USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 743 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 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-0.18) USER MOD Single : A 35 TYR OH : rot 180:sc=-0.00326 USER MOD Single : A 37 GLN : amide:sc= -0.995 K(o=-1,f=-2.7) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 34:sc= 0.573 USER MOD Single : A 51 SER OG : rot -159:sc= 0.929 USER MOD Single : A 52 SER OG : rot 168:sc= -5.51! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.09 K(o=-1.1,f=-3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 75 LYS NZ :NH3+ -133:sc= -0.602 (180deg=-4!) USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00772) USER MOD Single : A 83 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.19) USER MOD Single : A 91 TYR OH : rot 31:sc= 1.54 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -8.6! C(o=-8.6!,f=-12!) USER MOD Single : A 98 LYS NZ :NH3+ 155:sc= -2.07 (180deg=-3.81!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 22 -8.545 13.041 -7.538 1.00 0.00 N ATOM 2 CA ARG A 22 -7.245 12.335 -7.393 1.00 0.00 C ATOM 3 C ARG A 22 -7.450 10.871 -7.019 1.00 0.00 C ATOM 4 O ARG A 22 -8.578 10.380 -6.989 1.00 0.00 O ATOM 5 CB ARG A 22 -6.421 13.046 -6.315 1.00 0.00 C ATOM 6 CG ARG A 22 -6.939 12.821 -4.902 1.00 0.00 C ATOM 7 CD ARG A 22 -6.061 13.512 -3.871 1.00 0.00 C ATOM 8 NE ARG A 22 -6.262 14.959 -3.863 1.00 0.00 N ATOM 9 CZ ARG A 22 -7.288 15.562 -3.267 1.00 0.00 C ATOM 10 NH1 ARG A 22 -8.208 14.848 -2.631 1.00 0.00 N ATOM 11 NH2 ARG A 22 -7.395 16.883 -3.308 1.00 0.00 N ATOM 0 HA ARG A 22 -6.717 12.358 -8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.388 12.702 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.412 14.116 -6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.959 13.196 -4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.976 11.752 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.279 13.110 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.014 13.292 -4.081 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.576 15.542 -4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.131 13.831 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.992 15.316 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.691 17.437 -3.796 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.181 17.345 -2.851 1.00 0.00 H new ATOM 27 N LEU A 23 -6.352 10.182 -6.730 1.00 0.00 N ATOM 28 CA LEU A 23 -6.409 8.776 -6.353 1.00 0.00 C ATOM 29 C LEU A 23 -6.250 8.623 -4.843 1.00 0.00 C ATOM 30 O LEU A 23 -5.363 9.222 -4.240 1.00 0.00 O ATOM 31 CB LEU A 23 -5.331 7.980 -7.095 1.00 0.00 C ATOM 32 CG LEU A 23 -5.440 7.957 -8.634 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.580 6.529 -9.143 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.604 8.807 -9.135 1.00 0.00 C ATOM 0 H LEU A 23 -5.411 10.575 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.384 8.379 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.357 8.389 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.355 6.952 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.519 8.387 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.655 6.536 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.707 5.949 -8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.478 6.078 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.645 8.763 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.538 8.426 -8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.462 9.840 -8.819 1.00 0.00 H new ATOM 46 N ARG A 24 -7.126 7.828 -4.237 1.00 0.00 N ATOM 47 CA ARG A 24 -7.095 7.605 -2.798 1.00 0.00 C ATOM 48 C ARG A 24 -6.451 6.260 -2.465 1.00 0.00 C ATOM 49 O ARG A 24 -6.878 5.215 -2.955 1.00 0.00 O ATOM 50 CB ARG A 24 -8.520 7.681 -2.230 1.00 0.00 C ATOM 51 CG ARG A 24 -8.689 7.045 -0.855 1.00 0.00 C ATOM 52 CD ARG A 24 -9.262 8.030 0.150 1.00 0.00 C ATOM 53 NE ARG A 24 -10.707 8.186 0.006 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.394 9.217 0.496 1.00 0.00 C ATOM 55 NH1 ARG A 24 -10.769 10.186 1.155 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.707 9.280 0.327 1.00 0.00 N ATOM 0 H ARG A 24 -7.869 7.326 -4.724 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.488 8.385 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.818 8.728 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.202 7.194 -2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.347 6.179 -0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.724 6.682 -0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.034 7.690 1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.779 8.999 0.023 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.220 7.464 -0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.759 10.143 1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.299 10.973 1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.192 8.539 -0.179 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.232 10.070 0.702 1.00 0.00 H new ATOM 70 N LEU A 25 -5.426 6.301 -1.619 1.00 0.00 N ATOM 71 CA LEU A 25 -4.723 5.100 -1.203 1.00 0.00 C ATOM 72 C LEU A 25 -5.380 4.515 0.041 1.00 0.00 C ATOM 73 O LEU A 25 -5.846 5.253 0.910 1.00 0.00 O ATOM 74 CB LEU A 25 -3.259 5.425 -0.917 1.00 0.00 C ATOM 75 CG LEU A 25 -2.288 4.264 -1.093 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.851 4.731 -0.935 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.594 3.154 -0.107 1.00 0.00 C ATOM 0 H LEU A 25 -5.065 7.162 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.772 4.365 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.950 6.239 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.179 5.792 0.106 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.412 3.873 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.177 3.884 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.630 5.489 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.713 5.155 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.889 2.335 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.505 3.536 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.609 2.791 -0.271 1.00 0.00 H new ATOM 89 N SER A 26 -5.421 3.192 0.125 1.00 0.00 N ATOM 90 CA SER A 26 -6.034 2.527 1.273 1.00 0.00 C ATOM 91 C SER A 26 -5.321 1.220 1.590 1.00 0.00 C ATOM 92 O SER A 26 -5.435 0.248 0.847 1.00 0.00 O ATOM 93 CB SER A 26 -7.515 2.257 0.998 1.00 0.00 C ATOM 94 OG SER A 26 -8.245 3.467 0.902 1.00 0.00 O ATOM 0 H SER A 26 -5.041 2.560 -0.580 1.00 0.00 H new ATOM 0 HA SER A 26 -5.943 3.188 2.135 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.619 1.692 0.072 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.930 1.641 1.796 1.00 0.00 H new ATOM 0 HG SER A 26 -9.188 3.267 0.724 1.00 0.00 H new ATOM 100 N VAL