USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= 0.258 K(o=0.35,f=-5.1!) USER MOD Set 1.2: A 81 THR OG1 : rot -170:sc=-0.00484 USER MOD Set 1.3: A 82 THR OG1 : rot 84:sc= 0.0983 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= -0.0967 USER MOD Set 2.2: A 17 ASN : amide:sc= 0 X(o=-0.097,f=-0.097) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 136:sc= 0.382 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0735 K(o=-0.074,f=-1.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.32 F(o=-2.1!,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -2.26! (180deg=-4.35!) USER MOD Single : A 41 SER OG : rot -100:sc= 1.18 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.089) USER MOD Single : A 51 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.04 F(o=-1.6,f=-1) USER MOD Single : A 73 MET CE :methyl -170:sc= -1.18 (180deg=-1.21) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.757 -5.527 -8.738 1.00 0.00 N ATOM 60 CA GLY A 7 -6.710 -4.763 -8.086 1.00 0.00 C ATOM 61 C GLY A 7 -6.433 -3.446 -8.783 1.00 0.00 C ATOM 62 O GLY A 7 -6.540 -3.349 -10.006 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.996 -4.570 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.795 -5.355 -8.059 1.00 0.00 H new ATOM 66 N ARG A 8 -6.077 -2.430 -8.005 1.00 0.00 N ATOM 67 CA ARG A 8 -5.786 -1.111 -8.556 1.00 0.00 C ATOM 68 C ARG A 8 -4.384 -0.655 -8.162 1.00 0.00 C ATOM 69 O ARG A 8 -4.001 -0.727 -6.995 1.00 0.00 O ATOM 70 CB ARG A 8 -6.820 -0.093 -8.071 1.00 0.00 C ATOM 71 CG ARG A 8 -7.039 -0.116 -6.567 1.00 0.00 C ATOM 72 CD ARG A 8 -8.299 0.640 -6.176 1.00 0.00 C ATOM 73 NE ARG A 8 -8.596 0.508 -4.752 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.754 0.864 -4.207 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.718 1.371 -4.963 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.949 0.714 -2.903 1.00 0.00 N ATOM 0 H ARG A 8 -5.983 -2.494 -6.991 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.835 -1.179 -9.643 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.501 0.906 -8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.769 -0.286 -8.571 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.112 -1.148 -6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.178 0.326 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.181 1.694 -6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.141 0.267 -6.758 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.875 0.121 -4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.571 1.488 -5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.606 1.644 -4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.209 0.325 -2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.839 0.988 -2.486 1.00 0.00 H new ATOM 90 N VAL A 9 -3.622 -0.186 -9.146 1.00 0.00 N ATOM 91 CA VAL A 9 -2.263 0.283 -8.903 1.00 0.00 C ATOM 92 C VAL A 9 -2.263 1.698 -8.336 1.00 0.00 C ATOM 93 O VAL A 9 -2.842 2.613 -8.922 1.00 0.00 O ATOM 94 CB VAL A 9 -1.422 0.258 -10.193 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.004 0.734 -9.915 1.00 0.00 C ATOM 96 CG2 VAL A 9 -1.416 -1.137 -10.798 1.00 0.00 C ATOM 0 H VAL A 9 -3.923 -0.121 -10.118 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.819 -0.396 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.874 0.939 -10.914 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.575 0.710 -10.838 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.031 1.754 -9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.461 0.080 -9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.817 -1.136 -11.709 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.989 -1.841 -10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.437 -1.435 -11.036 1.00 0.00 H new ATOM 106 N VAL A 10 -1.609 1.872 -7.192 1.00 0.00 N ATOM 107 CA VAL A 10 -1.531 3.177 -6.546 1.00 0.00 C ATOM 108 C VAL A 10 -0.090 3.668 -6.471 1.00 0.00 C ATOM 109 O VAL A 10 0.852 2.881 -6.567 1.00 0.00 O ATOM 110 CB VAL A 10 -2.122 3.135 -5.124 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.287 4.543 -4.572 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.451 2.394 -5.122 1.00 0.00 C ATOM 0 H VAL A 10 -1.125 1.125 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.115 3.867 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.430 2.596 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.706 4.493 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.316 5.036 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.958 5.110 -5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.855 2.374 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.153 2.904 -5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.299 1.373 -5.473 1.00 0.00 H new ATOM 122 N VAL A 11 0.076 4.975 -6.297 1.00 0.00 N ATOM 123 CA VAL A 11 1.403 5.573 -6.207 1.00 0.00 C ATOM 124 C VAL A 11 1.439 6.674 -5.154 1.00 0.00 C ATOM 125 O VAL A 11 0.465 7.405 -4.971 1.00 0.00 O ATOM 126 CB VAL A 11 1.848 6.157 -7.561 1.00 0.00 C ATOM 127 CG1 VAL A 11 3.200 6.841 -7.429 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.893 5.069 -8.622 1.00 0.00 C ATOM 0 H VAL A 11 -0.693 5.641 -6.215 1.00 0.00 H new ATOM 0 HA VAL A 11 2.090 4.777 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 11 1.118 6.905 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.498 7.247 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.129 7.650 -6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.943 6.117 -7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.209 5.500 -9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.600 4.296 -8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.902 4.630 -8.735 1.00 0.00 H new ATOM 138 N ILE A 12 2.569 6.787 -4.464 1.00 0.00 N ATOM 139 CA ILE A 12 2.733 7.801 -3.429 1.00 0.00 C ATOM 140 C ILE A 12 4.164 8.328 -3.397 1.00 0.00 C ATOM 141 O ILE A 12 5.112 7.601 -3.696 1.00 0.00 O ATOM 142 CB ILE A 12 2.370 7.249 -2.038 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.957 6.662 -2.051 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.485 8.344 -0.987 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.609 5.899 -0.792 1.00 0.00 C ATOM 0 H ILE A 12 3.384 6.190 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 12 2.054 8.617 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 12 3.071 6.454 -1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.238 7.470 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.856 5.997 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.225 7.938 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.508 8.720 -0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.804 9.159 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.407 5.511 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.305 5.070 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.677 6.565 0.068 1.00 0.00 H new ATOM 157 N LYS A 13 4.313 9.596 -3.032 1.00 0.00 N ATOM 158 CA LYS A 13 5.628 10.222 -2.957 1.00 0.00 C ATOM 159 C LYS A 13 5.833 10.899 -1.606 1.00 0.00 C ATOM 160 O LYS A 13 5.088 11.808 -1.236 1.00 0.00 O ATOM 161 CB LYS A 13 5.794 11.245 -4.083 1.00 0.00 C ATOM 162 CG LYS A 13 5.002 10.906 -5.334 1.00 0.00 C ATOM 163 CD LYS A 13 4.965 12.075 -6.304 1.00 0.00 C ATOM 164 CE LYS A 13 6.363 12.464 -6.761 1.00 0.00 C ATOM 165 NZ LYS A 13 6.330 13.331 -7.971 1.00 0.00 N ATOM 0 H LYS A 13 3.539 10.212 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 13 6.381 9.442 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.483 12.225 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.850 11.321 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.447 10.040 -5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.985 10.629 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.358 11.811 -7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.486 12.930 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.877 12.986 -5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.939 11.564 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.302 13.574 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.863 12.823 -8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.803 14.202 -7.760 1.00 0.00 H new ATOM 179 N LYS A 14 6.847 10.453 -0.873 1.00 0.00 N ATOM 180 CA LYS A 14 7.152 11.018 0.437 1.00 0.00 C ATOM 181 C LYS A 14 7.037 12.538 0.414 1.00 0.00 C ATOM 182 O LYS A 14 7.224 13.169 -0.626 1.00 0.00 O ATOM 183 CB LYS A 14 8.560 10.608 0.876 1.00 0.00 C ATOM 184 CG LYS A 14 8.718 10.494 2.382 1.00 0.00 C ATOM 185 CD LYS A 14 10.000 9.770 2.755 1.00 0.00 C ATOM 186 CE LYS A 14 9.859 8.264 2.588 1.00 0.00 C ATOM 187 NZ LYS A 14 11.180 7.578 2.603 1.00 0.00 N ATOM 0 H LYS A 14 7.472 9.701 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 14 6.427 10.628 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.809 9.650 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.276 11.338 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.720 11.490 2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.864 9.961 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.818 10.131 