USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1346 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 CYS SG : rot -79:sc= -6.21! USER MOD Set 1.2: A 120 GLN :FLIP amide:sc= -4.08! C(o=-11!,f=-10!) USER MOD Set 2.1: A 106 GLN : amide:sc= -2.53! C(o=-3.5!,f=-9.7!) USER MOD Set 2.2: A 108 TYR OH : rot -170:sc= -0.987! USER MOD Set 3.1: A 49 TYR OH : rot 150:sc= -0.249 USER MOD Set 3.2: A 58 MET CE :methyl -170:sc= -0.577 (180deg=-1.07) USER MOD Single : A 6 LYS NZ :NH3+ -138:sc= -4.01! (180deg=-6.8!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -130:sc= -2.18 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.129 F(o=-0.77,f=-0.13) USER MOD Single : A 16 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.19) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -101:sc= 0.876 USER MOD Single : A 24 CYS SG : rot 21:sc= 0.0691 USER MOD Single : A 26 CYS SG : rot 51:sc= -0.669 USER MOD Single : A 31 SER OG : rot 180:sc= -0.578 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00588 USER MOD Single : A 36 CYS SG : rot 154:sc= -2.79 USER MOD Single : A 37 ASN : amide:sc= -13! C(o=-13!,f=-14!) USER MOD Single : A 38 SER OG : rot 47:sc= 0.982 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.38) USER MOD Single : A 55 SER OG : rot -89:sc= 0.345 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.54 F(o=-2.2!,f=-1.5) USER MOD Single : A 59 TYR OH : rot 16:sc= -1.65 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0362 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -3.15! C(o=-3.2!,f=-4.4!) USER MOD Single : A 81 SER OG : rot -150:sc= 0.948 USER MOD Single : A 82 CYS SG : rot -18:sc= -0.565 USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.0911 F(o=-0.65,f=-0.091) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc=-0.00383 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 94 LYS NZ :NH3+ -108:sc= -3.09! (180deg=-5.96!) USER MOD Single : A 96 GLN : amide:sc= -5.56! C(o=-5.6!,f=-14!) USER MOD Single : A 100 LYS NZ :NH3+ -154:sc= -0.173 (180deg=-0.934) USER MOD Single : A 104 ASN : amide:sc= -1.17 K(o=-1.2,f=-7.4!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.22) USER MOD Single : A 127 HIS : no HE2:sc= -0.383 K(o=-0.38,f=-3.5!) USER MOD Single : A 128 SER OG : rot 120:sc= 0.0817 USER MOD Single : A 129 CYS SG : rot 23:sc= 0.219 USER MOD Single : A 130 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0874) USER MOD Single : A 135 THR OG1 : rot -13:sc= -0.182 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.0572 USER MOD Single : A 143 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.65) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.041 USER MOD Single : A 148 GLN : amide:sc= -0.83 K(o=-0.83,f=-2.9!) USER MOD Single : A 149 TYR OH : rot 150:sc= -0.392 USER MOD Single : A 153 LYS NZ :NH3+ 167:sc= -0.0044 (180deg=-0.147) USER MOD Single : A 154 LYS NZ :NH3+ -159:sc= -0.0958 (180deg=-0.668) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ -162:sc= -0.0353 (180deg=-0.376) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.3) USER MOD Single : A 171 SER OG : rot -127:sc= -0.622 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 -9.583 -9.080 -12.150 1.00 0.01 N ATOM 58 CA GLY A 5 -9.543 -8.654 -10.723 1.00 0.01 C ATOM 59 C GLY A 5 -10.828 -7.902 -10.376 1.00 0.01 C ATOM 60 O GLY A 5 -11.525 -7.417 -11.243 1.00 0.01 O ATOM 0 HA2 GLY A 5 -9.433 -9.524 -10.076 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.677 -8.015 -10.548 1.00 0.01 H new ATOM 64 N LYS A 6 -11.147 -7.799 -9.112 1.00 0.00 N ATOM 65 CA LYS A 6 -12.388 -7.072 -8.701 1.00 0.01 C ATOM 66 C LYS A 6 -12.175 -6.368 -7.359 1.00 0.01 C ATOM 67 O LYS A 6 -11.636 -6.925 -6.422 1.00 0.00 O ATOM 68 CB LYS A 6 -13.557 -8.053 -8.579 1.00 0.02 C ATOM 69 CG LYS A 6 -14.825 -7.295 -8.174 1.00 0.02 C ATOM 70 CD LYS A 6 -16.056 -8.162 -8.452 1.00 0.02 C ATOM 71 CE LYS A 6 -15.898 -9.521 -7.764 1.00 0.02 C ATOM 72 NZ LYS A 6 -14.982 -10.379 -8.567 1.00 0.02 N ATOM 0 H LYS A 6 -10.601 -8.188 -8.343 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.617 -6.327 -9.463 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.715 -8.565 -9.528 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.327 -8.818 -7.838 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.783 -7.035 -7.116 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.894 -6.360 -8.729 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -16.954 -7.662 -8.089 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -16.180 -8.300 -9.526 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.500 -9.388 -6.758 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -16.870 -10.004 -7.661 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -15.359 -11.347 -8.607 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -14.905 -9.997 -9.531 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -14.041 -10.392 -8.124 1.00 0.02 H new ATOM 86 N ILE A 7 -12.620 -5.138 -7.273 1.00 0.02 N ATOM 87 CA ILE A 7 -12.491 -4.349 -6.006 1.00 0.00 C ATOM 88 C ILE A 7 -13.864 -3.755 -5.668 1.00 0.02 C ATOM 89 O ILE A 7 -14.581 -3.301 -6.539 1.00 0.01 O ATOM 90 CB ILE A 7 -11.434 -3.255 -6.185 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.469 -2.297 -4.990 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.706 -2.471 -7.466 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.221 -1.404 -5.011 1.00 0.02 C ATOM 0 H ILE A 7 -13.074 -4.639 -8.038 1.00 0.02 H new ATOM 0 HA ILE A 7 -12.168 -4.987 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.452 -3.723 -6.248 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.369 -1.683 -5.029 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.509 -2.862 -4.059 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.950 -1.695 -7.585 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.671 -3.147 -8.321 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.692 -2.010 -7.408 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.247 -0.723 -4.161 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.328 -2.026 -4.951 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.201 -0.828 -5.936 1.00 0.02 H new ATOM 105 N SER A 8 -14.234 -3.752 -4.409 1.00 0.02 N ATOM 106 CA SER A 8 -15.565 -3.184 -3.997 1.00 0.02 C ATOM 107 C SER A 8 -15.362 -2.039 -3.003 1.00 0.01 C ATOM 108 O SER A 8 -14.675 -2.175 -2.012 1.00 0.02 O ATOM 109 CB SER A 8 -16.420 -4.272 -3.342 1.00 0.30 C ATOM 110 OG SER A 8 -16.300 -5.475 -4.089 1.00 0.39 O ATOM 0 H SER A 8 -13.670 -4.120 -3.643 1.00 0.02 H new ATOM 0 HA SER A 8 -16.072 -2.808 -4.886 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.097 -4.435 -2.314 1.00 0.30 H new ATOM 0 HB3 SER A 8 -17.463 -3.957 -3.303 1.00 0.30 H new ATOM 0 HG SER A 8 -16.845 -6.175 -3.672 1.00 0.39 H new ATOM 116 N PHE A 9 -15.982 -0.913 -3.264 1.00 0.02 N ATOM 117 CA PHE A 9 -15.872 0.266 -2.349 1.00 0.01 C ATOM 118 C PHE A 9 -17.220 0.476 -1.647 1.00 0.01 C ATOM 119 O PHE A 9 -18.260 0.338 -2.260 1.00 0.02 O ATOM 120 CB PHE A 9 -15.544 1.518 -3.168 1.00 0.02 C ATOM 121 CG PHE A 9 -14.411 1.248 -4.130 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.666 0.611 -5.349 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.110 1.652 -3.810 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.621 0.375 -6.249 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.064 1.421 -4.711 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.320 0.781 -5.931 1.00 0.02 C ATOM 0 H PHE A 9 -16.568 -0.760 -4.085 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.086 0.089 -1.615 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.427 1.839 -3.720 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.272 2.335 -2.499 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.671 0.301 -5.596 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.913 2.142 -2.868 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -13.818 -0.120 -7.188 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.060 1.736 -4.466 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.513 0.601 -6.626 1.00 0.02 H new ATOM 136 N TYR A 10 -17.217 0.799 -0.372 1.00 0.02 N ATOM 137 CA TYR A 10 -18.510 1.011 0.370 1.00 0.01 C ATOM 138 C TYR A 10 -18.540 2.423 0.964 1.00 0.02 C ATOM 139 O TYR A 10 -17.546 2.916 1.459 1.00 0.01 O ATOM 140 CB TYR A 10 -18.615 -0.011 1.508 1.00 0.02 C ATOM 141 CG TYR A 10 -18.228 -1.384 1.004 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.884 -1.681 0.744 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.212 -2.362 0.805 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.526 -2.955 0.284 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.852 -3.635 0.344 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.509 -3.931 0.085 1.00 0.00 C ATOM 147 OH TYR A 10 -17.156 -5.186 -0.367 1.00 0.02 O ATOM 0 H TYR A 10 -16.375 0.926 0.189 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.345 0.887 -0.320 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -17.963 0.281 2.332 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.633 -0.031 1.898 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.125 -0.929 0.898 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.248 -2.134 1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.490 -3.184 0.083 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.611 -4.388 0.189 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.724 -5.432 -1.127 1.00 0.02 H new ATOM 157 N GLU A 11 -19.664 3.091 0.889 1.00 0.00 N ATOM 158 CA GLU A 11 -19.740 4.484 1.416 1.00 0.02 C ATOM 159 C GLU A 11 -19.644 4.514 2.945 1.00 0.03 C ATOM 160 O GLU A 11 -19.201 5.497 3.507 1.00 0.03 O ATOM 161 CB GLU A 11 -21.072 5.115 0.991 1.00 0.00 C ATOM 162 CG GLU A 11 -21.008 5.503 -0.486 1.00 0.00 C ATOM 163 CD GLU A 11 -22.323 6.166 -0.899 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.248 6.144 -0.104 1.00 0.01 O ATOM 165 OE2 GLU A 11 -22.381 6.682 -2.002 1.00 0.02 O ATOM 0 H GLU A 11 -20.529 2.731 0.486 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.899 5.044 1.007 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.888 4.412 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.280 5.995 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.175 6.185 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.827 4.619 -1.097 1.00 0.00 H new ATOM 172 N ASP A 12 -20.051 3.468 3.633 1.00 0.02 N ATOM 173 CA ASP A 12 -19.972 3.475 5.131 1.00 0.01 C ATOM 174 C ASP A 12 -18.971 2.424 5.613 1.00 0.02 C ATOM 175 O ASP A 12 -18.496 1.596 4.860 1.00 0.02 O ATOM 176 CB ASP A 12 -21.347 3.151 5.721 1.00 0.01 C ATOM 177 CG ASP A 12 -21.348 3.467 7.218 1.00 0.01 C ATOM 178 OD1 ASP A 12 -21.130 4.618 7.562 1.00 0.02 O ATOM 179 OD2 ASP A 12 -21.568 2.552 7.996 1.00 0.03 O ATOM 0 H ASP A 12 -20.432 2.615 3.223 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.648 4.463 5.457 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -22.118 3.733 5.215 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.585 2.099 5.560 1.00 0.01 H new ATOM 184 N ARG A 13 -18.651 2.470 6.875 1.00 0.02 N ATOM 185 CA ARG A 13 -17.678 1.503 7.461 1.00 0.02 C ATOM 186 C ARG A 13 -18.340 0.134 7.641 1.00 0.00 C ATOM 187 O ARG A 13 -19.546 0.014 7.715 1.00 0.02 O ATOM 188 CB ARG A 13 -17.234 2.034 8.826 1.00 0.00 C ATOM 189 CG ARG A 13 -16.324 3.248 8.629 1.00 0.01 C ATOM 190 CD ARG A 13 -16.001 3.874 9.989 1.00 0.02 C ATOM 191 NE ARG A 13 -15.420 5.232 9.786 1.00 0.03 N ATOM 192 CZ ARG A 13 -15.351 6.069 10.785 1.00 0.02 C ATOM 193 NH1 ARG A 13 -15.780 5.714 11.965 1.00 0.02 N ATOM 194 NH2 ARG A 13 -14.853 7.262 10.605 1.00 0.02 N ATOM 0 H ARG A 13 -19.028 3.148 7.538 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.821 1.394 6.796 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -18.104 2.311 9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.706 1.256 9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.404 2.948 8.128 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.812 3.981 7.987 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -16.905 3.940 10.595 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.298 3.244 10.534 1.00 0.02 H new ATOM 0 HE ARG A 13 -15.076 5.507 8.866 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -16.169 4.782 12.107 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -15.726 6.368 12.745 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -14.517 7.541 9.683 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -14.799 7.916 11.386 1.00 0.02 H new ATOM 208 N ASN A 14 -17.538 -0.895 7.725 1.00 0.02 N ATOM 209 CA ASN A 14 -18.067 -2.277 7.920 1.00 0.02 C ATOM 210 C ASN A 14 -18.870 -2.740 6.698 1.00 0.02 C ATOM 211 O ASN A 14 -19.811 -3.502 6.798 1.00 0.02 O ATOM 212 CB ASN A 14 -18.937 -2.309 9.184 1.00 0.26 C ATOM 213 CG ASN A 14 -19.053 -3.748 9.699 1.00 0.12 C ATOM 214 OD1 ASN A 14 -17.984 -4.494 9.757 1.00 0.74 O flip ATOM 215 ND2 ASN A 14 -20.125 -4.196 10.055 1.00 0.46 N flip ATOM 0 H ASN A 14 -16.522 -0.834 7.666 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.229 -2.964 8.038 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -18.500 -1.672 9.953 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -19.928 -1.911 8.965 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -20.961 -3.614 10.010 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -20.188 -5.154 10.399 1.00 0.46 H new ATOM 222 N PHE A 15 -18.457 -2.299 5.539 1.00 0.02 N ATOM 223 CA PHE A 15 -19.125 -2.714 4.268 1.00 0.02 C ATOM 224 C PHE A 15 -20.627 -2.409 4.307 1.00 0.00 C ATOM 225 O PHE A 15 -21.439 -3.192 3.857 1.00 0.02 O ATOM 226 CB PHE A 15 -18.910 -4.227 4.054 1.00 0.02 C ATOM 227 CG PHE A 15 -17.602 -4.649 4.683 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.396 -4.419 4.014 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.599 -5.271 5.938 1.00 0.02 C ATOM 230 CE1 PHE A 15 -15.185 -4.812 4.600 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.390 -5.662 6.524 1.00 0.02 C ATOM 232 CZ PHE A 15 -15.183 -5.433 5.855 1.00 0.02 C ATOM 0 H PHE A 15 -17.673 -1.659 5.417 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.686 -2.151 3.445 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.734 -4.787 4.495 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -18.903 -4.456 2.988 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.398 -3.939 3.047 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.531 -5.449 6.454 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.253 -4.636 4.083 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.389 -6.140 7.492 1.00 0.02 H new ATOM 0 HZ PHE A 15 -14.250 -5.735 6.306 1.00 0.02 H new ATOM 242 N GLN A 16 -20.990 -1.266 4.824 1.00 0.02 N ATOM 243 CA GLN A 16 -22.430 -0.867 4.885 1.00 0.02 C ATOM 244 C GLN A 16 -22.637 0.336 3.961 1.00 0.02 C ATOM 245 O GLN A 16 -21.688 0.962 3.525 1.00 0.02 O ATOM 246 CB GLN A 16 -22.784 -0.468 6.323 1.00 0.02 C ATOM 247 CG GLN A 16 -22.989 -1.726 7.170 1.00 0.00 C ATOM 248 CD GLN A 16 -24.311 -2.391 6.784 1.00 0.00 C ATOM 249 OE1 GLN A 16 -24.328 -3.514 6.324 1.00 0.02 O ATOM 250 NE2 GLN A 16 -25.427 -1.738 6.952 1.00 0.02 N ATOM 0 H GLN A 16 -20.342 -0.581 5.213 1.00 0.02 H new ATOM 0 HA GLN A 16 -23.065 -1.696 4.573 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -21.988 0.143 6.748 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.689 0.139 6.330 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -22.162 -2.420 7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.995 -1.467 8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -25.412 -0.794 7.339 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -26.315 -2.171 6.697 1.00 0.02 H new ATOM 259 N GLY A 17 -23.861 0.671 3.653 1.00 0.03 N ATOM 260 CA GLY A 17 -24.111 1.844 2.762 1.00 0.03 C ATOM 261 C GLY A 17 -24.097 1.420 1.288 1.00 0.02 C ATOM 262 O GLY A 17 -24.121 0.249 0.963 1.00 0.02 O ATOM 0 H GLY A 17 -24.697 0.186 3.978 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.073 2.294 3.007 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.350 2.606 2.933 1.00 0.03 H new ATOM 266 N ARG A 18 -24.047 2.375 0.398 1.00 0.00 N ATOM 267 CA ARG A 18 -24.018 2.059 -1.059 1.00 0.02 C ATOM 268 C ARG A 18 -22.678 1.410 -1.409 1.00 0.02 C ATOM 269 O ARG A 18 -21.645 1.771 -0.879 1.00 0.02 O ATOM 270 CB ARG A 18 -24.183 3.355 -1.856 1.00 0.79 C ATOM 271 CG ARG A 18 -24.518 3.021 -3.310 1.00 1.49 C ATOM 272 CD ARG A 18 -24.766 4.315 -4.086 1.00 1.42 C ATOM 273 NE ARG A 18 -25.222 3.984 -5.466 1.00 2.07 N ATOM 274 CZ ARG A 18 -25.780 4.903 -6.206 1.00 2.35 C ATOM 275 NH1 ARG A 18 -25.936 6.110 -5.739 1.00 2.53 N ATOM 276 NH2 ARG A 18 -26.181 4.612 -7.414 1.00 2.76 N ATOM 0 H ARG A 18 -24.025 3.370 0.621 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.828 1.373 -1.305 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -24.975 3.964 -1.420 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.266 3.943 -1.809 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.699 2.463 -3.764 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.401 2.383 -3.354 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -25.518 4.919 -3.578 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -23.853 4.909 -4.125 1.00 1.42 H new ATOM 0 HE ARG A 18 -25.098 3.040 -5.832 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -25.622 6.336 -4.795 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -26.372 6.828 -6.317 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -26.058 3.667 -7.778 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -26.617 5.329 -7.993 1.00 2.76 H new ATOM 290 N ARG A 19 -22.695 0.437 -2.290 1.00 0.02 N ATOM 291 CA ARG A 19 -21.434 -0.273 -2.679 1.00 0.02 C ATOM 292 C ARG A 19 -21.188 -0.125 -4.183 1.00 0.02 C ATOM 293 O ARG A 19 -22.107 -0.043 -4.974 1.00 0.02 O ATOM 294 CB ARG A 19 -21.591 -1.762 -2.352 1.00 0.85 C ATOM 295 CG ARG A 19 -20.249 -2.479 -2.529 1.00 1.31 C ATOM 296 CD ARG A 19 -20.454 -3.993 -2.404 1.00 1.34 C ATOM 297 NE ARG A 19 -21.034 -4.522 -3.670 1.00 1.50 N ATOM 298 CZ ARG A 19 -21.019 -5.805 -3.910 1.00 1.63 C ATOM 299 NH1 ARG A 19 -20.497 -6.626 -3.040 1.00 1.72 N ATOM 300 NH2 ARG A 19 -21.529 -6.267 -5.020 1.00 1.89 N ATOM 0 H ARG A 19 -23.536 0.102 -2.760 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.594 0.157 -2.133 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -21.946 -1.883 -1.328 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.341 -2.209 -3.004 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.823 -2.239 -3.503 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.539 -2.135 -1.777 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -19.503 -4.483 -2.194 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -21.118 -4.213 -1.568 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.443 -3.881 -4.350 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -20.101 -6.265 -2.172 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -20.485 -7.628 -3.228 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -21.939 -5.625 -5.699 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -21.518 -7.269 -5.208 1.00 1.89 H new ATOM 314 N TYR A 20 -19.939 -0.108 -4.575 1.00 0.02 N ATOM 315 CA TYR A 20 -19.583 0.012 -6.024 1.00 0.02 C ATOM 316 C TYR A 20 -18.525 -1.046 -6.349 1.00 0.02 C ATOM 317 O TYR A 20 -17.518 -1.147 -5.681 1.00 0.02 O ATOM 318 CB TYR A 20 -19.020 1.407 -6.306 1.00 0.02 C ATOM 319 CG TYR A 20 -18.522 1.473 -7.735 1.00 0.01 C ATOM 320 CD1 TYR A 20 -19.422 1.307 -8.796 1.00 0.02 C ATOM 321 CD2 TYR A 20 -17.165 1.701 -8.000 1.00 0.01 C ATOM 322 CE1 TYR A 20 -18.966 1.368 -10.118 1.00 0.02 C ATOM 323 CE2 TYR A 20 -16.711 1.761 -9.323 1.00 0.02 C ATOM 324 CZ TYR A 20 -17.610 1.594 -10.383 1.00 0.02 C ATOM 325 OH TYR A 20 -17.160 1.654 -11.686 1.00 0.01 O ATOM 0 H TYR A 20 -19.140 -0.173 -3.945 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.469 -0.139 -6.641 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.790 2.161 -6.143 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.206 1.628 -5.616 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -20.468 1.132 -8.594 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -16.470 1.830 -7.184 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -19.661 1.241 -10.935 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -15.665 1.937 -9.526 1.00 0.02 H new ATOM 0 HH TYR A 20 -16.194 1.818 -11.691 1.00 0.01 H new ATOM 335 N ASP A 21 -18.755 -1.844 -7.363 1.00 0.01 N ATOM 336 CA ASP A 21 -17.780 -2.919 -7.741 1.00 0.02 C ATOM 337 C ASP A 21 -17.152 -2.593 -9.096 1.00 0.00 C ATOM 338 O ASP A 21 -17.823 -2.174 -10.018 1.00 0.01 O ATOM 339 CB ASP A 21 -18.527 -4.249 -7.839 1.00 0.12 C ATOM 340 CG ASP A 21 -19.661 -4.125 -8.858 1.00 0.41 C ATOM 341 OD1 ASP A 21 -20.197 -3.036 -8.990 1.00 1.12 O ATOM 342 OD2 ASP A 21 -19.974 -5.120 -9.490 1.00 0.56 O ATOM 0 H ASP A 21 -19.586 -1.797 -7.953 1.00 0.01 H new ATOM 0 HA ASP A 21 -16.995 -2.984 -6.988 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -17.841 -5.042 -8.137 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -18.929 -4.525 -6.864 1.00 0.12 H new ATOM 347 N CYS A 22 -15.858 -2.779 -9.214 1.00 0.01 N ATOM 348 CA CYS A 22 -15.153 -2.479 -10.503 1.00 0.00 C ATOM 349 C CYS A 22 -14.267 -3.664 -10.892 1.00 0.02 C ATOM 350 O CYS A 22 -13.614 -4.267 -10.061 1.00 0.01 O ATOM 351 CB CYS A 22 -14.301 -1.219 -10.326 1.00 0.00 C ATOM 352 SG CYS A 22 -13.781 -0.610 -11.948 1.00 0.02 S ATOM 0 H CYS A 22 -15.256 -3.128 -8.468 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.884 -2.312 -11.295 