A 27 -4.584 1.198 2.696 1.00 0.00 N ATOM 101 CA VAL A 27 -3.857 0.000 3.089 1.00 0.00 C ATOM 102 C VAL A 27 -4.665 -0.864 4.047 1.00 0.00 C ATOM 103 O VAL A 27 -5.037 -0.430 5.136 1.00 0.00 O ATOM 104 CB VAL A 27 -2.500 0.335 3.732 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.675 0.990 5.089 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.655 -0.918 3.845 1.00 0.00 C ATOM 0 H VAL A 27 -4.476 1.990 3.330 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.682 -0.560 2.170 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.987 1.050 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.696 1.213 5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.241 1.915 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.214 0.314 5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.697 -0.671 4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.173 -1.651 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.487 -1.335 2.852 1.00 0.00 H new ATOM 116 N PHE A 28 -4.930 -2.092 3.623 1.00 0.00 N ATOM 117 CA PHE A 28 -5.689 -3.030 4.421 1.00 0.00 C ATOM 118 C PHE A 28 -4.790 -4.068 5.081 1.00 0.00 C ATOM 119 O PHE A 28 -3.841 -4.567 4.477 1.00 0.00 O ATOM 120 CB PHE A 28 -6.732 -3.730 3.557 1.00 0.00 C ATOM 121 CG PHE A 28 -8.024 -3.912 4.280 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.663 -2.820 4.834 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.586 -5.167 4.430 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.842 -2.971 5.526 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.770 -5.327 5.119 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.400 -4.228 5.670 1.00 0.00 C ATOM 0 H PHE A 28 -4.625 -2.459 2.722 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.185 -2.464 5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.902 -3.148 2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.351 -4.702 3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.232 -1.836 4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.094 -6.029 4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.331 -2.109 5.956 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.204 -6.310 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.326 -4.350 6.212 1.00 0.00 H new ATOM 136 N ARG A 29 -5.114 -4.391 6.326 1.00 0.00 N ATOM 137 CA ARG A 29 -4.369 -5.373 7.093 1.00 0.00 C ATOM 138 C ARG A 29 -5.293 -6.067 8.086 1.00 0.00 C ATOM 139 O ARG A 29 -5.872 -5.423 8.961 1.00 0.00 O ATOM 140 CB ARG A 29 -3.207 -4.702 7.826 1.00 0.00 C ATOM 141 CG ARG A 29 -1.881 -4.867 7.116 1.00 0.00 C ATOM 142 CD ARG A 29 -1.243 -6.203 7.452 1.00 0.00 C ATOM 143 NE ARG A 29 -1.030 -6.362 8.889 1.00 0.00 N ATOM 144 CZ ARG A 29 -0.467 -7.433 9.442 1.00 0.00 C ATOM 145 NH1 ARG A 29 -0.053 -8.441 8.683 1.00 0.00 N ATOM 146 NH2 ARG A 29 -0.316 -7.497 10.758 1.00 0.00 N ATOM 0 H ARG A 29 -5.900 -3.979 6.829 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.962 -6.120 6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.422 -3.639 7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.129 -5.120 8.830 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.030 -4.793 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.209 -4.058 7.401 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.879 -7.010 7.088 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.289 -6.290 6.932 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.331 -5.607 9.505 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.166 -8.397 7.670 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.378 -9.260 9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.631 -6.725 11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.116 -8.318 11.182 1.00 0.00 H new ATOM 160 N SER A 30 -5.433 -7.380 7.946 1.00 0.00 N ATOM 161 CA SER A 30 -6.299 -8.145 8.838 1.00 0.00 C ATOM 162 C SER A 30 -5.514 -8.628 10.050 1.00 0.00 C ATOM 163 O SER A 30 -5.781 -8.229 11.183 1.00 0.00 O ATOM 164 CB SER A 30 -6.903 -9.339 8.097 1.00 0.00 C ATOM 165 OG SER A 30 -6.987 -9.087 6.704 1.00 0.00 O ATOM 0 H SER A 30 -4.963 -7.934 7.230 1.00 0.00 H new ATOM 0 HA SER A 30 -7.107 -7.496 9.177 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.294 -10.226 8.273 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.897 -9.551 8.492 1.00 0.00 H new ATOM 0 HG SER A 30 -7.375 -9.866 6.253 1.00 0.00 H new ATOM 171 N LEU A 31 -4.534 -9.481 9.791 1.00 0.00 N ATOM 172 CA LEU A 31 -3.680 -10.025 10.837 1.00 0.00 C ATOM 173 C LEU A 31 -2.320 -10.367 10.250 1.00 0.00 C ATOM 174 O LEU A 31 -1.291 -9.847 10.680 1.00 0.00 O ATOM 175 CB LEU A 31 -4.318 -11.270 11.459 1.00 0.00 C ATOM 176 CG LEU A 31 -4.144 -11.398 12.974 1.00 0.00 C ATOM 177 CD1 LEU A 31 -5.414 -11.937 13.615 1.00 0.00 C ATOM 178 CD2 LEU A 31 -2.960 -12.296 13.299 1.00 0.00 C ATOM 0 H LEU A 31 -4.309 -9.815 8.854 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.558 -9.278 11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.384 -11.267 11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.893 -12.154 10.984 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.948 -10.407 13.383 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.271 -12.021 14.692 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.241 -11.257 13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.641 -12.920 13.202 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.850 -12.376 14.380 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.128 -13.287 12.877 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.052 -11.869 12.873 1.00 0.00 H new ATOM 190 N LYS A 32 -2.333 -11.232 9.245 1.00 0.00 N ATOM 191 CA LYS A 32 -1.116 -11.639 8.560 1.00 0.00 C ATOM 192 C LYS A 32 -1.185 -11.274 7.075 1.00 0.00 C ATOM 193 O LYS A 32 -0.274 -11.588 6.309 1.00 0.00 O ATOM 194 CB LYS A 32 -0.895 -13.144 8.720 1.00 0.00 C ATOM 195 CG LYS A 32 0.552 -13.522 8.986 1.00 0.00 C ATOM 196 CD LYS A 32 0.746 -15.030 8.968 1.00 0.00 C ATOM 197 CE LYS A 32 0.191 -15.678 10.227 1.00 0.00 C ATOM 198 NZ LYS A 32 0.233 -17.165 10.155 1.00 0.00 N ATOM 0 H LYS A 32 -3.182 -11.668 8.884 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.276 -11.109 9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.513 -13.508 9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.234 -13.650 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.193 -13.063 8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.861 -13.126 9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.252 -15.451 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.807 -15.260 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.764 -15.341 11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.838 -15.351 10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.154 -17.566 