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.261 10.000 3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.235 7.867 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.349 8.049 1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.122 6.726 3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.442 7.308 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.900 8.220 2.990 1.00 0.00 H new ATOM 201 N GLY A 15 6.729 13.122 1.568 1.00 0.00 N ATOM 202 CA GLY A 15 6.596 14.564 1.658 1.00 0.00 C ATOM 203 C GLY A 15 7.188 15.122 2.937 1.00 0.00 C ATOM 204 O GLY A 15 8.398 15.052 3.151 1.00 0.00 O ATOM 0 H GLY A 15 6.569 12.622 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.088 15.025 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.541 14.833 1.602 1.00 0.00 H new ATOM 208 N SER A 16 6.334 15.680 3.789 1.00 0.00 N ATOM 209 CA SER A 16 6.780 16.258 5.051 1.00 0.00 C ATOM 210 C SER A 16 6.505 15.307 6.211 1.00 0.00 C ATOM 211 O SER A 16 7.377 15.053 7.041 1.00 0.00 O ATOM 212 CB SER A 16 6.083 17.597 5.298 1.00 0.00 C ATOM 213 OG SER A 16 4.682 17.427 5.426 1.00 0.00 O ATOM 0 H SER A 16 5.329 15.744 3.628 1.00 0.00 H new ATOM 0 HA SER A 16 7.855 16.423 4.986 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.481 18.056 6.203 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.296 18.279 4.475 1.00 0.00 H new ATOM 0 HG SER A 16 4.260 18.297 5.585 1.00 0.00 H new ATOM 219 N ASN A 17 5.284 14.784 6.263 1.00 0.00 N ATOM 220 CA ASN A 17 4.892 13.861 7.321 1.00 0.00 C ATOM 221 C ASN A 17 4.894 12.421 6.816 1.00 0.00 C ATOM 222 O ASN A 17 3.919 11.690 6.989 1.00 0.00 O ATOM 223 CB ASN A 17 3.505 14.224 7.855 1.00 0.00 C ATOM 224 CG ASN A 17 3.563 15.266 8.955 1.00 0.00 C ATOM 225 OD1 ASN A 17 3.385 16.458 8.706 1.00 0.00 O ATOM 226 ND2 ASN A 17 3.814 14.819 10.180 1.00 0.00 N ATOM 0 H ASN A 17 4.549 14.984 5.584 1.00 0.00 H new ATOM 0 HA ASN A 17 5.619 13.945 8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.890 14.598 7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.018 13.326 8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.866 15.473 10.961 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.955 13.822 10.340 1.00 0.00 H new ATOM 233 N GLY A 18 5.997 12.020 6.191 1.00 0.00 N ATOM 234 CA GLY A 18 6.106 10.670 5.671 1.00 0.00 C ATOM 235 C GLY A 18 5.086 10.382 4.587 1.00 0.00 C ATOM 236 O GLY A 18 4.486 11.302 4.030 1.00 0.00 O ATOM 0 H GLY A 18 6.817 12.606 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.109 10.518 5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.976 9.958 6.486 1.00 0.00 H new ATOM 240 N TYR A 19 4.890 9.103 4.285 1.00 0.00 N ATOM 241 CA TYR A 19 3.939 8.697 3.257 1.00 0.00 C ATOM 242 C TYR A 19 2.511 9.045 3.669 1.00 0.00 C ATOM 243 O TYR A 19 1.781 9.698 2.925 1.00 0.00 O ATOM 244 CB TYR A 19 4.054 7.196 2.991 1.00 0.00 C ATOM 245 CG TYR A 19 5.325 6.804 2.272 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.460 6.996 0.903 1.00 0.00 C ATOM 247 CD2 TYR A 19 6.392 6.242 2.963 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.619 6.639 0.242 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.556 5.883 2.310 1.00 0.00 C ATOM 250 CZ TYR A 19 7.664 6.083 0.950 1.00 0.00 C ATOM 251 OH TYR A 19 8.821 5.727 0.295 1.00 0.00 O ATOM 0 H TYR A 19 5.377 8.330 4.738 1.00 0.00 H new ATOM 0 HA TYR A 19 4.177 9.240 2.342 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.004 6.662 3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.197 6.874 2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.644 7.432 0.346 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.310 6.083 4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.707 6.794 -0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.376 5.448 2.862 1.00 0.00 H new ATOM 0 HH TYR A 19 9.458 5.351 0.938 1.00 0.00 H new ATOM 261 N GLY A 20 2.121 8.601 4.860 1.00 0.00 N ATOM 262 CA GLY A 20 0.783 8.875 5.351 1.00 0.00 C ATOM 263 C GLY A 20 -0.011 7.609 5.606 1.00 0.00 C ATOM 264 O GLY A 20 -0.958 7.609 6.392 1.00 0.00 O ATOM 0 H GLY A 20 2.707 8.057 5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.849 9.451 6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.253 9.493 4.626 1.00 0.00 H new ATOM 268 N PHE A 21 0.375 6.526 4.938 1.00 0.00 N ATOM 269 CA PHE A 21 -0.310 5.248 5.093 1.00 0.00 C ATOM 270 C PHE A 21 0.537 4.273 5.906 1.00 0.00 C ATOM 271 O PHE A 21 1.763 4.255 5.793 1.00 0.00 O ATOM 272 CB PHE A 21 -0.627 4.645 3.723 1.00 0.00 C ATOM 273 CG PHE A 21 0.533 3.920 3.104 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.473 4.605 2.350 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.684 2.554 3.275 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.542 3.941 1.779 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.752 1.884 2.707 1.00 0.00 C ATOM 278 CZ PHE A 21 2.681 2.579 1.957 1.00 0.00 C ATOM 0 H PHE A 21 1.158 6.508 4.285 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.243 5.427 5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.464 3.955 3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.949 5.440 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.369 5.670 2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.041 2.006 3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.268 4.487 1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.860 0.819 2.849 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.515 2.058 1.511 1.00 0.00 H new ATOM 288 N TYR A 22 -0.126 3.465 6.726 1.00 0.00 N ATOM 289 CA TYR A 22 0.565 2.490 7.561 1.00 0.00 C ATOM 290 C TYR A 22 0.211 1.066 7.142 1.00 0.00 C ATOM 291 O TYR A 22 -0.829 0.828 6.526 1.00 0.00 O ATOM 292 CB TYR A 22 0.207 2.703 9.033 1.00 0.00 C ATOM 293 CG TYR A 22 0.683 4.028 9.586 1.00 0.00 C ATOM 294 CD1 TYR A 22 1.997 4.197 10.004 1.00 0.00 C ATOM 295 CD2 TYR A 22 -0.181 5.110 9.689 1.00 0.00 C ATOM 296 CE1 TYR A 22 2.436 5.405 10.510 1.00 0.00 C ATOM 297 CE2 TYR A 22 0.249 6.323 10.193 1.00 0.00 C ATOM 298 CZ TYR A 22 1.558 6.465 10.602 1.00 0.00 C ATOM 299 OH TYR A 22 1.992 7.670 11.105 1.00 0.00 O ATOM 0 H TYR A 22 -1.141 3.466 6.830 1.00 0.00 H new ATOM 0 HA TYR A 22 1.638 2.633 7.430 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.875 2.638 9.148 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.639 1.896 9.624 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.687 3.370 9.932 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.207 5.002 9.370 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.461 5.519 10.832 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.436 7.155 10.266 1.00 0.00 H new ATOM 0 HH TYR A 22 1.251 8.312 11.101 1.00 0.00 H new ATOM 309 N LEU A 23 1.083 0.123 7.480 1.00 0.00 N ATOM 310 CA LEU A 23 0.865 -1.279 7.140 1.00 0.00 C ATOM 311 C LEU A 23 0.742 -2.132 8.399 1.00 0.00 C ATOM 312 O LEU A 23 1.453 -1.913 9.380 1.00 0.00 O ATOM 313 CB LEU A 23 2.010 -1.797 6.268 1.00 0.00 C ATOM 314 CG LEU A 23 2.047 -1.277 4.831 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.201 -1.906 4.065 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.726 -1.554 4.129 1.00 0.00 C ATOM 0 H LEU A 23 1.948 0.303 7.989 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.069 -1.351 6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.953 -1.540 6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.954 -2.885 6.238 1.00 0.00 H new ATOM 0 HG LEU A 23 2.201 -0.198 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.211 -1.524 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.142 -1.657 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.078 -2.989 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.771 -1.177 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.541 -2.628 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.082 -1.056 4.664 1.00 0.00 H new ATOM 328 N ARG A 24 -0.162 -3.105 8.362 1.00 0.00 N ATOM 329 CA ARG A 24 -0.376 -3.992 9.499 1.00 0.00 C ATOM 330 C ARG A 24 -0.541 -5.437 9.039 1.00 0.00 C ATOM 331 O ARG A 24 -1.176 -5.705 8.019 1.00 0.00 O ATOM 332 CB ARG A 24 -1.611 -3.553 10.289 1.00 0.00 C ATOM 333 CG ARG A 24 -1.774 -4.276 11.616 1.00 0.00 C ATOM 334 CD ARG A 24 -3.062 -3.873 12.316 1.00 0.00 C ATOM 335 NE ARG A 24 -3.059 -4.249 13.728 1.00 0.00 N ATOM 336 CZ ARG A 24 -2.353 -3.614 14.656 1.00 0.00 C ATOM 337 NH1 ARG A 24 -1.598 -2.575 14.325 1.00 0.00 N ATOM 338 NH2 ARG A 24 -2.402 -4.016 15.920 1.00 0.00 N ATOM 0 H ARG A 24 -0.758 -3.299 7.557 1.00 0.00 H new ATOM 0 HA ARG A 24 0.501 -3.933 10.144 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.551 -2.481 10.474 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.500 -3.722 9.681 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.772 -5.353 11.447 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.923 -4.053 12.260 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.200 -2.795 12.228 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.909 -4.345 11.817 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.631 -5.043 14.017 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.559 -2.262 13.355 