USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 716 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 28 LYS NZ :NH3+ -126:sc= -0.785 (180deg=-1.5!) USER MOD Set 1.2: B 32 LYS NZ :NH3+ -172:sc= -0.0227 (180deg=0) USER MOD Set 2.1: B 12 HIS :FLIP no HD1:sc= -0.0258 F(o=-7.5,f=-4.6) USER MOD Set 2.2: B 13 HIS : no HE2:sc= -4.56! C(o=-4.6!,f=-5.2!) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -135:sc= -0.837 (180deg=-1.4!) USER MOD Set 3.2: A 32 LYS NZ :NH3+ -167:sc= -0.0153 (180deg=0) USER MOD Set 4.1: A 12 HIS :FLIP no HD1:sc=-0.00611 F(o=-7.4,f=-4.6) USER MOD Set 4.2: A 13 HIS : no HE2:sc= -4.56! C(o=-4.6!,f=-5.2!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.151 F(o=-1.3,f=-0.15) USER MOD Single : A 6 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=-0.19) USER MOD Single : A 8 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.14) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -163:sc=-0.00306 (180deg=-0.11) USER MOD Single : A 21 GLN : amide:sc=-0.00501 X(o=-0.005,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS :FLIP no HE2:sc= -3.34 F(o=-5.2!,f=-3.3) USER MOD Single : A 29 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -157:sc= -0.328 (180deg=-1.09) USER MOD Single : A 36 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -0.14 F(o=-1.2,f=-0.14) USER MOD Single : B 6 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.26) USER MOD Single : B 8 ASN : amide:sc= -0.0115 X(o=-0.011,f=-0.12) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.106) USER MOD Single : B 21 GLN : amide:sc=-0.00209 X(o=-0.0021,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS :FLIP no HE2:sc= -3.27 F(o=-5.1!,f=-3.3) USER MOD Single : B 29 GLN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -156:sc= -0.328 (180deg=-1.12) USER MOD Single : B 36 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.7!) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -34.152 -9.895 0.720 1.00 0.00 N ATOM 2 CA ALA A 1 -32.837 -9.422 0.216 1.00 0.00 C ATOM 3 C ALA A 1 -32.396 -8.156 0.944 1.00 0.00 C ATOM 4 O ALA A 1 -32.808 -7.050 0.593 1.00 0.00 O ATOM 5 CB ALA A 1 -32.906 -9.170 -1.283 1.00 0.00 C ATOM 0 H1 ALA A 1 -34.430 -10.757 0.209 1.00 0.00 H new ATOM 0 H2 ALA A 1 -34.080 -10.103 1.736 1.00 0.00 H new ATOM 0 H3 ALA A 1 -34.868 -9.156 0.568 1.00 0.00 H new ATOM 0 HA ALA A 1 -32.099 -10.201 0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -31.936 -8.824 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -33.172 -10.095 -1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -33.660 -8.411 -1.490 1.00 0.00 H new ATOM 13 N LEU A 2 -31.555 -8.327 1.959 1.00 0.00 N ATOM 14 CA LEU A 2 -31.058 -7.198 2.737 1.00 0.00 C ATOM 15 C LEU A 2 -29.860 -6.550 2.051 1.00 0.00 C ATOM 16 O LEU A 2 -29.133 -7.202 1.302 1.00 0.00 O ATOM 17 CB LEU A 2 -30.669 -7.654 4.144 1.00 0.00 C ATOM 18 CG LEU A 2 -31.811 -8.240 4.975 1.00 0.00 C ATOM 19 CD1 LEU A 2 -32.282 -9.558 4.380 1.00 0.00 C ATOM 20 CD2 LEU A 2 -31.375 -8.430 6.420 1.00 0.00 C ATOM 0 H LEU A 2 -31.204 -9.236 2.262 1.00 0.00 H new ATOM 0 HA LEU A 2 -31.856 -6.459 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -29.880 -8.401 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -30.248 -6.804 4.681 1.00 0.00 H new ATOM 0 HG LEU A 2 -32.645 -7.539 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -33.095 -9.960 4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -32.635 -9.392 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -31.455 -10.267 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -32.200 -8.848 6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -30.525 -9.111 6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -31.087 -7.467 6.843 1.00 0.00 H new ATOM 32 N LYS A 3 -29.661 -5.262 2.311 1.00 0.00 N ATOM 33 CA LYS A 3 -28.550 -4.526 1.719 1.00 0.00 C ATOM 34 C LYS A 3 -27.448 -4.283 2.745 1.00 0.00 C ATOM 35 O LYS A 3 -26.669 -3.337 2.623 1.00 0.00 O ATOM 36 CB LYS A 3 -29.039 -3.191 1.154 1.00 0.00 C ATOM 37 CG LYS A 3 -29.305 -3.225 -0.342 1.00 0.00 C ATOM 38 CD LYS A 3 -30.695 -3.755 -0.649 1.00 0.00 C ATOM 39 CE LYS A 3 -30.649 -4.882 -1.669 1.00 0.00 C ATOM 40 NZ LYS A 3 -31.548 -4.619 -2.828 1.00 0.00 N ATOM 0 H LYS A 3 -30.254 -4.707 2.927 1.00 0.00 H new ATOM 0 HA LYS A 3 -28.140 -5.128 0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -29.954 -2.900 1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -28.296 -2.422 1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -29.198 -2.222 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.559 -3.852 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -31.160 -4.113 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -31.319 -2.945 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -29.626 -5.009 -2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.938 -5.817 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -31.488 -5.410 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -32.528 -4.523 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.256 -3.740 -3.301 1.00 0.00 H new ATOM 54 N LYS A 4 -27.387 -5.143 3.757 1.00 0.00 N ATOM 55 CA LYS A 4 -26.379 -5.022 4.803 1.00 0.00 C ATOM 56 C LYS A 4 -25.044 -5.595 4.339 1.00 0.00 C ATOM 57 O LYS A 4 -23.982 -5.086 4.695 1.00 0.00 O ATOM 58 CB LYS A 4 -26.842 -5.740 6.073 1.00 0.00 C ATOM 59 CG LYS A 4 -27.866 -4.956 6.876 1.00 0.00 C ATOM 60 CD LYS A 4 -27.590 -5.047 8.369 1.00 0.00 C ATOM 61 CE LYS A 4 -27.888 -6.438 8.906 1.00 0.00 C ATOM 62 NZ LYS A 4 -26.842 -6.901 9.857 1.00 0.00 N ATOM 0 H LYS A 4 -28.024 -5.931 3.874 1.00 0.00 H new ATOM 0 HA LYS A 4 -26.244 -3.963 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -27.269 -6.705 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -25.976 -5.941 6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -27.852 -3.911 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -28.865 -5.338 6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -26.547 -4.796 8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -28.198 -4.313 8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -28.857 -6.435 9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -27.960 -7.140 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -27.082 -7.853 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -25.921 -6.929 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -26.790 -6.245 10.663 1.00 0.00 H new ATOM 76 N HIS A 5 -25.108 -6.655 3.540 1.00 0.00 N ATOM 77 CA HIS A 5 -23.904 -7.298 3.025 1.00 0.00 C ATOM 78 C HIS A 5 -23.046 -6.306 2.245 1.00 0.00 C ATOM 79 O HIS A 5 -21.838 -6.493 2.102 1.00 0.00 O ATOM 80 CB HIS A 5 -24.276 -8.481 2.129 1.00 0.00 C ATOM 81 CG HIS A 5 -24.973 -8.080 0.866 1.00 0.00 C ATOM 82 ND1 HIS A 5 -25.802 -7.042 0.603 1.00 0.00 N flip ATOM 83 CD2 HIS A 5 -24.853 -8.782 -0.315 1.00 0.00 C flip ATOM 84 CE1 HIS A 5 -26.164 -7.137 -0.719 1.00 0.00 C flip ATOM 85 NE2 HIS A 5 -25.578 -8.194 -1.250 1.00 0.00 N flip ATOM 0 H HIS A 5 -25.980 -7.087 3.235 1.00 0.00 H new ATOM 0 HA HIS A 5 -23.326 -7.661 3.875 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -23.371 -9.033 1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -24.918 -9.162 2.688 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -24.259 -9.673 -0.454 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -26.822 -6.457 -1.240 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -25.669 -8.504 -2.217 1.00 0.00 H new ATOM 94 N HIS A 6 -23.678 -5.250 1.740 1.00 0.00 N ATOM 95 CA HIS A 6 -22.971 -4.229 0.974 1.00 0.00 C ATOM 96 C HIS A 6 -21.999 -3.459 1.859 1.00 0.00 C ATOM 97 O HIS A 6 -20.810 -3.373 1.558 1.00 0.00 O ATOM 98 CB HIS A 6 -23.968 -3.263 0.331 1.00 0.00 C ATOM 99 CG HIS A 6 -24.100 -3.436 -1.150 1.00 0.00 C ATOM 100 ND1 HIS A 6 -24.134 -4.672 -1.764 1.00 0.00 N ATOM 101 CD2 HIS A 6 -24.209 -2.522 -2.144 1.00 0.00 C ATOM 102 CE1 HIS A 6 -24.258 -4.510 -3.069 1.00 0.00 C ATOM 103 NE2 HIS A 6 -24.306 -3.216 -3.325 1.00 0.00 N ATOM 0 H HIS A 6 -24.678 -5.079 1.848 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.402 -4.729 0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.945 -3.402 0.793 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.658 -2.240 0.543 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.218 -1.448 -2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -24.311 -5.302 -3.802 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -24.400 -2.799 -4.251 1.00 0.00 H new ATOM 112 N GLU A 7 -22.511 -2.900 2.950 1.00 0.00 N ATOM 113 CA GLU A 7 -21.681 -2.136 3.875 1.00 0.00 C ATOM 114 C GLU A 7 -20.567 -3.005 4.450 1.00 0.00 C ATOM 115 O GLU A 7 -19.517 -2.503 4.850 1.00 0.00 O ATOM 116 CB GLU A 7 -22.533 -1.563 5.008 1.00 0.00 C ATOM 117 CG GLU A 7 -22.205 -0.118 5.344 1.00 0.00 C ATOM 118 CD GLU A 7 -21.388 0.014 6.615 1.00 0.00 C ATOM 119 OE1 GLU A 7 -20.237 -0.473 6.634 1.00 0.00 O ATOM 120 OE2 GLU A 7 -21.897 0.603 7.591 1.00 0.00 O ATOM 0 H GLU A 7 -23.494 -2.961 3.215 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.228 -1.314 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.585 -1.633 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.396 -2.175 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.655 0.328 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -23.132 0.445 5.452 1.00 0.00 H new ATOM 127 N ASN A 8 -20.800 -4.313 4.482 1.00 0.00 N ATOM 128 CA ASN A 8 -19.814 -5.250 5.002 1.00 0.00 C ATOM 129 C ASN A 8 -18.635 -5.374 4.043 1.00 0.00 C ATOM 130 O ASN A 8 -17.475 -5.306 4.453 1.00 0.00 O ATOM 131 CB ASN A 8 -20.451 -6.622 5.229 1.00 0.00 C ATOM 132 CG ASN A 8 -20.308 -7.097 6.662 1.00 0.00 C ATOM 133 OD1 ASN A 8 -19.235 -6.997 7.256 1.00 0.00 O ATOM 134 ND2 ASN A 8 -21.392 -7.618 7.223 1.00 0.00 N ATOM 0 H ASN A 8 -21.663 -4.747 4.154 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.449 -4.869 5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -21.508 -6.576 4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -19.989 -7.349 4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -21.356 -7.955 8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -22.261 -7.681 6.692 1.00 0.00 H new ATOM 141 N GLU A 9 -18.941 -5.552 2.761 1.00 0.00 N ATOM 142 CA GLU A 9 -17.907 -5.679 1.745 1.00 0.00 C ATOM 143 C GLU A 9 -17.046 -4.426 1.693 1.00 0.00 C ATOM 144 O GLU A 9 -15.823 -4.508 1.582 1.00 0.00 O ATOM 145 CB GLU A 9 -18.534 -5.943 0.374 1.00 0.00 C ATOM 146 CG GLU A 9 -17.592 -6.626 -0.604 1.00 0.00 C ATOM 147 CD GLU A 9 -17.495 -8.121 -0.374 1.00 0.00 C ATOM 148 OE1 GLU A 9 -18.454 -8.840 -0.724 1.00 0.00 O ATOM 149 OE2 GLU A 9 -16.459 -8.574 0.157 1.00 0.00 O ATOM 0 H GLU A 9 -19.895 -5.611 2.404 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.272 -6.525 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.422 -6.562 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.865 -4.996 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.934 -6.440 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.600 -6.184 -0.516 1.00 0.00 H new ATOM 156 N ILE A 10 -17.686 -3.265 1.782 1.00 0.00 N ATOM 157 CA ILE A 10 -16.959 -2.010 1.753 1.00 0.00 C ATOM 158 C ILE A 10 -16.171 -1.819 3.042 1.00 0.00 C ATOM 159 O ILE A 10 -15.162 -1.127 3.065 1.00 0.00 O ATOM 160 CB ILE A 10 -17.893 -0.804 1.509 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.697 -0.446 2.759 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.835 -1.102 0.356 1.00 0.00 C ATOM 163 CD1 ILE A 10 -19.609 0.743 2.552 1.00 0.00 C ATOM 0 H ILE A 10 -18.697 -3.171 1.874 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.263 -2.058 0.915 1.00 0.00 H new ATOM 0 HB ILE A 10 -17.268 0.053 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -19.294 -1.307 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.010 -0.232 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.490 -0.247 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.255 -1.295 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -19.437 -1.979 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.153 0.949 3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.014 1.615 2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.318 0.523 1.754 1.00 0.00 H new ATOM 175 N SER A 11 -16.622 -2.457 4.113 1.00 0.00 N ATOM 176 CA SER A 11 -15.927 -2.362 5.387 1.00 0.00 C ATOM 177 C SER A 11 -14.547 -2.996 5.269 1.00 0.00 C ATOM 178 O SER A 11 -13.556 -2.471 5.789 1.00 0.00 O ATOM 179 CB SER A 11 -16.732 -3.049 6.491 1.00 0.00 C ATOM 180 OG SER A 11 -16.433 -2.497 7.761 1.00 0.00 O ATOM 0 H SER A 11 -17.458 -3.041 4.125 1.00 0.00 H new ATOM 0 HA SER A 11 -15.816 -1.310 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.798 -2.944 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.512 -4.117 6.495 1.00 0.00 H new ATOM 0 HG SER A 11 -16.962 -2.953 8.449 1.00 0.00 H new ATOM 186 N HIS A 12 -14.485 -4.124 4.567 1.00 0.00 N ATOM 187 CA HIS A 12 -13.229 -4.825 4.366 1.00 0.00 C ATOM 188 C HIS A 12 -12.343 -4.050 3.387 1.00 0.00 C ATOM 189 O HIS A 12 -11.119 -4.047 3.517 1.00 0.00 O ATOM 190 CB HIS A 12 -13.514 -6.272 3.898 1.00 0.00 C ATOM 191 CG HIS A 12 -12.652 -6.778 2.777 1.00 0.00 C ATOM 192 ND1 HIS A 12 -12.841 -6.745 1.440 1.00 0.00 N flip ATOM 193 CD2 HIS A 12 -11.440 -7.406 2.976 1.00 0.00 C flip ATOM 194 CE1 HIS A 12 -11.752 -7.346 0.859 1.00 0.00 C flip ATOM 195 NE2 HIS A 12 -10.920 -7.736 1.807 1.00 0.00 N flip ATOM 0 H HIS A 12 -15.292 -4.569 4.129 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.679 -4.888 5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.396 -6.940 4.752 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.557 -6.334 3.586 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.987 -7.598 3.937 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.600 -7.478 -0.202 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.029 -8.211 1.662 1.00 0.00 H new ATOM 204 N HIS A 13 -12.965 -3.382 2.415 1.00 0.00 N ATOM 205 CA HIS A 13 -12.213 -2.601 1.439 1.00 0.00 C ATOM 206 C HIS A 13 -11.565 -1.398 2.103 1.00 0.00 C ATOM 207 O HIS A 13 -10.514 -0.941 1.672 1.00 0.00 O ATOM 208 CB HIS A 13 -13.108 -2.107 0.308 1.00 0.00 C ATOM 209 CG HIS A 13 -13.923 -3.170 -0.345 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.531 -4.488 -0.439 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.124 -3.090 -0.951 1.00 0.00 C ATOM 212 CE1 HIS A 13 -14.461 -5.176 -1.078 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.440 -4.348 -1.399 1.00 0.00 N ATOM 0 H HIS A 13 -13.977 -3.367 2.285 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.448 -3.258 1.027 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.778 -1.342 0.700 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.486 -1.628 -0.448 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -12.660 -4.872 -0.073 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.726 -2.201 -1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.427 -6.232 -1.300 1.00 0.00 H new ATOM 222 N ALA A 14 -12.204 -0.882 3.148 1.00 0.00 N ATOM 223 CA ALA A 14 -11.679 0.274 3.859 1.00 0.00 C ATOM 224 C ALA A 14 -10.419 -0.103 4.618 1.00 0.00 C ATOM 225 O ALA A 14 -9.373 0.522 4.453 1.00 0.00 O ATOM 226 CB ALA A 14 -12.727 0.839 4.807 1.00 0.00 C ATOM 0 H ALA A 14 -13.082 -1.245 3.519 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.427 1.045 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.317 1.703 5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.606 1.143 4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.010 0.076 5.533 1.00 0.00 H new ATOM 232 N LYS A 15 -10.516 -1.145 5.435 1.00 0.00 N ATOM 233 CA LYS A 15 -9.364 -1.608 6.191 1.00 0.00 C ATOM 234 C LYS A 15 -8.275 -2.099 5.240 1.00 0.00 C ATOM 235 O LYS A 15 -7.098 -2.155 5.601 1.00 0.00 O ATOM 236 CB LYS A 15 -9.767 -2.728 7.153 1.00 0.00 C ATOM 237 CG LYS A 15 -9.654 -2.342 8.618 1.00 0.00 C ATOM 238 CD LYS A 15 -10.574 -3.182 9.489 1.00 0.00 C ATOM 239 CE LYS A 15 -11.483 -2.312 10.341 1.00 0.00 C ATOM 240 NZ LYS A 15 -10.709 -1.454 11.280 1.00 0.00 N ATOM 0 H LYS A 15 -11.371 -1.679 5.589 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.975 -0.774 6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.795 -3.024 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.139 -3.599 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.623 -2.467 8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.901 -1.287 8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.179 -3.833 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.977 -3.827 10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.094 -1.683 9.694 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.166 -2.946 10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.340 -1.099 12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.944 -2.012 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.301 -0.651 10.760 1.00 0.00 H new ATOM 254 N GLU A 16 -8.675 -2.448 4.018 1.00 0.00 N ATOM 255 CA GLU A 16 -7.739 -2.928 3.012 1.00 0.00 C ATOM 256 C GLU A 16 -6.910 -1.781 2.442 1.00 0.00 C ATOM 257 O GLU A 16 -5.702 -1.920 2.251 1.00 0.00 O ATOM 258 CB GLU A 16 -8.491 -3.637 1.884 1.00 0.00 C ATOM 259 CG GLU A 16 -8.630 -5.137 2.094 1.00 0.00 C ATOM 260 CD GLU A 16 -7.301 -5.862 2.023 1.00 0.00 C ATOM 261 OE1 GLU A 16 -6.474 -5.677 2.941 1.00 0.00 O ATOM 262 OE2 GLU A 16 -7.086 -6.613 1.050 1.00 0.00 O ATOM 0 H GLU A 16 -9.644 -2.406 3.704 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.063 -3.635 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.484 -3.198 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.971 -3.457 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.090 -5.323 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.303 -5.545 1.340 1.00 0.00 H new ATOM 269 N ILE A 17 -7.557 -0.648 2.171 1.00 0.00 N ATOM 270 CA ILE A 17 -6.853 0.504 1.624 1.00 0.00 C ATOM 271 C ILE A 17 -5.886 1.083 2.659 1.00 0.00 C ATOM 272 O ILE A 17 -4.759 1.454 2.333 1.00 0.00 O ATOM 273 CB ILE A 17 -7.842 1.593 1.110 1.00 0.00 C ATOM 274 CG1 ILE A 17 -8.283 2.550 2.228 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.063 0.944 0.476 1.00 0.00 C ATOM 276 CD1 ILE A 17 -7.280 3.647 2.514 1.00 0.00 C ATOM 0 H ILE A 17 -8.556 -0.507 2.320 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.275 0.163 0.765 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.310 2.180 0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.236 3.002 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.453 1.977 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.744 1.718 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.750 0.324 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.571 0.324 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.657 4.285 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.333 3.203 2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.128 4.244 1.615 1.00 0.00 H new ATOM 288 N GLU A 18 -6.333 1.140 3.911 1.00 0.00 N ATOM 289 CA GLU A 18 -5.506 1.662 4.992 1.00 0.00 C ATOM 290 C GLU A 18 -4.367 0.701 5.314 1.00 0.00 C ATOM 291 O GLU A 18 -3.313 1.111 5.802 1.00 0.00 O ATOM 292 CB GLU A 18 -6.354 1.903 6.242 1.00 0.00 C ATOM 293 CG GLU A 18 -6.628 3.372 6.517 1.00 0.00 C ATOM 294 CD GLU A 18 -7.087 3.622 7.940 1.00 0.00 C ATOM 295 OE1 GLU A 18 -7.879 2.809 8.461 1.00 0.00 O ATOM 296 OE2 GLU A 18 -6.655 4.633 8.534 1.00 0.00 O ATOM 0 H GLU A 18 -7.261 0.832 4.200 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.079 2.610 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.304 1.379 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.847 1.469 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.724 3.949 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.389 3.732 5.825 1.00 0.00 H new ATOM 303 N ARG A 19 -4.586 -0.580 5.038 1.00 0.00 N ATOM 304 CA ARG A 19 -3.578 -1.601 5.299 1.00 0.00 C ATOM 305 C ARG A 19 -2.470 -1.556 4.252 1.00 0.00 C ATOM 306 O ARG A 19 -1.303 -1.801 4.561 1.00 0.00 O ATOM 307 CB ARG A 19 -4.221 -2.989 5.320 1.00 0.00 C ATOM 308 CG ARG A 19 -4.606 -3.460 6.713 1.00 0.00 C ATOM 309 CD ARG A 19 -5.208 -4.856 6.683 1.00 0.00 C ATOM 310 NE ARG A 19 -4.182 -5.895 6.694 1.00 0.00 N ATOM 311 CZ ARG A 19 -3.364 -6.110 7.720 1.00 0.00 C ATOM 312 NH1 ARG A 19 -3.453 -5.360 8.810 1.00 0.00 N ATOM 313 NH2 ARG A 19 -2.457 -7.075 7.656 1.00 0.00 N ATOM 0 H ARG A 19 -5.452 -0.936 4.634 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.137 -1.397 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.111 -2.978 4.690 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.529 -3.708 4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.726 -3.456 7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.322 -2.763 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.865 -4.986 7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.825 -4.965 5.791 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.088 -6.488 5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.150 -4.617 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.825 -5.526 9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.386 -7.654 6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.830 -7.239 8.444 1.00 0.00 H new ATOM 327 N LEU A 20 -2.836 -1.237 3.015 1.00 0.00 N ATOM 328 CA LEU A 20 -1.864 -1.157 1.934 1.00 0.00 C ATOM 329 C LEU A 20 -0.967 0.062 2.116 1.00 0.00 C ATOM 330 O LEU A 20 0.228 0.016 1.824 1.00 0.00 O ATOM 331 CB LEU A 20 -2.572 -1.095 0.581 1.00 0.00 C ATOM 332 CG LEU A 20 -2.846 -2.452 -0.070 1.00 0.00 C ATOM 333 CD1 LEU A 20 -1.562 -3.258 -0.186 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.890 -3.221 0.727 1.00 0.00 C ATOM 0 H LEU A 20 -3.796 -1.031 2.738 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.245 -2.054 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.520 -0.572 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.967 -0.497 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.234 -2.281 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.777 -4.220 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.843 -2.712 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.144 -3.421 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.074 -4.184 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.527 -3.381 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.817 -2.649 0.759 1.00 0.00 H new ATOM 346 N GLN A 21 -1.551 1.149 2.611 1.00 0.00 N ATOM 347 CA GLN A 21 -0.802 2.377 2.844 1.00 0.00 C ATOM 348 C GLN A 21 0.216 2.178 3.963 1.00 0.00 C ATOM 349 O GLN A 21 1.377 2.568 3.839 1.00 0.00 O ATOM 350 CB GLN A 21 -1.752 3.522 3.199 1.00 0.00 C ATOM 351 CG GLN A 21 -1.560 4.760 2.338 1.00 0.00 C ATOM 352 CD GLN A 21 -0.596 5.755 2.954 1.00 0.00 C ATOM 353 OE1 GLN A 21 -1.006 6.686 3.647 1.00 0.00 O ATOM 354 NE2 GLN A 21 0.693 5.563 2.702 1.00 0.00 N ATOM 0 H GLN A 21 -2.539 1.204 2.858 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.270 2.632 1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.780 3.175 3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.608 3.791 4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.191 4.462 1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.525 5.243 2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.988 4.777 2.122 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.389 6.201 3.088 1.00 0.00 H new ATOM 363 N LYS A 22 -0.226 1.560 5.055 1.00 0.00 N ATOM 364 CA LYS A 22 0.650 1.303 6.189 1.00 0.00 C ATOM 365 C LYS A 22 1.800 0.392 5.777 1.00 0.00 C ATOM 366 O LYS A 22 2.911 0.499 6.297 1.00 0.00 O ATOM 367 CB LYS A 22 -0.136 0.668 7.338 1.00 0.00 C ATOM 368 CG LYS A 22 -0.409 1.624 8.488 1.00 0.00 C ATOM 369 CD LYS A 22 -1.367 2.730 8.078 1.00 0.00 C ATOM 370 CE LYS A 22 -0.625 3.919 7.490 1.00 0.00 C ATOM 371 NZ LYS A 22 -1.367 5.194 7.692 1.00 0.00 N ATOM 0 H LYS A 22 -1.183 1.230 5.176 1.00 0.00 H new ATOM 0 HA LYS A 22 1.060 2.254 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.085 0.293 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.418 -0.192 7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.828 1.072 9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.529 2.062 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.077 2.345 7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.945 3.052 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.360 3.996 7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.467 3.757 6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.827 5.980 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.297 5.131 7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.496 5.363 8.710 1.00 0.00 H new ATOM 385 N GLU A 23 1.524 -0.504 4.834 1.00 0.00 N ATOM 386 CA GLU A 23 2.534 -1.434 4.347 1.00 0.00 C ATOM 387 C GLU A 23 3.647 -0.689 3.622 1.00 0.00 C ATOM 388 O GLU A 23 4.826 -0.907 3.896 1.00 0.00 O ATOM 389 CB GLU A 23 1.902 -2.469 3.415 1.00 0.00 C ATOM 390 CG GLU A 23 2.737 -3.729 3.251 1.00 0.00 C ATOM 391 CD GLU A 23 3.217 -4.287 4.577 1.00 0.00 C ATOM 392 OE1 GLU A 23 2.364 -4.655 5.410 1.00 0.00 O ATOM 393 OE2 GLU A 23 4.447 -4.355 4.780 1.00 0.00 O ATOM 0 H GLU A 23 0.610 -0.605 4.393 1.00 0.00 H new ATOM 0 HA GLU A 23 2.964 -1.950 5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.920 -2.742 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.746 -2.017 2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.148 -4.486 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.598 -3.510 2.620 1.00 0.00 H new ATOM 400 N ILE A 24 3.272 0.197 2.704 1.00 0.00 N ATOM 401 CA ILE A 24 4.256 0.972 1.962 1.00 0.00 C ATOM 402 C ILE A 24 5.036 1.886 2.901 1.00 0.00 C ATOM 403 O ILE A 24 6.154 2.295 2.594 1.00 0.00 O ATOM 404 CB ILE A 24 3.604 1.816 0.845 1.00 0.00 C ATOM 405 CG1 ILE A 24 4.655 2.685 0.146 1.00 0.00 C ATOM 406 CG2 ILE A 24 2.488 2.677 1.411 1.00 0.00 C ATOM 407 CD1 ILE A 24 4.080 3.598 -0.911 1.00 0.00 C ATOM 0 H ILE A 24 2.302 0.394 2.459 1.00 0.00 H new ATOM 0 HA ILE A 24 4.937 0.260 1.495 1.00 0.00 H new ATOM 0 HB ILE A 24 3.174 1.139 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.171 3.288 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.403 2.038 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.040 3.265 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.728 2.038 1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.894 3.347 2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.882 4.182 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.589 3.001 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.354 4.271 -0.455 1.00 0.00 H new ATOM 419 N GLU A 25 4.441 2.200 4.050 1.00 0.00 N ATOM 420 CA GLU A 25 5.091 3.058 5.031 1.00 0.00 C ATOM 421 C GLU A 25 6.296 2.350 5.640 1.00 0.00 C ATOM 422 O GLU A 25 7.391 2.913 5.709 1.00 0.00 O ATOM 423 CB GLU A 25 4.104 3.452 6.131 1.00 0.00 C ATOM 424 CG GLU A 25 4.349 4.840 6.700 1.00 0.00 C ATOM 425 CD GLU A 25 4.995 4.802 8.071 1.00 0.00 C ATOM 426 OE1 GLU A 25 4.436 4.143 8.973 1.00 0.00 O ATOM 427 OE2 GLU A 25 6.059 5.432 8.244 1.00 0.00 O ATOM 0 H GLU A 25 3.514 1.873 4.321 1.00 0.00 H new ATOM 0 HA GLU A 25 5.433 3.961 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.091 3.406 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.162 2.722 6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.987 5.401 6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.402 5.375 6.763 1.00 0.00 H new ATOM 434 N ARG A 26 6.091 1.109 6.072 1.00 0.00 N ATOM 435 CA ARG A 26 7.167 0.325 6.667 1.00 0.00 C ATOM 436 C ARG A 26 8.243 0.019 5.631 1.00 0.00 C ATOM 437 O ARG A 26 9.440 0.019 5.938 1.00 0.00 O ATOM 438 CB ARG A 26 6.617 -0.979 7.249 1.00 0.00 C ATOM 439 CG ARG A 26 6.339 -0.910 8.742 1.00 0.00 C ATOM 440 CD ARG A 26 5.226 0.076 9.056 1.00 0.00 C ATOM 441 NE ARG A 26 4.297 -0.448 10.053 1.00 0.00 N ATOM 442 CZ ARG A 26 4.630 -0.682 11.318 1.00 0.00 C ATOM 443 NH1 ARG A 26 5.864 -0.441 11.737 1.00 0.00 N ATOM 444 NH2 ARG A 26 3.727 -1.158 12.165 1.00 0.00 N ATOM 0 H ARG A 26 5.194 0.627 6.021 1.00 0.00 H new ATOM 0 HA ARG A 26 7.612 0.911 7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.696 -1.239 6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.329 -1.782 7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.064 -1.899 9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.247 -0.616 9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.659 1.008 9.418 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.682 0.312 8.142 1.00 0.00 H new ATOM 0 HE ARG A 26 3.339 -0.645 9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.561 -0.075 11.088 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.117 -0.621 12.708 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.776 -1.345 11.845 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.983 -1.337 13.136 1.00 0.00 H new ATOM 458 N HIS A 27 7.813 -0.224 4.398 1.00 0.00 N ATOM 459 CA HIS A 27 8.736 -0.516 3.318 1.00 0.00 C ATOM 460 C HIS A 27 9.464 0.749 2.888 1.00 0.00 C ATOM 461 O HIS A 27 10.546 0.682 2.311 1.00 0.00 O ATOM 462 CB HIS A 27 7.982 -1.123 2.134 1.00 0.00 C ATOM 463 CG HIS A 27 8.466 -2.486 1.752 1.00 0.00 C ATOM 464 ND1 HIS A 27 8.031 -3.715 2.121 1.00 0.00 N flip ATOM 465 CD2 HIS A 27 9.523 -2.698 0.891 1.00 0.00 C flip ATOM 466 CE1 HIS A 27 8.825 -4.635 1.482 1.00 0.00 C flip ATOM 467 NE2 HIS A 27 9.716 -3.998 0.746 1.00 0.00 N flip ATOM 0 H HIS A 27 6.830 -0.224 4.126 1.00 0.00 H new ATOM 0 HA HIS A 27 9.474 -1.236 3.672 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.921 -1.179 2.379 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.076 -0.459 1.275 1.00 0.00 H new ATOM 0 HD1 HIS A 27 7.258 -3.919 2.755 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.102 -1.923 0.411 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.735 -5.708 1.568 1.00 0.00 H new ATOM 476 N LYS A 28 8.864 1.902 3.181 1.00 0.00 N ATOM 477 CA LYS A 28 9.456 3.185 2.830 1.00 0.00 C ATOM 478 C LYS A 28 10.595 3.526 3.779 1.00 0.00 C ATOM 479 O LYS A 28 11.574 4.162 3.389 1.00 0.00 O ATOM 480 CB LYS A 28 8.397 4.289 2.865 1.00 0.00 C ATOM 481 CG LYS A 28 8.954 5.675 2.584 1.00 0.00 C ATOM 482 CD LYS A 28 8.294 6.728 3.459 1.00 0.00 C ATOM 483 CE LYS A 28 9.144 7.056 4.676 1.00 0.00 C ATOM 484 NZ LYS A 28 9.313 8.525 4.857 1.00 0.00 N ATOM 0 H LYS A 28 7.967 1.970 3.661 1.00 0.00 H new ATOM 0 HA LYS A 28 9.855 3.112 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.623 4.062 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.918 4.291 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.030 5.678 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.800 5.924 1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.127 7.634 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.316 6.372 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.681 6.631 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.123 6.588 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.309 8.736 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.033 9.017 3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.715 8.849 5.644 1.00 0.00 H new ATOM 498 N GLN A 29 10.465 3.091 5.026 1.00 0.00 N ATOM 499 CA GLN A 29 11.490 3.344 6.029 1.00 0.00 C ATOM 500 C GLN A 29 12.718 2.481 5.764 1.00 0.00 C ATOM 501 O GLN A 29 13.852 2.944 5.883 1.00 0.00 O ATOM 502 CB GLN A 29 10.946 3.066 7.431 1.00 0.00 C ATOM 503 CG GLN A 29 11.990 3.202 8.527 1.00 0.00 C ATOM 504 CD GLN A 29 11.793 4.450 9.367 1.00 0.00 C ATOM 505 OE1 GLN A 29 12.619 5.363 9.344 1.00 0.00 O ATOM 506 NE2 GLN A 29 10.697 4.493 10.114 1.00 0.00 N ATOM 0 H GLN A 29 9.662 2.563 5.366 1.00 0.00 H new ATOM 0 HA GLN A 29 11.779 4.393 5.967 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.125 3.753 7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.532 2.058 7.458 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.951 2.324 9.172 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.983 3.224 8.078 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.040 3.713 10.101 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.511 5.306 10.701 1.00 0.00 H new ATOM 515 N SER A 30 12.483 1.223 5.400 1.00 0.00 N ATOM 516 CA SER A 30 13.573 0.296 5.116 1.00 0.00 C ATOM 517 C SER A 30 14.317 0.690 3.840 1.00 0.00 C ATOM 518 O SER A 30 15.547 0.636 3.785 1.00 0.00 O ATOM 519 CB SER A 30 13.034 -1.130 4.985 1.00 0.00 C ATOM 520 OG SER A 30 13.216 -1.857 6.187 1.00 0.00 