11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.334 -17.490 9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.217 -17.479 10.036 1.00 0.00 H new ATOM 212 N HIS A 33 -2.280 -10.625 6.669 1.00 0.00 N ATOM 213 CA HIS A 33 -2.470 -10.242 5.273 1.00 0.00 C ATOM 214 C HIS A 33 -2.379 -8.733 5.075 1.00 0.00 C ATOM 215 O HIS A 33 -3.192 -7.976 5.601 1.00 0.00 O ATOM 216 CB HIS A 33 -3.828 -10.736 4.769 1.00 0.00 C ATOM 217 CG HIS A 33 -3.976 -12.223 4.808 1.00 0.00 C ATOM 218 ND1 HIS A 33 -5.086 -12.885 4.327 1.00 0.00 N ATOM 219 CD2 HIS A 33 -3.143 -13.178 5.275 1.00 0.00 C ATOM 220 CE1 HIS A 33 -4.929 -14.185 4.500 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.757 -14.390 5.073 1.00 0.00 N ATOM 0 H HIS A 33 -3.045 -10.356 7.288 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.667 -10.708 4.701 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.616 -10.285 5.372 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.973 -10.391 3.745 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.174 -13.018 5.724 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.638 -14.950 4.220 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.371 -15.300 5.325 1.00 0.00 H new ATOM 230 N ILE A 34 -1.394 -8.312 4.292 1.00 0.00 N ATOM 231 CA ILE A 34 -1.190 -6.907 3.987 1.00 0.00 C ATOM 232 C ILE A 34 -1.619 -6.623 2.549 1.00 0.00 C ATOM 233 O ILE A 34 -1.237 -7.349 1.632 1.00 0.00 O ATOM 234 CB ILE A 34 0.292 -6.521 4.160 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.508 -5.049 3.815 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.173 -7.407 3.292 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.115 -4.115 4.931 1.00 0.00 C ATOM 0 H ILE A 34 -0.717 -8.936 3.853 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.792 -6.315 4.677 1.00 0.00 H new ATOM 0 HB ILE A 34 0.569 -6.671 5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.558 -4.890 3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.069 -4.803 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.217 -7.123 3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.041 -8.449 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.893 -7.285 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.293 -3.085 4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.942 -4.248 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.710 -4.336 5.817 1.00 0.00 H new ATOM 249 N TYR A 35 -2.423 -5.582 2.350 1.00 0.00 N ATOM 250 CA TYR A 35 -2.898 -5.253 1.009 1.00 0.00 C ATOM 251 C TYR A 35 -3.125 -3.754 0.822 1.00 0.00 C ATOM 252 O TYR A 35 -4.060 -3.195 1.386 1.00 0.00 O ATOM 253 CB TYR A 35 -4.212 -5.989 0.730 1.00 0.00 C ATOM 254 CG TYR A 35 -4.039 -7.456 0.401 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.734 -8.381 1.392 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.184 -7.915 -0.902 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.576 -9.721 1.092 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.030 -9.254 -1.209 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.725 -10.152 -0.209 1.00 0.00 C ATOM 260 OH TYR A 35 -3.569 -11.486 -0.510 1.00 0.00 O ATOM 0 H TYR A 35 -2.755 -4.960 3.087 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.123 -5.567 0.310 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.860 -5.897 1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.722 -5.499 -0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.619 -8.048 2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.421 -7.214 -1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.337 -10.427 1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.148 -9.595 -2.227 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.708 -11.623 -1.470 1.00 0.00 H new ATOM 270 N ALA A 36 -2.306 -3.113 -0.010 1.00 0.00 N ATOM 271 CA ALA A 36 -2.482 -1.694 -0.285 1.00 0.00 C ATOM 272 C ALA A 36 -3.330 -1.524 -1.529 1.00 0.00 C ATOM 273 O ALA A 36 -3.009 -2.050 -2.595 1.00 0.00 O ATOM 274 CB ALA A 36 -1.156 -0.965 -0.451 1.00 0.00 C ATOM 0 H ALA A 36 -1.524 -3.550 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.983 -1.249 0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.343 0.089 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.572 -1.060 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.602 -1.402 -1.282 1.00 0.00 H new ATOM 280 N GLN A 37 -4.419 -0.800 -1.376 1.00 0.00 N ATOM 281 CA GLN A 37 -5.341 -0.561 -2.474 1.00 0.00 C ATOM 282 C GLN A 37 -5.279 0.885 -2.933 1.00 0.00 C ATOM 283 O GLN A 37 -5.668 1.798 -2.205 1.00 0.00 O ATOM 284 CB GLN A 37 -6.772 -0.907 -2.057 1.00 0.00 C ATOM 285 CG GLN A 37 -7.668 -1.299 -3.222 1.00 0.00 C ATOM 286 CD GLN A 37 -8.040 -2.769 -3.203 1.00 0.00 C ATOM 287 OE1 GLN A 37 -7.946 -3.458 -4.219 1.00 0.00 O ATOM 288 NE2 GLN A 37 -8.465 -3.256 -2.044 1.00 0.00 N ATOM 0 H GLN A 37 -4.691 -0.362 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.044 -1.203 -3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.744 -1.727 -1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.210 -0.050 -1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.577 -0.698 -3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.161 -1.068 -4.159 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.527 -2.648 -1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.730 -4.238 -1.970 1.00 0.00 H new ATOM 297 N ILE A 38 -4.803 1.083 -4.150 1.00 0.00 N ATOM 298 CA ILE A 38 -4.708 2.414 -4.717 1.00 0.00 C ATOM 299 C ILE A 38 -5.897 2.651 -5.635 1.00 0.00 C ATOM 300 O ILE A 38 -5.908 2.221 -6.792 1.00 0.00 O ATOM 301 CB ILE A 38 -3.390 2.632 -5.488 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.267 1.728 -4.928 1.00 0.00 C ATOM 303 CG2 ILE A 38 -3.005 4.103 -5.429 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.354 2.384 -3.912 1.00 0.00 C ATOM 0 H ILE A 38 -4.476 0.337 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.716 3.130 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.534 2.353 -6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.724 0.851 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.660 1.372 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.074 4.257 -5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.794 4.704 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.871 4.403 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.602 1.667 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.861 3.243 -4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.941 2.714 -3.055 1.00 0.00 H new ATOM 316 N ILE A 39 -6.913 3.300 -5.082 1.00 0.00 N ATOM 317 CA ILE A 39 -8.154 3.571 -5.801 1.00 0.00 C ATOM 318 C ILE A 39 -8.195 4.983 -6.372 1.00 0.00 C ATOM 319 O ILE A 39 -7.428 5.852 -5.969 1.00 0.00 O ATOM 320 CB ILE A 39 -9.366 3.400 -4.859 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.223 