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.057 -2.089 15.040 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.982 -4.814 16.179 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.859 -3.527 16.632 1.00 0.00 H new ATOM 352 N ALA A 25 0.037 -6.363 9.796 1.00 0.00 N ATOM 353 CA ALA A 25 -0.046 -7.781 9.467 1.00 0.00 C ATOM 354 C ALA A 25 -1.487 -8.277 9.536 1.00 0.00 C ATOM 355 O ALA A 25 -2.015 -8.530 10.618 1.00 0.00 O ATOM 356 CB ALA A 25 0.839 -8.593 10.400 1.00 0.00 C ATOM 0 H ALA A 25 0.568 -6.157 10.642 1.00 0.00 H new ATOM 0 HA ALA A 25 0.308 -7.912 8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.767 -9.650 10.142 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.873 -8.265 10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.512 -8.448 11.430 1.00 0.00 H new ATOM 362 N GLY A 26 -2.118 -8.412 8.374 1.00 0.00 N ATOM 363 CA GLY A 26 -3.492 -8.876 8.325 1.00 0.00 C ATOM 364 C GLY A 26 -3.617 -10.352 8.649 1.00 0.00 C ATOM 365 O GLY A 26 -2.634 -11.030 8.946 1.00 0.00 O ATOM 0 H GLY A 26 -1.702 -8.208 7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.092 -8.300 9.030 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.900 -8.689 7.332 1.00 0.00 H new ATOM 369 N PRO A 27 -4.853 -10.871 8.593 1.00 0.00 N ATOM 370 CA PRO A 27 -5.133 -12.281 8.881 1.00 0.00 C ATOM 371 C PRO A 27 -4.587 -13.212 7.803 1.00 0.00 C ATOM 372 O PRO A 27 -3.901 -12.772 6.880 1.00 0.00 O ATOM 373 CB PRO A 27 -6.662 -12.340 8.914 1.00 0.00 C ATOM 374 CG PRO A 27 -7.103 -11.200 8.062 1.00 0.00 C ATOM 375 CD PRO A 27 -6.072 -10.122 8.246 1.00 0.00 C ATOM 0 HA PRO A 27 -4.660 -12.610 9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.030 -13.290 8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.040 -12.243 9.932 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.173 -11.499 7.016 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.091 -10.850 8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.938 -9.535 7.337 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.355 -9.426 9.036 1.00 0.00 H new ATOM 383 N GLU A 28 -4.898 -14.498 7.925 1.00 0.00 N ATOM 384 CA GLU A 28 -4.438 -15.490 6.960 1.00 0.00 C ATOM 385 C GLU A 28 -4.430 -14.912 5.548 1.00 0.00 C ATOM 386 O GLU A 28 -3.615 -15.300 4.712 1.00 0.00 O ATOM 387 CB GLU A 28 -5.328 -16.733 7.010 1.00 0.00 C ATOM 388 CG GLU A 28 -5.349 -17.414 8.368 1.00 0.00 C ATOM 389 CD GLU A 28 -4.020 -18.052 8.721 1.00 0.00 C ATOM 390 OE1 GLU A 28 -3.283 -18.442 7.792 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.717 -18.161 9.928 1.00 0.00 O ATOM 0 H GLU A 28 -5.466 -14.878 8.682 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.419 -15.772 7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.346 -16.452 6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.984 -17.446 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.611 -16.683 9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.127 -18.177 8.376 1.00 0.00 H new ATOM 398 N GLN A 29 -5.345 -13.983 5.290 1.00 0.00 N ATOM 399 CA GLN A 29 -5.445 -13.353 3.979 1.00 0.00 C ATOM 400 C GLN A 29 -4.068 -12.943 3.466 1.00 0.00 C ATOM 401 O GLN A 29 -3.188 -12.574 4.244 1.00 0.00 O ATOM 402 CB GLN A 29 -6.362 -12.130 4.046 1.00 0.00 C ATOM 403 CG GLN A 29 -7.808 -12.471 4.368 1.00 0.00 C ATOM 404 CD GLN A 29 -8.575 -12.965 3.157 1.00 0.00 C ATOM 405 OE1 GLN A 29 -8.147 -12.777 2.018 1.00 0.00 O ATOM 406 NE2 GLN A 29 -9.715 -13.602 3.398 1.00 0.00 N ATOM 0 H GLN A 29 -6.027 -13.650 5.971 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.870 -14.079 3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.982 -11.443 4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.325 -11.606 3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.833 -13.235 5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.304 -11.589 4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.032 -13.735 4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.274 -13.958 2.623 1.00 0.00 H new ATOM 415 N LYS A 30 -3.888 -13.010 2.152 1.00 0.00 N ATOM 416 CA LYS A 30 -2.619 -12.646 1.533 1.00 0.00 C ATOM 417 C LYS A 30 -2.544 -11.141 1.291 1.00 0.00 C ATOM 418 O LYS A 30 -3.387 -10.571 0.600 1.00 0.00 O ATOM 419 CB LYS A 30 -2.438 -13.395 0.211 1.00 0.00 C ATOM 420 CG LYS A 30 -1.737 -14.734 0.362 1.00 0.00 C ATOM 421 CD LYS A 30 -2.704 -15.825 0.790 1.00 0.00 C ATOM 422 CE LYS A 30 -2.790 -15.931 2.305 1.00 0.00 C ATOM 423 NZ LYS A 30 -1.726 -16.811 2.861 1.00 0.00 N ATOM 0 H LYS A 30 -4.606 -13.313 1.494 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.817 -12.928 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.416 -13.555 -0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.866 -12.770 -0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.271 -15.010 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.938 -14.646 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.693 -15.616 0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.383 -16.780 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.705 -14.937 2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.768 -16.321 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.819 -16.857 3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.822 -17.767 2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.792 -16.425 2.614 1.00 0.00 H new ATOM 437 N GLY A 31 -1.527 -10.504 1.864 1.00 0.00 N ATOM 438 CA GLY A 31 -1.361 -9.072 1.697 1.00 0.00 C ATOM 439 C GLY A 31 -1.522 -8.314 3.000 1.00 0.00 C ATOM 440 O GLY A 31 -2.171 -8.795 3.929 1.00 0.00 O ATOM 0 H GLY A 31 -0.816 -10.954 2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.374 -8.870 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.091 -8.706 0.975 1.00 0.00 H new ATOM 444 N GLN A 32 -0.930 -7.126 3.069 1.00 0.00 N ATOM 445 CA GLN A 32 -1.010 -6.302 4.269 1.00 0.00 C ATOM 446 C GLN A 32 -2.285 -5.466 4.272 1.00 0.00 C ATOM 447 O GLN A 32 -3.033 -5.454 3.293 1.00 0.00 O ATOM 448 CB GLN A 32 0.213 -5.388 4.368 1.00 0.00 C ATOM 449 CG GLN A 32 1.537 -6.132 4.288 1.00 0.00 C ATOM 450 CD GLN A 32 1.604 -7.307 5.243 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.073 -7.055 6.460 1.00 0.00 O flip ATOM 452 NE2 GLN A 32 1.239 -8.429 4.891 1.00 0.00 N flip ATOM 0 H GLN A 32 -0.390 -6.713 2.309 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.031 -6.965 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.171 -4.651 3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.171 -4.839 5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.689 -6.488 3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.351 -5.442 4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.885 -8.577 3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.290 -9.210 5.545 1.00 0.00 H new ATOM 461 N ILE A 33 -2.528 -4.769 5.376 1.00 0.00 N ATOM 462 CA ILE A 33 -3.713 -3.930 5.505 1.00 0.00 C ATOM 463 C ILE A 33 -3.333 -2.486 5.818 1.00 0.00 C ATOM 464 O ILE A 33 -2.493 -2.228 6.681 1.00 0.00 O ATOM 465 CB ILE A 33 -4.655 -4.451 6.606 1.00 0.00 C ATOM 466 CG1 ILE A 33 -4.845 -5.963 6.470 1.00 0.00 C ATOM 467 CG2 ILE A 33 -5.995 -3.735 6.539 1.00 0.00 C ATOM 468 CD1 ILE A 33 -5.924 -6.520 7.372 1.00 0.00 C ATOM 0 H ILE A 33 -1.920 -4.768 6.195 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.232 -3.968 4.547 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.204 -4.246 7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.091 -6.198 5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.902 -6.461 6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.650 -4.114 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.843 -2.665 6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.454 -3.912 5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.003 -7.597 7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.670 -6.316 8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.877 -6.049 7.132 1.00 0.00 H new ATOM 480 N ILE A 34 -3.958 -1.550 5.113 1.00 0.00 N ATOM 481 CA ILE A 34 -3.688 -0.132 5.318 1.00 0.00 C ATOM 482 C ILE A 34 -4.639 0.465 6.349 1.00 0.00 C ATOM 483 O ILE A 34 -5.798 0.060 6.450 1.00 0.00 O ATOM 484 CB ILE A 34 -3.811 0.660 4.003 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.795 0.151 2.979 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.612 2.147 4.260 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.725 0.995 1.726 1.00 0.00 C ATOM 0 H ILE A 34 -4.655 -1.747 4.395 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.664 -0.055 5.684 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.812 0.511 3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.809 0.120 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.050 -0.872 2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.702 2.694 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.370 2.500 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.622 2.314 4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.984 0.575 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.700 1.005 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.440 2.014 1.989 1.00 0.00 H new