O ATOM 0 H SER A 30 11.550 0.824 5.295 1.00 0.00 H new ATOM 0 HA SER A 30 14.276 0.340 5.948 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.974 -1.100 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.543 -1.640 4.167 1.00 0.00 H new ATOM 0 HG SER A 30 12.862 -2.764 6.077 1.00 0.00 H new ATOM 526 N ILE A 31 13.564 1.082 2.817 1.00 0.00 N ATOM 527 CA ILE A 31 14.152 1.480 1.539 1.00 0.00 C ATOM 528 C ILE A 31 14.829 2.842 1.647 1.00 0.00 C ATOM 529 O ILE A 31 15.777 3.132 0.916 1.00 0.00 O ATOM 530 CB ILE A 31 13.079 1.522 0.429 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.660 2.010 -0.897 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.929 2.423 0.838 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.480 0.973 -1.615 1.00 0.00 C ATOM 0 H ILE A 31 12.546 1.133 2.846 1.00 0.00 H new ATOM 0 HA ILE A 31 14.903 0.734 1.279 1.00 0.00 H new ATOM 0 HB ILE A 31 12.715 0.504 0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.844 2.329 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.281 2.887 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.182 2.442 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.477 2.043 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.301 3.433 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.860 1.391 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.317 0.671 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.858 0.105 -1.833 1.00 0.00 H new ATOM 545 N LYS A 32 14.345 3.668 2.564 1.00 0.00 N ATOM 546 CA LYS A 32 14.913 4.994 2.768 1.00 0.00 C ATOM 547 C LYS A 32 16.179 4.916 3.615 1.00 0.00 C ATOM 548 O LYS A 32 17.023 5.811 3.569 1.00 0.00 O ATOM 549 CB LYS A 32 13.891 5.913 3.440 1.00 0.00 C ATOM 550 CG LYS A 32 12.965 6.614 2.458 1.00 0.00 C ATOM 551 CD LYS A 32 12.766 8.074 2.828 1.00 0.00 C ATOM 552 CE LYS A 32 11.370 8.555 2.467 1.00 0.00 C ATOM 553 NZ LYS A 32 11.146 9.968 2.876 1.00 0.00 N ATOM 0 H LYS A 32 13.562 3.444 3.178 1.00 0.00 H new ATOM 0 HA LYS A 32 15.173 5.406 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.292 5.328 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 32 14.420 6.664 4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.380 6.545 1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.000 6.107 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.932 8.205 3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.507 8.685 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.220 8.461 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.630 7.916 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.132 10.190 2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.474 10.103 3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.676 10.601 2.243 1.00 0.00 H new ATOM 567 N LYS A 33 16.304 3.843 4.392 1.00 0.00 N ATOM 568 CA LYS A 33 17.466 3.656 5.251 1.00 0.00 C ATOM 569 C LYS A 33 18.655 3.110 4.469 1.00 0.00 C ATOM 570 O LYS A 33 19.791 3.532 4.683 1.00 0.00 O ATOM 571 CB LYS A 33 17.124 2.714 6.408 1.00 0.00 C ATOM 572 CG LYS A 33 16.827 3.436 7.712 1.00 0.00 C ATOM 573 CD LYS A 33 18.072 3.566 8.574 1.00 0.00 C ATOM 574 CE LYS A 33 17.768 3.295 10.038 1.00 0.00 C ATOM 575 NZ LYS A 33 18.915 3.649 10.918 1.00 0.00 N ATOM 0 H LYS A 33 15.615 3.092 4.443 1.00 0.00 H new ATOM 0 HA LYS A 33 17.744 4.631 5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.259 2.111 6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.955 2.027 6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.427 4.427 7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.058 2.894 8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.832 2.868 8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.487 4.568 8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.890 3.867 10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.522 2.241 10.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.667 3.449 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.746 3.085 10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.134 4.660 10.813 1.00 0.00 H new ATOM 589 N LEU A 34 18.397 2.173 3.561 1.00 0.00 N ATOM 590 CA LEU A 34 19.463 1.591 2.759 1.00 0.00 C ATOM 591 C LEU A 34 19.804 2.498 1.583 1.00 0.00 C ATOM 592 O LEU A 34 20.919 2.466 1.064 1.00 0.00 O ATOM 593 CB LEU A 34 19.065 0.202 2.262 1.00 0.00 C ATOM 594 CG LEU A 34 18.712 -0.805 3.359 1.00 0.00 C ATOM 595 CD1 LEU A 34 17.701 -1.819 2.849 1.00 0.00 C ATOM 596 CD2 LEU A 34 19.966 -1.506 3.857 1.00 0.00 C ATOM 0 H LEU A 34 17.466 1.804 3.365 1.00 0.00 H new ATOM 0 HA LEU A 34 20.348 1.492 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.209 0.304 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.885 -0.203 1.669 1.00 0.00 H new ATOM 0 HG LEU A 34 18.263 -0.264 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.463 -2.526 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.793 -1.303 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.122 -2.356 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.699 -2.219 4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.441 -2.034 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.659 -0.768 4.262 1.00 0.00 H new ATOM 608 N LYS A 35 18.837 3.315 1.173 1.00 0.00 N ATOM 609 CA LYS A 35 19.040 4.239 0.067 1.00 0.00 C ATOM 610 C LYS A 35 19.706 5.520 0.557 1.00 0.00 C ATOM 611 O LYS A 35 20.404 6.196 -0.198 1.00 0.00 O ATOM 612 CB LYS A 35 17.705 4.567 -0.606 1.00 0.00 C ATOM 613 CG LYS A 35 17.856 5.218 -1.972 1.00 0.00 C ATOM 614 CD LYS A 35 17.175 6.576 -2.019 1.00 0.00 C ATOM 615 CE LYS A 35 15.667 6.438 -2.154 1.00 0.00 C ATOM 616 NZ LYS A 35 15.291 5.479 -3.229 1.00 0.00 N ATOM 0 H LYS A 35 17.907 3.354 1.591 1.00 0.00 H new ATOM 0 HA LYS A 35 19.694 3.762 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.126 3.650 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.134 5.231 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 35 18.914 5.332 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.428 4.568 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 35 17.411 7.134 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.565 7.151 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.247 6.103 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.231 7.414 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.327 5.687 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.956 5.570 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.328 4.509 -2.857 1.00 0.00 H new ATOM 630 N GLN A 36 19.490 5.845 1.830 1.00 0.00 N ATOM 631 CA GLN A 36 20.077 7.041 2.420 1.00 0.00 C ATOM 632 C GLN A 36 21.518 6.780 2.844 1.00 0.00 C ATOM 633 O GLN A 36 22.368 7.666 2.772 1.00 0.00 O ATOM 634 CB GLN A 36 19.254 7.499 3.625 1.00 0.00 C ATOM 635 CG GLN A 36 18.005 8.279 3.248 1.00 0.00 C ATOM 636 CD GLN A 36 17.091 8.523 4.432 1.00 0.00 C ATOM 637 OE1 GLN A 36 15.874 8.359 4.337 1.00 0.00 O ATOM 638 NE2 GLN A 36 17.673 8.919 5.558 1.00 0.00 N ATOM 0 H GLN A 36 18.914 5.297 2.469 1.00 0.00 H new ATOM 0 HA GLN A 36 20.072 7.829 1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.964 6.626 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.880 8.119 4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.296 9.236 2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.459 7.733 2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.685 9.042 5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.108 9.100 6.388 1.00 0.00 H new ATOM 647 N SER A 37 21.785 5.553 3.283 1.00 0.00 N ATOM 648 CA SER A 37 23.123 5.172 3.715 1.00 0.00 C ATOM 649 C SER A 37 24.038 4.949 2.514 1.00 0.00 C ATOM 650 O SER A 37 25.250 5.146 2.599 1.00 0.00 O ATOM 651 CB SER A 37 23.065 3.903 4.568 1.00 0.00 C ATOM 652 OG SER A 37 23.727 4.091 5.806 1.00 0.00 O ATOM 0 H SER A 37 21.092 4.807 3.348 1.00 0.00 H new ATOM 0 HA SER A 37 23.530 5.986 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 37 22.025 3.628 4.746 1.00 0.00 H new ATOM 0 HB3 SER A 37 23.526 3.076 4.027 1.00 0.00 H new ATOM 0 HG SER A 37 23.675 3.267 6.333 1.00 0.00 H new ATOM 658 N GLU A 38 23.448 4.540 1.394 1.00 0.00 N ATOM 659 CA GLU A 38 24.212 4.293 0.176 1.00 0.00 C ATOM 660 C GLU A 38 24.620 5.606 -0.483 1.00 0.00 C ATOM 661 O GLU A 38 25.644 5.681 -1.161 1.00 0.00 O ATOM 662 CB GLU A 38 23.393 3.451 -0.803 1.00 0.00 C ATOM 663 CG GLU A 38 24.135 2.231 -1.325 1.00 0.00 C ATOM 664 CD GLU A 38 24.473 2.340 -2.798 1.00 0.00 C ATOM 665 OE1 GLU A 38 25.295 3.209 -3.157 1.00 0.00 O ATOM 666 OE2 GLU A 38 23.916 1.556 -3.595 1.00 0.00 O ATOM 0 H GLU A 38 22.446 4.373 1.305 1.00 0.00 H new ATOM 0 HA GLU A 38 25.115 3.746 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.477 3.125 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.097 4.075 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.054 2.098 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.526 1.342 -1.161 1.00 0.00 H new ATOM 673 N ASP A 39 23.809 6.641 -0.279 1.00 0.00 N ATOM 674 CA ASP A 39 24.085 7.953 -0.854 1.00 0.00 C ATOM 675 C ASP A 39 25.270 8.613 -0.156 1.00 0.00 C ATOM 676 O ASP A 39 25.974 9.430 -0.749 1.00 0.00 O ATOM 677 CB ASP A 39 22.851 8.849 -0.745 1.00 0.00 C ATOM 678 CG ASP A 39 22.881 9.998 -1.734 1.00 0.00 C ATOM 679 OD1 ASP A 39 23.934 10.661 -1.842 1.00 0.00 O ATOM 680 OD2 ASP A 39 21.852 10.235 -2.401 1.00 0.00 O ATOM 0 H ASP A 39 22.957 6.596 0.280 1.00 0.00 H new ATOM 0 HA ASP A 39 24.335 7.817 -1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.955 8.251 -0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 39 22.782 9.247 0.268 1.00 0.00 H new ATOM 685 N ASP A 40 25.486 8.252 1.104 1.00 0.00 N ATOM 686 CA ASP A 40 26.585 8.809 1.882 1.00 0.00 C ATOM 687 C ASP A 40 26.347 10.285 2.183 1.00 0.00 C ATOM 688 O ASP A 40 25.344 10.861 1.761 1.00 0.00 O ATOM 689 CB ASP A 40 27.907 8.638 1.129 1.00 0.00 C ATOM 690 CG ASP A 40 28.783 7.561 1.736 1.00 0.00 C ATOM 691 OD1 ASP A 40 28.451 6.367 1.578 1.00 0.00 O ATOM 692 OD2 ASP A 40 29.801 7.910 2.371 1.00 0.00 O ATOM 0 H ASP A 40 24.913 7.575 1.608 1.00 0.00 H new ATOM 0 HA ASP A 40 26.638 8.268 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 40 27.700 8.390 0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 40 28.447 9.585 1.129 1.00 0.00 H new ATOM 697 N ASP A 41 27.275 10.893 2.915 1.00 0.00 N ATOM 698 CA ASP A 41 27.166 12.302 3.272 1.00 0.00 C ATOM 699 C ASP A 41 28.540 12.901 3.553 1.00 0.00 C ATOM 700 O ASP A 41 29.190 13.366 2.593 1.00 0.00 O ATOM 701 CB ASP A 41 26.263 12.471 4.495 1.00 0.00 C ATOM 702 CG ASP A 41 25.000 11.638 4.402 1.00 0.00 C ATOM 703 OD1 ASP A 41 24.125 11.976 3.577 1.00 0.00 O ATOM 704 OD2 ASP A 41 24.887 10.646 5.153 1.00 0.00 O ATOM 705 OXT ASP A 41 28.955 12.900 4.731 1.00 0.00 O ATOM 0 H ASP A 41 28.111 10.431 3.272 1.00 0.00 H new ATOM 0 HA ASP A 41 26.725 12.832 