USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1092 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.0498 F(o=-0.61,f=-0.05) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -110:sc= 0.0579 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 68 HIS : no HD1:sc= -0.0185 X(o=-0.019,f=-0.001) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -7.17! C(o=-7.2!,f=-11!) USER MOD Single : A 76 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.2!) USER MOD Single : A 79 THR OG1 : rot 59:sc= 0.255 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -173:sc= 0.261 USER MOD Single : A 87 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.67) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0104 F(o=-0.56,f=-0.01) USER MOD Single : A 106 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 109 SER OG : rot 180:sc= -1.57! USER MOD Single : A 111 ASN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 169:sc= -2.01! (180deg=-2.31!) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 122 GLN : amide:sc= -0.615 X(o=-0.62,f=-0.38) USER MOD Single : A 125 MET CE :methyl -125:sc= -3.32! (180deg=-8.16!) USER MOD Single : A 128 TYR OH : rot 15:sc= -1.74! USER MOD Single : A 131 THR OG1 : rot 140:sc= -4.17! USER MOD Single : A 138 HIS : no HD1:sc= -0.525 X(o=-0.53,f=-0.26) USER MOD Single : A 139 SER OG : rot 180:sc= -0.14 USER MOD Single : A 140 SER OG : rot 180:sc= 0.0433 USER MOD Single : A 147 THR OG1 : rot 1:sc= 0.435 USER MOD Single : A 150 TYR OH : rot 70:sc= -4.63! USER MOD Single : A 165 ASN : amide:sc= -3.4 K(o=-3.4,f=-14!) USER MOD Single : A 168 SER OG : rot 3:sc= 0.839! USER MOD ----------------------------------------------------------------- ATOM 86 N ASP A 8 -13.052 8.960 12.853 1.00 0.00 N ATOM 87 CA ASP A 8 -11.644 9.332 12.892 1.00 0.00 C ATOM 88 C ASP A 8 -10.907 8.733 11.703 1.00 0.00 C ATOM 89 O ASP A 8 -11.079 7.557 11.383 1.00 0.00 O ATOM 90 CB ASP A 8 -10.988 8.883 14.202 1.00 0.00 C ATOM 91 CG ASP A 8 -11.412 7.490 14.629 1.00 0.00 C ATOM 92 OD1 ASP A 8 -12.630 7.216 14.641 1.00 0.00 O ATOM 93 OD2 ASP A 8 -10.523 6.673 14.951 1.00 0.00 O ATOM 0 HA ASP A 8 -11.582 10.419 12.838 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.904 8.908 14.087 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.241 9.592 14.990 1.00 0.00 H new ATOM 98 N THR A 9 -10.088 9.551 11.049 1.00 0.00 N ATOM 99 CA THR A 9 -9.322 9.106 9.889 1.00 0.00 C ATOM 100 C THR A 9 -8.658 7.759 10.157 1.00 0.00 C ATOM 101 O THR A 9 -8.609 6.896 9.283 1.00 0.00 O ATOM 102 CB THR A 9 -8.267 10.151 9.525 1.00 0.00 C ATOM 103 OG1 THR A 9 -8.874 11.406 9.271 1.00 0.00 O ATOM 104 CG2 THR A 9 -7.449 9.783 8.307 1.00 0.00 C ATOM 0 H THR A 9 -9.937 10.527 11.303 1.00 0.00 H new ATOM 0 HA THR A 9 -10.009 8.985 9.051 1.00 0.00 H new ATOM 0 HB THR A 9 -7.601 10.198 10.386 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.184 12.063 9.041 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.721 10.569 8.107 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.928 8.843 8.489 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.108 9.671 7.446 1.00 0.00 H new ATOM 112 N ARG A 10 -8.151 7.590 11.375 1.00 0.00 N ATOM 113 CA ARG A 10 -7.489 6.353 11.769 1.00 0.00 C ATOM 114 C ARG A 10 -8.431 5.153 11.653 1.00 0.00 C ATOM 115 O ARG A 10 -8.071 4.130 11.071 1.00 0.00 O ATOM 116 CB ARG A 10 -6.956 6.473 13.200 1.00 0.00 C ATOM 117 CG ARG A 10 -5.438 6.497 13.284 1.00 0.00 C ATOM 118 CD ARG A 10 -4.843 5.111 13.086 1.00 0.00 C ATOM 119 NE ARG A 10 -3.393 5.112 13.269 1.00 0.00 N ATOM 120 CZ ARG A 10 -2.795 5.305 14.443 1.00 0.00 C ATOM 121 NH1 ARG A 10 -3.518 5.468 15.544 1.00 0.00 N ATOM 122 NH2 ARG A 10 -1.472 5.331 14.518 1.00 0.00 N ATOM 0 H ARG A 10 -8.187 8.298 12.108 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.654 6.188 11.089 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.351 7.383 13.651 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.331 5.637 13.790 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.042 7.175 12.528 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.133 6.889 14.254 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.298 4.416 13.792 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.083 4.752 12.085 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.805 4.956 12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.536 5.446 15.493 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.055 5.616 16.441 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.911 5.203 13.676 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.015 5.479 15.418 1.00 0.00 H new ATOM 136 N ALA A 11 -9.635 5.278 12.208 1.00 0.00 N ATOM 137 CA ALA A 11 -10.611 4.190 12.154 1.00 0.00 C ATOM 138 C ALA A 11 -10.876 3.765 10.714 1.00 0.00 C ATOM 139 O ALA A 11 -10.817 2.578 10.386 1.00 0.00 O ATOM 140 CB ALA A 11 -11.909 4.597 12.836 1.00 0.00 C ATOM 0 H ALA A 11 -9.957 6.114 12.696 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.193 3.337 12.689 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.621 3.773 12.784 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.711 4.840 13.880 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.326 5.469 12.333 1.00 0.00 H new ATOM 146 N LEU A 12 -11.162 4.741 9.855 1.00 0.00 N ATOM 147 CA LEU A 12 -11.427 4.472 8.445 1.00 0.00 C ATOM 148 C LEU A 12 -10.315 3.619 7.844 1.00 0.00 C ATOM 149 O LEU A 12 -10.575 2.691 7.078 1.00 0.00 O ATOM 150 CB LEU A 12 -11.546 5.787 7.668 1.00 0.00 C ATOM 151 CG LEU A 12 -12.245 5.694 6.307 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.328 5.055 5.273 1.00 0.00 C ATOM 153 CD2 LEU A 12 -13.550 4.918 6.420 1.00 0.00 C ATOM 0 H LEU A 12 -11.216 5.727 10.112 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.368 3.926 8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.087 6.505 8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.545 6.189 7.515 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.479 6.706 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.844 4.999 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.426 5.657 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.057 4.051 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.028 4.865 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.344 3.909 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.214 5.423 7.121 1.00 0.00 H new ATOM 165 N VAL A 13 -9.078 3.936 8.204 1.00 0.00 N ATOM 166 CA VAL A 13 -7.935 3.191 7.705 1.00 0.00 C ATOM 167 C VAL A 13 -8.005 1.738 8.163 1.00 0.00 C ATOM 168 O VAL A 13 -7.891 0.820 7.353 1.00 0.00 O ATOM 169 CB VAL A 13 -6.598 3.804 8.170 1.00 0.00 C ATOM 170 CG1 VAL A 13 -5.429 3.127 7.472 1.00 0.00 C ATOM 171 CG2 VAL A 13 -6.571 5.306 7.923 1.00 0.00 C ATOM 0 H VAL A 13 -8.843 4.701 8.837 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.974 3.240 6.617 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.505 3.637 9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.494 3.573 7.813 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.431 2.063 7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.523 3.260 6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.618 5.713 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.693 5.502 6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.383 5.780 8.474 1.00 0.00 H new ATOM 181 N ALA A 14 -8.204 1.536 9.465 1.00 0.00 N ATOM 182 CA ALA A 14 -8.295 0.190 10.025 1.00 0.00 C ATOM 183 C ALA A 14 -9.424 -0.607 9.379 1.00 0.00 C ATOM 184 O ALA A 14 -9.350 -1.831 9.277 1.00 0.00 O ATOM 185 CB ALA A 14 -8.494 0.254 11.534 1.00 0.00 C ATOM 0 H ALA A 14 -8.305 2.286 10.149 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.357 -0.322 9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.560 -0.757 11.936 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.650 0.772 11.991 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.414 0.794 11.757 1.00 0.00 H new ATOM 191 N ASP A 15 -10.471 0.091 8.946 1.00 0.00 N ATOM 192 CA ASP A 15 -11.610 -0.566 8.313 1.00 0.00 C ATOM 193 C ASP A 15 -11.225 -1.126 6.946 1.00 0.00 C ATOM 194 O ASP A 15 -11.504 -2.284 6.641 1.00 0.00 O ATOM 195 CB ASP A 15 -12.783 0.406 8.171 1.00 0.00 C ATOM 196 CG ASP A 15 -13.199 1.007 9.500 1.00 0.00 C ATOM 197 OD1 ASP A 15 -12.978 0.353 10.541 1.00 0.00 O ATOM 198 OD2 ASP A 15 -13.748 2.129 9.500 1.00 0.00 O ATOM 0 H ASP A 15 -10.554 1.105 9.021 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.917 -1.394 8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.507 1.206 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.632 -0.115 7.729 1.00 0.00 H new ATOM 203 N PHE A 16 -10.581 -0.298 6.130 1.00 0.00 N ATOM 204 CA PHE A 16 -10.158 -0.714 4.797 1.00 0.00 C ATOM 205 C PHE A 16 -9.112 -1.822 4.876 1.00 0.00 C ATOM 206 O PHE A 16 -9.125 -2.759 4.077 1.00 0.00 O ATOM 207 CB PHE A 16 -9.596 0.479 4.020 1.00 0.00 C ATOM 208 CG PHE A 16 -9.094 0.120 2.649 1.00 0.00 C ATOM 209 CD1 PHE A 16 -9.971 0.019 1.582 1.00 0.00 C ATOM 210 CD2 PHE A 16 -7.748 -0.115 2.429 1.00 0.00 C ATOM 211 CE1 PHE A 16 -9.513 -0.310 0.319 1.00 0.00 C ATOM 212 CE2 PHE A 16 -7.283 -0.445 1.170 1.00 0.00 C ATOM 213 CZ PHE A 16 -8.167 -0.541 0.112 1.00 0.00 C ATOM 0 H PHE A 16 -10.341 0.664 6.368 1.00 0.00 H new ATOM 0 HA PHE A 16 -11.032 -1.101 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -10.371 1.239 3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.781 0.923 4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.024 0.199 1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.052 -0.040 3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.207 -0.386 -0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -6.230 -0.628 1.013 1.00 0.00 H new ATOM 0 HZ PHE A 16 -7.806 -0.796 -0.874 1.00 0.00 H new ATOM 223 N VAL A 17 -8.207 -1.711 5.843 1.00 0.00 N ATOM 224 CA VAL A 17 -7.159 -2.707 6.019 1.00 0.00 C ATOM 225 C VAL A 17 -7.738 -4.023 6.532 1.00 0.00 C ATOM 226 O VAL A 17 -7.481 -5.087 5.968 1.00 0.00 O ATOM 227 CB VAL A 17 -6.068 -2.213 6.992 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.962 -3.249 7.139 1.00 0.00 C ATOM 229 CG2 VAL A 17 -5.496 -0.884 6.520 1.00 0.00 C ATOM 0 H VAL A 17 -8.179 -0.944 6.514 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.706 -2.871 5.041 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.526 -2.065 7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.205 -2.878 7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.382 -4.177 7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.506 -3.435 6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.728 -0.550 7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.058 -1.008 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.292 -0.141 6.474 1.00 0.00 H new ATOM 239 N GLY A 18 -8.523 -3.944 7.603 1.00 0.00 N ATOM 240 CA GLY A 18 -9.125 -5.137 8.168 1.00 0.00 C ATOM 241 C GLY A 18 -10.015 -5.865 7.179 1.00 0.00 C ATOM 242 O GLY A 18 -9.997 -7.095 7.109 1.00 0.00 O ATOM 0 H GLY A 18 -8.752 -3.077 8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.338 -5.811 8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.711 -4.863 9.045 1.00 0.00 H new ATOM 246 N TYR A 19 -10.796 -5.108 6.414 1.00 0.00 N ATOM 247 CA TYR A 19 -11.695 -5.693 5.424 1.00 0.00 C ATOM 248 C TYR A 19 -10.908 -6.452 4.363 1.00 0.00 C ATOM 249 O TYR A 19 -11.263 -7.571 3.994 1.00 0.00 O ATOM 250 CB TYR A 19 -12.550 -4.605 4.766 1.00 0.00 C ATOM 251 CG TYR A 19 -14.018 -4.683 5.127 1.00 0.00 C ATOM 252 CD1 TYR A 19 -14.424 -5.067 6.399 1.00 0.00 C ATOM 253 CD2 TYR A 19 -14.998 -4.370 4.192 1.00 0.00 C ATOM 254 CE1 TYR A 19 -15.765 -5.138 6.729 1.00 0.00 C ATOM 255 CE2 TYR A 19 -16.340 -4.438 4.515 1.00 0.00 C ATOM 256 CZ TYR A 19 -16.718 -4.823 5.785 1.00 0.00 C ATOM 257 OH TYR A 19 -18.053 -4.892 6.110 1.00 0.00 O ATOM 0 H TYR A 19 -10.825 -4.089 6.460 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.353 -6.395 5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.165 -3.628 5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.447 -4.679 3.683 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.680 -5.314 7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.706 -4.069 3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.064 -5.439 7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.089 -4.191 3.777 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.593 -4.637 5.333 1.00 0.00 H new ATOM 267 N LYS A 20 -9.835 -5.837 3.877 1.00 0.00 N ATOM 268 CA LYS A 20 -8.995 -6.458 2.859 1.00 0.00 C ATOM 269 C LYS A 20 -8.244 -7.661 3.428 1.00 0.00 C ATOM 270 O LYS A 20 -7.794 -8.531 2.682 1.00 0.00 O ATOM 271 CB LYS A 20 -8.007 -5.438 2.291 1.00 0.00 C ATOM 272 CG LYS A 20 -8.467 -4.810 0.984 1.00 0.00 C ATOM 273 CD LYS A 20 -7.617 -5.270 -0.191 1.00 0.00 C ATOM 274 CE LYS A 20 -8.324 -6.342 -1.008 1.00 0.00 C ATOM 275 NZ LYS A 20 -7.699 -7.680 -0.826 1.00 0.00 N ATOM 0 H LYS A 20 -9.527 -4.910 4.171 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.641 -6.809 2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.847 -4.650 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.045 -5.925 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.510 -5.070 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.419 -3.724 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.387 -4.418 -0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.667 -5.659 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.373 -6.388 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.299 -6.070 -2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.209 -8.382 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.705 -7.643 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.746 -7.951 0.177 1.00 0.00 H new ATOM 289 N LEU A 21 -8.115 -7.708 4.753 1.00 0.00 N ATOM 290 CA LEU A 21 -7.423 -8.809 5.415 1.00 0.00 C ATOM 291 C LEU A 21 -8.314 -10.047 5.467 1.00 0.00 C ATOM 292 O LEU A 21 -7.890 -11.146 5.108 1.00 0.00 O ATOM 293 CB LEU A 21 -7.016 -8.404 6.834 1.00 0.00 C ATOM 294 CG LEU A 21 -5.690 -8.991 7.323 1.00 0.00 C ATOM 295 CD1 LEU A 21 -5.208 -8.255 8.564 1.00 0.00 C ATOM 296 CD2 LEU A 21 -5.835 -10.478 7.610 1.00 0.00 C ATOM 0 H LEU A 21 -8.480 -6.997 5.387 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.527 -9.044 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.953 -7.317 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.805 -8.707 7.522 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.948 -8.864 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.264 -8.685 8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.063 -7.201 8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.951 -8.351 9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.881 -10.876 7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.592 -10.628 8.380 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.136 -10.997 6.700 1.00 0.00 H new ATOM 308 N ARG A 22 -9.550 -9.857 5.920 1.00 0.00 N ATOM 309 CA ARG A 22 -10.505 -10.957 6.024 1.00 0.00 C ATOM 310 C ARG A 22 -11.081 -11.319 4.659 1.00 0.00 C ATOM 311 O ARG A 22 -11.629 -12.407 4.478 1.00 0.00 O ATOM 312 CB ARG A 22 -11.635 -10.593 6.988 1.00 0.00 C ATOM 313 CG ARG A 22 -12.248 -9.230 6.718 1.00 0.00 C ATOM 314 CD ARG A 22 -13.730 -9.329 6.393 1.00 0.00 C ATOM 315 NE ARG A 22 -14.023 -8.864 5.041 1.00 0.00 N ATOM 316 CZ ARG A 22 -15.199 -9.022 4.441 1.00 0.00 C ATOM 317 NH1 ARG A 22 -16.176 -9.693 5.039 1.00 0.00 N ATOM 318 NH2 ARG A 22 -15.394 -8.521 3.232 1.00 0.00 N ATOM 0 H ARG A 22 -9.914 -8.953 6.221 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.972 -11.826 6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.415 -11.352 6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.252 -10.614 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.109 -8.591 7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.725 -8.755 5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.057 -10.363 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.299 -8.739 7.111 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.282 -8.390 4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.028 -10.092 5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.075 -9.809 4.572 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.643 -8.015 2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.295 -8.641 2.770 1.00 0.00 H new ATOM 332 N GLN A 23 -10.950 -10.410 3.695 1.00 0.00 N ATOM 333 CA GLN A 23 -11.454 -10.651 2.346 1.00 0.00 C ATOM 334 C GLN A 23 -10.783 -11.878 1.723 1.00 0.00 C ATOM 335 O GLN A 23 -11.232 -12.385 0.695 1.00 0.00 O ATOM 336 CB GLN A 23 -11.227 -9.420 1.461 1.00 0.00 C ATOM 337 CG GLN A 23 -12.504 -8.877 0.836 1.00 0.00 C ATOM 338 CD GLN A 23 -12.511 -7.363 0.735 1.00 0.00 C ATOM 339 OE1 GLN A 23 -12.939 -6.669 1.657 1.00 0.00 O ATOM 340 NE2 GLN A 23 -12.039 -6.841 -0.393 1.00 0.00 N ATOM 0 H GLN A 23 -10.501 -9.503 3.823 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.525 -10.843 2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.761 -8.635 2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -10.525 -9.677 0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.626 -9.304 -0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.360 -9.201 1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.694 -7.453 -1.133 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.022 -5.829 -0.519 1.00 0.00 H new ATOM 349 N LYS A 24 -9.705 -12.352 2.350 1.00 0.00 N ATOM 350 CA LYS A 24 -8.981 -13.516 1.856 1.00 0.00 C ATOM 351 C LYS A 24 -9.471 -14.800 2.526 1.00 0.00 C ATOM 352 O LYS A 24 -9.241 -15.898 2.020 1.00 0.00 O ATOM 353 CB LYS A 24 -7.483 -13.343 2.104 1.00 0.00 C ATOM 354 CG LYS A 24 -6.799 -12.442 1.091 1.00 0.00 C ATOM 355 CD LYS A 24 -5.853 -13.224 0.192 1.00 0.00 C ATOM 356 CE LYS A 24 -4.396 -12.928 0.516 1.00 0.00 C ATOM 357 NZ LYS A 24 -3.651 -12.444 -0.679 1.00 0.00 N ATOM 0 H LYS A 24 -9.317 -11.945 3.201 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.167 -13.598 0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.334 -12.932 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.005 -14.322 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.552 -11.943 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.244 -11.663 1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.042 -14.291 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.052 -12.975 -0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.344 -12.178 1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.919 -13.829 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.663 -12.253 -0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.679 -13.170 -1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.091 -11.570 -1.032 1.00 0.00 H new ATOM 589 N GLN A 43 -15.676 2.908 -2.134 1.00 0.00 N ATOM 590 CA GLN A 43 -15.432 3.074 -3.564 1.00 0.00 C ATOM 591 C GLN A 43 -14.068 3.712 -3.820 1.00 0.00 C ATOM 592 O GLN A 43 -13.257 3.180 -4.578 1.00 0.00 O ATOM 593 CB GLN A 43 -16.533 3.932 -4.194 1.00 0.00 C ATOM 594 CG GLN A 43 -17.714 3.128 -4.721 1.00 0.00 C ATOM 595 CD GLN A 43 -17.404 2.406 -6.020 1.00 0.00 C ATOM 596 OE1 GLN A 43 -16.800 3.116 -6.966 1.00 0.00 O flip ATOM 597 NE2 GLN A 43 -17.709 1.223 -6.172 1.00 0.00 N flip ATOM 0 HA GLN A 43 -15.440 2.085 -4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -16.893 4.646 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -16.106 4.511 -5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -18.015 2.399 -3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -18.562 3.796 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -18.172 0.715 -5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.498 0.751 -7.051 1.00 0.00 H new ATOM 606 N ALA A 44 -13.823 4.858 -3.189 1.00 0.00 N ATOM 607 CA ALA A 44 -12.561 5.565 -3.354 1.00 0.00 C ATOM 608 C ALA A 44 -11.388 4.694 -2.926 1.00 0.00 C ATOM 609 O ALA A 44 -10.401 4.552 -3.650 1.00 0.00 O ATOM 610 CB ALA A 44 -12.568 6.861 -2.555 1.00 0.00 C ATOM 0 H ALA A 44 -14.483 5.315 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.445 5.803 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -11.617 7.377 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.380 7.499 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.712 6.636 -1.498 1.00 0.00 H new ATOM 616 N MET A 45 -11.507 4.120 -1.735 1.00 0.00 N ATOM 617 CA MET A 45 -10.469 3.265 -1.178 1.00 0.00 C ATOM 618 C MET A 45 -10.209 2.046 -2.062 1.00 0.00 C ATOM 619 O MET A 45 -9.068 1.772 -2.436 1.00 0.00 O ATOM 620 CB MET A 45 -10.870 2.825 0.231 1.00 0.00 C ATOM 621 CG MET A 45 -9.971 3.383 1.323 1.00 0.00 C ATOM 622 SD MET A 45 -10.632 4.889 2.065 1.00 0.00 S ATOM 623 CE MET A 45 -9.120 5.752 2.491 1.00 0.00 C ATOM 0 H MET A 45 -12.322 4.234 -1.132 1.00 0.00 H new ATOM 0 HA MET A 45 -9.543 3.838 -1.132 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.896 3.138 0.422 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.855 1.736 0.281 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.837 2.629 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.985 3.590 0.906 1.00 0.00 H new ATOM 0 HE1 MET A 45 -9.365 6.705 2.960 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.538 5.145 3.184 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.537 5.932 1.588 1.00 0.00 H new ATOM 633 N ARG A 46 -11.270 1.315 -2.390 1.00 0.00 N ATOM 634 CA ARG A 46 -11.154 0.124 -3.228 1.00 0.00 C ATOM 635 C ARG A 46 -10.679 0.488 -4.630 1.00 0.00 C ATOM 636 O ARG A 46 -9.983 -0.289 -5.282 1.00 0.00 O ATOM 637 CB ARG A 46 -12.500 -0.593 -3.323 1.00 0.00 C ATOM 638 CG ARG A 46 -12.774 -1.534 -2.166 1.00 0.00 C ATOM 639 CD ARG A 46 -12.857 -2.980 -2.631 1.00 0.00 C ATOM 640 NE ARG A 46 -13.852 -3.740 -1.881 1.00 0.00 N ATOM 641 CZ ARG A 46 -13.867 -3.841 -0.554 1.00 0.00 C ATOM 642 NH1 ARG A 46 -12.917 -3.274 0.180 1.00 0.00 N ATOM 643 NH2 ARG A 46 -14.828 -4.528 0.045 1.00 0.00 N ATOM 0 H ARG A 46 -12.221 1.526 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.421 -0.537 -2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.295 0.151 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.536 -1.157 -4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.985 -1.435 -1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.708 -1.253 -1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.105 -3.006 -3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.881 -3.453 -2.521 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.581 -4.223 -2.406 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.165 -2.754 -0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.939 -3.358 1.196 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.555 -4.979 -0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.841 -4.606 1.062 1.00 0.00 H new ATOM 657 N ALA A 47 -11.073 1.668 -5.086 1.00 0.00 N ATOM 658 CA ALA A 47 -10.701 2.135 -6.413 1.00 0.00 C ATOM 659 C ALA A 47 -9.195 2.372 -6.512 1.00 0.00 C ATOM 660 O ALA A 47 -8.534 1.810 -7.384 1.00 0.00 O ATOM 661 CB ALA A 47 -11.483 3.390 -6.760 1.00 0.00 C ATOM 0 H ALA A 47 -11.651 2.320 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.953 1.361 -7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.198 3.733 -7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.550 3.170 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.262 4.170 -6.031 1.00 0.00 H new ATOM 667 N ALA A 48 -8.648 3.186 -5.607 1.00 0.00 N ATOM 668 CA ALA A 48 -7.211 3.458 -5.605 1.00 0.00 C ATOM 669 C ALA A 48 -6.427 2.151 -5.578 1.00 0.00 C ATOM 670 O ALA A 48 -5.499 1.941 -6.365 1.00 0.00 O ATOM 671 CB ALA A 48 -6.831 4.324 -4.409 1.00 0.00 C ATOM 0 H ALA A 48 -9.172 3.663 -4.874 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.961 4.000 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.758 4.516 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.369 5.270 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.094 3.806 -3.487 1.00 0.00 H new ATOM 677 N GLY A 49 -6.822 1.268 -4.666 1.00 0.00 N ATOM 678 CA GLY A 49 -6.170 -0.019 -4.538 1.00 0.00 C ATOM 679 C GLY A 49 -6.113 -0.774 -5.852 1.00 0.00 C ATOM 680 O GLY A 49 -5.033 -1.044 -6.392 1.00 0.00 O ATOM 0 H GLY A 49 -7.587 1.424 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.157 0.126 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.701 -0.620 -3.800 1.00 0.00 H new ATOM 684 N ASP A 50 -7.289 -1.109 -6.367 1.00 0.00 N ATOM 685 CA ASP A 50 -7.407 -1.835 -7.625 1.00 0.00 C ATOM 686 C ASP A 50 -6.851 -1.021 -8.792 1.00 0.00 C ATOM 687 O ASP A 50 -6.634 -1.552 -9.881 1.00 0.00 O ATOM 688 CB ASP A 50 -8.875 -2.193 -7.884 1.00 0.00 C ATOM 689 CG ASP A 50 -9.116 -3.690 -7.934 1.00 0.00 C ATOM 690 OD1 ASP A 50 -8.134 -4.458 -7.861 1.00 0.00 O ATOM 691 OD2 ASP A 50 -10.293 -4.095 -8.046 1.00 0.00 O ATOM 0 H ASP A 50 -8.182 -0.887 -5.928 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.819 -2.749 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.494 -1.756 -7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.192 -1.747 -8.827 1.00 0.00 H new ATOM 696 N GLU A 51 -6.627 0.271 -8.566 1.00 0.00 N ATOM 697 CA GLU A 51 -6.105 1.144 -9.605 1.00 0.00 C ATOM 698 C GLU A 51 -4.653 0.799 -9.938 1.00 0.00 C ATOM 699 O GLU A 51 -4.355 0.432 -11.071 1.00 0.00 O ATOM 700 CB GLU A 51 -6.244 2.613 -9.174 1.00 0.00 C ATOM 701 CG GLU A 51 -6.040 3.635 -10.286 1.00 0.00 C ATOM 702 CD GLU A 51 -6.976 3.442 -11.466 1.00 0.00 C ATOM 703 OE1 GLU A 51 -7.630 2.383 -11.544 1.00 0.00 O ATOM 704 OE2 GLU A 51 -7.057 4.356 -12.313 1.00 0.00 O ATOM 0 H GLU A 51 -6.800 0.733 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.689 0.993 -10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.236 2.758 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.523 2.813 -8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.183 4.636 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.010 3.578 -10.637 1.00 0.00 H new ATOM 711 N PHE A 52 -3.751 0.910 -8.960 1.00 0.00 N ATOM 712 CA PHE A 52 -2.332 0.601 -9.200 1.00 0.00 C ATOM 713 C PHE A 52 -2.123 -0.872 -9.511 1.00 0.00 C ATOM 714 O PHE A 52 -1.289 -1.228 -10.346 1.00 0.00 O ATOM 715 CB PHE A 52 -1.456 0.974 -7.998 1.00 0.00 C ATOM 716 CG PHE A 52 -1.976 0.491 -6.672 1.00 0.00 C ATOM 717 CD1 PHE A 52 -1.882 -0.848 -6.320 1.00 0.00 C ATOM 718 CD2 PHE A 52 -2.550 1.374 -5.773 1.00 0.00 C ATOM 719 CE1 PHE A 52 -2.354 -1.292 -5.100 1.00 0.00 C ATOM 720 CE2 PHE A 52 -3.021 0.936 -4.554 1.00 0.00 C ATOM 721 CZ PHE A 52 -2.924 -0.400 -4.216 1.00 0.00 C ATOM 0 H PHE A 52 -3.968 1.206 -8.008 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.036 1.200 -10.061 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.457 0.566 -8.152 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.355 2.059 -7.961 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.435 -1.551 -7.007 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.630 2.420 -6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.277 -2.337 -4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.466 1.637 -3.863 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.294 -0.745 -3.262 1.00 0.00 H new ATOM 731 N GLU A 53 -2.858 -1.730 -8.816 1.00 0.00 N ATOM 732 CA GLU A 53 -2.722 -3.169 -9.003 1.00 0.00 C ATOM 733 C GLU A 53 -3.113 -3.599 -10.413 1.00 0.00 C ATOM 734 O GLU A 53 -2.485 -4.485 -10.993 1.00 0.00 O ATOM 735 CB GLU A 53 -3.565 -3.915 -7.972 1.00 0.00 C ATOM 736 CG GLU A 53 -2.815 -5.042 -7.288 1.00 0.00 C ATOM 737 CD GLU A 53 -2.879 -4.953 -5.776 1.00 0.00 C ATOM 738 OE1 GLU A 53 -3.787 -4.265 -5.261 1.00 0.00 O ATOM 739 OE2 GLU A 53 -2.023 -5.568 -5.108 1.00 0.00 O ATOM 0 H GLU A 53 -3.552 -1.456 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.671 -3.421 -8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.913 -3.209 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.450 -4.321 -8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.230 -5.997 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.772 -5.024 -7.605 1.00 0.00 H new ATOM 746 N THR A 54 -4.147 -2.975 -10.957 1.00 0.00 N ATOM 747 CA THR A 54 -4.612 -3.302 -12.297 1.00 0.00 C ATOM 748 C THR A 54 -3.881 -2.468 -13.336 1.00 0.00 C ATOM 749 O THR A 54 -3.654 -2.910 -14.462 1.00 0.00 O ATOM 750 CB THR A 54 -6.115 -3.057 -12.410 1.00 0.00 C ATOM 751 OG1 THR A 54 -6.812 -3.729 -11.377 1.00 0.00 O ATOM 752 CG2 THR A 54 -6.699 -3.506 -13.732 1.00 0.00 C ATOM 0 H THR A 54 -4.680 -2.240 -10.492 1.00 0.00 H new ATOM 0 HA THR A 54 -4.405 -4.356 -12.481 1.00 0.00 H new ATOM 0 HB THR A 54 -6.238 -1.977 -12.329 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.041 -3.092 -10.668 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.770 -3.303 -13.745 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.217 -2.964 -14.546 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.531 -4.575 -13.859 1.00 0.00 H new ATOM 760 N ARG A 55 -3.523 -1.252 -12.947 1.00 0.00 N ATOM 761 CA ARG A 55 -2.826 -0.333 -13.831 1.00 0.00 C ATOM 762 C ARG A 55 -1.646 -1.015 -14.544 1.00 0.00 C ATOM 763 O ARG A 55 -1.543 -0.963 -15.769 1.00 0.00 O ATOM 764 CB ARG A 55 -2.355 0.880 -13.023 1.00 0.00 C ATOM 765 CG ARG A 55 -3.132 2.158 -13.318 1.00 0.00 C ATOM 766 CD ARG A 55 -3.332 3.008 -12.072 1.00 0.00 C ATOM 767 NE ARG A 55 -2.089 3.568 -11.558 1.00 0.00 N ATOM 768 CZ ARG A 55 -2.017 4.736 -10.917 1.00 0.00 C ATOM 769 NH1 ARG A 55 -3.089 5.497 -10.765 1.00 0.00 N ATOM 770 NH2 ARG A 55 -0.876 5.140 -10.404 1.00 0.00 N ATOM 0 H ARG A 55 -3.707 -0.878 -12.016 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.515 -0.004 -14.609 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.440 0.652 -11.961 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.299 1.053 -13.228 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.600 2.739 -14.071 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.103 1.902 -13.741 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.023 3.820 -12.300 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.799 2.401 -11.296 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.228 3.039 -11.696 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.987 5.193 -11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.017 6.387 -10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.042 4.560 -10.495 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.825 6.033 -9.915 1.00 0.00 H new ATOM 784 N PHE A 56 -0.763 -1.659 -13.776 1.00 0.00 N ATOM 785 CA PHE A 56 0.394 -2.344 -14.352 1.00 0.00 C ATOM 786 C PHE A 56 0.050 -3.796 -14.711 1.00 0.00 C ATOM 787 O PHE A 56 -1.021 -4.066 -15.258 1.00 0.00 O ATOM 788 CB PHE A 56 1.588 -2.274 -13.386 1.00 0.00 C ATOM 789 CG PHE A 56 2.908 -2.675 -14.003 1.00 0.00 C ATOM 790 CD1 PHE A 56 3.198 -2.383 -15.328 1.00 0.00 C ATOM 791 CD2 PHE A 56 3.856 -3.351 -13.250 1.00 0.00 C ATOM 792 CE1 PHE A 56 4.406 -2.753 -15.886 1.00 0.00 C ATOM 793 CE2 PHE A 56 5.065 -3.726 -13.805 1.00 0.00 C ATOM 794 CZ PHE A 56 5.341 -3.426 -15.124 1.00 0.00 C ATOM 0 H PHE A 56 -0.827 -1.720 -12.760 1.00 0.00 H new ATOM 0 HA PHE A 56 0.674 -1.837 -15.276 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.673 -1.257 -13.004 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.388 -2.920 -12.531 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.470 -1.860 -15.930 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.647 -3.587 -12.217 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.619 -2.516 -16.918 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.793 -4.253 -13.207 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.286 -3.717 -15.559 1.00 0.00 H new ATOM 804 N ARG A 57 0.962 -4.723 -14.417 1.00 0.00 N ATOM 805 CA ARG A 57 0.756 -6.136 -14.722 1.00 0.00 C ATOM 806 C ARG A 57 1.192 -7.041 -13.563 1.00 0.00 C ATOM 807 O ARG A 57 0.375 -7.774 -13.002 1.00 0.00 O ATOM 808 CB ARG A 57 1.500 -6.514 -16.010 1.00 0.00 C ATOM 809 CG ARG A 57 3.007 -6.272 -15.982 1.00 0.00 C ATOM 810 CD ARG A 57 3.706 -6.993 -17.123 1.00 0.00 C ATOM 811 NE ARG A 57 4.116 -8.347 -16.745 1.00 0.00 N ATOM 812 CZ ARG A 57 5.141 -8.620 -15.936 1.00 0.00 C ATOM 813 NH1 ARG A 57 5.865 -7.636 -15.415 1.00 0.00 N ATOM 814 NH2 ARG A 57 5.449 -9.881 -15.651 1.00 0.00 N ATOM 0 H ARG A 57 1.854 -4.518 -13.966 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.313 -6.290 -14.869 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.321 -7.569 -16.218 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.072 -5.948 -16.838 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.207 -5.203 -16.049 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.414 -6.613 -15.030 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.039 -7.043 -17.984 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.582 -6.421 -17.431 1.00 0.00 H new ATOM 0 HE ARG A 57 3.584 -9.131 -17.124 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.638 -6.666 -15.633 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.648 -7.851 -14.797 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.901 -10.643 -16.051 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.233 -10.087 -15.032 1.00 0.00 H new ATOM 828 N ARG A 58 2.474 -6.993 -13.207 1.00 0.00 N ATOM 829 CA ARG A 58 3.002 -7.801 -12.124 1.00 0.00 C ATOM 830 C ARG A 58 3.808 -6.925 -11.183 1.00 0.00 C ATOM 831 O ARG A 58 4.987 -7.183 -10.931 1.00 0.00 O ATOM 832 CB ARG A 58 3.885 -8.919 -12.676 1.00 0.00 C ATOM 833 CG ARG A 58 3.130 -10.188 -13.027 1.00 0.00 C ATOM 834 CD ARG A 58 4.079 -11.360 -13.200 1.00 0.00 C ATOM 835 NE ARG A 58 3.611 -12.542 -12.485 1.00 0.00 N ATOM 836 CZ ARG