0.00 C ATOM 1553 SD MET A 102 0.854 1.275 1.999 1.00 0.00 S ATOM 1554 CE MET A 102 0.633 0.564 3.629 1.00 0.00 C ATOM 0 H MET A 102 -1.766 5.368 3.568 1.00 0.00 H new ATOM 0 HA MET A 102 -2.610 3.948 1.210 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.278 4.002 2.142 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.844 3.088 3.527 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.542 1.242 1.996 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.912 2.152 0.637 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.215 -0.354 3.708 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.971 1.274 4.384 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.422 0.339 3.788 1.00 0.00 H new ATOM 1564 N CYS A 103 -4.388 2.466 2.065 1.00 0.00 N ATOM 1565 CA CYS A 103 -5.441 1.589 2.535 1.00 0.00 C ATOM 1566 C CYS A 103 -5.314 0.196 1.932 1.00 0.00 C ATOM 1567 O CYS A 103 -5.358 0.022 0.711 1.00 0.00 O ATOM 1568 CB CYS A 103 -6.806 2.191 2.200 1.00 0.00 C ATOM 1569 SG CYS A 103 -6.949 3.944 2.621 1.00 0.00 S ATOM 0 H CYS A 103 -4.430 2.684 1.070 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.346 1.492 3.616 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.997 2.065 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.579 1.635 2.730 1.00 0.00 H new ATOM 0 HG CYS A 103 -5.886 4.575 2.218 1.00 0.00 H new ATOM 1575 N VAL A 104 -5.126 -0.783 2.802 1.00 0.00 N ATOM 1576 CA VAL A 104 -5.018 -2.173 2.398 1.00 0.00 C ATOM 1577 C VAL A 104 -6.421 -2.747 2.262 1.00 0.00 C ATOM 1578 O VAL A 104 -7.123 -2.920 3.258 1.00 0.00 O ATOM 1579 CB VAL A 104 -4.213 -2.993 3.429 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -4.263 -4.479 3.108 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -2.772 -2.504 3.488 1.00 0.00 C ATOM 0 H VAL A 104 -5.044 -0.635 3.808 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.490 -2.228 1.446 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.670 -2.848 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.687 -5.031 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.298 -4.820 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.839 -4.652 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.218 -3.092 4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.310 -2.615 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.756 -1.454 3.780 1.00 0.00 H new ATOM 1591 N ASN A 105 -6.833 -3.030 1.041 1.00 0.00 N ATOM 1592 CA ASN A 105 -8.173 -3.539 0.806 1.00 0.00 C ATOM 1593 C ASN A 105 -8.190 -5.052 0.624 1.00 0.00 C ATOM 1594 O ASN A 105 -7.465 -5.607 -0.206 1.00 0.00 O ATOM 1595 CB ASN A 105 -8.788 -2.848 -0.411 1.00 0.00 C ATOM 1596 CG ASN A 105 -10.181 -2.318 -0.128 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -10.933 -2.900 0.649 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -10.530 -1.200 -0.749 1.00 0.00 N ATOM 0 H ASN A 105 -6.265 -2.918 0.201 1.00 0.00 H new ATOM 0 HA ASN A 105 -8.770 -3.316 1.690 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.145 -2.025 -0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.831 -3.551 -1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.452 -0.794 -0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.877 -0.746 -1.387 1.00 0.00 H new ATOM 1605 N TYR A 106 -9.020 -5.706 1.421 1.00 0.00 N ATOM 1606 CA TYR A 106 -9.186 -7.150 1.381 1.00 0.00 C ATOM 1607 C TYR A 106 -10.634 -7.473 1.049 1.00 0.00 C ATOM 1608 O TYR A 106 -11.535 -6.715 1.406 1.00 0.00 O ATOM 1609 CB TYR A 106 -8.823 -7.775 2.730 1.00 0.00 C ATOM 1610 CG TYR A 106 -7.338 -7.871 2.995 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -6.461 -8.284 2.004 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -6.817 -7.560 4.243 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -5.105 -8.384 2.246 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -5.461 -7.660 4.495 1.00 0.00 C ATOM 1615 CZ TYR A 106 -4.611 -8.073 3.492 1.00 0.00 C ATOM 1616 OH TYR A 106 -3.261 -8.180 3.735 1.00 0.00 O ATOM 0 H TYR A 106 -9.603 -5.245 2.120 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.523 -7.561 0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.284 -7.188 3.524 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.254 -8.775 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -6.845 -8.532 1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.481 -7.235 5.030 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -4.436 -8.705 1.461 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.070 -7.416 5.472 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.116 -8.696 4.556 1.00 0.00 H new ATOM 1626 N VAL A 107 -10.866 -8.577 0.359 1.00 0.00 N ATOM 1627 CA VAL A 107 -12.223 -8.964 -0.002 1.00 0.00 C ATOM 1628 C VAL A 107 -12.494 -10.410 0.391 1.00 0.00 C ATOM 1629 O VAL A 107 -12.374 -11.314 -0.437 1.00 0.00 O ATOM 1630 CB VAL A 107 -12.492 -8.805 -1.516 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -13.966 -8.531 -1.769 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -11.631 -7.703 -2.116 1.00 0.00 C ATOM 0 H VAL A 107 -10.140 -9.218 0.039 1.00 0.00 H new ATOM 0 HA VAL A 107 -12.890 -8.296 0.543 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.224 -9.741 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.137 -8.422 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.561 -9.362 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -14.258 -7.613 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.843 -7.615 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.855 -6.757 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -10.578 -7.946 -1.974 1.00 0.00 H new ATOM 1642 N LEU A 108 -12.845 -10.627 1.653 1.00 0.00 N ATOM 1643 CA LEU A 108 -13.132 -11.970 2.146 1.00 0.00 C ATOM 1644 C LEU A 108 -14.491 -12.443 1.646 1.00 0.00 C ATOM 1645 O LEU A 108 -14.635 -13.570 1.167 1.00 0.00 O ATOM 1646 CB LEU A 108 -13.099 -11.996 3.681 1.00 0.00 C ATOM 1647 CG LEU A 108 -13.009 -13.385 4.325 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -12.281 -13.303 5.656 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -14.395 -13.984 4.525 1.00 0.00 C ATOM 0 H LEU A 108 -12.938 -9.891 2.354 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.365 -12.645 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.247 -11.405 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.996 -11.502 4.053 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.448 -14.034 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.225 -14.296 6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.273 -12.919 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.822 -12.635 6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.303 -14.969 4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.982 -13.335 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -14.894 -14.078 3.560 1.00 0.00 H new ATOM 1661 N SER A 109 -15.485 -11.577 1.750 1.00 0.00 N ATOM 1662 CA SER A 109 -16.830 -11.912 1.318 1.00 0.00 C ATOM 1663 C SER A 109 -17.081 -11.429 -0.109 1.00 0.00 C ATOM 1664 O SER A 109 -16.143 -11.060 -0.822 1.00 0.00 O ATOM 1665 CB SER A 109 -17.849 -11.309 2.285 1.00 0.00 C ATOM 1666 OG SER A 109 -17.583 -11.714 3.619 1.00 0.00 O ATOM 0 H SER A 109 -15.385 -10.636 2.130 1.00 0.00 H new ATOM 0 HA SER A 109 -16.940 -12.996 1.323 1.00 0.00 H new ATOM 0 HB2 SER A 109 -17.820 -10.221 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 109 -18.854 -11.619 2.000 1.00 0.00 H new ATOM 0 HG SER A 109 -18.246 -11.315 4.220 1.00 0.00 H new ATOM 1672 N GLU A 110 -18.343 -11.448 -0.526 1.00 0.00 N ATOM 1673 CA GLU A 110 -18.722 -11.025 -1.869 1.00 0.00 C ATOM 1674 C GLU A 110 -19.889 -10.045 -1.809 1.00 0.00 C ATOM 1675 O GLU A 110 -20.100 -9.381 -0.791 1.00 0.00 O ATOM 1676 CB GLU A 110 -19.111 -12.244 -2.711 1.00 0.00 C ATOM 1677 CG GLU A 110 -18.012 -13.286 -2.823 1.00 0.00 C ATOM 1678 CD GLU A 110 -17.006 -12.965 -3.909 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -16.525 -11.816 -3.970 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -16.693 -13.864 -4.714 1.00 0.00 O ATOM 0 H GLU A 110 -19.126 -11.754 0.052 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.869 -10.527 -2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -19.996 -12.708 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.386 -11.910 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.495 -13.366 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -18.460 -14.259 -3.025 1.00 0.00 H new ATOM 1687 N ILE A 111 -20.645 -9.955 -2.897 1.00 0.00 N ATOM 1688 CA ILE A 111 -21.794 -9.062 -2.958 1.00 0.00 C ATOM 1689 C ILE A 111 -22.940 -9.606 -2.115 1.00 0.00 C ATOM 1690 O ILE A 111 -23.168 -10.816 -2.064 1.00 0.00 O ATOM 1691 CB ILE A 111 -22.291 -8.849 -4.403 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -22.340 -10.179 -5.157 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.404 -7.848 -5.127 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -23.070 -10.100 -6.479 1.00 0.00 C ATOM 0 H ILE A 111 -20.482 -10.491 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 111 -21.464 -8.101 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 111 -23.302 -8.444 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -21.321 -10.524 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -22.825 -10.926 -4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.768 -7.709 -6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -21.427 -6.894 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -20.381 -8.223 -5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.064 -11.080 -6.957 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -24.100 -9.786 -6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -22.573 -9.378 -7.127 1.00 0.00 H new ATOM 1706 N GLU A 112 -23.639 -8.708 -1.447 1.00 0.00 N ATOM 1707 CA GLU A 112 -24.763 -9.073 -0.602 1.00 0.00 C ATOM 1708 C GLU A 112 -26.038 -9.159 -1.433 1.00 0.00 C ATOM 1709 O GLU A 112 -26.419 -8.139 -2.045 1.00 0.00 O ATOM 1710 CB GLU A 112 -24.920 -8.046 0.526 1.00 0.00 C ATOM 1711 CG GLU A 112 -26.052 -8.353 1.494 1.00 0.00 C ATOM 1712 CD GLU A 112 -25.932 -7.574 2.786 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -25.193 -8.025 3.683 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -26.571 -6.504 2.911 1.00 0.00 O ATOM 1715 OXT GLU A 112 -26.649 -10.246 -1.485 1.00 0.00 O ATOM 0 H GLU A 112 -23.445 -7.707 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 112 -24.576 -10.051 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -23.985 -7.989 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -25.089 -7.063 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -27.005 -8.120 1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -26.058 -9.420 1.715 1.00 0.00 H new ATOM 1723 N CYS B 7 5.240 16.998 -9.136 1.00 1.33 N ATOM 1724 CA CYS B 7 6.002 16.802 -7.884 1.00 1.38 C ATOM 1725 C CYS B 7 5.388 15.673 -7.069 1.00 1.15 C ATOM 1726 O CYS B 7 4.273 15.793 -6.565 1.00 1.28 O ATOM 1727 CB CYS B 7 6.020 18.095 -7.065 1.00 1.79 C ATOM 1728 SG CYS B 7 6.752 19.506 -7.929 1.00 2.58 S ATOM 0 HA CYS B 7 7.028 16.536 -8.137 1.00 1.38 H new ATOM 0 HB2 CYS B 7 4.998 18.347 -6.781 1.00 1.79 H new ATOM 0 HB3 CYS B 7 6.574 17.920 -6.142 1.00 1.79 H new ATOM 0 HG CYS B 7 6.720 20.552 -7.157 1.00 2.58 H new ATOM 1736 N GLN B 8 6.112 14.574 -6.950 1.00 0.90 N ATOM 1737 CA GLN B 8 5.631 13.427 -6.201 1.00 0.76 C ATOM 1738 C GLN B 8 6.505 13.187 -4.979 1.00 0.65 C ATOM 1739 O GLN B 8 7.710 13.435 -5.014 1.00 0.64 O ATOM 1740 CB GLN B 8 5.603 12.181 -7.087 1.00 0.71 C ATOM 1741 CG GLN B 8 4.363 12.083 -7.963 1.00 0.89 C ATOM 1742 CD GLN B 8 3.083 11.950 -7.155 1.00 1.17 C ATOM 1743 OE1 GLN B 8 2.646 10.844 -6.833 1.00 1.79 O ATOM 1744 NE2 GLN B 8 2.477 13.076 -6.817 1.00 1.90 N ATOM 0 H GLN B 8 7.037 14.452 -7.363 1.00 0.90 H new ATOM 0 HA GLN B 8 4.615 13.636 -5.867 1.00 0.76 H new ATOM 0 HB2 GLN B 8 6.488 12.178 -7.723 1.00 0.71 H new ATOM 0 HB3 GLN B 8 5.662 11.295 -6.455 1.00 0.71 H new ATOM 0 HG2 GLN B 8 4.299 12.969 -8.595 1.00 0.89 H new ATOM 0 HG3 GLN B 8 4.459 11.224 -8.627 1.00 0.89 H new ATOM 0 HE21 GLN B 8 2.870 13.973 -7.103 1.00 1.90 H new ATOM 0 HE22 GLN B 8 1.616 13.048 -6.270 1.00 1.90 H new ATOM 1753 N PRO B 9 5.899 12.746 -3.871 1.00 0.64 N ATOM 1754 CA PRO B 9 6.622 12.464 -2.627 1.00 0.56 C ATOM 1755 C PRO B 9 7.590 11.297 -2.781 1.00 0.44 C ATOM 1756 O PRO B 9 7.473 10.503 -3.715 1.00 0.38 O ATOM 1757 CB PRO B 9 5.513 12.103 -1.628 1.00 0.61 C ATOM 1758 CG PRO B 9 4.243 12.572 -2.255 1.00 0.75 C ATOM 1759 CD PRO B 9 4.459 12.494 -3.734 1.00 0.77 C ATOM 0 HA PRO B 9 7.231 13.312 -2.313 1.00 0.56 H new ATOM 0 HB2 PRO B 9 5.486 11.029 -1.443 1.00 0.61 H new ATOM 0 HB3 PRO B 9 5.678 12.588 -0.666 1.00 0.61 H new ATOM 0 HG2 PRO B 9 3.403 11.947 -1.950 1.00 0.75 H new ATOM 0 HG3 PRO B 9 4.010 13.592 -1.948 1.00 0.75 H new ATOM 0 HD2 PRO B 9 4.180 11.518 -4.132 1.00 0.77 H new ATOM 0 HD3 PRO B 9 3.867 13.237 -4.268 1.00 0.77 H new ATOM 1767 N THR B 10 8.542 11.200 -1.866 1.00 0.43 N ATOM 1768 CA THR B 10 9.519 10.126 -1.896 1.00 0.37 C ATOM 1769 C THR B 10 8.855 8.793 -1.574 1.00 0.31 C ATOM 1770 O THR B 10 9.181 7.762 -2.159 1.00 0.39 O ATOM 1771 CB THR B 10 10.653 10.387 -0.890 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.261 11.414 0.040 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.928 10.803 -1.609 1.00 0.62 C ATOM 0 H THR B 10 8.658 11.854 -1.092 1.00 0.43 H new ATOM 0 HA THR B 10 9.940 10.087 -2.901 1.00 0.37 H new ATOM 0 HB THR B 10 10.847 9.463 -0.346 1.00 0.46 H new ATOM 0 HG1 THR B 10 9.535 11.081 0.608 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.716 10.982 -0.878 1.00 0.62 H new ATOM 0 HG22 THR B 10 12.238 10.009 -2.289 1.00 0.62 H new ATOM 0 HG23 THR B 10 11.745 11.716 -2.176 1.00 0.62 H new ATOM 1781 N GLU B 11 7.921 8.838 -0.640 1.00 0.30 N ATOM 1782 CA GLU B 11 7.185 7.661 -0.206 1.00 0.31 C ATOM 1783 C GLU B 11 6.375 7.072 -1.357 1.00 0.27 C ATOM 1784 O GLU B 11 5.343 7.624 -1.747 1.00 0.31 O ATOM 1785 CB GLU B 11 6.249 8.020 0.957 1.00 0.45 C ATOM 1786 CG GLU B 11 6.903 8.855 2.054 1.00 1.13 C ATOM 1787 CD GLU B 11 6.952 10.338 1.728 1.00 1.36 C ATOM 1788 OE1 GLU B 11 5.978 11.050 2.035 1.00 1.83 O ATOM 1789 OE2 GLU B 11 7.968 10.795 1.157 1.00 1.65 O ATOM 0 H GLU B 11 7.650 9.695 -0.159 1.00 0.30 H new ATOM 0 HA GLU B 11 7.905 6.915 0.129 1.00 0.31 H new ATOM 0 HB2 GLU B 11 5.392 8.566 0.563 