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 41 26.815 12.190 5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 41 25.994 13.522 4.602 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 34.150 -9.894 -0.715 1.00 0.00 N ATOM 712 CA ALA B 1 32.835 -9.421 -0.211 1.00 0.00 C ATOM 713 C ALA B 1 32.394 -8.155 -0.938 1.00 0.00 C ATOM 714 O ALA B 1 32.806 -7.050 -0.586 1.00 0.00 O ATOM 715 CB ALA B 1 32.903 -9.172 1.287 1.00 0.00 C ATOM 0 H1 ALA B 1 34.428 -10.756 -0.204 1.00 0.00 H new ATOM 0 H2 ALA B 1 34.078 -10.102 -1.732 1.00 0.00 H new ATOM 0 H3 ALA B 1 34.866 -9.156 -0.562 1.00 0.00 H new ATOM 0 HA ALA B 1 32.097 -10.199 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA B 1 31.933 -8.826 1.643 1.00 0.00 H new ATOM 0 HB2 ALA B 1 33.168 -10.098 1.798 1.00 0.00 H new ATOM 0 HB3 ALA B 1 33.658 -8.414 1.496 1.00 0.00 H new ATOM 723 N LEU B 2 31.554 -8.324 -1.955 1.00 0.00 N ATOM 724 CA LEU B 2 31.057 -7.195 -2.731 1.00 0.00 C ATOM 725 C LEU B 2 29.859 -6.546 -2.044 1.00 0.00 C ATOM 726 O LEU B 2 29.133 -7.200 -1.296 1.00 0.00 O ATOM 727 CB LEU B 2 30.668 -7.648 -4.139 1.00 0.00 C ATOM 728 CG LEU B 2 31.811 -8.233 -4.971 1.00 0.00 C ATOM 729 CD1 LEU B 2 32.281 -9.552 -4.378 1.00 0.00 C ATOM 730 CD2 LEU B 2 31.375 -8.422 -6.417 1.00 0.00 C ATOM 0 H LEU B 2 31.204 -9.232 -2.260 1.00 0.00 H new ATOM 0 HA LEU B 2 31.856 -6.457 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU B 2 29.878 -8.395 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU B 2 30.248 -6.797 -4.675 1.00 0.00 H new ATOM 0 HG LEU B 2 32.645 -7.532 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU B 2 33.094 -9.954 -4.983 1.00 0.00 H new ATOM 0 HD12 LEU B 2 32.633 -9.388 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU B 2 31.453 -10.261 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU B 2 32.200 -8.839 -6.994 1.00 0.00 H new ATOM 0 HD22 LEU B 2 30.525 -9.103 -6.455 1.00 0.00 H new ATOM 0 HD23 LEU B 2 31.087 -7.459 -6.839 1.00 0.00 H new ATOM 742 N LYS B 3 29.660 -5.259 -2.304 1.00 0.00 N ATOM 743 CA LYS B 3 28.549 -4.523 -1.712 1.00 0.00 C ATOM 744 C LYS B 3 27.447 -4.279 -2.737 1.00 0.00 C ATOM 745 O LYS B 3 26.668 -3.335 -2.613 1.00 0.00 O ATOM 746 CB LYS B 3 29.038 -3.189 -1.144 1.00 0.00 C ATOM 747 CG LYS B 3 29.302 -3.225 0.352 1.00 0.00 C ATOM 748 CD LYS B 3 30.693 -3.755 0.660 1.00 0.00 C ATOM 749 CE LYS B 3 30.646 -4.883 1.678 1.00 0.00 C ATOM 750 NZ LYS B 3 31.544 -4.623 2.837 1.00 0.00 N ATOM 0 H LYS B 3 30.253 -4.704 -2.921 1.00 0.00 H new ATOM 0 HA LYS B 3 28.138 -5.127 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS B 3 29.953 -2.898 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS B 3 28.295 -2.420 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS B 3 29.194 -2.222 0.766 1.00 0.00 H new ATOM 0 HG3 LYS B 3 28.556 -3.853 0.839 1.00 0.00 H new ATOM 0 HD2 LYS B 3 31.159 -4.111 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS B 3 31.316 -2.946 1.041 1.00 0.00 H new ATOM 0 HE2 LYS B 3 29.623 -5.010 2.033 1.00 0.00 H new ATOM 0 HE3 LYS B 3 30.935 -5.818 1.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 31.483 -5.415 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 32.524 -4.527 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 31.253 -3.744 3.311 1.00 0.00 H new ATOM 764 N LYS B 4 27.387 -5.138 -3.750 1.00 0.00 N ATOM 765 CA LYS B 4 26.379 -5.016 -4.797 1.00 0.00 C ATOM 766 C LYS B 4 25.043 -5.589 -4.333 1.00 0.00 C ATOM 767 O LYS B 4 23.980 -5.079 -4.688 1.00 0.00 O ATOM 768 CB LYS B 4 26.842 -5.732 -6.067 1.00 0.00 C ATOM 769 CG LYS B 4 27.867 -4.947 -6.869 1.00 0.00 C ATOM 770 CD LYS B 4 27.592 -5.035 -8.361 1.00 0.00 C ATOM 771 CE LYS B 4 27.891 -6.425 -8.900 1.00 0.00 C ATOM 772 NZ LYS B 4 26.843 -6.888 -9.853 1.00 0.00 N ATOM 0 H LYS B 4 28.024 -5.926 -3.868 1.00 0.00 H new ATOM 0 HA LYS B 4 26.244 -3.957 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS B 4 27.268 -6.698 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS B 4 25.976 -5.932 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS B 4 27.853 -3.903 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS B 4 28.866 -5.330 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS B 4 26.549 -4.784 -8.556 1.00 0.00 H new ATOM 0 HD3 LYS B 4 28.200 -4.300 -8.888 1.00 0.00 H new ATOM 0 HE2 LYS B 4 28.860 -6.420 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS B 4 27.964 -7.128 -8.070 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 27.083 -7.839 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 25.923 -6.917 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 26.791 -6.231 -10.658 1.00 0.00 H new ATOM 786 N HIS B 5 25.106 -6.651 -3.537 1.00 0.00 N ATOM 787 CA HIS B 5 23.903 -7.294 -3.023 1.00 0.00 C ATOM 788 C HIS B 5 23.045 -6.303 -2.243 1.00 0.00 C ATOM 789 O HIS B 5 21.837 -6.491 -2.102 1.00 0.00 O ATOM 790 CB HIS B 5 24.275 -8.479 -2.130 1.00 0.00 C ATOM 791 CG HIS B 5 24.971 -8.079 -0.866 1.00 0.00 C ATOM 792 ND1 HIS B 5 25.801 -7.042 -0.600 1.00 0.00 N flip ATOM 793 CD2 HIS B 5 24.851 -8.782 0.316 1.00 0.00 C flip ATOM 794 CE1 HIS B 5 26.161 -7.137 0.721 1.00 0.00 C flip ATOM 795 NE2 HIS B 5 25.575 -8.194 1.252 1.00 0.00 N flip ATOM 0 H HIS B 5 25.978 -7.085 -3.234 1.00 0.00 H new ATOM 0 HA HIS B 5 23.324 -7.656 -3.873 1.00 0.00 H new ATOM 0 HB2 HIS B 5 23.370 -9.032 -1.878 1.00 0.00 H new ATOM 0 HB3 HIS B 5 24.918 -9.158 -2.690 1.00 0.00 H new ATOM 0 HD2 HIS B 5 24.258 -9.674 0.454 1.00 0.00 H new ATOM 0 HE1 HIS B 5 26.818 -6.456 1.242 1.00 0.00 H new ATOM 0 HE2 HIS B 5 25.666 -8.504 2.220 1.00 0.00 H new ATOM 804 N HIS B 6 23.676 -5.248 -1.738 1.00 0.00 N ATOM 805 CA HIS B 6 22.969 -4.229 -0.971 1.00 0.00 C ATOM 806 C HIS B 6 21.996 -3.458 -1.856 1.00 0.00 C ATOM 807 O HIS B 6 20.807 -3.374 -1.557 1.00 0.00 O ATOM 808 CB HIS B 6 23.965 -3.262 -0.326 1.00 0.00 C ATOM 809 CG HIS B 6 24.097 -3.438 1.155 1.00 0.00 C ATOM 810 ND1 HIS B 6 24.131 -4.673 1.767 1.00 0.00 N ATOM 811 CD2 HIS B 6 24.206 -2.525 2.149 1.00 0.00 C ATOM 812 CE1 HIS B 6 24.254 -4.513 3.072 1.00 0.00 C ATOM 813 NE2 HIS B 6 24.302 -3.220 3.330 1.00 0.00 N ATOM 0 H HIS B 6 24.676 -5.076 -1.846 1.00 0.00 H new ATOM 0 HA HIS B 6 22.400 -4.730 -0.188 1.00 0.00 H new ATOM 0 HB2 HIS B 6 24.943 -3.398 -0.788 1.00 0.00 H new ATOM 0 HB3 HIS B 6 23.653 -2.239 -0.536 1.00 0.00 H new ATOM 0 HD2 HIS B 6 24.216 -1.451 2.035 1.00 0.00 H new ATOM 0 HE1 HIS B 6 24.306 -5.306 3.804 1.00 0.00 H new ATOM 0 HE2 HIS B 6 24.395 -2.804 4.257 1.00 0.00 H new ATOM 822 N GLU B 7 22.509 -2.894 -2.944 1.00 0.00 N ATOM 823 CA GLU B 7 21.680 -2.131 -3.869 1.00 0.00 C ATOM 824 C GLU B 7 20.566 -2.999 -4.445 1.00 0.00 C ATOM 825 O GLU B 7 19.518 -2.495 -4.847 1.00 0.00 O ATOM 826 CB GLU B 7 22.534 -1.556 -5.001 1.00 0.00 C ATOM 827 CG GLU B 7 22.206 -0.109 -5.335 1.00 0.00 C ATOM 828 CD GLU B 7 21.389 0.024 -6.605 1.00 0.00 C ATOM 829 OE1 GLU B 7 20.238 -0.463 -6.625 1.00 0.00 O ATOM 830 OE2 GLU B 7 21.898 0.616 -7.580 1.00 0.00 O ATOM 0 H GLU B 7 23.493 -2.951 -3.206 1.00 0.00 H new ATOM 0 HA GLU B 7 21.226 -1.309 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU B 7 23.586 -1.627 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU B 7 22.398 -2.166 -5.894 1.00 0.00 H new ATOM 0 HG2 GLU B 7 21.657 0.336 -4.505 1.00 0.00 H new ATOM 0 HG3 GLU B 7 23.133 0.455 -5.443 1.00 0.00 H new ATOM 837 N ASN B 8 20.800 -4.306 -4.479 1.00 0.00 N ATOM 838 CA ASN B 8 19.814 -5.243 -5.001 1.00 0.00 C ATOM 839 C ASN B 8 18.634 -5.367 -4.042 1.00 0.00 C ATOM 840 O ASN B 8 17.474 -5.296 -4.452 1.00 0.00 O ATOM 841 CB ASN B 8 20.451 -6.615 -5.227 1.00 0.00 C ATOM 842 CG ASN B 8 20.309 -7.088 -6.661 1.00 0.00 C ATOM 843 OD1 ASN B 8 19.235 -6.987 -7.256 1.00 0.00 O ATOM 844 ND2 ASN B 8 21.394 -7.608 -7.223 1.00 0.00 N ATOM 0 H ASN B 8 21.663 -4.740 -4.152 1.00 0.00 H new ATOM 0 HA ASN B 8 19.450 -4.862 -5.955 1.00 0.00 H new ATOM 0 HB2 ASN B 8 21.508 -6.570 -4.965 1.00 0.00 H new ATOM 0 HB3 ASN B 8 19.988 -7.342 -4.560 1.00 0.00 H new ATOM 0 HD21 ASN B 8 21.359 -7.944 -8.186 1.00 0.00 H new ATOM 0 HD22 ASN B 8 22.263 -7.672 -6.692 1.00 0.00 H new ATOM 851 N GLU B 9 18.940 -5.549 -2.761 1.00 0.00 N ATOM 852 CA GLU B 9 17.904 -5.678 -1.744 1.00 0.00 C ATOM 853 C GLU B 9 17.044 -4.425 -1.692 1.00 0.00 C ATOM 854 O GLU B 9 15.821 -4.506 -1.580 1.00 0.00 O ATOM 855 CB GLU B 9 18.531 -5.944 -0.375 1.00 0.00 C ATOM 856 CG GLU B 9 17.591 -6.629 0.603 1.00 0.00 C ATOM 857 CD GLU B 9 17.497 -8.125 0.369 1.00 0.00 C ATOM 858 OE1 GLU B 9 18.458 -8.842 0.719 1.00 0.00 O ATOM 859 OE2 GLU B 9 16.461 -8.579 -0.163 1.00 0.00 O ATOM 0 H GLU B 9 19.894 -5.610 -2.404 1.00 0.00 H new ATOM 0 HA GLU B 9 17.269 -6.523 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU B 9 19.419 -6.562 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU B 9 18.861 -4.998 0.054 1.00 0.00 H new ATOM 0 HG2 GLU B 9 17.934 -6.445 1.621 1.00 0.00 H new ATOM 0 HG3 GLU B 9 16.598 -6.188 0.517 1.00 0.00 H new ATOM 866 N ILE B 10 17.684 -3.264 -1.781 1.00 0.00 N ATOM 867 CA ILE B 10 16.957 -2.008 -1.750 1.00 0.00 C ATOM 868 C ILE B 10 16.170 -1.816 -3.040 1.00 0.00 C ATOM 869 O ILE B 10 15.162 -1.123 -3.064 1.00 0.00 O ATOM 870 CB ILE B 10 17.892 -0.803 -1.504 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.695 -0.443 -2.754 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.834 -1.103 -0.352 1.00 0.00 C ATOM 873 CD1 ILE B 10 19.606 0.747 -2.546 1.00 0.00 C ATOM 0 H ILE B 10 18.695 -3.170 -1.874 1.00 0.00 H new ATOM 0 HA ILE B 10 16.261 -2.056 -0.913 1.00 0.00 H new ATOM 0 HB ILE B 10 17.268 0.054 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE B 10 19.292 -1.303 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE B 10 18.007 -0.229 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE B 10 19.489 -0.248 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE B 10 18.255 -1.297 0.551 1.00 0.00 H new ATOM 0 HG23 ILE B 10 19.435 -1.980 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.150 0.954 -3.468 1.00 0.00 H new ATOM 0 HD12 ILE B 10 19.010 1.618 -2.272 1.00 0.00 H new ATOM 0 HD13 ILE B 10 20.315 0.527 -1.748 1.00 0.00 H new ATOM 885 N SER B 11 16.622 -2.453 -4.111 1.00 0.00 N ATOM 886 CA SER B 11 15.927 -2.354 -5.385 1.00 0.00 C ATOM 887 C SER B 11 14.547 -2.987 -5.266 1.00 0.00 C ATOM 888 O SER B 11 13.557 -2.464 -5.790 1.00 0.00 O ATOM 889 CB SER B 11 16.731 -3.041 -6.490 1.00 0.00 C ATOM 890 OG SER B 11 16.432 -2.484 -7.760 1.00 0.00 O ATOM 0 H SER B 11 17.458 -3.038 -4.124 1.00 0.00 H new ATOM 0 HA SER B 11 15.817 -1.301 -5.646 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.797 -2.938 -6.286 1.00 0.00 H new ATOM 0 HB3 SER B 11 16.509 -4.108 -6.496 1.00 0.00 H new ATOM 0 HG SER B 11 16.960 -2.939 -8.449 1.00 0.00 H new ATOM 896 N HIS B 12 14.484 -4.113 -4.559 1.00 0.00 N ATOM 