A 58 2.562 -13.264 -12.864 1.00 0.00 C ATOM 837 NH1 ARG A 58 1.885 -12.937 -13.960 1.00 0.00 N ATOM 838 NH2 ARG A 58 2.188 -14.314 -12.148 1.00 0.00 N ATOM 0 H ARG A 58 3.166 -6.396 -13.660 1.00 0.00 H new ATOM 0 HA ARG A 58 2.171 -8.250 -11.580 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.398 -8.556 -13.567 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.653 -9.158 -11.940 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.408 -10.414 -12.242 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.564 -10.036 -13.946 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.181 -11.592 -14.260 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.069 -11.083 -12.837 1.00 0.00 H new ATOM 0 HE ARG A 58 4.117 -12.830 -11.648 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.170 -12.129 -14.514 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.080 -13.494 -14.248 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.705 -14.568 -11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.383 -14.869 -12.438 1.00 0.00 H new ATOM 852 N THR A 59 3.168 -5.890 -10.658 1.00 0.00 N ATOM 853 CA THR A 59 3.834 -4.979 -9.743 1.00 0.00 C ATOM 854 C THR A 59 4.577 -5.754 -8.665 1.00 0.00 C ATOM 855 O THR A 59 5.646 -5.353 -8.233 1.00 0.00 O ATOM 856 CB THR A 59 2.819 -4.021 -9.112 1.00 0.00 C ATOM 857 OG1 THR A 59 1.673 -4.729 -8.657 1.00 0.00 O ATOM 858 CG2 THR A 59 2.357 -2.936 -10.065 1.00 0.00 C ATOM 0 H THR A 59 2.192 -5.662 -10.850 1.00 0.00 H new ATOM 0 HA THR A 59 4.560 -4.393 -10.306 1.00 0.00 H new ATOM 0 HB THR A 59 3.338 -3.549 -8.278 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.038 -4.100 -8.256 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.639 -2.290 -9.560 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.214 -2.345 -10.386 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.885 -3.393 -10.935 1.00 0.00 H new ATOM 866 N PHE A 60 4.008 -6.871 -8.239 1.00 0.00 N ATOM 867 CA PHE A 60 4.631 -7.688 -7.208 1.00 0.00 C ATOM 868 C PHE A 60 5.938 -8.315 -7.692 1.00 0.00 C ATOM 869 O PHE A 60 7.020 -7.943 -7.234 1.00 0.00 O ATOM 870 CB PHE A 60 3.661 -8.775 -6.746 1.00 0.00 C ATOM 871 CG PHE A 60 3.418 -8.763 -5.266 1.00 0.00 C ATOM 872 CD1 PHE A 60 4.475 -8.880 -4.379 1.00 0.00 C ATOM 873 CD2 PHE A 60 2.134 -8.627 -4.759 1.00 0.00 C ATOM 874 CE1 PHE A 60 4.259 -8.863 -3.015 1.00 0.00 C ATOM 875 CE2 PHE A 60 1.912 -8.609 -3.396 1.00 0.00 C ATOM 876 CZ PHE A 60 2.976 -8.727 -2.523 1.00 0.00 C ATOM 0 H PHE A 60 3.120 -7.232 -8.589 1.00 0.00 H new ATOM 0 HA PHE A 60 4.872 -7.037 -6.368 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.711 -8.648 -7.264 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.054 -9.750 -7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.481 -8.986 -4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.299 -8.534 -5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.092 -8.956 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.908 -8.503 -3.013 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.805 -8.713 -1.457 1.00 0.00 H new ATOM 886 N SER A 61 5.831 -9.274 -8.606 1.00 0.00 N ATOM 887 CA SER A 61 7.004 -9.962 -9.138 1.00 0.00 C ATOM 888 C SER A 61 8.093 -8.973 -9.533 1.00 0.00 C ATOM 889 O SER A 61 9.284 -9.252 -9.386 1.00 0.00 O ATOM 890 CB SER A 61 6.615 -10.823 -10.343 1.00 0.00 C ATOM 891 OG SER A 61 5.307 -11.356 -10.196 1.00 0.00 O ATOM 0 H SER A 61 4.944 -9.593 -8.995 1.00 0.00 H new ATOM 0 HA SER A 61 7.399 -10.606 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.666 -10.224 -11.252 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.331 -11.637 -10.457 1.00 0.00 H new ATOM 0 HG SER A 61 5.363 -12.323 -10.050 1.00 0.00 H new ATOM 897 N ASP A 62 7.680 -7.811 -10.025 1.00 0.00 N ATOM 898 CA ASP A 62 8.630 -6.789 -10.428 1.00 0.00 C ATOM 899 C ASP A 62 9.155 -6.019 -9.212 1.00 0.00 C ATOM 900 O ASP A 62 10.349 -6.070 -8.919 1.00 0.00 O ATOM 901 CB ASP A 62 8.003 -5.837 -11.454 1.00 0.00 C ATOM 902 CG ASP A 62 8.451 -6.152 -12.869 1.00 0.00 C ATOM 903 OD1 ASP A 62 8.533 -7.351 -13.214 1.00 0.00 O ATOM 904 OD2 ASP A 62 8.724 -5.201 -13.632 1.00 0.00 O ATOM 0 H ASP A 62 6.700 -7.557 -10.153 1.00 0.00 H new ATOM 0 HA ASP A 62 9.478 -7.283 -10.902 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.917 -5.904 -11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.273 -4.810 -11.208 1.00 0.00 H new ATOM 909 N LEU A 63 8.271 -5.310 -8.499 1.00 0.00 N ATOM 910 CA LEU A 63 8.683 -4.544 -7.323 1.00 0.00 C ATOM 911 C LEU A 63 9.555 -5.393 -6.405 1.00 0.00 C ATOM 912 O LEU A 63 10.520 -4.901 -5.823 1.00 0.00 O ATOM 913 CB LEU A 63 7.466 -4.025 -6.544 1.00 0.00 C ATOM 914 CG LEU A 63 7.125 -2.547 -6.778 1.00 0.00 C ATOM 915 CD1 LEU A 63 5.807 -2.406 -7.524 1.00 0.00 C ATOM 916 CD2 LEU A 63 7.068 -1.792 -5.455 1.00 0.00 C ATOM 0 H LEU A 63 7.276 -5.253 -8.715 1.00 0.00 H new ATOM 0 HA LEU A 63 9.261 -3.689 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.599 -4.629 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.644 -4.177 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 63 7.914 -2.113 -7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.587 -1.350 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.880 -2.906 -8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.008 -2.862 -6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.825 -0.746 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.302 -2.233 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.036 -1.856 -4.958 1.00 0.00 H new ATOM 928 N ALA A 64 9.213 -6.670 -6.284 1.00 0.00 N ATOM 929 CA ALA A 64 9.978 -7.574 -5.439 1.00 0.00 C ATOM 930 C ALA A 64 11.382 -7.773 -5.995 1.00 0.00 C ATOM 931 O ALA A 64 12.356 -7.343 -5.388 1.00 0.00 O ATOM 932 CB ALA A 64 9.267 -8.912 -5.288 1.00 0.00 C ATOM 0 H ALA A 64 8.417 -7.099 -6.757 1.00 0.00 H new ATOM 0 HA ALA A 64 10.061 -7.121 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.860 -9.569 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.288 -8.755 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.143 -9.371 -6.269 1.00 0.00 H new ATOM 938 N ALA A 65 11.477 -8.424 -7.153 1.00 0.00 N ATOM 939 CA ALA A 65 12.768 -8.683 -7.789 1.00 0.00 C ATOM 940 C ALA A 65 13.579 -7.401 -7.982 1.00 0.00 C ATOM 941 O ALA A 65 14.698 -7.283 -7.476 1.00 0.00 O ATOM 942 CB ALA A 65 12.561 -9.386 -9.122 1.00 0.00 C ATOM 0 H ALA A 65 10.674 -8.782 -7.671 1.00 0.00 H new ATOM 0 HA ALA A 65 13.340 -9.331 -7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.528 -9.575 -9.588 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.046 -10.333 -8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.960 -8.755 -9.777 1.00 0.00 H new ATOM 948 N GLN A 66 13.013 -6.448 -8.723 1.00 0.00 N ATOM 949 CA GLN A 66 13.693 -5.179 -8.991 1.00 0.00 C ATOM 950 C GLN A 66 14.220 -4.557 -7.700 1.00 0.00 C ATOM 951 O GLN A 66 15.429 -4.427 -7.515 1.00 0.00 O ATOM 952 CB GLN A 66 12.749 -4.208 -9.724 1.00 0.00 C ATOM 953 CG GLN A 66 12.941 -2.739 -9.362 1.00 0.00 C ATOM 954 CD GLN A 66 12.061 -1.818 -10.183 1.00 0.00 C ATOM 955 OE1 GLN A 66 12.279 -1.636 -11.381 1.00 0.00 O ATOM 956 NE2 GLN A 66 11.057 -1.233 -9.539 1.00 0.00 N ATOM 0 H GLN A 66 12.089 -6.529 -9.147 1.00 0.00 H new ATOM 0 HA GLN A 66 14.548 -5.379 -9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.892 -4.325 -10.798 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.719 -4.490 -9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.722 -2.597 -8.304 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.986 -2.465 -9.510 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.914 -1.413 -8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.429 -0.603 -10.038 1.00 0.00 H new ATOM 965 N LEU A 67 13.311 -4.174 -6.811 1.00 0.00 N ATOM 966 CA LEU A 67 13.705 -3.568 -5.547 1.00 0.00 C ATOM 967 C LEU A 67 14.569 -4.530 -4.729 1.00 0.00 C ATOM 968 O LEU A 67 15.284 -4.109 -3.820 1.00 0.00 O ATOM 969 CB LEU A 67 12.475 -3.142 -4.741 1.00 0.00 C ATOM 970 CG LEU A 67 11.514 -2.192 -5.467 1.00 0.00 C ATOM 971 CD1 LEU A 67 10.421 -1.711 -4.524 1.00 0.00 C ATOM 972 CD2 LEU A 67 12.271 -1.006 -6.050 1.00 0.00 C ATOM 0 H LEU A 67 12.304 -4.272 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 67 14.295 -2.679 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.924 -4.036 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.811 -2.661 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 67 11.047 -2.740 -6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.750 -1.038 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.857 -2.567 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.872 -1.182 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.572 -0.344 -6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.767 -0.461 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.017 -1.364 -6.760 1.00 0.00 H new ATOM 984 N HIS A 68 14.508 -5.823 -5.064 1.00 0.00 N ATOM 985 CA HIS A 68 15.300 -6.830 -4.361 1.00 0.00 C ATOM 986 C HIS A 68 16.785 -6.538 -4.530 1.00 0.00 C ATOM 987 O HIS A 68 17.414 -5.983 -3.632 1.00 0.00 O ATOM 988 CB HIS A 68 14.979 -8.245 -4.862 1.00 0.00 C ATOM 989 CG HIS A 68 15.261 -9.309 -3.850 1.00 0.00 C ATOM 990 ND1 HIS A 68 14.353 -10.290 -3.518 1.00 0.00 N ATOM 991 CD2 HIS A 68 16.358 -9.542 -3.092 1.00 0.00 C ATOM 992 CE1 HIS A 68 14.875 -11.082 -2.601 1.00 0.00 C ATOM 993 NE2 HIS A 68 16.092 -10.650 -2.324 1.00 0.00 N ATOM 0 H HIS A 68 13.922 -6.192 -5.813 1.00 0.00 H new ATOM 0 HA HIS A 68 15.042 -6.783 -3.303 1.00 0.00 H new ATOM 0 HB2 HIS A 68 13.928 -8.293 -5.146 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.561 -8.445 -5.761 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.271 -8.965 -3.091 1.00 0.00 H new ATOM 0 HE1 HIS A 68 14.390 -11.937 -2.154 1.00 0.00 H new ATOM 0 HE2 HIS A 68 16.731 -11.071 -1.649 1.00 0.00 H new ATOM 1001 N VAL A 69 17.341 -6.907 -5.686 1.00 0.00 N ATOM 1002 CA VAL A 69 18.765 -6.671 -5.972 1.00 0.00 C ATOM 1003 C VAL A 69 19.299 -5.414 -5.253 1.00 0.00 C ATOM 1004 O VAL A 69 20.233 -5.503 -4.457 1.00 0.00 O ATOM 1005 CB VAL A 69 19.016 -6.556 -7.495 1.00 0.00 C ATOM 1006 CG1 VAL A 69 20.286 -5.771 -7.795 1.00 0.00 C ATOM 1007 CG2 VAL A 69 19.086 -7.940 -8.122 1.00 0.00 C ATOM 0 H VAL A 69 16.832 -7.369 -6.439 1.00 0.00 H new ATOM 0 HA VAL A 69 19.309 -7.534 -5.588 1.00 0.00 H new ATOM 0 HB VAL A 69 18.180 -6.010 -7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 69 20.430 -5.711 -8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 69 20.198 -4.765 -7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 69 21.140 -6.274 -7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 69 19.263 -7.846 -9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 69 19.901 -8.504 -7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 69 18.145 -8.463 -7.954 1.00 0.00 H new ATOM 1017 N THR A 70 18.692 -4.254 -5.527 1.00 0.00 N ATOM 1018 CA THR A 70 19.099 -3.005 -4.896 1.00 0.00 C ATOM 1019 C THR A 70 18.946 -3.095 -3.375 1.00 0.00 C ATOM 1020 O THR A 70 17.828 -3.116 -2.858 1.00 0.00 O ATOM 1021 CB THR A 70 18.258 -1.845 -5.438 1.00 0.00 C ATOM 1022 OG1 THR A 70 17.629 -2.207 -6.655 1.00 0.00 O ATOM 1023 CG2 THR A 70 19.063 -0.588 -5.689 1.00 0.00 C ATOM 0 H THR A 70 17.917 -4.160 -6.183 1.00 0.00 H new ATOM 0 HA THR A 70 20.149 -2.826 -5.129 1.00 0.00 H new ATOM 0 HB THR A 70 17.522 -1.634 -4.662 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.095 -1.454 -6.984 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.407 0.194 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.518 -0.255 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.844 -0.796 -6.420 1.00 0.00 H new ATOM 1031 N PRO A 71 20.069 -3.155 -2.633 1.00 0.00 N ATOM 1032 CA PRO A 71 20.044 -3.247 -1.168 1.00 0.00 C ATOM 1033 C PRO A 71 19.181 -2.163 -0.533 1.00 0.00 C ATOM 1034 O PRO A 71 19.503 -0.977 -0.611 1.00 0.00 O ATOM 1035 CB PRO A 71 21.511 -3.060 -0.776 1.00 0.00 C ATOM 1036 CG PRO A 71 22.280 -3.512 -1.967 1.00 0.00 C ATOM 1037 CD PRO A 71 21.445 -3.139 -3.161 1.00 0.00 C ATOM 0 HA PRO A 71 19.614 -4.188 -0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.727 -2.019 -0.536 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.764 -3.649 0.106 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.257 -3.030 -2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.456 -4.587 -1.934 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.715 -2.157 -3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.571 -3.850 -3.977 1.00 0.00 H new ATOM 1045 N GLY A 72 18.082 -2.572 0.092 1.00 0.00 N ATOM 1046 CA GLY A 72 17.191 -1.618 0.724 1.00 0.00 C ATOM 1047 C GLY A 72 16.870 -1.982 2.159 1.00 0.00 C ATOM 1048 O GLY A 72 16.707 -3.157 2.488 1.00 0.00 O ATOM 0 H GLY A 72 17.793 -3.547 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 72 17.647 -0.628 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.265 -1.558 0.153 1.00 0.00 H new ATOM 1052 N SER A 73 16.757 -0.968 3.009 1.00 0.00 N ATOM 1053 CA SER A 73 16.431 -1.177 4.411 1.00 0.00 C ATOM 1054 C SER A 73 14.990 -1.653 4.558 1.00 0.00 C ATOM 1055 O SER A 73 14.312 -1.923 3.566 1.00 0.00 O ATOM 1056 CB SER A 73 16.641 0.117 5.201 1.00 0.00 C ATOM 1057 OG SER A 73 17.110 -0.153 6.508 1.00 0.00 O ATOM 0 H SER A 73 16.887 0.010 2.749 1.00 0.00 H new ATOM 0 HA SER A 73 17.094 -1.945 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.356 0.753 4.679 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.703 0.670 5.255 1.00 0.00 H new ATOM 0 HG SER A 73 17.237 0.690 6.991 1.00 0.00 H new ATOM 1063 N ALA A 74 14.530 -1.757 5.798 1.00 0.00 N ATOM 1064 CA ALA A 74 13.172 -2.204 6.078 1.00 0.00 C ATOM 1065 C ALA A 74 12.136 -1.181 5.606 1.00 0.00 C ATOM 1066 O ALA A 74 12.405 -0.377 4.715 1.00 0.00 O ATOM 1067 CB ALA A 74 13.022 -2.483 7.568 1.00 0.00 C ATOM 0 H ALA A 74 15.080 -1.537 6.629 1.00 0.00 H new ATOM 0 HA ALA A 74 12.990 -3.124 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.005 -2.817 7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.727 -3.259 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.226 -1.572 8.131 1.00 0.00 H new ATOM 1073 N GLN A 75 10.946 -1.229 6.208 1.00 0.00 N ATOM 1074 CA GLN A 75 9.853 -0.320 5.858 1.00 0.00 C ATOM 1075 C GLN A 75 10.345 1.104 5.633 1.00 0.00 C ATOM 1076 O GLN A 75 10.082 1.707 4.589 1.00 0.00 O ATOM 1077 CB GLN A 75 8.807 -0.299 6.967 1.00 0.00 C ATOM 1078 CG GLN A 75 9.403 -0.123 8.355 1.00 0.00 C ATOM 1079 CD GLN A 75 8.962 -1.190 9.325 1.00 0.00 C ATOM 1080 OE1 GLN A 75 8.640 -0.898 10.477 1.00 0.00 O ATOM 1081 NE2 GLN A 75 8.954 -2.438 8.864 1.00 0.00 N ATOM 0 H GLN A 75 10.714 -1.894 6.946 1.00 0.00 H new ATOM 0 HA GLN A 75 9.418 -0.691 4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 75 8.102 0.511 6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 75 8.239 -1.229 6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 75 10.490 -0.134 8.281 1.00 0.00 H new ATOM 0 HG3 GLN A 75 9.119 0.855 8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.230 -2.628 7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.672 -3.205 9.474 1.00 0.00 H new ATOM 1090 N GLN A 76 11.061 1.636 6.622 1.00 0.00 N ATOM 1091 CA GLN A 76 11.591 2.990 6.547 1.00 0.00 C ATOM 1092 C GLN A 76 12.234 3.232 5.188 1.00 0.00 C ATOM 1093 O GLN A 76 12.252 4.356 4.692 1.00 0.00 O ATOM 1094 CB GLN A 76 12.612 3.228 7.665 1.00 0.00 C ATOM 1095 CG GLN A 76 12.115 2.840 9.050 1.00 0.00 C ATOM 1096 CD GLN A 76 13.247 2.487 9.992 1.00 0.00 C ATOM 1097 OE1 GLN A 76 14.403 2.383 9.581 1.00 0.00 O ATOM 1098 NE2 GLN A 76 12.919 2.302 11.264 1.00 0.00 N ATOM 0 H GLN A 76 11.286 1.145 7.487 1.00 0.00 H new ATOM 0 HA GLN A 76 10.766 3.691 6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.517 2.662 7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.889 4.282 7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.540 3.665 9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.438 1.990 8.965 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.948 2.399 11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.638 2.063 11.947 1.00 0.00 H new ATOM 1107 N ARG A 77 12.751 2.165 4.588 1.00 0.00 N ATOM 1108 CA ARG A 77 13.386 2.260 3.281 1.00 0.00 C ATOM 1109 C ARG A 77 12.376 2.606 2.199 1.00 0.00 C ATOM 1110 O ARG A 77 12.605 3.501 1.386 1.00 0.00 O ATOM 1111 CB ARG A 77 14.065 0.947 2.908 1.00 0.00 C ATOM 1112 CG ARG A 77 14.824 1.028 1.592 1.00 0.00 C ATOM 1113 CD ARG A 77 14.126 0.255 0.484 1.00 0.00 C ATOM 1114 NE ARG A 77 14.195 0.968 -0.789 1.00 0.00 N ATOM 1115 CZ ARG A 77 14.228 0.373 -1.980 1.00 0.00 C ATOM 1116 NH1 ARG A 77 14.164 -0.946 -2.080 1.00 0.00 N ATOM 1117 NH2 ARG A 77 14.323 1.105 -3.080 1.00 0.00 N ATOM 0 H ARG A 77 12.742 1.226 4.986 1.00 0.00 H new ATOM 0 HA ARG A 77 14.130 3.054 