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.872 -0.451 -9.803 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.428 -1.441 -9.712 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.549 -0.961 -12.169 1.00 0.02 H new ATOM 358 N ASP A 23 -14.249 -4.006 -12.160 1.00 0.01 N ATOM 359 CA ASP A 23 -13.423 -5.161 -12.642 1.00 0.02 C ATOM 360 C ASP A 23 -12.345 -4.661 -13.608 1.00 0.00 C ATOM 361 O ASP A 23 -11.679 -5.439 -14.263 1.00 0.02 O ATOM 362 CB ASP A 23 -14.327 -6.161 -13.364 1.00 0.16 C ATOM 363 CG ASP A 23 -15.074 -5.452 -14.495 1.00 0.17 C ATOM 364 OD1 ASP A 23 -14.414 -4.934 -15.381 1.00 0.20 O ATOM 365 OD2 ASP A 23 -16.294 -5.437 -14.456 1.00 0.17 O ATOM 0 H ASP A 23 -14.778 -3.528 -12.890 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.945 -5.644 -11.790 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -13.732 -6.981 -13.766 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -15.038 -6.597 -12.662 1.00 0.16 H new ATOM 370 N CYS A 24 -12.156 -3.374 -13.690 1.00 0.01 N ATOM 371 CA CYS A 24 -11.110 -2.825 -14.601 1.00 0.01 C ATOM 372 C CYS A 24 -10.739 -1.423 -14.117 1.00 0.01 C ATOM 373 O CYS A 24 -11.340 -0.905 -13.197 1.00 0.01 O ATOM 374 CB CYS A 24 -11.653 -2.753 -16.031 1.00 0.62 C ATOM 375 SG CYS A 24 -11.645 -4.408 -16.764 1.00 1.23 S ATOM 0 H CYS A 24 -12.682 -2.676 -13.164 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.231 -3.469 -14.594 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -12.666 -2.350 -16.027 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -11.043 -2.076 -16.629 1.00 0.62 H new ATOM 0 HG CYS A 24 -11.613 -5.301 -15.820 1.00 1.23 H new ATOM 381 N ASP A 25 -9.760 -0.796 -14.711 1.00 0.02 N ATOM 382 CA ASP A 25 -9.375 0.569 -14.256 1.00 0.01 C ATOM 383 C ASP A 25 -10.557 1.526 -14.421 1.00 0.02 C ATOM 384 O ASP A 25 -11.311 1.434 -15.370 1.00 0.00 O ATOM 385 CB ASP A 25 -8.208 1.072 -15.108 1.00 0.01 C ATOM 386 CG ASP A 25 -8.578 0.980 -16.591 1.00 0.01 C ATOM 387 OD1 ASP A 25 -8.905 -0.110 -17.034 1.00 0.01 O ATOM 388 OD2 ASP A 25 -8.529 2.001 -17.255 1.00 0.01 O ATOM 0 H ASP A 25 -9.213 -1.168 -15.487 1.00 0.02 H new ATOM 0 HA ASP A 25 -9.085 0.528 -13.206 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -7.971 2.103 -14.845 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.316 0.478 -14.908 1.00 0.01 H new ATOM 393 N CYS A 26 -10.710 2.457 -13.514 1.00 0.01 N ATOM 394 CA CYS A 26 -11.827 3.450 -13.612 1.00 0.01 C ATOM 395 C CYS A 26 -11.253 4.852 -13.402 1.00 0.01 C ATOM 396 O CYS A 26 -10.699 5.159 -12.365 1.00 0.01 O ATOM 397 CB CYS A 26 -12.886 3.152 -12.546 1.00 0.01 C ATOM 398 SG CYS A 26 -12.088 2.992 -10.930 1.00 0.02 S ATOM 0 H CYS A 26 -10.104 2.574 -12.702 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.296 3.385 -14.594 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.626 3.952 -12.520 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -13.418 2.233 -12.793 1.00 0.01 H new ATOM 0 HG CYS A 26 -11.323 4.022 -10.720 1.00 0.02 H new ATOM 404 N ALA A 27 -11.345 5.698 -14.395 1.00 0.01 N ATOM 405 CA ALA A 27 -10.766 7.063 -14.264 1.00 0.01 C ATOM 406 C ALA A 27 -11.679 7.962 -13.432 1.00 0.01 C ATOM 407 O ALA A 27 -11.238 8.919 -12.829 1.00 0.02 O ATOM 408 CB ALA A 27 -10.583 7.673 -15.656 1.00 0.24 C ATOM 0 H ALA A 27 -11.796 5.501 -15.289 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.802 6.985 -13.761 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -10.159 8.673 -15.562 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.910 7.047 -16.242 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.549 7.734 -16.156 1.00 0.24 H new ATOM 414 N ASP A 28 -12.951 7.672 -13.394 1.00 0.01 N ATOM 415 CA ASP A 28 -13.892 8.517 -12.602 1.00 0.02 C ATOM 416 C ASP A 28 -15.100 7.669 -12.196 1.00 0.01 C ATOM 417 O ASP A 28 -16.001 7.435 -12.979 1.00 0.02 O ATOM 418 CB ASP A 28 -14.358 9.702 -13.452 1.00 0.67 C ATOM 419 CG ASP A 28 -15.116 10.696 -12.571 1.00 0.90 C ATOM 420 OD1 ASP A 28 -16.297 10.484 -12.355 1.00 0.87 O ATOM 421 OD2 ASP A 28 -14.503 11.653 -12.128 1.00 1.14 O ATOM 0 H ASP A 28 -13.381 6.884 -13.878 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.389 8.893 -11.711 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -13.501 10.191 -13.915 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -15.001 9.353 -14.260 1.00 0.67 H new ATOM 426 N PHE A 29 -15.121 7.214 -10.970 1.00 0.02 N ATOM 427 CA PHE A 29 -16.260 6.377 -10.469 1.00 0.02 C ATOM 428 C PHE A 29 -17.149 7.213 -9.538 1.00 0.00 C ATOM 429 O PHE A 29 -18.019 6.710 -8.850 1.00 0.02 O ATOM 430 CB PHE A 29 -15.709 5.145 -9.739 1.00 2.87 C ATOM 431 CG PHE A 29 -15.144 5.540 -8.397 1.00 3.99 C ATOM 432 CD1 PHE A 29 -13.924 6.222 -8.324 1.00 4.68 C ATOM 433 CD2 PHE A 29 -15.840 5.223 -7.224 1.00 4.52 C ATOM 434 CE1 PHE A 29 -13.399 6.585 -7.079 1.00 5.85 C ATOM 435 CE2 PHE A 29 -15.316 5.586 -5.982 1.00 5.75 C ATOM 436 CZ PHE A 29 -14.098 6.266 -5.910 1.00 6.37 C ATOM 0 H PHE A 29 -14.388 7.388 -10.282 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.866 6.040 -11.310 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -16.502 4.409 -9.605 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -14.934 4.673 -10.343 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -13.388 6.468 -9.229 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -16.782 4.698 -7.280 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -12.457 7.110 -7.021 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -15.852 5.341 -5.077 1.00 5.75 H new ATOM 0 HZ PHE A 29 -13.694 6.547 -4.948 1.00 6.37 H new ATOM 446 N ARG A 30 -16.900 8.494 -9.494 1.00 0.01 N ATOM 447 CA ARG A 30 -17.682 9.395 -8.604 1.00 0.00 C ATOM 448 C ARG A 30 -19.175 9.329 -8.937 1.00 0.01 C ATOM 449 O ARG A 30 -20.011 9.636 -8.111 1.00 0.02 O ATOM 450 CB ARG A 30 -17.194 10.834 -8.781 1.00 0.32 C ATOM 451 CG ARG A 30 -15.730 10.935 -8.343 1.00 0.86 C ATOM 452 CD ARG A 30 -15.295 12.402 -8.356 1.00 1.62 C ATOM 453 NE ARG A 30 -16.093 13.166 -7.355 1.00 2.25 N ATOM 454 CZ ARG A 30 -15.699 14.351 -6.976 1.00 2.70 C ATOM 455 NH1 ARG A 30 -14.608 14.866 -7.474 1.00 3.11 N ATOM 456 NH2 ARG A 30 -16.397 15.019 -6.100 1.00 3.02 N ATOM 0 H ARG A 30 -16.178 8.959 -10.045 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.537 9.072 -7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.295 11.138 -9.823 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.809 11.513 -8.190 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.608 10.517 -7.344 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.098 10.351 -9.012 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -14.232 12.479 -8.125 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -15.437 12.826 -9.350 1.00 1.62 H new ATOM 0 HE ARG A 30 -16.946 12.763 -6.967 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -14.063 14.342 -8.159 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -14.300 15.792 -7.178 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -17.250 14.615 -5.712 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -16.090 15.945 -5.803 1.00 3.02 H new ATOM 470 N SER A 31 -19.529 8.952 -10.138 1.00 0.02 N ATOM 471 CA SER A 31 -20.973 8.897 -10.502 1.00 0.02 C ATOM 472 C SER A 31 -21.639 7.683 -9.852 1.00 0.01 C ATOM 473 O SER A 31 -22.849 7.592 -9.782 1.00 0.02 O ATOM 474 CB SER A 31 -21.107 8.790 -12.022 1.00 0.37 C ATOM 475 OG SER A 31 -20.759 7.475 -12.434 1.00 0.88 O ATOM 0 H SER A 31 -18.882 8.681 -10.879 1.00 0.02 H new ATOM 0 HA SER A 31 -21.462 9.804 -10.146 1.00 0.02 H new ATOM 0 HB2 SER A 31 -22.128 9.020 -12.325 1.00 0.37 H new ATOM 0 HB3 SER A 31 -20.458 9.519 -12.508 1.00 0.37 H new ATOM 0 HG SER A 31 -20.846 7.404 -13.408 1.00 0.88 H new ATOM 481 N TYR A 32 -20.856 6.742 -9.392 1.00 0.01 N ATOM 482 CA TYR A 32 -21.429 5.511 -8.761 1.00 0.01 C ATOM 483 C TYR A 32 -21.267 5.589 -7.244 1.00 0.02 C ATOM 484 O TYR A 32 -21.968 4.928 -6.503 1.00 0.02 O ATOM 485 CB TYR A 32 -20.671 4.290 -9.285 1.00 0.02 C ATOM 486 CG TYR A 32 -21.003 4.084 -10.743 1.00 0.02 C ATOM 487 CD1 TYR A 32 -22.102 3.297 -11.106 1.00 0.01 C ATOM 488 CD2 TYR A 32 -20.210 4.677 -11.733 1.00 0.01 C ATOM 489 CE1 TYR A 32 -22.411 3.105 -12.459 1.00 0.00 C ATOM 490 CE2 TYR A 32 -20.517 4.486 -13.085 1.00 0.02 C ATOM 491 CZ TYR A 32 -21.618 3.699 -13.448 1.00 0.02 C ATOM 492 OH TYR A 32 -21.922 3.510 -14.780 1.00 0.02 O ATOM 0 H TYR A 32 -19.837 6.772 -9.426 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.488 5.430 -9.007 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.598 4.434 -9.161 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -20.942 3.405 -8.710 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -22.712 2.837 -10.343 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -19.361 5.282 -11.453 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -23.260 2.499 -12.739 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -19.906 4.945 -13.848 1.00 0.02 H new ATOM 0 HH TYR A 32 -21.274 3.991 -15.335 1.00 0.02 H new ATOM 502 N LEU A 33 -20.339 6.378 -6.771 1.00 0.02 N ATOM 503 CA LEU A 33 -20.123 6.481 -5.296 1.00 0.02 C ATOM 504 C LEU A 33 -19.588 7.885 -4.957 1.00 0.02 C ATOM 505 O LEU A 33 -18.655 8.378 -5.561 1.00 0.02 O ATOM 506 CB LEU A 33 -19.087 5.410 -4.882 1.00 1.66 C ATOM 507 CG LEU A 33 -19.463 4.778 -3.524 1.00 2.38 C ATOM 508 CD1 LEU A 33 -20.813 4.026 -3.628 1.00 3.32 C ATOM 509 CD2 LEU A 33 -18.358 3.796 -3.100 1.00 2.80 C ATOM 0 H LEU A 33 -19.721 6.956 -7.341 1.00 0.02 H new ATOM 0 HA LEU A 33 -21.059 6.320 -4.761 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -19.034 4.635 -5.646 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.097 5.862 -4.816 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.563 5.569 -2.781 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -21.061 3.588 -2.661 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -21.597 4.724 -3.921 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -20.733 3.236 -4.375 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -18.618 3.347 -2.142 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -18.258 3.014 -3.852 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -17.413 4.331 -3.005 1.00 2.80 H new ATOM 521 N SER A 34 -20.212 8.535 -4.007 1.00 0.02 N ATOM 522 CA SER A 34 -19.794 9.919 -3.625 1.00 0.02 C ATOM 523 C SER A 34 -18.675 9.904 -2.573 1.00 0.00 C ATOM 524 O SER A 34 -18.083 10.924 -2.280 1.00 0.01 O ATOM 525 CB SER A 34 -21.005 10.659 -3.060 1.00 0.02 C ATOM 526 OG SER A 34 -21.575 9.892 -2.007 1.00 0.02 O ATOM 0 H SER A 34 -20.999 8.163 -3.476 1.00 0.02 H new ATOM 0 HA SER A 34 -19.412 10.420 -4.514 1.00 0.02 H new ATOM 0 HB2 SER A 34 -20.706 11.640 -2.690 1.00 0.02 H new ATOM 0 HB3 SER A 34 -21.743 10.825 -3.845 1.00 0.02 H new ATOM 0 HG SER A 34 -22.352 10.365 -1.641 1.00 0.02 H new ATOM 532 N ARG A 35 -18.377 8.769 -1.999 1.00 0.02 N ATOM 533 CA ARG A 35 -17.299 8.701 -0.964 1.00 0.01 C ATOM 534 C ARG A 35 -17.024 7.225 -0.665 1.00 0.02 C ATOM 535 O ARG A 35 -17.836 6.370 -0.963 1.00 0.02 O ATOM 536 CB ARG A 35 -17.776 9.410 0.307 1.00 0.02 C ATOM 537 CG ARG A 35 -16.793 9.155 1.453 1.00 0.02 C ATOM 538 CD ARG A 35 -17.102 10.106 2.617 1.00 0.02 C ATOM 539 NE ARG A 35 -16.524 9.557 3.875 1.00 0.02 N ATOM 540 CZ ARG A 35 -16.393 10.326 4.921 1.00 0.02 C ATOM 541 NH1 ARG A 35 -16.747 11.581 4.857 1.00 0.00 N ATOM 542 NH2 ARG A 35 -15.908 9.844 6.034 1.00 0.02 N ATOM 0 H ARG A 35 -18.835 7.881 -2.202 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.390 9.187 -1.319 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -17.863 10.481 0.124 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -18.768 9.052 0.582 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -16.868 8.120 1.786 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -15.770 9.306 1.108 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -16.687 11.093 2.414 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -18.180 10.229 2.723 1.00 0.02 H new ATOM 0 HE ARG A 35 -16.231 8.581 3.919 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -17.126 11.960 3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.645 12.182 5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.630 8.864 6.087 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -15.807 10.448 6.850 1.00 0.02 H new ATOM 556 N CYS A 36 -15.892 6.901 -0.083 1.00 0.02 N ATOM 557 CA CYS A 36 -15.580 5.468 0.226 1.00 0.02 C ATOM 558 C CYS A 36 -14.860 5.377 1.576 1.00 0.02 C ATOM 559 O CYS A 36 -13.766 5.889 1.717 1.00 0.02 O ATOM 560 CB CYS A 36 -14.664 4.908 -0.866 1.00 0.02 C ATOM 561 SG CYS A 36 -15.210 5.513 -2.481 1.00 0.02 S ATOM 0 H CYS A 36 -15.171 7.568 0.191 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.507 4.896 0.267 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -13.633 5.211 -0.682 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -14.684 3.818 -0.848 1.00 0.02 H new ATOM 0 HG CYS A 36 -14.204 5.522 -3.304 1.00 0.02 H new ATOM 567 N ASN A 37 -15.448 4.756 2.576 1.00 0.02 N ATOM 568 CA ASN A 37 -14.767 4.679 3.914 1.00 0.01 C ATOM 569 C ASN A 37 -14.262 3.257 4.187 1.00 0.02 C ATOM 570 O ASN A 37 -13.657 2.981 5.205 1.00 0.02 O ATOM 571 CB ASN A 37 -15.747 5.081 5.018 1.00 0.02 C ATOM 572 CG ASN A 37 -16.506 6.342 4.599 1.00 0.01 C ATOM 573 OD1 ASN A 37 -16.903 6.475 3.459 1.00 0.03 O ATOM 574 ND2 ASN A 37 -16.727 7.277 5.478 1.00 0.02 N ATOM 0 H ASN A 37 -16.361 4.303 2.525 1.00 0.02 H new ATOM 0 HA ASN A 37 -13.917 5.361 3.903 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.449 4.269 5.208 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -15.208 5.261 5.948 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -17.233 8.121 5.209 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -16.394 7.166 6.436 1.00 0.02 H new ATOM 581 N SER A 38 -14.482 2.361 3.263 1.00 0.02 N ATOM 582 CA SER A 38 -14.002 0.959 3.425 1.00 0.02 C ATOM 583 C SER A 38 -13.864 0.342 2.033 1.00 0.01 C ATOM 584 O SER A 38 -14.504 0.769 1.092 1.00 0.02 O ATOM 585 CB SER A 38 -14.990 0.148 4.266 1.00 0.01 C ATOM 586 OG SER A 38 -14.557 -1.204 4.327 1.00 0.02 O ATOM 0 H SER A 38 -14.980 2.544 2.392 1.00 0.02 H new ATOM 0 HA SER A 38 -13.041 0.951 3.939 1.00 0.02 H new ATOM 0 HB2 SER A 38 -15.058 0.566 5.271 1.00 0.01 H new ATOM 0 HB3 SER A 38 -15.987 0.203 3.830 1.00 0.01 H new ATOM 0 HG SER A 38 -13.601 -1.232 4.539 1.00 0.02 H new ATOM 592 N ILE A 39 -13.016 -0.642 1.883 1.00 0.02 N ATOM 593 CA ILE A 39 -12.821 -1.262 0.532 1.00 0.02 C ATOM 594 C ILE A 39 -12.524 -2.758 0.667 1.00 0.02 C ATOM 595 O ILE A 39 -11.870 -3.203 1.591 1.00 0.02 O ATOM 596 CB ILE A 39 -11.627 -0.590 -0.153 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.751 0.933 -0.019 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.604 -0.976 -1.636 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.656 1.616 -0.842 1.00 0.00 C ATOM 0 H ILE A 39 -12.451 -1.044 2.631 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.731 -1.127 -0.053 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.703 -0.921 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.733 1.259 -0.362 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.666 1.223 1.028 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.754 -0.498 -2.123 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.514 -2.058 -1.729 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.528 -0.647 -2.112 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.748 2.698 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.678 1.301 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.761 1.337 -1.890 1.00 0.00 H new ATOM 611 N ARG A 40 -12.968 -3.525 -0.299 1.00 0.02 N ATOM 612 CA ARG A 40 -12.695 -4.993 -0.317 1.00 0.02 C ATOM 613 C ARG A 40 -11.997 -5.333 -1.636 1.00 0.01 C ATOM 614 O ARG A 40 -12.530 -5.086 -2.699 1.00 0.02 O ATOM 615 CB ARG A 40 -13.997 -5.798 -0.223 1.00 0.01 C ATOM 616 CG ARG A 40 -13.672 -7.261 0.077 1.00 0.02 C ATOM 617 CD ARG A 40 -14.926 -8.114 -0.121 1.00 0.02 C ATOM 618 NE ARG A 40 -16.069 -7.491 0.603 1.00 0.02 N ATOM 619 CZ ARG A 40 -17.291 -7.870 0.347 1.00 0.02 C ATOM 620 NH1 ARG A 40 -17.516 -8.796 -0.544 1.00 0.02 N ATOM 621 NH2 ARG A 40 -18.289 -7.324 0.985 1.00 0.02 N ATOM 0 H ARG A 40 -13.518 -3.187 -1.089 1.00 0.02 H new ATOM 0 HA ARG A 40 -12.070 -5.249 0.539 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.635 -5.388 0.560 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.552 -5.722 -1.158 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -12.875 -7.609 -0.580 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -13.309 -7.361 1.100 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.157 -8.199 -1.183 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -14.754 -9.124 0.250 1.00 0.02 H new ATOM 0 HE ARG A 40 -15.896 -6.767 1.300 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.736 -9.225 -1.042 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -18.472 -9.091 -0.743 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -18.114 -6.601 1.683 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -19.245 -7.620 0.786 1.00 0.02 H new ATOM 635 N VAL A 41 -10.841 -5.945 -1.582 1.00 0.02 N ATOM 636 CA VAL A 41 -10.142 -6.358 -2.840 1.00 0.01 C ATOM 637 C VAL A 41 -10.279 -7.874 -2.947 1.00 0.02 C ATOM 638 O VAL A 41 -9.787 -8.606 -2.114 1.00 0.02 O ATOM 639 CB VAL A 41 -8.669 -5.952 -2.783 1.00 0.01 C ATOM 640 CG1 VAL A 41 -8.003 -6.278 -4.124 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.577 -4.447 -2.531 1.00 0.00 C ATOM 0 H VAL A 41 -10.349 -6.178 -0.719 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.581 -5.870 -3.711 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.167 -6.494 -1.982 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.952 -5.990 -4.088 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -8.080 -7.348 -4.318 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.503 -5.728 -4.922 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.530 -4.149 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.075 -3.912 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.061 -4.206 -1.585 1.00 0.00 H new ATOM 651 N GLU A 42 -10.976 -8.345 -3.947 1.00 0.01 N ATOM 652 CA GLU A 42 -11.181 -9.816 -4.084 1.00 0.01 C ATOM 653 C GLU A 42 -9.990 -10.462 -4.785 1.00 0.02 C ATOM 654 O GLU A 42 -9.635 -11.589 -4.500 1.00 0.01 O ATOM 655 CB GLU A 42 -12.458 -10.078 -4.886 1.00 0.99 C ATOM 656 CG GLU A 42 -13.680 -9.757 -4.024 1.00 1.86 C ATOM 657 CD GLU A 42 -13.841 -10.832 -2.947 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.224 -11.937 -3.294 1.00 3.81 O ATOM 659 OE2 GLU A 42 -13.580 -10.533 -1.794 1.00 3.67 O ATOM 0 H GLU A 42 -11.411 -7.776 -4.673 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.274 -10.253 -3.090 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -12.465 -9.466 -5.788 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.490 -11.119 -5.208 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -13.564 -8.777 -3.561 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -14.575 -9.712 -4.645 1.00 1.86 H new ATOM 666 N GLY A 43 -9.366 -9.779 -5.704 1.00 0.01 N ATOM 667 CA GLY A 43 -8.210 -10.400 -6.404 1.00 0.02 C ATOM 668 C GLY A 43 -7.380 -9.340 -7.129 1.00 0.02 C ATOM 669 O GLY A 43 -7.890 -8.318 -7.543 1.00 0.02 O ATOM 0 H GLY A 43 -9.603 -8.831 -5.997 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.585 -10.928 -5.684 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.568 -11.140 -7.120 1.00 0.02 H new ATOM 673 N GLY A 44 -6.111 -9.581 -7.303 1.00 0.00 N ATOM 674 CA GLY A 44 -5.267 -8.587 -8.025 1.00 0.01 C ATOM 675 C GLY A 44 -4.799 -7.486 -7.070 1.00 0.01 C ATOM 676 O GLY A 44 -5.237 -7.397 -5.940 1.00 0.01 O ATOM 0 H GLY A 44 -5.624 -10.417 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.404 -9.086 -8.465 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.834 -8.148 -8.846 1.00 0.01 H new ATOM 680 N THR A 45 -3.934 -6.627 -7.545 1.00 0.01 N ATOM 681 CA THR A 45 -3.440 -5.483 -6.709 1.00 0.00 C ATOM 682 C THR A 45 -3.819 -4.180 -7.418 1.00 0.01 C ATOM 683 O THR A 45 -3.710 -4.079 -8.623 1.00 0.01 O ATOM 684 CB THR A 45 -1.917 -5.569 -6.574 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.575 -6.715 -5.807 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.393 -4.311 -5.877 1.00 1.48 C ATOM 0 H THR A 45 -3.543 -6.667 -8.486 1.00 0.01 H new ATOM 0 HA THR A 45 -3.886 -5.518 -5.715 1.00 0.00 H new ATOM 0 HB THR A 45 -1.468 -5.647 -7.564 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.600 -6.772 -5.721 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.309 -4.373 -5.781 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.656 -3.432 -6.466 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.841 -4.231 -4.886 1.00 1.48 H new ATOM 694 N TRP A 46 -4.332 -3.202 -6.700 1.00 0.02 N ATOM 695 CA TRP A 46 -4.784 -1.933 -7.370 1.00 0.01 C ATOM 696 C TRP A 46 -4.158 -0.691 -6.733 1.00 0.01 C ATOM 697 O TRP A 46 -3.814 -0.658 -5.568 1.00 0.01 O ATOM 698 CB TRP A 46 -6.305 -1.829 -7.249 1.00 0.00 C ATOM 699 CG TRP A 46 -6.941 -2.986 -7.952 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.845 -4.278 -7.565 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.764 -2.979 -9.154 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.559 -5.065 -8.450 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.143 -4.310 -9.448 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.216 -1.958 -10.008 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.941 -4.617 -10.551 