897 CA HIS B 12 13.228 -4.813 -4.357 1.00 0.00 C ATOM 898 C HIS B 12 12.345 -4.037 -3.373 1.00 0.00 C ATOM 899 O HIS B 12 11.121 -4.039 -3.496 1.00 0.00 O ATOM 900 CB HIS B 12 13.511 -6.261 -3.894 1.00 0.00 C ATOM 901 CG HIS B 12 12.649 -6.769 -2.774 1.00 0.00 C ATOM 902 ND1 HIS B 12 12.836 -6.737 -1.436 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 11.437 -7.398 -2.975 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 11.747 -7.339 -0.857 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 10.917 -7.728 -1.806 1.00 0.00 N flip ATOM 0 H HIS B 12 15.290 -4.556 -4.119 1.00 0.00 H new ATOM 0 HA HIS B 12 12.676 -4.874 -5.295 1.00 0.00 H new ATOM 0 HB2 HIS B 12 13.392 -6.926 -4.749 1.00 0.00 H new ATOM 0 HB3 HIS B 12 14.554 -6.326 -3.583 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.985 -7.590 -3.937 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.594 -7.473 0.204 1.00 0.00 H new ATOM 0 HE2 HIS B 12 10.026 -8.203 -1.662 1.00 0.00 H new ATOM 914 N HIS B 13 12.971 -3.369 -2.405 1.00 0.00 N ATOM 915 CA HIS B 13 12.222 -2.589 -1.425 1.00 0.00 C ATOM 916 C HIS B 13 11.573 -1.383 -2.084 1.00 0.00 C ATOM 917 O HIS B 13 10.523 -0.926 -1.649 1.00 0.00 O ATOM 918 CB HIS B 13 13.121 -2.102 -0.293 1.00 0.00 C ATOM 919 CG HIS B 13 13.933 -3.169 0.356 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.534 -4.486 0.448 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.135 -3.096 0.960 1.00 0.00 C ATOM 922 CE1 HIS B 13 14.464 -5.178 1.085 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.447 -4.356 1.405 1.00 0.00 N ATOM 0 H HIS B 13 13.983 -3.353 -2.280 1.00 0.00 H new ATOM 0 HA HIS B 13 11.455 -3.245 -1.013 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.794 -1.339 -0.684 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.501 -1.623 0.465 1.00 0.00 H new ATOM 0 HD1 HIS B 13 12.661 -4.866 0.083 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.741 -2.209 1.073 1.00 0.00 H new ATOM 0 HE1 HIS B 13 14.426 -6.235 1.306 1.00 0.00 H new ATOM 932 N ALA B 14 12.206 -0.867 -3.133 1.00 0.00 N ATOM 933 CA ALA B 14 11.679 0.290 -3.841 1.00 0.00 C ATOM 934 C ALA B 14 10.422 -0.089 -4.604 1.00 0.00 C ATOM 935 O ALA B 14 9.374 0.535 -4.441 1.00 0.00 O ATOM 936 CB ALA B 14 12.727 0.863 -4.784 1.00 0.00 C ATOM 0 H ALA B 14 13.081 -1.232 -3.509 1.00 0.00 H new ATOM 0 HA ALA B 14 11.423 1.058 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.314 1.727 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.603 1.168 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.015 0.105 -5.512 1.00 0.00 H new ATOM 942 N LYS B 15 10.523 -1.129 -5.423 1.00 0.00 N ATOM 943 CA LYS B 15 9.373 -1.593 -6.183 1.00 0.00 C ATOM 944 C LYS B 15 8.281 -2.085 -5.237 1.00 0.00 C ATOM 945 O LYS B 15 7.106 -2.136 -5.600 1.00 0.00 O ATOM 946 CB LYS B 15 9.781 -2.710 -7.145 1.00 0.00 C ATOM 947 CG LYS B 15 9.661 -2.326 -8.611 1.00 0.00 C ATOM 948 CD LYS B 15 10.578 -3.167 -9.484 1.00 0.00 C ATOM 949 CE LYS B 15 11.487 -2.296 -10.337 1.00 0.00 C ATOM 950 NZ LYS B 15 10.713 -1.439 -11.276 1.00 0.00 N ATOM 0 H LYS B 15 11.380 -1.661 -5.576 1.00 0.00 H new ATOM 0 HA LYS B 15 8.984 -0.759 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.811 -2.999 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.160 -3.586 -6.956 1.00 0.00 H new ATOM 0 HG2 LYS B 15 8.629 -2.452 -8.938 1.00 0.00 H new ATOM 0 HG3 LYS B 15 9.907 -1.271 -8.733 1.00 0.00 H new ATOM 0 HD2 LYS B 15 11.183 -3.820 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS B 15 9.979 -3.811 -10.128 1.00 0.00 H new ATOM 0 HE2 LYS B 15 12.098 -1.666 -9.690 1.00 0.00 H new ATOM 0 HE3 LYS B 15 12.170 -2.929 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 11.340 -1.098 -12.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 9.938 -1.993 -11.693 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 10.319 -0.627 -10.760 1.00 0.00 H new ATOM 964 N GLU B 16 8.680 -2.443 -4.016 1.00 0.00 N ATOM 965 CA GLU B 16 7.741 -2.926 -3.014 1.00 0.00 C ATOM 966 C GLU B 16 6.907 -1.782 -2.448 1.00 0.00 C ATOM 967 O GLU B 16 5.696 -1.919 -2.272 1.00 0.00 O ATOM 968 CB GLU B 16 8.491 -3.633 -1.884 1.00 0.00 C ATOM 969 CG GLU B 16 8.631 -5.132 -2.091 1.00 0.00 C ATOM 970 CD GLU B 16 7.302 -5.857 -2.024 1.00 0.00 C ATOM 971 OE1 GLU B 16 6.476 -5.671 -2.943 1.00 0.00 O ATOM 972 OE2 GLU B 16 7.086 -6.612 -1.052 1.00 0.00 O ATOM 0 H GLU B 16 9.649 -2.406 -3.701 1.00 0.00 H new ATOM 0 HA GLU B 16 7.068 -3.635 -3.496 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.484 -3.194 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU B 16 7.970 -3.452 -0.944 1.00 0.00 H new ATOM 0 HG2 GLU B 16 9.094 -5.319 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU B 16 9.301 -5.539 -1.333 1.00 0.00 H new ATOM 979 N ILE B 17 7.551 -0.651 -2.162 1.00 0.00 N ATOM 980 CA ILE B 17 6.842 0.499 -1.617 1.00 0.00 C ATOM 981 C ILE B 17 5.879 1.079 -2.656 1.00 0.00 C ATOM 982 O ILE B 17 4.750 1.447 -2.333 1.00 0.00 O ATOM 983 CB ILE B 17 7.828 1.588 -1.096 1.00 0.00 C ATOM 984 CG1 ILE B 17 8.274 2.547 -2.210 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.043 0.942 -0.455 1.00 0.00 C ATOM 986 CD1 ILE B 17 7.273 3.644 -2.502 1.00 0.00 C ATOM 0 H ILE B 17 8.552 -0.510 -2.298 1.00 0.00 H new ATOM 0 HA ILE B 17 6.259 0.156 -0.762 1.00 0.00 H new ATOM 0 HB ILE B 17 7.291 2.174 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE B 17 9.225 3.000 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE B 17 8.450 1.975 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.721 1.717 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE B 17 8.726 0.322 0.383 1.00 0.00 H new ATOM 0 HG23 ILE B 17 9.556 0.323 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE B 17 7.655 4.282 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE B 17 6.328 3.200 -2.814 1.00 0.00 H new ATOM 0 HD13 ILE B 17 7.115 4.241 -1.604 1.00 0.00 H new ATOM 998 N GLU B 18 6.331 1.142 -3.905 1.00 0.00 N ATOM 999 CA GLU B 18 5.507 1.666 -4.987 1.00 0.00 C ATOM 1000 C GLU B 18 4.367 0.706 -5.313 1.00 0.00 C ATOM 1001 O GLU B 18 3.317 1.118 -5.805 1.00 0.00 O ATOM 1002 CB GLU B 18 6.358 1.907 -6.235 1.00 0.00 C ATOM 1003 CG GLU B 18 6.632 3.377 -6.510 1.00 0.00 C ATOM 1004 CD GLU B 18 7.090 3.629 -7.932 1.00 0.00 C ATOM 1005 OE1 GLU B 18 7.882 2.815 -8.454 1.00 0.00 O ATOM 1006 OE2 GLU B 18 6.658 4.639 -8.526 1.00 0.00 O ATOM 0 H GLU B 18 7.261 0.837 -4.192 1.00 0.00 H new ATOM 0 HA GLU B 18 5.080 2.614 -4.659 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.308 1.384 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU B 18 5.854 1.472 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.728 3.954 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.394 3.736 -5.818 1.00 0.00 H new ATOM 1013 N ARG B 19 4.583 -0.576 -5.035 1.00 0.00 N ATOM 1014 CA ARG B 19 3.574 -1.594 -5.299 1.00 0.00 C ATOM 1015 C ARG B 19 2.464 -1.550 -4.254 1.00 0.00 C ATOM 1016 O ARG B 19 1.299 -1.797 -4.564 1.00 0.00 O ATOM 1017 CB ARG B 19 4.215 -2.983 -5.324 1.00 0.00 C ATOM 1018 CG ARG B 19 4.605 -3.449 -6.717 1.00 0.00 C ATOM 1019 CD ARG B 19 5.208 -4.844 -6.690 1.00 0.00 C ATOM 1020 NE ARG B 19 4.184 -5.884 -6.703 1.00 0.00 N ATOM 1021 CZ ARG B 19 3.364 -6.098 -7.728 1.00 0.00 C ATOM 1022 NH1 ARG B 19 3.451 -5.346 -8.817 1.00 0.00 N ATOM 1023 NH2 ARG B 19 2.459 -7.064 -7.664 1.00 0.00 N ATOM 0 H ARG B 19 5.447 -0.934 -4.627 1.00 0.00 H new ATOM 0 HA ARG B 19 3.134 -1.387 -6.274 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.102 -2.976 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG B 19 3.520 -3.702 -4.891 1.00 0.00 H new ATOM 0 HG2 ARG B 19 3.727 -3.444 -7.363 1.00 0.00 H new ATOM 0 HG3 ARG B 19 5.322 -2.750 -7.148 1.00 0.00 H new ATOM 0 HD2 ARG B 19 5.865 -4.971 -7.551 1.00 0.00 H new ATOM 0 HD3 ARG B 19 5.825 -4.955 -5.799 1.00 0.00 H new ATOM 0 HE ARG B 19 4.092 -6.480 -5.880 1.00 0.00 H new ATOM 0 HH11 ARG B 19 4.147 -4.603 -8.869 1.00 0.00 H new ATOM 0 HH12 ARG B 19 2.822 -5.511 -9.602 1.00 0.00 H new ATOM 0 HH21 ARG B 19 2.391 -7.644 -6.828 1.00 0.00 H new ATOM 0 HH22 ARG B 19 1.831 -7.227 -8.451 1.00 0.00 H new ATOM 1037 N LEU B 20 2.830 -1.231 -3.016 1.00 0.00 N ATOM 1038 CA LEU B 20 1.856 -1.153 -1.936 1.00 0.00 C ATOM 1039 C LEU B 20 0.961 0.066 -2.116 1.00 0.00 C ATOM 1040 O LEU B 20 -0.234 0.022 -1.821 1.00 0.00 O ATOM 1041 CB LEU B 20 2.563 -1.095 -0.582 1.00 0.00 C ATOM 1042 CG LEU B 20 2.837 -2.454 0.066 1.00 0.00 C ATOM 1043 CD1 LEU B 20 1.553 -3.259 0.178 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.883 -3.220 -0.731 1.00 0.00 C ATOM 0 H LEU B 20 3.789 -1.024 -2.738 1.00 0.00 H new ATOM 0 HA LEU B 20 1.236 -2.049 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.511 -0.572 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.958 -0.499 0.101 1.00 0.00 H new ATOM 0 HG LEU B 20 3.224 -2.287 1.071 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.767 -4.222 0.641 1.00 0.00 H new ATOM 0 HD12 LEU B 20 0.834 -2.714 0.790 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.136 -3.419 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU B 20 4.067 -4.184 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU B 20 3.522 -3.378 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.810 -2.647 -0.760 1.00 0.00 H new ATOM 1056 N GLN B 21 1.545 1.152 -2.613 1.00 0.00 N ATOM 1057 CA GLN B 21 0.796 2.381 -2.843 1.00 0.00 C ATOM 1058 C GLN B 21 -0.222 2.184 -3.962 1.00 0.00 C ATOM 1059 O GLN B 21 -1.382 2.576 -3.837 1.00 0.00 O ATOM 1060 CB GLN B 21 1.746 3.527 -3.198 1.00 0.00 C ATOM 1061 CG GLN B 21 1.556 4.764 -2.336 1.00 0.00 C ATOM 1062 CD GLN B 21 0.592 5.761 -2.949 1.00 0.00 C ATOM 1063 OE1 GLN B 21 1.003 6.693 -3.640 1.00 0.00 O ATOM 1064 NE2 GLN B 21 -0.697 5.569 -2.698 1.00 0.00 N ATOM 0 H GLN B 21 2.532 1.205 -2.863 1.00 0.00 H new ATOM 0 HA GLN B 21 0.265 2.635 -1.926 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.774 3.179 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.601 3.797 -4.244 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.188 4.465 -1.355 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.521 5.246 -2.181 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -0.992 4.782 -2.120 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -1.392 6.208 -3.084 1.00 0.00 H new ATOM 1073 N LYS B 22 0.220 1.566 -5.053 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.657 1.310 -6.188 1.00 0.00 C ATOM 1075 C LYS B 22 -1.805 0.396 -5.776 1.00 0.00 C ATOM 1076 O LYS B 22 -2.915 0.501 -6.298 1.00 0.00 O ATOM 1077 CB LYS B 22 0.131 0.678 -7.337 1.00 0.00 C ATOM 1078 CG LYS B 22 0.406 1.636 -8.485 1.00 0.00 C ATOM 1079 CD LYS B 22 1.365 2.741 -8.072 1.00 0.00 C ATOM 1080 CE LYS B 22 0.625 3.930 -7.482 1.00 0.00 C ATOM 1081 NZ LYS B 22 1.369 5.203 -7.684 1.00 0.00 N ATOM 0 H LYS B 22 1.177 