ATOM 499 N LYS A 35 -4.143 1.433 7.113 1.00 0.00 N ATOM 500 CA LYS A 35 -4.949 2.090 8.136 1.00 0.00 C ATOM 501 C LYS A 35 -4.197 3.268 8.746 1.00 0.00 C ATOM 502 O LYS A 35 -3.006 3.455 8.495 1.00 0.00 O ATOM 503 CB LYS A 35 -5.332 1.093 9.232 1.00 0.00 C ATOM 504 CG LYS A 35 -4.163 0.261 9.733 1.00 0.00 C ATOM 505 CD LYS A 35 -4.616 -1.111 10.203 1.00 0.00 C ATOM 506 CE LYS A 35 -5.311 -1.035 11.554 1.00 0.00 C ATOM 507 NZ LYS A 35 -6.475 -0.107 11.528 1.00 0.00 N ATOM 0 H LYS A 35 -3.186 1.780 7.043 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.856 2.466 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.766 1.637 10.071 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.105 0.426 8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.427 0.149 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.669 0.783 10.553 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.294 -1.543 9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.755 -1.776 10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.646 -2.030 11.846 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.599 -0.704 12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.128 -0.347 12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.142 0.871 11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.969 -0.196 10.617 1.00 0.00 H new ATOM 521 N ASP A 36 -4.899 4.060 9.549 1.00 0.00 N ATOM 522 CA ASP A 36 -4.298 5.219 10.198 1.00 0.00 C ATOM 523 C ASP A 36 -3.774 6.210 9.162 1.00 0.00 C ATOM 524 O ASP A 36 -2.694 6.780 9.325 1.00 0.00 O ATOM 525 CB ASP A 36 -3.161 4.780 11.122 1.00 0.00 C ATOM 526 CG ASP A 36 -3.667 4.094 12.376 1.00 0.00 C ATOM 527 OD1 ASP A 36 -3.902 2.868 12.326 1.00 0.00 O ATOM 528 OD2 ASP A 36 -3.829 4.781 13.405 1.00 0.00 O ATOM 0 H ASP A 36 -5.886 3.920 9.766 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.068 5.713 10.791 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.499 4.103 10.582 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.567 5.650 11.402 1.00 0.00 H new ATOM 533 N ILE A 37 -4.544 6.409 8.099 1.00 0.00 N ATOM 534 CA ILE A 37 -4.158 7.331 7.037 1.00 0.00 C ATOM 535 C ILE A 37 -4.101 8.766 7.549 1.00 0.00 C ATOM 536 O ILE A 37 -4.958 9.193 8.322 1.00 0.00 O ATOM 537 CB ILE A 37 -5.133 7.260 5.847 1.00 0.00 C ATOM 538 CG1 ILE A 37 -4.991 5.920 5.123 1.00 0.00 C ATOM 539 CG2 ILE A 37 -4.884 8.415 4.889 1.00 0.00 C ATOM 540 CD1 ILE A 37 -5.940 5.761 3.956 1.00 0.00 C ATOM 0 H ILE A 37 -5.440 5.944 7.949 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.166 7.028 6.701 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.152 7.341 6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.967 5.816 4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.163 5.112 5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.581 8.351 4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.031 9.360 5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.862 8.363 4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.784 4.788 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.968 5.832 4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.753 6.548 3.225 1.00 0.00 H new ATOM 552 N GLU A 38 -3.087 9.505 7.111 1.00 0.00 N ATOM 553 CA GLU A 38 -2.920 10.894 7.525 1.00 0.00 C ATOM 554 C GLU A 38 -3.625 11.839 6.556 1.00 0.00 C ATOM 555 O GLU A 38 -3.674 11.607 5.347 1.00 0.00 O ATOM 556 CB GLU A 38 -1.434 11.248 7.610 1.00 0.00 C ATOM 557 CG GLU A 38 -0.650 10.361 8.562 1.00 0.00 C ATOM 558 CD GLU A 38 -0.751 10.821 10.004 1.00 0.00 C ATOM 559 OE1 GLU A 38 -0.812 12.048 10.231 1.00 0.00 O ATOM 560 OE2 GLU A 38 -0.767 9.956 10.904 1.00 0.00 O ATOM 0 H GLU A 38 -2.369 9.166 6.470 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.371 11.010 8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.995 11.176 6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.334 12.286 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.017 9.337 8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.398 10.348 8.261 1.00 0.00 H new ATOM 567 N PRO A 39 -4.185 12.930 7.097 1.00 0.00 N ATOM 568 CA PRO A 39 -4.898 13.933 6.299 1.00 0.00 C ATOM 569 C PRO A 39 -3.960 14.737 5.406 1.00 0.00 C ATOM 570 O PRO A 39 -2.810 14.989 5.765 1.00 0.00 O ATOM 571 CB PRO A 39 -5.537 14.838 7.356 1.00 0.00 C ATOM 572 CG PRO A 39 -4.671 14.687 8.558 1.00 0.00 C ATOM 573 CD PRO A 39 -4.166 13.271 8.530 1.00 0.00 C ATOM 0 HA PRO A 39 -5.616 13.477 5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.572 15.875 7.021 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.563 14.537 7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.844 15.397 8.535 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.233 14.883 9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.162 13.194 8.948 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.805 12.605 9.110 1.00 0.00 H new ATOM 581 N GLY A 40 -4.458 15.139 4.241 1.00 0.00 N ATOM 582 CA GLY A 40 -3.650 15.911 3.315 1.00 0.00 C ATOM 583 C GLY A 40 -2.276 15.308 3.103 1.00 0.00 C ATOM 584 O GLY A 40 -1.320 16.019 2.791 1.00 0.00 O ATOM 0 H GLY A 40 -5.407 14.944 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.165 15.979 2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.543 16.928 3.692 1.00 0.00 H new ATOM 588 N SER A 41 -2.175 13.994 3.273 1.00 0.00 N ATOM 589 CA SER A 41 -0.906 13.296 3.103 1.00 0.00 C ATOM 590 C SER A 41 -0.835 12.623 1.735 1.00 0.00 C ATOM 591 O SER A 41 -1.851 12.307 1.117 1.00 0.00 O ATOM 592 CB SER A 41 -0.721 12.253 4.207 1.00 0.00 C ATOM 593 OG SER A 41 -1.474 11.084 3.935 1.00 0.00 O ATOM 0 H SER A 41 -2.957 13.391 3.528 1.00 0.00 H new ATOM 0 HA SER A 41 -0.104 14.031 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.335 11.997 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.029 12.673 5.164 1.00 0.00 H new ATOM 0 HG SER A 41 -2.299 11.096 4.464 1.00 0.00 H new ATOM 599 N PRO A 42 0.396 12.398 1.251 1.00 0.00 N ATOM 600 CA PRO A 42 0.631 11.761 -0.048 1.00 0.00 C ATOM 601 C PRO A 42 -0.197 10.494 -0.230 1.00 0.00 C ATOM 602 O PRO A 42 -0.495 10.092 -1.354 1.00 0.00 O ATOM 603 CB PRO A 42 2.123 11.424 -0.012 1.00 0.00 C ATOM 604 CG PRO A 42 2.713 12.414 0.932 1.00 0.00 C ATOM 605 CD PRO A 42 1.652 12.749 1.934 1.00 0.00 C ATOM 0 HA PRO A 42 0.346 12.408 -0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.290 10.403 0.330 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.571 11.506 -1.002 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.592 12.000 1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.037 13.308 0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.778 12.180 2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.678 13.804 2.205 1.00 0.00 H new ATOM 613 N ALA A 43 -0.567 9.869 0.883 1.00 0.00 N ATOM 614 CA ALA A 43 -1.363 8.648 0.846 1.00 0.00 C ATOM 615 C ALA A 43 -2.828 8.957 0.554 1.00 0.00 C ATOM 616 O ALA A 43 -3.434 8.354 -0.331 1.00 0.00 O ATOM 617 CB ALA A 43 -1.233 7.893 2.160 1.00 0.00 C ATOM 0 H ALA A 43 -0.328 10.188 1.822 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.983 8.020 0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.833 6.984 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.188 7.631 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.585 8.522 2.978 1.00 0.00 H new ATOM 623 N GLU A 44 -3.390 9.900 1.304 1.00 0.00 N ATOM 624 CA GLU A 44 -4.785 10.286 1.125 1.00 0.00 C ATOM 625 C GLU A 44 -4.989 10.979 -0.219 1.00 0.00 C ATOM 626 O GLU A 44 -6.048 10.862 -0.835 1.00 0.00 O ATOM 627 CB GLU A 44 -5.231 11.210 2.260 1.00 0.00 C ATOM 628 CG GLU A 44 -6.699 11.595 2.191 1.00 0.00 C ATOM 629 CD GLU A 44 -7.261 11.997 3.540 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.626 11.094 4.323 1.00 0.00 O ATOM 631 OE2 GLU A 44 -7.338 13.212 3.814 1.00 0.00 O ATOM 0 H GLU A 44 -2.902 10.410 2.040 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.391 9.380 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.037 10.719 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.625 12.116 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.822 12.421 1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.273 10.756 1.798 1.00 0.00 H new ATOM 638 N ALA A 45 -3.968 11.702 -0.667 1.00 0.00 N ATOM 639 CA ALA A 45 -4.034 12.412 -1.938 1.00 0.00 C ATOM 640 C ALA A 45 -3.734 11.478 -3.106 1.00 0.00 C ATOM 641 O ALA A 45 -4.138 11.737 -4.239 1.00 0.00 O ATOM 642 CB ALA A 45 -3.066 13.587 -1.937 1.00 0.00 C ATOM 0 H ALA A 45 -3.085 11.811 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.049 12.791 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.126 14.108 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.328 14.274 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.050 13.221 -1.786 1.00 0.00 H new ATOM 648 N ALA A 46 -3.022 10.393 -2.821 1.00 0.00 N ATOM 649 CA ALA A 46 -2.669 9.420 -3.848 1.00 0.00 C ATOM 650 C ALA A 46 -3.898 8.650 -4.320 1.00 0.00 C ATOM 651 O ALA A 46 -3.961 8.204 -5.464 1.00 0.00 O ATOM 652 CB ALA A 46 -1.611 8.460 -3.324 1.00 0.00 C ATOM 0 H ALA A 46 -2.678 10.165 