3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 77 14.754 0.661 3.703 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.313 0.161 2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.927 2.072 1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.831 0.635 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.586 -0.727 0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.083 0.091 0.754 1.00 0.00 H new ATOM 0 HE ARG A 77 14.219 1.987 -0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.088 -1.518 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.190 -1.390 -2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.371 2.122 -3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.348 0.652 -3.993 1.00 0.00 H new ATOM 1131 N PHE A 78 11.257 1.888 2.189 1.00 0.00 N ATOM 1132 CA PHE A 78 10.212 2.117 1.203 1.00 0.00 C ATOM 1133 C PHE A 78 9.750 3.572 1.239 1.00 0.00 C ATOM 1134 O PHE A 78 9.767 4.264 0.222 1.00 0.00 O ATOM 1135 CB PHE A 78 9.033 1.176 1.459 1.00 0.00 C ATOM 1136 CG PHE A 78 9.020 -0.046 0.583 1.00 0.00 C ATOM 1137 CD1 PHE A 78 8.882 0.078 -0.787 1.00 0.00 C ATOM 1138 CD2 PHE A 78 9.140 -1.314 1.130 1.00 0.00 C ATOM 1139 CE1 PHE A 78 8.865 -1.042 -1.601 1.00 0.00 C ATOM 1140 CE2 PHE A 78 9.123 -2.438 0.323 1.00 0.00 C ATOM 1141 CZ PHE A 78 8.986 -2.301 -1.044 1.00 0.00 C ATOM 0 H PHE A 78 11.053 1.142 2.854 1.00 0.00 H new ATOM 0 HA PHE A 78 10.617 1.911 0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.053 0.861 2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.104 1.726 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.786 1.060 -1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 78 9.248 -1.426 2.199 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.757 -0.932 -2.670 1.00 0.00 H new ATOM 0 HE2 PHE A 78 9.217 -3.420 0.762 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.973 -3.176 -1.677 1.00 0.00 H new ATOM 1151 N THR A 79 9.349 4.033 2.422 1.00 0.00 N ATOM 1152 CA THR A 79 8.896 5.413 2.587 1.00 0.00 C ATOM 1153 C THR A 79 9.968 6.385 2.112 1.00 0.00 C ATOM 1154 O THR A 79 9.732 7.198 1.219 1.00 0.00 O ATOM 1155 CB THR A 79 8.554 5.709 4.053 1.00 0.00 C ATOM 1156 OG1 THR A 79 9.162 4.758 4.915 1.00 0.00 O ATOM 1157 CG2 THR A 79 7.062 5.721 4.335 1.00 0.00 C ATOM 0 H THR A 79 9.328 3.475 3.276 1.00 0.00 H new ATOM 0 HA THR A 79 7.997 5.541 1.984 1.00 0.00 H new ATOM 0 HB THR A 79 8.942 6.710 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.134 4.775 4.788 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.893 5.936 5.390 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.583 6.488 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.638 4.747 4.091 1.00 0.00 H new ATOM 1165 N GLN A 80 11.149 6.285 2.722 1.00 0.00 N ATOM 1166 CA GLN A 80 12.279 7.148 2.378 1.00 0.00 C ATOM 1167 C GLN A 80 12.373 7.354 0.867 1.00 0.00 C ATOM 1168 O GLN A 80 12.598 8.469 0.396 1.00 0.00 O ATOM 1169 CB GLN A 80 13.585 6.547 2.912 1.00 0.00 C ATOM 1170 CG GLN A 80 14.517 7.575 3.534 1.00 0.00 C ATOM 1171 CD GLN A 80 15.921 7.504 2.970 1.00 0.00 C ATOM 1172 OE1 GLN A 80 16.415 8.465 2.380 1.00 0.00 O ATOM 1173 NE2 GLN A 80 16.571 6.360 3.146 1.00 0.00 N ATOM 0 H GLN A 80 11.348 5.611 3.461 1.00 0.00 H new ATOM 0 HA GLN A 80 12.118 8.120 2.844 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.348 5.786 3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 80 14.104 6.044 2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.113 8.574 3.368 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.554 7.421 4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 80 16.122 5.590 3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 80 17.519 6.252 2.786 1.00 0.00 H new ATOM 1182 N VAL A 81 12.190 6.272 0.116 1.00 0.00 N ATOM 1183 CA VAL A 81 12.243 6.331 -1.338 1.00 0.00 C ATOM 1184 C VAL A 81 11.167 7.258 -1.893 1.00 0.00 C ATOM 1185 O VAL A 81 11.456 8.146 -2.697 1.00 0.00 O ATOM 1186 CB VAL A 81 12.079 4.931 -1.962 1.00 0.00 C ATOM 1187 CG1 VAL A 81 12.088 5.009 -3.482 1.00 0.00 C ATOM 1188 CG2 VAL A 81 13.172 3.999 -1.465 1.00 0.00 C ATOM 0 H VAL A 81 12.003 5.343 0.493 1.00 0.00 H new ATOM 0 HA VAL A 81 13.224 6.725 -1.604 1.00 0.00 H new ATOM 0 HB VAL A 81 11.114 4.529 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.971 4.008 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.266 5.641 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.034 5.434 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.043 3.014 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.147 4.400 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.112 3.913 -0.380 1.00 0.00 H new ATOM 1198 N SER A 82 9.927 7.052 -1.468 1.00 0.00 N ATOM 1199 CA SER A 82 8.829 7.883 -1.941 1.00 0.00 C ATOM 1200 C SER A 82 9.153 9.369 -1.747 1.00 0.00 C ATOM 1201 O SER A 82 9.000 10.166 -2.671 1.00 0.00 O ATOM 1202 CB SER A 82 7.525 7.499 -1.234 1.00 0.00 C ATOM 1203 OG SER A 82 7.314 8.276 -0.068 1.00 0.00 O ATOM 0 H SER A 82 9.659 6.325 -0.804 1.00 0.00 H new ATOM 0 HA SER A 82 8.695 7.710 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.687 7.633 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.553 6.442 -0.967 1.00 0.00 H new ATOM 0 HG SER A 82 6.530 7.937 0.413 1.00 0.00 H new ATOM 1209 N ASP A 83 9.594 9.738 -0.541 1.00 0.00 N ATOM 1210 CA ASP A 83 9.931 11.132 -0.243 1.00 0.00 C ATOM 1211 C ASP A 83 11.029 11.640 -1.173 1.00 0.00 C ATOM 1212 O ASP A 83 11.077 12.826 -1.503 1.00 0.00 O ATOM 1213 CB ASP A 83 10.386 11.284 1.219 1.00 0.00 C ATOM 1214 CG ASP A 83 10.247 12.709 1.728 1.00 0.00 C ATOM 1215 OD1 ASP A 83 9.526 13.502 1.086 1.00 0.00 O ATOM 1216 OD2 ASP A 83 10.861 13.033 2.768 1.00 0.00 O ATOM 0 H ASP A 83 9.725 9.095 0.240 1.00 0.00 H new ATOM 0 HA ASP A 83 9.032 11.728 -0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.798 10.618 1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.426 10.970 1.307 1.00 0.00 H new ATOM 1221 N GLU A 84 11.903 10.729 -1.594 1.00 0.00 N ATOM 1222 CA GLU A 84 13.009 11.073 -2.487 1.00 0.00 C ATOM 1223 C GLU A 84 12.494 11.634 -3.809 1.00 0.00 C ATOM 1224 O GLU A 84 12.863 12.738 -4.209 1.00 0.00 O ATOM 1225 CB GLU A 84 13.895 9.845 -2.746 1.00 0.00 C ATOM 1226 CG GLU A 84 15.387 10.158 -2.795 1.00 0.00 C ATOM 1227 CD GLU A 84 15.847 11.017 -1.633 1.00 0.00 C ATOM 1228 OE1 GLU A 84 15.648 10.600 -0.472 1.00 0.00 O ATOM 1229 OE2 GLU A 84 16.404 12.106 -1.883 1.00 0.00 O ATOM 0 H GLU A 84 11.867 9.744 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 84 13.606 11.843 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.714 9.107 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.599 9.388 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.949 9.224 -2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.616 10.668 -3.731 1.00 0.00 H new ATOM 1236 N LEU A 85 11.642 10.865 -4.481 1.00 0.00 N ATOM 1237 CA LEU A 85 11.080 11.286 -5.761 1.00 0.00 C ATOM 1238 C LEU A 85 9.982 12.329 -5.563 1.00 0.00 C ATOM 1239 O LEU A 85 10.046 13.422 -6.127 1.00 0.00 O ATOM 1240 CB LEU A 85 10.537 10.076 -6.526 1.00 0.00 C ATOM 1241 CG LEU A 85 9.506 9.235 -5.768 1.00 0.00 C ATOM 1242 CD1 LEU A 85 8.095 9.588 -6.216 1.00 0.00 C ATOM 1243 CD2 LEU A 85 9.774 7.750 -5.963 1.00 0.00 C ATOM 0 H LEU A 85 11.326 9.949 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 85 11.877 11.744 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.085 10.426 -7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.374 9.434 -6.801 1.00 0.00 H new ATOM 0 HG LEU A 85 9.596 9.461 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.376 8.980 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.904 10.643 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.993 9.394 -7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.030 7.171 -5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.716 7.506 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.769 7.508 -5.589 1.00 0.00 H new ATOM 1255 N PHE A 86 8.967 11.988 -4.768 1.00 0.00 N ATOM 1256 CA PHE A 86 7.852 12.892 -4.506 1.00 0.00 C ATOM 1257 C PHE A 86 8.313 14.205 -3.878 1.00 0.00 C ATOM 1258 O PHE A 86 7.529 15.140 -3.767 1.00 0.00 O ATOM 1259 CB PHE A 86 6.836 12.203 -3.594 1.00 0.00 C ATOM 1260 CG PHE A 86 5.796 13.124 -3.002 1.00 0.00 C ATOM 1261 CD1 PHE A 86 6.055 13.836 -1.837 1.00 0.00 C ATOM 1262 CD2 PHE A 86 4.553 13.269 -3.604 1.00 0.00 C ATOM 1263 CE1 PHE A 86 5.098 14.673 -1.290 1.00 0.00 C ATOM 1264 CE2 PHE A 86 3.595 14.104 -3.058 1.00 0.00 C ATOM 1265 CZ PHE A 86 3.867 14.806 -1.901 1.00 0.00 C ATOM 0 H PHE A 86 8.896 11.088 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 86 7.388 13.135 -5.462 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.330 11.422 -4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.371 11.711 -2.782 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.015 13.735 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.332 12.723 -4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.314 15.222 -0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.633 14.207 -3.538 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.119 15.458 -1.475 1.00 0.00 H new ATOM 1275 N GLN A 87 9.583 14.265 -3.468 1.00 0.00 N ATOM 1276 CA GLN A 87 10.154 15.465 -2.857 1.00 0.00 C ATOM 1277 C GLN A 87 9.675 16.739 -3.561 1.00 0.00 C ATOM 1278 O GLN A 87 10.380 17.295 -4.402 1.00 0.00 O ATOM 1279 CB GLN A 87 11.680 15.384 -2.920 1.00 0.00 C ATOM 1280 CG GLN A 87 12.388 16.488 -2.157 1.00 0.00 C ATOM 1281 CD GLN A 87 13.140 17.433 -3.073 1.00 0.00 C ATOM 1282 OE1 GLN A 87 12.605 18.455 -3.502 1.00 0.00 O ATOM 1283 NE2 GLN A 87 14.385 17.091 -3.381 1.00 0.00 N ATOM 0 H GLN A 87 10.239 13.488 -3.550 1.00 0.00 H new ATOM 0 HA GLN A 87 9.821 15.512 -1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.999 14.420 -2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.993 15.419 -3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.657 17.052 -1.578 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.085 16.045 -1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.787 16.234 -3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.940 17.685 -3.997 1.00 0.00 H new ATOM 1292 N GLY A 88 8.470 17.186 -3.217 1.00 0.00 N ATOM 1293 CA GLY A 88 7.911 18.380 -3.830 1.00 0.00 C ATOM 1294 C GLY A 88 7.097 18.070 -5.074 1.00 0.00 C ATOM 1295 O GLY A 88 7.054 18.865 -6.013 1.00 0.00 O ATOM 0 H GLY A 88 7.869 16.742 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.279 18.894 -3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.719 19.063 -4.090 1.00 0.00 H new ATOM 1299 N GLY A 89 6.446 16.911 -5.073 1.00 0.00 N ATOM 1300 CA GLY A 89 5.632 16.509 -6.204 1.00 0.00 C ATOM 1301 C GLY A 89 4.181 16.295 -5.821 1.00 0.00 C ATOM 1302 O GLY A 89 3.783 15.178 -5.494 1.00 0.00 O ATOM 0 H GLY A 89 6.469 16.241 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.692 17.271 -6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.033 15.589 -6.629 1.00 0.00 H new ATOM 1306 N PRO A 90 3.360 17.356 -5.857 1.00 0.00 N ATOM 1307 CA PRO A 90 1.934 17.274 -5.511 1.00 0.00 C ATOM 1308 C PRO A 90 1.106 16.575 -6.579 1.00 0.00 C ATOM 1309 O PRO A 90 -0.049 16.931 -6.809 1.00 0.00 O ATOM 1310 CB PRO A 90 1.515 18.736 -5.414 1.00 0.00 C ATOM 1311 CG PRO A 90 2.448 19.454 -6.325 1.00 0.00 C ATOM 1312 CD PRO A 90 3.756 18.722 -6.240 1.00 0.00 C ATOM 0 HA PRO A 90 1.777 16.695 -4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 90 0.478 18.873 -5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.596 19.105 -4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.069 19.458 -7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.563 20.495 -6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.286 18.734 -7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.420 19.170 -5.500 1.00 0.00 H new ATOM 1320 N ASN A 91 1.696 15.584 -7.231 1.00 0.00 N ATOM 1321 CA ASN A 91 0.999 14.852 -8.269 1.00 0.00 C ATOM 1322 C ASN A 91 0.274 13.658 -7.686 1.00 0.00 C ATOM 1323 O ASN A 91 0.594 13.187 -6.594 1.00 0.00 O ATOM 1324 CB ASN A 91 1.974 14.395 -9.352 1.00 0.00 C ATOM 1325 CG ASN A 91 2.937 15.489 -9.768 1.00 0.00 C ATOM 1326 OD1 ASN A 91 2.471 16.733 -9.745 1.00 0.00 O flip ATOM 1327 ND2 ASN A 91 4.087 15.218 -10.107 1.00 0.00 N flip ATOM 0 H ASN A 91 2.652 15.272 -7.058 1.00 0.00 H new ATOM 0 HA ASN A 91 0.265 15.520 -8.719 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.540 13.537 -8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 91 1.412 14.060 -10.224 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.403 14.248 -10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.726 15.963 -10.386 1.00 0.00 H new ATOM 1334 N TRP A 92 -0.703 13.179 -8.424 1.00 0.00 N ATOM 1335 CA TRP A 92 -1.490 12.038 -7.995 1.00 0.00 C ATOM 1336 C TRP A 92 -0.680 10.747 -8.108 1.00 0.00 C ATOM 1337 O TRP A 92 -0.931 9.777 -7.390 1.00 0.00 O ATOM 1338 CB TRP A 92 -2.774 11.940 -8.817 1.00 0.00 C ATOM 1339 CG TRP A 92 -3.041 13.140 -9.686 1.00 0.00 C ATOM 1340 CD1 TRP A 92 -3.478 14.373 -9.280 1.00 0.00 C ATOM 1341 CD2 TRP A 92 -2.877 13.223 -11.107 1.00 0.00 C ATOM 1342 NE1 TRP A 92 -3.615 15.205 -10.363 1.00 0.00 N ATOM 1343 CE2 TRP A 92 -3.246 14.525 -11.493 1.00 0.00 C ATOM 1344 CE3 TRP A 92 -2.459 12.322 -12.092 1.00 0.00 C ATOM 1345 CZ2 TRP A 92 -3.209 14.948 -12.819 1.00 0.00 C ATOM 1346 CZ3 TRP A 92 -2.421 12.744 -13.406 1.00 0.00 C ATOM 1347 CH2 TRP A 92 -2.792 14.047 -13.759 1.00 0.00 C ATOM 0 H TRP A 92 -0.974 13.563 -9.329 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.758 12.179 -6.948 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.722 11.053 -9.448 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -3.617 11.801 -8.140 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -3.685 14.650 -8.257 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.939 16.172 -10.331 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -2.171 11.315 -11.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.499 15.951 -13.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.100 12.057 -14.175 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.748 14.347 -14.796 1.00 0.00 H new ATOM 1358 N GLY A 93 0.292 10.745 -9.017 1.00 0.00 N ATOM 1359 CA GLY A 93 1.127 9.574 -9.213 1.00 0.00 C ATOM 1360 C GLY A 93 1.601 8.975 -7.899 1.00 0.00 C ATOM 1361 O GLY A 93 1.593 7.756 -7.728 1.00 0.00 O ATOM 0 H GLY A 93 0.516 11.535 -9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.569 8.822 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.992 9.845 -9.819 1.00 0.00 H new ATOM 1365 N ARG A 94 2.004 9.836 -6.966 1.00 0.00 N ATOM 1366 CA ARG A 94 2.471 9.386 -5.659 1.00 0.00 C ATOM 1367 C ARG A 94 1.316 8.846 -4.827 1.00 0.00 C ATOM 1368 O ARG A 94 1.497 7.957 -3.996 1.00 0.00 O ATOM 1369 CB ARG A 94 3.148 10.536 -4.911 1.00 0.00 C ATOM 1370 CG ARG A 94 4.165 10.075 -3.881 1.00 0.00 C ATOM 1371 CD ARG A 94 3.529 9.841 -2.521 1.00 0.00 C ATOM 1372 NE ARG A 94 3.142 11.093 -1.874 1.00 0.00 N ATOM 1373 CZ ARG A 94 1.880 11.445 -1.628 1.00 0.00 C ATOM 1374 NH1 ARG A 94 0.873 10.674 -2.016 1.00 0.00 N ATOM 1375 NH2 ARG A 94 1.624 12.580 -0.998 1.00 0.00 N ATOM 0 H ARG A 94 2.016 10.848 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 94 3.193 8.585 -5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.643 11.186 -5.632 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.385 11.134 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.637 9.154 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.953 10.822 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.651 9.206 -2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.229 9.304 -1.881 1.00 0.00 H new ATOM 0 HE ARG A 94 3.882 11.736 -1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.060 9.801 -2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.088 10.954 -1.822 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.391 13.183 -0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.659 12.852 -0.809 1.00 0.00 H new ATOM 1389 N LEU A 95 0.128 9.392 -5.050 1.00 0.00 N ATOM 1390 CA LEU A 95 -1.047 8.961 -4.307 1.00 0.00 C ATOM 1391 C LEU A 95 -1.304 7.470 -4.499 1.00 0.00 C ATOM 1392 O LEU A 95 -1.339 6.713 -3.534 1.00 0.00 O ATOM 1393 CB LEU A 95 -2.288 9.767 -4.707 1.00 0.00 C ATOM 1394 CG LEU A 95 -2.708 10.833 -3.700 1.00 0.00 C ATOM 1395 CD1 LEU A 95 -2.977 10.205 -2.343 1.00 0.00 C ATOM 1396 CD2 LEU A 95 -1.637 11.903 -3.591 1.00 0.00 C ATOM 0 H LEU A 95 -0.046 10.128 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.846 9.144 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.098 10.248 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.120 9.078 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.629 11.300 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.275 10.979 