1.235 -5.174 1.00 0.00 H new ATOM 0 HA LYS B 22 -1.070 2.260 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.079 0.303 -6.953 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.422 -0.181 -7.716 1.00 0.00 H new ATOM 0 HG2 LYS B 22 0.825 1.085 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.531 2.075 -8.826 1.00 0.00 H new ATOM 0 HD2 LYS B 22 2.075 2.354 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS B 22 1.943 3.064 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.360 4.009 -7.941 1.00 0.00 H new ATOM 0 HE3 LYS B 22 0.468 3.767 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 0.831 5.989 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 2.299 5.138 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 1.497 5.372 -8.702 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.528 -0.498 -4.833 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.536 -1.429 -4.345 1.00 0.00 C ATOM 1097 C GLU B 23 -3.652 -0.686 -3.624 1.00 0.00 C ATOM 1098 O GLU B 23 -4.830 -0.904 -3.901 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.903 -2.463 -3.412 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.734 -3.725 -3.251 1.00 0.00 C ATOM 1101 CD GLU B 23 -3.217 -4.278 -4.577 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -2.363 -4.645 -5.413 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -4.447 -4.346 -4.781 1.00 0.00 O ATOM 0 H GLU B 23 -0.614 -0.597 -4.392 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.964 -1.947 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.919 -2.732 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.750 -2.011 -2.432 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.141 -4.483 -2.740 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -3.594 -3.511 -2.616 1.00 0.00 H new ATOM 1110 N ILE B 24 -3.280 0.199 -2.704 1.00 0.00 N ATOM 1111 CA ILE B 24 -4.267 0.972 -1.962 1.00 0.00 C ATOM 1112 C ILE B 24 -5.045 1.887 -2.904 1.00 0.00 C ATOM 1113 O ILE B 24 -6.168 2.290 -2.603 1.00 0.00 O ATOM 1114 CB ILE B 24 -3.617 1.818 -0.845 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -4.668 2.687 -0.149 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -2.497 2.677 -1.408 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -4.094 3.602 0.908 1.00 0.00 C ATOM 0 H ILE B 24 -2.310 0.397 -2.457 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.947 0.259 -1.496 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.189 1.141 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -5.183 3.289 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -5.416 2.040 0.310 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -2.052 3.266 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.736 2.036 -1.854 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -2.899 3.346 -2.169 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -4.896 4.187 1.358 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -3.604 3.006 1.678 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.367 4.274 0.452 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.444 2.206 -4.047 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.091 3.063 -5.032 1.00 0.00 C ATOM 1131 C GLU B 25 -6.296 2.356 -5.642 1.00 0.00 C ATOM 1132 O GLU B 25 -7.388 2.920 -5.721 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.101 3.455 -6.130 1.00 0.00 C ATOM 1134 CG GLU B 25 -4.341 4.845 -6.698 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.989 4.811 -8.068 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -4.432 4.153 -8.972 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -6.054 5.441 -8.237 1.00 0.00 O ATOM 0 H GLU B 25 -3.513 1.884 -4.312 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.433 3.968 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.089 3.405 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.160 2.726 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.976 5.408 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -3.391 5.376 -6.762 1.00 0.00 H new ATOM 1144 N ARG B 26 -6.092 1.111 -6.066 1.00 0.00 N ATOM 1145 CA ARG B 26 -7.167 0.326 -6.660 1.00 0.00 C ATOM 1146 C ARG B 26 -8.243 0.022 -5.624 1.00 0.00 C ATOM 1147 O ARG B 26 -9.438 0.010 -5.933 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.616 -0.976 -7.243 1.00 0.00 C ATOM 1149 CG ARG B 26 -6.339 -0.907 -8.735 1.00 0.00 C ATOM 1150 CD ARG B 26 -5.230 0.083 -9.050 1.00 0.00 C ATOM 1151 NE ARG B 26 -4.298 -0.437 -10.047 1.00 0.00 N ATOM 1152 CZ ARG B 26 -4.629 -0.667 -11.314 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -5.863 -0.421 -11.734 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -3.726 -1.141 -12.162 1.00 0.00 N ATOM 0 H ARG B 26 -5.196 0.627 -6.009 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.614 0.910 -7.465 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.694 -1.235 -6.723 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -7.327 -1.779 -7.051 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -6.061 -1.895 -9.101 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.248 -0.617 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -5.667 1.013 -9.413 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -4.687 0.321 -8.136 1.00 0.00 H new ATOM 0 HE ARG B 26 -3.341 -0.635 -9.755 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -6.559 -0.055 -11.085 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -6.116 -0.598 -12.706 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -2.776 -1.330 -11.842 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -3.982 -1.317 -13.134 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.812 -0.211 -4.388 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.734 -0.501 -3.305 1.00 0.00 C ATOM 1170 C HIS B 27 -9.456 0.768 -2.871 1.00 0.00 C ATOM 1171 O HIS B 27 -10.524 0.704 -2.268 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.980 -1.111 -2.124 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.463 -2.477 -1.748 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -8.028 -3.703 -2.125 1.00 0.00 N flip ATOM 1175 CD2 HIS B 27 -9.518 -2.694 -0.887 1.00 0.00 C flip ATOM 1176 CE1 HIS B 27 -8.822 -4.627 -1.490 1.00 0.00 C flip ATOM 1177 NE2 HIS B 27 -9.711 -3.994 -0.749 1.00 0.00 N flip ATOM 0 H HIS B 27 -6.829 -0.204 -4.116 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.475 -1.218 -3.658 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.919 -1.164 -2.369 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.075 -0.451 -1.262 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -7.256 -3.903 -2.761 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -10.096 -1.922 -0.401 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -8.733 -5.699 -1.583 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.866 1.920 -3.188 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.455 3.203 -2.837 1.00 0.00 C ATOM 1188 C LYS B 28 -10.592 3.545 -3.788 1.00 0.00 C ATOM 1189 O LYS B 28 -11.571 4.180 -3.397 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.394 4.304 -2.868 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.950 5.692 -2.590 1.00 0.00 C ATOM 1192 CD LYS B 28 -8.288 6.742 -3.466 1.00 0.00 C ATOM 1193 CE LYS B 28 -9.141 7.072 -4.681 1.00 0.00 C ATOM 1194 NZ LYS B 28 -9.314 8.540 -4.856 1.00 0.00 N ATOM 0 H LYS B 28 -7.979 1.987 -3.688 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.856 3.131 -1.826 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.624 4.076 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.911 4.304 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.026 5.696 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.797 5.943 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.116 7.647 -2.884 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.312 6.383 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.678 6.652 -5.574 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.119 6.601 -4.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.328 8.766 -4.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.895 9.038 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.841 8.843 -5.731 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.459 3.114 -5.036 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.482 3.368 -6.041 1.00 0.00 C ATOM 1210 C GLN B 29 -12.709 2.505 -5.776 1.00 0.00 C ATOM 1211 O GLN B 29 -13.844 2.972 -5.878 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.936 3.088 -7.443 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.980 3.218 -8.539 1.00 0.00 C ATOM 1214 CD GLN B 29 -11.791 4.466 -9.379 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -12.620 5.374 -9.358 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -10.693 4.516 -10.124 1.00 0.00 N ATOM 0 H GLN B 29 -9.654 2.588 -5.376 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.770 4.418 -5.982 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -10.117 3.777 -7.649 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.519 2.081 -7.467 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -11.936 2.340 -9.184 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -12.973 3.234 -8.090 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -10.032 3.739 -10.111 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.511 5.331 -10.710 1.00 0.00 H new ATOM 1225 N SER B 30 -12.474 1.242 -5.431 1.00 0.00 N ATOM 1226 CA SER B 30 -13.564 0.315 -5.147 1.00 0.00 C ATOM 1227 C SER B 30 -14.307 0.717 -3.874 1.00 0.00 C ATOM 1228 O SER B 30 -15.537 0.699 -3.829 1.00 0.00 O ATOM 1229 CB SER B 30 -13.026 -1.110 -5.009 1.00 0.00 C ATOM 1230 OG SER B 30 -13.208 -1.843 -6.209 1.00 0.00 O ATOM 0 H SER B 30 -11.541 0.838 -5.342 1.00 0.00 H new ATOM 0 HA SER B 30 -14.265 0.353 -5.981 1.00 0.00 H new ATOM 0 HB2 SER B 30 -11.966 -1.079 -4.755 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.535 -1.616 -4.189 1.00 0.00 H new ATOM 0 HG SER B 30 -12.854 -2.750 -6.095 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.551 1.076 -2.840 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.135 1.478 -1.563 1.00 0.00 C ATOM 1238 C ILE B 31 -14.820 2.836 -1.668 1.00 0.00 C ATOM 1239 O ILE B 31 -15.771 3.120 -0.938 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.065 1.528 -0.451 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.660 1.993 0.876 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.928 2.458 -0.843 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.486 0.941 1.567 1.00 0.00 C ATOM 0 H ILE B 31 -12.531 1.097 -2.861 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.881 0.727 -1.304 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.681 0.515 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -12.852 2.302 1.539 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.280 