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.262 9.961 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.357 7.739 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.719 9.020 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.998 7.932 -2.452 1.00 0.00 H new ATOM 658 N GLY A 47 -4.873 8.497 -3.429 1.00 0.00 N ATOM 659 CA GLY A 47 -6.086 7.779 -3.773 1.00 0.00 C ATOM 660 C GLY A 47 -6.271 6.522 -2.946 1.00 0.00 C ATOM 661 O GLY A 47 -7.182 5.732 -3.199 1.00 0.00 O ATOM 0 H GLY A 47 -4.844 8.858 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.945 8.434 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.060 7.514 -4.830 1.00 0.00 H new ATOM 665 N LEU A 48 -5.404 6.334 -1.957 1.00 0.00 N ATOM 666 CA LEU A 48 -5.475 5.163 -1.091 1.00 0.00 C ATOM 667 C LEU A 48 -6.831 5.079 -0.398 1.00 0.00 C ATOM 668 O LEU A 48 -7.721 5.891 -0.650 1.00 0.00 O ATOM 669 CB LEU A 48 -4.358 5.208 -0.047 1.00 0.00 C ATOM 670 CG LEU A 48 -3.035 4.556 -0.450 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.079 4.512 0.732 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.275 3.157 -0.997 1.00 0.00 C ATOM 0 H LEU A 48 -4.644 6.977 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.349 4.275 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.164 6.251 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.717 4.723 0.861 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.580 5.159 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.143 4.045 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.882 5.527 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.526 3.933 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.323 2.708 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.753 2.544 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.922 3.215 -1.872 1.00 0.00 H new ATOM 684 N LYS A 49 -6.982 4.092 0.479 1.00 0.00 N ATOM 685 CA LYS A 49 -8.228 3.902 1.212 1.00 0.00 C ATOM 686 C LYS A 49 -8.008 3.028 2.442 1.00 0.00 C ATOM 687 O LYS A 49 -7.343 1.995 2.370 1.00 0.00 O ATOM 688 CB LYS A 49 -9.286 3.269 0.306 1.00 0.00 C ATOM 689 CG LYS A 49 -9.841 4.221 -0.739 1.00 0.00 C ATOM 690 CD LYS A 49 -11.255 3.842 -1.144 1.00 0.00 C ATOM 691 CE LYS A 49 -11.753 4.697 -2.300 1.00 0.00 C ATOM 692 NZ LYS A 49 -12.174 6.052 -1.846 1.00 0.00 N ATOM 0 H LYS A 49 -6.256 3.411 0.699 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.579 4.880 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.852 2.405 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.106 2.901 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.834 5.238 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.196 4.214 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.283 2.790 -1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.923 3.958 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.965 4.793 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.593 4.199 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.507 6.604 -2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.943 5.962 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.366 6.537 -1.406 1.00 0.00 H new ATOM 706 N ASN A 50 -8.572 3.448 3.570 1.00 0.00 N ATOM 707 CA ASN A 50 -8.437 2.702 4.816 1.00 0.00 C ATOM 708 C ASN A 50 -8.857 1.247 4.627 1.00 0.00 C ATOM 709 O ASN A 50 -9.763 0.948 3.850 1.00 0.00 O ATOM 710 CB ASN A 50 -9.282 3.349 5.916 1.00 0.00 C ATOM 711 CG ASN A 50 -8.898 4.795 6.163 1.00 0.00 C ATOM 712 OD1 ASN A 50 -9.520 5.714 5.628 1.00 0.00 O ATOM 713 ND2 ASN A 50 -7.870 5.004 6.977 1.00 0.00 N ATOM 0 H ASN A 50 -9.127 4.301 3.647 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.388 2.724 5.112 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.335 3.297 5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.167 2.782 6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.567 5.956 7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.384 4.212 7.398 1.00 0.00 H new ATOM 720 N ASN A 51 -8.191 0.347 5.343 1.00 0.00 N ATOM 721 CA ASN A 51 -8.494 -1.076 5.255 1.00 0.00 C ATOM 722 C ASN A 51 -8.242 -1.600 3.844 1.00 0.00 C ATOM 723 O ASN A 51 -9.005 -2.417 3.328 1.00 0.00 O ATOM 724 CB ASN A 51 -9.949 -1.335 5.654 1.00 0.00 C ATOM 725 CG ASN A 51 -10.151 -1.298 7.156 1.00 0.00 C ATOM 726 OD1 ASN A 51 -9.188 -1.291 7.924 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.408 -1.273 7.584 1.00 0.00 N ATOM 0 H ASN A 51 -7.438 0.578 5.991 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.835 -1.605 5.944 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.590 -0.588 5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.260 -2.307 5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.606 -1.247 8.584 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.176 -1.280 6.912 1.00 0.00 H new ATOM 734 N ASP A 52 -7.167 -1.123 3.225 1.00 0.00 N ATOM 735 CA ASP A 52 -6.813 -1.543 1.875 1.00 0.00 C ATOM 736 C ASP A 52 -5.861 -2.735 1.909 1.00 0.00 C ATOM 737 O ASP A 52 -4.811 -2.687 2.551 1.00 0.00 O ATOM 738 CB ASP A 52 -6.172 -0.385 1.109 1.00 0.00 C ATOM 739 CG ASP A 52 -7.192 0.444 0.354 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.395 0.113 0.422 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.789 1.426 -0.304 1.00 0.00 O ATOM 0 H ASP A 52 -6.526 -0.445 3.637 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.727 -1.845 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.633 0.255 1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.438 -0.780 0.407 1.00 0.00 H new ATOM 746 N LEU A 53 -6.235 -3.804 1.215 1.00 0.00 N ATOM 747 CA LEU A 53 -5.416 -5.010 1.166 1.00 0.00 C ATOM 748 C LEU A 53 -4.475 -4.981 -0.034 1.00 0.00 C ATOM 749 O LEU A 53 -4.913 -5.065 -1.182 1.00 0.00 O ATOM 750 CB LEU A 53 -6.305 -6.253 1.102 1.00 0.00 C ATOM 751 CG LEU A 53 -5.609 -7.590 1.357 1.00 0.00 C ATOM 752 CD1 LEU A 53 -5.181 -7.700 2.812 1.00 0.00 C ATOM 753 CD2 LEU A 53 -6.523 -8.748 0.980 1.00 0.00 C ATOM 0 H LEU A 53 -7.100 -3.860 0.678 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.815 -5.048 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.107 -6.139 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.772 -6.291 0.118 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.717 -7.638 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.687 -8.658 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.490 -6.891 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.058 -7.630 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.011 -9.692 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.433 -8.703 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.780 -8.679 -0.077 1.00 0.00 H new ATOM 765 N VAL A 54 -3.179 -4.864 0.239 1.00 0.00 N ATOM 766 CA VAL A 54 -2.176 -4.827 -0.819 1.00 0.00 C ATOM 767 C VAL A 54 -1.609 -6.217 -1.087 1.00 0.00 C ATOM 768 O VAL A 54 -1.180 -6.913 -0.167 1.00 0.00 O ATOM 769 CB VAL A 54 -1.020 -3.874 -0.462 1.00 0.00 C ATOM 770 CG1 VAL A 54 -0.028 -3.784 -1.612 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.557 -2.497 -0.101 1.00 0.00 C ATOM 0 H VAL A 54 -2.799 -4.793 1.183 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.675 -4.462 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.497 -4.274 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.782 -3.106 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.380 -4.773 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.535 -3.408 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.727 -1.837 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.105 -2.086 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.225 -2.580 0.757 1.00 0.00 H new ATOM 781 N VAL A 55 -1.611 -6.616 -2.355 1.00 0.00 N ATOM 782 CA VAL A 55 -1.096 -7.923 -2.746 1.00 0.00 C ATOM 783 C VAL A 55 0.206 -7.789 -3.528 1.00 0.00 C ATOM 784 O VAL A 55 1.011 -8.718 -3.576 1.00 0.00 O ATOM 785 CB VAL A 55 -2.118 -8.696 -3.601 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.373 -8.993 -2.795 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.456 -7.915 -4.862 1.00 0.00 C ATOM 0 H VAL A 55 -1.964 -6.053 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.909 -8.478 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.673 -9.646 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.083 -9.539 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.113 -9.596 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.824 -8.057 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.179 -8.476 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.881 -6.949 -4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.550 -7.760 -5.448 1.00 0.00 H new ATOM 797 N ALA A 56 0.406 -6.626 -4.139 1.00 0.00 N ATOM 798 CA ALA A 56 1.612 -6.368 -4.917 1.00 0.00 C ATOM 799 C ALA A 56 2.129 -4.954 -4.676 1.00 0.00 C ATOM 800 O ALA A 56 1.349 -4.020 -4.489 1.00 0.00 O ATOM 801 CB ALA A 56 1.341 -6.588 -6.398 1.00 0.00 C ATOM 0 H ALA A 56 -0.252 -5.847 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 56 2.382 -7.068 -4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.250 -6.392 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.026 -7.619 -6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.553 -5.911 -6.728 1.00 0.00 H new ATOM 807 N VAL A 57 3.450 -4.804 -4.680 1.00 0.00 N ATOM 808 CA VAL A 57 4.072 -3.503 -4.463 1.00 0.00 C ATOM 809 C VAL A 57 5.157 -3.232 -5.499 1.00 0.00 C ATOM 810 O VAL A 57 6.144 -3.962 -5.584 1.00 0.00 O ATOM 811 CB VAL A 57 4.686 -3.403 -3.054 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.306 -2.031 -2.837 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.636 -3.696 -1.993 1.00 0.00 C ATOM 0 H VAL A 57 4.110 -5.567 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 57 3.285 -2.756 -4.562 1.00 0.00 H new ATOM 0 HB VAL A 57 5.475 -4.150 -2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.735 -1.980 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.090 -1.865 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.539 -1.264 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.088 -3.621 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.823 -2.975 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.244 -4.703 -2.137 1.00 0.00 H new ATOM 823 N ASN A 58 4.967 -2.178 -6.285 1.00 0.00 N ATOM 824 CA ASN A 58 5.930 -1.810 -7.316 1.00 0.00 C ATOM 825 C ASN A 58 6.137 -2.957 -8.301 1.00 0.00 C ATOM 826 O ASN A 58 7.241 -3.169 -8.800 1.00 0.00 O ATOM 827 CB ASN A 58 7.266 -1.422 -6.681 1.00 0.00 C ATOM 828 CG ASN A 58 7.311 0.038 -6.274 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.727 0.897 -6.936 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.005 0.326 -5.179 1.00 0.00 N ATOM 0 H ASN A 58 4.155 -1.563 -6.228 1.00 0.00 H new ATOM 0 HA ASN A 58 5.532 -0.954 -7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.444 -2.046 -5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.072 -1.625 -7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.070 1.291 -4.855 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.473 -0.418 -4.661 1.00 0.00 H new ATOM 837 N GLY A 59 5.064 -3.693 -8.577 1.00 0.00 N ATOM 838 CA GLY A 59 5.149 -4.809 -9.502 1.00 0.00 C ATOM 839 C GLY A 59 5.870 -6.002 -8.907 1.00 0.00 C ATOM 840 O GLY A 59 6.547 -6.745 -9.617 1.00 0.00 O ATOM 0 H GLY A 59 4.139 -3.537 -8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.144 -5.107 -9.800 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.667 -4.489 -10.406 1.00 0.00 H new ATOM 844 N LYS A 60 5.727 -6.185 -7.598 1.00 0.00 N ATOM 845 CA LYS A 60 6.370 -7.296 -6.906 1.00 0.00 C ATOM 846 C LYS A 60 5.412 -7.946 -5.914 1.00 0.00 C ATOM 847 O LYS A 60 4.765 -7.262 -5.121 1.00 0.00 O ATOM 848 CB LYS A 60 7.625 -6.811 -6.177 1.00 0.00 C ATOM 849 CG LYS A 60 8.735 -6.361 -7.110 1.00 0.00 C ATOM 850 CD LYS A 60 9.497 -7.545 -7.683 1.00 0.00 C ATOM 851 CE LYS A 60 10.476 -7.109 -8.762 1.00 0.00 C ATOM 852 NZ LYS A 60 11.567 -8.104 -8.955 1.00 0.00 N ATOM 0 H LYS A 60 5.171 -5.578 -6.995 1.00 0.00 H new ATOM 0 HA LYS A 60 6.654 -8.040 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.356 -5.984 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.999 -7.614 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.311 -5.772 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.424 -5.711 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.037 -8.052 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.793 -8.265 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.942 -6.969 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.907 -6.145 -8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.213 -7.771 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.093 -8.220 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.158 -9.018 -9.236 1.00 0.00 H new ATOM 866 N SER A 61 5.326 -9.272 -5.962 1.00 0.00 N ATOM 867 CA SER A 61 4.445 -10.014 -5.068 1.00 0.00 C ATOM 868 C SER A 61 4.901 -9.877 -3.619 1.00 0.00 C ATOM 869 O SER A 61 5.895 -10.477 -3.209 1.00 0.00 O ATOM 870 CB SER A 61 4.408 -11.491 -5.466 1.00 0.00 C ATOM 871 OG SER A 61 4.421 -11.641 -6.875 1.00 0.00 O ATOM 0 H SER A 61 5.856 -9.854 -6.611 1.00 0.00 H new ATOM 0 HA SER A 61 3.442 -9.596 -5.156 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.265 -12.009 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.513 -11.959 -5.056 1.00 0.00 H new ATOM 0 HG SER A 61 4.399 -12.594 -7.103 1.00 0.00 H new ATOM 877 N VAL A 62 4.166 -9.083 -2.847 1.00 0.00 N ATOM 878 CA VAL A 62 4.492 -8.867 -1.442 1.00 0.00 C ATOM 879 C VAL A 62 3.541 -9.635 -0.532 1.00 0.00 C ATOM 880 O VAL A 62 3.842 -9.875 0.636 1.00 0.00 O ATOM 881 CB VAL A 62 4.438 -7.371 -1.077 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.221 -6.546 -2.088 1.00 0.00 C ATOM 883 CG2 VAL A 62 2.996 -6.896 -0.992 1.00 0.00 C ATOM 0 H VAL A 62 3.341 -8.579 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 62 5.508 -9.234 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 62 4.899 -7.236 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.172 -5.492 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.261 -6.871 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.792 -6.683 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.976 -5.837 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.507 -7.043 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.470 -7.466 -0.227 1.00 0.00 H new ATOM 893 N GLU A 63 2.390 -10.019 -1.077 1.00 0.00 N ATOM 894 CA GLU A 63 1.394 -10.761 -0.313 1.00 0.00 C ATOM 895 C GLU A 63 2.002 -12.022 0.294 1.00 0.00 C ATOM 896 O GLU A 63 1.487 -12.564 1.271 1.00 0.00 O ATOM 897 CB GLU A 63 0.208 -11.132 -1.205 1.00 0.00 C ATOM 898 CG GLU A 63 0.364 -12.475 -1.899 1.00 0.00 C ATOM 899 CD GLU A 63 -0.541 -12.617 -3.107 1.00 0.00 C ATOM 900 OE1 GLU A 63 -0.189 -12.081 -4.178 1.00 0.00 O ATOM 901 OE2 GLU A 63 -1.601 -13.264 -2.980 1.00 0.00 O ATOM 0 H GLU A 63 2.125 -9.829 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 63 1.044 -10.121 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.699 -11.148 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.075 -10.356 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.401 -12.600 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.145 -13.273 -1.190 1.00 0.00 H new ATOM 908 N ALA A 64 3.102 -12.484 -0.293 1.00 0.00 N ATOM 909 CA ALA A 64 3.781 -13.679 0.190 1.00 0.00 C ATOM 910 C ALA A 64 4.745 -13.343 1.323 1.00 0.00 C ATOM 911 O ALA A 64 5.147 -14.219 2.089 1.00 0.00 O ATOM 912 CB ALA A 64 4.522 -14.362 -0.951 1.00 0.00 C ATOM 0 H ALA A 64 3.541 -12.048 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 64 3.027 -14.363 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.025 -15.253 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.812 -14.646 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.260 -13.677 -1.367 1.00 0.00 H new ATOM 918 N LEU A 65 5.112 -12.071 1.423 1.00 0.00 N ATOM 919 CA LEU A 65 6.030 -11.619 2.463 1.00 0.00 C ATOM 920 C LEU A 65 5.281 -11.321 3.758 1.00 0.00 C ATOM 921 O LEU A 65 4.059 -11.454 3.825 1.00 0.00 O ATOM 922 CB LEU A 65 6.784 -10.371 1.998 1.00 0.00 C ATOM 923 CG LEU A 65 8.041 -10.619 1.164 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.436 -9.360 0.407 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.184 -11.091 2.050 1.00 0.00 C ATOM 0 H LEU A 65 4.788 -11.334 0.797 1.00 0.00 H new ATOM 0 HA LEU A 65 6.746 -12.419 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.101 -9.754 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.064 -9.791 2.878 1.00 0.00 H new ATOM 0 HG LEU A 65 7.823 -11.402 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.333 -9.555 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.624 -9.065 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.635 -8.556 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.071 -11.263 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.401 -10.330 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.900 -12.019 2.546 1.00 0.00 H new ATOM 937 N ASP A 66 6.022 -10.916 4.783 1.00 0.00 N ATOM 938 CA ASP A 66 5.428 -10.596 6.076 1.00 0.00 C ATOM 939 C ASP A 66 5.445 -9.091 6.325 1.00 0.00 C ATOM 940 O ASP A 66 5.840 -8.313 5.456 1.00 0.00 O ATOM 941 CB ASP A 66 6.176 -11.320 7.198 1.00 0.00 C ATOM 942 CG ASP A 66 6.628 -12.708 6.790 1.00 0.00 C ATOM 943 OD1 ASP A 66 5.825 -13.436 6.170 1.00 0.00 O ATOM 944 OD2 ASP A 66 7.785 -13.067 7.091 1.00 0.00 O ATOM 0 H ASP A 66 7.035 -10.801 4.744 1.00 0.00 H new ATOM 0 HA ASP A 66 4.391 -10.932 6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.044 -10.730 7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.530 -11.394 8.073 1.00 0.00 H new ATOM 949 N HIS A 67 5.015 -8.688 7.516 1.00 0.00 N ATOM 950 CA HIS A 67 4.980 -7.276 7.879 1.00 0.00 C ATOM 951 C HIS A 67 6.257 -6.569 7.433 1.00 0.00 C ATOM 952 O HIS A 67 6.216 -5.653 6.612 1.00 0.00 O ATOM 953 CB HIS A 67 4.798 -7.120 9.389 1.00 0.00 C ATOM 954 CG HIS A 67 4.711 -5.694 9.838 1.00 0.00 C ATOM 955 ND1 HIS A 67 5.632 -4.702 9.818 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 3.571 -5.145 10.386 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 5.037 -3.584 10.349 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 