1.00 0.45 H new ATOM 0 HB3 GLU B 11 5.866 7.099 1.397 1.00 0.45 H new ATOM 0 HG2 GLU B 11 6.355 8.712 2.986 1.00 1.13 H new ATOM 0 HG3 GLU B 11 7.917 8.493 2.222 1.00 1.13 H new ATOM 1796 N PHE B 12 6.840 5.956 -1.902 1.00 0.30 N ATOM 1797 CA PHE B 12 6.144 5.314 -3.006 1.00 0.30 C ATOM 1798 C PHE B 12 5.755 3.882 -2.654 1.00 0.27 C ATOM 1799 O PHE B 12 6.415 3.224 -1.843 1.00 0.33 O ATOM 1800 CB PHE B 12 6.992 5.354 -4.288 1.00 0.35 C ATOM 1801 CG PHE B 12 8.039 4.278 -4.401 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.250 4.396 -3.740 1.00 0.39 C ATOM 1803 CD2 PHE B 12 7.816 3.160 -5.188 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.218 3.417 -3.857 1.00 0.42 C ATOM 1805 CE2 PHE B 12 8.782 2.180 -5.312 1.00 0.45 C ATOM 1806 CZ PHE B 12 9.984 2.308 -4.644 1.00 0.40 C ATOM 0 H PHE B 12 7.690 5.480 -1.600 1.00 0.30 H new ATOM 0 HA PHE B 12 5.226 5.872 -3.191 1.00 0.30 H new ATOM 0 HB2 PHE B 12 6.325 5.281 -5.147 1.00 0.35 H new ATOM 0 HB3 PHE B 12 7.484 6.325 -4.348 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.440 5.264 -3.126 1.00 0.39 H new ATOM 0 HD2 PHE B 12 6.877 3.053 -5.710 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.157 3.520 -3.333 1.00 0.42 H new ATOM 0 HE2 PHE B 12 8.597 1.314 -5.931 1.00 0.45 H new ATOM 0 HZ PHE B 12 10.739 1.542 -4.737 1.00 0.40 H new ATOM 1816 N ILE B 13 4.673 3.415 -3.264 1.00 0.27 N ATOM 1817 CA ILE B 13 4.171 2.068 -3.032 1.00 0.27 C ATOM 1818 C ILE B 13 5.020 1.042 -3.774 1.00 0.29 C ATOM 1819 O ILE B 13 5.091 1.050 -5.001 1.00 0.35 O ATOM 1820 CB ILE B 13 2.698 1.935 -3.482 1.00 0.36 C ATOM 1821 CG1 ILE B 13 1.808 2.909 -2.699 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.208 0.504 -3.308 1.00 0.85 C ATOM 1823 CD1 ILE B 13 1.873 2.729 -1.196 1.00 1.40 C ATOM 0 H ILE B 13 4.122 3.956 -3.930 1.00 0.27 H new ATOM 0 HA ILE B 13 4.230 1.878 -1.960 1.00 0.27 H new ATOM 0 HB ILE B 13 2.639 2.188 -4.541 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.099 3.930 -2.946 1.00 0.98 H new ATOM 0 HG13 ILE B 13 0.776 2.785 -3.025 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.169 0.433 -3.631 1.00 0.85 H new ATOM 0 HG22 ILE B 13 2.821 -0.166 -3.910 1.00 0.85 H new ATOM 0 HG23 ILE B 13 2.282 0.219 -2.258 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.217 3.454 -0.714 1.00 1.40 H new ATOM 0 HD12 ILE B 13 1.552 1.720 -0.936 1.00 1.40 H new ATOM 0 HD13 ILE B 13 2.897 2.883 -0.855 1.00 1.40 H new ATOM 1835 N SER B 14 5.678 0.177 -3.023 1.00 0.34 N ATOM 1836 CA SER B 14 6.517 -0.855 -3.605 1.00 0.42 C ATOM 1837 C SER B 14 5.970 -2.242 -3.273 1.00 0.35 C ATOM 1838 O SER B 14 6.197 -2.766 -2.183 1.00 0.40 O ATOM 1839 CB SER B 14 7.945 -0.707 -3.080 1.00 0.54 C ATOM 1840 OG SER B 14 8.162 0.604 -2.578 1.00 1.47 O ATOM 0 H SER B 14 5.647 0.169 -2.004 1.00 0.34 H new ATOM 0 HA SER B 14 6.519 -0.742 -4.689 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.126 -1.438 -2.292 1.00 0.54 H new ATOM 0 HB3 SER B 14 8.655 -0.918 -3.879 1.00 0.54 H new ATOM 0 HG SER B 14 8.507 1.176 -3.295 1.00 1.47 H new ATOM 1846 N ARG B 15 5.232 -2.822 -4.208 1.00 0.31 N ATOM 1847 CA ARG B 15 4.654 -4.146 -4.017 1.00 0.31 C ATOM 1848 C ARG B 15 5.608 -5.201 -4.559 1.00 0.27 C ATOM 1849 O ARG B 15 5.887 -5.236 -5.756 1.00 0.29 O ATOM 1850 CB ARG B 15 3.296 -4.245 -4.723 1.00 0.42 C ATOM 1851 CG ARG B 15 2.321 -3.144 -4.329 1.00 0.54 C ATOM 1852 CD ARG B 15 1.330 -2.846 -5.445 1.00 0.90 C ATOM 1853 NE ARG B 15 0.159 -3.722 -5.403 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.981 -3.477 -6.058 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -1.096 -2.402 -6.828 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -2.005 -4.309 -5.939 1.00 2.69 N ATOM 0 H ARG B 15 5.018 -2.396 -5.110 1.00 0.31 H new ATOM 0 HA ARG B 15 4.499 -4.316 -2.952 1.00 0.31 H new ATOM 0 HB2 ARG B 15 3.453 -4.210 -5.801 1.00 0.42 H new ATOM 0 HB3 ARG B 15 2.848 -5.213 -4.497 1.00 0.42 H new ATOM 0 HG2 ARG B 15 1.780 -3.441 -3.431 1.00 0.54 H new ATOM 0 HG3 ARG B 15 2.875 -2.238 -4.082 1.00 0.54 H new ATOM 0 HD2 ARG B 15 1.006 -1.808 -5.371 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.828 -2.957 -6.408 1.00 0.90 H new ATOM 0 HE ARG B 15 0.215 -4.571 -4.840 1.00 1.40 H new ATOM 0 HH11 ARG B 15 -0.312 -1.757 -6.923 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -1.968 -2.221 -7.325 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -1.924 -5.136 -5.348 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -2.875 -4.122 -6.438 1.00 2.69 H new ATOM 1870 N HIS B 16 6.116 -6.047 -3.678 1.00 0.28 N ATOM 1871 CA HIS B 16 7.054 -7.090 -4.076 1.00 0.28 C ATOM 1872 C HIS B 16 6.684 -8.416 -3.431 1.00 0.32 C ATOM 1873 O HIS B 16 5.986 -8.440 -2.425 1.00 0.40 O ATOM 1874 CB HIS B 16 8.485 -6.703 -3.679 1.00 0.32 C ATOM 1875 CG HIS B 16 8.685 -6.536 -2.201 1.00 0.36 C ATOM 1876 ND1 HIS B 16 8.871 -7.594 -1.338 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.720 -5.421 -1.436 1.00 0.75 C ATOM 1878 CE1 HIS B 16 9.010 -7.139 -0.109 1.00 0.46 C ATOM 1879 NE2 HIS B 16 8.922 -5.822 -0.138 1.00 0.61 N ATOM 0 H HIS B 16 5.896 -6.034 -2.682 1.00 0.28 H new ATOM 0 HA HIS B 16 7.002 -7.198 -5.159 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.171 -7.467 -4.044 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.750 -5.771 -4.179 1.00 0.32 H new ATOM 0 HD1 HIS B 16 8.897 -8.577 -1.609 1.00 0.54 H new ATOM 0 HD2 HIS B 16 8.610 -4.404 -1.782 1.00 0.75 H new ATOM 0 HE1 HIS B 16 9.169 -7.742 0.773 1.00 0.46 H new ATOM 1888 N ASN B 17 7.167 -9.513 -3.996 1.00 0.31 N ATOM 1889 CA ASN B 17 6.879 -10.834 -3.450 1.00 0.39 C ATOM 1890 C ASN B 17 7.778 -11.115 -2.245 1.00 0.35 C ATOM 1891 O ASN B 17 8.610 -10.276 -1.878 1.00 0.32 O ATOM 1892 CB ASN B 17 7.025 -11.922 -4.529 1.00 0.49 C ATOM 1893 CG ASN B 17 8.441 -12.449 -4.702 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.420 -11.718 -4.565 1.00 2.04 O ATOM 1895 ND2 ASN B 17 8.557 -13.735 -4.993 1.00 0.59 N ATOM 0 H ASN B 17 7.757 -9.517 -4.828 1.00 0.31 H new ATOM 0 HA ASN B 17 5.843 -10.852 -3.112 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.368 -12.755 -4.279 1.00 0.49 H new ATOM 0 HB3 ASN B 17 6.681 -11.520 -5.482 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.481 -14.150 -5.111 1.00 0.59 H new ATOM 0 HD22 ASN B 17 7.722 -14.311 -5.099 1.00 0.59 H new ATOM 1902 N ILE B 18 7.615 -12.286 -1.639 1.00 0.40 N ATOM 1903 CA ILE B 18 8.396 -12.667 -0.458 1.00 0.45 C ATOM 1904 C ILE B 18 9.904 -12.706 -0.729 1.00 0.44 C ATOM 1905 O ILE B 18 10.704 -12.472 0.176 1.00 0.52 O ATOM 1906 CB ILE B 18 7.947 -14.035 0.100 1.00 0.53 C ATOM 1907 CG1 ILE B 18 8.061 -15.121 -0.975 1.00 0.59 C ATOM 1908 CG2 ILE B 18 6.521 -13.943 0.627 1.00 0.57 C ATOM 1909 CD1 ILE B 18 7.723 -16.511 -0.480 1.00 0.70 C ATOM 0 H ILE B 18 6.947 -12.994 -1.945 1.00 0.40 H new ATOM 0 HA ILE B 18 8.205 -11.890 0.282 1.00 0.45 H new ATOM 0 HB ILE B 18 8.604 -14.309 0.925 1.00 0.53 H new ATOM 0 HG12 ILE B 18 7.398 -14.870 -1.803 1.00 0.59 H new ATOM 0 HG13 ILE B 18 9.077 -15.123 -1.369 1.00 0.59 H new ATOM 0 HG21 ILE B 18 6.214 -14.913 1.018 1.00 0.57 H new ATOM 0 HG22 ILE B 18 6.474 -13.200 1.423 1.00 0.57 H new ATOM 0 HG23 ILE B 18 5.852 -13.650 -0.182 1.00 0.57 H new ATOM 0 HD11 ILE B 18 7.827 -17.224 -1.298 1.00 0.70 H new ATOM 0 HD12 ILE B 18 8.402 -16.784 0.328 1.00 0.70 H new ATOM 0 HD13 ILE B 18 6.697 -16.527 -0.113 1.00 0.70 H new ATOM 1921 N GLU B 19 10.287 -12.986 -1.972 1.00 0.41 N ATOM 1922 CA GLU B 19 11.702 -13.059 -2.341 1.00 0.45 C ATOM 1923 C GLU B 19 12.294 -11.667 -2.543 1.00 0.41 C ATOM 1924 O GLU B 19 13.512 -11.501 -2.607 1.00 0.51 O ATOM 1925 CB GLU B 19 11.881 -13.877 -3.620 1.00 0.50 C ATOM 1926 CG GLU B 19 11.298 -15.273 -3.539 1.00 0.65 C ATOM 1927 CD GLU B 19 11.360 -15.993 -4.866 1.00 1.21 C ATOM 1928 OE1 GLU B 19 10.591 -15.632 -5.781 1.00 1.92 O ATOM 1929 OE2 GLU B 19 12.181 -16.923 -5.006 1.00 1.28 O ATOM 0 H GLU B 19 9.641 -13.166 -2.740 1.00 0.41 H new ATOM 0 HA GLU B 19 12.229 -13.547 -1.521 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.413 -13.345 -4.449 1.00 0.50 H new ATOM 0 HB3 GLU B 19 12.944 -13.950 -3.848 1.00 0.50 H new ATOM 0 HG2 GLU B 19 11.840 -15.849 -2.789 1.00 0.65 H new ATOM 0 HG3 GLU B 19 10.261 -15.214 -3.207 1.00 0.65 H new ATOM 1936 N GLY B 20 11.432 -10.672 -2.666 1.00 0.33 N ATOM 1937 CA GLY B 20 11.896 -9.314 -2.853 1.00 0.32 C ATOM 1938 C GLY B 20 11.693 -8.823 -4.271 1.00 0.29 C ATOM 1939 O GLY B 20 11.991 -7.669 -4.576 1.00 0.34 O ATOM 0 H GLY B 20 10.418 -10.780 -2.640 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.368 -8.655 -2.164 1.00 0.32 H new ATOM 0 HA3 GLY B 20 12.955 -9.257 -2.600 1.00 0.32 H new ATOM 1943 N ILE B 21 11.185 -9.702 -5.129 1.00 0.27 N ATOM 1944 CA ILE B 21 10.929 -9.367 -6.526 1.00 0.28 C ATOM 1945 C ILE B 21 9.752 -8.407 -6.615 1.00 0.27 C ATOM 1946 O ILE B 21 8.645 -8.735 -6.188 1.00 0.31 O ATOM 1947 CB ILE B 21 10.621 -10.630 -7.366 1.00 0.32 C ATOM 1948 CG1 ILE B 21 11.792 -11.616 -7.310 1.00 0.37 C ATOM 1949 CG2 ILE B 21 10.309 -10.259 -8.809 1.00 0.41 C ATOM 1950 CD1 ILE B 21 13.049 -11.118 -7.993 1.00 0.47 C ATOM 0 H ILE B 21 10.941 -10.660 -4.878 1.00 0.27 H new ATOM 0 HA ILE B 21 11.828 -8.899 -6.928 1.00 0.28 H new ATOM 0 HB ILE B 21 9.742 -11.112 -6.939 1.00 0.32 H new ATOM 0 HG12 ILE B 21 12.020 -11.835 -6.267 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.486 -12.554 -7.773 1.00 0.37 H new ATOM 0 HG21 ILE B 21 10.096 -11.163 -9.379 1.00 0.41 H new ATOM 0 HG22 ILE B 21 9.441 -9.600 -8.836 1.00 0.41 H new ATOM 0 HG23 ILE B 21 11.166 -9.748 -9.247 1.00 0.41 H new ATOM 0 HD11 ILE B 21 13.831 -11.872 -7.910 1.00 0.47 H new ATOM 0 HD12 ILE B 21 12.840 -10.927 -9.045 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.382 -10.196 -7.516 1.00 0.47 H new ATOM 1962 N PHE B 22 9.997 -7.219 -7.145 1.00 0.25 N ATOM 1963 CA PHE B 22 8.952 -6.214 -7.272 1.00 0.27 C ATOM 1964 C PHE B 22 7.900 -6.625 -8.295 1.00 0.28 C ATOM 1965 O PHE B 22 8.186 -6.761 -9.489 1.00 0.35 O ATOM 1966 CB PHE B 22 9.551 -4.858 -7.643 1.00 0.31 C ATOM 1967 CG PHE B 22 10.345 -4.236 -6.531 1.00 0.33 C ATOM 1968 CD1 PHE B 22 9.728 -3.435 -5.585 1.00 0.36 C ATOM 1969 CD2 PHE B 22 11.709 -4.454 -6.433 1.00 0.38 C ATOM 1970 CE1 PHE B 22 10.459 -2.862 -4.561 1.00 0.44 C ATOM 1971 CE2 PHE B 22 12.445 -3.884 -5.413 1.00 0.45 C ATOM 1972 CZ PHE B 22 11.818 -3.086 -4.476 1.00 0.46 C ATOM 0 H PHE B 22 10.910 -6.927 -7.494 1.00 0.25 H new ATOM 0 HA PHE B 22 8.460 -6.129 -6.303 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.193 -4.979 -8.515 1.00 0.31 H new ATOM 0 HB3 PHE B 22 8.747 -4.180 -7.930 1.00 0.31 H new ATOM 0 HD1 PHE B 22 8.665 -3.256 -5.648 1.00 0.36 H new ATOM 0 HD2 PHE B 22 12.203 -5.077 -7.163 1.00 0.38 H new ATOM 0 HE1 PHE B 22 9.967 -2.240 -3.828 1.00 0.44 H new ATOM 0 HE2 PHE B 22 13.508 -4.062 -5.348 1.00 0.45 H new ATOM 0 HZ PHE B 22 12.391 -2.638 -3.678 1.00 0.46 H new ATOM 1982 N THR B 23 6.689 -6.836 -7.807 1.00 0.27 N ATOM 1983 CA THR B 23 5.569 -7.218 -8.643 1.00 0.30 C ATOM 1984 C THR B 23 4.965 -5.981 -9.305 1.00 0.27 C ATOM 1985 O THR B 23 4.542 -6.021 -10.462 1.00 0.33 O ATOM 1986 CB THR B 23 4.494 -7.934 -7.807 1.00 0.42 C ATOM 1987 OG1 THR B 23 5.110 -8.622 -6.706 1.00 1.35 O ATOM 1988 CG2 THR B 23 3.716 -8.924 -8.657 1.00 1.14 C ATOM 0 H THR B 23 6.457 -6.746 -6.818 1.00 0.27 H new ATOM 0 HA THR B 23 5.929 -7.900 -9.413 1.00 0.30 H new ATOM 0 HB THR B 23 3.800 -7.184 -7.427 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.421 -9.075 -6.176 1.00 1.35 H new ATOM 0 HG21 THR B 23 2.962 -9.417 -8.043 1.00 1.14 H new ATOM 0 HG22 THR B 23 3.228 -8.396 -9.476 1.00 1.14 H new ATOM 0 HG23 THR B 23 4.399 -9.671 -9.063 1.00 1.14 H new ATOM 1996 N PHE B 24 4.941 -4.878 -8.563 1.00 0.25 N ATOM 1997 CA PHE B 24 4.403 -3.620 -9.065 1.00 0.28 C ATOM 1998 C PHE B 24 4.886 -2.458 -8.206 1.00 0.26 C ATOM 1999 O PHE B 24 4.787 -2.496 -6.979 1.00 0.27 O ATOM 2000 CB PHE B 24 2.870 -3.648 -9.094 1.00 0.36 C ATOM 2001 CG PHE B 24 2.252 -2.344 -9.530 1.00 0.46 C ATOM 2002 CD1 PHE B 24 2.445 -1.863 -10.816 1.00 0.59 C ATOM 2003 CD2 PHE B 24 1.483 -1.600 -8.651 1.00 0.51 C ATOM 2004 CE1 PHE B 24 1.884 -0.663 -11.213 1.00 0.71 C ATOM 2005 CE2 PHE B 24 0.918 -0.400 -9.043 1.00 0.61 C ATOM 2006 CZ PHE B 24 1.119 0.068 -10.326 1.00 0.70 C ATOM 0 H PHE B 24 5.291 -4.831 -7.606 1.00 0.25 H new ATOM 0 HA PHE B 24 4.763 -3.484 -10.085 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.542 -4.439 -9.768 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.500 -3.902 -8.100 1.00 0.36 H new ATOM 0 HD1 PHE B 24 3.040 -2.432 -11.515 1.00 0.59 H new ATOM 0 HD2 PHE B 24 1.322 -1.962 -7.646 1.00 0.51 H new ATOM 0 HE1 PHE B 24 2.044 -0.298 -12.217 1.00 0.71 H new ATOM 0 HE2 PHE B 24 0.321 0.170 -8.347 1.00 0.61 H new ATOM 0 HZ PHE B 24 0.679 1.004 -10.635 1.00 0.70 H new ATOM 2016 N VAL B 25 5.410 -1.432 -8.855 1.00 0.26 N ATOM 2017 CA VAL B 25 5.907 -0.258 -8.157 1.00 0.27 C ATOM 2018 C VAL B 25 5.109 0.976 -8.550 1.00 0.26 C ATOM 2019 O VAL B 25 4.334 0.946 -9.509 1.00 0.25 O ATOM 2020 CB VAL B 25 7.403 -0.010 -8.441 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.265 -0.929 -7.592 1.00 0.74 C ATOM 2022 CG2 VAL B 25 7.710 -0.198 -9.919 1.00 0.78 C ATOM 0 H VAL B 25 5.503 -1.388 -9.870 1.00 0.26 H new ATOM 0 HA VAL B 25 5.788 -0.448 -7.090 1.00 0.27 H new ATOM 0 HB VAL B 25 7.636 1.021 -8.176 1.00 0.34 H new ATOM 0 HG11 VAL B 25 9.317 -0.741 -7.805 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.069 -0.739 -6.537 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.028 -1.967 -7.824 1.00 0.74 H new ATOM 0 HG21 VAL B 25 8.770 -0.018 -10.096 1.00 0.78 H new ATOM 0 HG22 VAL B 25 7.460 -1.217 -10.216 1.00 0.78 H new ATOM 0 HG23 VAL B 25 7.120 0.506 -10.506 1.00 0.78 H new ATOM 2032 N ASP B 26 5.307 2.053 -7.808 1.00 0.27 N ATOM 2033 CA ASP B 26 4.605 3.307 -8.058 1.00 0.29 C ATOM 2034 C ASP B 26 5.310 4.118 -9.153 1.00 0.24 C ATOM 2035 O ASP B 26 6.127 3.586 -9.908 1.00 0.22 O ATOM 2036 CB ASP B 26 4.521 4.115 -6.755 1.00 0.39 C ATOM 2037 CG ASP B 26 3.478 5.214 -6.804 1.00 0.48 C ATOM 2038 OD1 ASP B 26 2.294 4.926 -6.562 1.00 0.78 O ATOM 2039 OD2 ASP B 26 3.850 6.369 -7.093 1.00 0.72 O ATOM 0 H ASP B 26 5.954 2.086 -7.020 1.00 0.27 H new ATOM 0 HA ASP B 26 3.596 3.085 -8.407 1.00 0.29 H new ATOM 0 HB2 ASP B 26 4.291 3.440 -5.930 1.00 0.39 H new ATOM 0 HB3 ASP B 26 5.495 4.556 -6.544 1.00 