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -9.019 -2.262 -11.119 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.381 -3.589 -11.389 1.00 0.01 C ATOM 0 H TRP A 46 -4.457 -3.227 -5.688 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.468 -1.973 -8.413 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.597 -1.822 -6.199 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.652 -0.891 -7.682 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.300 -4.637 -6.705 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.644 -6.079 -8.375 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.944 -0.932 -9.808 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.216 -5.641 -10.755 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.359 -1.469 -11.769 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -10.000 -3.817 -12.244 1.00 0.01 H new ATOM 718 N ALA A 47 -4.083 0.356 -7.514 1.00 0.01 N ATOM 719 CA ALA A 47 -3.566 1.668 -7.026 1.00 0.01 C ATOM 720 C ALA A 47 -4.780 2.589 -6.964 1.00 0.01 C ATOM 721 O ALA A 47 -5.561 2.655 -7.892 1.00 0.01 O ATOM 722 CB ALA A 47 -2.524 2.219 -8.004 1.00 0.24 C ATOM 0 H ALA A 47 -4.366 0.355 -8.494 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.080 1.579 -6.054 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.153 3.177 -7.639 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.695 1.516 -8.087 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -2.982 2.357 -8.984 1.00 0.24 H new ATOM 728 N VAL A 48 -4.932 3.318 -5.886 1.00 0.01 N ATOM 729 CA VAL A 48 -6.085 4.265 -5.757 1.00 0.02 C ATOM 730 C VAL A 48 -5.552 5.690 -5.611 1.00 0.01 C ATOM 731 O VAL A 48 -4.531 5.911 -4.990 1.00 0.01 O ATOM 732 CB VAL A 48 -6.929 3.894 -4.536 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.561 2.517 -4.753 1.00 0.48 C ATOM 734 CG2 VAL A 48 -6.040 3.858 -3.292 1.00 0.65 C ATOM 0 H VAL A 48 -4.303 3.298 -5.084 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.710 4.202 -6.648 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.715 4.637 -4.398 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.163 2.252 -3.884 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.195 2.543 -5.639 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.776 1.774 -4.891 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.642 3.594 -2.422 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.253 3.116 -3.428 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.590 4.839 -3.138 1.00 0.65 H new ATOM 744 N TYR A 49 -6.232 6.655 -6.185 1.00 0.01 N ATOM 745 CA TYR A 49 -5.763 8.079 -6.095 1.00 0.01 C ATOM 746 C TYR A 49 -6.837 8.952 -5.446 1.00 0.01 C ATOM 747 O TYR A 49 -8.027 8.726 -5.573 1.00 0.02 O ATOM 748 CB TYR A 49 -5.456 8.595 -7.500 1.00 0.01 C ATOM 749 CG TYR A 49 -4.293 7.818 -8.074 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.492 6.520 -8.563 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.017 8.395 -8.119 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.416 5.800 -9.097 1.00 0.01 C ATOM 753 CE2 TYR A 49 -1.942 7.675 -8.652 1.00 0.01 C ATOM 754 CZ TYR A 49 -2.141 6.378 -9.141 1.00 0.02 C ATOM 755 OH TYR A 49 -1.080 5.670 -9.666 1.00 0.01 O ATOM 0 H TYR A 49 -7.094 6.519 -6.713 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.863 8.122 -5.481 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.332 8.486 -8.139 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.217 9.658 -7.465 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.475 6.075 -8.528 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.863 9.395 -7.742 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.569 4.800 -9.475 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -0.958 8.120 -8.686 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.436 6.293 -10.063 1.00 0.01 H new ATOM 765 N GLU A 50 -6.397 9.932 -4.703 1.00 0.01 N ATOM 766 CA GLU A 50 -7.336 10.826 -3.970 1.00 0.01 C ATOM 767 C GLU A 50 -8.171 11.665 -4.939 1.00 0.01 C ATOM 768 O GLU A 50 -9.309 11.978 -4.653 1.00 0.02 O ATOM 769 CB GLU A 50 -6.518 11.759 -3.076 1.00 0.02 C ATOM 770 CG GLU A 50 -7.444 12.433 -2.062 1.00 0.01 C ATOM 771 CD GLU A 50 -6.697 13.575 -1.371 1.00 0.02 C ATOM 772 OE1 GLU A 50 -6.163 14.417 -2.072 1.00 0.01 O ATOM 773 OE2 GLU A 50 -6.670 13.586 -0.153 1.00 0.02 O ATOM 0 H GLU A 50 -5.410 10.153 -4.572 1.00 0.01 H new ATOM 0 HA GLU A 50 -8.015 10.214 -3.377 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.742 11.196 -2.558 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -6.015 12.512 -3.682 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -8.333 12.816 -2.563 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -7.783 11.706 -1.324 1.00 0.01 H new ATOM 780 N ARG A 51 -7.622 12.060 -6.067 1.00 0.02 N ATOM 781 CA ARG A 51 -8.400 12.912 -7.029 1.00 0.02 C ATOM 782 C ARG A 51 -8.409 12.242 -8.421 1.00 0.01 C ATOM 783 O ARG A 51 -7.549 11.431 -8.724 1.00 0.02 O ATOM 784 CB ARG A 51 -7.705 14.292 -7.111 1.00 0.02 C ATOM 785 CG ARG A 51 -8.371 15.284 -6.148 1.00 0.01 C ATOM 786 CD ARG A 51 -7.460 16.496 -5.946 1.00 0.02 C ATOM 787 NE ARG A 51 -7.004 17.004 -7.270 1.00 0.02 N ATOM 788 CZ ARG A 51 -6.474 18.192 -7.365 1.00 0.02 C ATOM 789 NH1 ARG A 51 -6.348 18.938 -6.302 1.00 0.02 N ATOM 790 NH2 ARG A 51 -6.070 18.636 -8.525 1.00 0.01 N ATOM 0 H ARG A 51 -6.673 11.831 -6.362 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.430 13.029 -6.693 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.648 14.189 -6.864 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -7.759 14.673 -8.131 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.334 15.603 -6.547 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.567 14.801 -5.191 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -7.994 17.280 -5.409 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -6.600 16.220 -5.335 1.00 0.02 H new ATOM 0 HE ARG A 51 -7.106 16.423 -8.102 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -6.664 18.592 -5.396 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -5.933 19.867 -6.377 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -6.169 18.054 -9.357 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -5.656 19.565 -8.599 1.00 0.01 H new ATOM 804 N PRO A 52 -9.378 12.578 -9.262 1.00 0.02 N ATOM 805 CA PRO A 52 -9.479 11.976 -10.626 1.00 0.02 C ATOM 806 C PRO A 52 -8.187 12.113 -11.438 1.00 0.01 C ATOM 807 O PRO A 52 -7.296 12.873 -11.118 1.00 0.02 O ATOM 808 CB PRO A 52 -10.642 12.771 -11.264 1.00 0.02 C ATOM 809 CG PRO A 52 -11.083 13.868 -10.277 1.00 0.01 C ATOM 810 CD PRO A 52 -10.439 13.573 -8.914 1.00 0.01 C ATOM 0 HA PRO A 52 -9.649 10.900 -10.594 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.324 13.215 -12.207 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.476 12.107 -11.490 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -10.777 14.850 -10.638 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.169 13.886 -10.189 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -10.019 14.471 -8.461 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.160 13.166 -8.205 1.00 0.01 H new ATOM 818 N ASN A 53 -8.129 11.382 -12.519 1.00 0.02 N ATOM 819 CA ASN A 53 -6.956 11.441 -13.432 1.00 0.02 C ATOM 820 C ASN A 53 -5.689 10.949 -12.735 1.00 0.01 C ATOM 821 O ASN A 53 -4.603 11.440 -12.965 1.00 0.01 O ATOM 822 CB ASN A 53 -6.765 12.883 -13.911 1.00 0.01 C ATOM 823 CG ASN A 53 -8.132 13.511 -14.194 1.00 0.02 C ATOM 824 OD1 ASN A 53 -8.861 13.047 -15.047 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.513 14.553 -13.508 1.00 0.01 N ATOM 0 H ASN A 53 -8.861 10.735 -12.811 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.143 10.788 -14.285 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -6.236 13.462 -13.154 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.151 12.900 -14.812 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -9.423 14.977 -13.688 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.901 14.943 -12.791 1.00 0.01 H new ATOM 832 N PHE A 54 -5.832 9.956 -11.899 1.00 0.02 N ATOM 833 CA PHE A 54 -4.660 9.378 -11.187 1.00 0.01 C ATOM 834 C PHE A 54 -3.767 10.489 -10.630 1.00 0.01 C ATOM 835 O PHE A 54 -2.573 10.519 -10.853 1.00 0.02 O ATOM 836 CB PHE A 54 -3.867 8.491 -12.162 1.00 1.78 C ATOM 837 CG PHE A 54 -4.819 7.847 -13.149 1.00 2.32 C ATOM 838 CD1 PHE A 54 -5.793 6.951 -12.695 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.729 8.150 -14.514 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.676 6.357 -13.604 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.613 7.555 -15.422 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.587 6.659 -14.967 1.00 3.39 C ATOM 0 H PHE A 54 -6.725 9.516 -11.677 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.009 8.775 -10.348 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.126 9.088 -12.693 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.323 7.723 -11.612 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -5.863 6.718 -11.643 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -3.978 8.842 -14.865 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.427 5.665 -13.253 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.543 7.788 -16.474 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.269 6.201 -15.668 1.00 3.39 H new ATOM 852 N SER A 55 -4.361 11.405 -9.900 1.00 0.02 N ATOM 853 CA SER A 55 -3.584 12.540 -9.304 1.00 0.02 C ATOM 854 C SER A 55 -3.839 12.610 -7.796 1.00 0.01 C ATOM 855 O SER A 55 -4.771 12.017 -7.287 1.00 0.01 O ATOM 856 CB SER A 55 -4.034 13.848 -9.955 1.00 1.90 C ATOM 857 OG SER A 55 -5.250 14.275 -9.357 1.00 2.33 O ATOM 0 H SER A 55 -5.359 11.415 -9.690 1.00 0.02 H new ATOM 0 HA SER A 55 -2.520 12.383 -9.480 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.267 14.612 -9.832 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.173 13.706 -11.027 1.00 1.90 H new ATOM 0 HG SER A 55 -6.007 13.886 -9.842 1.00 2.33 H new ATOM 863 N GLY A 56 -3.008 13.319 -7.073 1.00 0.02 N ATOM 864 CA GLY A 56 -3.186 13.420 -5.594 1.00 0.02 C ATOM 865 C GLY A 56 -2.446 12.269 -4.903 1.00 0.02 C ATOM 866 O GLY A 56 -1.574 11.651 -5.481 1.00 0.00 O ATOM 0 H GLY A 56 -2.211 13.834 -7.447 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -2.804 14.376 -5.237 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.246 13.386 -5.343 1.00 0.02 H new ATOM 870 N HIS A 57 -2.770 11.983 -3.671 1.00 0.02 N ATOM 871 CA HIS A 57 -2.062 10.881 -2.950 1.00 0.02 C ATOM 872 C HIS A 57 -2.371 9.536 -3.613 1.00 0.01 C ATOM 873 O HIS A 57 -3.496 9.268 -3.981 1.00 0.01 O ATOM 874 CB HIS A 57 -2.522 10.850 -1.490 1.00 0.00 C ATOM 875 CG HIS A 57 -2.401 12.228 -0.896 1.00 0.01 C ATOM 876 ND1 HIS A 57 -3.121 13.378 -1.098 1.00 0.01 N flip ATOM 877 CD2 HIS A 57 -1.434 12.546 0.045 1.00 0.01 C flip ATOM 878 CE1 HIS A 57 -2.611 14.397 -0.296 1.00 0.02 C flip ATOM 879 NE2 HIS A 57 -1.596 13.842 0.372 1.00 0.01 N flip ATOM 0 H HIS A 57 -3.492 12.462 -3.132 1.00 0.02 H new ATOM 0 HA HIS A 57 -0.987 11.059 -2.992 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.555 10.506 -1.430 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.917 10.143 -0.922 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.687 11.876 0.443 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -2.961 15.416 -0.229 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -1.015 14.339 1.047 1.00 0.01 H new ATOM 887 N MET A 58 -1.374 8.689 -3.757 1.00 0.02 N ATOM 888 CA MET A 58 -1.586 7.347 -4.391 1.00 0.02 C ATOM 889 C MET A 58 -1.258 6.243 -3.379 1.00 0.01 C ATOM 890 O MET A 58 -0.283 6.316 -2.659 1.00 0.01 O ATOM 891 CB MET A 58 -0.660 7.211 -5.601 1.00 2.61 C ATOM 892 CG MET A 58 0.797 7.281 -5.138 1.00 3.46 C ATOM 893 SD MET A 58 1.874 7.556 -6.567 1.00 4.50 S ATOM 894 CE MET A 58 1.442 6.050 -7.472 1.00 5.01 C ATOM 0 H MET A 58 -0.416 8.873 -3.459 1.00 0.02 H new ATOM 0 HA MET A 58 -2.625 7.254 -4.707 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.846 6.265 -6.110 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.863 8.005 -6.319 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.921 8.087 -4.415 1.00 3.46 H new ATOM 0 HG3 MET A 58 1.074 6.355 -4.634 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.125 5.922 -8.312 1.00 5.01 H new ATOM 0 HE2 MET A 58 1.520 5.190 -6.806 1.00 5.01 H new ATOM 0 HE3 MET A 58 0.420 6.129 -7.844 1.00 5.01 H new ATOM 904 N TYR A 59 -2.075 5.220 -3.321 1.00 0.02 N ATOM 905 CA TYR A 59 -1.838 4.091 -2.358 1.00 0.01 C ATOM 906 C TYR A 59 -2.015 2.749 -3.079 1.00 0.01 C ATOM 907 O TYR A 59 -2.917 2.564 -3.872 1.00 0.02 O ATOM 908 CB TYR A 59 -2.849 4.170 -1.217 1.00 0.01 C ATOM 909 CG TYR A 59 -2.536 5.362 -0.345 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.611 5.240 0.699 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.171 6.588 -0.577 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.322 6.343 1.512 1.00 0.02 C ATOM 913 CE2 TYR A 59 -2.881 7.691 0.235 1.00 0.01 C ATOM 914 CZ TYR A 59 -1.957 7.568 1.279 1.00 0.01 C ATOM 915 OH TYR A 59 -1.671 8.655 2.080 1.00 0.01 O ATOM 0 H TYR A 59 -2.905 5.115 -3.904 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.825 4.169 -1.964 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.859 4.255 -1.618 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.817 3.255 -0.625 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -1.120 4.295 0.877 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -3.884 6.683 -1.382 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.610 6.248 2.318 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.370 8.637 0.056 1.00 0.01 H new ATOM 0 HH TYR A 59 -0.845 8.485 2.579 1.00 0.01 H new ATOM 925 N ILE A 60 -1.148 1.811 -2.792 1.00 0.02 N ATOM 926 CA ILE A 60 -1.231 0.457 -3.430 1.00 0.01 C ATOM 927 C ILE A 60 -1.994 -0.492 -2.496 1.00 0.01 C ATOM 928 O ILE A 60 -1.719 -0.551 -1.314 1.00 0.01 O ATOM 929 CB ILE A 60 0.184 -0.081 -3.663 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.071 1.028 -4.249 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.129 -1.258 -4.637 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.385 1.664 -5.462 1.00 1.72 C ATOM 0 H ILE A 60 -0.376 1.925 -2.135 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.753 0.529 -4.384 1.00 0.01 H new ATOM 0 HB ILE A 60 0.603 -0.413 -2.713 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.265 1.787 -3.492 1.00 1.35 H new ATOM 0 HG13 ILE A 60 2.036 0.616 -4.542 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.136 -1.641 -4.803 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.495 -2.048 -4.219 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.293 -0.926 -5.585 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.022 2.449 -5.870 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.214 0.903 -6.223 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.569 2.093 -5.157 1.00 1.72 H new ATOM 944 N LEU A 61 -2.965 -1.218 -3.011 1.00 0.01 N ATOM 945 CA LEU A 61 -3.768 -2.149 -2.142 1.00 0.01 C ATOM 946 C LEU A 61 -3.658 -3.614 -2.647 1.00 0.01 C ATOM 947 O LEU A 61 -4.196 -3.937 -3.688 1.00 0.00 O ATOM 948 CB LEU A 61 -5.253 -1.719 -2.201 1.00 0.01 C ATOM 949 CG LEU A 61 -5.579 -0.698 -1.092 1.00 0.02 C ATOM 950 CD1 LEU A 61 -7.012 -0.193 -1.294 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.454 -1.350 0.306 1.00 0.01 C ATOM 0 H LEU A 61 -3.236 -1.206 -3.994 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.383 -2.098 -1.124 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.470 -1.283 -3.176 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.893 -2.595 -2.093 1.00 0.01 H new ATOM 0 HG LEU A 61 -4.873 0.130 -1.150 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.256 0.530 -0.516 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -7.096 0.283 -2.271 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.705 -1.033 -1.239 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -5.688 -0.612 1.074 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.150 -2.186 0.381 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -4.436 -1.712 0.449 1.00 0.01 H new ATOM 963 N PRO A 62 -3.016 -4.518 -1.918 1.00 0.02 N ATOM 964 CA PRO A 62 -2.958 -5.939 -2.361 1.00 0.01 C ATOM 965 C PRO A 62 -4.295 -6.636 -2.058 1.00 0.00 C ATOM 966 O PRO A 62 -5.140 -6.093 -1.374 1.00 0.02 O ATOM 967 CB PRO A 62 -1.814 -6.505 -1.507 1.00 1.47 C ATOM 968 CG PRO A 62 -1.592 -5.544 -0.322 1.00 1.29 C ATOM 969 CD PRO A 62 -2.302 -4.212 -0.641 1.00 0.82 C ATOM 0 HA PRO A 62 -2.792 -6.073 -3.430 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -2.063 -7.504 -1.148 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.904 -6.597 -2.100 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -1.989 -5.976 0.597 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.527 -5.378 -0.162 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -2.993 -3.922 0.150 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.592 -3.393 -0.760 1.00 0.82 H new ATOM 977 N GLN A 63 -4.502 -7.825 -2.558 1.00 0.02 N ATOM 978 CA GLN A 63 -5.792 -8.528 -2.292 1.00 0.00 C ATOM 979 C GLN A 63 -6.068 -8.576 -0.785 1.00 0.00 C ATOM 980 O GLN A 63 -5.169 -8.773 0.008 1.00 0.02 O ATOM 981 CB GLN A 63 -5.707 -9.955 -2.836 1.00 1.27 C ATOM 982 CG GLN A 63 -4.538 -10.684 -2.172 1.00 1.67 C ATOM 983 CD GLN A 63 -4.366 -12.062 -2.813 1.00 2.43 C ATOM 984 OE1 GLN A 63 -4.936 -13.031 -2.355 1.00 4.25 O ATOM 985 NE2 GLN A 63 -3.600 -12.190 -3.861 1.00 3.04 N ATOM 0 H GLN A 63 -3.837 -8.338 -3.137 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.601 -7.988 -2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.639 -10.486 -2.641 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -5.571 -9.936 -3.917 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.623 -10.103 -2.283 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.721 -10.789 -1.103 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -3.121 -11.375 -4.245 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -3.480 -13.105 -4.296 1.00 3.04 H new ATOM 994 N GLY A 64 -7.302 -8.406 -0.374 1.00 0.02 N ATOM 995 CA GLY A 64 -7.604 -8.453 1.089 1.00 0.01 C ATOM 996 C GLY A 64 -8.882 -7.664 1.407 1.00 0.02 C ATOM 997 O GLY A 64 -9.539 -7.135 0.533 1.00 0.02 O ATOM 0 H GLY A 64 -8.104 -8.239 -0.982 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.722 -9.489 1.408 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.767 -8.040 1.651 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.236 -7.589 2.667 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.471 -6.848 3.083 1.00 0.02 C ATOM 1003 C GLU A 65 -10.100 -5.724 4.054 1.00 0.02 C ATOM 1004 O GLU A 65 -9.384 -5.925 5.015 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.412 -7.824 3.791 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.695 -7.097 4.197 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.697 -8.106 4.762 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -13.360 -8.764 5.731 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -14.785 -8.201 4.217 1.00 0.96 O ATOM 0 H GLU A 65 -8.716 -8.014 3.435 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.954 -6.421 2.204 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.648 -8.659 3.132 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.924 -8.241 4.672 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.472 -6.333 4.942 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -13.124 -6.586 3.335 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.610 -4.540 3.808 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.336 -3.373 4.702 1.00 0.02 C ATOM 1018 C TYR A 66 -11.687 -2.842 5.223 1.00 0.02 C ATOM 1019 O TYR A 66 -12.346 -2.084 4.535 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.653 -2.283 3.874 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.336 -2.810 3.362 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.290 -3.526 2.160 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -7.164 -2.596 4.095 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -7.070 -4.022 1.689 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.942 -3.092 3.623 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.896 -3.808 2.421 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.692 -4.297 1.954 1.00 0.01 O ATOM 0 H TYR A 66 -11.214 -4.332 3.013 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.697 -3.661 5.537 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.290 -1.988 3.040 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.492 -1.393 4.482 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.196 -3.695 1.597 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.201 -2.048 5.025 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -7.034 -4.571 0.760 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -5.036 -2.922 4.186 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.977 -4.060 2.581 1.00 0.01 H new ATOM 1037 N PRO A 67 -12.121 -3.235 6.409 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.436 -2.763 6.937 1.00 0.02 C ATOM 1039 C PRO A 67 -13.470 -1.258 7.257 1.00 0.02 C ATOM 1040 O PRO A 67 -14.505 -0.731 7.610 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.624 -3.614 8.212 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.369 -4.493 8.407 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.360 -4.169 7.288 1.00 0.01 C ATOM 0 HA PRO A 67 -14.232 -2.883 6.202 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.773 -2.970 9.078 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.513 -4.238 8.123 