3.794 -3.878 10.683 1.00 0.00 N flip ATOM 0 H HIS A 67 4.686 -9.319 8.246 1.00 0.00 H new ATOM 0 HA HIS A 67 4.133 -6.816 7.369 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.892 -7.644 9.693 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.632 -7.603 9.899 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.641 -5.670 10.547 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.509 -2.621 10.473 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.120 -3.235 11.100 1.00 0.00 H new ATOM 967 N ASP A 68 7.388 -7.000 7.981 1.00 0.00 N ATOM 968 CA ASP A 68 8.676 -6.409 7.639 1.00 0.00 C ATOM 969 C ASP A 68 8.911 -6.450 6.133 1.00 0.00 C ATOM 970 O ASP A 68 9.220 -5.432 5.514 1.00 0.00 O ATOM 971 CB ASP A 68 9.806 -7.142 8.364 1.00 0.00 C ATOM 972 CG ASP A 68 9.648 -7.103 9.871 1.00 0.00 C ATOM 973 OD1 ASP A 68 8.662 -7.674 10.381 1.00 0.00 O ATOM 974 OD2 ASP A 68 10.512 -6.500 10.542 1.00 0.00 O ATOM 0 H ASP A 68 7.439 -7.756 8.664 1.00 0.00 H new ATOM 0 HA ASP A 68 8.665 -5.367 7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.834 -8.180 8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.761 -6.693 8.090 1.00 0.00 H new ATOM 979 N GLY A 69 8.762 -7.635 5.548 1.00 0.00 N ATOM 980 CA GLY A 69 8.963 -7.787 4.118 1.00 0.00 C ATOM 981 C GLY A 69 8.238 -6.725 3.315 1.00 0.00 C ATOM 982 O GLY A 69 8.867 -5.898 2.655 1.00 0.00 O ATOM 0 H GLY A 69 8.506 -8.492 6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.029 -7.740 3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.616 -8.773 3.808 1.00 0.00 H new ATOM 986 N VAL A 70 6.910 -6.748 3.369 1.00 0.00 N ATOM 987 CA VAL A 70 6.098 -5.781 2.640 1.00 0.00 C ATOM 988 C VAL A 70 6.492 -4.352 2.999 1.00 0.00 C ATOM 989 O VAL A 70 6.632 -3.497 2.124 1.00 0.00 O ATOM 990 CB VAL A 70 4.598 -5.976 2.929 1.00 0.00 C ATOM 991 CG1 VAL A 70 3.756 -5.211 1.920 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.243 -7.455 2.921 1.00 0.00 C ATOM 0 H VAL A 70 6.374 -7.426 3.910 1.00 0.00 H new ATOM 0 HA VAL A 70 6.281 -5.950 1.579 1.00 0.00 H new ATOM 0 HB VAL A 70 4.382 -5.579 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.699 -5.361 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.992 -4.149 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.972 -5.575 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.179 -7.575 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.474 -7.879 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.821 -7.972 3.687 1.00 0.00 H new ATOM 1002 N VAL A 71 6.670 -4.100 4.292 1.00 0.00 N ATOM 1003 CA VAL A 71 7.050 -2.775 4.767 1.00 0.00 C ATOM 1004 C VAL A 71 8.462 -2.415 4.320 1.00 0.00 C ATOM 1005 O VAL A 71 8.832 -1.242 4.287 1.00 0.00 O ATOM 1006 CB VAL A 71 6.971 -2.685 6.303 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.355 -1.292 6.777 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.577 -3.057 6.786 1.00 0.00 C ATOM 0 H VAL A 71 6.557 -4.796 5.029 1.00 0.00 H new ATOM 0 HA VAL A 71 6.343 -2.068 4.332 1.00 0.00 H new ATOM 0 HB VAL A 71 7.680 -3.395 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.293 -1.248 7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.374 -1.069 6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.673 -0.560 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.538 -2.988 7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.847 -2.373 6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.345 -4.077 6.478 1.00 0.00 H new ATOM 1018 N GLU A 72 9.247 -3.432 3.978 1.00 0.00 N ATOM 1019 CA GLU A 72 10.619 -3.221 3.533 1.00 0.00 C ATOM 1020 C GLU A 72 10.653 -2.704 2.098 1.00 0.00 C ATOM 1021 O GLU A 72 11.383 -1.765 1.783 1.00 0.00 O ATOM 1022 CB GLU A 72 11.418 -4.523 3.637 1.00 0.00 C ATOM 1023 CG GLU A 72 12.923 -4.317 3.608 1.00 0.00 C ATOM 1024 CD GLU A 72 13.689 -5.559 4.021 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.778 -6.501 3.206 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.201 -5.587 5.160 1.00 0.00 O ATOM 0 H GLU A 72 8.956 -4.409 4.001 1.00 0.00 H new ATOM 0 HA GLU A 72 11.073 -2.471 4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.147 -5.033 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.134 -5.181 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.227 -4.025 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.186 -3.494 4.273 1.00 0.00 H new ATOM 1033 N MET A 73 9.858 -3.325 1.233 1.00 0.00 N ATOM 1034 CA MET A 73 9.796 -2.927 -0.169 1.00 0.00 C ATOM 1035 C MET A 73 9.528 -1.431 -0.298 1.00 0.00 C ATOM 1036 O MET A 73 10.244 -0.722 -1.006 1.00 0.00 O ATOM 1037 CB MET A 73 8.707 -3.717 -0.898 1.00 0.00 C ATOM 1038 CG MET A 73 8.945 -5.218 -0.902 1.00 0.00 C ATOM 1039 SD MET A 73 10.173 -5.723 -2.122 1.00 0.00 S ATOM 1040 CE MET A 73 9.139 -5.960 -3.565 1.00 0.00 C ATOM 0 H MET A 73 9.248 -4.105 1.478 1.00 0.00 H new ATOM 0 HA MET A 73 10.761 -3.146 -0.626 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.745 -3.511 -0.429 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.642 -3.365 -1.928 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.272 -5.533 0.089 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.005 -5.731 -1.105 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.718 -6.442 -4.353 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.288 -6.589 -3.304 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.780 -4.993 -3.918 1.00 0.00 H new ATOM 1050 N ILE A 74 8.493 -0.958 0.388 1.00 0.00 N ATOM 1051 CA ILE A 74 8.133 0.454 0.350 1.00 0.00 C ATOM 1052 C ILE A 74 9.339 1.337 0.647 1.00 0.00 C ATOM 1053 O ILE A 74 9.507 2.398 0.046 1.00 0.00 O ATOM 1054 CB ILE A 74 7.014 0.776 1.358 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.725 0.048 0.972 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.780 2.278 1.427 1.00 0.00 C ATOM 1057 CD1 ILE A 74 4.851 -0.302 2.157 1.00 0.00 C ATOM 0 H ILE A 74 7.889 -1.532 0.977 1.00 0.00 H new ATOM 0 HA ILE A 74 7.774 0.661 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 74 7.323 0.430 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.156 0.673 0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.980 -0.866 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.986 2.490 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.697 2.775 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.489 2.646 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.955 -0.816 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.402 -0.953 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.566 0.610 2.681 1.00 0.00 H new ATOM 1069 N ARG A 75 10.178 0.892 1.577 1.00 0.00 N ATOM 1070 CA ARG A 75 11.370 1.642 1.954 1.00 0.00 C ATOM 1071 C ARG A 75 12.395 1.636 0.824 1.00 0.00 C ATOM 1072 O ARG A 75 13.153 2.591 0.653 1.00 0.00 O ATOM 1073 CB ARG A 75 11.989 1.053 3.222 1.00 0.00 C ATOM 1074 CG ARG A 75 11.179 1.326 4.479 1.00 0.00 C ATOM 1075 CD ARG A 75 11.562 0.378 5.605 1.00 0.00 C ATOM 1076 NE ARG A 75 10.987 0.787 6.884 1.00 0.00 N ATOM 1077 CZ ARG A 75 11.537 1.697 7.679 1.00 0.00 C ATOM 1078 NH1 ARG A 75 12.670 2.291 7.329 1.00 0.00 N ATOM 1079 NH2 ARG A 75 10.954 2.016 8.828 1.00 0.00 N ATOM 0 H ARG A 75 10.054 0.015 2.083 1.00 0.00 H new ATOM 0 HA ARG A 75 11.074 2.673 2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 75 12.097 -0.024 3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.991 1.461 3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.338 2.356 4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.117 1.221 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.224 -0.629 5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.648 0.338 5.692 1.00 0.00 H new ATOM 0 HE ARG A 75 10.115 0.350 7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.121 2.049 6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.090 2.990 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.082 1.562 9.101 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.378 2.715 9.438 1.00 0.00 H new ATOM 1093 N LYS A 76 12.414 0.553 0.054 1.00 0.00 N ATOM 1094 CA LYS A 76 13.345 0.421 -1.060 1.00 0.00 C ATOM 1095 C LYS A 76 13.026 1.431 -2.158 1.00 0.00 C ATOM 1096 O LYS A 76 13.925 1.951 -2.817 1.00 0.00 O ATOM 1097 CB LYS A 76 13.295 -0.999 -1.628 1.00 0.00 C ATOM 1098 CG LYS A 76 13.478 -2.081 -0.578 1.00 0.00 C ATOM 1099 CD LYS A 76 14.943 -2.442 -0.399 1.00 0.00 C ATOM 1100 CE LYS A 76 15.632 -1.508 0.584 1.00 0.00 C ATOM 1101 NZ LYS A 76 16.953 -2.038 1.021 1.00 0.00 N ATOM 0 H LYS A 76 11.794 -0.247 0.182 1.00 0.00 H new ATOM 0 HA LYS A 76 14.350 0.621 -0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.338 -1.148 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.071 -1.105 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.068 -1.740 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.916 -2.969 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.025 -3.469 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.450 -2.396 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.768 -0.530 0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.993 -1.362 