2.125 -4.028 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.667 3.387 -5.644 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.591 2.363 -2.674 1.00 0.00 C ATOM 0 H ILE A 39 -6.902 3.653 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.198 2.858 -6.624 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.392 4.252 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.207 1.678 -3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.621 1.404 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.505 3.265 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.775 4.327 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.656 2.559 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.519 1.418 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.594 2.782 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.205 3.060 -2.103 1.00 0.00 H new ATOM 335 N ASP A 40 -9.128 5.204 -7.293 1.00 0.00 N ATOM 336 CA ASP A 40 -9.318 6.509 -7.899 1.00 0.00 C ATOM 337 C ASP A 40 -10.424 7.236 -7.148 1.00 0.00 C ATOM 338 O ASP A 40 -11.587 6.805 -7.171 1.00 0.00 O ATOM 339 CB ASP A 40 -9.683 6.383 -9.382 1.00 0.00 C ATOM 340 CG ASP A 40 -8.952 7.389 -10.248 1.00 0.00 C ATOM 341 OD1 ASP A 40 -9.176 8.604 -10.064 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.156 6.963 -11.110 1.00 0.00 O ATOM 0 H ASP A 40 -9.767 4.487 -7.635 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.387 7.072 -7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.450 5.375 -9.726 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.758 6.519 -9.501 1.00 0.00 H new ATOM 347 N ASP A 41 -10.033 8.313 -6.464 1.00 0.00 N ATOM 348 CA ASP A 41 -10.945 9.124 -5.653 1.00 0.00 C ATOM 349 C ASP A 41 -11.613 10.234 -6.464 1.00 0.00 C ATOM 350 O ASP A 41 -12.124 11.204 -5.906 1.00 0.00 O ATOM 351 CB ASP A 41 -10.191 9.735 -4.470 1.00 0.00 C ATOM 352 CG ASP A 41 -11.110 10.083 -3.316 1.00 0.00 C ATOM 353 OD1 ASP A 41 -11.768 9.165 -2.783 1.00 0.00 O ATOM 354 OD2 ASP A 41 -11.173 11.274 -2.946 1.00 0.00 O ATOM 0 H ASP A 41 -9.070 8.649 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.731 8.461 -5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.430 9.034 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.670 10.634 -4.800 1.00 0.00 H new ATOM 359 N GLU A 42 -11.655 10.052 -7.772 1.00 0.00 N ATOM 360 CA GLU A 42 -12.317 10.994 -8.670 1.00 0.00 C ATOM 361 C GLU A 42 -13.549 10.274 -9.157 1.00 0.00 C ATOM 362 O GLU A 42 -14.679 10.753 -9.056 1.00 0.00 O ATOM 363 CB GLU A 42 -11.406 11.377 -9.839 1.00 0.00 C ATOM 364 CG GLU A 42 -12.097 12.216 -10.901 1.00 0.00 C ATOM 365 CD GLU A 42 -11.188 12.541 -12.070 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.956 11.646 -12.909 1.00 0.00 O ATOM 367 OE2 GLU A 42 -10.707 13.691 -12.146 1.00 0.00 O ATOM 0 H GLU A 42 -11.234 9.252 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.565 11.928 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.548 11.928 -9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.020 10.468 -10.301 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.975 11.683 -11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.451 13.144 -10.452 1.00 0.00 H new ATOM 374 N LYS A 43 -13.286 9.056 -9.586 1.00 0.00 N ATOM 375 CA LYS A 43 -14.292 8.121 -9.998 1.00 0.00 C ATOM 376 C LYS A 43 -13.969 6.851 -9.241 1.00 0.00 C ATOM 377 O LYS A 43 -12.880 6.309 -9.404 1.00 0.00 O ATOM 378 CB LYS A 43 -14.220 7.876 -11.504 1.00 0.00 C ATOM 379 CG LYS A 43 -14.599 9.088 -12.336 1.00 0.00 C ATOM 380 CD LYS A 43 -16.070 9.441 -12.178 1.00 0.00 C ATOM 381 CE LYS A 43 -16.792 9.441 -13.517 1.00 0.00 C ATOM 382 NZ LYS A 43 -17.306 8.089 -13.869 1.00 0.00 N ATOM 0 H LYS A 43 -12.338 8.687 -9.656 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.298 8.484 -9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.208 7.568 -11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.881 7.048 -11.761 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.987 9.939 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.383 8.891 -13.386 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.546 8.726 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.161 10.423 -11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -17.621 10.147 -13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.112 9.785 -14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.791 8.131 -14.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.512 7.420 -13.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.974 7.771 -13.138 1.00 0.00 H new ATOM 396 N GLY A 44 -14.876 6.392 -8.392 1.00 0.00 N ATOM 397 CA GLY A 44 -14.597 5.199 -7.613 1.00 0.00 C ATOM 398 C GLY A 44 -14.025 4.092 -8.470 1.00 0.00 C ATOM 399 O GLY A 44 -14.768 3.282 -9.026 1.00 0.00 O ATOM 0 H GLY A 44 -15.789 6.816 -8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.895 5.441 -6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.514 4.853 -7.136 1.00 0.00 H new ATOM 403 N VAL A 45 -12.701 4.084 -8.623 1.00 0.00 N ATOM 404 CA VAL A 45 -12.060 3.087 -9.478 1.00 0.00 C ATOM 405 C VAL A 45 -10.802 2.477 -8.863 1.00 0.00 C ATOM 406 O VAL A 45 -9.780 3.143 -8.743 1.00 0.00 O ATOM 407 CB VAL A 45 -11.675 3.726 -10.827 1.00 0.00 C ATOM 408 CG1 VAL A 45 -11.053 2.695 -11.760 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.886 4.383 -11.477 1.00 0.00 C ATOM 0 H VAL A 45 -12.063 4.742 -8.176 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.789 2.287 -9.607 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.930 4.498 -10.635 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.790 3.171 -12.705 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.155 2.282 -11.300 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.768 1.893 -11.944 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.592 4.828 -12.428 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.658 3.633 -11.650 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.276 5.159 -10.819 1.00 0.00 H new ATOM 419 N THR A 46 -10.861 1.190 -8.528 1.00 0.00 N ATOM 420 CA THR A 46 -9.695 0.503 -7.981 1.00 0.00 C ATOM 421 C THR A 46 -8.714 0.212 -9.111 1.00 0.00 C ATOM 422 O THR A 46 -9.045 -0.497 -10.061 1.00 0.00 O ATOM 423 CB THR A 46 -10.101 -0.798 -7.282 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.267 -0.604 -6.501 1.00 0.00 O ATOM 425 CG2 THR A 46 -9.023 -1.351 -6.370 1.00 0.00 C ATOM 0 H THR A 46 -11.693 0.608 -8.624 1.00 0.00 H new ATOM 0 HA THR A 46 -9.221 1.145 -7.238 1.00 0.00 H new ATOM 0 HB THR A 46 -10.277 -1.514 -8.084 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.512 -1.446 -6.064 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.376 -2.273 -5.907 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.125 -1.558 -6.952 