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.776 9.470 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.072 9.715 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.949 12.658 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.702 11.450 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.490 12.371 -4.564 1.00 0.00 H new ATOM 1408 N VAL A 96 -1.487 7.053 -5.746 1.00 0.00 N ATOM 1409 CA VAL A 96 -1.752 5.652 -6.044 1.00 0.00 C ATOM 1410 C VAL A 96 -0.550 4.766 -5.717 1.00 0.00 C ATOM 1411 O VAL A 96 -0.707 3.667 -5.183 1.00 0.00 O ATOM 1412 CB VAL A 96 -2.156 5.467 -7.521 1.00 0.00 C ATOM 1413 CG1 VAL A 96 -2.498 4.015 -7.803 1.00 0.00 C ATOM 1414 CG2 VAL A 96 -3.332 6.369 -7.869 1.00 0.00 C ATOM 0 H VAL A 96 -1.457 7.662 -6.563 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.583 5.343 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.309 5.748 -8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.781 3.904 -8.850 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.630 3.389 -7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.329 3.707 -7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.604 6.225 -8.915 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.183 6.118 -7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.053 7.410 -7.706 1.00 0.00 H new ATOM 1424 N ALA A 97 0.650 5.244 -6.032 1.00 0.00 N ATOM 1425 CA ALA A 97 1.862 4.479 -5.760 1.00 0.00 C ATOM 1426 C ALA A 97 2.109 4.350 -4.262 1.00 0.00 C ATOM 1427 O ALA A 97 1.979 3.266 -3.692 1.00 0.00 O ATOM 1428 CB ALA A 97 3.066 5.117 -6.439 1.00 0.00 C ATOM 0 H ALA A 97 0.809 6.150 -6.472 1.00 0.00 H new ATOM 0 HA ALA A 97 1.720 3.479 -6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.959 4.530 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.903 5.146 -7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.199 6.132 -6.065 1.00 0.00 H new ATOM 1434 N PHE A 98 2.471 5.461 -3.634 1.00 0.00 N ATOM 1435 CA PHE A 98 2.745 5.486 -2.199 1.00 0.00 C ATOM 1436 C PHE A 98 1.683 4.717 -1.415 1.00 0.00 C ATOM 1437 O PHE A 98 1.980 4.107 -0.387 1.00 0.00 O ATOM 1438 CB PHE A 98 2.812 6.933 -1.712 1.00 0.00 C ATOM 1439 CG PHE A 98 3.035 7.071 -0.237 1.00 0.00 C ATOM 1440 CD1 PHE A 98 2.005 6.831 0.656 1.00 0.00 C ATOM 1441 CD2 PHE A 98 4.272 7.453 0.254 1.00 0.00 C ATOM 1442 CE1 PHE A 98 2.206 6.968 2.016 1.00 0.00 C ATOM 1443 CE2 PHE A 98 4.479 7.589 1.610 1.00 0.00 C ATOM 1444 CZ PHE A 98 3.448 7.349 2.492 1.00 0.00 C ATOM 0 H PHE A 98 2.583 6.363 -4.097 1.00 0.00 H new ATOM 0 HA PHE A 98 3.705 4.998 -2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.616 7.446 -2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.883 7.438 -1.977 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.035 6.534 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.083 7.646 -0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.396 6.778 2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.449 7.884 1.981 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.609 7.458 3.554 1.00 0.00 H new ATOM 1454 N PHE A 99 0.449 4.746 -1.908 1.00 0.00 N ATOM 1455 CA PHE A 99 -0.650 4.048 -1.250 1.00 0.00 C ATOM 1456 C PHE A 99 -0.401 2.550 -1.226 1.00 0.00 C ATOM 1457 O PHE A 99 -0.308 1.941 -0.160 1.00 0.00 O ATOM 1458 CB PHE A 99 -1.973 4.332 -1.959 1.00 0.00 C ATOM 1459 CG PHE A 99 -3.176 4.157 -1.080 1.00 0.00 C ATOM 1460 CD1 PHE A 99 -3.330 4.919 0.066 1.00 0.00 C ATOM 1461 CD2 PHE A 99 -4.156 3.232 -1.404 1.00 0.00 C ATOM 1462 CE1 PHE A 99 -4.440 4.763 0.874 1.00 0.00 C ATOM 1463 CE2 PHE A 99 -5.267 3.072 -0.600 1.00 0.00 C ATOM 1464 CZ PHE A 99 -5.410 3.838 0.540 1.00 0.00 C ATOM 0 H PHE A 99 0.185 5.244 -2.758 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.708 4.415 -0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.959 5.353 -2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.063 3.670 -2.820 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.574 5.643 0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.050 2.630 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.549 5.363 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.024 2.348 -0.863 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.279 3.714 1.169 1.00 0.00 H new ATOM 1474 N VAL A 100 -0.293 1.956 -2.409 1.00 0.00 N ATOM 1475 CA VAL A 100 -0.056 0.524 -2.513 1.00 0.00 C ATOM 1476 C VAL A 100 1.108 0.101 -1.633 1.00 0.00 C ATOM 1477 O VAL A 100 1.109 -0.993 -1.077 1.00 0.00 O ATOM 1478 CB VAL A 100 0.216 0.075 -3.965 1.00 0.00 C ATOM 1479 CG1 VAL A 100 1.468 0.735 -4.528 1.00 0.00 C ATOM 1480 CG2 VAL A 100 0.328 -1.442 -4.037 1.00 0.00 C ATOM 0 H VAL A 100 -0.365 2.441 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.970 0.037 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.627 0.394 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.629 0.396 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.344 1.818 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.329 0.464 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.520 -1.744 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.148 -1.777 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.604 -1.892 -3.694 1.00 0.00 H new ATOM 1490 N PHE A 101 2.097 0.975 -1.503 1.00 0.00 N ATOM 1491 CA PHE A 101 3.258 0.677 -0.685 1.00 0.00 C ATOM 1492 C PHE A 101 2.838 0.461 0.769 1.00 0.00 C ATOM 1493 O PHE A 101 2.808 -0.671 1.253 1.00 0.00 O ATOM 1494 CB PHE A 101 4.299 1.803 -0.800 1.00 0.00 C ATOM 1495 CG PHE A 101 4.940 2.154 0.506 1.00 0.00 C ATOM 1496 CD1 PHE A 101 5.660 1.204 1.204 1.00 0.00 C ATOM 1497 CD2 PHE A 101 4.789 3.416 1.053 1.00 0.00 C ATOM 1498 CE1 PHE A 101 6.218 1.503 2.427 1.00 0.00 C ATOM 1499 CE2 PHE A 101 5.351 3.724 2.273 1.00 0.00 C ATOM 1500 CZ PHE A 101 6.066 2.762 2.963 1.00 0.00 C ATOM 0 H PHE A 101 2.116 1.891 -1.952 1.00 0.00 H new ATOM 0 HA PHE A 101 3.718 -0.243 -1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.072 1.502 -1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.819 2.691 -1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.787 0.216 0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.225 4.167 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.775 0.750 2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.233 4.714 2.689 1.00 0.00 H new ATOM 0 HZ PHE A 101 6.505 2.998 3.921 1.00 0.00 H new ATOM 1510 N GLY A 102 2.519 1.553 1.463 1.00 0.00 N ATOM 1511 CA GLY A 102 2.112 1.459 2.848 1.00 0.00 C ATOM 1512 C GLY A 102 1.087 0.367 3.084 1.00 0.00 C ATOM 1513 O GLY A 102 1.229 -0.428 4.007 1.00 0.00 O ATOM 0 H GLY A 102 2.537 2.501 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.988 1.269 3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.698 2.416 3.166 1.00 0.00 H new ATOM 1517 N ALA A 103 0.052 0.332 2.251 1.00 0.00 N ATOM 1518 CA ALA A 103 -1.003 -0.668 2.380 1.00 0.00 C ATOM 1519 C ALA A 103 -0.477 -2.085 2.153 1.00 0.00 C ATOM 1520 O ALA A 103 -0.471 -2.903 3.073 1.00 0.00 O ATOM 1521 CB ALA A 103 -2.144 -0.359 1.420 1.00 0.00 C ATOM 0 H ALA A 103 -0.079 0.985 1.479 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.378 -0.622 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.924 -1.113 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.556 0.624 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.770 -0.366 0.396 1.00 0.00 H new ATOM 1527 N ALA A 104 -0.041 -2.380 0.930 1.00 0.00 N ATOM 1528 CA ALA A 104 0.475 -3.712 0.609 1.00 0.00 C ATOM 1529 C ALA A 104 1.525 -4.163 1.626 1.00 0.00 C ATOM 1530 O ALA A 104 1.406 -5.237 2.217 1.00 0.00 O ATOM 1531 CB ALA A 104 1.055 -3.744 -0.798 1.00 0.00 C ATOM 0 H ALA A 104 -0.034 -1.722 0.150 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.363 -4.408 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.432 -4.744 -1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.278 -3.486 -1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.871 -3.025 -0.872 1.00 0.00 H new ATOM 1537 N LEU A 105 2.549 -3.333 1.829 1.00 0.00 N ATOM 1538 CA LEU A 105 3.617 -3.643 2.779 1.00 0.00 C ATOM 1539 C LEU A 105 3.043 -3.976 4.147 1.00 0.00 C ATOM 1540 O LEU A 105 3.173 -5.104 4.628 1.00 0.00 O ATOM 1541 CB LEU A 105 4.588 -2.464 2.898 1.00 0.00 C ATOM 1542 CG LEU A 105 5.916 -2.783 3.591 1.00 0.00 C ATOM 1543 CD1 LEU A 105 6.955 -1.730 3.253 1.00 0.00 C ATOM 1544 CD2 LEU A 105 5.733 -2.874 5.099 1.00 0.00 C ATOM 0 H LEU A 105 2.661 -2.441 1.348 1.00 0.00 H new ATOM 0 HA LEU A 105 4.157 -4.513 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.800 -2.085 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.094 -1.661 3.445 1.00 0.00 H new ATOM 0 HG LEU A 105 6.264 -3.750 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.893 -1.971 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.114 -1.708 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 105 6.606 -0.753 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.690 -3.101 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.360 -1.923 5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.018 -3.663 5.332 1.00 0.00 H new ATOM 1556 N CYS A 106 2.418 -2.981 4.777 1.00 0.00 N ATOM 1557 CA CYS A 106 1.827 -3.155 6.101 1.00 0.00 C ATOM 1558 C CYS A 106 1.143 -4.512 6.214 1.00 0.00 C ATOM 1559 O CYS A 106 1.425 -5.283 7.128 1.00 0.00 O ATOM 1560 CB CYS A 106 0.820 -2.037 6.388 1.00 0.00 C ATOM 1561 SG CYS A 106 1.284 -0.963 7.764 1.00 0.00 S ATOM 0 H CYS A 106 2.309 -2.044 4.389 1.00 0.00 H new ATOM 0 HA CYS A 106 2.629 -3.108 6.838 1.00 0.00 H new ATOM 0 HB2 CYS A 106 0.702 -1.430 5.491 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.151 -2.483 6.601 1.00 0.00 H new ATOM 0 HG CYS A 106 0.374 -0.049 7.928 1.00 0.00 H new ATOM 1567 N ALA A 107 0.253 -4.798 5.268 1.00 0.00 N ATOM 1568 CA ALA A 107 -0.462 -6.066 5.251 1.00 0.00 C ATOM 1569 C ALA A 107 0.507 -7.240 5.351 1.00 0.00 C ATOM 1570 O ALA A 107 0.364 -8.106 6.213 1.00 0.00 O ATOM 1571 CB ALA A 107 -1.305 -6.178 3.990 1.00 0.00 C ATOM 0 H ALA A 107 0.011 -4.167 4.504 1.00 0.00 H new ATOM 0 HA ALA A 107 -1.122 -6.098 6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.834 -7.131 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.027 -5.362 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.659 -6.122 3.114 1.00 0.00 H new ATOM 1577 N GLU A 108 1.498 -7.255 4.464 1.00 0.00 N ATOM 1578 CA GLU A 108 2.498 -8.320 4.453 1.00 0.00 C ATOM 1579 C GLU A 108 3.051 -8.560 5.852 1.00 0.00 C ATOM 1580 O GLU A 108 3.164 -9.700 6.302 1.00 0.00 O ATOM 1581 CB GLU A 108 3.645 -7.969 3.504 1.00 0.00 C ATOM 1582 CG GLU A 108 4.603 -9.124 3.263 1.00 0.00 C ATOM 1583 CD GLU A 108 4.573 -9.618 1.830 1.00 0.00 C ATOM 1584 OE1 GLU A 108 3.500 -9.530 1.197 1.00 0.00 O ATOM 1585 OE2 GLU A 108 5.620 -10.091 1.342 1.00 0.00 O ATOM 0 H GLU A 108 1.631 -6.544 3.745 1.00 0.00 H new ATOM 0 HA GLU A 108 2.011 -9.231 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.231 -7.645 2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.200 -7.125 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.616 -8.809 3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.350 -9.946 3.932 1.00 0.00 H new ATOM 1592 N SER A 109 3.395 -7.473 6.531 1.00 0.00 N ATOM 1593 CA SER A 109 3.940 -7.550 7.880 1.00 0.00 C ATOM 1594 C SER A 109 2.870 -7.966 8.890 1.00 0.00 C ATOM 1595 O SER A 109 3.188 -8.464 9.970 1.00 0.00 O ATOM 1596 CB SER A 109 4.538 -6.199 8.274 1.00 0.00 C ATOM 1597 OG SER A 109 5.542 -6.350 9.259 1.00 0.00 O ATOM 0 H SER A 109 3.306 -6.524 6.168 1.00 0.00 H new ATOM 0 HA SER A 109 4.721 -8.310 7.889 1.00 0.00 H new ATOM 0 HB2 SER A 109 4.959 -5.714 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 109 3.751 -5.546 8.651 1.00 0.00 H new ATOM 0 HG SER A 109 5.908 -5.471 9.491 1.00 0.00 H new ATOM 1603 N VAL A 110 1.604 -7.762 8.532 1.00 0.00 N ATOM 1604 CA VAL A 110 0.494 -8.120 9.413 1.00 0.00 C ATOM 1605 C VAL A 110 0.354 -9.638 9.537 1.00 0.00 C ATOM 1606 O VAL A 110 0.537 -10.198 10.617 1.00 0.00 O ATOM 1607 CB VAL A 110 -0.840 -7.524 8.910 1.00 0.00 C ATOM 1608 CG1 VAL A 110 -2.000 -7.964 9.791 1.00 0.00 C ATOM 1609 CG2 VAL A 110 -0.759 -6.007 8.858 1.00 0.00 C ATOM 0 H VAL A 110 1.322 -7.352 7.642 1.00 0.00 H new ATOM 0 HA VAL A 110 0.720 -7.701 10.394 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.019 -7.898 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.927 -7.531 9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.076 -9.051 9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.829 -7.626 10.813 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.707 -5.604 8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.552 -5.619 9.855 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.040 -5.708 8.180 1.00 0.00 H new ATOM 1619 N ASN A 111 0.013 -10.294 8.430 1.00 0.00 N ATOM 1620 CA ASN A 111 -0.167 -11.747 8.419 1.00 0.00 C ATOM 1621 C ASN A 111 0.988 -12.464 9.116 1.00 0.00 C ATOM 1622 O ASN A 111 0.786 -13.470 9.795 1.00 0.00 O ATOM 1623 CB ASN A 111 -0.303 -12.258 6.984 1.00 0.00 C ATOM 1624 CG ASN A 111 -1.723 -12.672 6.654 1.00 0.00 C ATOM 1625 OD1 ASN A 111 -2.382 -12.057 5.815 1.00 0.00 O ATOM 1626 ND2 ASN A 111 -2.205 -13.717 7.318 1.00 0.00 N ATOM 0 H ASN A 111 -0.145 -9.844 7.528 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.082 -11.966 8.969 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.016 -11.479 6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.364 -13.108 6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.156 -14.039 7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.624 -14.197 8.005 1.00 0.00 H new ATOM 1633 N LYS A 112 2.197 -11.939 8.945 1.00 0.00 N ATOM 1634 CA LYS A 112 3.384 -12.529 9.558 1.00 0.00 C ATOM 1635 C LYS A 112 3.456 -12.220 11.056 1.00 0.00 C ATOM 1636 O LYS A 112 4.480 -12.463 11.696 1.00 0.00 O ATOM 1637 CB LYS A 112 4.645 -12.021 8.856 1.00 0.00 C ATOM 1638 CG LYS A 112 5.823 -12.977 8.943 1.00 0.00 C ATOM 1639 CD LYS A 112 6.987 -12.494 8.092 1.00 0.00 C ATOM 1640 CE LYS A 112 8.230 -13.340 8.311 1.00 0.00 C ATOM 1641 NZ LYS A 112 9.285 -13.042 7.304 1.00 0.00 N ATOM 0 H LYS A 112 2.382 -11.106 8.387 1.00 0.00 H new ATOM 0 HA LYS A 112 3.317 -13.611 9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.416 -11.836 7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.932 -11.065 9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.142 -13.071 9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.515 -13.969 8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.706 -12.525 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.207 -11.454 8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.621 -13.159 9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.965 -14.396 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.117 -13.639 7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.920 -13.239 6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.556 -12.040 7.371 1.00 0.00 H new ATOM 1655 N GLU A 113 2.367 -11.688 11.612 1.00 0.00 N ATOM 1656 CA GLU A 113 2.313 -11.357 13.031 1.00 0.00 C ATOM 1657 C GLU A 113 3.378 -10.330 13.396 1.00 0.00 C ATOM 1658 O GLU A 113 3.825 -10.265 14.541 1.00 0.00 O ATOM 1659 CB GLU A 113 2.495 -12.618 13.883 1.00 0.00 C ATOM 1660 CG GLU A 113 1.828 -13.860 13.306 1.00 0.00 C ATOM 1661 CD GLU A 113 0.374 -13.982 13.713 1.00 0.00 C ATOM 1662 OE1 GLU A 113 -0.222 -12.956 14.100 1.00 0.00 O ATOM 1663 OE2 GLU A 113 -0.170 -15.105 13.646 1.00 0.00 O ATOM 0 H GLU A 113 1.511 -11.478 11.098 1.00 0.00 H new ATOM 0 HA GLU A 113 1.333 -10.926 13.235 1.00 0.00 H new ATOM 0 HB2 GLU A 113 3.561 -12.813 14.001 1.00 0.00 H new ATOM 0 HB3 GLU A 113 2.093 -12.432 14.879 1.00 0.00 H new ATOM 0 HG2 GLU A 113 1.896 -13.833 12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 113 2.370 -14.746 13.637 1.00 0.00 H new ATOM 1670 N MET A 114 3.787 -9.533 12.417 1.00 0.00 N ATOM 1671 CA MET A 114 4.806 -8.516 12.642 1.00 0.00 C ATOM 1672 C MET A 114 4.179 -7.128 12.780 1.00 0.00 C ATOM 1673 O MET A 114 4.579 -6.184 12.101 1.00 0.00 O ATOM 1674 CB MET A 114 5.822 -8.534 11.496 1.00 0.00 C ATOM 1675 CG MET A 114 7.241 -8.845 11.946 1.00 0.00 C ATOM 1676 SD MET A 114 7.943 -10.284 11.116 1.00 0.00 S ATOM 1677 CE MET A 114 8.266 -9.618 9.485 1.00 0.00 C ATOM 0 H MET A 114 3.430 -9.571 11.462 1.00 0.00 H new ATOM 0 HA MET A 114 5.319 -8.744 13.576 1.00 0.00 H new ATOM 0 HB2 MET A 114 5.513 -9.275 10.759 1.00 0.00 H new ATOM 0 HB3 MET A 114 5.812 -7.565 10.997 1.00 0.00 H new ATOM 0 HG2 MET A 114 7.875 -7.978 11.757 1.00 0.00 H new ATOM 0 HG3 MET A 114 7.246 -9.015 13.023 1.00 0.00 H new ATOM 0 HE1 MET A 114 8.875 -10.322 8.919 1.00 0.00 H new ATOM 0 HE2 MET A 114 7.322 -9.455 8.965 1.00 0.00 H new ATOM 0 HE3 MET A 114 8.798 -8.671 9.577 1.00 0.00 H new ATOM 1687 N GLU A 115 3.193 -7.018 13.668 1.00 0.00 N ATOM 