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.924 -4.304 9.384 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.639 -5.549 8.378 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.456 -3.705 7.682 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -11.051 -5.066 6.752 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.377 -0.555 7.124 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.407 0.911 7.413 1.00 0.01 C ATOM 1053 C GLU A 68 -11.243 1.571 6.675 1.00 0.03 C ATOM 1054 O GLU A 68 -10.267 0.941 6.323 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.249 1.158 8.918 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.506 0.699 9.663 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.495 1.271 11.083 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -13.108 2.418 11.236 1.00 1.55 O ATOM 1059 OE2 GLU A 68 -13.872 0.551 11.993 1.00 2.02 O ATOM 0 H GLU A 68 -11.473 -0.926 6.831 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.359 1.328 7.085 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.378 0.620 9.293 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -12.074 2.218 9.104 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.398 1.032 9.132 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.544 -0.390 9.698 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.373 2.840 6.398 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.319 3.554 5.628 1.00 0.02 C ATOM 1068 C TYR A 69 -8.964 3.526 6.346 1.00 0.01 C ATOM 1069 O TYR A 69 -7.928 3.384 5.728 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.768 4.994 5.364 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.956 5.722 6.676 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -12.143 5.563 7.402 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -9.946 6.562 7.163 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -12.320 6.243 8.613 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -10.123 7.240 8.376 1.00 0.02 C ATOM 1076 CZ TYR A 69 -11.310 7.081 9.099 1.00 0.02 C ATOM 1077 OH TYR A 69 -11.487 7.752 10.293 1.00 0.01 O ATOM 0 H TYR A 69 -12.169 3.415 6.674 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.181 3.037 4.678 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -10.026 5.510 4.755 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.701 4.996 4.800 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.922 4.916 7.028 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -9.031 6.687 6.603 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -13.236 6.121 9.172 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -9.343 7.885 8.753 1.00 0.02 H new ATOM 0 HH TYR A 69 -10.691 8.290 10.487 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.958 3.668 7.646 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.670 3.648 8.399 1.00 0.02 C ATOM 1089 C GLN A 70 -6.953 2.309 8.190 1.00 0.01 C ATOM 1090 O GLN A 70 -5.751 2.202 8.331 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.959 3.831 9.890 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.752 5.120 10.106 1.00 0.01 C ATOM 1093 CD GLN A 70 -8.885 5.395 11.606 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -9.225 4.512 12.368 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -8.628 6.588 12.067 1.00 0.02 N ATOM 0 H GLN A 70 -9.792 3.797 8.219 1.00 0.01 H new ATOM 0 HA GLN A 70 -7.033 4.455 8.035 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.522 2.978 10.269 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -7.024 3.869 10.450 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.250 5.954 9.616 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.740 5.032 9.653 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -8.342 7.331 11.429 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -8.713 6.778 13.066 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.696 1.288 7.848 1.00 0.01 N ATOM 1105 CA ARG A 71 -7.072 -0.046 7.618 1.00 0.02 C ATOM 1106 C ARG A 71 -6.254 0.002 6.329 1.00 0.01 C ATOM 1107 O ARG A 71 -5.388 -0.816 6.087 1.00 0.02 O ATOM 1108 CB ARG A 71 -8.166 -1.113 7.500 1.00 0.34 C ATOM 1109 CG ARG A 71 -9.012 -1.145 8.785 1.00 0.72 C ATOM 1110 CD ARG A 71 -8.317 -1.990 9.860 1.00 1.04 C ATOM 1111 NE ARG A 71 -9.216 -2.129 11.040 1.00 1.67 N ATOM 1112 CZ ARG A 71 -8.971 -3.039 11.943 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -7.939 -3.827 11.812 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -9.756 -3.160 12.979 1.00 3.42 N ATOM 0 H ARG A 71 -8.707 1.322 7.719 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.420 -0.297 8.455 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.802 -0.899 6.641 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -7.715 -2.090 7.327 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -9.165 -0.130 9.153 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -9.998 -1.558 8.569 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -8.069 -2.973 9.461 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -7.379 -1.520 10.157 1.00 1.04 H new ATOM 0 HE ARG A 71 -10.023 -1.513 11.142 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -7.324 -3.732 11.004 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -7.748 -4.538 12.518 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -10.562 -2.543 13.083 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -9.564 -3.871 13.684 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.533 0.975 5.503 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.805 1.137 4.212 1.00 0.01 C ATOM 1130 C TRP A 72 -4.884 2.357 4.354 1.00 0.01 C ATOM 1131 O TRP A 72 -4.299 2.837 3.405 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.870 1.327 3.106 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.391 2.217 1.998 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.340 1.963 1.186 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.946 3.493 1.563 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -5.213 3.004 0.283 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -6.180 3.970 0.477 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -8.030 4.274 2.005 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.476 5.181 -0.151 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.332 5.492 1.376 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.555 5.945 0.300 1.00 0.02 C ATOM 0 H TRP A 72 -7.251 1.679 5.674 1.00 0.02 H new ATOM 0 HA TRP A 72 -5.190 0.275 3.952 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -7.141 0.354 2.696 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.773 1.751 3.544 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.704 1.091 1.234 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.493 3.052 -0.438 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.634 3.934 2.834 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.875 5.525 -0.980 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -9.167 6.083 1.722 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.791 6.884 -0.179 1.00 0.02 H new ATOM 1152 N MET A 73 -4.757 2.848 5.555 1.00 0.02 N ATOM 1153 CA MET A 73 -3.885 4.031 5.812 1.00 0.02 C ATOM 1154 C MET A 73 -4.377 5.239 5.007 1.00 0.01 C ATOM 1155 O MET A 73 -3.638 6.167 4.739 1.00 0.02 O ATOM 1156 CB MET A 73 -2.440 3.706 5.418 1.00 0.02 C ATOM 1157 CG MET A 73 -2.063 2.319 5.943 1.00 0.01 C ATOM 1158 SD MET A 73 -2.380 2.235 7.723 1.00 0.01 S ATOM 1159 CE MET A 73 -1.874 0.515 7.959 1.00 0.01 C ATOM 0 H MET A 73 -5.226 2.476 6.381 1.00 0.02 H new ATOM 0 HA MET A 73 -3.927 4.272 6.874 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.333 3.737 4.334 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.764 4.457 5.827 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.640 1.554 5.424 1.00 0.01 H new ATOM 0 HG3 MET A 73 -1.011 2.116 5.741 1.00 0.01 H new ATOM 0 HE1 MET A 73 -1.989 0.242 9.008 1.00 0.01 H new ATOM 0 HE2 MET A 73 -2.497 -0.135 7.345 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.830 0.399 7.667 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.628 5.230 4.623 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.174 6.370 3.840 1.00 0.02 C ATOM 1171 C GLY A 74 -6.042 7.653 4.654 1.00 0.01 C ATOM 1172 O GLY A 74 -6.220 7.655 5.856 1.00 0.01 O ATOM 0 H GLY A 74 -6.292 4.481 4.820 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.637 6.468 2.897 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.220 6.188 3.594 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.776 8.756 4.010 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.688 10.041 4.760 1.00 0.02 C ATOM 1178 C LEU A 75 -7.120 10.522 5.027 1.00 0.01 C ATOM 1179 O LEU A 75 -7.402 11.151 6.028 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.921 11.077 3.934 1.00 0.55 C ATOM 1181 CG LEU A 75 -3.649 10.445 3.363 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -2.897 11.483 2.527 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -2.752 9.964 4.510 1.00 0.42 C ATOM 0 H LEU A 75 -5.617 8.824 3.005 1.00 0.02 H new ATOM 0 HA LEU A 75 -5.156 9.902 5.701 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -5.549 11.448 3.124 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -4.665 11.934 4.556 1.00 0.55 H new ATOM 0 HG LEU A 75 -3.917 9.595 2.735 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -1.991 11.035 2.120 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -3.533 11.822 1.710 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -2.630 12.333 3.156 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -1.847 9.515 4.100 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -2.483 10.811 5.141 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -3.287 9.224 5.105 1.00 0.42 H new ATOM 1195 N ASN A 76 -8.030 10.196 4.144 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.457 10.571 4.308 1.00 0.02 C ATOM 1197 C ASN A 76 -10.264 9.581 3.466 1.00 0.02 C ATOM 1198 O ASN A 76 -9.720 8.613 2.971 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.688 12.003 3.814 1.00 0.02 C ATOM 1200 CG ASN A 76 -11.070 12.481 4.263 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -11.779 13.117 3.509 1.00 0.01 O ATOM 1202 ND2 ASN A 76 -11.483 12.199 5.468 1.00 0.02 N ATOM 0 H ASN A 76 -7.831 9.670 3.293 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.758 10.534 5.355 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -8.917 12.664 4.209 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -9.614 12.041 2.727 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -12.403 12.513 5.778 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -10.886 11.665 6.100 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.545 9.786 3.299 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.356 8.820 2.488 1.00 0.01 C ATOM 1211 C ASP A 77 -12.552 9.350 1.065 1.00 0.01 C ATOM 1212 O ASP A 77 -13.547 9.057 0.425 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.726 8.637 3.145 1.00 0.01 C ATOM 1214 CG ASP A 77 -13.561 7.885 4.468 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -12.571 7.187 4.609 1.00 0.02 O ATOM 1216 OD2 ASP A 77 -14.425 8.022 5.318 1.00 0.01 O ATOM 0 H ASP A 77 -12.065 10.574 3.685 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.828 7.867 2.443 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.189 9.608 3.321 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -14.389 8.084 2.480 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.633 10.142 0.562 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.791 10.703 -0.819 1.00 0.01 C ATOM 1223 C ARG A 78 -11.019 9.862 -1.844 1.00 0.02 C ATOM 1224 O ARG A 78 -9.819 9.695 -1.748 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.274 12.146 -0.842 1.00 0.43 C ATOM 1226 CG ARG A 78 -12.014 12.971 0.215 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.478 14.404 0.217 1.00 1.00 C ATOM 1228 NE ARG A 78 -10.123 14.429 0.837 1.00 1.30 N ATOM 1229 CZ ARG A 78 -9.354 15.471 0.684 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -9.774 16.495 -0.008 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -8.165 15.491 1.223 1.00 3.20 N ATOM 0 H ARG A 78 -10.781 10.424 1.048 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.848 10.682 -1.085 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -10.202 12.162 -0.646 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -11.425 12.582 -1.830 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -13.084 12.973 0.006 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -11.882 12.522 1.199 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -11.430 14.787 -0.803 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.154 15.055 0.770 1.00 1.00 H new ATOM 0 HE ARG A 78 -9.797 13.630 1.381 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -10.703 16.480 -0.429 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -9.173 17.310 -0.128 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -7.837 14.691 1.764 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -7.564 16.306 1.103 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.700 9.357 -2.838 1.00 0.01 N ATOM 1246 CA LEU A 79 -11.029 8.548 -3.904 1.00 0.01 C ATOM 1247 C LEU A 79 -11.718 8.873 -5.235 1.00 0.01 C ATOM 1248 O LEU A 79 -12.917 8.728 -5.364 1.00 0.02 O ATOM 1249 CB LEU A 79 -11.181 7.056 -3.588 1.00 1.04 C ATOM 1250 CG LEU A 79 -10.187 6.648 -2.488 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.465 5.197 -2.084 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.731 6.786 -2.991 1.00 2.61 C ATOM 0 H LEU A 79 -12.706 9.471 -2.960 1.00 0.01 H new ATOM 0 HA LEU A 79 -9.966 8.784 -3.958 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -12.201 6.846 -3.264 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -11.004 6.465 -4.487 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.313 7.305 -1.627 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.766 4.896 -1.304 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.485 5.113 -1.709 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.342 4.548 -2.951 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -8.043 6.493 -2.198 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.583 6.141 -3.857 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.540 7.822 -3.273 1.00 2.61 H new ATOM 1264 N GLY A 80 -10.985 9.366 -6.210 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.616 9.763 -7.518 1.00 0.02 C ATOM 1266 C GLY A 80 -11.246 8.821 -8.670 1.00 0.02 C ATOM 1267 O GLY A 80 -11.898 8.821 -9.696 1.00 0.01 O ATOM 0 H GLY A 80 -9.977 9.511 -6.158 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.700 9.779 -7.403 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.307 10.777 -7.771 1.00 0.02 H new ATOM 1271 N SER A 81 -10.217 8.025 -8.546 1.00 0.01 N ATOM 1272 CA SER A 81 -9.860 7.119 -9.685 1.00 0.01 C ATOM 1273 C SER A 81 -9.054 5.924 -9.180 1.00 0.02 C ATOM 1274 O SER A 81 -8.423 5.973 -8.142 1.00 0.01 O ATOM 1275 CB SER A 81 -9.033 7.897 -10.708 1.00 0.01 C ATOM 1276 OG SER A 81 -8.617 7.016 -11.741 1.00 0.01 O ATOM 0 H SER A 81 -9.617 7.960 -7.724 1.00 0.01 H new ATOM 0 HA SER A 81 -10.776 6.754 -10.150 1.00 0.01 H new ATOM 0 HB2 SER A 81 -9.623 8.713 -11.125 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.165 8.346 -10.225 1.00 0.01 H new ATOM 0 HG SER A 81 -7.764 7.326 -12.112 1.00 0.01 H new ATOM 1282 N CYS A 82 -9.074 4.839 -9.919 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.310 3.623 -9.494 1.00 0.01 C ATOM 1284 C CYS A 82 -7.760 2.889 -10.725 1.00 0.01 C ATOM 1285 O CYS A 82 -8.363 2.887 -11.781 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.235 2.687 -8.715 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.046 3.612 -7.386 1.00 0.02 S ATOM 0 H CYS A 82 -9.586 4.744 -10.796 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.478 3.929 -8.860 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.982 2.258 -9.383 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -8.664 1.857 -8.299 1.00 0.01 H new ATOM 0 HG CYS A 82 -9.389 4.711 -7.159 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.622 2.252 -10.589 1.00 0.01 N ATOM 1294 CA ARG A 83 -6.022 1.499 -11.740 1.00 0.01 C ATOM 1295 C ARG A 83 -5.464 0.163 -11.239 1.00 0.01 C ATOM 1296 O ARG A 83 -4.929 0.065 -10.153 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.855 2.297 -12.334 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.391 3.513 -13.091 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.258 4.149 -13.901 1.00 0.01 C ATOM 1300 NE ARG A 83 -3.679 3.135 -14.828 1.00 0.01 N ATOM 1301 CZ ARG A 83 -2.915 3.513 -15.815 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -2.655 4.781 -15.992 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -2.408 2.624 -16.626 1.00 0.01 N ATOM 0 H ARG A 83 -6.079 2.220 -9.726 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.794 1.339 -12.492 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.181 2.619 -11.540 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.275 1.665 -13.007 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -6.203 3.213 -13.754 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -5.803 4.239 -12.390 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.635 5.001 -14.467 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.486 4.528 -13.231 1.00 0.01 H new ATOM 0 HE ARG A 83 -3.881 2.145 -14.690 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -3.050 5.476 -15.358 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -2.057 5.076 -16.764 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -2.610 1.634 -16.488 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -1.810 2.920 -17.398 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.587 -0.872 -12.029 1.00 0.01 N ATOM 1318 CA ALA A 84 -5.069 -2.203 -11.606 1.00 0.01 C ATOM 1319 C ALA A 84 -3.551 -2.258 -11.819 1.00 0.01 C ATOM 1320 O ALA A 84 -3.042 -1.914 -12.866 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.734 -3.297 -12.445 1.00 0.43 C ATOM 0 H ALA A 84 -6.025 -0.851 -12.950 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.294 -2.358 -10.551 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.356 -4.272 -12.137 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.813 -3.263 -12.298 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.507 -3.136 -13.499 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.833 -2.714 -10.825 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.349 -2.830 -10.945 1.00 0.01 C ATOM 1329 C VAL A 85 -1.000 -4.229 -11.459 1.00 0.01 C ATOM 1330 O VAL A 85 -1.399 -5.221 -10.882 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.698 -2.609 -9.576 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.815 -2.454 -9.750 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.271 -1.340 -8.935 1.00 1.12 C ATOM 0 H VAL A 85 -3.215 -3.013 -9.928 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.978 -2.077 -11.640 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.905 -3.465 -8.934 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.279 -2.297 -8.776 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.223 -3.356 -10.205 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.022 -1.598 -10.393 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.808 -1.183 -7.961 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -1.065 -0.483 -9.577 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.348 -1.450 -8.811 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.259 -4.333 -12.532 1.00 0.01 N ATOM 1344 CA HIS A 86 0.110 -5.682 -13.061 1.00 0.01 C ATOM 1345 C HIS A 86 1.490 -6.074 -12.527 1.00 0.01 C ATOM 1346 O HIS A 86 2.434 -5.313 -12.611 1.00 0.00 O ATOM 1347 CB HIS A 86 0.164 -5.630 -14.589 1.00 0.21 C ATOM 1348 CG HIS A 86 -1.145 -5.114 -15.120 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -1.732 -3.874 -15.067 1.00 1.26 N flip ATOM 1350 CD2 HIS A 86 -2.034 -5.922 -15.813 1.00 1.20 C flip ATOM 1351 CE1 HIS A 86 -2.964 -3.909 -15.714 1.00 1.77 C flip ATOM 1352 NE2 HIS A 86 -3.097 -5.164 -16.145 1.00 1.71 N flip ATOM 0 H HIS A 86 0.107 -3.544 -13.065 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.632 -6.414 -12.742 1.00 0.01 H new ATOM 0 HB2 HIS A 86 0.980 -4.984 -14.913 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.365 -6.623 -14.990 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -1.899 -6.968 -16.044 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -3.662 -3.095 -15.840 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -3.905 -5.508 -16.663 1.00 1.71 H new ATOM 1360 N LEU A 87 1.619 -7.253 -11.980 1.00 0.01 N ATOM 1361 CA LEU A 87 2.940 -7.696 -11.437 1.00 0.01 C ATOM 1362 C LEU A 87 3.669 -8.500 -12.516 1.00 0.01 C ATOM 1363 O LEU A 87 3.070 -9.282 -13.229 1.00 0.01 O ATOM 1364 CB LEU A 87 2.694 -8.583 -10.207 1.00 0.67 C ATOM 1365 CG LEU A 87 1.503 -8.050 -9.409 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.354 -8.862 -8.121 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.737 -6.577 -9.060 1.00 1.34 C ATOM 0 H LEU A 87 0.864 -7.932 -11.885 1.00 0.01 H new ATOM 0 HA LEU A 87 3.545 -6.836 -11.152 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.502 -9.609 -10.521 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.584 -8.603 -9.578 1.00 0.67 H new ATOM 0 HG LEU A 87 0.595 -8.140 -10.006 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.506 -8.485 -7.549 1.00 1.63 H new ATOM 0 HD12 LEU A 87 1.187 -9.910 -8.369 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.262 -8.770 -7.526 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.888 -6.198 -8.491 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.644 -6.484 -8.463 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.846 -5.999 -9.977 1.00 1.34 H new ATOM 1379 N SER A 88 4.966 -8.329 -12.627 1.00 0.01 N ATOM 1380 CA SER A 88 5.766 -9.090 -13.636 1.00 0.01 C ATOM 1381 C SER A 88 6.676 -10.084 -12.912 1.00 0.01 C ATOM 1382 O SER A 88 7.436 -9.690 -12.050 1.00 0.01 O ATOM 1383 CB SER A 88 6.635 -8.126 -14.443 1.00 0.81 C ATOM 1384 OG SER A 88 5.800 -7.277 -15.217 1.00 1.08 O ATOM 0 H SER A 88 5.510 -7.685 -12.052 1.00 0.01 H new ATOM 0 HA SER A 88 5.087 -9.619 -14.305 1.00 0.01 H new ATOM 0 HB2 SER A 88 7.257 -7.532 -13.774 1.00 0.81 H new ATOM 0 HB3 SER A 88 7.309 -8.683 -15.093 1.00 0.81 H new ATOM 0 HG SER A 88 6.354 -6.656 -15.734 1.00 1.08 H new ATOM 1390 N SER A 89 6.669 -11.344 -13.267 1.00 0.01 N ATOM 1391 CA SER A 89 7.605 -12.311 -12.608 1.00 0.01 C ATOM 1392 C SER A 89 8.723 -12.592 -13.613 1.00 0.01 C ATOM 1393 O SER A 89 8.965 -11.780 -14.484 1.00 0.01 O ATOM 1394 CB SER A 89 6.857 -13.605 -12.281 1.00 0.43 C ATOM 1395 OG SER A 89 6.556 -14.289 -13.490 1.00 1.26 O ATOM 0 H SER A 89 6.060 -11.745 -13.980 1.00 0.01 H new ATOM 0 HA SER A 89 8.007 -11.907 -11.679 1.00 0.01 H new ATOM 0 HB2 SER A 89 7.465 -14.237 -11.633 1.00 0.43 H new ATOM 0 HB3 SER A 89 5.939 -13.381 -11.738 1.00 0.43 H new ATOM 0 HG SER A 89 6.078 -15.120 -13.286 1.00 1.26 H new ATOM 1401 N GLY A 90 9.382 -13.726 -13.560 1.00 0.01 N ATOM 1402 CA GLY A 90 10.444 -14.019 -14.580 1.00 0.00 C ATOM 1403 C GLY A 90 11.698 -14.652 -13.967 1.00 0.00 C ATOM 1404 O GLY A 90 12.148 -15.689 -14.413 1.00 0.01 O ATOM 0 H GLY A 90 9.234 -14.456 -12.863 1.00 0.01 H new ATOM 0 HA2 GLY A 90 10.038 -14.689 -15.338 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.720 -13.094 -15.086 1.00 0.00 H new ATOM 1408 N GLY A 91 12.280 -14.060 -12.955 1.00 0.00 N ATOM 1409 CA GLY A 91 13.498 -14.686 -12.369 1.00 0.00 C ATOM 1410 C GLY A 91 14.066 -13.865 -11.207 1.00 0.00 C ATOM 1411 O GLY A 91 13.565 -13.933 -10.103 1.00 0.01 O ATOM 0 H GLY A 91 11.972 -13.191 -12.519 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.257 -15.690 -12.019 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.258 -14.792 -13.143 1.00 0.00 H new ATOM 1415 N GLN A 92 15.119 -13.112 -11.430 1.00 1.80 N ATOM 1416 CA GLN A 92 15.737 -12.307 -10.317 1.00 2.31 C ATOM 1417 C GLN A 92 15.746 -10.816 -10.665 1.00 1.91 C ATOM 1418 O GLN A 92 16.338 -10.387 -11.636 1.00 2.31 O ATOM 1419 CB GLN A 92 17.165 -12.803 -10.086 1.00 2.11 C ATOM 1420 CG GLN A 92 17.698 -12.231 -8.772 1.00 2.86 C ATOM 1421 CD GLN A 92 19.146 -12.677 -8.570 1.00 3.70 C ATOM 1422 OE1 GLN A 92 19.904 -12.759 -9.514 1.00 3.99 O ATOM 1423 NE2 GLN A 92 19.564 -12.972 -7.371 1.00 4.43 N ATOM 0 H GLN A 92 15.580 -13.018 -12.335 1.00 1.80 H new ATOM 0 HA GLN A 92 15.147 -12.435 -9.409 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.182 -13.892 -10.054 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.805 -12.498 -10.914 1.00 2.11 H new ATOM 0 HG2 GLN A 92 17.641 -11.143 -8.787 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.082 -12.571 -7.939 1.00 2.86 H new ATOM 0 HE21 GLN A 92 18.927 -12.903 -6.577 1.00 4.43 H new ATOM 0 HE22 GLN A 92 20.528 -13.272 -7.226 1.00 4.43 H new ATOM 1432 N ALA A 93 15.077 -10.032 -9.861 1.00 0.01 N ATOM 1433 CA ALA A 93 15.027 -8.564 -10.124 1.00 0.01 C ATOM 1434 C ALA A 93 16.337 -7.917 -9.642 1.00 0.01 C ATOM 1435 O ALA A 93 16.780 -8.145 -8.534 1.00 0.01 O ATOM 1436 CB ALA A 93 13.836 -7.949 -9.376 1.00 2.99 C ATOM 0 H ALA A 93 14.565 -10.344 -9.036 1.00 0.01 H new ATOM 0 HA ALA A 93 14.908 -8.386 -11.193 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.800 -6.877 -9.568 1.00 2.99 H new ATOM 0 HB2 ALA A 93 12.911 -8.411 -9.722 1.00 2.99 H new ATOM 0 HB3 ALA A 93 13.950 -8.122 -8.306 1.00 2.99 H new ATOM 1442 N LYS A 94 16.959 -7.119 -10.476 1.00 0.00 N ATOM 1443 CA LYS A 94 18.249 -6.451 -10.097 1.00 0.01 C ATOM 1444 C LYS A 94 18.145 -4.951 -10.395 1.00 0.01 C ATOM 1445 O LYS A 94 17.556 -4.555 -11.381 1.00 0.01 O ATOM 1446 CB LYS A 94 19.369 -7.073 -10.937 1.00 2.49 C ATOM 1447 CG LYS A 94 20.727 -6.703 -10.341 1.00 3.43 C ATOM 1448 CD LYS A 94 21.839 -7.041 -11.342 1.00 4.11 C ATOM 1449 CE LYS A 94 21.716 -8.502 -11.785 1.00 5.23 C ATOM 1450 NZ LYS A 94 20.666 -8.616 -12.836 1.00 6.36 N ATOM 0 H LYS A 94 16.626 -6.898 -11.414 1.00 0.00 H new ATOM 0 HA LYS A 94 18.458 -6.587 -9.036 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.257 -8.157 -10.965 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.304 -6.719 -11.966 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.752 -5.640 -10.100 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.886 -7.245 -9.409 1.00 3.43 H new ATOM 0 HD2 LYS A 94 21.773 -6.383 -12.208 1.00 4.11 H new ATOM 0 HD3 LYS A 94 22.814 -6.871 -10.886 1.00 4.11 H new ATOM 0 HE2 LYS A 94 22.671 -8.858 -12.170 1.00 5.23 H new ATOM 0 HE3 LYS A 94 21.462 -9.132 -10.932 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 19.828 -9.086 -12.439 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 20.405 -7.666 -13.170 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 21.032 -9.175 -13.633 1.00 6.36 H new ATOM 1464 N ILE A 95 18.699 -4.110 -9.542 1.00 0.00 N ATOM 1465 CA ILE A 95 18.611 -2.625 -9.772 1.00 0.01 C ATOM 1466 C ILE A 95 20.004 -1.988 -9.701 1.00 0.01 C ATOM 1467 O ILE A 95 20.847 -2.374 -8.912 1.00 0.01 O ATOM 1468 CB ILE A 95 17.705 -2.011 -8.695 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.851 -0.483 -8.686 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.100 -2.561 -7.325 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.687 0.139 -7.911 1.00 1.09 C ATOM 0 H ILE A 95 19.205 -4.387 -8.701 1.00 0.00 H new ATOM 0 HA ILE A 95 18.197 -2.437 -10.762 1.00 0.01 H new ATOM 0 HB ILE A 95 16.669 -2.270 -8.916 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.799 -0.201 -8.227 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.866 -0.103 -9.707 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.458 -2.126 -6.559 1.00 0.36 H new ATOM 0 HG22 ILE A 95 17.986 -3.645 -7.321 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.139 -2.305 -7.116 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.792 1.224 -7.905 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.746 -0.132 -8.389 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.693 -0.231 -6.886 1.00 1.09 H new ATOM 1483 N GLN A 96 20.220 -0.969 -10.503 1.00 0.01 N ATOM 1484 CA GLN A 96 21.515 -0.221 -10.487 1.00 0.01 C ATOM 1485 C GLN A 96 21.191 1.251 -10.192 1.00 0.01 C ATOM 1486 O GLN A 96 20.304 1.816 -10.803 1.00 0.00 O ATOM 1487 CB GLN A 96 22.218 -0.341 -11.847 1.00 0.53 C ATOM 1488 CG GLN A 96 21.190 -0.252 -12.987 1.00 0.82 C ATOM 1489 CD GLN A 96 20.579 -1.633 -13.255 1.00 1.25 C ATOM 1490 OE1 GLN A 96 19.659 -2.048 -12.579 1.00 1.75 O ATOM 1491 NE2 GLN A 96 21.057 -2.365 -14.223 1.00 2.05 N ATOM 0 H GLN A 96 19.540 -0.621 -11.178 1.00 0.01 H new ATOM 0 HA GLN A 96 22.182 -0.631 -9.728 1.00 0.01 H new ATOM 0 HB2 GLN A 96 22.958 0.452 -11.953 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.755 -1.288 -11.905 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.405 0.457 -12.724 1.00 0.82 H new ATOM 0 HG3 GLN A 96 21.669 0.124 -13.891 1.00 0.82 H new ATOM 0 HE21 GLN A 96 21.829 -2.018 -14.791 1.00 2.05 H new ATOM 0 HE22 GLN A 96 20.658 -3.285 -14.412 1.00 2.05 H new ATOM 1500 N VAL A 97 21.883 1.889 -9.275 1.00 0.01 N ATOM 1501 CA VAL A 97 21.587 3.331 -8.962 1.00 0.01 C ATOM 1502 C VAL A 97 22.861 4.167 -9.120 1.00 0.01 C ATOM 1503 O VAL A 97 23.959 3.700 -8.883 1.00 0.01 O ATOM 1504 CB VAL A 97 21.072 3.444 -7.523 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.909 2.472 -7.322 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.198 3.100 -6.543 1.00 1.03 C ATOM 0 H VAL A 97 22.639 1.476 -8.729 1.00 0.01 H new ATOM 0 HA VAL A 97 20.828 3.702 -9.650 1.00 0.01 H new ATOM 0 HB VAL A 97 20.733 4.464 -7.340 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.541 2.551 -6.299 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.105 2.718 -8.016 1.00 1.10 H new ATOM 0 HG13 VAL A 97 20.250 1.453 -7.507 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.828 3.181 -5.521 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.540 2.081 -6.725 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.028 3.792 -6.685 1.00 1.03 H new ATOM 1516 N PHE A 98 22.714 5.402 -9.552 1.00 0.01 N ATOM 1517 CA PHE A 98 23.906 6.290 -9.768 1.00 0.01 C ATOM 1518 C PHE A 98 23.833 7.539 -8.883 1.00 0.01 C ATOM 1519 O PHE A 98 22.782 8.109 -8.656 1.00 0.01 O ATOM 1520 CB PHE A 98 23.945 6.713 -11.237 1.00 0.25 C ATOM 1521 CG PHE A 98 24.220 5.506 -12.104 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.182 4.617 -12.417 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.509 5.274 -12.601 1.00 0.58 C ATOM 1524 CE1 PHE A 98 23.434 3.502 -13.224 1.00 0.56 C ATOM 1525 CE2 PHE A 98 25.761 4.159 -13.408 1.00 0.73 C ATOM 1526 CZ PHE A 98 24.724 3.272 -13.720 1.00 0.69 C ATOM 0 H PHE A 98 21.815 5.834 -9.765 1.00 0.01 H new ATOM 0 HA PHE A 98 24.807 5.737 -9.504 1.00 0.01 H new ATOM 0 HB2 PHE A 98 22.996 7.168 -11.520 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.718 7.466 -11.389 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.187 4.793 -12.035 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.310 5.957 -12.361 1.00 0.58 H new ATOM 0 HE1 PHE A 98 22.633 2.818 -13.465 1.00 0.56 H new ATOM 0 HE2 PHE A 98 26.756 3.983 -13.790 1.00 0.73 H new ATOM 0 HZ PHE A 98 24.918 2.411 -14.343 1.00 0.69 H new ATOM 1536 N GLU A 99 24.963 7.939 -8.362 1.00 0.01 N ATOM 1537 CA GLU A 99 25.013 9.125 -7.457 1.00 0.01 C ATOM 1538 C GLU A 99 24.660 10.417 -8.208 1.00 0.01 C ATOM 1539 O GLU A 99 24.127 11.342 -7.626 1.00 0.01 O ATOM 1540 CB GLU A 99 26.419 9.254 -6.862 1.00 0.01 C ATOM 1541 CG GLU A 99 26.513 10.533 -6.023 1.00 0.01 C ATOM 1542 CD GLU A 99 27.747 10.463 -5.121 1.00 0.01 C ATOM 1543 OE1 GLU A 99 28.837 10.316 -5.650 1.00 0.01 O ATOM 1544 OE2 GLU A 99 27.580 10.556 -3.917 1.00 0.02 O ATOM 0 H GLU A 99 25.864 7.489 -8.527 1.00 0.01 H new ATOM 0 HA GLU A 99 24.279 8.978 -6.664 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.643 8.385 -6.243 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.161 9.277 -7.660 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.575 11.404 -6.675 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.614 10.651 -5.418 1.00 0.01 H new ATOM 1551 N LYS A 100 24.955 10.498 -9.488 1.00 0.01 N ATOM 1552 CA LYS A 100 24.638 11.746 -10.267 1.00 0.01 C ATOM 1553 C LYS A 100 23.627 11.443 -11.375 1.00 0.01 C ATOM 1554 O LYS A 100 23.301 10.303 -11.647 1.00 0.01 O ATOM 1555 CB LYS A 100 25.917 12.315 -10.888 1.00 0.94 C ATOM 1556 CG LYS A 100 26.942 12.587 -9.786 1.00 1.63 C ATOM 1557 CD LYS A 100 28.293 12.924 -10.417 1.00 2.19 C ATOM 1558 CE LYS A 100 29.249 13.434 -9.336 1.00 2.84 C ATOM 1559 NZ LYS A 100 28.719 14.707 -8.767 1.00 3.18 N ATOM 0 H LYS A 100 25.401 9.756 -10.027 1.00 0.01 H new ATOM 0 HA LYS A 100 24.208 12.478 -9.584 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.326 11.612 -11.614 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.694 13.236 -11.427 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.606 13.412 -9.158 1.00 1.63 H new ATOM 0 HG3 LYS A 100 27.038 11.714 -9.141 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.711 12.041 -10.900 1.00 2.19 H new ATOM 0 HD3 LYS A 100 28.166 13.681 -11.191 1.00 2.19 H new ATOM 0 HE2 LYS A 100 29.357 12.688 -8.549 1.00 2.84 H new ATOM 0 HE3 LYS A 100 30.240 13.597 -9.759 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 29.506 15.273 -8.390 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 28.232 15.244 -9.513 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 28.049 14.492 -8.001 1.00 3.18 H new ATOM 1573 N GLY A 101 23.124 12.469 -12.001 1.00 0.01 N ATOM 1574 CA GLY A 101 22.118 12.286 -13.086 1.00 0.01 C ATOM 1575 C GLY A 101 22.763 11.658 -14.326 1.00 0.00 C ATOM 1576 O GLY A 101 23.973 11.563 -14.448 1.00 0.01 O ATOM 0 H GLY A 101 23.370 13.439 -11.805 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.306 11.651 -12.732 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.679 13.249 -13.347 1.00 0.01 H new ATOM 1580 N ASP A 102 21.934 11.253 -15.256 1.00 0.01 N ATOM 1581 CA ASP A 102 22.419 10.657 -16.535 1.00 0.00 C ATOM 1582 C ASP A 102 23.378 9.500 -16.285 1.00 0.00 C ATOM 1583 O ASP A 102 24.341 9.306 -17.000 1.00 0.01 O ATOM 1584 CB ASP A 102 23.122 11.738 -17.357 1.00 0.01 C ATOM 1585 CG ASP A 102 23.504 11.172 -18.726 1.00 0.01 C ATOM 1586 OD1 ASP A 102 22.651 11.156 -19.596 1.00 0.01 O ATOM 1587 OD2 ASP A 102 24.643 10.764 -18.880 1.00 0.01 O ATOM 0 H ASP A 102 20.919 11.313 -15.178 1.00 0.01 H new ATOM 0 HA ASP A 102 21.559 10.267 -17.079 1.00 0.00 H new ATOM 0 HB2 ASP A 102 22.467 12.601 -17.478 1.00 0.01 H new ATOM 0 HB3 ASP A 102 24.013 12.085 -16.834 1.00 0.01 H new ATOM 1592 N PHE A 103 23.097 8.707 -15.294 1.00 0.01 N ATOM 1593 CA PHE A 103 23.951 7.528 -15.001 1.00 0.01 C ATOM 1594 C PHE A 103 25.420 7.936 -14.883 1.00 0.00 C ATOM 1595 O PHE A 103 26.292 7.312 -15.456 1.00 0.01 O ATOM 1596 CB PHE A 103 23.799 6.506 -16.127 1.00 0.01 C ATOM 1597 CG PHE A 103 22.338 6.346 -16.473 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.526 5.501 -15.707 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.797 7.040 -17.563 1.00 0.01 C ATOM 1600 CE1 PHE A 103 20.171 5.351 -16.031 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.444 6.888 -17.886 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.631 6.045 -17.120 1.00 0.01 C ATOM 0 H PHE A 103 22.302 8.827 -14.667 1.00 0.01 H new ATOM 0 HA PHE A 103 23.634 7.094 -14.053 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.357 6.831 -17.005 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.217 5.547 -15.820 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.944 4.965 -14.867 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.424 7.692 -18.154 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.543 4.700 -15.441 1.00 0.01 H new ATOM 0 HE2 PHE A 103 20.027 7.422 -18.727 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.586 5.930 -17.369 1.00 0.01 H new ATOM 1612 N ASN A 104 25.702 8.960 -14.119 1.00 0.00 N ATOM 1613 CA ASN A 104 27.117 9.406 -13.914 1.00 0.01 C ATOM 1614 C ASN A 104 27.410 9.393 -12.411 1.00 0.01 C ATOM 1615 O ASN A 104 26.511 9.293 -11.597 1.00 0.01 O ATOM 1616 CB ASN A 104 27.299 10.830 -14.448 1.00 1.68 C ATOM 1617 CG ASN A 104 27.303 10.806 -15.977 1.00 2.31 C ATOM 1618 OD1 ASN A 104 26.753 9.906 -16.583 1.00 3.15 O ATOM 1619 ND2 ASN A 104 27.901 11.763 -16.631 1.00 2.38 N ATOM 0 H ASN A 104 25.005 9.514 -13.622 1.00 0.00 H new ATOM 0 HA ASN A 104 27.796 8.739 -14.445 1.00 0.01 H new ATOM 0 HB2 ASN A 104 26.495 11.471 -14.086 1.00 1.68 H new ATOM 0 HB3 ASN A 104 28.234 11.252 -14.078 1.00 1.68 H new ATOM 0 HD21 ASN A 104 27.908 11.757 -17.651 1.00 2.38 H new ATOM 0 HD22 ASN A 104 28.362 12.517 -16.122 1.00 2.38 H new ATOM 1626 N GLY A 105 28.657 9.468 -12.029 1.00 0.01 N ATOM 1627 CA GLY A 105 28.995 9.445 -10.572 1.00 0.01 C ATOM 1628 C GLY A 105 29.269 8.006 -10.140 1.00 0.01 C ATOM 1629 O GLY A 105 29.459 7.129 -10.961 1.00 0.01 O ATOM 0 H GLY A 105 29.456 9.544 -12.659 1.00 0.01 H new ATOM 0 HA2 GLY A 105 29.869 10.067 -10.380 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.173 9.861 -9.990 1.00 0.01 H new ATOM 1633 N GLN A 106 29.272 7.744 -8.864 1.00 0.01 N ATOM 1634 CA GLN A 106 29.513 6.353 -8.395 1.00 0.01 C ATOM 1635 C GLN A 106 28.236 5.538 -8.603 1.00 0.01 C ATOM 1636 O GLN A 106 27.136 6.037 -8.470 1.00 0.01 O ATOM 1637 CB GLN A 106 29.874 6.376 -6.908 1.00 0.01 C ATOM 1638 CG GLN A 106 30.420 5.008 -6.494 1.00 0.01 C ATOM 1639 CD GLN A 106 30.915 5.073 -5.048 1.00 0.01 C ATOM 1640 OE1 GLN A 106 30.390 5.819 -4.247 1.00 0.01 O ATOM 1641 NE2 GLN A 106 31.913 4.317 -4.679 1.00 0.01 N ATOM 0 H GLN A 106 29.118 8.432 -8.127 1.00 0.01 H new ATOM 0 HA GLN A 106 30.333 5.904 -8.955 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.617 7.150 -6.715 1.00 0.01 H new ATOM 0 HB3 GLN A 106 28.995 6.624 -6.313 1.00 0.01 H new ATOM 0 HG2 GLN A 106 29.643 4.250 -6.590 1.00 0.01 H new ATOM 0 HG3 GLN A 106 31.235 4.714 -7.156 1.00 0.01 H new ATOM 0 HE21 GLN A 106 32.354 3.690 -5.352 1.00 0.01 H new ATOM 0 HE22 GLN A 106 32.252 4.353 -3.718 1.00 0.01 H new ATOM 1650 N MET A 107 28.388 4.282 -8.943 1.00 0.01 N ATOM 1651 CA MET A 107 27.199 3.402 -9.182 1.00 0.01 C ATOM 1652 C MET A 107 27.177 2.264 -8.160 1.00 0.01 C ATOM 1653 O MET A 107 28.197 1.711 -7.800 1.00 0.01 O ATOM 1654 CB MET A 107 27.288 2.805 -10.589 1.00 0.00 C ATOM 1655 CG MET A 107 25.956 2.137 -10.948 1.00 0.01 C ATOM 1656 SD MET A 107 26.189 1.062 -12.385 1.00 0.01 S ATOM 1657 CE MET A 107 26.692 -0.422 -11.480 1.00 0.01 C ATOM 0 H MET A 107 29.291 3.824 -9.066 1.00 0.01 H new ATOM 0 HA MET A 107 26.290 3.995 -9.083 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.522 3.586 -11.313 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.097 2.076 -10.635 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.588 1.557 -10.102 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.204 2.895 -11.166 1.00 0.01 H new ATOM 0 HE1 MET A 107 26.890 -1.229 -12.186 1.00 0.01 H new ATOM 0 HE2 MET A 107 27.595 -0.210 -10.908 1.00 0.01 H new ATOM 0 HE3 MET A 107 25.894 -0.722 -10.801 1.00 0.01 H new ATOM 1667 N TYR A 108 26.002 1.901 -7.711 1.00 0.01 N ATOM 1668 CA TYR A 108 25.852 0.783 -6.730 1.00 0.00 C ATOM 1669 C TYR A 108 24.756 -0.159 -7.242 1.00 0.01 C ATOM 1670 O TYR A 108 23.729 0.272 -7.727 1.00 0.01 O ATOM 1671 CB TYR A 108 25.446 1.344 -5.365 1.00 0.54 C ATOM 1672 CG TYR A 108 26.638 2.006 -4.718 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.553 1.241 -3.985 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.830 3.387 -4.851 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.659 1.856 -3.387 1.00 1.76 C ATOM 1676 CE2 TYR A 108 27.935 4.002 -4.253 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.850 3.236 -3.520 1.00 1.82 C ATOM 1678 OH TYR A 108 29.942 3.839 -2.929 1.00 2.48 O ATOM 0 H TYR A 108 25.124 2.341 -7.988 1.00 0.01 H new ATOM 0 HA TYR A 108 26.795 0.247 -6.625 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.636 2.064 -5.482 1.00 0.54 H new ATOM 0 HB3 TYR A 108 25.071 0.543 -4.728 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.405 0.176 -3.881 1.00 1.24 H new ATOM 0 HD2 TYR A 108 26.124 3.978 -5.416 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.365 1.265 -2.823 1.00 1.76 H new ATOM 0 HE2 TYR A 108 28.082 5.067 -4.357 1.00 1.51 H new ATOM 0 HH TYR A 108 29.845 4.813 -2.980 1.00 2.48 H new ATOM 1688 N GLU A 109 24.988 -1.444 -7.165 1.00 0.01 N ATOM 1689 CA GLU A 109 23.992 -2.446 -7.674 1.00 0.01 C ATOM 1690 C GLU A 109 23.517 -3.335 -6.524 1.00 0.01 C ATOM 1691 O GLU A 109 24.305 -3.816 -5.734 1.00 0.01 O ATOM 1692 CB GLU A 109 24.687 -3.293 -8.742 1.00 0.01 C ATOM 1693 CG GLU A 109 23.642 -4.062 -9.555 1.00 0.01 C ATOM 1694 CD GLU A 109 24.329 -4.781 -10.719 1.00 0.00 C ATOM 1695 OE1 GLU A 109 25.418 -5.290 -10.514 1.00 0.00 O ATOM 1696 OE2 GLU A 109 23.752 -4.812 -11.794 1.00 0.00 O ATOM 0 H GLU A 109 25.834 -1.851 -6.767 1.00 0.01 H new ATOM 0 HA GLU A 109 23.123 -1.942 -8.097 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.275 -2.654 -9.400 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.381 -3.990 -8.272 1.00 0.01 H new ATOM 0 HG2 GLU A 109 23.130 -4.784 -8.919 1.00 0.01 H new ATOM 0 HG3 GLU A 109 22.884 -3.377 -9.934 1.00 0.01 H new ATOM 1703 N THR A 110 22.225 -3.555 -6.416 1.00 0.01 N ATOM 1704 CA THR A 110 21.710 -4.412 -5.305 1.00 0.00 C ATOM 1705 C THR A 110 20.451 -5.174 -5.738 1.00 0.01 C ATOM 1706 O THR A 110 19.675 -4.727 -6.565 1.00 0.01 O ATOM 1707 CB THR A 110 21.373 -3.542 -4.092 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.776 -4.348 -3.086 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.402 -2.436 -4.506 1.00 1.69 C ATOM 0 H THR A 110 21.514 -3.181 -7.044 1.00 0.01 H new ATOM 0 HA THR A 110 22.487 -5.131 -5.045 1.00 0.00 H new ATOM 0 HB THR A 110 22.286 -3.091 -3.704 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.561 -3.793 -2.307 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.164 -1.818 -3.640 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.862 -1.818 -5.277 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.487 -2.882 -4.896 1.00 1.69 H new ATOM 1717 N THR A 111 20.268 -6.336 -5.165 1.00 0.00 N ATOM 1718 CA THR A 111 19.085 -7.196 -5.490 1.00 0.01 C ATOM 1719 C THR A 111 18.125 -7.250 -4.293 1.00 0.01 C ATOM 1720 O THR A 111 17.216 -8.055 -4.268 1.00 0.01 O ATOM 1721 CB THR A 111 19.565 -8.617 -5.815 1.00 0.01 C ATOM 1722 OG1 THR A 111 19.614 -9.381 -4.619 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.963 -8.566 -6.439 1.00 0.01 C ATOM 0 H THR A 111 20.901 -6.735 -4.471 1.00 0.00 H new ATOM 0 HA THR A 111 18.563 -6.773 -6.348 1.00 0.01 H new ATOM 0 HB THR A 111 18.873 -9.077 -6.521 1.00 0.01 H new ATOM 0 HG1 THR A 111 19.919 -10.290 -4.824 1.00 0.01 H new ATOM 0 HG21 THR A 111 21.297 -9.578 -6.667 1.00 0.01 H new ATOM 0 HG22 THR A 111 20.930 -7.979 -7.357 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.658 -8.104 -5.738 1.00 0.01 H new ATOM 1731 N GLU A 112 18.336 -6.428 -3.287 1.00 0.01 N ATOM 1732 CA GLU A 112 17.449 -6.467 -2.070 1.00 0.01 C ATOM 1733 C GLU A 112 16.770 -5.115 -1.813 1.00 0.01 C ATOM 1734 O GLU A 112 17.185 -4.086 -2.310 1.00 0.01 O