1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.390 -1.372 1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.821 -2.959 1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.572 -2.153 0.193 1.00 0.00 H new ATOM 1115 N GLY A 77 11.738 1.704 -2.349 1.00 0.00 N ATOM 1116 CA GLY A 77 11.324 2.651 -3.367 1.00 0.00 C ATOM 1117 C GLY A 77 12.034 3.985 -3.242 1.00 0.00 C ATOM 1118 O GLY A 77 12.068 4.769 -4.189 1.00 0.00 O ATOM 0 H GLY A 77 10.975 1.286 -1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.521 2.229 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.248 2.808 -3.297 1.00 0.00 H new ATOM 1122 N GLY A 78 12.602 4.243 -2.067 1.00 0.00 N ATOM 1123 CA GLY A 78 13.305 5.493 -1.843 1.00 0.00 C ATOM 1124 C GLY A 78 12.373 6.617 -1.437 1.00 0.00 C ATOM 1125 O GLY A 78 12.048 6.769 -0.259 1.00 0.00 O ATOM 0 H GLY A 78 12.588 3.610 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.056 5.350 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.836 5.776 -2.752 1.00 0.00 H new ATOM 1129 N ASP A 79 11.944 7.409 -2.413 1.00 0.00 N ATOM 1130 CA ASP A 79 11.045 8.527 -2.151 1.00 0.00 C ATOM 1131 C ASP A 79 9.605 8.159 -2.496 1.00 0.00 C ATOM 1132 O ASP A 79 8.693 8.370 -1.698 1.00 0.00 O ATOM 1133 CB ASP A 79 11.476 9.755 -2.954 1.00 0.00 C ATOM 1134 CG ASP A 79 12.748 10.382 -2.416 1.00 0.00 C ATOM 1135 OD1 ASP A 79 12.710 10.930 -1.294 1.00 0.00 O ATOM 1136 OD2 ASP A 79 13.780 10.323 -3.115 1.00 0.00 O ATOM 0 H ASP A 79 12.204 7.298 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 79 11.097 8.761 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.627 9.470 -3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.675 10.495 -2.939 1.00 0.00 H new ATOM 1141 N GLN A 80 9.411 7.608 -3.690 1.00 0.00 N ATOM 1142 CA GLN A 80 8.082 7.212 -4.141 1.00 0.00 C ATOM 1143 C GLN A 80 7.954 5.693 -4.190 1.00 0.00 C ATOM 1144 O GLN A 80 8.952 4.977 -4.275 1.00 0.00 O ATOM 1145 CB GLN A 80 7.790 7.805 -5.520 1.00 0.00 C ATOM 1146 CG GLN A 80 8.567 7.140 -6.645 1.00 0.00 C ATOM 1147 CD GLN A 80 8.307 7.783 -7.993 1.00 0.00 C ATOM 1148 OE1 GLN A 80 8.162 9.002 -8.095 1.00 0.00 O ATOM 1149 NE2 GLN A 80 8.246 6.965 -9.038 1.00 0.00 N ATOM 0 H GLN A 80 10.157 7.426 -4.362 1.00 0.00 H new ATOM 0 HA GLN A 80 7.354 7.597 -3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.723 7.718 -5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.026 8.869 -5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.633 7.188 -6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.299 6.085 -6.692 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.372 5.961 -8.908 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.073 7.341 -9.970 1.00 0.00 H new ATOM 1158 N THR A 81 6.718 5.206 -4.137 1.00 0.00 N ATOM 1159 CA THR A 81 6.459 3.772 -4.174 1.00 0.00 C ATOM 1160 C THR A 81 5.048 3.481 -4.671 1.00 0.00 C ATOM 1161 O THR A 81 4.127 4.269 -4.455 1.00 0.00 O ATOM 1162 CB THR A 81 6.644 3.132 -2.785 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.163 1.783 -2.799 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.906 3.928 -1.719 1.00 0.00 C ATOM 0 H THR A 81 5.880 5.784 -4.068 1.00 0.00 H new ATOM 0 HA THR A 81 7.181 3.338 -4.865 1.00 0.00 H new ATOM 0 HB THR A 81 7.708 3.136 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.137 1.436 -1.883 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.051 3.457 -0.747 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.295 4.946 -1.691 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.842 3.953 -1.955 1.00 0.00 H new ATOM 1172 N THR A 82 4.884 2.343 -5.338 1.00 0.00 N ATOM 1173 CA THR A 82 3.585 1.947 -5.867 1.00 0.00 C ATOM 1174 C THR A 82 2.933 0.887 -4.988 1.00 0.00 C ATOM 1175 O THR A 82 3.588 -0.061 -4.551 1.00 0.00 O ATOM 1176 CB THR A 82 3.704 1.404 -7.304 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.371 2.360 -8.135 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.332 1.093 -7.881 1.00 0.00 C ATOM 0 H THR A 82 5.635 1.679 -5.525 1.00 0.00 H new ATOM 0 HA THR A 82 2.962 2.842 -5.875 1.00 0.00 H new ATOM 0 HB THR A 82 4.285 0.482 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.341 2.254 -8.042 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.442 0.711 -8.896 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.839 0.343 -7.263 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.730 2.002 -7.898 1.00 0.00 H new ATOM 1186 N LEU A 83 1.640 1.051 -4.732 1.00 0.00 N ATOM 1187 CA LEU A 83 0.898 0.106 -3.904 1.00 0.00 C ATOM 1188 C LEU A 83 -0.292 -0.469 -4.666 1.00 0.00 C ATOM 1189 O LEU A 83 -1.132 0.272 -5.177 1.00 0.00 O ATOM 1190 CB LEU A 83 0.416 0.789 -2.623 1.00 0.00 C ATOM 1191 CG LEU A 83 1.321 1.888 -2.066 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.863 2.304 -0.677 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.769 1.421 -2.035 1.00 0.00 C ATOM 0 H LEU A 83 1.083 1.829 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 83 1.568 -0.713 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.568 1.218 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.289 0.027 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 83 1.254 2.755 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.519 3.087 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.159 2.680 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.900 1.444 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.399 2.216 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.853 0.538 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.093 1.174 -3.046 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.358 -1.794 -4.737 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.446 -2.469 -5.435 1.00 0.00 C ATOM 1207 C LEU A 84 -2.425 -3.093 -4.445 1.00 0.00 C ATOM 1208 O LEU A 84 -2.124 -4.107 -3.814 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.890 -3.547 -6.367 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.906 -4.237 -7.278 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -1.243 -4.696 -8.567 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -2.553 -5.413 -6.561 1.00 0.00 C ATOM 0 H LEU A 84 0.329 -2.422 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.980 -1.726 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.119 -3.096 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.402 -4.308 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.685 -3.518 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.982 -5.185 -9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.828 -3.834 -9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.443 -5.399 -8.334 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.273 -5.892 -7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.786 -6.133 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.064 -5.057 -5.667 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.597 -2.481 -4.314 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.622 -2.978 -3.403 1.00 0.00 C ATOM 1226 C VAL A 85 -5.793 -3.581 -4.170 1.00 0.00 C ATOM 1227 O VAL A 85 -6.049 -3.221 -5.320 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.146 -1.859 -2.484 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.989 -1.079 -1.879 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -6.080 -0.934 -3.250 1.00 0.00 C ATOM 0 H VAL A 85 -3.861 -1.640 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.155 -3.751 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.710 -2.315 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.379 -0.293 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.363 -1.752 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.395 -0.632 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.441 -0.149 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.542 -0.484 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.927 -1.505 -3.630 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.503 -4.501 -3.526 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.650 -5.155 -4.147 1.00 0.00 C ATOM 1242 C LEU A 86 -8.942 -4.412 -3.823 1.00 0.00 C ATOM 1243 O LEU A 86 -9.182 -4.035 -2.676 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.751 -6.607 -3.675 1.00 0.00 C ATOM 1245 CG LEU A 86 -8.356 -7.596 -4.671 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -9.606 -7.012 -5.311 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -7.336 -7.973 -5.736 1.00 0.00 C ATOM 0 H LEU A 86 -6.305 -4.811 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.505 -5.140 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.751 -6.953 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.347 -6.631 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.638 -8.500 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.023 -7.730 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.343 -6.794 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.350 -6.093 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.785 -8.678 -6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.023 -7.078 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.469 -8.434 -5.263 1.00 0.00 H new