1688 CA GLU A 115 2.500 -5.750 13.904 1.00 0.00 C ATOM 1689 C GLU A 115 3.442 -4.700 14.490 1.00 0.00 C ATOM 1690 O GLU A 115 3.266 -3.502 14.264 1.00 0.00 O ATOM 1691 CB GLU A 115 1.313 -5.965 14.845 1.00 0.00 C ATOM 1692 CG GLU A 115 -0.013 -6.149 14.123 1.00 0.00 C ATOM 1693 CD GLU A 115 -0.678 -4.832 13.771 1.00 0.00 C ATOM 1694 OE1 GLU A 115 -0.037 -3.775 13.949 1.00 0.00 O ATOM 1695 OE2 GLU A 115 -1.842 -4.858 13.318 1.00 0.00 O ATOM 0 H GLU A 115 2.854 -7.793 14.238 1.00 0.00 H new ATOM 0 HA GLU A 115 2.139 -5.384 12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.505 -6.842 15.463 1.00 0.00 H new ATOM 0 HB3 GLU A 115 1.235 -5.111 15.518 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.152 -6.723 13.211 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -0.685 -6.734 14.751 1.00 0.00 H new ATOM 1702 N VAL A 116 4.439 -5.158 15.244 1.00 0.00 N ATOM 1703 CA VAL A 116 5.415 -4.260 15.866 1.00 0.00 C ATOM 1704 C VAL A 116 5.811 -3.137 14.912 1.00 0.00 C ATOM 1705 O VAL A 116 5.618 -1.956 15.202 1.00 0.00 O ATOM 1706 CB VAL A 116 6.688 -5.020 16.281 1.00 0.00 C ATOM 1707 CG1 VAL A 116 7.674 -4.085 16.967 1.00 0.00 C ATOM 1708 CG2 VAL A 116 6.341 -6.198 17.179 1.00 0.00 C ATOM 0 H VAL A 116 4.594 -6.147 15.440 1.00 0.00 H new ATOM 0 HA VAL A 116 4.938 -3.839 16.751 1.00 0.00 H new ATOM 0 HB VAL A 116 7.163 -5.409 15.381 1.00 0.00 H new ATOM 0 HG11 VAL A 116 8.566 -4.643 17.252 1.00 0.00 H new ATOM 0 HG12 VAL A 116 7.951 -3.283 16.283 1.00 0.00 H new ATOM 0 HG13 VAL A 116 7.212 -3.659 17.858 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.254 -6.722 17.461 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.838 -5.836 18.076 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.681 -6.881 16.644 1.00 0.00 H new ATOM 1718 N LEU A 117 6.366 -3.527 13.774 1.00 0.00 N ATOM 1719 CA LEU A 117 6.798 -2.579 12.761 1.00 0.00 C ATOM 1720 C LEU A 117 5.602 -1.934 12.062 1.00 0.00 C ATOM 1721 O LEU A 117 5.649 -0.764 11.686 1.00 0.00 O ATOM 1722 CB LEU A 117 7.687 -3.290 11.741 1.00 0.00 C ATOM 1723 CG LEU A 117 8.981 -3.891 12.307 1.00 0.00 C ATOM 1724 CD1 LEU A 117 9.139 -5.341 11.870 1.00 0.00 C ATOM 1725 CD2 LEU A 117 10.192 -3.073 11.879 1.00 0.00 C ATOM 0 H LEU A 117 6.528 -4.504 13.529 1.00 0.00 H new ATOM 0 HA LEU A 117 7.366 -1.786 13.248 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.109 -4.087 11.273 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.948 -2.582 10.955 1.00 0.00 H new ATOM 0 HG LEU A 117 8.916 -3.864 13.395 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.063 -5.747 12.283 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.293 -5.925 12.232 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.175 -5.391 10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 117 11.097 -3.519 12.292 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.257 -3.062 10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 117 10.090 -2.052 12.247 1.00 0.00 H new ATOM 1737 N VAL A 118 4.529 -2.704 11.893 1.00 0.00 N ATOM 1738 CA VAL A 118 3.318 -2.209 11.239 1.00 0.00 C ATOM 1739 C VAL A 118 2.896 -0.850 11.802 1.00 0.00 C ATOM 1740 O VAL A 118 2.959 0.164 11.107 1.00 0.00 O ATOM 1741 CB VAL A 118 2.157 -3.218 11.384 1.00 0.00 C ATOM 1742 CG1 VAL A 118 0.825 -2.607 10.966 1.00 0.00 C ATOM 1743 CG2 VAL A 118 2.446 -4.467 10.568 1.00 0.00 C ATOM 0 H VAL A 118 4.473 -3.675 12.200 1.00 0.00 H new ATOM 0 HA VAL A 118 3.550 -2.089 10.181 1.00 0.00 H new ATOM 0 HB VAL A 118 2.078 -3.488 12.437 1.00 0.00 H new ATOM 0 HG11 VAL A 118 0.033 -3.347 11.082 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.609 -1.742 11.593 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.879 -2.294 9.923 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.622 -5.172 10.677 1.00 0.00 H new ATOM 0 HG22 VAL A 118 2.557 -4.198 9.518 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.367 -4.929 10.923 1.00 0.00 H new ATOM 1753 N GLY A 119 2.467 -0.835 13.063 1.00 0.00 N ATOM 1754 CA GLY A 119 2.044 0.407 13.689 1.00 0.00 C ATOM 1755 C GLY A 119 3.054 1.530 13.513 1.00 0.00 C ATOM 1756 O GLY A 119 2.699 2.708 13.565 1.00 0.00 O ATOM 0 H GLY A 119 2.405 -1.659 13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.088 0.715 13.265 1.00 0.00 H new ATOM 0 HA3 GLY A 119 1.881 0.235 14.753 1.00 0.00 H new ATOM 1760 N GLN A 120 4.312 1.160 13.296 1.00 0.00 N ATOM 1761 CA GLN A 120 5.381 2.137 13.107 1.00 0.00 C ATOM 1762 C GLN A 120 5.328 2.748 11.709 1.00 0.00 C ATOM 1763 O GLN A 120 5.493 3.957 11.543 1.00 0.00 O ATOM 1764 CB GLN A 120 6.742 1.477 13.331 1.00 0.00 C ATOM 1765 CG GLN A 120 7.874 2.471 13.528 1.00 0.00 C ATOM 1766 CD GLN A 120 8.106 2.808 14.987 1.00 0.00 C ATOM 1767 OE1 GLN A 120 7.177 3.173 15.707 1.00 0.00 O ATOM 1768 NE2 GLN A 120 9.352 2.689 15.432 1.00 0.00 N ATOM 0 H GLN A 120 4.618 0.188 13.246 1.00 0.00 H new ATOM 0 HA GLN A 120 5.240 2.935 13.836 1.00 0.00 H new ATOM 0 HB2 GLN A 120 6.683 0.828 14.205 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.973 0.840 12.477 1.00 0.00 H new ATOM 0 HG2 GLN A 120 8.790 2.061 13.103 1.00 0.00 H new ATOM 0 HG3 GLN A 120 7.649 3.385 12.979 1.00 0.00 H new ATOM 0 HE21 GLN A 120 10.092 2.383 14.800 1.00 0.00 H new ATOM 0 HE22 GLN A 120 9.569 2.904 16.405 1.00 0.00 H new ATOM 1777 N VAL A 121 5.103 1.907 10.706 1.00 0.00 N ATOM 1778 CA VAL A 121 5.035 2.371 9.326 1.00 0.00 C ATOM 1779 C VAL A 121 3.846 3.299 9.113 1.00 0.00 C ATOM 1780 O VAL A 121 3.968 4.345 8.475 1.00 0.00 O ATOM 1781 CB VAL A 121 4.937 1.195 8.336 1.00 0.00 C ATOM 1782 CG1 VAL A 121 5.063 1.693 6.903 1.00 0.00 C ATOM 1783 CG2 VAL A 121 5.999 0.149 8.639 1.00 0.00 C ATOM 0 H VAL A 121 4.965 0.903 10.822 1.00 0.00 H new ATOM 0 HA VAL A 121 5.958 2.918 9.136 1.00 0.00 H new ATOM 0 HB VAL A 121 3.959 0.728 8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.992 0.849 6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.262 2.401 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.026 2.186 6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.913 -0.673 7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.988 0.599 8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.858 -0.230 9.651 1.00 0.00 H new ATOM 1793 N GLN A 122 2.692 2.915 9.648 1.00 0.00 N ATOM 1794 CA GLN A 122 1.488 3.721 9.508 1.00 0.00 C ATOM 1795 C GLN A 122 1.626 5.036 10.275 1.00 0.00 C ATOM 1796 O GLN A 122 1.477 6.117 9.705 1.00 0.00 O ATOM 1797 CB GLN A 122 0.254 2.938 9.978 1.00 0.00 C ATOM 1798 CG GLN A 122 0.425 2.225 11.313 1.00 0.00 C ATOM 1799 CD GLN A 122 -0.904 1.855 11.945 1.00 0.00 C ATOM 1800 OE1 GLN A 122 -1.563 0.902 11.527 1.00 0.00 O ATOM 1801 NE2 GLN A 122 -1.301 2.613 12.960 1.00 0.00 N ATOM 0 H GLN A 122 2.566 2.054 10.180 1.00 0.00 H new ATOM 0 HA GLN A 122 1.355 3.959 8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -0.589 3.625 10.054 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -0.003 2.201 9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 122 1.018 1.323 11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 122 0.983 2.866 11.995 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -0.721 3.392 13.272 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.186 2.416 13.428 1.00 0.00 H new ATOM 1810 N GLU A 123 1.908 4.936 11.571 1.00 0.00 N ATOM 1811 CA GLU A 123 2.064 6.110 12.425 1.00 0.00 C ATOM 1812 C GLU A 123 2.954 7.163 11.765 1.00 0.00 C ATOM 1813 O GLU A 123 2.637 8.352 11.775 1.00 0.00 O ATOM 1814 CB GLU A 123 2.652 5.693 13.775 1.00 0.00 C ATOM 1815 CG GLU A 123 2.933 6.856 14.715 1.00 0.00 C ATOM 1816 CD GLU A 123 4.241 6.692 15.462 1.00 0.00 C ATOM 1817 OE1 GLU A 123 4.745 5.551 15.534 1.00 0.00 O ATOM 1818 OE2 GLU A 123 4.764 7.704 15.974 1.00 0.00 O ATOM 0 H GLU A 123 2.034 4.047 12.056 1.00 0.00 H new ATOM 0 HA GLU A 123 1.080 6.554 12.579 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.962 5.004 14.263 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.579 5.147 13.602 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.958 7.784 14.143 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.117 6.945 15.432 1.00 0.00 H new ATOM 1825 N TRP A 124 4.068 6.716 11.195 1.00 0.00 N ATOM 1826 CA TRP A 124 5.002 7.620 10.533 1.00 0.00 C ATOM 1827 C TRP A 124 4.349 8.293 9.336 1.00 0.00 C ATOM 1828 O TRP A 124 4.538 9.486 9.101 1.00 0.00 O ATOM 1829 CB TRP A 124 6.245 6.858 10.074 1.00 0.00 C ATOM 1830 CG TRP A 124 7.288 6.728 11.140 1.00 0.00 C ATOM 1831 CD1 TRP A 124 7.111 6.874 12.485 1.00 0.00 C ATOM 1832 CD2 TRP A 124 8.672 6.427 10.944 1.00 0.00 C ATOM 1833 NE1 TRP A 124 8.303 6.679 13.140 1.00 0.00 N ATOM 1834 CE2 TRP A 124 9.276 6.403 12.215 1.00 0.00 C ATOM 1835 CE3 TRP A 124 9.458 6.175 9.818 1.00 0.00 C ATOM 1836 CZ2 TRP A 124 10.631 6.136 12.388 1.00 0.00 C ATOM 1837 CZ3 TRP A 124 10.802 5.910 9.991 1.00 0.00 C ATOM 1838 CH2 TRP A 124 11.377 5.891 11.269 1.00 0.00 C ATOM 0 H TRP A 124 4.346 5.735 11.178 1.00 0.00 H new ATOM 0 HA TRP A 124 5.293 8.386 11.252 1.00 0.00 H new ATOM 0 HB2 TRP A 124 5.950 5.863 9.741 1.00 0.00 H new ATOM 0 HB3 TRP A 124 6.677 7.367 9.213 1.00 0.00 H new ATOM 0 HD1 TRP A 124 6.172 7.108 12.964 1.00 0.00 H new ATOM 0 HE1 TRP A 124 8.441 6.731 14.149 1.00 0.00 H new ATOM 0 HE3 TRP A 124 9.023 6.187 8.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 11.077 6.123 13.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 11.420 5.714 9.127 1.00 0.00 H new ATOM 0 HH2 TRP A 124 12.431 5.678 11.372 1.00 0.00 H new ATOM 1849 N MET A 125 3.578 7.518 8.581 1.00 0.00 N ATOM 1850 CA MET A 125 2.895 8.040 7.406 1.00 0.00 C ATOM 1851 C MET A 125 2.068 9.266 7.762 1.00 0.00 C ATOM 1852 O MET A 125 2.335 10.370 7.289 1.00 0.00 O ATOM 1853 CB MET A 125 1.988 6.971 6.798 1.00 0.00 C ATOM 1854 CG MET A 125 1.865 7.079 5.289 1.00 0.00 C ATOM 1855 SD MET A 125 1.063 8.606 4.757 1.00 0.00 S ATOM 1856 CE MET A 125 2.476 9.689 4.552 1.00 0.00 C ATOM 0 H MET A 125 3.411 6.528 8.762 1.00 0.00 H new ATOM 0 HA MET A 125 3.653 8.326 6.676 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.376 5.985 7.055 1.00 0.00 H new ATOM 0 HB3 MET A 125 0.996 7.049 7.243 1.00 0.00 H new ATOM 0 HG2 MET A 125 2.858 7.022 4.844 1.00 0.00 H new ATOM 0 HG3 MET A 125 1.298 6.227 4.914 1.00 0.00 H new ATOM 0 HE1 MET A 125 2.334 10.589 5.150 1.00 0.00 H new ATOM 0 HE2 MET A 125 3.379 9.175 4.880 1.00 0.00 H new ATOM 0 HE3 MET A 125 2.575 9.963 3.502 1.00 0.00 H new ATOM 1866 N VAL A 126 1.062 9.059 8.601 1.00 0.00 N ATOM 1867 CA VAL A 126 0.190 10.140 9.030 1.00 0.00 C ATOM 1868 C VAL A 126 0.989 11.262 9.683 1.00 0.00 C ATOM 1869 O VAL A 126 0.579 12.423 9.660 1.00 0.00 O ATOM 1870 CB VAL A 126 -0.879 9.642 10.019 1.00 0.00 C ATOM 1871 CG1 VAL A 126 -1.869 10.751 10.334 1.00 0.00 C ATOM 1872 CG2 VAL A 126 -1.594 8.418 9.462 1.00 0.00 C ATOM 0 H VAL A 126 0.830 8.149 8.998 1.00 0.00 H new ATOM 0 HA VAL A 126 -0.305 10.521 8.137 1.00 0.00 H new ATOM 0 HB VAL A 126 -0.385 9.353 10.947 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -2.618 10.382 11.035 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -1.341 11.595 10.778 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.359 11.073 9.415 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.346 8.080 10.175 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.077 8.676 8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -0.871 7.620 9.292 1.00 0.00 H new ATOM 1882 N ALA A 127 2.133 10.910 10.261 1.00 0.00 N ATOM 1883 CA ALA A 127 2.985 11.891 10.914 1.00 0.00 C ATOM 1884 C ALA A 127 3.424 12.962 9.925 1.00 0.00 C ATOM 1885 O ALA A 127 2.993 14.114 10.012 1.00 0.00 O ATOM 1886 CB ALA A 127 4.195 11.211 11.544 1.00 0.00 C ATOM 0 H ALA A 127 2.489 9.954 10.289 1.00 0.00 H new ATOM 0 HA ALA A 127 2.412 12.373 11.706 1.00 0.00 H new ATOM 0 HB1 ALA A 127 4.822 11.960 12.028 1.00 0.00 H new ATOM 0 HB2 ALA A 127 3.860 10.485 12.284 1.00 0.00 H new ATOM 0 HB3 ALA A 127 4.770 10.702 10.771 1.00 0.00 H new ATOM 1892 N TYR A 128 4.258 12.575 8.963 1.00 0.00 N ATOM 1893 CA TYR A 128 4.728 13.508 7.946 1.00 0.00 C ATOM 1894 C TYR A 128 3.545 14.162 7.242 1.00 0.00 C ATOM 1895 O TYR A 128 3.658 15.267 6.709 1.00 0.00 O ATOM 1896 CB TYR A 128 5.617 12.792 6.926 1.00 0.00 C ATOM 1897 CG TYR A 128 6.344 13.725 5.977 1.00 0.00 C ATOM 1898 CD1 TYR A 128 5.672 14.352 4.934 1.00 0.00 C ATOM 1899 CD2 TYR A 128 7.707 13.969 6.117 1.00 0.00 C ATOM 1900 CE1 TYR A 128 6.335 15.193 4.058 1.00 0.00 C ATOM 1901 CE2 TYR A 128 8.375 14.811 5.247 1.00 0.00 C ATOM 1902 CZ TYR A 128 7.687 15.420 4.219 1.00 0.00 C ATOM 1903 OH TYR A 128 8.351 16.257 3.350 1.00 0.00 O ATOM 0 H TYR A 128 4.620 11.626 8.867 1.00 0.00 H new ATOM 0 HA TYR A 128 5.318 14.282 8.437 1.00 0.00 H new ATOM 0 HB2 TYR A 128 6.352 12.189 7.460 1.00 0.00 H new ATOM 0 HB3 TYR A 128 5.003 12.105 6.344 1.00 0.00 H new ATOM 0 HD1 TYR A 128 4.614 14.180 4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 128 8.252 13.493 6.919 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.797 15.670 3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 128 9.432 14.991 5.372 1.00 0.00 H new ATOM 0 HH TYR A 128 7.700 16.784 2.841 1.00 0.00 H new ATOM 1913 N LEU A 129 2.403 13.471 7.244 1.00 0.00 N ATOM 1914 CA LEU A 129 1.204 13.992 6.604 1.00 0.00 C ATOM 1915 C LEU A 129 0.838 15.362 7.163 1.00 0.00 C ATOM 1916 O LEU A 129 0.689 16.327 6.417 1.00 0.00 O ATOM 1917 CB LEU A 129 0.016 13.035 6.771 1.00 0.00 C ATOM 1918 CG LEU A 129 -1.046 13.150 5.669 1.00 0.00 C ATOM 1919 CD1 LEU A 129 -1.961 11.934 5.655 1.00 0.00 C ATOM 1920 CD2 LEU A 129 -1.862 14.422 5.847 1.00 0.00 C ATOM 0 H LEU A 129 2.288 12.556 7.680 1.00 0.00 H new ATOM 0 HA LEU A 129 1.425 14.088 5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.389 12.011 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.456 13.224 7.735 1.00 0.00 H new ATOM 0 HG LEU A 129 -0.529 13.194 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -2.702 12.046 4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.370 11.036 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -2.467 11.848 6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.610 14.488 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.359 14.403 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.202 15.288 5.795 1.00 0.00 H new ATOM 1932 N GLU A 130 0.675 15.437 8.480 1.00 0.00 N ATOM 1933 CA GLU A 130 0.304 16.687 9.134 1.00 0.00 C ATOM 1934 C GLU A 130 1.497 17.632 9.282 1.00 0.00 C ATOM 1935 O GLU A 130 1.322 18.815 9.582 1.00 0.00 O ATOM 1936 CB GLU A 130 -0.322 16.402 10.502 1.00 0.00 C ATOM 1937 CG GLU A 130 -1.737 16.939 10.638 1.00 0.00 C ATOM 1938 CD GLU A 130 -1.771 18.358 11.169 1.00 0.00 C ATOM 1939 OE1 GLU A 130 -0.863 19.143 10.824 1.00 0.00 O ATOM 1940 OE2 GLU A 130 -2.707 18.685 11.929 1.00 0.00 O ATOM 0 H GLU A 130 0.794 14.648 9.115 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.429 17.185 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.331 15.325 10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.303 16.843 11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.229 16.906 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.305 16.291 11.305 1.00 0.00 H new ATOM 1947 N THR A 131 2.708 17.111 9.099 1.00 0.00 N ATOM 1948 CA THR A 131 3.912 17.928 9.237 1.00 0.00 C ATOM 1949 C THR A 131 4.216 18.731 7.973 1.00 0.00 C ATOM 1950 O THR A 131 4.111 19.958 7.959 1.00 0.00 O ATOM 1951 CB THR A 131 5.122 17.052 9.568 1.00 0.00 C ATOM 1952 OG1 THR A 131 5.394 16.160 8.507 1.00 0.00 O ATOM 1953 CG2 THR A 131 4.953 16.227 10.819 1.00 0.00 C ATOM 0 H THR A 131 2.882 16.135 8.857 1.00 0.00 H new ATOM 0 HA THR A 131 3.720 18.627 10.051 1.00 0.00 H new ATOM 0 HB THR A 131 5.942 17.752 9.727 1.00 0.00 H new ATOM 0 HG1 THR A 131 6.363 16.092 8.377 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.851 15.633 10.987 1.00 0.00 H new ATOM 0 HG22 THR A 131 4.789 16.887 11.671 1.00 0.00 H new ATOM 0 HG23 THR A 131 4.096 15.564 10.704 1.00 0.00 H new ATOM 1961 N ARG A 132 4.620 18.031 6.918 1.00 0.00 N ATOM 1962 CA ARG A 132 4.974 18.680 5.657 1.00 0.00 C ATOM 1963 C ARG A 132 3.924 18.428 4.581 1.00 0.00 C ATOM 1964 O ARG A 132 3.828 19.170 3.601 1.00 0.00 O ATOM 1965 CB ARG A 132 6.334 18.168 5.178 1.00 0.00 C ATOM 1966 CG ARG A 132 7.507 19.000 5.665 1.00 0.00 C ATOM 1967 CD ARG A 132 8.772 18.162 5.752 1.00 0.00 C ATOM 1968 NE ARG A 132 9.949 18.969 6.052 1.00 0.00 N ATOM 1969 CZ ARG A 132 10.565 19.744 5.162 1.00 0.00 C ATOM 1970 NH1 ARG A 132 10.100 19.850 3.924 1.00 0.00 N ATOM 1971 NH2 ARG A 132 11.651 20.415 5.513 1.00 0.00 N ATOM 0 H ARG A 132 4.711 17.015 6.909 1.00 0.00 H new ATOM 0 HA ARG A 132 5.022 19.754 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 132 6.464 17.140 5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 132 6.342 18.149 