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.792 -0.620 -5.595 1.00 0.00 H new ATOM 433 N LEU A 47 -7.519 0.784 -9.025 1.00 0.00 N ATOM 434 CA LEU A 47 -6.517 0.601 -10.068 1.00 0.00 C ATOM 435 C LEU A 47 -5.461 -0.422 -9.680 1.00 0.00 C ATOM 436 O LEU A 47 -5.275 -1.423 -10.371 1.00 0.00 O ATOM 437 CB LEU A 47 -5.843 1.931 -10.401 1.00 0.00 C ATOM 438 CG LEU A 47 -6.773 3.137 -10.420 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.904 3.749 -9.033 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.277 4.168 -11.418 1.00 0.00 C ATOM 0 H LEU A 47 -7.221 1.375 -8.249 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.040 0.224 -10.947 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.052 2.112 -9.673 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.365 1.845 -11.377 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.762 2.801 -10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.574 4.608 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.309 3.007 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.923 4.071 -8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.951 5.025 -11.421 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.276 4.495 -11.136 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.247 3.726 -12.414 1.00 0.00 H new ATOM 452 N VAL A 48 -4.749 -0.161 -8.589 1.00 0.00 N ATOM 453 CA VAL A 48 -3.697 -1.066 -8.153 1.00 0.00 C ATOM 454 C VAL A 48 -3.965 -1.636 -6.765 1.00 0.00 C ATOM 455 O VAL A 48 -4.480 -0.953 -5.880 1.00 0.00 O ATOM 456 CB VAL A 48 -2.319 -0.361 -8.180 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.417 -0.842 -7.051 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.651 -0.576 -9.528 1.00 0.00 C ATOM 0 H VAL A 48 -4.880 0.660 -7.998 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.686 -1.899 -8.856 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.485 0.706 -8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.460 -0.324 -7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.891 -0.632 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.254 -1.915 -7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.682 -0.077 -9.538 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.511 -1.643 -9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.280 -0.162 -10.316 1.00 0.00 H new ATOM 468 N SER A 49 -3.587 -2.895 -6.593 1.00 0.00 N ATOM 469 CA SER A 49 -3.746 -3.593 -5.327 1.00 0.00 C ATOM 470 C SER A 49 -2.644 -4.632 -5.182 1.00 0.00 C ATOM 471 O SER A 49 -2.568 -5.583 -5.960 1.00 0.00 O ATOM 472 CB SER A 49 -5.122 -4.253 -5.249 1.00 0.00 C ATOM 473 OG SER A 49 -5.297 -5.197 -6.291 1.00 0.00 O ATOM 0 H SER A 49 -3.162 -3.460 -7.328 1.00 0.00 H new ATOM 0 HA SER A 49 -3.671 -2.876 -4.509 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.237 -4.747 -4.284 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.898 -3.490 -5.311 1.00 0.00 H new ATOM 0 HG SER A 49 -4.439 -5.627 -6.491 1.00 0.00 H new ATOM 479 N ALA A 50 -1.775 -4.432 -4.201 1.00 0.00 N ATOM 480 CA ALA A 50 -0.656 -5.344 -3.981 1.00 0.00 C ATOM 481 C ALA A 50 -0.687 -5.964 -2.590 1.00 0.00 C ATOM 482 O ALA A 50 -1.310 -5.434 -1.672 1.00 0.00 O ATOM 483 CB ALA A 50 0.661 -4.614 -4.200 1.00 0.00 C ATOM 0 H ALA A 50 -1.821 -3.651 -3.547 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.748 -6.156 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.490 -5.302 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.702 -4.236 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.735 -3.780 -3.502 1.00 0.00 H new ATOM 489 N SER A 51 0.004 -7.092 -2.449 1.00 0.00 N ATOM 490 CA SER A 51 0.079 -7.801 -1.178 1.00 0.00 C ATOM 491 C SER A 51 1.454 -8.440 -1.003 1.00 0.00 C ATOM 492 O SER A 51 1.924 -9.172 -1.874 1.00 0.00 O ATOM 493 CB SER A 51 -1.010 -8.872 -1.099 1.00 0.00 C ATOM 494 OG SER A 51 -1.565 -9.131 -2.378 1.00 0.00 O ATOM 0 H SER A 51 0.523 -7.536 -3.206 1.00 0.00 H new ATOM 0 HA SER A 51 -0.077 -7.081 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.592 -9.791 -0.688 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.796 -8.547 -0.417 1.00 0.00 H new ATOM 0 HG SER A 51 -2.446 -9.547 -2.274 1.00 0.00 H new ATOM 500 N SER A 52 2.095 -8.151 0.123 1.00 0.00 N ATOM 501 CA SER A 52 3.421 -8.691 0.410 1.00 0.00 C ATOM 502 C SER A 52 3.386 -10.212 0.538 1.00 0.00 C ATOM 503 O SER A 52 4.336 -10.894 0.157 1.00 0.00 O ATOM 504 CB SER A 52 3.985 -8.059 1.681 1.00 0.00 C ATOM 505 OG SER A 52 3.616 -6.695 1.780 1.00 0.00 O ATOM 0 H SER A 52 1.719 -7.546 0.853 1.00 0.00 H new ATOM 0 HA SER A 52 4.074 -8.444 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.620 -8.602 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.072 -8.146 1.683 1.00 0.00 H new ATOM 0 HG SER A 52 3.819 -6.366 2.680 1.00 0.00 H new ATOM 511 N LEU A 53 2.285 -10.739 1.066 1.00 0.00 N ATOM 512 CA LEU A 53 2.133 -12.183 1.232 1.00 0.00 C ATOM 513 C LEU A 53 1.962 -12.886 -0.117 1.00 0.00 C ATOM 514 O LEU A 53 1.969 -14.115 -0.190 1.00 0.00 O ATOM 515 CB LEU A 53 0.930 -12.492 2.131 1.00 0.00 C ATOM 516 CG LEU A 53 -0.439 -12.238 1.494 1.00 0.00 C ATOM 517 CD1 LEU A 53 -0.872 -13.433 0.656 1.00 0.00 C ATOM 518 CD2 LEU A 53 -1.475 -11.933 2.566 1.00 0.00 C ATOM 0 H LEU A 53 1.487 -10.191 1.386 1.00 0.00 H new ATOM 0 HA LEU A 53 3.042 -12.559 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.983 -13.537 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.009 -11.891 3.037 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.357 -11.373 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.847 -13.232 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.142 -13.606 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.937 -14.317 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.443 -11.755 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.553 -12.780 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.173 -11.046 3.122 1.00 0.00 H new ATOM 530 N ALA A 54 1.793 -12.102 -1.179 1.00 0.00 N ATOM 531 CA ALA A 54 1.603 -12.649 -2.518 1.00 0.00 C ATOM 532 C ALA A 54 2.927 -12.937 -3.215 1.00 0.00 C ATOM 533 O ALA A 54 3.154 -14.044 -3.705 1.00 0.00 O ATOM 534 CB ALA A 54 0.795 -11.680 -3.355 1.00 0.00 C ATOM 0 H ALA A 54 1.784 -11.083 -1.137 1.00 0.00 H new ATOM 0 HA ALA A 54 1.070 -13.594 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.655 -12.092 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.177 -11.520 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.325 -10.730 -3.425 1.00 0.00 H new ATOM 540 N LEU A 55 3.789 -11.928 -3.276 1.00 0.00 N ATOM 541 CA LEU A 55 5.079 -12.063 -3.933 1.00 0.00 C ATOM 542 C LEU A 55 5.841 -13.270 -3.408 1.00 0.00 C ATOM 543 O LEU A 55 6.419 -14.036 -4.179 1.00 0.00 O ATOM 544 CB LEU A 55 5.911 -10.798 -3.720 1.00 0.00 C ATOM 545 CG LEU A 55 5.285 -9.508 -4.239 1.00 0.00 C ATOM 546 CD1 LEU A 55 4.448 -8.837 -3.158 1.00 0.00 C ATOM 547 CD2 LEU A 55 6.372 -8.572 -4.729 1.00 0.00 C ATOM 0 H LEU A 55 3.615 -11.006 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 55 4.899 -12.207 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.103 -10.685 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.878 -10.933 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 55 4.624 -9.751 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.012 -7.919 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.651 -9.511 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.081 -8.600 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.920 -7.652 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.049 -8.339 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.929 -9.051 -5.534 1.00 0.00 H new ATOM 559 N LYS A 56 5.839 -13.432 -2.094 1.00 0.00 N ATOM 560 CA LYS A 56 6.536 -14.552 -1.467 1.00 0.00 C ATOM 561 C LYS A 56 6.409 -14.508 0.052 1.00 0.00 C ATOM 562 O LYS A 56 6.394 -15.547 0.712 1.00 0.00 O ATOM 563 CB LYS A 56 8.016 -14.549 -1.865 1.00 0.00 C ATOM 564 CG LYS A 56 8.545 -15.921 -2.251 1.00 0.00 C ATOM 565 CD LYS A 56 9.964 -16.134 -1.748 1.00 0.00 C ATOM 566 CE LYS A 56 10.484 -17.514 -2.117 1.00 0.00 C ATOM 567 NZ LYS A 56 11.768 -17.826 -1.429 1.00 0.00 N ATOM 0 H LYS A 56 5.366 -12.807 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 56 6.069 -15.471 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.157 -13.866 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.606 -14.162 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.893 -16.692 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.522 -16.029 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.619 -15.372 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.990 -16.012 -0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.739 -18.265 -1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.627 -17.572 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.089 -18.775 -1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.486 -17.124 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.626 -17.796 -0.399 1.00 0.00 H new ATOM 581 N LEU A 57 6.335 -13.296 0.600 1.00 0.00 N ATOM 582 CA LEU A 57 6.227 -13.102 2.047 1.00 0.00 C ATOM 583 C LEU A 57 5.296 -14.126 2.692 1.00 0.00 C ATOM 584 O LEU A 57 4.200 -14.386 2.197 1.00 0.00 O ATOM 585 CB LEU A 57 5.732 -11.689 2.353 1.00 0.00 C ATOM 586 CG LEU A 57 6.024 -11.192 3.767 1.00 0.00 C ATOM 587 CD1 LEU A 57 5.712 -9.709 3.879 1.00 0.00 C ATOM 588 CD2 LEU A 57 5.225 -11.987 4.789 1.00 0.00 C ATOM 0 H LEU A 57 6.348 -12.430 0.062 1.00 0.00 H new ATOM 0 HA LEU A 57 7.222 -13.243 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.186 -11.000 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.655 -11.654 2.188 1.00 0.00 H new ATOM 0 HG LEU A 57 7.084 -11.339 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.925 -9.368 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.328 -9.153 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.659 -9.541 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.446 -11.618 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.160 -11.872 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.495 -13.041 4.722 1.00 0.00 H new ATOM 600 N LYS A 58 5.747 -14.704 3.801 1.00 0.00 N ATOM 601 CA LYS A 58 4.964 -15.700 4.522 1.00 0.00 C ATOM 602 C LYS A 58 4.930 -15.387 6.015 1.00 0.00 C ATOM 603 O LYS A 58 3.875 -15.444 6.647 1.00 0.00 O ATOM 604 CB LYS A 58 5.545 -17.097 4.294 1.00 0.00 C ATOM 605 CG LYS A 58 4.670 -18.217 4.834 1.00 0.00 C ATOM 606 CD LYS A 58 5.263 -19.583 4.526 1.00 0.00 C ATOM 607 CE LYS A 58 4.320 -20.704 4.932 1.00 0.00 C ATOM 608 NZ LYS A 58 3.557 -21.237 3.770 1.00 0.00 N ATOM 0 H LYS A 58 6.654 -14.498 4.220 1.00 0.00 H new ATOM 0 HA LYS A 58 3.944 -15.672 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.696 -17.248 3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.526 -17.155 4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.555 -18.103 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.674 -18.145 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.478 -19.655 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.211 -19.696 5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.892 -21.510 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.624 -20.337 5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.926 -21.999 4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.991 -20.474 3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.220 -21.611 3.061 1.00 0.00 H new ATOM 622 N GLY A 59 6.091 -15.058 6.573 1.00 0.00 N ATOM 623 CA GLY A 59 6.173 -14.742 7.987 1.00 0.00 C ATOM 624 C GLY A 59 6.357 -13.258 8.243 1.00 0.00 C ATOM 625 O GLY A 59 5.398 -12.553 8.556 1.00 0.00 O ATOM 0 H GLY A 59 6.977 -15.005 6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.265 -15.083 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.005 -15.289 8.430 1.00 0.00 H new ATOM 629 N ASN A 60 7.592 -12.783 8.111 1.00 0.00 N ATOM 630 CA ASN A 60 7.898 -11.373 8.332 1.00 0.00 C ATOM 631 C ASN A 60 7.061 -10.486 7.414 1.00 0.00 C ATOM 632 O ASN A 60 7.132 -10.600 6.191 1.00 0.00 O ATOM 633 CB ASN A 60 9.389 -11.110 8.102 1.00 0.00 C ATOM 634 CG ASN A 60 10.075 -10.553 9.334 1.00 0.00 C ATOM 635 OD1 ASN A 60 10.148 -9.339 9.522 1.00 0.00 O ATOM 636 ND2 ASN A 60 10.583 -11.441 10.181 1.00 0.00 N ATOM 0 H ASN A 60 8.397 -13.353 7.852 1.00 0.00 H new ATOM 0 HA ASN A 60 7.651 -11.129 9.365 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.877 -12.038 7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.508 -10.410 7.275 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.057 -11.125 11.027 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.499 -12.439 9.985 1.00 0.00 H new ATOM 643 N LYS A 61 6.267 -9.605 8.014 1.00 0.00 N ATOM 644 CA LYS A 61 5.413 -8.702 7.251 1.00 0.00 C ATOM 645 C LYS A 61 6.105 -7.363 7.010 1.00 0.00 C ATOM 646 O LYS A 61 6.321 -6.962 5.867 1.00 0.00 O ATOM 647 CB LYS A 61 4.090 -8.481 7.985 1.00 0.00 C ATOM 648 CG LYS A 61 3.317 -9.763 8.244 1.00 0.00 C ATOM 649 CD LYS A 61 3.590 -10.305 9.638 1.00 0.00 C ATOM 650 CE LYS A 61 2.537 -11.316 10.062 1.00 0.00 C ATOM 651 NZ LYS A 61 2.146 -11.147 11.489 1.00 0.00 N ATOM 0 H LYS A 61 6.197 -9.497 9.026 1.00 0.00 H new ATOM 0 HA LYS A 61 5.214 -9.163 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.290 -7.989 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.468 -7.803 7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.250 -9.575 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.592 -10.512 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.574 -10.773 9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.612 -9.481 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.656 -11.209 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.920 -12.325 9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.426 -11.855 11.