0.39 H new ATOM 2044 N HIS B 27 4.988 5.400 -9.244 1.00 0.26 N ATOM 2045 CA HIS B 27 5.588 6.282 -10.236 1.00 0.26 C ATOM 2046 C HIS B 27 6.622 7.170 -9.558 1.00 0.23 C ATOM 2047 O HIS B 27 7.485 7.760 -10.207 1.00 0.26 O ATOM 2048 CB HIS B 27 4.523 7.164 -10.909 1.00 0.34 C ATOM 2049 CG HIS B 27 3.191 6.498 -11.091 1.00 0.50 C ATOM 2050 ND1 HIS B 27 2.085 6.814 -10.330 1.00 0.70 N ATOM 2051 CD2 HIS B 27 2.790 5.526 -11.944 1.00 0.66 C ATOM 2052 CE1 HIS B 27 1.066 6.066 -10.704 1.00 0.86 C ATOM 2053 NE2 HIS B 27 1.465 5.276 -11.682 1.00 0.83 N ATOM 0 H HIS B 27 4.308 5.857 -8.637 1.00 0.26 H new ATOM 0 HA HIS B 27 6.061 5.668 -11.003 1.00 0.26 H new ATOM 0 HB2 HIS B 27 4.386 8.066 -10.313 1.00 0.34 H new ATOM 0 HB3 HIS B 27 4.894 7.480 -11.884 1.00 0.34 H new ATOM 0 HD2 HIS B 27 3.398 5.038 -12.691 1.00 0.66 H new ATOM 0 HE1 HIS B 27 0.073 6.095 -10.281 1.00 0.86 H new ATOM 0 HE2 HIS B 27 0.884 4.591 -12.165 1.00 0.83 H new ATOM 2062 N ARG B 28 6.531 7.239 -8.235 1.00 0.24 N ATOM 2063 CA ARG B 28 7.430 8.062 -7.430 1.00 0.27 C ATOM 2064 C ARG B 28 8.820 7.441 -7.305 1.00 0.24 C ATOM 2065 O ARG B 28 9.709 8.037 -6.707 1.00 0.28 O ATOM 2066 CB ARG B 28 6.838 8.273 -6.036 1.00 0.35 C ATOM 2067 CG ARG B 28 5.425 8.825 -6.050 1.00 0.48 C ATOM 2068 CD ARG B 28 4.776 8.732 -4.681 1.00 0.56 C ATOM 2069 NE ARG B 28 3.452 9.350 -4.666 1.00 0.99 N ATOM 2070 CZ ARG B 28 2.710 9.504 -3.571 1.00 1.26 C ATOM 2071 NH1 ARG B 28 3.144 9.063 -2.397 1.00 1.61 N ATOM 2072 NH2 ARG B 28 1.527 10.095 -3.653 1.00 1.87 N ATOM 0 H ARG B 28 5.835 6.729 -7.691 1.00 0.24 H new ATOM 0 HA ARG B 28 7.537 9.020 -7.939 1.00 0.27 H new ATOM 0 HB2 ARG B 28 6.842 7.323 -5.502 1.00 0.35 H new ATOM 0 HB3 ARG B 28 7.479 8.955 -5.478 1.00 0.35 H new ATOM 0 HG2 ARG B 28 5.443 9.865 -6.375 1.00 0.48 H new ATOM 0 HG3 ARG B 28 4.826 8.275 -6.776 1.00 0.48 H new ATOM 0 HD2 ARG B 28 4.692 7.685 -4.389 1.00 0.56 H new ATOM 0 HD3 ARG B 28 5.413 9.219 -3.943 1.00 0.56 H new ATOM 0 HE ARG B 28 3.072 9.685 -5.551 1.00 0.99 H new ATOM 0 HH11 ARG B 28 4.052 8.602 -2.329 1.00 1.61 H new ATOM 0 HH12 ARG B 28 2.570 9.185 -1.563 1.00 1.61 H new ATOM 0 HH21 ARG B 28 1.186 10.431 -4.554 1.00 1.87 H new ATOM 0 HH22 ARG B 28 0.957 10.214 -2.815 1.00 1.87 H new ATOM 2086 N CYS B 29 9.006 6.260 -7.890 1.00 0.21 N ATOM 2087 CA CYS B 29 10.288 5.551 -7.840 1.00 0.22 C ATOM 2088 C CYS B 29 11.451 6.444 -8.284 1.00 0.22 C ATOM 2089 O CYS B 29 12.549 6.391 -7.715 1.00 0.25 O ATOM 2090 CB CYS B 29 10.229 4.306 -8.729 1.00 0.27 C ATOM 2091 SG CYS B 29 8.738 3.309 -8.500 1.00 1.34 S ATOM 0 H CYS B 29 8.279 5.768 -8.410 1.00 0.21 H new ATOM 0 HA CYS B 29 10.464 5.261 -6.804 1.00 0.22 H new ATOM 0 HB2 CYS B 29 10.291 4.614 -9.773 1.00 0.27 H new ATOM 0 HB3 CYS B 29 11.103 3.686 -8.527 1.00 0.27 H new ATOM 0 HG CYS B 29 8.534 3.118 -7.230 1.00 1.34 H new ATOM 2097 N VAL B 30 11.197 7.277 -9.287 1.00 0.24 N ATOM 2098 CA VAL B 30 12.214 8.174 -9.823 1.00 0.31 C ATOM 2099 C VAL B 30 12.495 9.331 -8.863 1.00 0.33 C ATOM 2100 O VAL B 30 13.564 9.938 -8.902 1.00 0.38 O ATOM 2101 CB VAL B 30 11.793 8.740 -11.195 1.00 0.39 C ATOM 2102 CG1 VAL B 30 13.006 9.242 -11.966 1.00 1.01 C ATOM 2103 CG2 VAL B 30 11.040 7.692 -12.002 1.00 0.92 C ATOM 0 H VAL B 30 10.290 7.350 -9.748 1.00 0.24 H new ATOM 0 HA VAL B 30 13.124 7.586 -9.946 1.00 0.31 H new ATOM 0 HB VAL B 30 11.125 9.584 -11.024 1.00 0.39 H new ATOM 0 HG11 VAL B 30 12.686 9.637 -12.930 1.00 1.01 H new ATOM 0 HG12 VAL B 30 13.498 10.030 -11.396 1.00 1.01 H new ATOM 0 HG13 VAL B 30 13.703 8.419 -12.124 1.00 1.01 H new ATOM 0 HG21 VAL B 30 10.753 8.112 -12.966 1.00 0.92 H new ATOM 0 HG22 VAL B 30 11.681 6.825 -12.161 1.00 0.92 H new ATOM 0 HG23 VAL B 30 10.146 7.387 -11.458 1.00 0.92 H new ATOM 2113 N ALA B 31 11.537 9.623 -7.997 1.00 0.34 N ATOM 2114 CA ALA B 31 11.683 10.701 -7.030 1.00 0.40 C ATOM 2115 C ALA B 31 12.358 10.204 -5.757 1.00 0.39 C ATOM 2116 O ALA B 31 13.064 10.954 -5.086 1.00 0.45 O ATOM 2117 CB ALA B 31 10.326 11.308 -6.711 1.00 0.46 C ATOM 0 H ALA B 31 10.647 9.127 -7.944 1.00 0.34 H new ATOM 0 HA ALA B 31 12.317 11.471 -7.469 1.00 0.40 H new ATOM 0 HB1 ALA B 31 10.449 12.113 -5.987 1.00 0.46 H new ATOM 0 HB2 ALA B 31 9.882 11.706 -7.623 1.00 0.46 H new ATOM 0 HB3 ALA B 31 9.673 10.541 -6.294 1.00 0.46 H new ATOM 2123 N THR B 32 12.130 8.942 -5.423 1.00 0.36 N ATOM 2124 CA THR B 32 12.717 8.344 -4.232 1.00 0.38 C ATOM 2125 C THR B 32 14.205 8.066 -4.413 1.00 0.42 C ATOM 2126 O THR B 32 15.045 8.648 -3.726 1.00 0.48 O ATOM 2127 CB THR B 32 12.014 7.024 -3.879 1.00 0.37 C ATOM 2128 OG1 THR B 32 10.638 7.094 -4.261 1.00 0.36 O ATOM 2129 CG2 THR B 32 12.129 6.727 -2.391 1.00 0.44 C ATOM 0 H THR B 32 11.540 8.309 -5.963 1.00 0.36 H new ATOM 0 HA THR B 32 12.585 9.064 -3.425 1.00 0.38 H new ATOM 0 HB THR B 32 12.501 6.216 -4.424 1.00 0.37 H new ATOM 0 HG1 THR B 32 10.076 7.117 -3.458 1.00 0.36 H new ATOM 0 HG21 THR B 32 11.623 5.788 -2.167 1.00 0.44 H new ATOM 0 HG22 THR B 32 13.181 6.647 -2.116 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.665 7.533 -1.822 1.00 0.44 H new ATOM 2137 N VAL B 33 14.523 7.172 -5.342 1.00 0.42 N ATOM 2138 CA VAL B 33 15.911 6.798 -5.593 1.00 0.52 C ATOM 2139 C VAL B 33 16.338 7.122 -7.020 1.00 0.57 C ATOM 2140 O VAL B 33 17.531 7.126 -7.334 1.00 0.99 O ATOM 2141 CB VAL B 33 16.147 5.297 -5.320 1.00 0.56 C ATOM 2142 CG1 VAL B 33 16.221 5.036 -3.826 1.00 0.67 C ATOM 2143 CG2 VAL B 33 15.051 4.451 -5.954 1.00 0.51 C ATOM 0 H VAL B 33 13.842 6.694 -5.932 1.00 0.42 H new ATOM 0 HA VAL B 33 16.518 7.387 -4.905 1.00 0.52 H new ATOM 0 HB VAL B 33 17.098 5.014 -5.771 1.00 0.56 H new ATOM 0 HG11 VAL B 33 16.388 3.973 -3.650 1.00 0.67 H new ATOM 0 HG12 VAL B 33 17.044 5.608 -3.397 1.00 0.67 H new ATOM 0 HG13 VAL B 33 15.285 5.339 -3.357 1.00 0.67 H new ATOM 0 HG21 VAL B 33 15.239 3.397 -5.748 1.00 0.51 H new ATOM 0 HG22 VAL B 33 14.085 4.735 -5.537 1.00 0.51 H new ATOM 0 HG23 VAL B 33 15.043 4.614 -7.032 1.00 0.51 H new ATOM 2153 N GLY B 34 15.370 7.397 -7.880 1.00 0.36 N ATOM 2154 CA GLY B 34 15.681 7.719 -9.256 1.00 0.38 C ATOM 2155 C GLY B 34 15.721 6.493 -10.143 1.00 0.33 C ATOM 2156 O GLY B 34 16.259 6.536 -11.248 1.00 0.38 O ATOM 0 H GLY B 34 14.376 7.403 -7.650 1.00 0.36 H new ATOM 0 HA2 GLY B 34 14.937 8.417 -9.640 1.00 0.38 H new ATOM 0 HA3 GLY B 34 16.645 8.226 -9.298 1.00 0.38 H new ATOM 2160 N TYR B 35 15.147 5.403 -9.665 1.00 0.32 N ATOM 2161 CA TYR B 35 15.121 4.162 -10.422 1.00 0.31 C ATOM 2162 C TYR B 35 13.845 4.071 -11.244 1.00 0.29 C ATOM 2163 O TYR B 35 12.796 4.564 -10.827 1.00 0.35 O ATOM 2164 CB TYR B 35 15.207 2.960 -9.478 1.00 0.33 C ATOM 2165 CG TYR B 35 16.610 2.432 -9.276 1.00 0.30 C ATOM 2166 CD1 TYR B 35 17.134 1.464 -10.122 1.00 0.39 C ATOM 2167 CD2 TYR B 35 17.406 2.895 -8.238 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.410 0.970 -9.939 1.00 0.39 C ATOM 2169 CE2 TYR B 35 18.685 2.407 -8.050 1.00 0.30 C ATOM 2170 CZ TYR B 35 19.181 1.445 -8.902 1.00 0.30 C ATOM 2171 OH TYR B 35 20.453 0.952 -8.711 1.00 0.34 O ATOM 0 H TYR B 35 14.691 5.351 -8.754 1.00 0.32 H new ATOM 0 HA TYR B 35 15.980 4.152 -11.092 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.794 3.242 -8.510 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.582 2.158 -9.870 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.533 1.091 -10.938 1.00 0.39 H new ATOM 0 HD2 TYR B 35 17.020 3.648 -7.567 1.00 0.30 H new ATOM 0 HE1 TYR B 35 18.801 0.215 -10.605 1.00 0.39 H new ATOM 0 HE2 TYR B 35 19.293 2.778 -7.238 1.00 0.30 H new ATOM 0 HH TYR B 35 20.862 1.393 -7.937 1.00 0.34 H new ATOM 2181 N GLN B 36 13.943 3.467 -12.417 1.00 0.30 N ATOM 2182 CA GLN B 36 12.782 3.291 -13.275 1.00 0.31 C ATOM 2183 C GLN B 36 12.024 2.045 -12.834 1.00 0.30 C ATOM 2184 O GLN B 36 12.634 1.094 -12.349 1.00 0.35 O ATOM 2185 CB GLN B 36 13.204 3.166 -14.742 1.00 0.40 C ATOM 2186 CG GLN B 36 13.961 4.377 -15.261 1.00 0.42 C ATOM 2187 CD GLN B 36 13.071 5.587 -15.459 1.00 0.81 C ATOM 2188 OE1 GLN B 36 12.502 5.782 -16.531 1.00 1.63 O ATOM 2189 NE2 GLN B 36 12.949 6.415 -14.433 1.00 1.29 N ATOM 0 H GLN B 36 14.812 3.091 -12.796 1.00 0.30 H new ATOM 0 HA GLN B 36 12.135 4.164 -13.187 1.00 0.31 H new ATOM 0 HB2 GLN B 36 13.829 2.280 -14.858 1.00 0.40 H new ATOM 0 HB3 GLN B 36 12.316 3.012 -15.355 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.758 4.629 -14.561 1.00 0.42 H new ATOM 0 HG3 GLN B 36 14.437 4.123 -16.208 1.00 0.42 H new ATOM 0 HE21 GLN B 36 13.437 6.219 -13.559 1.00 1.29 H new ATOM 0 HE22 GLN B 36 12.367 7.248 -14.517 1.00 1.29 H new ATOM 2198 N PRO B 37 10.692 2.024 -12.996 1.00 0.33 N ATOM 2199 CA PRO B 37 9.860 0.880 -12.596 1.00 0.35 C ATOM 2200 C PRO B 37 10.373 -0.451 -13.150 1.00 0.31 C ATOM 2201 O PRO B 37 10.385 -1.466 -12.450 1.00 0.30 O ATOM 2202 CB PRO B 37 8.491 1.216 -13.192 1.00 0.43 C ATOM 2203 CG PRO B 37 8.471 2.702 -13.272 1.00 0.49 C ATOM 2204 CD PRO B 37 9.884 3.115 -13.577 1.00 0.40 C ATOM 0 HA PRO B 37 9.853 0.745 -11.514 1.00 0.35 H new ATOM 0 HB2 PRO B 37 8.365 0.764 -14.176 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.683 0.842 -12.564 1.00 0.43 H new ATOM 0 HG2 PRO B 37 7.788 3.043 -14.050 1.00 0.49 H new ATOM 0 HG3 PRO B 37 8.130 3.140 -12.334 1.00 0.49 H new ATOM 0 HD2 PRO B 37 10.052 3.212 -14.650 1.00 0.40 H new ATOM 0 HD3 PRO B 37 10.127 4.078 -13.128 1.00 0.40 H new ATOM 2212 N GLN B 38 10.830 -0.426 -14.396 1.00 0.33 N ATOM 2213 CA GLN B 38 11.333 -1.623 -15.068 1.00 0.35 C ATOM 2214 C GLN B 38 12.631 -2.127 -14.436 1.00 0.34 C ATOM 2215 O GLN B 38 12.998 -3.290 -14.604 1.00 0.33 O ATOM 2216 CB GLN B 38 11.561 -1.342 -16.557 1.00 0.46 C ATOM 2217 CG GLN B 38 10.300 -0.957 -17.319 1.00 0.57 C ATOM 2218 CD GLN B 38 9.851 0.468 -17.037 1.00 1.14 C ATOM 2219 OE1 GLN B 38 10.657 1.324 -16.664 1.00 2.03 O ATOM 2220 NE2 GLN B 38 8.567 0.734 -17.213 1.00 1.34 N ATOM 0 H GLN B 38 10.863 0.418 -14.968 1.00 0.33 H new ATOM 0 HA GLN B 38 10.578 -2.400 -14.954 1.00 0.35 H new ATOM 0 HB2 GLN B 38 12.292 -0.539 -16.656 1.00 0.46 H new ATOM 0 HB3 GLN B 38 11.996 -2.228 -17.020 1.00 0.46 H new ATOM 0 HG2 GLN B 38 10.478 -1.072 -18.388 1.00 0.57 H new ATOM 0 HG3 GLN B 38 9.497 -1.645 -17.054 1.00 0.57 H new ATOM 0 HE21 GLN B 38 7.932 -0.001 -17.523 1.00 1.34 H new ATOM 0 HE22 GLN B 38 8.213 1.674 -17.039 1.00 1.34 H new ATOM 2229 N GLU B 39 13.319 -1.254 -13.708 1.00 0.39 N ATOM 2230 CA GLU B 39 14.577 -1.621 -13.064 1.00 0.44 C ATOM 2231 C GLU B 39 14.320 -2.384 -11.768 1.00 0.44 C ATOM 2232 O GLU B 39 15.199 -3.086 -11.268 1.00 0.53 O ATOM 2233 CB GLU B 39 15.423 -0.375 -12.788 1.00 0.55 C ATOM 2234 CG GLU B 39 15.885 0.338 -14.049 1.00 0.59 C ATOM 2235 CD GLU B 39 16.777 1.529 -13.755 1.00 1.16 C ATOM 2236 OE1 GLU B 39 17.991 1.332 -13.530 1.00 1.59 O ATOM 2237 OE2 GLU B 39 16.272 2.671 -13.762 1.00 1.69 O ATOM 0 H GLU B 39 13.028 -0.289 -13.549 1.00 0.39 H new ATOM 0 HA GLU B 39 15.128 -2.272 -13.743 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.844 0.320 -12.179 1.00 0.55 H new ATOM 0 HB3 GLU B 39 16.296 -0.661 -12.202 1.00 0.55 H new ATOM 0 HG2 GLU B 39 16.424 -0.366 -14.683 1.00 0.59 H new ATOM 0 HG3 GLU B 39 15.014 0.672 -14.612 1.00 0.59 H new ATOM 2244 N LEU B 40 13.112 -2.240 -11.233 1.00 0.41 N ATOM 2245 CA LEU B 40 12.733 -2.922 -10.002 1.00 0.44 C ATOM 2246 C LEU B 40 11.962 -4.199 -10.322 1.00 0.40 C ATOM 2247 O LEU B 40 12.128 -5.223 -9.659 1.00 0.45 O ATOM 2248 CB LEU B 40 11.874 -2.012 -9.110 1.00 0.50 C ATOM 2249 CG LEU B 40 12.617 -0.900 -8.360 1.00 0.53 C ATOM 2250 CD1 LEU B 40 13.999 -1.360 -7.922 1.00 1.10 C ATOM 2251 CD2 LEU B 40 12.709 0.355 -9.213 1.00 1.24 C ATOM 0 H LEU B 40 12.378 -1.656 -11.634 1.00 0.41 H new ATOM 0 HA LEU B 40 13.646 -3.175 -9.464 1.00 0.44 H new ATOM 0 HB2 LEU B 40 11.105 -1.552 -9.730 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.362 -2.636 -8.377 1.00 0.50 H new ATOM 0 HG LEU B 40 12.046 -0.662 -7.462 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.501 -0.550 -7.393 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.903 -2.221 -7.261 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.584 -1.639 -8.798 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.240 1.131 -8.662 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.248 0.131 -10.134 1.00 1.24 H new ATOM 0 HD23 LEU B 40 11.705 0.704 -9.456 1.00 1.24 H new ATOM 2263 N LEU B 41 11.120 -4.128 -11.349 1.00 0.34 N ATOM 2264 CA LEU B 41 10.312 -5.269 -11.764 1.00 0.34 C ATOM 2265 C LEU B 41 11.190 -6.437 -12.195 1.00 0.38 C ATOM 2266 O LEU B 41 11.897 -6.358 -13.199 1.00 0.43 O ATOM 2267 CB LEU B 41 9.377 -4.874 -12.912 1.00 0.29 C ATOM 2268 CG LEU B 41 8.378 -3.759 -12.593 1.00 0.28 C ATOM 2269 CD1 LEU B 41 7.593 -3.375 -13.838 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.435 -4.183 -11.475 1.00 0.30 C ATOM 0 H LEU B 41 10.980 -3.288 -11.911 1.00 0.34 H new ATOM 0 HA LEU B 41 9.716 -5.582 -10.907 1.00 0.34 H new ATOM 0 HB2 LEU B 41 9.985 -4.562 -13.761 1.00 0.29 H new ATOM 0 HB3 LEU B 41 8.821 -5.758 -13.225 1.00 0.29 H new ATOM 0 HG LEU B 41 8.936 -2.886 -12.254 1.00 0.28 H new ATOM 0 HD11 LEU B 41 6.888 -2.581 -13.593 1.00 0.30 H new ATOM 0 HD12 LEU B 41 8.280 -3.025 -14.608 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.048 -4.244 -14.207 1.00 0.30 H new ATOM 0 HD21 LEU B 41 6.734 -3.376 -11.265 1.00 0.30 H new ATOM 0 HD22 LEU B 41 6.884 -5.072 -11.782 1.00 0.30 H new ATOM 0 HD23 LEU B 41 8.012 -4.406 -10.577 1.00 0.30 H new ATOM 2282 N GLY B 42 11.149 -7.512 -11.421 1.00 0.43 N ATOM 2283 CA GLY B 42 11.934 -8.689 -11.741 1.00 0.51 C ATOM 2284 C GLY B 42 13.219 -8.770 -10.944 1.00 0.49 C ATOM 2285 O GLY B 42 13.908 -9.791 -10.967 1.00 0.53 O ATOM 0 H GLY B 42 10.585 -7.591 -10.575 1.00 0.43 H new ATOM 0 HA2 GLY B 42 11.337 -9.581 -11.551 1.00 0.51 H new ATOM 0 HA3 GLY B 42 12.171 -8.684 -12.805 1.00 0.51 H new ATOM 2289 N LYS B 43 13.538 -7.698 -10.232 1.00 0.46 N ATOM 2290 CA LYS B 43 14.749 -7.644 -9.427 1.00 0.47 C ATOM 2291 C LYS B 43 14.418 -7.760 -7.945 1.00 0.40 C ATOM 2292 O LYS B 43 13.274 -7.555 -7.537 1.00 0.50 O ATOM 2293 CB LYS B 43 15.508 -6.341 -9.695 1.00 0.57 C ATOM 2294 CG LYS B 43 16.186 -6.286 -11.059 1.00 0.73 C ATOM 2295 CD LYS B 43 17.446 -7.138 -11.097 1.00 0.81 C ATOM 2296 CE LYS B 43 17.130 -8.604 -11.351 1.00 1.70 C ATOM 2297 NZ LYS B 43 17.968 -9.504 -10.518 1.00 2.45 N ATOM 0 H LYS B 43 12.972 -6.851 -10.196 1.00 0.46 