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 132 7.668 19.839 4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 132 7.277 19.420 6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 132 8.649 17.401 6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 132 8.924 17.638 4.808 1.00 0.00 H new ATOM 0 HE ARG A 132 10.323 18.938 7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 132 9.264 19.335 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 132 10.579 20.446 3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 132 12.014 20.337 6.463 1.00 0.00 H new ATOM 0 HH22 ARG A 132 12.125 21.010 4.833 1.00 0.00 H new ATOM 1985 N LEU A 133 3.121 17.394 4.783 1.00 0.00 N ATOM 1986 CA LEU A 133 2.060 17.052 3.849 1.00 0.00 C ATOM 1987 C LEU A 133 0.790 17.811 4.205 1.00 0.00 C ATOM 1988 O LEU A 133 -0.260 17.594 3.609 1.00 0.00 O ATOM 1989 CB LEU A 133 1.797 15.551 3.912 1.00 0.00 C ATOM 1990 CG LEU A 133 1.922 14.780 2.596 1.00 0.00 C ATOM 1991 CD1 LEU A 133 2.447 13.376 2.865 1.00 0.00 C ATOM 1992 CD2 LEU A 133 0.578 14.712 1.886 1.00 0.00 C ATOM 0 H LEU A 133 3.185 16.774 5.591 1.00 0.00 H new ATOM 0 HA LEU A 133 2.365 17.327 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 133 2.489 15.113 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.791 15.397 4.303 1.00 0.00 H new ATOM 0 HG LEU A 133 2.625 15.305 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.533 12.833 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.427 13.438 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.757 12.850 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 133 0.687 14.160 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -0.146 14.205 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 133 0.228 15.722 1.672 1.00 0.00 H new ATOM 2004 N ALA A 134 0.891 18.684 5.201 1.00 0.00 N ATOM 2005 CA ALA A 134 -0.247 19.461 5.651 1.00 0.00 C ATOM 2006 C ALA A 134 -0.642 20.490 4.607 1.00 0.00 C ATOM 2007 O ALA A 134 -1.798 20.901 4.541 1.00 0.00 O ATOM 2008 CB ALA A 134 0.064 20.135 6.981 1.00 0.00 C ATOM 0 H ALA A 134 1.755 18.868 5.711 1.00 0.00 H new ATOM 0 HA ALA A 134 -1.090 18.785 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -0.800 20.715 7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.294 19.376 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.921 20.797 6.861 1.00 0.00 H new ATOM 2014 N ASP A 135 0.317 20.897 3.778 1.00 0.00 N ATOM 2015 CA ASP A 135 0.050 21.871 2.729 1.00 0.00 C ATOM 2016 C ASP A 135 -0.555 21.192 1.502 1.00 0.00 C ATOM 2017 O ASP A 135 -1.689 21.476 1.120 1.00 0.00 O ATOM 2018 CB ASP A 135 1.343 22.595 2.342 1.00 0.00 C ATOM 2019 CG ASP A 135 1.320 24.062 2.725 1.00 0.00 C ATOM 2020 OD1 ASP A 135 0.586 24.417 3.670 1.00 0.00 O ATOM 2021 OD2 ASP A 135 2.037 24.856 2.080 1.00 0.00 O ATOM 0 H ASP A 135 1.282 20.567 3.814 1.00 0.00 H new ATOM 0 HA ASP A 135 -0.667 22.598 3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.188 22.108 2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 135 1.499 22.505 1.267 1.00 0.00 H new ATOM 2026 N TRP A 136 0.217 20.302 0.882 1.00 0.00 N ATOM 2027 CA TRP A 136 -0.232 19.594 -0.318 1.00 0.00 C ATOM 2028 C TRP A 136 -1.628 19.006 -0.122 1.00 0.00 C ATOM 2029 O TRP A 136 -2.400 18.876 -1.073 1.00 0.00 O ATOM 2030 CB TRP A 136 0.752 18.471 -0.659 1.00 0.00 C ATOM 2031 CG TRP A 136 2.044 18.953 -1.250 1.00 0.00 C ATOM 2032 CD1 TRP A 136 3.295 18.484 -0.968 1.00 0.00 C ATOM 2033 CD2 TRP A 136 2.216 19.988 -2.228 1.00 0.00 C ATOM 2034 NE1 TRP A 136 4.232 19.162 -1.709 1.00 0.00 N ATOM 2035 CE2 TRP A 136 3.596 20.089 -2.488 1.00 0.00 C ATOM 2036 CE3 TRP A 136 1.339 20.837 -2.910 1.00 0.00 C ATOM 2037 CZ2 TRP A 136 4.118 21.004 -3.398 1.00 0.00 C ATOM 2038 CZ3 TRP A 136 1.859 21.743 -3.814 1.00 0.00 C ATOM 2039 CH2 TRP A 136 3.237 21.822 -4.051 1.00 0.00 C ATOM 0 H TRP A 136 1.157 20.053 1.190 1.00 0.00 H new ATOM 0 HA TRP A 136 -0.272 20.311 -1.138 1.00 0.00 H new ATOM 0 HB2 TRP A 136 0.967 17.903 0.246 1.00 0.00 H new ATOM 0 HB3 TRP A 136 0.277 17.785 -1.360 1.00 0.00 H new ATOM 0 HD1 TRP A 136 3.516 17.695 -0.265 1.00 0.00 H new ATOM 0 HE1 TRP A 136 5.239 19.000 -1.683 1.00 0.00 H new ATOM 0 HE3 TRP A 136 0.275 20.785 -2.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 136 5.180 21.066 -3.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 136 1.191 22.402 -4.348 1.00 0.00 H new ATOM 0 HH2 TRP A 136 3.611 22.543 -4.763 1.00 0.00 H new ATOM 2050 N ILE A 137 -1.946 18.668 1.117 1.00 0.00 N ATOM 2051 CA ILE A 137 -3.250 18.110 1.455 1.00 0.00 C ATOM 2052 C ILE A 137 -4.293 19.215 1.599 1.00 0.00 C ATOM 2053 O ILE A 137 -5.402 19.102 1.082 1.00 0.00 O ATOM 2054 CB ILE A 137 -3.196 17.264 2.748 1.00 0.00 C ATOM 2055 CG1 ILE A 137 -2.328 16.023 2.520 1.00 0.00 C ATOM 2056 CG2 ILE A 137 -4.596 16.863 3.201 1.00 0.00 C ATOM 2057 CD1 ILE A 137 -2.982 14.971 1.646 1.00 0.00 C ATOM 0 H ILE A 137 -1.315 18.770 1.912 1.00 0.00 H new ATOM 0 HA ILE A 137 -3.539 17.453 0.634 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.752 17.869 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -1.387 16.328 2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.084 15.579 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -4.527 16.269 4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.186 17.759 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.077 16.274 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -2.307 14.123 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -3.909 14.636 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -3.201 15.396 0.667 1.00 0.00 H new ATOM 2069 N HIS A 138 -3.929 20.283 2.307 1.00 0.00 N ATOM 2070 CA HIS A 138 -4.835 21.409 2.518 1.00 0.00 C ATOM 2071 C HIS A 138 -5.322 21.970 1.190 1.00 0.00 C ATOM 2072 O HIS A 138 -6.499 22.300 1.036 1.00 0.00 O ATOM 2073 CB HIS A 138 -4.139 22.511 3.322 1.00 0.00 C ATOM 2074 CG HIS A 138 -4.787 22.791 4.642 1.00 0.00 C ATOM 2075 ND1 HIS A 138 -4.306 23.726 5.534 1.00 0.00 N ATOM 2076 CD2 HIS A 138 -5.889 22.257 5.220 1.00 0.00 C ATOM 2077 CE1 HIS A 138 -5.080 23.754 6.603 1.00 0.00 C ATOM 2078 NE2 HIS A 138 -6.049 22.873 6.437 1.00 0.00 N ATOM 0 H HIS A 138 -3.014 20.392 2.744 1.00 0.00 H new ATOM 0 HA HIS A 138 -5.696 21.047 3.080 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -3.100 22.226 3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -4.126 23.427 2.731 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -6.524 21.490 4.802 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -4.944 24.389 7.466 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -6.796 22.681 7.105 1.00 0.00 H new ATOM 2086 N SER A 139 -4.411 22.076 0.234 1.00 0.00 N ATOM 2087 CA SER A 139 -4.750 22.598 -1.082 1.00 0.00 C ATOM 2088 C SER A 139 -5.892 21.804 -1.702 1.00 0.00 C ATOM 2089 O SER A 139 -6.979 22.331 -1.933 1.00 0.00 O ATOM 2090 CB SER A 139 -3.523 22.562 -2.003 1.00 0.00 C ATOM 2091 OG SER A 139 -3.860 22.113 -3.309 1.00 0.00 O ATOM 0 H SER A 139 -3.433 21.808 0.344 1.00 0.00 H new ATOM 0 HA SER A 139 -5.073 23.632 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 139 -3.083 23.558 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.766 21.904 -1.576 1.00 0.00 H new ATOM 0 HG SER A 139 -3.056 22.104 -3.869 1.00 0.00 H new ATOM 2097 N SER A 140 -5.627 20.532 -1.973 1.00 0.00 N ATOM 2098 CA SER A 140 -6.617 19.651 -2.580 1.00 0.00 C ATOM 2099 C SER A 140 -7.688 19.220 -1.584 1.00 0.00 C ATOM 2100 O SER A 140 -8.725 18.680 -1.970 1.00 0.00 O ATOM 2101 CB SER A 140 -5.929 18.415 -3.147 1.00 0.00 C ATOM 2102 OG SER A 140 -4.895 17.960 -2.288 1.00 0.00 O ATOM 0 H SER A 140 -4.730 20.086 -1.781 1.00 0.00 H new ATOM 0 HA SER A 140 -7.106 20.210 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.662 17.621 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 140 -5.514 18.645 -4.128 1.00 0.00 H new ATOM 0 HG SER A 140 -4.473 17.166 -2.677 1.00 0.00 H new ATOM 2108 N GLY A 141 -7.424 19.447 -0.303 1.00 0.00 N ATOM 2109 CA GLY A 141 -8.366 19.066 0.732 1.00 0.00 C ATOM 2110 C GLY A 141 -8.170 17.631 1.183 1.00 0.00 C ATOM 2111 O GLY A 141 -8.395 17.296 2.349 1.00 0.00 O ATOM 0 H GLY A 141 -6.571 19.890 0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.253 19.733 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.383 19.193 0.360 1.00 0.00 H new ATOM 2115 N GLY A 142 -7.747 16.780 0.248 1.00 0.00 N ATOM 2116 CA GLY A 142 -7.521 15.392 0.534 1.00 0.00 C ATOM 2117 C GLY A 142 -7.772 14.536 -0.681 1.00 0.00 C ATOM 2118 O GLY A 142 -7.363 14.871 -1.794 1.00 0.00 O ATOM 0 H GLY A 142 -7.557 17.046 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -6.496 15.251 0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -8.174 15.075 1.347 1.00 0.00 H new ATOM 2122 N TRP A 143 -8.445 13.431 -0.455 1.00 0.00 N ATOM 2123 CA TRP A 143 -8.770 12.489 -1.516 1.00 0.00 C ATOM 2124 C TRP A 143 -9.748 13.092 -2.518 1.00 0.00 C ATOM 2125 O TRP A 143 -9.844 12.626 -3.651 1.00 0.00 O ATOM 2126 CB TRP A 143 -9.350 11.207 -0.916 1.00 0.00 C ATOM 2127 CG TRP A 143 -8.422 10.539 0.045 1.00 0.00 C ATOM 2128 CD1 TRP A 143 -8.373 10.723 1.396 1.00 0.00 C ATOM 2129 CD2 TRP A 143 -7.404 9.584 -0.270 1.00 0.00 C ATOM 2130 NE1 TRP A 143 -7.393 9.932 1.944 1.00 0.00 N ATOM 2131 CE2 TRP A 143 -6.783 9.225 0.940 1.00 0.00 C ATOM 2132 CE3 TRP A 143 -6.959 8.993 -1.458 1.00 0.00 C ATOM 2133 CZ2 TRP A 143 -5.742 8.303 0.997 1.00 0.00 C ATOM 2134 CZ3 TRP A 143 -5.925 8.080 -1.400 1.00 0.00 C ATOM 2135 CH2 TRP A 143 -5.327 7.741 -0.180 1.00 0.00 C ATOM 0 H TRP A 143 -8.785 13.155 0.466 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.850 12.253 -2.051 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -10.284 11.442 -0.406 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -9.592 10.513 -1.721 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -9.011 11.393 1.953 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -7.158 9.879 2.935 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -7.416 9.247 -2.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -5.278 8.040 1.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -5.571 7.620 -2.311 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -4.522 7.021 -0.168 1.00 0.00 H new ATOM 2146 N ALA A 144 -10.474 14.130 -2.097 1.00 0.00 N ATOM 2147 CA ALA A 144 -11.447 14.793 -2.968 1.00 0.00 C ATOM 2148 C ALA A 144 -10.917 14.940 -4.394 1.00 0.00 C ATOM 2149 O ALA A 144 -11.497 14.402 -5.341 1.00 0.00 O ATOM 2150 CB ALA A 144 -11.821 16.155 -2.398 1.00 0.00 C ATOM 0 H ALA A 144 -10.407 14.529 -1.161 1.00 0.00 H new ATOM 0 HA ALA A 144 -12.338 14.167 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 144 -12.545 16.638 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 144 -12.258 16.027 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 144 -10.928 16.776 -2.323 1.00 0.00 H new ATOM 2156 N GLU A 145 -9.808 15.657 -4.544 1.00 0.00 N ATOM 2157 CA GLU A 145 -9.204 15.858 -5.858 1.00 0.00 C ATOM 2158 C GLU A 145 -8.931 14.522 -6.533 1.00 0.00 C ATOM 2159 O GLU A 145 -9.060 14.392 -7.749 1.00 0.00 O ATOM 2160 CB GLU A 145 -7.895 16.646 -5.734 1.00 0.00 C ATOM 2161 CG GLU A 145 -6.763 15.855 -5.090 1.00 0.00 C ATOM 2162 CD GLU A 145 -5.699 15.445 -6.086 1.00 0.00 C ATOM 2163 OE1 GLU A 145 -5.189 16.329 -6.806 1.00 0.00 O ATOM 2164 OE2 GLU A 145 -5.373 14.241 -6.146 1.00 0.00 O ATOM 0 H GLU A 145 -9.310 16.107 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 145 -9.907 16.427 -6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -7.581 16.970 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -8.077 17.546 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -6.307 16.456 -4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -7.172 14.964 -4.614 1.00 0.00 H new ATOM 2171 N PHE A 146 -8.542 13.534 -5.733 1.00 0.00 N ATOM 2172 CA PHE A 146 -8.228 12.211 -6.243 1.00 0.00 C ATOM 2173 C PHE A 146 -9.465 11.516 -6.787 1.00 0.00 C ATOM 2174 O PHE A 146 -9.472 11.028 -7.917 1.00 0.00 O ATOM 2175 CB PHE A 146 -7.568 11.361 -5.144 1.00 0.00 C ATOM 2176 CG PHE A 146 -8.117 9.967 -5.031 1.00 0.00 C ATOM 2177 CD1 PHE A 146 -7.639 8.952 -5.840 1.00 0.00 C ATOM 2178 CD2 PHE A 146 -9.116 9.679 -4.118 1.00 0.00 C ATOM 2179 CE1 PHE A 146 -8.147 7.672 -5.740 1.00 0.00 C ATOM 2180 CE2 PHE A 146 -9.628 8.402 -4.011 1.00 0.00 C ATOM 2181 CZ PHE A 146 -9.145 7.396 -4.823 1.00 0.00 C ATOM 0 H PHE A 146 -8.437 13.630 -4.723 1.00 0.00 H new ATOM 0 HA PHE A 146 -7.526 12.327 -7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -6.497 11.303 -5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -7.691 11.867 -4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -6.860 9.163 -6.558 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -9.500 10.463 -3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -7.766 6.888 -6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -10.406 8.190 -3.292 1.00 0.00 H new ATOM 0 HZ PHE A 146 -9.545 6.396 -4.743 1.00 0.00 H new ATOM 2191 N THR A 147 -10.505 11.464 -5.970 1.00 0.00 N ATOM 2192 CA THR A 147 -11.743 10.816 -6.362 1.00 0.00 C ATOM 2193 C THR A 147 -12.221 11.326 -7.715 1.00 0.00 C ATOM 2194 O THR A 147 -12.801 10.580 -8.504 1.00 0.00 O ATOM 2195 CB THR A 147 -12.824 11.031 -5.301 1.00 0.00 C ATOM 2196 OG1 THR A 147 -12.394 10.548 -4.039 1.00 0.00 O ATOM 2197 CG2 THR A 147 -14.126 10.335 -5.631 1.00 0.00 C ATOM 0 H THR A 147 -10.515 11.863 -5.031 1.00 0.00 H new ATOM 0 HA THR A 147 -11.549 9.747 -6.449 1.00 0.00 H new ATOM 0 HB THR A 147 -12.995 12.107 -5.276 1.00 0.00 H new ATOM 0 HG1 THR A 147 -11.487 10.185 -4.119 1.00 0.00 H new ATOM 0 HG21 THR A 147 -14.851 10.526 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 147 -14.512 10.715 -6.577 1.00 0.00 H new ATOM 0 HG23 THR A 147 -13.954 9.262 -5.714 1.00 0.00 H new ATOM 2205 N ALA A 148 -11.972 12.603 -7.971 1.00 0.00 N ATOM 2206 CA ALA A 148 -12.376 13.228 -9.228 1.00 0.00 C ATOM 2207 C ALA A 148 -11.285 13.135 -10.294 1.00 0.00 C ATOM 2208 O ALA A 148 -11.574 13.157 -11.490 1.00 0.00 O ATOM 2209 CB ALA A 148 -12.763 14.683 -8.996 1.00 0.00 C ATOM 0 H ALA A 148 -11.491 13.229 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 148 -13.242 12.680 -9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -13.062 15.135 -9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 148 -13.594 14.731 -8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -11.910 15.226 -8.588 1.00 0.00 H new ATOM 2215 N LEU A 149 -10.033 13.044 -9.860 1.00 0.00 N ATOM 2216 CA LEU A 149 -8.906 12.964 -10.787 1.00 0.00 C ATOM 2217 C LEU A 149 -8.883 11.630 -11.519 1.00 0.00 C ATOM 2218 O LEU A 149 -8.773 11.576 -12.743 1.00 0.00 O ATOM 2219 CB LEU A 149 -7.583 13.174 -10.028 1.00 0.00 C ATOM 2220 CG LEU A 149 -6.668 11.943 -9.897 1.00 0.00 C ATOM 2221 CD1 LEU A 149 -5.803 11.775 -11.137 1.00 0.00 C ATOM 2222 CD2 LEU A 149 -5.803 12.056 -8.655 1.00 0.00 C ATOM 0 H LEU A 149 -9.771 13.024 -8.874 1.00 0.00 H new ATOM 0 HA LEU A 149 -9.025 13.752 -11.530 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -7.023 13.964 -10.528 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -7.817 13.534 -9.026 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.298 11.059 -9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -5.166 10.899 -11.020 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.441 11.645 -12.011 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.181 12.661 -11.270 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -5.162 11.178 -8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -5.185 12.951 -8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -6.440 12.120 -7.773 1.00 0.00 H new ATOM 2234 N TYR A 150 -8.949 10.556 -10.746 1.00 0.00 N ATOM 2235 CA TYR A 150 -8.896 9.208 -11.288 1.00 0.00 C ATOM 2236 C TYR A 150 -10.287 8.678 -11.631 1.00 0.00 C ATOM 2237 O TYR A 150 -10.523 7.470 -11.589 1.00 0.00 O ATOM 2238 CB TYR A 150 -8.197 8.287 -10.275 1.00 0.00 C ATOM 2239 CG TYR A 150 -9.114 7.710 -9.217 1.00 0.00 C ATOM 2240 CD1 TYR A 150 -10.252 8.395 -8.805 1.00 0.00 C ATOM 2241 CD2 TYR A 150 -8.847 6.475 -8.638 1.00 0.00 C ATOM 2242 CE1 TYR A 150 -11.093 7.867 -7.852 1.00 0.00 C ATOM 2243 CE2 TYR A 150 -9.686 5.944 -7.681 1.00 0.00 C ATOM 2244 CZ TYR A 150 -10.808 6.645 -7.294 1.00 0.00 C ATOM 2245 OH TYR A 150 -11.647 6.121 -6.346 1.00 0.00 O ATOM 0 H TYR A 150 -9.040 10.595 -9.731 1.00 0.00 H new ATOM 0 HA TYR A 150 -8.329 9.230 -12.218 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -7.724 7.467 -10.815 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -7.401 8.846 -9.783 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -10.480 9.357 -9.240 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -7.970 5.923 -8.942 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -11.973 8.411 -7.544 