2.872 0.699 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.184 2.479 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.465 2.099 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.318 3.463 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -14.876 1.341 2.503 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.315 0.649 0.923 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.865 0.070 1.776 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.338 3.669 -2.581 1.00 0.00 N ATOM 1256 CA LYS B 32 -14.912 4.993 -2.780 1.00 0.00 C ATOM 1257 C LYS B 32 -16.180 4.916 -3.625 1.00 0.00 C ATOM 1258 O LYS B 32 -17.022 5.812 -3.579 1.00 0.00 O ATOM 1259 CB LYS B 32 -13.894 5.918 -3.450 1.00 0.00 C ATOM 1260 CG LYS B 32 -12.967 6.615 -2.467 1.00 0.00 C ATOM 1261 CD LYS B 32 -12.769 8.078 -2.830 1.00 0.00 C ATOM 1262 CE LYS B 32 -11.373 8.558 -2.468 1.00 0.00 C ATOM 1263 NZ LYS B 32 -11.153 9.976 -2.866 1.00 0.00 N ATOM 0 H LYS B 32 -13.552 3.452 -3.194 1.00 0.00 H new ATOM 0 HA LYS B 32 -15.173 5.399 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -13.295 5.338 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -14.427 6.671 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -13.380 6.541 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -12.002 6.108 -2.453 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.936 8.215 -3.898 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -13.510 8.686 -2.311 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.221 8.455 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -10.633 7.925 -2.957 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.153 10.224 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -11.404 10.098 -3.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.748 10.597 -2.281 1.00 0.00 H new ATOM 1277 N LYS B 33 -16.308 3.842 -4.399 1.00 0.00 N ATOM 1278 CA LYS B 33 -17.472 3.656 -5.257 1.00 0.00 C ATOM 1279 C LYS B 33 -18.660 3.107 -4.474 1.00 0.00 C ATOM 1280 O LYS B 33 -19.798 3.525 -4.691 1.00 0.00 O ATOM 1281 CB LYS B 33 -17.133 2.716 -6.415 1.00 0.00 C ATOM 1282 CG LYS B 33 -16.830 3.441 -7.716 1.00 0.00 C ATOM 1283 CD LYS B 33 -18.073 3.579 -8.580 1.00 0.00 C ATOM 1284 CE LYS B 33 -17.766 3.311 -10.045 1.00 0.00 C ATOM 1285 NZ LYS B 33 -18.914 3.665 -10.927 1.00 0.00 N ATOM 0 H LYS B 33 -15.621 3.089 -4.449 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.750 4.632 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.272 2.108 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.968 2.033 -6.575 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -16.426 4.430 -7.497 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -16.062 2.898 -8.266 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -18.837 2.883 -8.234 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -18.484 4.583 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -16.889 3.885 -10.343 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -17.518 2.258 -10.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -18.665 3.468 -11.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -19.745 3.099 -10.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -19.135 4.676 -10.820 1.00 0.00 H new ATOM 1299 N LEU B 34 -18.399 2.177 -3.560 1.00 0.00 N ATOM 1300 CA LEU B 34 -19.464 1.594 -2.758 1.00 0.00 C ATOM 1301 C LEU B 34 -19.805 2.501 -1.582 1.00 0.00 C ATOM 1302 O LEU B 34 -20.920 2.470 -1.064 1.00 0.00 O ATOM 1303 CB LEU B 34 -19.063 0.206 -2.259 1.00 0.00 C ATOM 1304 CG LEU B 34 -18.710 -0.800 -3.356 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -17.702 -1.817 -2.844 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -19.964 -1.500 -3.856 1.00 0.00 C ATOM 0 H LEU B 34 -17.467 1.815 -3.359 1.00 0.00 H new ATOM 0 HA LEU B 34 -20.349 1.493 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -18.206 0.310 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -19.881 -0.200 -1.665 1.00 0.00 H new ATOM 0 HG LEU B 34 -18.260 -0.259 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -17.463 -2.524 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -16.793 -1.303 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -18.126 -2.354 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -19.696 -2.213 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -20.440 -2.028 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -20.656 -0.762 -4.261 1.00 0.00 H new ATOM 1318 N LYS B 35 -18.838 3.318 -1.173 1.00 0.00 N ATOM 1319 CA LYS B 35 -19.040 4.243 -0.066 1.00 0.00 C ATOM 1320 C LYS B 35 -19.708 5.523 -0.557 1.00 0.00 C ATOM 1321 O LYS B 35 -20.410 6.197 0.196 1.00 0.00 O ATOM 1322 CB LYS B 35 -17.706 4.572 0.605 1.00 0.00 C ATOM 1323 CG LYS B 35 -17.857 5.222 1.971 1.00 0.00 C ATOM 1324 CD LYS B 35 -17.175 6.579 2.021 1.00 0.00 C ATOM 1325 CE LYS B 35 -15.667 6.440 2.155 1.00 0.00 C ATOM 1326 NZ LYS B 35 -15.292 5.478 3.229 1.00 0.00 N ATOM 0 H LYS B 35 -17.909 3.357 -1.592 1.00 0.00 H new ATOM 0 HA LYS B 35 -19.692 3.766 0.666 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -17.126 3.655 0.710 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -17.136 5.237 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -18.915 5.337 2.205 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -17.430 4.571 2.734 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -17.411 7.139 1.116 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -17.565 7.153 2.862 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -15.247 6.107 1.206 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -15.230 7.415 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -14.334 5.695 3.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -15.967 5.557 4.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -15.313 4.510 2.850 1.00 0.00 H new ATOM 1340 N GLN B 36 -19.488 5.849 -1.828 1.00 0.00 N ATOM 1341 CA GLN B 36 -20.075 7.046 -2.420 1.00 0.00 C ATOM 1342 C GLN B 36 -21.516 6.783 -2.843 1.00 0.00 C ATOM 1343 O GLN B 36 -22.367 7.670 -2.768 1.00 0.00 O ATOM 1344 CB GLN B 36 -19.252 7.505 -3.624 1.00 0.00 C ATOM 1345 CG GLN B 36 -18.002 8.281 -3.246 1.00 0.00 C ATOM 1346 CD GLN B 36 -17.090 8.530 -4.432 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -15.872 8.367 -4.338 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -17.674 8.927 -5.555 1.00 0.00 N ATOM 0 H GLN B 36 -18.909 5.302 -2.466 1.00 0.00 H new ATOM 0 HA GLN B 36 -20.070 7.836 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -18.964 6.633 -4.211 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -19.877 8.128 -4.264 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -18.290 9.236 -2.807 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -17.455 7.731 -2.481 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -18.686 9.049 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -17.111 9.110 -6.386 1.00 0.00 H new ATOM 1357 N SER B 37 -21.781 5.559 -3.286 1.00 0.00 N ATOM 1358 CA SER B 37 -23.121 5.176 -3.719 1.00 0.00 C ATOM 1359 C SER B 37 -24.035 4.954 -2.519 1.00 0.00 C ATOM 1360 O SER B 37 -25.247 5.149 -2.606 1.00 0.00 O ATOM 1361 CB SER B 37 -23.060 3.909 -4.573 1.00 0.00 C ATOM 1362 OG SER B 37 -23.722 4.097 -5.813 1.00 0.00 O ATOM 0 H SER B 37 -21.087 4.815 -3.355 1.00 0.00 H new ATOM 0 HA SER B 37 -23.531 5.989 -4.319 1.00 0.00 H new ATOM 0 HB2 SER B 37 -22.020 3.636 -4.750 1.00 0.00 H new ATOM 0 HB3 SER B 37 -23.520 3.081 -4.034 1.00 0.00 H new ATOM 0 HG SER B 37 -23.667 3.273 -6.341 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.448 4.545 -1.399 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.213 4.297 -0.182 1.00 0.00 C ATOM 1370 C GLU B 38 -24.620 5.611 0.478 1.00 0.00 C ATOM 1371 O GLU B 38 -25.646 5.684 1.155 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.396 3.453 0.798 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.140 2.233 1.316 1.00 0.00 C ATOM 1374 CD GLU B 38 -24.478 2.338 2.790 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -25.300 3.208 3.149 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -23.921 1.552 3.586 1.00 0.00 O ATOM 0 H GLU B 38 -22.446 4.378 -1.309 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.116 3.750 -0.454 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.479 3.128 0.307 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -23.102 4.075 1.643 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -25.059 2.103 0.745 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.532 1.344 1.149 1.00 0.00 H new ATOM 1383 N ASP B 39 -23.810 6.644 0.275 1.00 0.00 N ATOM 1384 CA ASP B 39 -24.086 7.955 0.850 1.00 0.00 C ATOM 1385 C ASP B 39 -25.271 8.617 0.153 1.00 0.00 C ATOM 1386 O ASP B 39 -25.976 9.433 0.747 1.00 0.00 O ATOM 1387 CB ASP B 39 -22.852 8.853 0.742 1.00 0.00 C ATOM 1388 CG ASP B 39 -22.882 10.000 1.733 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -23.936 10.663 1.842 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -21.854 10.235 2.401 1.00 0.00 O ATOM 0 H ASP B 39 -22.957 6.599 -0.283 1.00 0.00 H new ATOM 0 HA ASP B 39 -24.336 7.816 1.902 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -21.956 8.256 0.909 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -22.784 9.253 -0.270 1.00 0.00 H new ATOM 1395 N ASP B 40 -25.485 8.258 -1.108 1.00 0.00 N ATOM 1396 CA ASP B 40 -26.586 8.815 -1.885 1.00 0.00 C ATOM 1397 C ASP B 40 -26.347 10.292 -2.184 1.00 0.00 C ATOM 1398 O ASP B 40 -25.344 10.866 -1.762 1.00 0.00 O ATOM 1399 CB ASP B 40 -27.906 8.643 -1.133 1.00 0.00 C ATOM 1400 CG ASP B 40 -28.783 7.566 -1.742 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -28.451 6.372 -1.586 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -29.800 7.917 -2.377 1.00 0.00 O ATOM 0 H ASP B 40 -24.911 7.584 -1.614 1.00 0.00 H new ATOM 0 HA ASP B 40 -26.641 8.275 -2.830 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -27.698 8.393 -0.093 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -28.446 9.590 -1.132 1.00 0.00 H new ATOM 1407 N ASP B 41 -27.275 10.900 -2.916 1.00 0.00 N ATOM 1408 CA ASP B 41 -27.166 12.310 -3.272 1.00 0.00 C ATOM 1409 C ASP B 41 -28.540 12.909 -3.552 1.00 0.00 C ATOM 1410 O ASP B 41 -29.190 13.372 -2.592 1.00 0.00 O ATOM 1411 CB ASP B 41 -26.263 12.480 -4.494 1.00 0.00 C ATOM 1412 CG ASP B 41 -24.999 11.646 -4.401 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -24.125 11.984 -3.575 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -24.886 10.656 -5.153 1.00 0.00 O ATOM 1415 OXT ASP B 41 -28.954 12.909 -4.730 1.00 0.00 O ATOM 0 H ASP B 41 -28.111 10.438 -3.274 1.00 0.00 H new ATOM 0 HA ASP B 41 -26.725 12.839 -2.427 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -26.814 12.200 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -25.994 13.531 -4.600 1.00 0.00 H new TER 1420 ASP B 41