H new ATOM 0 HA LYS B 43 15.382 -8.486 -9.707 1.00 0.47 H new ATOM 0 HB2 LYS B 43 14.814 -5.505 -9.612 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.263 -6.207 -8.920 1.00 0.57 H new ATOM 0 HG2 LYS B 43 15.491 -6.630 -11.825 1.00 0.73 H new ATOM 0 HG3 LYS B 43 16.438 -5.253 -11.298 1.00 0.73 H new ATOM 0 HD2 LYS B 43 18.111 -6.769 -11.878 1.00 0.81 H new ATOM 0 HD3 LYS B 43 17.980 -7.040 -10.152 1.00 0.81 H new ATOM 0 HE2 LYS B 43 16.077 -8.790 -11.140 1.00 1.70 H new ATOM 0 HE3 LYS B 43 17.289 -8.832 -12.405 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 17.687 -10.492 -10.683 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 18.969 -9.381 -10.773 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 17.836 -9.270 -9.513 1.00 2.45 H new ATOM 2311 N ASN B 44 15.421 -8.098 -7.147 1.00 0.32 N ATOM 2312 CA ASN B 44 15.240 -8.243 -5.712 1.00 0.29 C ATOM 2313 C ASN B 44 15.599 -6.943 -5.008 1.00 0.28 C ATOM 2314 O ASN B 44 16.627 -6.336 -5.302 1.00 0.30 O ATOM 2315 CB ASN B 44 16.112 -9.381 -5.160 1.00 0.30 C ATOM 2316 CG ASN B 44 15.847 -10.715 -5.831 1.00 0.91 C ATOM 2317 OD1 ASN B 44 16.409 -11.015 -6.886 1.00 1.92 O ATOM 2318 ND2 ASN B 44 15.014 -11.539 -5.213 1.00 0.70 N ATOM 0 H ASN B 44 16.371 -8.277 -7.472 1.00 0.32 H new ATOM 0 HA ASN B 44 14.193 -8.484 -5.526 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.163 -9.120 -5.287 1.00 0.30 H new ATOM 0 HB3 ASN B 44 15.935 -9.479 -4.089 1.00 0.30 H new ATOM 0 HD21 ASN B 44 14.819 -12.458 -5.609 1.00 0.70 H new ATOM 0 HD22 ASN B 44 14.568 -11.254 -4.341 1.00 0.70 H new ATOM 2325 N ILE B 45 14.750 -6.520 -4.081 1.00 0.25 N ATOM 2326 CA ILE B 45 14.983 -5.292 -3.321 1.00 0.25 C ATOM 2327 C ILE B 45 16.309 -5.361 -2.556 1.00 0.24 C ATOM 2328 O ILE B 45 16.975 -4.347 -2.349 1.00 0.31 O ATOM 2329 CB ILE B 45 13.817 -5.014 -2.338 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.108 -3.777 -1.479 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.547 -6.231 -1.462 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.921 -3.305 -0.665 1.00 0.28 C ATOM 0 H ILE B 45 13.890 -7.009 -3.834 1.00 0.25 H new ATOM 0 HA ILE B 45 15.037 -4.471 -4.036 1.00 0.25 H new ATOM 0 HB ILE B 45 12.921 -4.813 -2.925 1.00 0.25 H new ATOM 0 HG12 ILE B 45 14.934 -4.001 -0.804 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.438 -2.965 -2.127 1.00 0.27 H new ATOM 0 HG21 ILE B 45 12.725 -6.013 -0.780 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.281 -7.080 -2.091 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.441 -6.471 -0.887 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.204 -2.427 -0.084 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.100 -3.048 -1.334 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.604 -4.100 0.010 1.00 0.28 H new ATOM 2344 N VAL B 46 16.703 -6.570 -2.173 1.00 0.21 N ATOM 2345 CA VAL B 46 17.940 -6.781 -1.431 1.00 0.23 C ATOM 2346 C VAL B 46 19.171 -6.471 -2.293 1.00 0.23 C ATOM 2347 O VAL B 46 20.242 -6.158 -1.772 1.00 0.29 O ATOM 2348 CB VAL B 46 18.017 -8.232 -0.900 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.256 -9.219 -2.034 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.091 -8.363 0.170 1.00 1.15 C ATOM 0 H VAL B 46 16.180 -7.424 -2.366 1.00 0.21 H new ATOM 0 HA VAL B 46 17.936 -6.094 -0.585 1.00 0.23 H new ATOM 0 HB VAL B 46 17.056 -8.472 -0.445 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.306 -10.231 -1.631 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.438 -9.154 -2.752 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.196 -8.980 -2.532 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.125 -9.392 0.527 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.059 -8.093 -0.251 1.00 1.15 H new ATOM 0 HG23 VAL B 46 18.859 -7.698 1.002 1.00 1.15 H new ATOM 2360 N GLU B 47 19.001 -6.520 -3.613 1.00 0.23 N ATOM 2361 CA GLU B 47 20.099 -6.258 -4.538 1.00 0.27 C ATOM 2362 C GLU B 47 20.499 -4.790 -4.504 1.00 0.25 C ATOM 2363 O GLU B 47 21.671 -4.452 -4.657 1.00 0.35 O ATOM 2364 CB GLU B 47 19.704 -6.637 -5.964 1.00 0.34 C ATOM 2365 CG GLU B 47 19.382 -8.108 -6.145 1.00 0.42 C ATOM 2366 CD GLU B 47 19.168 -8.466 -7.599 1.00 1.07 C ATOM 2367 OE1 GLU B 47 20.171 -8.688 -8.313 1.00 1.06 O ATOM 2368 OE2 GLU B 47 18.002 -8.525 -8.042 1.00 1.96 O ATOM 0 H GLU B 47 18.113 -6.739 -4.065 1.00 0.23 H new ATOM 0 HA GLU B 47 20.947 -6.867 -4.224 1.00 0.27 H new ATOM 0 HB2 GLU B 47 18.836 -6.047 -6.259 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.517 -6.368 -6.639 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.195 -8.710 -5.739 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.487 -8.356 -5.575 1.00 0.42 H new ATOM 2375 N PHE B 48 19.513 -3.927 -4.294 1.00 0.22 N ATOM 2376 CA PHE B 48 19.747 -2.488 -4.245 1.00 0.26 C ATOM 2377 C PHE B 48 19.825 -2.010 -2.803 1.00 0.26 C ATOM 2378 O PHE B 48 19.634 -0.832 -2.512 1.00 0.33 O ATOM 2379 CB PHE B 48 18.632 -1.742 -4.982 1.00 0.32 C ATOM 2380 CG PHE B 48 18.304 -2.326 -6.326 1.00 0.35 C ATOM 2381 CD1 PHE B 48 19.109 -2.067 -7.422 1.00 0.40 C ATOM 2382 CD2 PHE B 48 17.190 -3.135 -6.490 1.00 0.39 C ATOM 2383 CE1 PHE B 48 18.809 -2.604 -8.659 1.00 0.45 C ATOM 2384 CE2 PHE B 48 16.886 -3.674 -7.725 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.696 -3.408 -8.810 1.00 0.46 C ATOM 0 H PHE B 48 18.540 -4.199 -4.154 1.00 0.22 H new ATOM 0 HA PHE B 48 20.697 -2.278 -4.736 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.734 -1.746 -4.364 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.926 -0.700 -5.110 1.00 0.32 H new ATOM 0 HD1 PHE B 48 19.980 -1.439 -7.309 1.00 0.40 H new ATOM 0 HD2 PHE B 48 16.553 -3.346 -5.643 1.00 0.39 H new ATOM 0 HE1 PHE B 48 19.444 -2.395 -9.507 1.00 0.45 H new ATOM 0 HE2 PHE B 48 16.016 -4.303 -7.841 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.460 -3.828 -9.777 1.00 0.46 H new ATOM 2395 N CYS B 49 20.106 -2.934 -1.904 1.00 0.23 N ATOM 2396 CA CYS B 49 20.211 -2.614 -0.495 1.00 0.28 C ATOM 2397 C CYS B 49 21.672 -2.593 -0.069 1.00 0.30 C ATOM 2398 O CYS B 49 22.523 -3.224 -0.701 1.00 0.38 O ATOM 2399 CB CYS B 49 19.426 -3.635 0.333 1.00 0.31 C ATOM 2400 SG CYS B 49 19.474 -3.352 2.118 1.00 1.17 S ATOM 0 H CYS B 49 20.266 -3.916 -2.127 1.00 0.23 H new ATOM 0 HA CYS B 49 19.787 -1.625 -0.323 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.387 -3.627 0.005 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.818 -4.630 0.125 1.00 0.31 H new ATOM 0 HG CYS B 49 18.635 -2.410 2.431 1.00 1.17 H new ATOM 2406 N HIS B 50 21.958 -1.834 0.979 1.00 0.32 N ATOM 2407 CA HIS B 50 23.304 -1.734 1.523 1.00 0.38 C ATOM 2408 C HIS B 50 23.773 -3.115 1.972 1.00 0.32 C ATOM 2409 O HIS B 50 23.051 -3.801 2.690 1.00 0.31 O ATOM 2410 CB HIS B 50 23.299 -0.758 2.702 1.00 0.54 C ATOM 2411 CG HIS B 50 24.653 -0.286 3.133 1.00 0.41 C ATOM 2412 ND1 HIS B 50 25.022 -0.180 4.453 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.716 0.136 2.415 1.00 1.18 C ATOM 2414 CE1 HIS B 50 26.250 0.289 4.527 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.696 0.489 3.302 1.00 1.08 N ATOM 0 H HIS B 50 21.266 -1.272 1.475 1.00 0.32 H new ATOM 0 HA HIS B 50 23.989 -1.363 0.761 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.696 0.109 2.435 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.810 -1.237 3.550 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.436 -0.426 5.251 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.781 0.186 1.338 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.799 0.478 5.437 1.00 0.87 H new ATOM 2424 N PRO B 51 24.974 -3.539 1.543 1.00 0.35 N ATOM 2425 CA PRO B 51 25.535 -4.853 1.884 1.00 0.38 C ATOM 2426 C PRO B 51 25.384 -5.225 3.358 1.00 0.36 C ATOM 2427 O PRO B 51 24.864 -6.293 3.679 1.00 0.46 O ATOM 2428 CB PRO B 51 27.010 -4.704 1.523 1.00 0.47 C ATOM 2429 CG PRO B 51 27.025 -3.718 0.412 1.00 0.72 C ATOM 2430 CD PRO B 51 25.883 -2.771 0.670 1.00 0.44 C ATOM 0 HA PRO B 51 25.016 -5.652 1.354 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.593 -4.352 2.374 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.441 -5.656 1.214 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.974 -3.183 0.380 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.907 -4.216 -0.551 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.224 -1.856 1.155 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.392 -2.476 -0.257 1.00 0.44 H new ATOM 2438 N GLU B 52 25.814 -4.339 4.250 1.00 0.37 N ATOM 2439 CA GLU B 52 25.741 -4.595 5.688 1.00 0.38 C ATOM 2440 C GLU B 52 24.332 -4.372 6.251 1.00 0.37 C ATOM 2441 O GLU B 52 24.102 -4.549 7.448 1.00 0.40 O ATOM 2442 CB GLU B 52 26.741 -3.708 6.437 1.00 0.45 C ATOM 2443 CG GLU B 52 28.113 -3.639 5.786 1.00 0.78 C ATOM 2444 CD GLU B 52 28.269 -2.426 4.893 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.710 -2.427 3.777 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.947 -1.460 5.307 1.00 1.70 O ATOM 0 H GLU B 52 26.218 -3.435 4.004 1.00 0.37 H new ATOM 0 HA GLU B 52 25.993 -5.645 5.837 1.00 0.38 H new ATOM 0 HB2 GLU B 52 26.333 -2.700 6.510 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.851 -4.082 7.455 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.879 -3.617 6.561 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.279 -4.542 5.199 1.00 0.78 H new ATOM 2453 N ASP B 53 23.392 -3.997 5.394 1.00 0.36 N ATOM 2454 CA ASP B 53 22.015 -3.753 5.825 1.00 0.37 C ATOM 2455 C ASP B 53 21.066 -4.757 5.186 1.00 0.38 C ATOM 2456 O ASP B 53 19.860 -4.738 5.437 1.00 0.42 O ATOM 2457 CB ASP B 53 21.577 -2.332 5.459 1.00 0.47 C ATOM 2458 CG ASP B 53 22.152 -1.282 6.386 1.00 0.48 C ATOM 2459 OD1 ASP B 53 23.346 -0.946 6.246 1.00 1.10 O ATOM 2460 OD2 ASP B 53 21.414 -0.779 7.256 1.00 1.09 O ATOM 0 H ASP B 53 23.554 -3.854 4.397 1.00 0.36 H new ATOM 0 HA ASP B 53 21.979 -3.868 6.908 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.885 -2.114 4.436 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.489 -2.275 5.484 1.00 0.47 H new ATOM 2465 N GLN B 54 21.624 -5.635 4.363 1.00 0.41 N ATOM 2466 CA GLN B 54 20.846 -6.648 3.663 1.00 0.47 C ATOM 2467 C GLN B 54 20.217 -7.642 4.631 1.00 0.50 C ATOM 2468 O GLN B 54 19.053 -8.016 4.472 1.00 0.53 O ATOM 2469 CB GLN B 54 21.725 -7.375 2.648 1.00 0.56 C ATOM 2470 CG GLN B 54 21.986 -6.560 1.393 1.00 0.65 C ATOM 2471 CD GLN B 54 22.955 -7.233 0.445 1.00 0.69 C ATOM 2472 OE1 GLN B 54 23.901 -7.896 0.869 1.00 1.10 O ATOM 2473 NE2 GLN B 54 22.719 -7.076 -0.847 1.00 0.80 N ATOM 0 H GLN B 54 22.624 -5.665 4.163 1.00 0.41 H new ATOM 0 HA GLN B 54 20.035 -6.144 3.138 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.677 -7.626 3.115 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.248 -8.315 2.371 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.042 -6.385 0.876 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.380 -5.584 1.675 1.00 0.65 H new ATOM 0 HE21 GLN B 54 21.923 -6.518 -1.156 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.333 -7.513 -1.534 1.00 0.80 H new ATOM 2482 N GLN B 55 20.983 -8.067 5.634 1.00 0.54 N ATOM 2483 CA GLN B 55 20.479 -9.008 6.623 1.00 0.61 C ATOM 2484 C GLN B 55 19.310 -8.389 7.379 1.00 0.52 C ATOM 2485 O GLN B 55 18.311 -9.052 7.631 1.00 0.52 O ATOM 2486 CB GLN B 55 21.584 -9.422 7.598 1.00 0.76 C ATOM 2487 CG GLN B 55 21.145 -10.482 8.596 1.00 1.33 C ATOM 2488 CD GLN B 55 20.814 -11.810 7.940 1.00 1.73 C ATOM 2489 OE1 GLN B 55 21.409 -12.185 6.929 1.00 2.72 O ATOM 2490 NE2 GLN B 55 19.861 -12.531 8.508 1.00 1.51 N ATOM 0 H GLN B 55 21.949 -7.775 5.780 1.00 0.54 H new ATOM 0 HA GLN B 55 20.135 -9.903 6.104 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.436 -9.798 7.031 1.00 0.76 H new ATOM 0 HB3 GLN B 55 21.927 -8.542 8.142 1.00 0.76 H new ATOM 0 HG2 GLN B 55 21.936 -10.632 9.330 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.271 -10.123 9.139 1.00 1.33 H new ATOM 0 HE21 GLN B 55 19.391 -12.186 9.345 1.00 1.51 H new ATOM 0 HE22 GLN B 55 19.596 -13.432 8.109 1.00 1.51 H new ATOM 2499 N LEU B 56 19.442 -7.110 7.720 1.00 0.51 N ATOM 2500 CA LEU B 56 18.395 -6.382 8.431 1.00 0.51 C ATOM 2501 C LEU B 56 17.098 -6.389 7.625 1.00 0.42 C ATOM 2502 O LEU B 56 16.022 -6.656 8.164 1.00 0.42 O ATOM 2503 CB LEU B 56 18.841 -4.940 8.694 1.00 0.60 C ATOM 2504 CG LEU B 56 17.816 -4.057 9.410 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.621 -4.510 10.848 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.244 -2.600 9.359 1.00 1.42 C ATOM 0 H LEU B 56 20.271 -6.553 7.513 1.00 0.51 H new ATOM 0 HA LEU B 56 18.215 -6.878 9.385 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.754 -4.963 9.288 1.00 0.60 H new ATOM 0 HB3 LEU B 56 19.093 -4.476 7.741 1.00 0.60 H new ATOM 0 HG LEU B 56 16.861 -4.155 8.894 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.888 -3.867 11.336 1.00 1.29 H new ATOM 0 HD12 LEU B 56 17.265 -5.540 10.860 1.00 1.29 H new ATOM 0 HD13 LEU B 56 18.570 -4.448 11.381 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.505 -1.985 9.872 1.00 1.42 H new ATOM 0 HD22 LEU B 56 19.212 -2.488 9.848 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.323 -2.280 8.320 1.00 1.42 H new ATOM 2518 N LEU B 57 17.211 -6.101 6.333 1.00 0.40 N ATOM 2519 CA LEU B 57 16.054 -6.087 5.448 1.00 0.39 C ATOM 2520 C LEU B 57 15.430 -7.474 5.380 1.00 0.37 C ATOM 2521 O LEU B 57 14.228 -7.636 5.585 1.00 0.39 O ATOM 2522 CB LEU B 57 16.463 -5.639 4.044 1.00 0.48 C ATOM 2523 CG LEU B 57 15.802 -4.353 3.545 1.00 0.60 C ATOM 2524 CD1 LEU B 57 15.924 -4.251 2.032 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.339 -4.292 3.968 1.00 1.15 C ATOM 0 H LEU B 57 18.094 -5.874 5.876 1.00 0.40 H new ATOM 0 HA LEU B 57 15.323 -5.383 5.846 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.544 -5.502 4.026 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.232 -6.441 3.344 1.00 0.48 H new ATOM 0 HG LEU B 57 16.319 -3.506 3.996 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.449 -3.331 1.690 1.00 1.01 H new ATOM 0 HD12 LEU B 57 16.977 -4.242 1.752 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.433 -5.107 1.569 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.892 -3.368 3.601 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.804 -5.145 3.551 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.273 -4.319 5.056 1.00 1.15 H new ATOM 2537 N ARG B 58 16.269 -8.467 5.113 1.00 0.42 N ATOM 2538 CA ARG B 58 15.836 -9.858 