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -9.465 4.984 -7.237 1.00 0.00 H new ATOM 0 HH TYR A 150 -12.493 5.859 -6.766 1.00 0.00 H new ATOM 2255 N GLY A 151 -11.201 9.579 -11.974 1.00 0.00 N ATOM 2256 CA GLY A 151 -12.544 9.164 -12.321 1.00 0.00 C ATOM 2257 C GLY A 151 -12.562 8.270 -13.542 1.00 0.00 C ATOM 2258 O GLY A 151 -13.092 7.160 -13.502 1.00 0.00 O ATOM 0 H GLY A 151 -11.035 10.585 -12.017 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -12.990 8.636 -11.478 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -13.159 10.044 -12.507 1.00 0.00 H new ATOM 2262 N ASP A 152 -11.977 8.755 -14.631 1.00 0.00 N ATOM 2263 CA ASP A 152 -11.923 7.991 -15.871 1.00 0.00 C ATOM 2264 C ASP A 152 -10.607 8.226 -16.604 1.00 0.00 C ATOM 2265 O ASP A 152 -10.119 9.354 -16.688 1.00 0.00 O ATOM 2266 CB ASP A 152 -13.098 8.365 -16.775 1.00 0.00 C ATOM 2267 CG ASP A 152 -13.534 7.215 -17.661 1.00 0.00 C ATOM 2268 OD1 ASP A 152 -13.095 6.072 -17.409 1.00 0.00 O ATOM 2269 OD2 ASP A 152 -14.315 7.455 -18.604 1.00 0.00 O ATOM 0 H ASP A 152 -11.534 9.672 -14.680 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.989 6.933 -15.617 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -13.939 8.685 -16.160 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.818 9.214 -17.398 1.00 0.00 H new ATOM 2274 N GLY A 153 -10.037 7.150 -17.135 1.00 0.00 N ATOM 2275 CA GLY A 153 -8.783 7.249 -17.856 1.00 0.00 C ATOM 2276 C GLY A 153 -8.084 5.910 -17.982 1.00 0.00 C ATOM 2277 O GLY A 153 -8.179 5.069 -17.087 1.00 0.00 O ATOM 0 H GLY A 153 -10.423 6.208 -17.078 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.969 7.654 -18.851 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.126 7.952 -17.344 1.00 0.00 H new ATOM 2281 N ALA A 154 -7.382 5.709 -19.093 1.00 0.00 N ATOM 2282 CA ALA A 154 -6.665 4.459 -19.332 1.00 0.00 C ATOM 2283 C ALA A 154 -5.792 4.086 -18.139 1.00 0.00 C ATOM 2284 O ALA A 154 -4.866 4.817 -17.782 1.00 0.00 O ATOM 2285 CB ALA A 154 -5.819 4.572 -20.593 1.00 0.00 C ATOM 0 H ALA A 154 -7.294 6.395 -19.843 1.00 0.00 H new ATOM 0 HA ALA A 154 -7.401 3.667 -19.468 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -5.289 3.634 -20.761 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -6.464 4.782 -21.446 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -5.097 5.380 -20.476 1.00 0.00 H new ATOM 2291 N LEU A 155 -6.088 2.945 -17.526 1.00 0.00 N ATOM 2292 CA LEU A 155 -5.326 2.477 -16.375 1.00 0.00 C ATOM 2293 C LEU A 155 -3.841 2.371 -16.717 1.00 0.00 C ATOM 2294 O LEU A 155 -2.990 2.888 -15.998 1.00 0.00 O ATOM 2295 CB LEU A 155 -5.854 1.121 -15.899 1.00 0.00 C ATOM 2296 CG LEU A 155 -7.365 1.060 -15.667 1.00 0.00 C ATOM 2297 CD1 LEU A 155 -7.780 -0.328 -15.202 1.00 0.00 C ATOM 2298 CD2 LEU A 155 -7.791 2.111 -14.652 1.00 0.00 C ATOM 0 H LEU A 155 -6.850 2.328 -17.807 1.00 0.00 H new ATOM 0 HA LEU A 155 -5.446 3.203 -15.571 1.00 0.00 H new ATOM 0 HB2 LEU A 155 -5.584 0.364 -16.635 1.00 0.00 H new ATOM 0 HB3 LEU A 155 -5.348 0.857 -14.970 1.00 0.00 H new ATOM 0 HG LEU A 155 -7.866 1.269 -16.612 1.00 0.00 H new ATOM 0 HD11 LEU A 155 -8.858 -0.351 -15.042 1.00 0.00 H new ATOM 0 HD12 LEU A 155 -7.510 -1.062 -15.961 1.00 0.00 H new ATOM 0 HD13 LEU A 155 -7.270 -0.567 -14.269 1.00 0.00 H new ATOM 0 HD21 LEU A 155 -8.869 2.053 -14.499 1.00 0.00 H new ATOM 0 HD22 LEU A 155 -7.280 1.931 -13.706 1.00 0.00 H new ATOM 0 HD23 LEU A 155 -7.530 3.102 -15.023 1.00 0.00 H new ATOM 2310 N GLU A 156 -3.537 1.706 -17.829 1.00 0.00 N ATOM 2311 CA GLU A 156 -2.151 1.538 -18.271 1.00 0.00 C ATOM 2312 C GLU A 156 -1.394 2.869 -18.261 1.00 0.00 C ATOM 2313 O GLU A 156 -0.163 2.895 -18.181 1.00 0.00 O ATOM 2314 CB GLU A 156 -2.114 0.928 -19.674 1.00 0.00 C ATOM 2315 CG GLU A 156 -3.087 -0.224 -19.865 1.00 0.00 C ATOM 2316 CD GLU A 156 -2.529 -1.317 -20.757 1.00 0.00 C ATOM 2317 OE1 GLU A 156 -2.169 -1.014 -21.913 1.00 0.00 O ATOM 2318 OE2 GLU A 156 -2.455 -2.477 -20.297 1.00 0.00 O ATOM 0 H GLU A 156 -4.229 1.274 -18.441 1.00 0.00 H new ATOM 0 HA GLU A 156 -1.658 0.864 -17.570 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -2.337 1.705 -20.405 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -1.103 0.577 -19.881 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -3.339 -0.647 -18.893 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -4.013 0.155 -20.297 1.00 0.00 H new ATOM 2325 N GLU A 157 -2.133 3.972 -18.344 1.00 0.00 N ATOM 2326 CA GLU A 157 -1.529 5.300 -18.340 1.00 0.00 C ATOM 2327 C GLU A 157 -1.070 5.684 -16.938 1.00 0.00 C ATOM 2328 O GLU A 157 0.111 5.950 -16.704 1.00 0.00 O ATOM 2329 CB GLU A 157 -2.531 6.334 -18.859 1.00 0.00 C ATOM 2330 CG GLU A 157 -1.993 7.181 -20.000 1.00 0.00 C ATOM 2331 CD GLU A 157 -2.048 8.668 -19.703 1.00 0.00 C ATOM 2332 OE1 GLU A 157 -2.082 9.034 -18.509 1.00 0.00 O ATOM 2333 OE2 GLU A 157 -2.054 9.465 -20.664 1.00 0.00 O ATOM 0 H GLU A 157 -3.151 3.972 -18.415 1.00 0.00 H new ATOM 0 HA GLU A 157 -0.658 5.280 -18.995 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -3.432 5.819 -19.193 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -2.824 6.989 -18.038 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -0.962 6.894 -20.205 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -2.567 6.974 -20.903 1.00 0.00 H new ATOM 2340 N ALA A 158 -2.018 5.717 -16.008 1.00 0.00 N ATOM 2341 CA ALA A 158 -1.729 6.078 -14.627 1.00 0.00 C ATOM 2342 C ALA A 158 -0.535 5.300 -14.074 1.00 0.00 C ATOM 2343 O ALA A 158 0.296 5.860 -13.357 1.00 0.00 O ATOM 2344 CB ALA A 158 -2.958 5.858 -13.764 1.00 0.00 C ATOM 0 H ALA A 158 -2.998 5.497 -16.188 1.00 0.00 H new ATOM 0 HA ALA A 158 -1.463 7.135 -14.606 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -2.732 6.131 -12.733 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.776 6.477 -14.132 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -3.249 4.808 -13.806 1.00 0.00 H new ATOM 2350 N ARG A 159 -0.446 4.012 -14.410 1.00 0.00 N ATOM 2351 CA ARG A 159 0.662 3.186 -13.937 1.00 0.00 C ATOM 2352 C ARG A 159 1.976 3.657 -14.529 1.00 0.00 C ATOM 2353 O ARG A 159 2.907 4.016 -13.811 1.00 0.00 O ATOM 2354 CB ARG A 159 0.474 1.721 -14.303 1.00 0.00 C ATOM 2355 CG ARG A 159 -0.104 1.497 -15.690 1.00 0.00 C ATOM 2356 CD ARG A 159 0.717 0.492 -16.492 1.00 0.00 C ATOM 2357 NE ARG A 159 2.078 0.955 -16.767 1.00 0.00 N ATOM 2358 CZ ARG A 159 3.111 0.762 -15.946 1.00 0.00 C ATOM 2359 NH1 ARG A 159 2.944 0.153 -14.782 1.00 0.00 N ATOM 2360 NH2 ARG A 159 4.321 1.163 -16.294 1.00 0.00 N ATOM 0 H ARG A 159 -1.120 3.524 -15.001 1.00 0.00 H new ATOM 0 HA ARG A 159 0.680 3.284 -12.852 1.00 0.00 H new ATOM 0 HB2 ARG A 159 1.437 1.215 -14.236 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -0.183 1.255 -13.568 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.130 1.140 -15.603 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.141 2.446 -16.226 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.763 -0.450 -15.945 1.00 0.00 H new ATOM 0 HD3 ARG A 159 0.211 0.288 -17.436 1.00 0.00 H new ATOM 0 HE ARG A 159 2.247 1.456 -17.640 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.018 -0.174 -14.506 1.00 0.00 H new ATOM 0 HH12 ARG A 159 3.741 0.011 -14.162 1.00 0.00 H new ATOM 0 HH21 ARG A 159 4.467 1.622 -17.193 1.00 0.00 H new ATOM 0 HH22 ARG A 159 5.109 1.014 -15.663 1.00 0.00 H new ATOM 2374 N ARG A 160 2.054 3.633 -15.850 1.00 0.00 N ATOM 2375 CA ARG A 160 3.261 4.042 -16.543 1.00 0.00 C ATOM 2376 C ARG A 160 3.865 5.280 -15.895 1.00 0.00 C ATOM 2377 O ARG A 160 5.083 5.448 -15.862 1.00 0.00 O ATOM 2378 CB ARG A 160 2.960 4.285 -18.016 1.00 0.00 C ATOM 2379 CG ARG A 160 4.170 4.109 -18.909 1.00 0.00 C ATOM 2380 CD ARG A 160 4.100 5.016 -20.122 1.00 0.00 C ATOM 2381 NE ARG A 160 5.115 6.063 -20.068 1.00 0.00 N ATOM 2382 CZ ARG A 160 4.848 7.366 -20.123 1.00 0.00 C ATOM 2383 NH1 ARG A 160 3.597 7.796 -20.228 1.00 0.00 N ATOM 2384 NH2 ARG A 160 5.840 8.244 -20.070 1.00 0.00 N ATOM 0 H ARG A 160 1.295 3.334 -16.462 1.00 0.00 H new ATOM 0 HA ARG A 160 3.996 3.240 -16.469 1.00 0.00 H new ATOM 0 HB2 ARG A 160 2.176 3.599 -18.338 1.00 0.00 H new ATOM 0 HB3 ARG A 160 2.570 5.295 -18.139 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.076 4.325 -18.343 1.00 0.00 H new ATOM 0 HG3 ARG A 160 4.237 3.070 -19.233 1.00 0.00 H new ATOM 0 HD2 ARG A 160 4.234 4.425 -21.028 1.00 0.00 H new ATOM 0 HD3 ARG A 160 3.111 5.470 -20.181 1.00 0.00 H new ATOM 0 HE ARG A 160 6.091 5.778 -19.983 1.00 0.00 H new ATOM 0 HH11 ARG A 160 2.829 7.126 -20.267 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.403 8.797 -20.269 1.00 0.00 H new ATOM 0 HH21 ARG A 160 6.804 7.920 -19.987 1.00 0.00 H new ATOM 0 HH22 ARG A 160 5.639 9.243 -20.112 1.00 0.00 H new ATOM 2398 N LEU A 161 3.003 6.125 -15.352 1.00 0.00 N ATOM 2399 CA LEU A 161 3.442 7.336 -14.675 1.00 0.00 C ATOM 2400 C LEU A 161 4.050 7.006 -13.306 1.00 0.00 C ATOM 2401 O LEU A 161 5.173 7.412 -13.004 1.00 0.00 O ATOM 2402 CB LEU A 161 2.267 8.304 -14.524 1.00 0.00 C ATOM 2403 CG LEU A 161 2.460 9.655 -15.212 1.00 0.00 C ATOM 2404 CD1 LEU A 161 1.138 10.177 -15.755 1.00 0.00 C ATOM 2405 CD2 LEU A 161 3.079 10.653 -14.247 1.00 0.00 C ATOM 0 H LEU A 161 1.992 5.994 -15.367 1.00 0.00 H new ATOM 0 HA LEU A 161 4.215 7.812 -15.279 1.00 0.00 H new ATOM 0 HB2 LEU A 161 1.371 7.832 -14.926 1.00 0.00 H new ATOM 0 HB3 LEU A 161 2.088 8.474 -13.462 1.00 0.00 H new ATOM 0 HG LEU A 161 3.140 9.521 -16.054 1.00 0.00 H new ATOM 0 HD11 LEU A 161 1.299 11.140 -16.241 1.00 0.00 H new ATOM 0 HD12 LEU A 161 0.737 9.468 -16.479 1.00 0.00 H new ATOM 0 HD13 LEU A 161 0.430 10.298 -14.935 1.00 0.00 H new ATOM 0 HD21 LEU A 161 3.211 11.611 -14.750 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.423 10.782 -13.386 1.00 0.00 H new ATOM 0 HD23 LEU A 161 4.048 10.282 -13.912 1.00 0.00 H new ATOM 2417 N ARG A 162 3.304 6.262 -12.485 1.00 0.00 N ATOM 2418 CA ARG A 162 3.775 5.872 -11.151 1.00 0.00 C ATOM 2419 C ARG A 162 5.006 4.983 -11.239 1.00 0.00 C ATOM 2420 O ARG A 162 6.054 5.300 -10.678 1.00 0.00 O ATOM 2421 CB ARG A 162 2.683 5.119 -10.383 1.00 0.00 C ATOM 2422 CG ARG A 162 1.972 4.081 -11.229 1.00 0.00 C ATOM 2423 CD ARG A 162 2.353 2.654 -10.863 1.00 0.00 C ATOM 2424 NE ARG A 162 1.889 2.275 -9.533 1.00 0.00 N ATOM 2425 CZ ARG A 162 2.689 2.159 -8.473 1.00 0.00 C ATOM 2426 NH1 ARG A 162 3.973 2.479 -8.558 1.00 0.00 N ATOM 2427 NH2 ARG A 162 2.203 1.731 -7.319 1.00 0.00 N ATOM 0 H ARG A 162 2.373 5.918 -12.719 1.00 0.00 H new ATOM 0 HA ARG A 162 4.029 6.791 -10.623 1.00 0.00 H new ATOM 0 HB2 ARG A 162 3.128 4.630 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 162 1.952 5.835 -10.006 1.00 0.00 H new ATOM 0 HG2 ARG A 162 0.895 4.204 -11.116 1.00 0.00 H new ATOM 0 HG3 ARG A 162 2.204 4.255 -12.280 1.00 0.00 H new ATOM 0 HD2 ARG A 162 1.933 1.969 -11.600 1.00 0.00 H new ATOM 0 HD3 ARG A 162 3.437 2.547 -10.910 1.00 0.00 H new ATOM 0 HE ARG A 162 0.894 2.088 -9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 162 4.357 2.818 -9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 162 4.577 2.387 -7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 162 1.215 1.489 -7.240 1.00 0.00 H new ATOM 0 HH22 ARG A 162 2.816 1.643 -6.509 1.00 0.00 H new ATOM 2441 N GLU A 163 4.869 3.859 -11.934 1.00 0.00 N ATOM 2442 CA GLU A 163 5.966 2.917 -12.080 1.00 0.00 C ATOM 2443 C GLU A 163 7.050 3.484 -12.988 1.00 0.00 C ATOM 2444 O GLU A 163 8.188 3.018 -12.972 1.00 0.00 O ATOM 2445 CB GLU A 163 5.449 1.579 -12.617 1.00 0.00 C ATOM 2446 CG GLU A 163 6.389 0.415 -12.352 1.00 0.00 C ATOM 2447 CD GLU A 163 6.262 -0.128 -10.941 1.00 0.00 C ATOM 2448 OE1 GLU A 163 5.209 0.101 -10.308 1.00 0.00 O ATOM 2449 OE2 GLU A 163 7.216 -0.782 -10.468 1.00 0.00 O ATOM 0 H GLU A 163 4.008 3.580 -12.404 1.00 0.00 H new ATOM 0 HA GLU A 163 6.408 2.747 -11.098 1.00 0.00 H new ATOM 0 HB2 GLU A 163 4.481 1.364 -12.164 1.00 0.00 H new ATOM 0 HB3 GLU A 163 5.286 1.666 -13.691 1.00 0.00 H new ATOM 0 HG2 GLU A 163 6.182 -0.384 -13.065 1.00 0.00 H new ATOM 0 HG3 GLU A 163 7.416 0.736 -12.523 1.00 0.00 H new ATOM 2456 N GLY A 164 6.699 4.507 -13.762 1.00 0.00 N ATOM 2457 CA GLY A 164 7.669 5.127 -14.641 1.00 0.00 C ATOM 2458 C GLY A 164 8.709 5.912 -13.870 1.00 0.00 C ATOM 2459 O GLY A 164 9.892 5.580 -13.899 1.00 0.00 O ATOM 0 H GLY A 164 5.765 4.915 -13.795 1.00 0.00 H new ATOM 0 HA2 GLY A 164 8.162 4.359 -15.237 1.00 0.00 H new ATOM 0 HA3 GLY A 164 7.156 5.790 -15.337 1.00 0.00 H new ATOM 2463 N ASN A 165 8.264 6.952 -13.170 1.00 0.00 N ATOM 2464 CA ASN A 165 9.165 7.785 -12.382 1.00 0.00 C ATOM 2465 C ASN A 165 9.749 7.010 -11.201 1.00 0.00 C ATOM 2466 O ASN A 165 10.880 7.263 -10.786 1.00 0.00 O ATOM 2467 CB ASN A 165 8.440 9.039 -11.885 1.00 0.00 C ATOM 2468 CG ASN A 165 7.086 8.730 -11.275 1.00 0.00 C ATOM 2469 OD1 ASN A 165 6.800 7.588 -10.920 1.00 0.00 O ATOM 2470 ND2 ASN A 165 6.244 9.750 -11.154 1.00 0.00 N ATOM 0 H ASN A 165 7.285 7.237 -13.133 1.00 0.00 H new ATOM 0 HA ASN A 165 9.989 8.086 -13.029 1.00 0.00 H new ATOM 0 HB2 ASN A 165 9.061 9.543 -11.144 1.00 0.00 H new ATOM 0 HB3 ASN A 165 8.310 9.732 -12.716 1.00 0.00 H new ATOM 0 HD21 ASN A 165 5.318 9.602 -10.753 1.00 0.00 H new ATOM 0 HD22 ASN A 165 6.524 10.681 -11.462 1.00 0.00 H new ATOM 2477 N TRP A 166 8.981 6.064 -10.662 1.00 0.00 N ATOM 2478 CA TRP A 166 9.451 5.264 -9.533 1.00 0.00 C ATOM 2479 C TRP A 166 10.488 4.242 -9.987 1.00 0.00 C ATOM 2480 O TRP A 166 11.646 4.293 -9.575 1.00 0.00 O ATOM 2481 CB TRP A 166 8.286 4.544 -8.848 1.00 0.00 C ATOM 2482 CG TRP A 166 7.610 5.359 -7.788 1.00 0.00 C ATOM 2483 CD1 TRP A 166 7.134 6.635 -7.907 1.00 0.00 C ATOM 2484 CD2 TRP A 166 7.333 4.952 -6.442 1.00 0.00 C ATOM 2485 NE1 TRP A 166 6.578 7.043 -6.719 1.00 0.00 N ATOM 2486 CE2 TRP A 166 6.687 6.028 -5.805 1.00 0.00 C ATOM 2487 CE3 TRP A 166 7.568 3.782 -5.715 1.00 0.00 C ATOM 2488 CZ2 TRP A 166 6.274 5.969 -4.478 1.00 0.00 C ATOM 2489 CZ3 TRP A 166 7.157 3.724 -4.397 1.00 0.00 C ATOM 2490 CH2 TRP A 166 6.516 4.811 -3.790 1.00 0.00 C ATOM 0 H TRP A 166 8.041 5.835 -10.985 1.00 0.00 H new ATOM 0 HA TRP A 166 9.913 5.945 -8.818 1.00 0.00 H new ATOM 0 HB2 TRP A 166 7.550 4.264 -9.602 1.00 0.00 H new ATOM 0 HB3 TRP A 166 8.654 3.620 -8.403 1.00 0.00 H new ATOM 0 HD1 TRP A 166 7.187 7.234 -8.804 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.153 7.954 -6.545 1.00 0.00 H new ATOM 0 HE3 TRP A 166 8.062 2.939 -6.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.780 6.807 -4.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.333 2.825 -3.825 1.00 0.00 H new ATOM 0 HH2 TRP A 166 6.206 4.734 -2.758 1.00 0.00 H new ATOM 2501 N ALA A 167 10.063 3.314 -10.843 1.00 0.00 N ATOM 2502 CA ALA A 167 10.956 2.279 -11.356 1.00 0.00 C ATOM 2503 C ALA A 167 12.063 2.867 -12.226 1.00 0.00 C ATOM 2504 O ALA A 167 13.012 2.169 -12.584 1.00 0.00 O ATOM 2505 CB ALA A 167 10.174 1.232 -12.133 1.00 0.00 C ATOM 0 H ALA A 167 9.107 3.258 -11.195 1.00 0.00 H new ATOM 0 HA ALA A 167 11.427 1.802 -10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 167 10.858 0.470 -12.507 1.00 0.00 H new ATOM 0 HB2 ALA A 167 9.437 0.768 -11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 167 9.666 1.706 -12.973 1.00 0.00 H new ATOM 2511 N SER A 168 11.954 4.155 -12.555 1.00 0.00 N ATOM 2512 CA SER A 168 12.966 4.819 -13.372 1.00 0.00 C ATOM 2513 C SER A 168 14.324 4.845 -12.665 1.00 0.00 C ATOM 2514 O SER A 168 15.288 5.406 -13.188 1.00 0.00 O ATOM 2515 CB SER A 168 12.538 6.250 -13.706 1.00 0.00 C ATOM 2516 OG SER A 168 13.633 7.006 -14.192 1.00 0.00 O ATOM 0 H SER A 168 11.180 4.754 -12.270 1.00 0.00 H new ATOM 0 HA SER A 168 13.065 4.247 -14.295 1.00 0.00 H new ATOM 0 HB2 SER A 168 11.744 6.231 -14.453 1.00 0.00 H new ATOM 0 HB3 SER A 168 12.128 6.728 -12.816 1.00 0.00 H new ATOM 0 HG SER A 168 14.424 6.431 -14.258 1.00 0.00 H new ATOM 2522 N VAL A 169 14.404 4.238 -11.481 1.00 0.00 N ATOM 2523 CA VAL A 169 15.645 4.200 -10.722 1.00 0.00 C ATOM 2524 C VAL A 169 16.572 3.090 -11.230 1.00 0.00 C ATOM 2525 O VAL A 169 17.245 2.426 -10.441 1.00 0.00 O ATOM 2526 CB VAL A 169 15.358 3.989 -9.219 1.00 0.00 C ATOM 2527 CG1 VAL A 169 14.777 2.605 -8.958 1.00 0.00 C ATOM 2528 CG2 VAL A 169 16.614 4.213 -8.395 1.00 0.00 C ATOM 0 H VAL A 169 13.620 3.766 -11.030 1.00 0.00 H new ATOM 0 HA VAL A 169 16.144 5.159 -10.860 1.00 0.00 H new ATOM 0 HB VAL A 169 14.614 4.725 -8.914 1.00 0.00 H new ATOM 0 HG11 VAL A 169 14.585 2.486 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 169 13.843 2.492 -9.509 1.00 0.00 H new ATOM 0 HG13 VAL A 169 15.486 1.845 -9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 169 16.389 4.059 -7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 169 17.385 3.509 -8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 169 16.971 5.232 -8.545 1.00 0.00 H new