ATOM 1735 CB GLU A 112 18.306 -6.823 -0.853 1.00 0.85 C ATOM 1736 CG GLU A 112 18.885 -8.227 -1.032 1.00 1.61 C ATOM 1737 CD GLU A 112 19.798 -8.559 0.150 1.00 2.51 C ATOM 1738 OE1 GLU A 112 19.368 -8.367 1.276 1.00 3.07 O ATOM 1739 OE2 GLU A 112 20.909 -9.000 -0.092 1.00 3.21 O ATOM 0 H GLU A 112 19.082 -5.733 -3.254 1.00 0.01 H new ATOM 0 HA GLU A 112 16.670 -7.210 -2.241 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.111 -6.098 -0.737 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.704 -6.779 0.055 1.00 0.85 H new ATOM 0 HG2 GLU A 112 18.079 -8.958 -1.099 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.446 -8.284 -1.965 1.00 1.61 H new ATOM 1746 N ASP A 113 15.735 -5.123 -1.008 1.00 0.01 N ATOM 1747 CA ASP A 113 15.019 -3.857 -0.663 1.00 0.01 C ATOM 1748 C ASP A 113 15.952 -2.997 0.191 1.00 0.00 C ATOM 1749 O ASP A 113 16.846 -3.505 0.839 1.00 0.01 O ATOM 1750 CB ASP A 113 13.764 -4.187 0.149 1.00 0.01 C ATOM 1751 CG ASP A 113 14.109 -5.209 1.232 1.00 0.01 C ATOM 1752 OD1 ASP A 113 15.288 -5.416 1.469 1.00 0.00 O ATOM 1753 OD2 ASP A 113 13.188 -5.768 1.807 1.00 0.00 O ATOM 0 H ASP A 113 15.353 -5.962 -0.571 1.00 0.01 H new ATOM 0 HA ASP A 113 14.734 -3.327 -1.572 1.00 0.01 H new ATOM 0 HB2 ASP A 113 13.364 -3.281 0.604 1.00 0.01 H new ATOM 0 HB3 ASP A 113 12.988 -4.584 -0.506 1.00 0.01 H new ATOM 1758 N CYS A 114 15.730 -1.700 0.224 1.00 0.01 N ATOM 1759 CA CYS A 114 16.583 -0.801 1.071 1.00 0.01 C ATOM 1760 C CYS A 114 15.674 0.027 2.007 1.00 0.01 C ATOM 1761 O CYS A 114 14.945 0.882 1.531 1.00 0.01 O ATOM 1762 CB CYS A 114 17.350 0.161 0.168 1.00 0.01 C ATOM 1763 SG CYS A 114 18.553 -0.767 -0.814 1.00 0.01 S ATOM 0 H CYS A 114 14.994 -1.226 -0.300 1.00 0.01 H new ATOM 0 HA CYS A 114 17.278 -1.404 1.656 1.00 0.01 H new ATOM 0 HB2 CYS A 114 16.659 0.690 -0.488 1.00 0.01 H new ATOM 0 HB3 CYS A 114 17.859 0.914 0.769 1.00 0.01 H new ATOM 0 HG CYS A 114 19.591 -1.042 -0.082 1.00 0.01 H new ATOM 1769 N PRO A 115 15.709 -0.175 3.319 1.00 0.01 N ATOM 1770 CA PRO A 115 14.856 0.642 4.230 1.00 0.01 C ATOM 1771 C PRO A 115 15.430 2.054 4.403 1.00 0.01 C ATOM 1772 O PRO A 115 14.699 3.006 4.604 1.00 0.01 O ATOM 1773 CB PRO A 115 14.912 -0.159 5.542 1.00 0.01 C ATOM 1774 CG PRO A 115 16.118 -1.112 5.460 1.00 0.01 C ATOM 1775 CD PRO A 115 16.560 -1.207 3.987 1.00 0.01 C ATOM 0 HA PRO A 115 13.841 0.795 3.863 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.013 0.512 6.395 1.00 0.01 H new ATOM 0 HB3 PRO A 115 13.990 -0.722 5.686 1.00 0.01 H new ATOM 0 HG2 PRO A 115 16.936 -0.743 6.079 1.00 0.01 H new ATOM 0 HG3 PRO A 115 15.850 -2.098 5.840 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.622 -0.994 3.869 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.387 -2.202 3.576 1.00 0.01 H new ATOM 1783 N SER A 116 16.729 2.195 4.331 1.00 0.01 N ATOM 1784 CA SER A 116 17.360 3.539 4.487 1.00 0.02 C ATOM 1785 C SER A 116 18.535 3.640 3.511 1.00 0.01 C ATOM 1786 O SER A 116 19.567 3.018 3.682 1.00 0.00 O ATOM 1787 CB SER A 116 17.858 3.705 5.922 1.00 0.01 C ATOM 1788 OG SER A 116 16.745 3.897 6.785 1.00 0.01 O ATOM 0 H SER A 116 17.384 1.430 4.170 1.00 0.01 H new ATOM 0 HA SER A 116 16.634 4.324 4.274 1.00 0.02 H new ATOM 0 HB2 SER A 116 18.422 2.824 6.228 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.535 4.556 5.988 1.00 0.01 H new ATOM 0 HG SER A 116 17.060 4.002 7.707 1.00 0.01 H new ATOM 1794 N ILE A 117 18.357 4.399 2.467 1.00 0.01 N ATOM 1795 CA ILE A 117 19.419 4.537 1.432 1.00 0.01 C ATOM 1796 C ILE A 117 20.662 5.218 2.003 1.00 0.01 C ATOM 1797 O ILE A 117 21.771 4.874 1.645 1.00 0.00 O ATOM 1798 CB ILE A 117 18.854 5.352 0.270 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.696 4.564 -0.347 1.00 1.44 C ATOM 1800 CG2 ILE A 117 19.936 5.591 -0.789 1.00 0.93 C ATOM 1801 CD1 ILE A 117 16.908 5.452 -1.304 1.00 1.83 C ATOM 0 H ILE A 117 17.510 4.937 2.284 1.00 0.01 H new ATOM 0 HA ILE A 117 19.720 3.547 1.088 1.00 0.01 H new ATOM 0 HB ILE A 117 18.508 6.320 0.632 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.081 3.694 -0.879 1.00 1.44 H new ATOM 0 HG13 ILE A 117 17.040 4.192 0.440 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.519 6.173 -1.611 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.767 6.137 -0.343 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.293 4.633 -1.167 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.087 4.881 -1.737 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.508 6.308 -0.760 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.565 5.803 -2.100 1.00 1.83 H new ATOM 1813 N MET A 118 20.499 6.193 2.855 1.00 0.02 N ATOM 1814 CA MET A 118 21.700 6.886 3.398 1.00 0.01 C ATOM 1815 C MET A 118 22.486 5.933 4.295 1.00 0.01 C ATOM 1816 O MET A 118 23.697 5.946 4.310 1.00 0.02 O ATOM 1817 CB MET A 118 21.286 8.128 4.191 1.00 0.24 C ATOM 1818 CG MET A 118 22.531 8.820 4.744 1.00 0.63 C ATOM 1819 SD MET A 118 22.083 10.462 5.360 1.00 1.20 S ATOM 1820 CE MET A 118 23.750 10.997 5.818 1.00 1.34 C ATOM 0 H MET A 118 19.600 6.535 3.194 1.00 0.02 H new ATOM 0 HA MET A 118 22.331 7.198 2.566 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.731 8.813 3.550 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.621 7.846 5.007 1.00 0.24 H new ATOM 0 HG2 MET A 118 22.965 8.224 5.547 1.00 0.63 H new ATOM 0 HG3 MET A 118 23.289 8.906 3.965 1.00 0.63 H new ATOM 0 HE1 MET A 118 23.708 12.005 6.229 1.00 1.34 H new ATOM 0 HE2 MET A 118 24.158 10.317 6.566 1.00 1.34 H new ATOM 0 HE3 MET A 118 24.389 10.992 4.935 1.00 1.34 H new ATOM 1830 N GLU A 119 21.827 5.102 5.043 1.00 0.01 N ATOM 1831 CA GLU A 119 22.576 4.171 5.923 1.00 0.02 C ATOM 1832 C GLU A 119 23.295 3.122 5.072 1.00 0.02 C ATOM 1833 O GLU A 119 24.385 2.690 5.391 1.00 0.01 O ATOM 1834 CB GLU A 119 21.599 3.474 6.873 1.00 0.30 C ATOM 1835 CG GLU A 119 21.105 4.474 7.919 1.00 0.99 C ATOM 1836 CD GLU A 119 20.210 3.754 8.929 1.00 1.69 C ATOM 1837 OE1 GLU A 119 19.396 2.952 8.503 1.00 2.07 O ATOM 1838 OE2 GLU A 119 20.352 4.018 10.112 1.00 2.11 O ATOM 0 H GLU A 119 20.811 5.026 5.084 1.00 0.01 H new ATOM 0 HA GLU A 119 23.311 4.732 6.500 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.755 3.071 6.313 1.00 0.30 H new ATOM 0 HB3 GLU A 119 22.089 2.632 7.362 1.00 0.30 H new ATOM 0 HG2 GLU A 119 21.953 4.932 8.429 1.00 0.99 H new ATOM 0 HG3 GLU A 119 20.552 5.279 7.435 1.00 0.99 H new ATOM 1845 N GLN A 120 22.664 2.668 4.025 1.00 0.00 N ATOM 1846 CA GLN A 120 23.279 1.596 3.188 1.00 0.01 C ATOM 1847 C GLN A 120 24.329 2.147 2.213 1.00 0.01 C ATOM 1848 O GLN A 120 25.391 1.575 2.058 1.00 0.01 O ATOM 1849 CB GLN A 120 22.177 0.891 2.396 1.00 0.52 C ATOM 1850 CG GLN A 120 22.795 -0.184 1.501 1.00 1.07 C ATOM 1851 CD GLN A 120 21.689 -1.075 0.935 1.00 1.08 C ATOM 1852 OE1 GLN A 120 20.448 -0.849 1.273 1.00 0.98 O flip ATOM 1853 NE2 GLN A 120 21.957 -1.989 0.180 1.00 2.08 N flip ATOM 0 H GLN A 120 21.749 2.992 3.711 1.00 0.00 H new ATOM 0 HA GLN A 120 23.786 0.900 3.857 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.457 0.440 3.078 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.632 1.614 1.789 1.00 0.52 H new ATOM 0 HG2 GLN A 120 23.353 0.281 0.689 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.504 -0.784 2.072 1.00 1.07 H new ATOM 0 HE21 GLN A 120 22.926 -2.165 -0.084 1.00 2.08 H new ATOM 0 HE22 GLN A 120 21.212 -2.580 -0.190 1.00 2.08 H new ATOM 1862 N PHE A 121 24.014 3.208 1.506 1.00 0.02 N ATOM 1863 CA PHE A 121 24.967 3.746 0.473 1.00 0.01 C ATOM 1864 C PHE A 121 25.566 5.097 0.870 1.00 0.01 C ATOM 1865 O PHE A 121 26.353 5.664 0.138 1.00 0.01 O ATOM 1866 CB PHE A 121 24.221 3.905 -0.851 1.00 0.01 C ATOM 1867 CG PHE A 121 23.474 2.631 -1.167 1.00 0.01 C ATOM 1868 CD1 PHE A 121 22.203 2.412 -0.624 1.00 0.01 C ATOM 1869 CD2 PHE A 121 24.051 1.671 -2.008 1.00 0.01 C ATOM 1870 CE1 PHE A 121 21.508 1.233 -0.919 1.00 0.01 C ATOM 1871 CE2 PHE A 121 23.356 0.492 -2.303 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.084 0.273 -1.757 1.00 0.01 C ATOM 0 H PHE A 121 23.140 3.726 1.597 1.00 0.02 H new ATOM 0 HA PHE A 121 25.790 3.037 0.384 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.525 4.741 -0.790 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.925 4.134 -1.651 1.00 0.01 H new ATOM 0 HD1 PHE A 121 21.758 3.153 0.023 1.00 0.01 H new ATOM 0 HD2 PHE A 121 25.031 1.840 -2.429 1.00 0.01 H new ATOM 0 HE1 PHE A 121 20.527 1.065 -0.499 1.00 0.01 H new ATOM 0 HE2 PHE A 121 23.800 -0.249 -2.951 1.00 0.01 H new ATOM 0 HZ PHE A 121 21.549 -0.637 -1.983 1.00 0.01 H new ATOM 1882 N HIS A 122 25.206 5.629 2.002 1.00 0.01 N ATOM 1883 CA HIS A 122 25.766 6.948 2.407 1.00 0.01 C ATOM 1884 C HIS A 122 25.398 8.005 1.361 1.00 0.01 C ATOM 1885 O HIS A 122 26.150 8.925 1.106 1.00 0.02 O ATOM 1886 CB HIS A 122 27.289 6.834 2.537 1.00 0.01 C ATOM 1887 CG HIS A 122 27.643 5.510 3.157 1.00 0.01 C ATOM 1888 ND1 HIS A 122 28.656 4.705 2.657 1.00 0.01 N ATOM 1889 CD2 HIS A 122 27.127 4.836 4.235 1.00 0.01 C ATOM 1890 CE1 HIS A 122 28.716 3.604 3.427 1.00 0.00 C ATOM 1891 NE2 HIS A 122 27.806 3.633 4.404 1.00 0.01 N ATOM 0 H HIS A 122 24.551 5.211 2.663 1.00 0.01 H new ATOM 0 HA HIS A 122 25.349 7.247 3.369 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.756 6.925 1.556 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.674 7.649 3.150 1.00 0.01 H new ATOM 0 HD2 HIS A 122 26.317 5.186 4.858 1.00 0.01 H new ATOM 0 HE1 HIS A 122 29.415 2.795 3.274 1.00 0.00 H new ATOM 0 HE2 HIS A 122 27.643 2.925 5.120 1.00 0.01 H new ATOM 1899 N LEU A 123 24.239 7.874 0.754 1.00 0.01 N ATOM 1900 CA LEU A 123 23.799 8.867 -0.286 1.00 0.01 C ATOM 1901 C LEU A 123 22.600 9.652 0.257 1.00 0.02 C ATOM 1902 O LEU A 123 21.689 9.092 0.833 1.00 0.01 O ATOM 1903 CB LEU A 123 23.377 8.116 -1.565 1.00 0.01 C ATOM 1904 CG LEU A 123 24.609 7.812 -2.445 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.301 6.640 -3.384 1.00 0.01 C ATOM 1906 CD2 LEU A 123 24.963 9.035 -3.303 1.00 0.01 C ATOM 0 H LEU A 123 23.576 7.120 0.934 1.00 0.01 H new ATOM 0 HA LEU A 123 24.618 9.548 -0.518 1.00 0.01 H new ATOM 0 HB2 LEU A 123 22.875 7.186 -1.299 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.661 8.716 -2.126 1.00 0.01 H new ATOM 0 HG LEU A 123 25.445 7.563 -1.791 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.174 6.430 -4.002 1.00 0.01 H new ATOM 0 HD12 LEU A 123 24.053 5.757 -2.795 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.457 6.898 -4.023 1.00 0.01 H new ATOM 0 HD21 LEU A 123 25.833 8.808 -3.919 1.00 0.01 H new ATOM 0 HD22 LEU A 123 24.119 9.285 -3.946 1.00 0.01 H new ATOM 0 HD23 LEU A 123 25.189 9.882 -2.654 1.00 0.01 H new ATOM 1918 N ARG A 124 22.597 10.950 0.081 1.00 0.01 N ATOM 1919 CA ARG A 124 21.463 11.777 0.590 1.00 0.00 C ATOM 1920 C ARG A 124 20.391 11.947 -0.494 1.00 0.01 C ATOM 1921 O ARG A 124 19.244 12.226 -0.205 1.00 0.01 O ATOM 1922 CB ARG A 124 21.983 13.156 0.997 1.00 1.67 C ATOM 1923 CG ARG A 124 22.841 13.027 2.257 1.00 1.98 C ATOM 1924 CD ARG A 124 23.389 14.400 2.646 1.00 2.92 C ATOM 1925 NE ARG A 124 22.269 15.272 3.100 1.00 3.54 N ATOM 1926 CZ ARG A 124 22.523 16.370 3.756 1.00 4.57 C ATOM 1927 NH1 ARG A 124 23.759 16.705 4.015 1.00 5.25 N ATOM 1928 NH2 ARG A 124 21.543 17.131 4.157 1.00 5.32 N ATOM 0 H ARG A 124 23.333 11.472 -0.394 1.00 0.01 H new ATOM 0 HA ARG A 124 21.022 11.272 1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.570 13.588 0.187 1.00 1.67 H new ATOM 0 HB3 ARG A 124 21.148 13.832 1.181 1.00 1.67 H new ATOM 0 HG2 ARG A 124 22.247 12.617 3.073 1.00 1.98 H new ATOM 0 HG3 ARG A 124 23.663 12.333 2.080 1.00 1.98 H new ATOM 0 HD2 ARG A 124 24.128 14.297 3.440 1.00 2.92 H new ATOM 0 HD3 ARG A 124 23.896 14.855 1.795 1.00 2.92 H new ATOM 0 HE ARG A 124 21.304 15.010 2.898 1.00 3.54 H new ATOM 0 HH11 ARG A 124 24.525 16.108 3.704 1.00 5.25 H new ATOM 0 HH12 ARG A 124 23.958 17.564 4.528 1.00 5.25 H new ATOM 0 HH21 ARG A 124 20.578 16.867 3.958 1.00 5.32 H new ATOM 0 HH22 ARG A 124 21.741 17.990 4.670 1.00 5.32 H new ATOM 1942 N GLU A 125 20.760 11.804 -1.745 1.00 0.01 N ATOM 1943 CA GLU A 125 19.771 11.983 -2.855 1.00 0.01 C ATOM 1944 C GLU A 125 20.145 11.082 -4.038 1.00 0.01 C ATOM 1945 O GLU A 125 21.260 10.609 -4.140 1.00 0.01 O ATOM 1946 CB GLU A 125 19.799 13.439 -3.326 1.00 0.01 C ATOM 1947 CG GLU A 125 19.174 14.337 -2.255 1.00 0.01 C ATOM 1948 CD GLU A 125 19.012 15.754 -2.808 1.00 0.02 C ATOM 1949 OE1 GLU A 125 18.286 15.911 -3.775 1.00 0.02 O ATOM 1950 OE2 GLU A 125 19.618 16.658 -2.255 1.00 0.01 O ATOM 0 H GLU A 125 21.706 11.570 -2.046 1.00 0.01 H new ATOM 0 HA GLU A 125 18.778 11.720 -2.491 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.826 13.749 -3.521 1.00 0.01 H new ATOM 0 HB3 GLU A 125 19.252 13.539 -4.264 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.205 13.940 -1.953 1.00 0.01 H new ATOM 0 HG3 GLU A 125 19.804 14.352 -1.365 1.00 0.01 H new ATOM 1957 N ILE A 126 19.225 10.868 -4.951 1.00 0.01 N ATOM 1958 CA ILE A 126 19.521 10.027 -6.160 1.00 0.01 C ATOM 1959 C ILE A 126 19.015 10.784 -7.393 1.00 0.01 C ATOM 1960 O ILE A 126 17.896 11.259 -7.413 1.00 0.01 O ATOM 1961 CB ILE A 126 18.806 8.674 -6.040 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.572 7.810 -5.031 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.782 7.969 -7.406 1.00 2.17 C ATOM 1964 CD1 ILE A 126 18.810 6.511 -4.772 1.00 1.70 C ATOM 0 H ILE A 126 18.277 11.241 -4.911 1.00 0.01 H new ATOM 0 HA ILE A 126 20.592 9.841 -6.245 1.00 0.01 H new ATOM 0 HB ILE A 126 17.780 8.826 -5.706 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.568 7.587 -5.413 1.00 1.49 H new ATOM 0 HG13 ILE A 126 19.703 8.357 -4.097 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.273 7.010 -7.312 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.253 8.591 -8.127 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.804 7.805 -7.749 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.361 5.903 -4.054 1.00 1.70 H new ATOM 0 HD12 ILE A 126 17.823 6.742 -4.370 1.00 1.70 H new ATOM 0 HD13 ILE A 126 18.702 5.960 -5.706 1.00 1.70 H new ATOM 1976 N HIS A 127 19.843 10.938 -8.405 1.00 0.01 N ATOM 1977 CA HIS A 127 19.416 11.715 -9.618 1.00 0.01 C ATOM 1978 C HIS A 127 19.191 10.818 -10.838 1.00 0.01 C ATOM 1979 O HIS A 127 18.617 11.238 -11.824 1.00 0.01 O ATOM 1980 CB HIS A 127 20.478 12.766 -9.952 1.00 0.02 C ATOM 1981 CG HIS A 127 20.923 13.448 -8.688 1.00 0.01 C ATOM 1982 ND1 HIS A 127 21.778 12.839 -7.781 1.00 0.01 N ATOM 1983 CD2 HIS A 127 20.645 14.688 -8.165 1.00 0.01 C ATOM 1984 CE1 HIS A 127 21.981 13.704 -6.771 1.00 0.01 C ATOM 1985 NE2 HIS A 127 21.314 14.846 -6.955 1.00 0.02 N ATOM 0 H HIS A 127 20.790 10.562 -8.443 1.00 0.01 H new ATOM 0 HA HIS A 127 18.465 12.192 -9.380 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.330 12.295 -10.443 1.00 0.02 H new ATOM 0 HB3 HIS A 127 20.073 13.499 -10.650 1.00 0.02 H new ATOM 0 HD1 HIS A 127 22.180 11.905 -7.865 1.00 0.01 H new ATOM 0 HD2 HIS A 127 20.005 15.427 -8.623 1.00 0.01 H new ATOM 0 HE1 HIS A 127 22.607 13.500 -5.915 1.00 0.01 H new ATOM 1993 N SER A 128 19.608 9.579 -10.784 1.00 0.01 N ATOM 1994 CA SER A 128 19.381 8.664 -11.939 1.00 0.01 C ATOM 1995 C SER A 128 19.472 7.214 -11.459 1.00 0.01 C ATOM 1996 O SER A 128 20.167 6.906 -10.507 1.00 0.01 O ATOM 1997 CB SER A 128 20.448 8.916 -13.006 1.00 0.01 C ATOM 1998 OG SER A 128 20.563 7.767 -13.833 1.00 0.01 O ATOM 0 H SER A 128 20.095 9.163 -9.990 1.00 0.01 H new ATOM 0 HA SER A 128 18.394 8.848 -12.363 1.00 0.01 H new ATOM 0 HB2 SER A 128 20.180 9.785 -13.606 1.00 0.01 H new ATOM 0 HB3 SER A 128 21.406 9.137 -12.535 1.00 0.01 H new ATOM 0 HG SER A 128 20.357 8.009 -14.760 1.00 0.01 H new ATOM 2004 N CYS A 129 18.778 6.315 -12.103 1.00 0.01 N ATOM 2005 CA CYS A 129 18.823 4.888 -11.676 1.00 0.01 C ATOM 2006 C CYS A 129 18.211 4.012 -12.773 1.00 0.00 C ATOM 2007 O CYS A 129 17.337 4.448 -13.498 1.00 0.01 O ATOM 2008 CB CYS A 129 18.033 4.712 -10.378 1.00 0.69 C ATOM 2009 SG CYS A 129 16.304 5.167 -10.657 1.00 1.22 S ATOM 0 H CYS A 129 18.181 6.508 -12.907 1.00 0.01 H new ATOM 0 HA CYS A 129 19.858 4.592 -11.507 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.098 3.678 -10.038 1.00 0.69 H new ATOM 0 HB3 CYS A 129 18.461 5.334 -9.592 1.00 0.69 H new ATOM 0 HG CYS A 129 16.026 5.061 -11.923 1.00 1.22 H new ATOM 2015 N LYS A 130 18.665 2.784 -12.910 1.00 0.01 N ATOM 2016 CA LYS A 130 18.111 1.881 -13.975 1.00 0.01 C ATOM 2017 C LYS A 130 17.490 0.636 -13.318 1.00 0.01 C ATOM 2018 O LYS A 130 18.167 -0.230 -12.797 1.00 0.01 O ATOM 2019 CB LYS A 130 19.263 1.470 -14.934 1.00 0.55 C ATOM 2020 CG LYS A 130 18.905 1.780 -16.399 1.00 0.80 C ATOM 2021 CD LYS A 130 17.838 0.797 -16.886 1.00 0.29 C ATOM 2022 CE LYS A 130 17.383 1.194 -18.292 1.00 0.33 C ATOM 2023 NZ LYS A 130 18.465 0.884 -19.269 1.00 1.41 N ATOM 0 H LYS A 130 19.395 2.369 -12.330 1.00 0.01 H new ATOM 0 HA LYS A 130 17.338 2.398 -14.543 1.00 0.01 H new ATOM 0 HB2 LYS A 130 20.175 2.000 -14.660 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.468 0.405 -14.825 1.00 0.55 H new ATOM 0 HG2 LYS A 130 18.538 2.803 -16.486 1.00 0.80 H new ATOM 0 HG3 LYS A 130 19.794 1.706 -17.025 1.00 0.80 H new ATOM 0 HD2 LYS A 130 18.239 -0.217 -16.894 1.00 0.29 H new ATOM 0 HD3 LYS A 130 16.988 0.798 -16.203 1.00 0.29 H new ATOM 0 HE2 LYS A 130 16.473 0.655 -18.557 1.00 0.33 H new ATOM 0 HE3 LYS A 130 17.144 2.257 -18.322 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 18.105 1.009 -20.237 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 19.268 1.526 -19.113 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 18.778 -0.100 -19.140 1.00 1.41 H new ATOM 2037 N VAL A 131 16.189 0.565 -13.355 1.00 0.01 N ATOM 2038 CA VAL A 131 15.437 -0.588 -12.774 1.00 0.01 C ATOM 2039 C VAL A 131 14.745 -1.319 -13.926 1.00 0.01 C ATOM 2040 O VAL A 131 14.015 -0.707 -14.680 1.00 0.01 O ATOM 2041 CB VAL A 131 14.388 -0.058 -11.782 1.00 0.01 C ATOM 2042 CG1 VAL A 131 13.982 -1.174 -10.815 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.985 1.111 -10.991 1.00 0.01 C ATOM 0 H VAL A 131 15.596 1.280 -13.777 1.00 0.01 H new ATOM 0 HA VAL A 131 16.107 -1.266 -12.246 1.00 0.01 H new ATOM 0 HB VAL A 131 13.509 0.281 -12.330 1.00 0.01 H new ATOM 0 HG11 VAL A 131 13.239 -0.795 -10.114 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.559 -2.007 -11.377 1.00 0.01 H new ATOM 0 HG13 VAL A 131 14.859 -1.516 -10.265 1.00 0.01 H new ATOM 0 HG21 VAL A 131 14.244 1.490 -10.287 1.00 0.01 H new ATOM 0 HG22 VAL A 131 15.864 0.769 -10.445 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.272 1.907 -11.679 1.00 0.01 H new ATOM 2053 N VAL A 132 14.912 -2.618 -14.059 1.00 0.01 N ATOM 2054 CA VAL A 132 14.208 -3.357 -15.138 1.00 0.01 C ATOM 2055 C VAL A 132 13.543 -4.569 -14.500 1.00 0.00 C ATOM 2056 O VAL A 132 14.116 -5.631 -14.359 1.00 0.01 O ATOM 2057 CB VAL A 132 15.220 -3.821 -16.187 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.476 -4.347 -17.415 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.103 -2.640 -16.597 1.00 1.98 C ATOM 0 H VAL A 132 15.508 -3.190 -13.461 1.00 0.01 H new ATOM 0 HA VAL A 132 13.469 -2.720 -15.624 1.00 0.01 H new ATOM 0 HB VAL A 132 15.840 -4.614 -15.769 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.197 -4.678 -18.163 1.00 1.00 H new ATOM 0 HG12 VAL A 132 13.843 -5.186 -17.125 1.00 1.00 H new ATOM 0 HG13 VAL A 132 13.857 -3.553 -17.833 1.00 1.00 H new ATOM 0 HG21 VAL A 132 16.825 -2.968 -17.345 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.481 -1.849 -17.016 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.632 -2.261 -15.723 1.00 1.98 H new ATOM 2069 N GLU A 133 12.316 -4.393 -14.170 1.00 0.01 N ATOM 2070 CA GLU A 133 11.481 -5.480 -13.581 1.00 0.01 C ATOM 2071 C GLU A 133 10.063 -5.249 -14.092 1.00 0.01 C ATOM 2072 O GLU A 133 9.574 -5.952 -14.952 1.00 0.01 O ATOM 2073 CB GLU A 133 11.512 -5.395 -12.052 1.00 0.00 C ATOM 2074 CG GLU A 133 10.924 -6.679 -11.458 1.00 0.00 C ATOM 2075 CD GLU A 133 10.624 -6.463 -9.973 1.00 0.00 C ATOM 2076 OE1 GLU A 133 9.903 -5.528 -9.664 1.00 0.00 O ATOM 2077 OE2 GLU A 133 11.118 -7.236 -9.169 1.00 0.00 O ATOM 0 H GLU A 133 11.824 -3.507 -14.284 1.00 0.01 H new ATOM 0 HA GLU A 133 11.850 -6.466 -13.864 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.536 -5.257 -11.705 1.00 0.00 H new ATOM 0 HB3 GLU A 133 10.941 -4.530 -11.713 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.012 -6.953 -11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.625 -7.504 -11.582 1.00 0.00 H new ATOM 2084 N GLY A 134 9.400 -4.265 -13.555 1.00 0.01 N ATOM 2085 CA GLY A 134 8.009 -3.971 -13.979 1.00 0.01 C ATOM 2086 C GLY A 134 7.393 -2.985 -12.988 1.00 0.01 C ATOM 2087 O GLY A 134 7.085 -1.862 -13.330 1.00 0.01 O ATOM 0 H GLY A 134 9.769 -3.646 -12.833 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.001 -3.551 -14.985 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.422 -4.889 -14.013 1.00 0.01 H new ATOM 2091 N THR A 135 7.208 -3.403 -11.756 1.00 0.01 N ATOM 2092 CA THR A 135 6.609 -2.498 -10.719 1.00 0.01 C ATOM 2093 C THR A 135 7.556 -2.354 -9.519 1.00 0.01 C ATOM 2094 O THR A 135 7.806 -3.298 -8.794 1.00 0.01 O ATOM 2095 CB THR A 135 5.282 -3.090 -10.251 1.00 1.43 C ATOM 2096 OG1 THR A 135 5.534 -4.128 -9.317 1.00 1.92 O ATOM 2097 CG2 THR A 135 4.518 -3.654 -11.450 1.00 2.30 C ATOM 0 H THR A 135 7.447 -4.337 -11.422 1.00 0.01 H new ATOM 0 HA THR A 135 6.448 -1.512 -11.156 1.00 0.01 H new ATOM 0 HB THR A 135 4.684 -2.311 -9.778 1.00 1.43 H new ATOM 0 HG1 THR A 135 6.483 -4.373 -9.348 1.00 1.92 H new ATOM 0 HG21 THR A 135 3.571 -4.076 -11.112 1.00 2.30 H new ATOM 0 HG22 THR A 135 4.325 -2.856 -12.166 1.00 2.30 H new ATOM 0 HG23 THR A 135 5.113 -4.433 -11.927 1.00 2.30 H new ATOM 2105 N TRP A 136 8.059 -1.165 -9.290 1.00 0.01 N ATOM 2106 CA TRP A 136 8.970 -0.909 -8.121 1.00 0.01 C ATOM 2107 C TRP A 136 8.386 0.268 -7.337 1.00 0.01 C ATOM 2108 O TRP A 136 7.784 1.147 -7.924 1.00 0.00 O ATOM 2109 CB TRP A 136 10.383 -0.568 -8.625 1.00 0.01 C ATOM 2110 CG TRP A 136 11.161 -1.830 -8.830 1.00 0.01 C ATOM 2111 CD1 TRP A 136 10.838 -2.813 -9.701 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.378 -2.263 -8.159 1.00 0.01 C ATOM 2113 NE1 TRP A 136 11.779 -3.822 -9.605 1.00 0.00 N ATOM 2114 CE2 TRP A 136 12.748 -3.529 -8.670 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.188 -1.686 -7.167 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 13.882 -4.198 -8.210 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.330 -2.358 -6.704 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.674 -3.610 -7.225 1.00 0.01 C ATOM 0 H TRP A 136 7.876 -0.346 -9.870 1.00 0.01 H new ATOM 0 HA TRP A 136 9.044 -1.791 -7.484 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.322 -0.011 -9.560 1.00 0.01 H new ATOM 0 HB3 TRP A 136 10.892 0.072 -7.905 1.00 0.01 H new ATOM 0 HD1 TRP A 136 9.985 -2.810 -10.363 1.00 0.01 H new ATOM 0 HE1 TRP A 136 11.758 -4.678 -10.159 1.00 0.00 H new ATOM 0 HE3 TRP A 136 12.931 -0.720 -6.758 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.145 -5.165 -8.614 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 14.947 -1.906 -5.941 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.554 -4.121 -6.864 1.00 0.01 H new ATOM 2129 N ILE A 137 8.547 0.328 -6.023 1.00 0.01 N ATOM 2130 CA ILE A 137 7.979 1.487 -5.254 1.00 0.00 C ATOM 2131 C ILE A 137 9.094 2.238 -4.523 1.00 0.01 C ATOM 2132 O ILE A 137 9.947 1.656 -3.879 1.00 0.01 O ATOM 2133 CB ILE A 137 6.986 0.977 -4.202 1.00 0.60 C ATOM 2134 CG1 ILE A 137 6.025 -0.035 -4.824 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.184 2.156 -3.646 1.00 1.37 C ATOM 2136 CD1 ILE A 137 4.994 -0.459 -3.771 1.00 1.69 C ATOM 0 H ILE A 137 9.040 -0.367 -5.463 1.00 0.01 H new ATOM 0 HA ILE A 137 7.481 2.151 -5.960 1.00 0.00 H new ATOM 0 HB ILE A 137 7.542 0.492 -3.399 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.523 0.404 -5.687 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.575 -0.905 -5.183 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.478 1.795 -2.898 1.00 1.37 H new ATOM 0 HG22 ILE A 137 6.864 2.874 -3.187 1.00 1.37 H new ATOM 0 HG23 ILE A 137 5.639 2.640 -4.456 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.304 -1.181 -4.207 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.506 -0.913 -2.923 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.438 0.416 -3.434 1.00 1.69 H new ATOM 2148 N PHE A 138 9.064 3.538 -4.608 1.00 0.01 N ATOM 2149 CA PHE A 138 10.077 4.393 -3.918 1.00 0.01 C ATOM 2150 C PHE A 138 9.342 5.203 -2.858 1.00 0.01 C ATOM 2151 O PHE A 138 8.222 5.615 -3.072 1.00 0.00 O ATOM 2152 CB PHE A 138 10.715 5.331 -4.937 1.00 1.11 C ATOM 2153 CG PHE A 138 11.673 4.546 -5.798 1.00 1.11 C ATOM 2154 CD1 PHE A 138 12.969 4.298 -5.341 1.00 1.46 C ATOM 2155 CD2 PHE A 138 11.266 4.062 -7.045 1.00 1.54 C ATOM 2156 CE1 PHE A 138 13.864 3.566 -6.130 1.00 2.01 C ATOM 2157 CE2 PHE A 138 12.159 3.330 -7.836 1.00 2.35 C ATOM 2158 CZ PHE A 138 13.458 3.081 -7.378 1.00 2.49 C ATOM 0 H PHE A 138 8.365 4.058 -5.138 1.00 0.01 H new ATOM 0 HA PHE A 138 10.859 3.787 -3.461 1.00 0.01 H new ATOM 0 HB2 PHE A 138 9.946 5.793 -5.556 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.242 6.138 -4.427 1.00 1.11 H new ATOM 0 HD1 PHE A 138 13.281 4.672 -4.377 1.00 1.46 H new ATOM 0 HD2 PHE A 138 10.263 4.253 -7.398 1.00 1.54 H new ATOM 0 HE1 PHE A 138 14.866 3.376 -5.776 1.00 2.01 H new ATOM 0 HE2 PHE A 138 11.846 2.957 -8.800 1.00 2.35 H new ATOM 0 HZ PHE A 138 14.147 2.515 -7.988 1.00 2.49 H new ATOM 2168 N TYR A 139 9.955 5.445 -1.719 1.00 0.01 N ATOM 2169 CA TYR A 139 9.284 6.243 -0.643 1.00 0.01 C ATOM 2170 C TYR A 139 10.158 7.446 -0.269 1.00 0.01 C ATOM 2171 O TYR A 139 11.374 7.387 -0.340 1.00 0.01 O ATOM 2172 CB TYR A 139 9.068 5.359 0.585 1.00 0.01 C ATOM 2173 CG TYR A 139 8.451 4.047 0.152 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.236 3.089 -0.502 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.099 3.785 0.407 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.671 1.872 -0.900 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.534 2.566 0.008 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.319 1.610 -0.646 1.00 0.02 C ATOM 2179 OH TYR A 139 6.762 0.410 -1.036 1.00 0.00 O ATOM 0 H TYR A 139 10.895 5.122 -1.490 1.00 0.01 H new ATOM 0 HA TYR A 139 8.320 6.602 -1.005 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.017 5.179 1.090 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.417 5.862 1.300 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.279 3.290 -0.699 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.492 4.522 0.911 1.00 0.01 H new ATOM 0 HE1 TYR A 139 9.278 1.134 -1.403 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.492 2.364 0.206 1.00 0.02 H new ATOM 0 HH TYR A 139 5.816 0.391 -0.783 1.00 0.00 H new ATOM 2189 N GLU A 140 9.544 8.555 0.052 1.00 0.01 N ATOM 2190 CA GLU A 140 10.318 9.797 0.352 1.00 0.02 C ATOM 2191 C GLU A 140 10.937 9.765 1.756 1.00 0.01 C ATOM 2192 O GLU A 140 11.948 10.397 1.985 1.00 0.01 O ATOM 2193 CB GLU A 140 9.344 10.972 0.265 1.00 0.01 C ATOM 2194 CG GLU A 140 10.128 12.284 0.238 1.00 0.02 C ATOM 2195 CD GLU A 140 10.822 12.437 -1.116 1.00 0.02 C ATOM 2196 OE1 GLU A 140 10.125 12.443 -2.118 1.00 0.01 O ATOM 2197 OE2 GLU A 140 12.036 12.548 -1.128 1.00 0.02 O ATOM 0 H GLU A 140 8.531 8.654 0.120 1.00 0.01 H new ATOM 0 HA GLU A 140 11.136 9.888 -0.363 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.731 10.884 -0.632 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.665 10.959 1.118 1.00 0.01 H new ATOM 0 HG2 GLU A 140 9.456 13.125 0.411 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.866 12.295 1.040 1.00 0.02 H new ATOM 2204 N LEU A 141 10.352 9.066 2.706 1.00 0.01 N ATOM 2205 CA LEU A 141 10.930 9.044 4.094 1.00 0.02 C ATOM 2206 C LEU A 141 11.406 7.614 4.421 1.00 0.01 C ATOM 2207 O LEU A 141 10.862 6.655 3.903 1.00 0.01 O ATOM 2208 CB LEU A 141 9.820 9.449 5.080 1.00 0.57 C ATOM 2209 CG LEU A 141 9.226 10.804 4.670 1.00 0.81 C ATOM 2210 CD1 LEU A 141 7.980 11.082 5.514 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.257 11.923 4.893 1.00 1.24 C ATOM 0 H LEU A 141 9.504 8.513 2.582 1.00 0.01 H new ATOM 0 HA LEU A 141 11.773 9.731 4.168 1.00 0.02 H new ATOM 0 HB2 LEU A 141 9.039 8.689 5.094 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.224 9.510 6.091 1.00 0.57 H new ATOM 0 HG LEU A 141 8.959 10.775 3.614 1.00 0.81 H new ATOM 0 HD11 LEU A 141 7.553 12.043 5.227 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.245 10.295 5.348 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.253 11.106 6.569 1.00 1.48 H new ATOM 0 HD21 LEU A 141 9.825 12.880 4.599 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.533 11.958 5.947 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.144 11.725 4.292 1.00 1.24 H new ATOM 2223 N PRO A 142 12.403 7.454 5.278 1.00 0.01 N ATOM 2224 CA PRO A 142 12.896 6.092 5.627 1.00 0.01 C ATOM 2225 C PRO A 142 11.773 5.157 6.094 1.00 0.01 C ATOM 2226 O PRO A 142 10.679 5.567 6.423 1.00 0.01 O ATOM 2227 CB PRO A 142 13.908 6.368 6.762 1.00 0.01 C ATOM 2228 CG PRO A 142 13.985 7.891 6.995 1.00 0.02 C ATOM 2229 CD PRO A 142 13.112 8.593 5.939 1.00 0.01 C ATOM 0 HA PRO A 142 13.331 5.577 4.770 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.599 5.861 7.676 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.890 5.976 6.497 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.638 8.138 7.998 1.00 0.02 H new ATOM 0 HG3 PRO A 142 15.017 8.234 6.921 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.413 9.294 6.395 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.715 9.160 5.229 1.00 0.01 H new ATOM 2237 N ASN A 143 12.089 3.892 6.140 1.00 0.01 N ATOM 2238 CA ASN A 143 11.115 2.865 6.603 1.00 0.01 C ATOM 2239 C ASN A 143 9.853 2.859 5.735 1.00 0.01 C ATOM 2240 O ASN A 143 8.776 2.524 6.185 1.00 0.01 O ATOM 2241 CB ASN A 143 10.727 3.158 8.054 1.00 0.23 C ATOM 2242 CG ASN A 143 10.021 1.938 8.650 1.00 0.11 C ATOM 2243 OD1 ASN A 143 8.826 1.963 8.874 1.00 0.75 O ATOM 2244 ND2 ASN A 143 10.713 0.865 8.922 1.00 0.56 N ATOM 0 H ASN A 143 13.000 3.520 5.871 1.00 0.01 H new ATOM 0 HA ASN A 143 11.588 1.886 6.524 1.00 0.01 H new ATOM 0 HB2 ASN A 143 11.616 3.398 8.638 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.072 4.028 8.098 1.00 0.23 H new ATOM 0 HD21 ASN A 143 10.251 0.048 9.322 1.00 0.56 H new ATOM 0 HD22 ASN A 143 11.715 0.843 8.734 1.00 0.56 H new ATOM 2251 N TYR A 144 9.997 3.187 4.479 1.00 0.01 N ATOM 2252 CA TYR A 144 8.834 3.166 3.543 1.00 0.02 C ATOM 2253 C TYR A 144 7.701 4.071 4.042 1.00 0.01 C ATOM 2254 O TYR A 144 6.563 3.652 4.130 1.00 0.01 O ATOM 2255 CB TYR A 144 8.330 1.720 3.409 1.00 0.01 C ATOM 2256 CG TYR A 144 9.510 0.775 3.503 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.544 0.855 2.562 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.579 -0.171 4.537 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.643 -0.008 2.652 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.679 -1.032 4.627 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.711 -0.952 3.684 1.00 0.01 C ATOM 2262 OH TYR A 144 12.796 -1.800 3.772 1.00 0.01 O ATOM 0 H TYR A 144 10.881 3.472 4.056 1.00 0.01 H new ATOM 0 HA TYR A 144 9.157 3.543 2.573 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.607 1.499 4.195 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.816 1.587 2.457 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.494 1.583 1.766 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.783 -0.235 5.264 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.439 0.055 1.925 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.732 -1.759 5.424 1.00 0.01 H new ATOM 0 HH TYR A 144 12.687 -2.392 4.545 1.00 0.01 H new ATOM 2272 N ARG A 145 8.003 5.308 4.361 1.00 0.02 N ATOM 2273 CA ARG A 145 6.938 6.252 4.852 1.00 0.01 C ATOM 2274 C ARG A 145 6.937 7.527 4.001 1.00 0.01 C ATOM 2275 O ARG A 145 7.867 7.795 3.267 1.00 0.01 O ATOM 2276 CB ARG A 145 7.228 6.629 6.306 1.00 0.01 C ATOM 2277 CG ARG A 145 6.944 5.428 7.210 1.00 0.02 C ATOM 2278 CD ARG A 145 7.488 5.705 8.613 1.00 0.01 C ATOM 2279 NE ARG A 145 6.877 6.955 9.145 1.00 0.01 N ATOM 2280 CZ ARG A 145 6.954 7.229 10.418 1.00 0.01 C ATOM 2281 NH1 ARG A 145 7.567 6.406 11.227 1.00 0.02 N ATOM 2282 NH2 ARG A 145 6.420 8.325 10.884 1.00 0.01 N ATOM 0 H ARG A 145 8.940 5.708 4.304 1.00 0.02 H new ATOM 0 HA ARG A 145 5.967 5.763 4.777 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.267 6.940 6.412 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.610 7.476 6.604 1.00 0.01 H new ATOM 0 HG2 ARG A 145 5.871 5.239 7.255 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.409 4.532 6.799 1.00 0.02 H new ATOM 0 HD2 ARG A 145 7.263 4.868 9.274 1.00 0.01 H new ATOM 0 HD3 ARG A 145 8.573 5.803 8.581 1.00 0.01 H new ATOM 0 HE ARG A 145 6.398 7.597 8.513 1.00 0.01 H new ATOM 0 HH11 ARG A 145 7.985 5.550 10.863 1.00 0.02 H new ATOM 0 HH12 ARG A 145 7.627 6.620 12.222 1.00 0.02 H new ATOM 0 HH21 ARG A 145 5.942 8.968 10.253 1.00 0.01 H new ATOM 0 HH22 ARG A 145 6.481 8.539 11.880 1.00 0.01 H new ATOM 2296 N GLY A 146 5.889 8.314 4.081 1.00 0.01 N ATOM 2297 CA GLY A 146 5.816 9.570 3.275 1.00 0.02 C ATOM 2298 C GLY A 146 5.179 9.290 1.911 1.00 0.01 C ATOM 2299 O GLY A 146 4.568 8.260 1.692 1.00 0.02 O ATOM 0 H GLY A 146 5.078 8.137 4.674 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.232 10.320 3.809 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.816 9.982 3.139 1.00 0.02 H new ATOM 2303 N ARG A 147 5.316 10.212 0.997 1.00 0.01 N ATOM 2304 CA ARG A 147 4.722 10.028 -0.359 1.00 0.01 C ATOM 2305 C ARG A 147 5.485 8.928 -1.094 1.00 0.01 C ATOM 2306 O ARG A 147 6.682 8.773 -0.948 1.00 0.01 O ATOM 2307 CB ARG A 147 4.839 11.338 -1.140 1.00 0.01 C ATOM 2308 CG ARG A 147 4.095 11.208 -2.470 1.00 0.01 C ATOM 2309 CD ARG A 147 3.986 12.583 -3.131 1.00 0.01 C ATOM 2310 NE ARG A 147 2.979 13.404 -2.402 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.927 14.694 -2.594 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.754 15.266 -3.426 1.00 0.01 N ATOM 2313 NH2 ARG A 147 2.046 15.414 -1.955 1.00 0.02 N ATOM 0 H ARG A 147 5.817 11.090 1.132 1.00 0.01 H new ATOM 0 HA ARG A 147 3.672 9.748 -0.270 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.423 12.160 -0.557 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.888 11.574 -1.320 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.623 10.517 -3.128 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.101 10.793 -2.304 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.955 13.082 -3.120 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.695 12.474 -4.176 1.00 0.01 H new ATOM 0 HE ARG A 147 2.330 12.958 -1.753 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.442 14.705 -3.928 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.712 16.274 -3.575 1.00 0.01 H new ATOM 0 HH21 ARG A 147 1.398 14.969 -1.305 1.00 0.02 H new ATOM 0 HH22 ARG A 147 2.006 16.422 -2.105 1.00 0.02 H new ATOM 2327 N GLN A 148 4.774 8.136 -1.860 1.00 0.01 N ATOM 2328 CA GLN A 148 5.402 6.999 -2.597 1.00 0.01 C ATOM 2329 C GLN A 148 5.299 7.240 -4.107 1.00 0.01 C ATOM 2330 O GLN A 148 4.360 7.846 -4.587 1.00 0.01 O ATOM 2331 CB GLN A 148 4.627 5.729 -2.231 1.00 0.00 C ATOM 2332 CG GLN A 148 4.279 5.759 -0.740 1.00 0.02 C ATOM 2333 CD GLN A 148 3.869 4.358 -0.281 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.782 3.446 -1.080 1.00 0.02 O ATOM 2335 NE2 GLN A 148 3.612 4.145 0.981 1.00 0.01 N ATOM 0 H GLN A 148 3.769 8.233 -2.007 1.00 0.01 H new ATOM 0 HA GLN A 148 6.454 6.904 -2.329 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.717 5.660 -2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.225 4.846 -2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.136 6.105 -0.163 1.00 0.02 H new ATOM 0 HG3 GLN A 148 3.467 6.464 -0.560 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.685 4.909 1.652 1.00 0.01 H new ATOM 0 HE22 GLN A 148 3.339 3.214 1.296 1.00 0.01 H new ATOM 2344 N TYR A 149 6.258 6.754 -4.855 1.00 0.01 N ATOM 2345 CA TYR A 149 6.245 6.926 -6.344 1.00 0.01 C ATOM 2346 C TYR A 149 6.353 5.552 -7.013 1.00 0.01 C ATOM 2347 O TYR A 149 7.142 4.721 -6.602 1.00 0.01 O ATOM 2348 CB TYR A 149 7.429 7.801 -6.761 1.00 0.01 C ATOM 2349 CG TYR A 149 7.324 9.147 -6.087 1.00 0.01 C ATOM 2350 CD1 TYR A 149 6.615 10.185 -6.703 1.00 0.01 C ATOM 2351 CD2 TYR A 149 7.936 9.358 -4.845 1.00 0.01 C ATOM 2352 CE1 TYR A 149 6.518 11.433 -6.078 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.839 10.606 -4.218 1.00 0.01 C ATOM 2354 CZ TYR A 149 7.131 11.644 -4.834 1.00 0.01 C ATOM 2355 OH TYR A 149 7.034 12.873 -4.215 1.00 0.01 O ATOM 0 H TYR A 149 7.061 6.238 -4.494 1.00 0.01 H new ATOM 0 HA TYR A 149 5.316 7.405 -6.653 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.366 7.317 -6.486 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.439 7.925 -7.844 1.00 0.01 H new ATOM 0 HD1 TYR A 149 6.143 10.022 -7.661 1.00 0.01 H new ATOM 0 HD2 TYR A 149 8.483 8.557 -4.370 1.00 0.01 H new ATOM 0 HE1 TYR A 149 5.971 12.234 -6.553 1.00 0.01 H new ATOM 0 HE2 TYR A 149 8.310 10.767 -3.260 1.00 0.01 H new ATOM 0 HH TYR A 149 7.061 12.753 -3.243 1.00 0.01 H new ATOM 2365 N LEU A 150 5.569 5.284 -8.027 1.00 0.01 N ATOM 2366 CA LEU A 150 5.635 3.944 -8.695 1.00 0.01 C ATOM 2367 C LEU A 150 6.527 4.039 -9.938 1.00 0.01 C ATOM 2368 O LEU A 150 6.254 4.793 -10.852 1.00 0.01 O ATOM 2369 CB LEU A 150 4.208 3.539 -9.103 1.00 0.01 C ATOM 2370 CG LEU A 150 4.132 2.014 -9.337 1.00 0.01 C ATOM 2371 CD1 LEU A 150 3.828 1.294 -8.015 1.00 0.01 C ATOM 2372 CD2 LEU A 150 3.018 1.699 -10.347 1.00 0.01 C ATOM 0 H LEU A 150 4.887 5.932 -8.422 1.00 0.01 H new ATOM 0 HA LEU A 150 6.054 3.200 -8.018 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.503 3.830 -8.324 1.00 0.01 H new ATOM 0 HB3 LEU A 150 3.917 4.068 -10.010 1.00 0.01 H new ATOM 0 HG LEU A 150 5.090 1.670 -9.726 1.00 0.01 H new ATOM 0 HD11 LEU A 150 3.776 0.219 -8.190 1.00 0.01 H new ATOM 0 HD12 LEU A 150 4.618 1.507 -7.295 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.874 1.644 -7.621 1.00 0.01 H new ATOM 0 HD21 LEU A 150 2.968 0.622 -10.509 1.00 0.01 H new ATOM 0 HD22 LEU A 150 2.063 2.052 -9.958 1.00 0.01 H new ATOM 0 HD23 LEU A 150 3.232 2.199 -11.292 1.00 0.01 H new ATOM 2384 N LEU A 151 7.584 3.266 -9.986 1.00 0.01 N ATOM 2385 CA LEU A 151 8.492 3.290 -11.177 1.00 0.01 C ATOM 2386 C LEU A 151 8.169 2.094 -12.074 1.00 0.01 C ATOM 2387 O LEU A 151 7.750 1.052 -11.605 1.00 0.01 O ATOM 2388 CB LEU A 151 9.952 3.208 -10.713 1.00 0.01 C ATOM 2389 CG LEU A 151 10.907 3.341 -11.914 1.00 0.01 C ATOM 2390 CD1 LEU A 151 10.835 4.757 -12.510 1.00 0.01 C ATOM 2391 CD2 LEU A 151 12.339 3.057 -11.450 1.00 0.01 C ATOM 0 H LEU A 151 7.859 2.617 -9.249 1.00 0.01 H new ATOM 0 HA LEU A 151 8.346 4.216 -11.733 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.155 3.998 -9.990 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.126 2.259 -10.206 1.00 0.01 H new ATOM 0 HG LEU A 151 10.611 2.625 -12.681 1.00 0.01 H new ATOM 0 HD11 LEU A 151 11.517 4.830 -13.357 1.00 0.01 H new ATOM 0 HD12 LEU A 151 9.818 4.960 -12.845 1.00 0.01 H new ATOM 0 HD13 LEU A 151 11.119 5.486 -11.751 1.00 0.01 H new ATOM 0 HD21 LEU A 151 13.021 3.149 -12.296 1.00 0.01 H new ATOM 0 HD22 LEU A 151 12.620 3.773 -10.678 1.00 0.01 H new ATOM 0 HD23 LEU A 151 12.397 2.046 -11.046 1.00 0.01 H new ATOM 2403 N ASP A 152 8.377 2.235 -13.359 1.00 0.01 N ATOM 2404 CA ASP A 152 8.094 1.116 -14.310 1.00 0.01 C ATOM 2405 C ASP A 152 9.413 0.471 -14.742 1.00 0.00 C ATOM 2406 O ASP A 152 10.061 -0.208 -13.972 1.00 0.01 O ATOM 2407 CB ASP A 152 7.376 1.672 -15.541 1.00 1.04 C ATOM 2408 CG ASP A 152 6.005 2.211 -15.130 1.00 1.54 C ATOM 2409 OD1 ASP A 152 5.969 3.231 -14.465 1.00 2.27 O ATOM 2410 OD2 ASP A 152 5.016 1.593 -15.485 1.00 1.57 O ATOM 0 H ASP A 152 8.734 3.086 -13.794 1.00 0.01 H new ATOM 0 HA ASP A 152 7.466 0.370 -13.823 1.00 0.01 H new ATOM 0 HB2 ASP A 152 7.970 2.466 -15.994 1.00 1.04 H new ATOM 0 HB3 ASP A 152 7.261 0.891 -16.292 1.00 1.04 H new ATOM 2415 N LYS A 153 9.819 0.671 -15.966 1.00 0.01 N ATOM 2416 CA LYS A 153 11.096 0.061 -16.434 1.00 0.01 C ATOM 2417 C LYS A 153 11.507 0.679 -17.771 1.00 0.01 C ATOM 2418 O LYS A 153 11.728 -0.018 -18.743 1.00 0.01 O ATOM 2419 CB LYS A 153 10.909 -1.449 -16.608 1.00 0.38 C ATOM 2420 CG LYS A 153 9.632 -1.717 -17.405 1.00 0.71 C ATOM 2421 CD LYS A 153 9.585 -3.191 -17.810 1.00 0.72 C ATOM 2422 CE LYS A 153 8.284 -3.474 -18.562 1.00 1.09 C ATOM 2423 NZ LYS A 153 8.340 -2.839 -19.909 1.00 1.84 N ATOM 0 H LYS A 153 9.323 1.229 -16.661 1.00 0.01 H new ATOM 0 HA LYS A 153 11.875 0.250 -15.695 1.00 0.01 H new ATOM 0 HB2 LYS A 153 11.769 -1.875 -17.125 1.00 0.38 H new ATOM 0 HB3 LYS A 153 10.850 -1.933 -15.633 1.00 0.38 H new ATOM 0 HG2 LYS A 153 8.757 -1.465 -16.806 1.00 0.71 H new ATOM 0 HG3 LYS A 153 9.604 -1.084 -18.292 1.00 0.71 H new ATOM 0 HD2 LYS A 153 10.441 -3.433 -18.440 1.00 0.72 H new ATOM 0 HD3 LYS A 153 9.651 -3.824 -16.925 1.00 0.72 H new ATOM 0 HE2 LYS A 153 8.135 -4.549 -18.661 1.00 1.09 H new ATOM 0 HE3 LYS A 153 7.435 -3.085 -18.000 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 7.566 -3.207 -20.499 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 8.241 -1.808 -19.811 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 9.252 -3.058 -20.358 1.00 1.84 H new ATOM 2437 N LYS A 154 11.611 1.986 -17.826 1.00 0.00 N ATOM 2438 CA LYS A 154 12.011 2.676 -19.093 1.00 0.01 C ATOM 2439 C LYS A 154 13.378 3.338 -18.898 1.00 0.01 C ATOM 2440 O LYS A 154 14.067 3.082 -17.930 1.00 0.00 O ATOM 2441 CB LYS A 154 10.975 3.751 -19.431 1.00 0.39 C ATOM 2442 CG LYS A 154 9.583 3.121 -19.484 1.00 0.48 C ATOM 2443 CD LYS A 154 8.559 4.179 -19.900 1.00 0.97 C ATOM 2444 CE LYS A 154 7.162 3.558 -19.924 1.00 1.44 C ATOM 2445 NZ LYS A 154 7.151 2.398 -20.860 1.00 2.28 N ATOM 0 H LYS A 154 11.434 2.610 -17.039 1.00 0.00 H new ATOM 0 HA LYS A 154 12.066 1.950 -19.904 1.00 0.01 H new ATOM 0 HB2 LYS A 154 10.999 4.542 -18.682 1.00 0.39 H new ATOM 0 HB3 LYS A 154 11.214 4.212 -20.389 1.00 0.39 H new ATOM 0 HG2 LYS A 154 9.574 2.293 -20.192 1.00 0.48 H new ATOM 0 HG3 LYS A 154 9.321 2.710 -18.509 1.00 0.48 H new ATOM 0 HD2 LYS A 154 8.584 5.017 -19.204 1.00 0.97 H new ATOM 0 HD3 LYS A 154 8.809 4.575 -20.884 1.00 0.97 H new ATOM 0 HE2 LYS A 154 6.879 3.234 -18.923 1.00 1.44 H new ATOM 0 HE3 LYS A 154 6.428 4.300 -20.238 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 6.174 2.199 -21.154 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 7.726 2.622 -21.697 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 7.546 1.563 -20.382 1.00 2.28 H new ATOM 2459 N GLU A 155 13.770 4.191 -19.810 1.00 0.01 N ATOM 2460 CA GLU A 155 15.091 4.887 -19.692 1.00 0.01 C ATOM 2461 C GLU A 155 14.849 6.344 -19.293 1.00 0.01 C ATOM 2462 O GLU A 155 14.419 7.153 -20.090 1.00 0.01 O ATOM 2463 CB GLU A 155 15.807 4.843 -21.044 1.00 0.01 C ATOM 2464 CG GLU A 155 15.923 3.391 -21.516 1.00 0.01 C ATOM 2465 CD GLU A 155 16.539 3.356 -22.915 1.00 0.01 C ATOM 2466 OE1 GLU A 155 