5.015 1.00 0.50 C ATOM 2539 C ARG B 58 15.170 -10.307 6.314 1.00 0.44 C ATOM 2540 O ARG B 58 14.095 -10.907 6.302 1.00 0.44 O ATOM 2541 CB ARG B 58 17.046 -10.738 4.706 1.00 0.65 C ATOM 2542 CG ARG B 58 16.707 -12.170 4.330 1.00 1.08 C ATOM 2543 CD ARG B 58 17.944 -12.896 3.830 1.00 1.12 C ATOM 2544 NE ARG B 58 17.768 -14.346 3.795 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.781 -15.211 3.740 1.00 2.21 C ATOM 2546 NH1 ARG B 58 20.034 -14.773 3.728 1.00 1.97 N ATOM 2547 NH2 ARG B 58 18.542 -16.514 3.686 1.00 3.01 N ATOM 0 H ARG B 58 17.268 -8.333 4.958 1.00 0.42 H new ATOM 0 HA ARG B 58 15.104 -9.951 4.213 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.609 -10.285 3.890 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.702 -10.750 5.577 1.00 0.65 H new ATOM 0 HG2 ARG B 58 16.297 -12.692 5.195 1.00 1.08 H new ATOM 0 HG3 ARG B 58 15.937 -12.177 3.558 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.191 -12.539 2.830 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.789 -12.652 4.473 1.00 1.12 H new ATOM 0 HE ARG B 58 16.818 -14.717 3.814 1.00 1.90 H new ATOM 0 HH11 ARG B 58 20.225 -13.771 3.761 1.00 1.97 H new ATOM 0 HH12 ARG B 58 20.806 -15.438 3.686 1.00 1.97 H new ATOM 0 HH21 ARG B 58 17.581 -16.857 3.686 1.00 3.01 H new ATOM 0 HH22 ARG B 58 19.319 -17.174 3.644 1.00 3.01 H new ATOM 2561 N ASP B 59 15.815 -9.985 7.427 1.00 0.42 N ATOM 2562 CA ASP B 59 15.325 -10.333 8.758 1.00 0.43 C ATOM 2563 C ASP B 59 13.960 -9.703 9.019 1.00 0.37 C ATOM 2564 O ASP B 59 13.058 -10.345 9.552 1.00 0.39 O ATOM 2565 CB ASP B 59 16.338 -9.859 9.805 1.00 0.49 C ATOM 2566 CG ASP B 59 16.008 -10.299 11.216 1.00 0.58 C ATOM 2567 OD1 ASP B 59 15.641 -11.474 11.413 1.00 0.76 O ATOM 2568 OD2 ASP B 59 16.155 -9.475 12.142 1.00 0.78 O ATOM 0 H ASP B 59 16.697 -9.473 7.434 1.00 0.42 H new ATOM 0 HA ASP B 59 15.210 -11.415 8.822 1.00 0.43 H new ATOM 0 HB2 ASP B 59 17.326 -10.235 9.538 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.393 -8.771 9.777 1.00 0.49 H new ATOM 2573 N SER B 60 13.810 -8.445 8.627 1.00 0.33 N ATOM 2574 CA SER B 60 12.554 -7.730 8.814 1.00 0.33 C ATOM 2575 C SER B 60 11.468 -8.281 7.892 1.00 0.28 C ATOM 2576 O SER B 60 10.306 -8.397 8.287 1.00 0.29 O ATOM 2577 CB SER B 60 12.759 -6.236 8.565 1.00 0.39 C ATOM 2578 OG SER B 60 13.766 -5.717 9.418 1.00 1.41 O ATOM 0 H SER B 60 14.543 -7.898 8.177 1.00 0.33 H new ATOM 0 HA SER B 60 12.226 -7.875 9.843 1.00 0.33 H new ATOM 0 HB2 SER B 60 13.037 -6.071 7.524 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.823 -5.703 8.733 1.00 0.39 H new ATOM 0 HG SER B 60 14.645 -6.023 9.110 1.00 1.41 H new ATOM 2584 N PHE B 61 11.849 -8.629 6.667 1.00 0.30 N ATOM 2585 CA PHE B 61 10.902 -9.176 5.704 1.00 0.32 C ATOM 2586 C PHE B 61 10.355 -10.507 6.194 1.00 0.33 C ATOM 2587 O PHE B 61 9.168 -10.785 6.058 1.00 0.34 O ATOM 2588 CB PHE B 61 11.552 -9.340 4.330 1.00 0.39 C ATOM 2589 CG PHE B 61 11.592 -8.066 3.536 1.00 0.43 C ATOM 2590 CD1 PHE B 61 10.603 -7.107 3.691 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.617 -7.826 2.636 1.00 0.59 C ATOM 2592 CE1 PHE B 61 10.636 -5.933 2.966 1.00 0.70 C ATOM 2593 CE2 PHE B 61 12.655 -6.654 1.908 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.663 -5.706 2.071 1.00 0.60 C ATOM 0 H PHE B 61 12.804 -8.542 6.319 1.00 0.30 H new ATOM 0 HA PHE B 61 10.075 -8.473 5.606 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.569 -9.712 4.459 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.005 -10.095 3.765 1.00 0.39 H new ATOM 0 HD1 PHE B 61 9.796 -7.281 4.388 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.395 -8.564 2.502 1.00 0.59 H new ATOM 0 HE1 PHE B 61 9.860 -5.193 3.098 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.461 -6.478 1.211 1.00 0.65 H new ATOM 0 HZ PHE B 61 11.691 -4.790 1.500 1.00 0.60 H new ATOM 2604 N GLN B 62 11.220 -11.324 6.775 1.00 0.35 N ATOM 2605 CA GLN B 62 10.798 -12.611 7.304 1.00 0.41 C ATOM 2606 C GLN B 62 9.882 -12.405 8.505 1.00 0.37 C ATOM 2607 O GLN B 62 8.938 -13.167 8.723 1.00 0.40 O ATOM 2608 CB GLN B 62 12.011 -13.456 7.703 1.00 0.52 C ATOM 2609 CG GLN B 62 12.890 -13.861 6.528 1.00 0.79 C ATOM 2610 CD GLN B 62 12.166 -14.723 5.507 1.00 1.44 C ATOM 2611 OE1 GLN B 62 11.235 -15.546 5.968 1.00 2.08 O flip ATOM 2612 NE2 GLN B 62 12.449 -14.653 4.308 1.00 2.12 N flip ATOM 0 H GLN B 62 12.213 -11.120 6.892 1.00 0.35 H new ATOM 0 HA GLN B 62 10.251 -13.143 6.526 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.613 -12.896 8.419 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.664 -14.355 8.212 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.264 -12.963 6.036 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.758 -14.404 6.902 1.00 0.79 H new ATOM 0 HE21 GLN B 62 13.172 -14.007 3.992 1.00 2.12 H new ATOM 0 HE22 GLN B 62 11.960 -15.241 3.633 1.00 2.12 H new ATOM 2621 N GLN B 63 10.151 -11.350 9.266 1.00 0.34 N ATOM 2622 CA GLN B 63 9.360 -11.032 10.447 1.00 0.36 C ATOM 2623 C GLN B 63 7.954 -10.574 10.072 1.00 0.29 C ATOM 2624 O GLN B 63 6.990 -10.911 10.757 1.00 0.32 O ATOM 2625 CB GLN B 63 10.056 -9.964 11.286 1.00 0.44 C ATOM 2626 CG GLN B 63 11.181 -10.517 12.141 1.00 0.66 C ATOM 2627 CD GLN B 63 11.948 -9.436 12.871 1.00 0.76 C ATOM 2628 OE1 GLN B 63 11.599 -9.060 13.991 1.00 1.33 O ATOM 2629 NE2 GLN B 63 12.998 -8.929 12.248 1.00 1.23 N ATOM 0 H GLN B 63 10.914 -10.698 9.084 1.00 0.34 H new ATOM 0 HA GLN B 63 9.270 -11.943 11.038 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.455 -9.194 10.625 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.321 -9.481 11.931 1.00 0.44 H new ATOM 0 HG2 GLN B 63 10.769 -11.217 12.867 1.00 0.66 H new ATOM 0 HG3 GLN B 63 11.868 -11.080 11.510 1.00 0.66 H new ATOM 0 HE21 GLN B 63 13.254 -9.268 11.321 1.00 1.23 H new ATOM 0 HE22 GLN B 63 13.552 -8.199 12.695 1.00 1.23 H new ATOM 2638 N VAL B 64 7.829 -9.820 8.982 1.00 0.26 N ATOM 2639 CA VAL B 64 6.520 -9.346 8.544 1.00 0.26 C ATOM 2640 C VAL B 64 5.648 -10.531 8.121 1.00 0.26 C ATOM 2641 O VAL B 64 4.417 -10.462 8.169 1.00 0.28 O ATOM 2642 CB VAL B 64 6.620 -8.303 7.398 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.711 -8.966 6.030 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.439 -7.345 7.451 1.00 0.30 C ATOM 0 H VAL B 64 8.608 -9.527 8.393 1.00 0.26 H new ATOM 0 HA VAL B 64 6.056 -8.840 9.390 1.00 0.26 H new ATOM 0 HB VAL B 64 7.541 -7.740 7.546 1.00 0.28 H new ATOM 0 HG11 VAL B 64 6.779 -8.200 5.258 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.597 -9.600 5.991 1.00 0.31 H new ATOM 0 HG13 VAL B 64 5.822 -9.574 5.860 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.522 -6.619 6.642 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.511 -7.906 7.342 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.437 -6.823 8.408 1.00 0.30 H new ATOM 2654 N VAL B 65 6.301 -11.622 7.720 1.00 0.29 N ATOM 2655 CA VAL B 65 5.601 -12.835 7.321 1.00 0.33 C ATOM 2656 C VAL B 65 5.134 -13.586 8.569 1.00 0.37 C ATOM 2657 O VAL B 65 4.177 -14.356 8.532 1.00 0.45 O ATOM 2658 CB VAL B 65 6.500 -13.757 6.459 1.00 0.40 C ATOM 2659 CG1 VAL B 65 5.730 -14.978 5.979 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.070 -12.995 5.273 1.00 0.39 C ATOM 0 H VAL B 65 7.317 -11.687 7.664 1.00 0.29 H new ATOM 0 HA VAL B 65 4.742 -12.547 6.714 1.00 0.33 H new ATOM 0 HB VAL B 65 7.325 -14.097 7.084 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.385 -15.607 5.377 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.373 -15.544 6.839 1.00 0.48 H new ATOM 0 HG13 VAL B 65 4.880 -14.658 5.377 1.00 0.48 H new ATOM 0 HG21 VAL B 65 7.698 -13.660 4.681 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.254 -12.621 4.655 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.667 -12.157 5.632 1.00 0.39 H new ATOM 2670 N LYS B 66 5.818 -13.335 9.681 1.00 0.37 N ATOM 2671 CA LYS B 66 5.480 -13.958 10.954 1.00 0.45 C ATOM 2672 C LYS B 66 4.310 -13.225 11.589 1.00 0.41 C ATOM 2673 O LYS B 66 3.443 -13.835 12.215 1.00 0.49 O ATOM 2674 CB LYS B 66 6.679 -13.933 11.904 1.00 0.57 C ATOM 2675 CG LYS B 66 7.820 -14.838 11.475 1.00 0.74 C ATOM 2676 CD LYS B 66 9.079 -14.571 12.286 1.00 0.67 C ATOM 2677 CE LYS B 66 8.842 -14.764 13.777 1.00 1.44 C ATOM 2678 NZ LYS B 66 10.114 -14.958 14.522 1.00 2.19 N ATOM 0 H LYS B 66 6.615 -12.700 9.725 1.00 0.37 H new ATOM 0 HA LYS B 66 5.205 -14.996 10.769 1.00 0.45 H new ATOM 0 HB2 LYS B 66 7.048 -12.910 11.981 1.00 0.57 H new ATOM 0 HB3 LYS B 66 6.348 -14.228 12.900 1.00 0.57 H new ATOM 0 HG2 LYS B 66 7.524 -15.880 11.594 1.00 0.74 H new ATOM 0 HG3 LYS B 66 8.029 -14.685 10.416 1.00 0.74 H new ATOM 0 HD2 LYS B 66 9.873 -15.240 11.955 1.00 0.67 H new ATOM 0 HD3 LYS B 66 9.421 -13.553 12.101 1.00 0.67 H new ATOM 0 HE2 LYS B 66 8.317 -13.896 14.176 1.00 1.44 H new ATOM 0 HE3 LYS B 66 8.195 -15.627 13.933 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 9.908 -15.086 15.533 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 10.604 -15.801 14.159 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 10.721 -14.123 14.395 1.00 2.19 H new ATOM 2692 N LEU B 67 4.303 -11.905 11.431 1.00 0.39 N ATOM 2693 CA LEU B 67 3.236 -11.072 11.968 1.00 0.43 C ATOM 2694 C LEU B 67 1.925 -11.379 11.252 1.00 0.62 C ATOM 2695 O LEU B 67 0.879 -11.529 11.888 1.00 1.30 O ATOM 2696 CB LEU B 67 3.582 -9.591 11.805 1.00 0.59 C ATOM 2697 CG LEU B 67 4.943 -9.168 12.367 1.00 0.54 C ATOM 2698 CD1 LEU B 67 5.240 -7.720 12.010 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.995 -9.363 13.877 1.00 0.79 C ATOM 0 H LEU B 67 5.028 -11.389 10.933 1.00 0.39 H new ATOM 0 HA LEU B 67 3.124 -11.291 13.030 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.553 -9.343 10.744 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.807 -8.999 12.292 1.00 0.59 H new ATOM 0 HG LEU B 67 5.706 -9.803 11.916 1.00 0.54 H new ATOM 0 HD11 LEU B 67 6.211 -7.437 12.417 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.255 -7.608 10.926 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.468 -7.076 12.431 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.972 -9.055 14.250 1.00 0.79 H new ATOM 0 HD22 LEU B 67 4.220 -8.759 14.349 1.00 0.79 H new ATOM 0 HD23 LEU B 67 4.831 -10.414 14.114 1.00 0.79 H new ATOM 2711 N LYS B 68 2.012 -11.475 9.925 1.00 0.48 N ATOM 2712 CA LYS B 68 0.871 -11.780 9.061 1.00 0.55 C ATOM 2713 C LYS B 68 -0.193 -10.687 9.101 1.00 0.47 C ATOM 2714 O LYS B 68 -1.004 -10.622 10.025 1.00 0.50 O ATOM 2715 CB LYS B 68 0.250 -13.132 9.419 1.00 0.69 C ATOM 2716 CG LYS B 68 1.088 -14.316 8.973 1.00 0.56 C ATOM 2717 CD LYS B 68 0.243 -15.564 8.780 1.00 0.67 C ATOM 2718 CE LYS B 68 1.060 -16.708 8.198 1.00 0.69 C ATOM 2719 NZ LYS B 68 0.241 -17.937 8.026 1.00 1.04 N ATOM 0 H LYS B 68 2.885 -11.342 9.415 1.00 0.48 H new ATOM 0 HA LYS B 68 1.258 -11.829 8.043 1.00 0.55 H new ATOM 0 HB2 LYS B 68 0.107 -13.183 10.498 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -0.737 -13.202 8.963 1.00 0.69 H new ATOM 0 HG2 LYS B 68 1.594 -14.072 8.039 1.00 0.56 H new ATOM 0 HG3 LYS B 68 1.863 -14.513 9.714 1.00 0.56 H new ATOM 0 HD2 LYS B 68 -0.181 -15.869 9.737 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.593 -15.339 8.118 1.00 0.67 H new ATOM 0 HE2 LYS B 68 1.472 -16.408 7.235 1.00 0.69 H new ATOM 0 HE3 LYS B 68 1.904 -16.922 8.853 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 0.855 -18.726 7.740 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 -0.228 -18.170 8.925 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.478 -17.775 7.292 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.182 -9.832 8.089 1.00 0.50 N ATOM 2734 CA GLY B 69 -1.153 -8.760 8.010 1.00 0.59 C ATOM 2735 C GLY B 69 -0.880 -7.656 9.005 1.00 0.54 C ATOM 2736 O GLY B 69 -1.807 -7.066 9.559 1.00 0.57 O ATOM 0 H GLY B 69 0.485 -9.862 7.318 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -1.150 -8.345 7.002 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.150 -9.164 8.185 1.00 0.59 H new ATOM 2740 N GLN B 70 0.393 -7.381 9.238 1.00 0.50 N ATOM 2741 CA GLN B 70 0.789 -6.338 10.167 1.00 0.46 C ATOM 2742 C GLN B 70 1.826 -5.430 9.518 1.00 0.38 C ATOM 2743 O GLN B 70 2.544 -5.850 8.610 1.00 0.37 O ATOM 2744 CB GLN B 70 1.337 -6.949 11.460 1.00 0.50 C ATOM 2745 CG GLN B 70 1.358 -5.980 12.632 1.00 1.31 C ATOM 2746 CD GLN B 70 0.046 -5.235 12.789 1.00 1.89 C ATOM 2747 OE1 GLN B 70 -0.128 -4.143 12.245 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -0.886 -5.822 13.522 1.00 2.32 N ATOM 0 H GLN B 70 1.172 -7.868 8.794 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.087 -5.741 10.421 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.732 -7.816 11.727 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.350 -7.310 11.280 1.00 0.50 H new ATOM 0 HG2 GLN B 70 1.574 -6.528 13.549 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.166 -5.262 12.492 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -0.700 -6.727 13.955 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -1.791 -5.370 13.654 1.00 2.32 H new ATOM 2757 N VAL B 71 1.894 -4.189 9.977 1.00 0.36 N ATOM 2758 CA VAL B 71 2.833 -3.223 9.427 1.00 0.32 C ATOM 2759 C VAL B 71 4.148 -3.220 10.210 1.00 0.31 C ATOM 2760 O VAL B 71 4.161 -3.136 11.441 1.00 0.39 O ATOM 2761 CB VAL B 71 2.227 -1.797 9.394 1.00 0.38 C ATOM 2762 CG1 VAL B 71 1.809 -1.345 10.784 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.205 -0.807 8.773 1.00 1.35 C ATOM 0 H VAL B 71 1.309 -3.827 10.730 1.00 0.36 H new ATOM 0 HA VAL B 71 3.042 -3.528 8.402 1.00 0.32 H new ATOM 0 HB VAL B 71 1.333 -1.829 8.771 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.388 -0.341 10.729 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.061 -2.031 11.180 1.00 1.28 H new ATOM 0 HG13 VAL B 71 2.679 -1.338 11.441 1.00 1.28 H new ATOM 0 HG21 VAL B 71 2.758 0.187 8.761 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.123 -0.785 9.361 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.435 -1.114 7.753 1.00 1.35 H new ATOM 2773 N LEU B 72 5.250 -3.338 9.483 1.00 0.27 N ATOM 2774 CA LEU B 72 6.577 -3.337 10.079 1.00 0.29 C ATOM 2775 C LEU B 72 7.485 -2.389 9.306 1.00 0.31 C ATOM 2776 O LEU B 72 7.817 -2.643 8.147 1.00 0.44 O ATOM 2777 CB LEU B 72 7.168 -4.749 10.076 1.00 0.35 C ATOM 2778 CG LEU B 72 8.439 -4.925 10.906 1.00 0.44 C ATOM 2779 CD1 LEU B 72 8.120 -4.852 12.390 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.116 -6.245 10.567 1.00 1.05 C ATOM 0 H LEU B 72 5.249 -3.437 8.468 1.00 0.27 H new ATOM 0 HA LEU B 72 6.498 -2.999 11.112 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.413 -5.442 10.446 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.384 -5.033 9.046 1.00 0.35 H new ATOM 0 HG LEU B 72 9.126 -4.114 10.664 1.00 0.44 H new ATOM 0 HD11 LEU B 72 9.037 -4.979 12.966 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.679 -3.882 12.620 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.415 -5.642 12.650 1.00 1.37 H new ATOM 0 HD21 LEU B 72 10.020 -6.355 11.167 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.435 -7.069 10.782 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.379 -6.258 9.509 1.00 1.05 H new ATOM 2792 N SER B 73 7.866 -1.291 9.935 1.00 0.27 N ATOM 2793 CA SER B 73 8.726 -0.308 9.298 1.00 0.33 C ATOM 2794 C SER B 73 10.186 -0.553 9.662 1.00 0.28 C ATOM 2795 O SER B 73 10.531 -0.676 10.838 1.00 0.31 O ATOM 2796 CB SER B 73 8.304 1.101 9.716 1.00 0.48 C ATOM 2797 OG SER B 73 6.924 1.313 9.459 1.00 1.38 O ATOM 0 H SER B 73 7.593 -1.057 10.889 1.00 0.27 H new ATOM 0 HA SER B 73 8.624 -0.404 8.217 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.507 1.246 10.777 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.897 1.838 9.174 1.00 0.48 H new ATOM 0 HG SER B 73 6.675 2.220 9.735 1.00 1.38 H new ATOM 2803 N VAL B 74 11.036 -0.629 8.650 1.00 0.29 N ATOM 2804 CA VAL B 74 12.457 -0.861 8.855 1.00 0.28 C ATOM 2805 C VAL B 74 13.280 0.262 8.229 1.00 0.23 C ATOM 2806 O VAL B 74 13.011 0.693 7.108 1.00 0.24 O ATOM 2807 CB VAL B 74 12.894 -2.231 8.274 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.476 -2.371 6.816 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.395 -2.437 8.427 1.00 0.41 C ATOM 0 H VAL B 74 10.764 -0.533 7.672 1.00 0.29 H new ATOM 0 HA VAL B 74 12.638 -0.875 9.930 1.00 0.28 H new ATOM 0 HB VAL B 74 12.385 -3.008 8.845 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.796 -3.342 6.437 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.392 -2.291 6.739 1.00 0.35 H new ATOM 0 HG13 VAL B 74 12.940 -1.580 6.227 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.674 -3.405 8.011 1.00 0.41 H new ATOM 0 HG22 VAL B 74 14.927 -1.648 7.896 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.661 -2.406 9.484 1.00 0.41 H new ATOM 2819 N MET B 75 14.263 0.753 8.970 1.00 0.21 N ATOM 2820 CA MET B 75 15.123 1.820 8.487 1.00 0.20 C ATOM 2821 C MET B 75 16.478 1.258 8.083 1.00 0.20 C ATOM 2822 O MET B 75 17.267 0.841 8.930 1.00 0.24 O ATOM 2823 CB MET B 75 15.304 2.899 9.555 1.00 0.26 C ATOM 2824 CG MET B 75 15.998 4.150 9.042 1.00 0.29 C ATOM 2825 SD MET B 75 16.348 5.335 10.357 1.00 0.41 S ATOM 2826 CE MET B 75 17.020 6.705 9.421 1.00 0.41 C ATOM 0 H MET B 75 14.484 0.427 9.911 1.00 0.21 H new ATOM 0 HA MET B 75 14.649 2.273 7.616 1.00 0.20 H new ATOM 0 HB2 MET B 75 14.327 3.173 9.953 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.881 2.487 10.383 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.931 3.869 8.553 1.00 0.29 H new ATOM 0 HG3 MET B 75 15.372 4.625 8.287 1.00 0.29 H new ATOM 0 HE1 MET B 75 16.592 7.639 9.785 1.00 0.41 H new ATOM 0 HE2 MET B 75 18.103 6.731 9.541 1.00 0.41 H new ATOM 0 HE3 MET B 75 16.775 6.580 8.366 1.00 0.41 H new ATOM 2836 N PHE B 76 16.732 1.239 6.789 1.00 0.21 N ATOM 2837 CA PHE B 76 17.987 0.728 6.253 1.00 0.23 C ATOM 2838 C PHE B 76 18.531 1.698 5.215 1.00 0.22 C ATOM 2839 O PHE B 76 17.991 2.787 5.040 1.00 0.21 O ATOM 2840 CB PHE B 76 17.774 -0.657 5.625 1.00 0.26 C ATOM 2841 CG PHE B 76 16.795 -0.658 4.482 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.431 -0.679 4.723 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.239 -0.636 3.169 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.530 -0.674 3.677 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.344 -0.632 2.121 1.00 0.36 C ATOM 2846 CZ PHE B 76 14.986 -0.651 2.374 1.00 0.38 C ATOM 0 H PHE B 76 16.081 1.575 6.079 1.00 0.21 H new ATOM 0 HA PHE B 76 18.708 0.631 7.065 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.732 -1.037 5.271 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.422 -1.345 6.394 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.069 -0.700 5.740 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.299 -0.622 2.965 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.469 -0.688 3.878 1.00 0.37 H new ATOM 0 HE2 PHE B 76 16.704 -0.614 1.103 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.283 -0.648 1.554 1.00 0.38 H new ATOM 2856 N ARG B 77 19.599 1.315 4.533 1.00 0.25 N ATOM 2857 CA ARG B 77 20.173 2.166 3.504 1.00 0.25 C ATOM 2858 C ARG B 77 19.988 1.537 2.131 1.00 0.23 C ATOM 2859 O ARG B 77 20.459 0.430 1.867 1.00 0.26 O ATOM 2860 CB ARG B 77 21.648 2.455 3.776 1.00 0.30 C ATOM 2861 CG ARG B 77 21.871 3.816 4.420 1.00 0.48 C ATOM 2862 CD ARG B 77 23.346 4.141 4.562 1.00 0.63 C ATOM 2863 NE ARG B 77 23.987 3.348 5.608 1.00 1.50 N ATOM 2864 CZ ARG B 77 25.275 3.452 5.931 1.00 1.87 C ATOM 2865 NH1 ARG B 77 26.054 4.312 5.286 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.782 2.694 6.895 1.00 2.97 N ATOM 0 H ARG B 77 20.082 0.428 4.672 1.00 0.25 H new ATOM 0 HA ARG B 77 19.644 3.119 3.523 1.00 0.25 H new ATOM 0 HB2 ARG B 77 22.052 1.679 4.426 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.202 2.406 2.839 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.386 4.585 3.819 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.399 3.834 5.402 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.849 3.961 3.612 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.463 5.201 4.789 1.00 0.63 H new ATOM 0 HE ARG B 77 23.416 2.676 6.120 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.666 4.893 4.543 1.00 1.59 H new ATOM 0 HH12 ARG B 77 27.040 4.392 5.534 1.00 1.59 H new ATOM 0 HH21 ARG B 77 25.185 2.031 7.389 1.00 2.97 H new ATOM 0 HH22 ARG B 77 26.768 2.774 7.141 1.00 2.97 H new ATOM 2880 N PHE B 78 19.289 2.254 1.269 1.00 0.24 N ATOM 2881 CA PHE B 78 19.006 1.791 -0.079 1.00 0.23 C ATOM 2882 C PHE B 78 19.944 2.463 -1.076 1.00 0.21 C ATOM 2883 O PHE B 78 20.387 3.594 -0.855 1.00 0.22 O ATOM 2884 CB PHE B 78 17.548 2.105 -0.425 1.00 0.27 C ATOM 2885 CG PHE B 78 16.966 1.253 -1.519 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.490 -0.020 -1.246 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.881 1.730 -2.816 1.00 0.33 C ATOM 2888 CE1 PHE B 78 15.943 -0.799 -2.248 1.00 0.37 C ATOM 2889 CE2 PHE B 78 16.334 0.957 -3.821 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.863 -0.309 -3.536 1.00 0.33 C ATOM 0 H PHE B 78 18.902 3.173 1.483 1.00 0.24 H new ATOM 0 HA PHE B 78 19.165 0.714 -0.132 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.941 1.985 0.473 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.476 3.152 -0.721 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.547 -0.407 -0.239 1.00 0.34 H new ATOM 0 HD2 PHE B 78 17.247 2.720 -3.045 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.578 -1.790 -2.023 1.00 0.37 H new ATOM 0 HE2 PHE B 78 16.275 1.342 -4.828 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.433 -0.915 -4.319 1.00 0.33 H new ATOM 2900 N ARG B 79 20.250 1.766 -2.160 1.00 0.25 N ATOM 2901 CA ARG B 79 21.133 2.296 -3.186 1.00 0.26 C ATOM 2902 C ARG B 79 20.336 3.025 -4.261 1.00 0.26 C ATOM 2903 O ARG B 79 19.501 2.428 -4.944 1.00 0.36 O ATOM 2904 CB ARG B 79 21.947 1.171 -3.823 1.00 0.36 C ATOM 2905 CG ARG B 79 23.173 1.660 -4.575 1.00 0.33 C ATOM 2906 CD ARG B 79 23.934 0.507 -5.209 1.00 0.56 C ATOM 2907 NE ARG B 79 23.509 0.253 -6.586 1.00 1.04 N ATOM 2908 CZ ARG B 79 23.096 -0.932 -7.035 1.00 1.28 C ATOM 2909 NH1 ARG B 79 22.981 -1.963 -6.206 1.00 1.06 N ATOM 2910 NH2 ARG B 79 22.784 -1.086 -8.316 1.00 2.22 N ATOM 0 H ARG B 79 19.898 0.828 -2.352 1.00 0.25 H new ATOM 0 HA ARG B 79 21.813 3.004 -2.712 1.00 0.26 H new ATOM 0 HB2 ARG B 79 22.261 0.475 -3.045 1.00 0.36 H new ATOM 0 HB3 ARG B 79 21.308 0.615 -4.509 1.00 0.36 H new ATOM 0 HG2 ARG B 79 22.869 2.366 -5.348 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.829 2.199 -3.892 1.00 0.33 H new ATOM 0 HD2 ARG B 79 25.001 0.728 -5.195 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.787 -0.394 -4.613 1.00 0.56 H new ATOM 0 HE ARG B 79 23.530 1.032 -7.244 1.00 1.04 H new ATOM 0 HH11 ARG B 79 23.209 -1.851 -5.218 1.00 1.06 H new ATOM 0 HH12 ARG B 79 22.664 -2.867 -6.557 1.00 1.06 H new ATOM 0 HH21 ARG B 79 22.860 -0.297 -8.958 1.00 2.22 H new ATOM 0 HH22 ARG B 79 22.468 -1.993 -8.658 1.00 2.22 H new ATOM 2924 N SER B 80 20.595 4.314 -4.402 1.00 0.25 N ATOM 2925 CA SER B 80 19.914 5.129 -5.394 1.00 0.33 C ATOM 2926 C SER B 80 20.575 4.974 -6.764 1.00 0.32 C ATOM 2927 O SER B 80 21.536 4.215 -6.918 1.00 0.32 O ATOM 2928 CB SER B 80 19.935 6.590 -4.951 1.00 0.46 C ATOM 2929 OG SER B 80 20.935 6.804 -3.970 1.00 1.06 O ATOM 0 H SER B 80 21.277 4.821 -3.838 1.00 0.25 H new ATOM 0 HA SER B 80 18.880 4.796 -5.481 1.00 0.33 H new ATOM 0 HB2 SER B 80 20.120 7.233 -5.812 1.00 0.46 H new ATOM 0 HB3 SER B 80 18.960 6.867 -4.550 1.00 0.46 H new ATOM 0 HG SER B 80 20.663 6.382 -3.128 1.00 1.06 H new ATOM 2935 N LYS B 81 20.065 5.702 -7.756 1.00 0.35 N ATOM 2936 CA LYS B 81 20.601 5.642 -9.115 1.00 0.37 C ATOM 2937 C LYS B 81 22.050 6.133 -9.166 1.00 0.40 C ATOM 2938 O LYS B 81 22.795 5.809 -10.091 1.00 0.48 O ATOM 2939 CB LYS B 81 19.731 6.475 -10.063 1.00 0.41 C ATOM 2940 CG LYS B 81 20.021 6.232 -11.536 1.00 0.45 C ATOM 2941 CD LYS B 81 19.495 4.882 -11.998 1.00 0.47 C ATOM 2942 CE LYS B 81 20.159 4.437 -13.291 1.00 0.67 C ATOM 2943 NZ LYS B 81 19.244 3.626 -14.136 1.00 1.69 N ATOM 0 H LYS B 81 19.279 6.342 -7.644 1.00 0.35 H new ATOM 0 HA LYS B 81 20.587 4.600 -9.435 1.00 0.37 H new ATOM 0 HB2 LYS B 81 18.682 6.253 -9.868 1.00 0.41 H new ATOM 0 HB3 LYS B 81 19.880 7.532 -9.843 1.00 0.41 H new ATOM 0 HG2 LYS B 81 19.566 7.023 -12.132 1.00 0.45 H new ATOM 0 HG3 LYS B 81 21.096 6.282 -11.708 1.00 0.45 H new ATOM 0 HD2 LYS B 81 19.672 4.137 -11.222 1.00 0.47 H new ATOM 0 HD3 LYS B 81 18.416 4.941 -12.144 1.00 0.47 H new ATOM 0 HE2 LYS B 81 20.488 5.313 -13.850 1.00 0.67 H new ATOM 0 HE3 LYS B 81 21.050 3.854 -13.059 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 19.639 3.543 -15.095 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 19.138 2.678 -13.722 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 18.314 4.089 -14.183 1.00 1.69 H new ATOM 2957 N ASN B 82 22.450 6.908 -8.165 1.00 0.39 N ATOM 2958 CA ASN B 82 23.812 7.436 -8.103 1.00 0.45 C ATOM 2959 C ASN B 82 24.721 6.484 -7.333 1.00 0.43 C ATOM 2960 O ASN B 82 25.867 6.818 -7.021 1.00 0.50 O ATOM 2961 CB ASN B 82 23.829 8.815 -7.438 1.00 0.53 C ATOM 2962 CG ASN B 82 22.861 9.791 -8.079 1.00 0.95 C ATOM 2963 OD1 ASN B 82 22.577 9.713 -9.275 1.00 1.75 O ATOM 2964 ND2 ASN B 82 22.341 10.711 -7.286 1.00 0.81 N ATOM 0 H ASN B 82 21.854 7.186 -7.385 1.00 0.39 H new ATOM 0 HA ASN B 82 24.181 7.532 -9.124 1.00 0.45 H new ATOM 0 HB2 ASN B 82 23.582 8.707 -6.382 1.00 0.53 H new ATOM 0 HB3 ASN B 82 24.838 9.225 -7.489 1.00 0.53 H new ATOM 0 HD21 ASN B 82 21.678 11.391 -7.659 1.00 0.81 H new ATOM 0 HD22 ASN B 82 22.602 10.742 -6.301 1.00 0.81 H new ATOM 2971 N GLN B 83 24.185 5.307 -7.014 1.00 0.37 N ATOM 2972 CA GLN B 83 24.913 4.270 -6.281 1.00 0.40 C ATOM 2973 C GLN B 83 25.244 4.707 -4.855 1.00 0.37 C ATOM 2974 O GLN B 83 26.115 4.127 -4.207 1.00 0.46 O ATOM 2975 CB GLN B 83 26.192 3.866 -7.024 1.00 0.53 C ATOM 2976 CG GLN B 83 26.078 2.546 -7.770 1.00 0.63 C ATOM 2977 CD GLN B 83 24.999 2.563 -8.833 1.00 0.90 C ATOM 2978 OE1 GLN B 83 23.853 2.179 -8.580 1.00 1.62 O ATOM 2979 NE2 GLN B 83 25.353 3.013 -10.025 1.00 0.87 N ATOM 0 H GLN B 83 23.230 5.044 -7.257 1.00 0.37 H new ATOM 0 HA GLN B 83 24.256 3.402 -6.219 1.00 0.40 H new ATOM 0 HB2 GLN B 83 26.453 4.652 -7.733 1.00 0.53 H new ATOM 0 HB3 GLN B 83 27.011 3.798 -6.308 1.00 0.53 H new ATOM 0 HG2 GLN B 83 27.036 2.313 -8.235 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.867 1.748 -7.058 1.00 0.63 H new ATOM 0 HE21 GLN B 83 26.311 3.320 -10.190 1.00 0.87 H new ATOM 0 HE22 GLN B 83 24.668 3.053 -10.779 1.00 0.87 H new ATOM 2988 N GLU B 84 24.549 5.727 -4.368 1.00 0.37 N ATOM 2989 CA GLU B 84 24.766 6.208 -3.012 1.00 0.38 C ATOM 2990 C GLU B 84 23.823 5.482 -2.061 1.00 0.31 C ATOM 2991 O GLU B 84 22.863 4.846 -2.501 1.00 0.42 O ATOM 2992 CB GLU B 84 24.583 7.728 -2.920 1.00 0.53 C ATOM 2993 CG GLU B 84 23.597 8.301 -3.924 1.00 1.22 C ATOM 2994 CD GLU B 84 23.335 9.778 -3.706 1.00 2.08 C ATOM 2995 OE1 GLU B 84 23.288 10.212 -2.536 1.00 2.45 O ATOM 2996 OE2 GLU B 84 23.156 10.510 -4.700 1.00 2.78 O ATOM 0 H GLU B 84 23.834 6.234 -4.890 1.00 0.37 H new ATOM 0 HA GLU B 84 25.796 5.995 -2.725 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.248 7.982 -1.914 1.00 0.53 H new ATOM 0 HB3 GLU B 84 25.551 8.208 -3.064 1.00 0.53 H new ATOM 0 HG2 GLU B 84 23.981 8.149 -4.933 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.656 7.755 -3.856 1.00 1.22 H new ATOM 3003 N TRP B 85 24.093 5.571 -0.768 1.00 0.32 N ATOM 3004 CA TRP B 85 23.278 4.882 0.218 1.00 0.33 C ATOM 3005 C TRP B 85 22.440 5.855 1.037 1.00 0.33 C ATOM 3006 O TRP B 85 22.956 6.560 1.905 1.00 0.45 O ATOM 3007 CB TRP B 85 24.175 4.053 1.142 1.00 0.41 C ATOM 3008 CG TRP B 85 25.210 3.253 0.408 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.540 3.541 0.288 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.997 2.035 -0.311 1.00 0.50 C ATOM 3011 NE1 TRP B 85 27.164 2.576 -0.464 1.00 0.63 N ATOM 3012 CE2 TRP B 85 26.239 1.640 -0.842 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.877 1.240 -0.557 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 26.390 0.487 -1.606 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 24.028 0.093 -1.310 1.00 1.10 C ATOM 3016 CH2 TRP B 85 25.276 -0.274 -1.827 1.00 0.97 C ATOM 0 H TRP B 85 24.866 6.111 -0.379 1.00 0.32 H new ATOM 0 HA TRP B 85 22.591 4.224 -0.314 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.674 4.720 1.846 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.553 3.377 1.729 1.00 0.41 H new ATOM 0 HD1 TRP B 85 27.029 4.401 0.721 1.00 0.66 H new ATOM 0 HE1 TRP B 85 28.156 2.559 -0.702 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.909 1.517 -0.165 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 27.351 0.204 -2.009 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 