16.421 4.347 -23.616 1.00 0.01 O ATOM 2467 OE2 GLU A 155 17.120 2.340 -23.263 1.00 0.01 O ATOM 0 H GLU A 155 13.228 4.438 -20.638 1.00 0.01 H new ATOM 0 HA GLU A 155 15.706 4.394 -18.939 1.00 0.01 H new ATOM 0 HB2 GLU A 155 15.257 5.432 -21.778 1.00 0.01 H new ATOM 0 HB3 GLU A 155 16.798 5.288 -20.957 1.00 0.01 H new ATOM 0 HG2 GLU A 155 16.539 2.820 -20.822 1.00 0.01 H new ATOM 0 HG3 GLU A 155 14.939 2.922 -21.529 1.00 0.01 H new ATOM 2474 N TYR A 156 15.114 6.681 -18.056 1.00 0.00 N ATOM 2475 CA TYR A 156 14.891 8.083 -17.587 1.00 0.01 C ATOM 2476 C TYR A 156 16.216 8.852 -17.584 1.00 0.01 C ATOM 2477 O TYR A 156 17.138 8.506 -16.872 1.00 0.01 O ATOM 2478 CB TYR A 156 14.303 8.048 -16.174 1.00 0.01 C ATOM 2479 CG TYR A 156 13.135 7.090 -16.139 1.00 0.00 C ATOM 2480 CD1 TYR A 156 13.353 5.730 -15.886 1.00 0.01 C ATOM 2481 CD2 TYR A 156 11.835 7.562 -16.359 1.00 0.01 C ATOM 2482 CE1 TYR A 156 12.271 4.842 -15.853 1.00 0.01 C ATOM 2483 CE2 TYR A 156 10.753 6.673 -16.326 1.00 0.01 C ATOM 2484 CZ TYR A 156 10.970 5.313 -16.073 1.00 0.01 C ATOM 2485 OH TYR A 156 9.905 4.437 -16.040 1.00 0.01 O ATOM 0 H TYR A 156 15.477 6.043 -17.348 1.00 0.00 H new ATOM 0 HA TYR A 156 14.198 8.588 -18.260 1.00 0.01 H new ATOM 0 HB2 TYR A 156 15.065 7.736 -15.459 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.978 9.046 -15.879 1.00 0.01 H new ATOM 0 HD1 TYR A 156 14.356 5.366 -15.716 1.00 0.01 H new ATOM 0 HD2 TYR A 156 11.667 8.611 -16.554 1.00 0.01 H new ATOM 0 HE1 TYR A 156 12.439 3.793 -15.658 1.00 0.01 H new ATOM 0 HE2 TYR A 156 9.750 7.037 -16.496 1.00 0.01 H new ATOM 0 HH TYR A 156 9.073 4.926 -16.211 1.00 0.01 H new ATOM 2495 N ARG A 157 16.337 9.871 -18.395 1.00 0.01 N ATOM 2496 CA ARG A 157 17.625 10.629 -18.456 1.00 0.01 C ATOM 2497 C ARG A 157 17.606 11.814 -17.490 1.00 0.00 C ATOM 2498 O ARG A 157 18.643 12.254 -17.029 1.00 0.01 O ATOM 2499 CB ARG A 157 17.835 11.148 -19.881 1.00 0.01 C ATOM 2500 CG ARG A 157 17.875 9.968 -20.853 1.00 0.01 C ATOM 2501 CD ARG A 157 17.971 10.491 -22.288 1.00 0.00 C ATOM 2502 NE ARG A 157 19.242 11.250 -22.454 1.00 0.01 N ATOM 2503 CZ ARG A 157 19.683 11.531 -23.651 1.00 0.01 C ATOM 2504 NH1 ARG A 157 19.012 11.145 -24.701 1.00 0.01 N ATOM 2505 NH2 ARG A 157 20.797 12.196 -23.798 1.00 0.01 N ATOM 0 H ARG A 157 15.603 10.211 -19.016 1.00 0.01 H new ATOM 0 HA ARG A 157 18.437 9.960 -18.171 1.00 0.01 H new ATOM 0 HB2 ARG A 157 17.030 11.830 -20.153 1.00 0.01 H new ATOM 0 HB3 ARG A 157 18.765 11.713 -19.940 1.00 0.01 H new ATOM 0 HG2 ARG A 157 18.729 9.328 -20.630 1.00 0.01 H new ATOM 0 HG3 ARG A 157 16.980 9.357 -20.737 1.00 0.01 H new ATOM 0 HD2 ARG A 157 17.936 9.660 -22.993 1.00 0.00 H new ATOM 0 HD3 ARG A 157 17.119 11.134 -22.510 1.00 0.00 H new ATOM 0 HE ARG A 157 19.768 11.550 -21.633 1.00 0.01 H new ATOM 0 HH11 ARG A 157 18.143 10.624 -24.587 1.00 0.01 H new ATOM 0 HH12 ARG A 157 19.357 11.365 -25.636 1.00 0.01 H new ATOM 0 HH21 ARG A 157 21.324 12.496 -22.978 1.00 0.01 H new ATOM 0 HH22 ARG A 157 21.141 12.415 -24.733 1.00 0.01 H new ATOM 2519 N LYS A 158 16.445 12.325 -17.155 1.00 0.01 N ATOM 2520 CA LYS A 158 16.358 13.471 -16.193 1.00 0.01 C ATOM 2521 C LYS A 158 15.370 13.087 -15.079 1.00 0.01 C ATOM 2522 O LYS A 158 14.475 12.301 -15.310 1.00 0.01 O ATOM 2523 CB LYS A 158 15.837 14.705 -16.943 1.00 0.58 C ATOM 2524 CG LYS A 158 16.990 15.378 -17.698 1.00 0.97 C ATOM 2525 CD LYS A 158 16.442 16.523 -18.553 1.00 1.44 C ATOM 2526 CE LYS A 158 17.603 17.276 -19.205 1.00 2.13 C ATOM 2527 NZ LYS A 158 18.351 18.031 -18.161 1.00 2.54 N ATOM 0 H LYS A 158 15.547 11.995 -17.509 1.00 0.01 H new ATOM 0 HA LYS A 158 17.335 13.694 -15.764 1.00 0.01 H new ATOM 0 HB2 LYS A 158 15.053 14.413 -17.642 1.00 0.58 H new ATOM 0 HB3 LYS A 158 15.391 15.408 -16.240 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.728 15.759 -16.992 1.00 0.97 H new ATOM 0 HG3 LYS A 158 17.499 14.650 -18.330 1.00 0.97 H new ATOM 0 HD2 LYS A 158 15.773 16.131 -19.319 1.00 1.44 H new ATOM 0 HD3 LYS A 158 15.855 17.203 -17.936 1.00 1.44 H new ATOM 0 HE2 LYS A 158 18.268 16.575 -19.709 1.00 2.13 H new ATOM 0 HE3 LYS A 158 17.226 17.961 -19.965 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 18.931 18.767 -18.613 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 17.678 18.475 -17.504 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 18.968 17.379 -17.636 1.00 2.54 H new ATOM 2541 N PRO A 159 15.488 13.638 -13.890 1.00 0.01 N ATOM 2542 CA PRO A 159 14.520 13.301 -12.812 1.00 0.02 C ATOM 2543 C PRO A 159 13.090 13.649 -13.247 1.00 0.01 C ATOM 2544 O PRO A 159 12.159 12.915 -12.983 1.00 0.01 O ATOM 2545 CB PRO A 159 15.002 14.177 -11.635 1.00 0.41 C ATOM 2546 CG PRO A 159 16.120 15.108 -12.151 1.00 0.70 C ATOM 2547 CD PRO A 159 16.562 14.610 -13.539 1.00 0.28 C ATOM 0 HA PRO A 159 14.488 12.242 -12.557 1.00 0.02 H new ATOM 0 HB2 PRO A 159 14.175 14.763 -11.234 1.00 0.41 H new ATOM 0 HB3 PRO A 159 15.373 13.552 -10.823 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.760 16.135 -12.213 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.964 15.107 -11.461 1.00 0.70 H new ATOM 0 HD2 PRO A 159 16.624 15.424 -14.261 1.00 0.28 H new ATOM 0 HD3 PRO A 159 17.543 14.136 -13.507 1.00 0.28 H new ATOM 2555 N VAL A 160 12.898 14.757 -13.904 1.00 0.01 N ATOM 2556 CA VAL A 160 11.521 15.130 -14.335 1.00 0.02 C ATOM 2557 C VAL A 160 10.986 14.089 -15.321 1.00 0.02 C ATOM 2558 O VAL A 160 9.790 13.946 -15.485 1.00 0.02 O ATOM 2559 CB VAL A 160 11.558 16.502 -15.012 1.00 0.14 C ATOM 2560 CG1 VAL A 160 10.134 17.048 -15.135 1.00 0.86 C ATOM 2561 CG2 VAL A 160 12.401 17.461 -14.170 1.00 0.74 C ATOM 0 H VAL A 160 13.630 15.419 -14.161 1.00 0.01 H new ATOM 0 HA VAL A 160 10.867 15.167 -13.464 1.00 0.02 H new ATOM 0 HB VAL A 160 11.997 16.407 -16.005 1.00 0.14 H new ATOM 0 HG11 VAL A 160 10.159 18.025 -15.617 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.532 16.364 -15.733 1.00 0.86 H new ATOM 0 HG13 VAL A 160 9.694 17.145 -14.142 1.00 0.86 H new ATOM 0 HG21 VAL A 160 12.429 18.439 -14.651 1.00 0.74 H new ATOM 0 HG22 VAL A 160 11.961 17.557 -13.177 1.00 0.74 H new ATOM 0 HG23 VAL A 160 13.415 17.072 -14.081 1.00 0.74 H new ATOM 2571 N ASP A 161 11.838 13.359 -15.985 1.00 0.00 N ATOM 2572 CA ASP A 161 11.326 12.346 -16.951 1.00 0.01 C ATOM 2573 C ASP A 161 10.579 11.238 -16.204 1.00 0.01 C ATOM 2574 O ASP A 161 9.828 10.481 -16.787 1.00 0.01 O ATOM 2575 CB ASP A 161 12.493 11.725 -17.723 1.00 0.00 C ATOM 2576 CG ASP A 161 11.953 10.924 -18.909 1.00 0.02 C ATOM 2577 OD1 ASP A 161 11.373 11.532 -19.792 1.00 0.00 O ATOM 2578 OD2 ASP A 161 12.128 9.718 -18.913 1.00 0.00 O ATOM 0 H ASP A 161 12.853 13.417 -15.903 1.00 0.00 H new ATOM 0 HA ASP A 161 10.647 12.840 -17.645 1.00 0.01 H new ATOM 0 HB2 ASP A 161 13.167 12.506 -18.075 1.00 0.00 H new ATOM 0 HB3 ASP A 161 13.073 11.076 -17.066 1.00 0.00 H new ATOM 2583 N TRP A 162 10.774 11.146 -14.910 1.00 0.01 N ATOM 2584 CA TRP A 162 10.075 10.094 -14.108 1.00 0.01 C ATOM 2585 C TRP A 162 8.872 10.724 -13.398 1.00 0.01 C ATOM 2586 O TRP A 162 8.233 10.107 -12.570 1.00 0.01 O ATOM 2587 CB TRP A 162 11.048 9.511 -13.080 1.00 0.01 C ATOM 2588 CG TRP A 162 10.342 8.604 -12.129 1.00 0.02 C ATOM 2589 CD1 TRP A 162 9.340 7.747 -12.440 1.00 0.01 C ATOM 2590 CD2 TRP A 162 10.590 8.442 -10.709 1.00 0.01 C ATOM 2591 NE1 TRP A 162 8.955 7.078 -11.293 1.00 0.01 N ATOM 2592 CE2 TRP A 162 9.699 7.471 -10.200 1.00 0.01 C ATOM 2593 CE3 TRP A 162 11.497 9.046 -9.821 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 9.709 7.109 -8.856 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 11.511 8.685 -8.467 1.00 0.01 C ATOM 2596 CH2 TRP A 162 10.619 7.718 -7.986 1.00 0.01 C ATOM 0 H TRP A 162 11.390 11.757 -14.374 1.00 0.01 H new ATOM 0 HA TRP A 162 9.728 9.294 -14.762 1.00 0.01 H new ATOM 0 HB2 TRP A 162 11.838 8.962 -13.592 1.00 0.01 H new ATOM 0 HB3 TRP A 162 11.528 10.320 -12.529 1.00 0.01 H new ATOM 0 HD1 TRP A 162 8.912 7.609 -13.422 1.00 0.01 H new ATOM 0 HE1 TRP A 162 8.212 6.380 -11.259 1.00 0.01 H new ATOM 0 HE3 TRP A 162 12.187 9.793 -10.184 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 9.019 6.364 -8.488 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 12.212 9.154 -7.792 1.00 0.01 H new ATOM 0 HH2 TRP A 162 10.634 7.442 -6.942 1.00 0.01 H new ATOM 2607 N GLY A 163 8.532 11.930 -13.752 1.00 0.02 N ATOM 2608 CA GLY A 163 7.337 12.584 -13.140 1.00 0.01 C ATOM 2609 C GLY A 163 7.650 13.168 -11.757 1.00 0.01 C ATOM 2610 O GLY A 163 6.762 13.576 -11.033 1.00 0.01 O ATOM 0 H GLY A 163 9.029 12.495 -14.440 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.981 13.378 -13.797 1.00 0.01 H new ATOM 0 HA3 GLY A 163 6.530 11.857 -13.053 1.00 0.01 H new ATOM 2614 N ALA A 164 8.900 13.185 -11.368 1.00 0.01 N ATOM 2615 CA ALA A 164 9.265 13.713 -10.013 1.00 0.02 C ATOM 2616 C ALA A 164 9.750 15.156 -10.124 1.00 0.01 C ATOM 2617 O ALA A 164 10.442 15.530 -11.051 1.00 0.02 O ATOM 2618 CB ALA A 164 10.406 12.867 -9.451 1.00 0.01 C ATOM 0 H ALA A 164 9.686 12.856 -11.929 1.00 0.01 H new ATOM 0 HA ALA A 164 8.390 13.671 -9.365 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.683 13.239 -8.465 1.00 0.01 H new ATOM 0 HB2 ALA A 164 10.083 11.829 -9.370 1.00 0.01 H new ATOM 0 HB3 ALA A 164 11.267 12.928 -10.117 1.00 0.01 H new ATOM 2624 N ALA A 165 9.380 15.973 -9.170 1.00 0.02 N ATOM 2625 CA ALA A 165 9.795 17.404 -9.185 1.00 0.01 C ATOM 2626 C ALA A 165 11.141 17.585 -8.476 1.00 0.02 C ATOM 2627 O ALA A 165 11.767 18.619 -8.587 1.00 0.01 O ATOM 2628 CB ALA A 165 8.745 18.255 -8.468 1.00 0.59 C ATOM 0 H ALA A 165 8.802 15.704 -8.374 1.00 0.02 H new ATOM 0 HA ALA A 165 9.890 17.720 -10.224 1.00 0.01 H new ATOM 0 HB1 ALA A 165 9.053 19.301 -8.482 1.00 0.59 H new ATOM 0 HB2 ALA A 165 7.786 18.153 -8.975 1.00 0.59 H new ATOM 0 HB3 ALA A 165 8.647 17.919 -7.436 1.00 0.59 H new ATOM 2634 N SER A 166 11.606 16.594 -7.751 1.00 0.01 N ATOM 2635 CA SER A 166 12.919 16.727 -7.045 1.00 0.01 C ATOM 2636 C SER A 166 13.605 15.343 -6.994 1.00 0.02 C ATOM 2637 O SER A 166 12.929 14.334 -6.951 1.00 0.01 O ATOM 2638 CB SER A 166 12.678 17.226 -5.620 1.00 0.72 C ATOM 2639 OG SER A 166 12.111 16.178 -4.845 1.00 0.87 O ATOM 0 H SER A 166 11.133 15.700 -7.619 1.00 0.01 H new ATOM 0 HA SER A 166 13.555 17.435 -7.576 1.00 0.01 H new ATOM 0 HB2 SER A 166 13.616 17.557 -5.175 1.00 0.72 H new ATOM 0 HB3 SER A 166 12.010 18.087 -5.632 1.00 0.72 H new ATOM 0 HG SER A 166 11.957 16.494 -3.930 1.00 0.87 H new ATOM 2645 N PRO A 167 14.925 15.270 -6.984 1.00 0.02 N ATOM 2646 CA PRO A 167 15.619 13.946 -6.919 1.00 0.01 C ATOM 2647 C PRO A 167 15.644 13.346 -5.500 1.00 0.01 C ATOM 2648 O PRO A 167 16.483 12.516 -5.195 1.00 0.01 O ATOM 2649 CB PRO A 167 17.039 14.328 -7.359 1.00 0.38 C ATOM 2650 CG PRO A 167 17.221 15.816 -7.042 1.00 0.35 C ATOM 2651 CD PRO A 167 15.826 16.464 -7.051 1.00 0.22 C ATOM 0 HA PRO A 167 15.130 13.183 -7.525 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.781 13.728 -6.832 1.00 0.38 H new ATOM 0 HB3 PRO A 167 17.176 14.141 -8.424 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.698 15.946 -6.070 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.868 16.289 -7.780 1.00 0.35 H new ATOM 0 HD2 PRO A 167 15.681 17.132 -6.202 1.00 0.22 H new ATOM 0 HD3 PRO A 167 15.656 17.053 -7.952 1.00 0.22 H new ATOM 2659 N ALA A 168 14.775 13.770 -4.613 1.00 0.01 N ATOM 2660 CA ALA A 168 14.827 13.224 -3.221 1.00 0.01 C ATOM 2661 C ALA A 168 14.092 11.883 -3.108 1.00 0.01 C ATOM 2662 O ALA A 168 12.923 11.764 -3.406 1.00 0.02 O ATOM 2663 CB ALA A 168 14.168 14.217 -2.265 1.00 0.18 C ATOM 0 H ALA A 168 14.044 14.459 -4.789 1.00 0.01 H new ATOM 0 HA ALA A 168 15.875 13.068 -2.965 1.00 0.01 H new ATOM 0 HB1 ALA A 168 14.204 13.823 -1.249 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.700 15.168 -2.304 1.00 0.18 H new ATOM 0 HB3 ALA A 168 13.129 14.370 -2.558 1.00 0.18 H new ATOM 2669 N ILE A 169 14.801 10.887 -2.644 1.00 0.01 N ATOM 2670 CA ILE A 169 14.219 9.520 -2.454 1.00 0.01 C ATOM 2671 C ILE A 169 14.995 8.856 -1.305 1.00 0.01 C ATOM 2672 O ILE A 169 16.209 8.850 -1.307 1.00 0.01 O ATOM 2673 CB ILE A 169 14.392 8.735 -3.768 1.00 1.81 C ATOM 2674 CG1 ILE A 169 13.367 9.198 -4.824 1.00 2.75 C ATOM 2675 CG2 ILE A 169 14.222 7.237 -3.532 1.00 2.24 C ATOM 2676 CD1 ILE A 169 11.918 9.019 -4.326 1.00 3.99 C ATOM 0 H ILE A 169 15.784 10.964 -2.382 1.00 0.01 H new ATOM 0 HA ILE A 169 13.157 9.551 -2.209 1.00 0.01 H new ATOM 0 HB ILE A 169 15.400 8.930 -4.135 1.00 1.81 H new ATOM 0 HG12 ILE A 169 13.542 10.246 -5.067 1.00 2.75 H new ATOM 0 HG13 ILE A 169 13.509 8.630 -5.743 1.00 2.75 H new ATOM 0 HG21 ILE A 169 14.349 6.704 -4.474 1.00 2.24 H new ATOM 0 HG22 ILE A 169 14.970 6.894 -2.817 1.00 2.24 H new ATOM 0 HG23 ILE A 169 13.226 7.042 -3.136 1.00 2.24 H new ATOM 0 HD11 ILE A 169 11.224 9.356 -5.096 1.00 3.99 H new ATOM 0 HD12 ILE A 169 11.736 7.967 -4.108 1.00 3.99 H new ATOM 0 HD13 ILE A 169 11.769 9.608 -3.421 1.00 3.99 H new ATOM 2688 N GLN A 170 14.311 8.341 -0.296 1.00 0.01 N ATOM 2689 CA GLN A 170 15.026 7.733 0.885 1.00 0.01 C ATOM 2690 C GLN A 170 14.849 6.207 0.998 1.00 0.02 C ATOM 2691 O GLN A 170 15.598 5.574 1.715 1.00 0.01 O ATOM 2692 CB GLN A 170 14.500 8.382 2.167 1.00 2.62 C ATOM 2693 CG GLN A 170 14.787 9.885 2.135 1.00 3.39 C ATOM 2694 CD GLN A 170 16.290 10.122 2.284 1.00 4.36 C ATOM 2695 OE1 GLN A 170 17.018 10.111 1.312 1.00 4.83 O ATOM 2696 NE2 GLN A 170 16.789 10.338 3.471 1.00 5.17 N ATOM 0 H GLN A 170 13.293 8.316 -0.241 1.00 0.01 H new ATOM 0 HA GLN A 170 16.090 7.919 0.739 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.428 8.208 2.262 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.975 7.929 3.037 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.432 10.314 1.198 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.248 10.386 2.939 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.178 10.347 4.287 1.00 5.17 H new ATOM 0 HE22 GLN A 170 17.790 10.498 3.582 1.00 5.17 H new ATOM 2705 N SER A 171 13.901 5.574 0.347 1.00 0.01 N ATOM 2706 CA SER A 171 13.792 4.081 0.523 1.00 0.01 C ATOM 2707 C SER A 171 13.073 3.457 -0.674 1.00 0.01 C ATOM 2708 O SER A 171 12.364 4.121 -1.402 1.00 0.01 O ATOM 2709 CB SER A 171 13.009 3.778 1.799 1.00 0.01 C ATOM 2710 OG SER A 171 13.712 4.308 2.913 1.00 0.02 O ATOM 0 H SER A 171 13.218 6.003 -0.278 1.00 0.01 H new ATOM 0 HA SER A 171 14.794 3.658 0.593 1.00 0.01 H new ATOM 0 HB2 SER A 171 12.012 4.215 1.741 1.00 0.01 H new ATOM 0 HB3 SER A 171 12.879 2.702 1.914 1.00 0.01 H new ATOM 0 HG SER A 171 13.835 3.606 3.586 1.00 0.02 H new ATOM 2716 N PHE A 172 13.237 2.165 -0.876 1.00 0.01 N ATOM 2717 CA PHE A 172 12.542 1.500 -2.025 1.00 0.01 C ATOM 2718 C PHE A 172 12.290 0.019 -1.731 1.00 0.01 C ATOM 2719 O PHE A 172 12.989 -0.606 -0.950 1.00 0.01 O ATOM 2720 CB PHE A 172 13.384 1.645 -3.304 1.00 1.06 C ATOM 2721 CG PHE A 172 14.601 0.740 -3.273 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.470 -0.639 -3.504 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.870 1.288 -3.036 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.603 -1.462 -3.490 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.001 0.464 -3.029 1.00 2.02 C ATOM 2726 CZ PHE A 172 16.867 -0.911 -3.253 1.00 1.92 C ATOM 0 H PHE A 172 13.815 1.552 -0.301 1.00 0.01 H new ATOM 0 HA PHE A 172 11.579 1.989 -2.170 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.772 1.404 -4.173 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.703 2.681 -3.416 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.496 -1.065 -3.692 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.975 2.348 -2.859 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.501 -2.523 -3.662 1.00 1.16 H new ATOM 0 HE2 PHE A 172 17.978 0.889 -2.851 1.00 2.02 H new ATOM 0 HZ PHE A 172 17.740 -1.547 -3.243 1.00 1.92 H new ATOM 2736 N ARG A 173 11.271 -0.544 -2.342 1.00 0.01 N ATOM 2737 CA ARG A 173 10.935 -1.981 -2.104 1.00 0.01 C ATOM 2738 C ARG A 173 10.403 -2.618 -3.392 1.00 0.01 C ATOM 2739 O ARG A 173 9.774 -1.972 -4.215 1.00 0.01 O ATOM 2740 CB ARG A 173 9.837 -2.081 -1.041 1.00 0.01 C ATOM 2741 CG ARG A 173 10.379 -1.676 0.333 1.00 0.01 C ATOM 2742 CD ARG A 173 9.389 -2.116 1.419 1.00 0.01 C ATOM 2743 NE ARG A 173 9.555 -3.574 1.685 1.00 0.01 N ATOM 2744 CZ ARG A 173 9.043 -4.103 2.761 1.00 0.01 C ATOM 2745 NH1 ARG A 173 8.383 -3.357 3.605 1.00 0.01 N ATOM 2746 NH2 ARG A 173 9.189 -5.378 2.995 1.00 0.01 N ATOM 0 H ARG A 173 10.656 -0.064 -2.999 1.00 0.01 H new ATOM 0 HA ARG A 173 11.837 -2.497 -1.775 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.001 -1.437 -1.312 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.454 -3.101 -1.001 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.352 -2.137 0.503 1.00 0.01 H new ATOM 0 HG3 ARG A 173 10.526 -0.597 0.375 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.560 -1.547 2.333 1.00 0.01 H new ATOM 0 HD3 ARG A 173 8.368 -1.908 1.100 1.00 0.01 H new ATOM 0 HE ARG A 173 10.069 -4.157 1.025 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.268 -2.360 3.423 1.00 0.01 H new ATOM 0 HH12 ARG A 173 7.983 -3.771 4.447 1.00 0.01 H new ATOM 0 HH21 ARG A 173 9.704 -5.962 2.336 1.00 0.01 H new ATOM 0 HH22 ARG A 173 8.788 -5.791 3.837 1.00 0.01 H new ATOM 2760 N ARG A 174 10.637 -3.894 -3.556 1.00 0.01 N ATOM 2761 CA ARG A 174 10.144 -4.612 -4.766 1.00 0.01 C ATOM 2762 C ARG A 174 8.729 -5.140 -4.504 1.00 0.01 C ATOM 2763 O ARG A 174 8.410 -5.567 -3.412 1.00 0.01 O ATOM 2764 CB ARG A 174 11.068 -5.793 -5.079 1.00 0.01 C ATOM 2765 CG ARG A 174 11.365 -6.565 -3.791 1.00 0.01 C ATOM 2766 CD ARG A 174 12.099 -7.864 -4.134 1.00 0.01 C ATOM 2767 NE ARG A 174 12.362 -8.631 -2.885 1.00 0.01 N ATOM 2768 CZ ARG A 174 12.695 -9.891 -2.952 1.00 0.01 C ATOM 2769 NH1 ARG A 174 12.795 -10.478 -4.114 1.00 0.01 N ATOM 2770 NH2 ARG A 174 12.928 -10.564 -1.859 1.00 0.01 N ATOM 0 H ARG A 174 11.154 -4.474 -2.895 1.00 0.01 H new ATOM 0 HA ARG A 174 10.132 -3.924 -5.611 1.00 0.01 H new ATOM 0 HB2 ARG A 174 10.599 -6.451 -5.810 1.00 0.01 H new ATOM 0 HB3 ARG A 174 11.997 -5.434 -5.523 1.00 0.01 H new ATOM 0 HG2 ARG A 174 11.973 -5.957 -3.122 1.00 0.01 H new ATOM 0 HG3 ARG A 174 10.437 -6.787 -3.265 1.00 0.01 H new ATOM 0 HD2 ARG A 174 11.500 -8.462 -4.821 1.00 0.01 H new ATOM 0 HD3 ARG A 174 13.038 -7.641 -4.641 1.00 0.01 H new ATOM 0 HE ARG A 174 12.282 -8.172 -1.978 1.00 0.01 H new ATOM 0 HH11 ARG A 174 12.613 -9.952 -4.969 1.00 0.01 H new ATOM 0 HH12 ARG A 174 13.055 -11.463 -4.167 1.00 0.01 H new ATOM 0 HH21 ARG A 174 12.850 -10.105 -0.951 1.00 0.01 H new ATOM 0 HH22 ARG A 174 13.188 -11.549 -1.912 1.00 0.01 H new ATOM 2784 N ILE A 175 7.884 -5.134 -5.503 1.00 0.01 N ATOM 2785 CA ILE A 175 6.493 -5.663 -5.314 1.00 0.01 C ATOM 2786 C ILE A 175 6.442 -7.122 -5.774 1.00 0.00 C ATOM 2787 O ILE A 175 6.872 -7.447 -6.862 1.00 0.01 O ATOM 2788 CB ILE A 175 5.486 -4.849 -6.131 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.778 -3.354 -5.970 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.069 -5.146 -5.627 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.676 -2.538 -6.658 1.00 3.04 C ATOM 0 H ILE A 175 8.093 -4.788 -6.439 1.00 0.01 H new ATOM 0 HA ILE A 175 6.233 -5.587 -4.258 1.00 0.01 H new ATOM 0 HB ILE A 175 5.569 -5.122 -7.183 1.00 1.52 H new ATOM 0 HG12 ILE A 175 5.830 -3.095 -4.912 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.748 -3.114 -6.405 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.348 -4.568 -6.206 1.00 1.75 H new ATOM 0 HG22 ILE A 175 3.858 -6.209 -5.741 1.00 1.75 H new ATOM 0 HG23 ILE A 175 3.992 -4.872 -4.575 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.885 -1.474 -6.543 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.646 -2.789 -7.718 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.713 -2.770 -6.203 1.00 3.04 H new ATOM 2803 N VAL A 176 5.922 -8.006 -4.958 1.00 0.01 N ATOM 2804 CA VAL A 176 5.843 -9.449 -5.348 1.00 0.00 C ATOM 2805 C VAL A 176 4.471 -10.009 -4.967 1.00 0.01 C ATOM 2806 O VAL A 176 3.879 -9.610 -3.983 1.00 0.00 O ATOM 2807 CB VAL A 176 6.923 -10.239 -4.608 1.00 1.38 C ATOM 2808 CG1 VAL A 176 8.300 -9.674 -4.959 1.00 1.88 C ATOM 2809 CG2 VAL A 176 6.693 -10.124 -3.100 1.00 1.89 C ATOM 0 H VAL A 176 5.547 -7.789 -4.034 1.00 0.01 H new ATOM 0 HA VAL A 176 5.992 -9.537 -6.424 1.00 0.00 H new ATOM 0 HB VAL A 176 6.875 -11.287 -4.905 1.00 1.38 H new ATOM 0 HG11 VAL A 176 9.070 -10.237 -4.431 1.00 1.88 H new ATOM 0 HG12 VAL A 176 8.463 -9.755 -6.034 1.00 1.88 H new ATOM 0 HG13 VAL A 176 8.350 -8.626 -4.663 1.00 1.88 H new ATOM 0 HG21 VAL A 176 7.462 -10.687 -2.571 1.00 1.89 H new ATOM 0 HG22 VAL A 176 6.741 -9.076 -2.803 1.00 1.89 H new ATOM 0 HG23 VAL A 176 5.712 -10.527 -2.850 1.00 1.89 H new ATOM 2819 N GLU A 177 3.962 -10.931 -5.738 1.00 0.01 N ATOM 2820 CA GLU A 177 2.627 -11.518 -5.427 1.00 0.01 C ATOM 2821 C GLU A 177 1.597 -10.396 -5.284 1.00 0.01 C ATOM 2822 CB GLU A 177 2.710 -12.307 -4.118 1.00 2.15 C ATOM 2823 CG GLU A 177 1.444 -13.149 -3.950 1.00 3.19 C ATOM 2824 CD GLU A 177 1.492 -14.338 -4.911 1.00 4.20 C ATOM 2825 OE1 GLU A 177 2.441 -15.101 -4.832 1.00 4.89 O ATOM 2826 OE2 GLU A 177 0.579 -14.466 -5.709 1.00 4.77 O ATOM 0 H GLU A 177 4.414 -11.304 -6.572 1.00 0.01 H new ATOM 0 HA GLU A 177 2.326 -12.185 -6.234 1.00 0.01 H new ATOM 0 HB2 GLU A 177 3.590 -12.951 -4.124 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.820 -11.624 -3.276 1.00 2.15 H new ATOM 0 HG2 GLU A 177 1.363 -13.502 -2.922 1.00 3.19 H new ATOM 0 HG3 GLU A 177 0.561 -12.542 -4.150 1.00 3.19 H new