23.169 -0.532 -1.504 1.00 1.10 H new ATOM 0 HH2 TRP B 85 25.361 -1.177 -2.413 1.00 0.97 H new ATOM 3027 N LEU B 86 21.144 5.883 0.767 1.00 0.28 N ATOM 3028 CA LEU B 86 20.234 6.762 1.489 1.00 0.29 C ATOM 3029 C LEU B 86 19.466 5.975 2.541 1.00 0.26 C ATOM 3030 O LEU B 86 19.208 4.783 2.369 1.00 0.28 O ATOM 3031 CB LEU B 86 19.262 7.456 0.524 1.00 0.34 C ATOM 3032 CG LEU B 86 18.577 6.543 -0.499 1.00 0.42 C ATOM 3033 CD1 LEU B 86 17.267 5.996 0.051 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.336 7.296 -1.798 1.00 1.03 C ATOM 0 H LEU B 86 20.698 5.307 0.053 1.00 0.28 H new ATOM 0 HA LEU B 86 20.824 7.531 1.987 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.491 7.956 1.111 1.00 0.34 H new ATOM 0 HB3 LEU B 86 19.806 8.232 -0.015 1.00 0.34 H new ATOM 0 HG LEU B 86 19.237 5.699 -0.700 1.00 0.42 H new ATOM 0 HD11 LEU B 86 16.801 5.351 -0.694 1.00 0.96 H new ATOM 0 HD12 LEU B 86 17.464 5.421 0.956 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.597 6.823 0.285 1.00 0.96 H new ATOM 0 HD21 LEU B 86 17.849 6.636 -2.516 1.00 1.03 H new ATOM 0 HD22 LEU B 86 17.697 8.158 -1.606 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.289 7.634 -2.205 1.00 1.03 H new ATOM 3046 N TRP B 87 19.109 6.637 3.628 1.00 0.28 N ATOM 3047 CA TRP B 87 18.366 5.996 4.699 1.00 0.29 C ATOM 3048 C TRP B 87 16.886 5.969 4.355 1.00 0.29 C ATOM 3049 O TRP B 87 16.266 7.015 4.142 1.00 0.39 O ATOM 3050 CB TRP B 87 18.591 6.723 6.024 1.00 0.33 C ATOM 3051 CG TRP B 87 19.967 6.523 6.581 1.00 0.38 C ATOM 3052 CD1 TRP B 87 21.083 7.252 6.291 1.00 0.47 C ATOM 3053 CD2 TRP B 87 20.372 5.532 7.531 1.00 0.40 C ATOM 3054 NE1 TRP B 87 22.158 6.770 6.998 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.747 5.717 7.768 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.706 4.505 8.204 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 22.464 4.917 8.653 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 20.419 3.711 9.080 1.00 0.50 C ATOM 3059 CH2 TRP B 87 21.786 3.921 9.298 1.00 0.53 C ATOM 0 H TRP B 87 19.322 7.621 3.792 1.00 0.28 H new ATOM 0 HA TRP B 87 18.725 4.973 4.809 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.416 7.789 5.880 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.858 6.375 6.751 1.00 0.33 H new ATOM 0 HD1 TRP B 87 21.117 8.086 5.606 1.00 0.47 H new ATOM 0 HE1 TRP B 87 23.108 7.138 6.956 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.652 4.335 8.042 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 23.518 5.078 8.824 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.914 2.914 9.606 1.00 0.50 H new ATOM 0 HH2 TRP B 87 22.315 3.283 9.990 1.00 0.53 H new ATOM 3070 N MET B 88 16.329 4.775 4.300 1.00 0.31 N ATOM 3071 CA MET B 88 14.931 4.602 3.957 1.00 0.39 C ATOM 3072 C MET B 88 14.179 3.857 5.054 1.00 0.37 C ATOM 3073 O MET B 88 14.580 2.767 5.468 1.00 0.40 O ATOM 3074 CB MET B 88 14.815 3.839 2.636 1.00 0.52 C ATOM 3075 CG MET B 88 13.427 3.887 2.025 1.00 0.73 C ATOM 3076 SD MET B 88 13.360 4.882 0.521 1.00 1.53 S ATOM 3077 CE MET B 88 14.271 3.838 -0.613 1.00 0.91 C ATOM 0 H MET B 88 16.827 3.905 4.490 1.00 0.31 H new ATOM 0 HA MET B 88 14.482 5.589 3.852 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.530 4.251 1.924 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.094 2.798 2.802 1.00 0.52 H new ATOM 0 HG2 MET B 88 13.099 2.872 1.799 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.727 4.293 2.755 1.00 0.73 H new ATOM 0 HE1 MET B 88 14.816 4.460 -1.323 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.976 3.223 -0.054 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.576 3.195 -1.153 1.00 0.91 H new ATOM 3087 N ARG B 89 13.103 4.464 5.533 1.00 0.36 N ATOM 3088 CA ARG B 89 12.263 3.859 6.554 1.00 0.37 C ATOM 3089 C ARG B 89 11.054 3.237 5.865 1.00 0.36 C ATOM 3090 O ARG B 89 9.954 3.793 5.868 1.00 0.42 O ATOM 3091 CB ARG B 89 11.819 4.903 7.582 1.00 0.44 C ATOM 3092 CG ARG B 89 11.197 4.304 8.832 1.00 0.58 C ATOM 3093 CD ARG B 89 9.902 5.009 9.205 1.00 0.97 C ATOM 3094 NE ARG B 89 8.809 4.674 8.290 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.530 4.593 8.656 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.176 4.833 9.913 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.602 4.267 7.765 1.00 3.80 N ATOM 0 H ARG B 89 12.790 5.385 5.226 1.00 0.36 H new ATOM 0 HA ARG B 89 12.824 3.093 7.090 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.680 5.506 7.869 1.00 0.44 H new ATOM 0 HB3 ARG B 89 11.099 5.576 7.116 1.00 0.44 H new ATOM 0 HG2 ARG B 89 11.001 3.244 8.670 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.902 4.375 9.660 1.00 0.58 H new ATOM 0 HD2 ARG B 89 9.620 4.735 10.222 1.00 0.97 H new ATOM 0 HD3 ARG B 89 10.062 6.087 9.199 1.00 0.97 H new ATOM 0 HE ARG B 89 9.040 4.492 7.313 1.00 2.01 H new ATOM 0 HH11 ARG B 89 7.884 5.081 10.604 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.196 4.770 10.188 1.00 2.41 H new ATOM 0 HH21 ARG B 89 6.867 4.078 6.798 1.00 3.80 H new ATOM 0 HH22 ARG B 89 5.624 4.205 8.047 1.00 3.80 H new ATOM 3111 N THR B 90 11.283 2.095 5.253 1.00 0.33 N ATOM 3112 CA THR B 90 10.259 1.391 4.507 1.00 0.34 C ATOM 3113 C THR B 90 9.284 0.630 5.406 1.00 0.31 C ATOM 3114 O THR B 90 9.681 -0.235 6.188 1.00 0.34 O ATOM 3115 CB THR B 90 10.927 0.415 3.529 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.056 1.058 2.920 1.00 0.43 O ATOM 3117 CG2 THR B 90 9.955 -0.041 2.456 1.00 0.43 C ATOM 0 H THR B 90 12.189 1.626 5.258 1.00 0.33 H new ATOM 0 HA THR B 90 9.677 2.139 3.969 1.00 0.34 H new ATOM 0 HB THR B 90 11.251 -0.465 4.084 1.00 0.38 H new ATOM 0 HG1 THR B 90 11.939 1.072 1.947 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.458 -0.731 1.779 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.107 -0.543 2.922 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.600 0.824 1.895 1.00 0.43 H new ATOM 3125 N SER B 91 8.008 0.977 5.295 1.00 0.28 N ATOM 3126 CA SER B 91 6.955 0.317 6.051 1.00 0.27 C ATOM 3127 C SER B 91 6.428 -0.870 5.249 1.00 0.23 C ATOM 3128 O SER B 91 5.902 -0.694 4.152 1.00 0.28 O ATOM 3129 CB SER B 91 5.830 1.311 6.339 1.00 0.36 C ATOM 3130 OG SER B 91 5.879 2.403 5.431 1.00 0.97 O ATOM 0 H SER B 91 7.676 1.721 4.681 1.00 0.28 H new ATOM 0 HA SER B 91 7.351 -0.045 7.000 1.00 0.27 H new ATOM 0 HB2 SER B 91 4.866 0.809 6.260 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.915 1.678 7.362 1.00 0.36 H new ATOM 0 HG SER B 91 5.150 3.027 5.630 1.00 0.97 H new ATOM 3136 N SER B 92 6.585 -2.070 5.783 1.00 0.23 N ATOM 3137 CA SER B 92 6.146 -3.270 5.086 1.00 0.28 C ATOM 3138 C SER B 92 4.846 -3.826 5.666 1.00 0.26 C ATOM 3139 O SER B 92 4.602 -3.741 6.868 1.00 0.36 O ATOM 3140 CB SER B 92 7.247 -4.327 5.156 1.00 0.36 C ATOM 3141 OG SER B 92 8.510 -3.757 4.847 1.00 1.27 O ATOM 0 H SER B 92 7.012 -2.240 6.694 1.00 0.23 H new ATOM 0 HA SER B 92 5.949 -3.004 4.047 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.274 -4.765 6.154 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.027 -5.135 4.459 1.00 0.36 H new ATOM 0 HG SER B 92 8.646 -3.769 3.876 1.00 1.27 H new ATOM 3147 N PHE B 93 4.016 -4.381 4.794 1.00 0.25 N ATOM 3148 CA PHE B 93 2.748 -4.977 5.189 1.00 0.27 C ATOM 3149 C PHE B 93 2.509 -6.240 4.366 1.00 0.25 C ATOM 3150 O PHE B 93 2.645 -6.224 3.141 1.00 0.25 O ATOM 3151 CB PHE B 93 1.603 -3.978 4.984 1.00 0.33 C ATOM 3152 CG PHE B 93 0.299 -4.394 5.611 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.585 -5.220 4.932 1.00 0.35 C ATOM 3154 CD2 PHE B 93 -0.046 -3.951 6.876 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.784 -5.596 5.505 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -1.244 -4.324 7.454 1.00 0.54 C ATOM 3157 CZ PHE B 93 -2.114 -5.147 6.768 1.00 0.50 C ATOM 0 H PHE B 93 4.203 -4.431 3.793 1.00 0.25 H new ATOM 0 HA PHE B 93 2.784 -5.238 6.247 1.00 0.27 H new ATOM 0 HB2 PHE B 93 1.900 -3.013 5.396 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.449 -3.834 3.915 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.332 -5.573 3.943 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.630 -3.306 7.418 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.462 -6.240 4.966 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.500 -3.972 8.442 1.00 0.54 H new ATOM 0 HZ PHE B 93 -3.051 -5.439 7.218 1.00 0.50 H new ATOM 3167 N THR B 94 2.170 -7.330 5.037 1.00 0.30 N ATOM 3168 CA THR B 94 1.929 -8.598 4.366 1.00 0.31 C ATOM 3169 C THR B 94 0.530 -8.668 3.753 1.00 0.33 C ATOM 3170 O THR B 94 -0.471 -8.691 4.470 1.00 0.37 O ATOM 3171 CB THR B 94 2.111 -9.767 5.349 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.344 -9.259 6.674 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.274 -10.653 4.928 1.00 0.37 C ATOM 0 H THR B 94 2.055 -7.362 6.050 1.00 0.30 H new ATOM 0 HA THR B 94 2.657 -8.674 3.559 1.00 0.31 H new ATOM 0 HB THR B 94 1.200 -10.365 5.343 1.00 0.38 H new ATOM 0 HG1 THR B 94 3.081 -9.754 7.089 1.00 0.59 H new ATOM 0 HG21 THR B 94 3.383 -11.472 5.638 1.00 0.37 H new ATOM 0 HG22 THR B 94 3.082 -11.057 3.934 1.00 0.37 H new ATOM 0 HG23 THR B 94 4.191 -10.065 4.909 1.00 0.37 H new ATOM 3181 N PHE B 95 0.474 -8.697 2.424 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.791 -8.784 1.702 1.00 0.41 C ATOM 3183 C PHE B 95 -1.169 -10.248 1.509 1.00 0.45 C ATOM 3184 O PHE B 95 -0.649 -10.924 0.617 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.681 -8.093 0.339 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.451 -6.809 0.236 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -0.881 -5.609 0.625 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -2.741 -6.804 -0.263 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -1.587 -4.426 0.520 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -3.452 -5.625 -0.371 1.00 0.98 C ATOM 3191 CZ PHE B 95 -2.875 -4.434 0.021 1.00 0.78 C ATOM 0 H PHE B 95 1.297 -8.661 1.822 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.563 -8.281 2.285 1.00 0.41 H new ATOM 0 HB2 PHE B 95 0.370 -7.891 0.130 1.00 0.48 H new ATOM 0 HB3 PHE B 95 -1.033 -8.778 -0.432 1.00 0.48 H new ATOM 0 HD1 PHE B 95 0.126 -5.597 1.015 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -3.197 -7.733 -0.572 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -1.132 -3.496 0.828 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -4.459 -5.635 -0.762 1.00 0.98 H new ATOM 0 HZ PHE B 95 -3.429 -3.511 -0.062 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.062 -10.738 2.351 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.486 -12.129 2.286 1.00 0.56 C ATOM 3203 C GLN B 96 -3.968 -12.236 1.967 1.00 0.63 C ATOM 3204 O GLN B 96 -4.787 -11.502 2.523 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.176 -12.826 3.612 1.00 0.60 C ATOM 3206 CG GLN B 96 -0.720 -12.689 4.029 1.00 0.74 C ATOM 3207 CD GLN B 96 -0.487 -12.973 5.499 1.00 0.88 C ATOM 3208 OE1 GLN B 96 0.382 -12.369 6.123 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -1.241 -13.906 6.059 1.00 0.91 N ATOM 0 H GLN B 96 -2.509 -10.194 3.089 1.00 0.51 H new ATOM 0 HA GLN B 96 -1.936 -12.620 1.484 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -2.813 -12.409 4.393 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -2.426 -13.884 3.527 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -0.113 -13.372 3.434 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.378 -11.679 3.803 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -1.953 -14.386 5.508 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -1.110 -14.145 7.042 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.302 -13.146 1.063 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.686 -13.368 0.665 1.00 0.91 C ATOM 3220 C ASN B 97 -6.454 -14.010 1.814 1.00 0.97 C ATOM 3221 O ASN B 97 -6.059 -15.066 2.312 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.746 -14.263 -0.577 1.00 1.06 C ATOM 3223 CG ASN B 97 -7.099 -14.223 -1.268 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -7.745 -13.179 -1.331 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -7.532 -15.356 -1.798 1.00 1.65 N ATOM 0 H ASN B 97 -3.628 -13.747 0.588 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.143 -12.409 0.422 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -4.974 -13.952 -1.281 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -5.520 -15.290 -0.290 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -8.431 -15.383 -2.279 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -6.967 -16.202 -1.725 1.00 1.65 H new ATOM 3232 N PRO B 98 -7.564 -13.385 2.243 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.385 -13.880 3.360 1.00 1.28 C ATOM 3234 C PRO B 98 -9.215 -15.120 3.012 1.00 1.35 C ATOM 3235 O PRO B 98 -10.346 -15.273 3.477 1.00 1.41 O ATOM 3236 CB PRO B 98 -9.300 -12.692 3.666 1.00 1.50 C ATOM 3237 CG PRO B 98 -9.427 -11.967 2.374 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.107 -12.136 1.673 1.00 1.26 C ATOM 0 HA PRO B 98 -7.766 -14.203 4.197 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -10.272 -13.025 4.030 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -8.873 -12.052 4.438 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.242 -12.375 1.776 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -9.649 -10.913 2.538 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.234 -12.211 0.593 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -7.444 -11.290 1.858 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.646 -16.013 2.221 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.333 -17.233 1.828 1.00 1.52 C ATOM 3248 C TYR B 99 -8.578 -18.449 2.341 1.00 1.54 C ATOM 3249 O TYR B 99 -9.020 -19.122 3.272 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.473 -17.305 0.308 1.00 1.68 C ATOM 3251 CG TYR B 99 -10.624 -16.493 -0.233 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -10.537 -15.112 -0.347 1.00 1.83 C ATOM 3253 CD2 TYR B 99 -11.797 -17.113 -0.635 1.00 2.26 C ATOM 3254 CE1 TYR B 99 -11.588 -14.374 -0.847 1.00 2.10 C ATOM 3255 CE2 TYR B 99 -12.853 -16.382 -1.135 1.00 2.61 C ATOM 3256 CZ TYR B 99 -12.744 -15.015 -1.240 1.00 2.50 C ATOM 3257 OH TYR B 99 -13.794 -14.286 -1.743 1.00 2.90 O ATOM 0 H TYR B 99 -7.706 -15.916 1.836 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.330 -17.224 2.268 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.547 -16.957 -0.150 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -9.604 -18.346 0.013 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -9.632 -14.609 -0.039 1.00 1.83 H new ATOM 0 HD2 TYR B 99 -11.885 -18.186 -0.555 1.00 2.26 H new ATOM 0 HE1 TYR B 99 -11.507 -13.300 -0.931 1.00 2.10 H new ATOM 0 HE2 TYR B 99 -13.761 -16.880 -1.443 1.00 2.61 H new ATOM 0 HH TYR B 99 -14.295 -13.881 -1.004 1.00 2.90 H new ATOM 3267 N SER B 100 -7.437 -18.717 1.731 1.00 1.37 N ATOM 3268 CA SER B 100 -6.603 -19.838 2.120 1.00 1.42 C ATOM 3269 C SER B 100 -5.277 -19.321 2.662 1.00 1.24 C ATOM 3270 O SER B 100 -4.279 -20.042 2.685 1.00 1.29 O ATOM 3271 CB SER B 100 -6.364 -20.753 0.918 1.00 1.52 C ATOM 3272 OG SER B 100 -7.425 -20.644 -0.019 1.00 2.27 O ATOM 0 H SER B 100 -7.065 -18.167 0.957 1.00 1.37 H new ATOM 0 HA SER B 100 -7.107 -20.411 2.898 1.00 1.42 H new ATOM 0 HB2 SER B 100 -5.421 -20.491 0.438 1.00 1.52 H new ATOM 0 HB3 SER B 100 -6.275 -21.786 1.254 1.00 1.52 H new ATOM 0 HG SER B 100 -7.251 -21.236 -0.780 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.289 -18.054 3.081 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.110 -17.387 3.631 1.00 0.96 C ATOM 3280 C ASP B 101 -2.977 -17.360 2.610 1.00 0.87 C ATOM 3281 O ASP B 101 -1.813 -17.600 2.936 1.00 0.91 O ATOM 3282 CB ASP B 101 -3.654 -18.070 4.926 1.00 1.15 C ATOM 3283 CG ASP B 101 -2.733 -17.195 5.751 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.021 -15.986 5.886 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -1.726 -17.717 6.279 1.00 2.06 O ATOM 0 H ASP B 101 -6.119 -17.462 3.048 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.382 -16.358 3.865 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -4.528 -18.334 5.521 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.142 -19.001 4.681 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.329 -17.078 1.363 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.346 -17.018 0.292 1.00 0.85 C ATOM 3292 C GLU B 102 -1.655 -15.663 0.287 1.00 0.72 C ATOM 3293 O GLU B 102 -2.276 -14.643 -0.018 1.00 0.72 O ATOM 3294 CB GLU B 102 -2.999 -17.261 -1.071 1.00 1.03 C ATOM 3295 CG GLU B 102 -4.056 -18.349 -1.059 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.460 -17.789 -1.111 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.971 -17.364 -0.058 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -6.056 -17.770 -2.209 1.00 1.82 O ATOM 0 H GLU B 102 -4.287 -16.888 1.069 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.610 -17.802 0.471 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -3.452 -16.332 -1.417 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -2.226 -17.527 -1.792 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -3.901 -19.012 -1.910 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.942 -18.953 -0.159 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.382 -15.649 0.647 1.00 0.68 N ATOM 3306 CA ILE B 103 0.380 -14.410 0.664 1.00 0.59 C ATOM 3307 C ILE B 103 0.723 -14.000 -0.762 1.00 0.61 C ATOM 3308 O ILE B 103 1.668 -14.521 -1.354 1.00 0.74 O ATOM 3309 CB ILE B 103 1.681 -14.542 1.485 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.396 -15.200 2.839 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.325 -13.175 1.677 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.636 -15.442 3.676 1.00 0.99 C ATOM 0 H ILE B 103 0.144 -16.476 0.930 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.240 -13.649 1.138 1.00 0.59 H new ATOM 0 HB ILE B 103 2.376 -15.177 0.936 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.707 -14.569 3.401 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.891 -16.151 2.671 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.241 -13.283 2.257 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.560 -12.744 0.704 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.635 -12.519 2.207 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.353 -15.910 4.619 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.318 -16.099 3.135 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.131 -14.492 3.877 1.00 0.99 H new ATOM 3324 N GLU B 104 -0.065 -13.086 -1.314 1.00 0.54 N ATOM 3325 CA GLU B 104 0.145 -12.615 -2.675 1.00 0.59 C ATOM 3326 C GLU B 104 1.469 -11.871 -2.793 1.00 0.51 C ATOM 3327 O GLU B 104 2.284 -12.170 -3.667 1.00 0.56 O ATOM 3328 CB GLU B 104 -1.004 -11.705 -3.114 1.00 0.69 C ATOM 3329 CG GLU B 104 -2.269 -12.455 -3.510 1.00 0.85 C ATOM 3330 CD GLU B 104 -3.184 -11.627 -4.393 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -2.773 -11.280 -5.521 1.00 1.33 O ATOM 3332 OE2 GLU B 104 -4.320 -11.320 -3.967 1.00 1.44 O ATOM 0 H GLU B 104 -0.858 -12.656 -0.837 1.00 0.54 H new ATOM 0 HA GLU B 104 0.175 -13.486 -3.330 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -1.240 -11.017 -2.302 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -0.673 -11.100 -3.958 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -1.995 -13.371 -4.034 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -2.808 -12.751 -2.610 1.00 0.85 H new ATOM 3339 N TYR B 105 1.685 -10.908 -1.904 1.00 0.42 N ATOM 3340 CA TYR B 105 2.909 -10.123 -1.920 1.00 0.40 C ATOM 3341 C TYR B 105 3.057 -9.310 -0.642 1.00 0.33 C ATOM 3342 O TYR B 105 2.185 -9.320 0.224 1.00 0.37 O ATOM 3343 CB TYR B 105 2.942 -9.187 -3.141 1.00 0.46 C ATOM 3344 CG TYR B 105 1.670 -8.386 -3.361 1.00 0.47 C ATOM 3345 CD1 TYR B 105 1.459 -7.175 -2.710 1.00 0.45 C ATOM 3346 CD2 TYR B 105 0.681 -8.843 -4.226 1.00 0.59 C ATOM 3347 CE1 TYR B 105 0.299 -6.449 -2.914 1.00 0.55 C ATOM 3348 CE2 TYR B 105 -0.478 -8.122 -4.433 1.00 0.67 C ATOM 3349 CZ TYR B 105 -0.664 -6.927 -3.776 1.00 0.65 C ATOM 3350 OH TYR B 105 -1.819 -6.209 -3.981 1.00 0.77 O ATOM 0 H TYR B 105 1.029 -10.654 -1.166 1.00 0.42 H new ATOM 0 HA TYR B 105 3.745 -10.820 -1.986 1.00 0.40 H new ATOM 0 HB2 TYR B 105 3.776 -8.495 -3.029 1.00 0.46 H new ATOM 0 HB3 TYR B 105 3.139 -9.782 -4.033 1.00 0.46 H new ATOM 0 HD1 TYR B 105 2.212 -6.796 -2.035 1.00 0.45 H new ATOM 0 HD2 TYR B 105 0.822 -9.779 -4.745 1.00 0.59 H new ATOM 0 HE1 TYR B 105 0.149 -5.511 -2.400 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -1.235 -8.494 -5.107 1.00 0.67 H new ATOM 0 HH TYR B 105 -1.796 -5.391 -3.441 1.00 0.77 H new ATOM 3360 N ILE B 106 4.174 -8.616 -0.538 1.00 0.26 N ATOM 3361 CA ILE B 106 4.463 -7.773 0.604 1.00 0.25 C ATOM 3362 C ILE B 106 4.595 -6.333 0.135 1.00 0.26 C ATOM 3363 O ILE B 106 5.516 -6.001 -0.618 1.00 0.28 O ATOM 3364 CB ILE B 106 5.766 -8.199 1.318 1.00 0.26 C ATOM 3365 CG1 ILE B 106 5.733 -9.691 1.659 1.00 0.31 C ATOM 3366 CG2 ILE B 106 5.976 -7.370 2.577 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.046 -10.220 2.197 1.00 0.36 C ATOM 0 H ILE B 106 4.908 -8.622 -1.246 1.00 0.26 H new ATOM 0 HA ILE B 106 3.644 -7.874 1.316 1.00 0.25 H new ATOM 0 HB ILE B 106 6.602 -8.021 0.641 1.00 0.26 H new ATOM 0 HG12 ILE B 106 4.950 -9.869 2.396 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.463 -10.253 0.765 1.00 0.31 H new ATOM 0 HG21 ILE B 106 6.898 -7.682 3.069 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.046 -6.315 2.311 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.135 -7.518 3.255 1.00 0.30 H new ATOM 0 HD11 ILE B 106 6.947 -11.283 2.416 1.00 0.36 H new ATOM 0 HD12 ILE B 106 7.829 -10.074 1.453 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.308 -9.684 3.109 1.00 0.36 H new ATOM 3379 N ILE B 107 3.667 -5.489 0.546 1.00 0.29 N ATOM 3380 CA ILE B 107 3.703 -4.093 0.156 1.00 0.34 C ATOM 3381 C ILE B 107 4.645 -3.323 1.073 1.00 0.40 C ATOM 3382 O ILE B 107 4.705 -3.581 2.275 1.00 0.52 O ATOM 3383 CB ILE B 107 2.295 -3.453 0.172 1.00 0.44 C ATOM 3384 CG1 ILE B 107 2.337 -2.061 -0.462 1.00 0.46 C ATOM 3385 CG2 ILE B 107 1.744 -3.380 1.589 1.00 0.53 C ATOM 3386 CD1 ILE B 107 1.004 -1.345 -0.452 1.00 0.79 C ATOM 0 H ILE B 107 2.883 -5.744 1.147 1.00 0.29 H new ATOM 0 HA ILE B 107 4.071 -4.042 -0.869 1.00 0.34 H new ATOM 0 HB ILE B 107 1.627 -4.084 -0.415 1.00 0.44 H new ATOM 0 HG12 ILE B 107 3.070 -1.453 0.068 1.00 0.46 H new ATOM 0 HG13 ILE B 107 2.683 -2.151 -1.492 1.00 0.46 H new ATOM 0 HG21 ILE B 107 0.753 -2.926 1.571 1.00 0.53 H new ATOM 0 HG22 ILE B 107 1.675 -4.385 2.005 1.00 0.53 H new ATOM 0 HG23 ILE B 107 2.409 -2.776 2.207 1.00 0.53 H new ATOM 0 HD11 ILE B 107 1.114 -0.366 -0.918 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.272 -1.931 -1.007 1.00 0.79 H new ATOM 0 HD13 ILE B 107 0.665 -1.222 0.577 1.00 0.79 H new ATOM 3398 N CYS B 108 5.406 -2.411 0.502 1.00 0.39 N ATOM 3399 CA CYS B 108 6.339 -1.619 1.275 1.00 0.47 C ATOM 3400 C CYS B 108 6.297 -0.159 0.848 1.00 0.37 C ATOM 3401 O CYS B 108 6.356 0.153 -0.341 1.00 0.43 O ATOM 3402 CB CYS B 108 7.756 -2.168 1.109 1.00 0.61 C ATOM 3403 SG CYS B 108 8.009 -3.811 1.818 1.00 1.55 S ATOM 0 H CYS B 108 5.396 -2.200 -0.496 1.00 0.39 H new ATOM 0 HA CYS B 108 6.049 -1.679 2.324 1.00 0.47 H new ATOM 0 HB2 CYS B 108 7.997 -2.203 0.046 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.458 -1.474 1.572 1.00 0.61 H new ATOM 0 HG CYS B 108 8.475 -4.611 0.905 1.00 1.55 H new ATOM 3409 N THR B 109 6.157 0.728 1.814 1.00 0.32 N ATOM 3410 CA THR B 109 6.143 2.149 1.541 1.00 0.29 C ATOM 3411 C THR B 109 7.538 2.718 1.772 1.00 0.26 C ATOM 3412 O THR B 109 7.874 3.128 2.886 1.00 0.27 O ATOM 3413 CB THR B 109 5.135 2.886 2.441 1.00 0.39 C ATOM 3414 OG1 THR B 109 4.270 1.939 3.090 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.304 3.869 1.632 1.00 0.49 C ATOM 0 H THR B 109 6.051 0.486 2.799 1.00 0.32 H new ATOM 0 HA THR B 109 5.840 2.295 0.504 1.00 0.29 H new ATOM 0 HB THR B 109 5.694 3.442 3.194 1.00 0.39 H new ATOM 0 HG1 THR B 109 4.540 1.838 4.027 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.599 4.377 2.290 1.00 0.49 H new ATOM 0 HG22 THR B 109 4.961 4.604 1.167 1.00 0.49 H new ATOM 0 HG23 THR B 109 3.755 3.331 0.859 1.00 0.49 H new ATOM 3423 N ASN B 110 8.360 2.696 0.731 1.00 0.35 N ATOM 3424 CA ASN B 110 9.726 3.199 0.828 1.00 0.40 C ATOM 3425 C ASN B 110 9.724 4.685 1.154 1.00 0.45 C ATOM 3426 O ASN B 110 9.337 5.509 0.329 1.00 0.57 O ATOM 3427 CB ASN B 110 10.498 2.942 -0.467 1.00 0.53 C ATOM 3428 CG ASN B 110 11.144 1.568 -0.497 1.00 1.18 C ATOM 3429 OD1 ASN B 110 12.160 1.331 0.154 1.00 1.84 O ATOM 3430 ND2 ASN B 110 10.563 0.650 -1.253 1.00 1.84 N ATOM 0 H ASN B 110 8.106 2.336 -0.189 1.00 0.35 H new ATOM 0 HA ASN B 110 10.226 2.663 1.635 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.821 3.040 -1.315 1.00 0.53 H new ATOM 0 HB3 ASN B 110 11.268 3.704 -0.584 1.00 0.53 H new ATOM 0 HD21 ASN B 110 10.957 -0.289 -1.309 1.00 1.84 H new ATOM 0 HD22 ASN B 110 9.721 0.882 -1.780 1.00 1.84 H new ATOM 3437 N THR B 111 10.135 5.014 2.368 1.00 0.39 N ATOM 3438 CA THR B 111 10.168 6.393 2.818 1.00 0.41 C ATOM 3439 C THR B 111 11.599 6.887 2.997 1.00 0.38 C ATOM 3440 O THR B 111 12.286 6.488 3.938 1.00 0.43 O ATOM 3441 CB THR B 111 9.421 6.540 4.154 1.00 0.45 C ATOM 3442 OG1 THR B 111 8.166 5.852 4.088 1.00 0.50 O ATOM 3443 CG2 THR B 111 9.187 8.003 4.489 1.00 0.52 C ATOM 0 H THR B 111 10.452 4.338 3.063 1.00 0.39 H new ATOM 0 HA THR B 111 9.680 6.995 2.051 1.00 0.41 H new ATOM 0 HB THR B 111 10.037 6.102 4.940 1.00 0.45 H new ATOM 0 HG1 THR B 111 8.086 5.244 4.852 1.00 0.50 H new ATOM 0 HG21 THR B 111 8.657 8.079 5.438 1.00 0.52 H new ATOM 0 HG22 THR B 111 10.145 8.516 4.567 1.00 0.52 H new ATOM 0 HG23 THR B 111 8.590 8.465 3.703 1.00 0.52 H new ATOM 3451 N ASN B 112 12.056 7.731 2.083 1.00 0.36 N ATOM 3452 CA ASN B 112 13.400 8.287 2.177 1.00 0.36 C ATOM 3453 C ASN B 112 13.416 9.353 3.262 1.00 0.34 C ATOM 3454 O ASN B 112 12.665 10.326 3.194 1.00 0.37 O ATOM 3455 CB ASN B 112 13.848 8.888 0.839 1.00 0.45 C ATOM 3456 CG ASN B 112 15.342 9.175 0.786 1.00 0.39 C ATOM 3457 OD1 ASN B 112 16.009 9.306 1.816 1.00 0.71 O ATOM 3458 ND2 ASN B 112 15.878 9.281 -0.423 1.00 0.42 N ATOM 0 H ASN B 112 11.521 8.045 1.273 1.00 0.36 H new ATOM 0 HA ASN B 112 14.097 7.487 2.428 1.00 0.36 H new ATOM 0 HB2 ASN B 112 13.587 8.202 0.033 1.00 0.45 H new ATOM 0 HB3 ASN B 112 13.299 9.813 0.661 1.00 0.45 H new ATOM 0 HD21 ASN B 112 16.874 9.477 -0.524 1.00 0.42 H new ATOM 0 HD22 ASN B 112 15.294 9.166 -1.252 1.00 0.42 H new ATOM 3465 N VAL B 113 14.261 9.157 4.262 1.00 0.36 N ATOM 3466 CA VAL B 113 14.360 10.092 5.377 1.00 0.44 C ATOM 3467 C VAL B 113 15.026 11.396 4.944 1.00 0.50 C ATOM 3468 O VAL B 113 14.819 12.445 5.559 1.00 0.78 O ATOM 3469 CB VAL B 113 15.145 9.474 6.559 1.00 0.52 C ATOM 3470 CG1 VAL B 113 15.042 10.351 7.800 1.00 0.98 C ATOM 3471 CG2 VAL B 113 14.642 8.070 6.860 1.00 0.83 C ATOM 0 H VAL B 113 14.891 8.357 4.326 1.00 0.36 H new ATOM 0 HA VAL B 113 13.344 10.308 5.707 1.00 0.44 H new ATOM 0 HB VAL B 113 16.194 9.413 6.271 1.00 0.52 H new ATOM 0 HG11 VAL B 113 15.602 9.894 8.616 1.00 0.98 H new ATOM 0 HG12 VAL B 113 15.454 11.337 7.584 1.00 0.98 H new ATOM 0 HG13 VAL B 113 13.996 10.451 8.089 1.00 0.98 H new ATOM 0 HG21 VAL B 113 15.206 7.652 7.694 1.00 0.83 H new ATOM 0 HG22 VAL B 113 13.585 8.111 7.121 1.00 0.83 H new ATOM 0 HG23 VAL B 113 14.774 7.440 5.981 1.00 0.83 H new ATOM 3481 N LYS B 114 15.799 11.341 3.870 1.00 0.66 N ATOM 3482 CA LYS B 114 16.490 12.520 3.381 1.00 0.80 C ATOM 3483 C LYS B 114 15.633 13.258 2.366 1.00 0.96 C ATOM 3484 O LYS B 114 15.224 12.646 1.358 1.00 1.54 O ATOM 3485 CB LYS B 114 17.842 12.150 2.768 1.00 1.37 C ATOM 3486 CG LYS B 114 18.919 13.203 2.987 1.00 1.56 C ATOM 3487 CD LYS B 114 18.748 14.386 2.049 1.00 2.38 C ATOM 3488 CE LYS B 114 18.665 15.701 2.810 1.00 2.81 C ATOM 3489 NZ LYS B 114 17.432 15.796 3.638 1.00 3.21 N ATOM 3490 OXT LYS B 114 15.374 14.458 2.581 1.00 0.67 O ATOM 0 H LYS B 114 15.962 10.495 3.324 1.00 0.66 H new ATOM 0 HA LYS B 114 16.671 13.179 4.230 1.00 0.80 H new ATOM 0 HB2 LYS B 114 18.178 11.205 3.194 1.00 1.37 H new ATOM 0 HB3 LYS B 114 17.714 11.990 1.697 1.00 1.37 H new ATOM 0 HG2 LYS B 114 18.884 13.550 4.020 1.00 1.56 H new ATOM 0 HG3 LYS B 114 19.901 12.756 2.834 1.00 1.56 H new ATOM 0 HD2 LYS B 114 19.585 14.421 1.352 1.00 2.38 H new ATOM 0 HD3 LYS B 114 17.844 14.252 1.455 1.00 2.38 H new ATOM 0 HE2 LYS B 114 19.540 15.803 3.452 1.00 2.81 H new ATOM 0 HE3 LYS B 114 18.690 16.530 2.103 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 17.341 16.761 4.016 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 16.602 15.574 3.052 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 17.490 15.120 4.426 1.00 3.21 H new