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.981 -11.274 12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.757 -10.193 11.632 1.00 0.00 H new ATOM 665 N THR A 62 6.446 -6.674 8.095 1.00 0.00 N ATOM 666 CA THR A 62 7.110 -5.377 8.002 1.00 0.00 C ATOM 667 C THR A 62 8.389 -5.466 7.171 1.00 0.00 C ATOM 668 O THR A 62 8.852 -4.467 6.621 1.00 0.00 O ATOM 669 CB THR A 62 7.435 -4.844 9.398 1.00 0.00 C ATOM 670 OG1 THR A 62 7.766 -5.906 10.276 1.00 0.00 O ATOM 671 CG2 THR A 62 6.296 -4.069 10.024 1.00 0.00 C ATOM 0 H THR A 62 6.274 -6.992 9.049 1.00 0.00 H new ATOM 0 HA THR A 62 6.426 -4.689 7.505 1.00 0.00 H new ATOM 0 HB THR A 62 8.279 -4.168 9.259 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.972 -5.545 11.163 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.594 -3.720 11.013 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.050 -3.213 9.396 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.423 -4.715 10.115 1.00 0.00 H new ATOM 679 N GLU A 63 8.956 -6.666 7.086 1.00 0.00 N ATOM 680 CA GLU A 63 10.182 -6.880 6.325 1.00 0.00 C ATOM 681 C GLU A 63 10.000 -6.482 4.863 1.00 0.00 C ATOM 682 O GLU A 63 10.619 -5.529 4.388 1.00 0.00 O ATOM 683 CB GLU A 63 10.615 -8.344 6.416 1.00 0.00 C ATOM 684 CG GLU A 63 11.976 -8.617 5.797 1.00 0.00 C ATOM 685 CD GLU A 63 13.105 -8.511 6.804 1.00 0.00 C ATOM 686 OE1 GLU A 63 13.084 -7.568 7.623 1.00 0.00 O ATOM 687 OE2 GLU A 63 14.011 -9.371 6.773 1.00 0.00 O ATOM 0 H GLU A 63 8.586 -7.504 7.534 1.00 0.00 H new ATOM 0 HA GLU A 63 10.959 -6.249 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.635 -8.643 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.869 -8.966 5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.978 -9.615 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.150 -7.911 4.985 1.00 0.00 H new ATOM 694 N VAL A 64 9.152 -7.219 4.152 1.00 0.00 N ATOM 695 CA VAL A 64 8.897 -6.942 2.743 1.00 0.00 C ATOM 696 C VAL A 64 7.900 -5.803 2.565 1.00 0.00 C ATOM 697 O VAL A 64 7.828 -5.209 1.493 1.00 0.00 O ATOM 698 CB VAL A 64 8.363 -8.188 2.006 1.00 0.00 C ATOM 699 CG1 VAL A 64 8.015 -7.857 0.557 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.376 -9.321 2.072 1.00 0.00 C ATOM 0 H VAL A 64 8.631 -8.011 4.528 1.00 0.00 H new ATOM 0 HA VAL A 64 9.855 -6.652 2.312 1.00 0.00 H new ATOM 0 HB VAL A 64 7.450 -8.514 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.641 -8.752 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.249 -7.082 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.907 -7.501 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.983 -10.192 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.307 -9.004 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.565 -9.580 3.114 1.00 0.00 H new ATOM 710 N ALA A 65 7.123 -5.509 3.607 1.00 0.00 N ATOM 711 CA ALA A 65 6.119 -4.446 3.543 1.00 0.00 C ATOM 712 C ALA A 65 6.585 -3.274 2.685 1.00 0.00 C ATOM 713 O ALA A 65 5.808 -2.696 1.938 1.00 0.00 O ATOM 714 CB ALA A 65 5.759 -3.967 4.932 1.00 0.00 C ATOM 0 H ALA A 65 7.169 -5.991 4.505 1.00 0.00 H new ATOM 0 HA ALA A 65 5.231 -4.869 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.011 -3.177 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.356 -4.798 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.650 -3.580 5.426 1.00 0.00 H new ATOM 720 N ARG A 66 7.864 -2.944 2.769 1.00 0.00 N ATOM 721 CA ARG A 66 8.406 -1.863 1.960 1.00 0.00 C ATOM 722 C ARG A 66 8.429 -2.297 0.521 1.00 0.00 C ATOM 723 O ARG A 66 7.796 -1.697 -0.344 1.00 0.00 O ATOM 724 CB ARG A 66 9.810 -1.504 2.403 1.00 0.00 C ATOM 725 CG ARG A 66 9.975 -0.027 2.622 1.00 0.00 C ATOM 726 CD ARG A 66 11.074 0.543 1.762 1.00 0.00 C ATOM 727 NE ARG A 66 12.357 -0.120 1.989 1.00 0.00 N ATOM 728 CZ ARG A 66 12.866 -1.061 1.194 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.205 -1.468 0.116 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.043 -1.600 1.480 1.00 0.00 N ATOM 0 H ARG A 66 8.539 -3.402 3.381 1.00 0.00 H new ATOM 0 HA ARG A 66 7.775 -0.982 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.045 -2.035 3.325 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.524 -1.840 1.651 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.037 0.481 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.198 0.163 3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.798 0.446 0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.177 1.609 1.967 1.00 0.00 H new ATOM 0 HE ARG A 66 12.898 0.155 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.298 -1.060 -0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.604 -2.189 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.557 -1.294 2.307 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.435 -2.320 0.873 1.00 0.00 H new ATOM 744 N GLN A 67 9.143 -3.380 0.290 1.00 0.00 N ATOM 745 CA GLN A 67 9.234 -3.962 -1.036 1.00 0.00 C ATOM 746 C GLN A 67 7.832 -4.125 -1.618 1.00 0.00 C ATOM 747 O GLN A 67 7.656 -4.171 -2.836 1.00 0.00 O ATOM 748 CB GLN A 67 9.946 -5.315 -0.982 1.00 0.00 C ATOM 749 CG GLN A 67 11.452 -5.217 -1.159 1.00 0.00 C ATOM 750 CD GLN A 67 12.198 -6.321 -0.434 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.186 -6.390 0.794 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.852 -7.191 -1.195 1.00 0.00 N ATOM 0 H GLN A 67 9.672 -3.878 1.006 1.00 0.00 H new ATOM 0 HA GLN A 67 9.815 -3.297 -1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.731 -5.791 -0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.539 -5.962 -1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.693 -5.258 -2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.795 -4.250 -0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.834 -7.095 -2.210 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.372 -7.955 -0.764 1.00 0.00 H new ATOM 761 N VAL A 68 6.824 -4.182 -0.737 1.00 0.00 N ATOM 762 CA VAL A 68 5.449 -4.304 -1.195 1.00 0.00 C ATOM 763 C VAL A 68 4.925 -2.935 -1.600 1.00 0.00 C ATOM 764 O VAL A 68 4.136 -2.809 -2.537 1.00 0.00 O ATOM 765 CB VAL A 68 4.502 -4.954 -0.149 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.850 -3.930 0.778 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.430 -5.749 -0.868 1.00 0.00 C ATOM 0 H VAL A 68 6.939 -4.146 0.276 1.00 0.00 H new ATOM 0 HA VAL A 68 5.459 -4.976 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 68 5.109 -5.608 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.200 -4.443 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.623 -3.387 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.261 -3.228 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.764 -6.206 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.857 -5.085 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.897 -6.528 -1.470 1.00 0.00 H new ATOM 777 N GLY A 69 5.389 -1.903 -0.895 1.00 0.00 N ATOM 778 CA GLY A 69 4.974 -0.558 -1.210 1.00 0.00 C ATOM 779 C GLY A 69 5.681 -0.045 -2.436 1.00 0.00 C ATOM 780 O GLY A 69 5.118 0.724 -3.193 1.00 0.00 O ATOM 0 H GLY A 69 6.042 -1.981 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.896 -0.535 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.183 0.098 -0.365 1.00 0.00 H new ATOM 784 N ARG A 70 6.932 -0.465 -2.623 1.00 0.00 N ATOM 785 CA ARG A 70 7.710 -0.030 -3.775 1.00 0.00 C ATOM 786 C ARG A 70 7.184 -0.701 -5.031 1.00 0.00 C ATOM 787 O ARG A 70 7.030 -0.058 -6.067 1.00 0.00 O ATOM 788 CB ARG A 70 9.203 -0.323 -3.580 1.00 0.00 C ATOM 789 CG ARG A 70 9.566 -1.797 -3.649 1.00 0.00 C ATOM 790 CD ARG A 70 9.946 -2.215 -5.061 1.00 0.00 C ATOM 791 NE ARG A 70 10.509 -3.563 -5.099 1.00 0.00 N ATOM 792 CZ ARG A 70 11.764 -3.853 -4.763 1.00 0.00 C ATOM 793 NH1 ARG A 70 12.591 -2.894 -4.366 1.00 0.00 N ATOM 794 NH2 ARG A 70 12.194 -5.106 -4.826 1.00 0.00 N ATOM 0 H ARG A 70 7.423 -1.101 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 70 7.603 1.050 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.769 0.214 -4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.515 0.071 -2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.397 -2.000 -2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.723 -2.396 -3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.065 -2.172 -5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.670 -1.508 -5.466 1.00 0.00 H new ATOM 0 HE ARG A 70 9.904 -4.327 -5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.266 -1.928 -4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.551 -3.123 -4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.563 -5.847 -5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.156 -5.329 -4.569 1.00 0.00 H new ATOM 808 N ALA A 71 6.869 -1.988 -4.922 1.00 0.00 N ATOM 809 CA ALA A 71 6.317 -2.720 -6.047 1.00 0.00 C ATOM 810 C ALA A 71 4.946 -2.154 -6.375 1.00 0.00 C ATOM 811 O ALA A 71 4.599 -1.960 -7.537 1.00 0.00 O ATOM 812 CB ALA A 71 6.222 -4.202 -5.730 1.00 0.00 C ATOM 0 H ALA A 71 6.987 -2.538 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 71 6.974 -2.609 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.806 -4.731 -6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.216 -4.592 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.576 -4.348 -4.864 1.00 0.00 H new ATOM 818 N LEU A 72 4.193 -1.851 -5.321 1.00 0.00 N ATOM 819 CA LEU A 72 2.872 -1.262 -5.454 1.00 0.00 C ATOM 820 C LEU A 72 3.019 0.104 -6.081 1.00 0.00 C ATOM 821 O LEU A 72 2.428 0.411 -7.116 1.00 0.00 O ATOM 822 CB LEU A 72 2.233 -1.128 -4.074 1.00 0.00 C ATOM 823 CG LEU A 72 0.905 -0.371 -4.034 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.260 -1.340 -3.889 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.910 0.638 -2.894 1.00 0.00 C ATOM 0 H LEU A 72 4.484 -2.008 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 72 2.239 -1.893 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.074 -2.127 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.939 -0.624 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 72 0.783 0.168 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.196 -0.782 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.270 -2.026 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.149 -1.907 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.041 1.171 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.052 0.117 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.722 1.350 -3.042 1.00 0.00 H new ATOM 837 N ALA A 73 3.855 0.903 -5.441 1.00 0.00 N ATOM 838 CA ALA A 73 4.156 2.247 -5.914 1.00 0.00 C ATOM 839 C ALA A 73 4.648 2.189 -7.343 1.00 0.00 C ATOM 840 O ALA A 73 4.499 3.143 -8.098 1.00 0.00 O ATOM 841 CB ALA A 73 5.183 2.926 -5.013 1.00 0.00 C ATOM 0 H ALA A 73 4.343 0.643 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 73 3.243 2.842 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.390 3.928 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.790 2.992 -3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.104 2.343 -5.007 1.00 0.00 H new ATOM 847 N GLU A 74 5.202 1.045 -7.712 1.00 0.00 N ATOM 848 CA GLU A 74 5.680 0.830 -9.055 1.00 0.00 C ATOM 849 C GLU A 74 4.485 0.685 -9.986 1.00 0.00 C ATOM 850 O GLU A 74 4.496 1.161 -11.121 1.00 0.00 O ATOM 851 CB GLU A 74 6.533 -0.427 -9.083 1.00 0.00 C ATOM 852 CG GLU A 74 7.554 -0.441 -10.201 1.00 0.00 C ATOM 853 CD GLU A 74 7.719 -1.812 -10.828 1.00 0.00 C ATOM 854 OE1 GLU A 74 7.970 -2.780 -10.080 1.00 0.00 O ATOM 855 OE2 GLU A 74 7.597 -1.918 -12.066 1.00 0.00 O ATOM 0 H GLU A 74 5.329 0.248 -7.088 1.00 0.00 H new ATOM 0 HA GLU A 74 6.286 1.674 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.050 -0.527 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.882 -1.296 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.254 0.271 -10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.516 -0.106 -9.813 1.00 0.00 H new ATOM 862 N LYS A 75 3.444 0.038 -9.469 1.00 0.00 N ATOM 863 CA LYS A 75 2.207 -0.166 -10.212 1.00 0.00 C ATOM 864 C LYS A 75 1.461 1.142 -10.335 1.00 0.00 C ATOM 865 O LYS A 75 1.284 1.676 -11.429 1.00 0.00 O ATOM 866 CB LYS A 75 1.319 -1.168 -9.497 1.00 0.00 C ATOM 867 CG LYS A 75 2.070 -2.363 -8.983 1.00 0.00 C ATOM 868 CD LYS A 75 1.159 -3.296 -8.210 1.00 0.00 C ATOM 869 CE LYS A 75 1.687 -4.721 -8.206 1.00 0.00 C ATOM 870 NZ LYS A 75 2.315 -5.078 -6.904 1.00 0.00 N ATOM 0 H LYS A 75 3.435 -0.357 -8.529 1.00 0.00 H new ATOM 0 HA LYS A 75 2.460 -0.546 -11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.822 -0.673 -8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.538 -1.504 -10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.519 -2.900 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.886 -2.033 -8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.061 -2.941 -7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.162 -3.279 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.870 -5.411 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.418 -4.839 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.232 -5.538 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.461 -4.216 -6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.692 -5.729 -6.385 1.00 0.00 H new ATOM 884 N ALA A 76 1.037 1.655 -9.186 1.00 0.00 N ATOM 885 CA ALA A 76 0.316 2.927 -9.135 1.00 0.00 C ATOM 886 C ALA A 76 1.018 3.938 -10.023 1.00 0.00 C ATOM 887 O ALA A 76 0.393 4.679 -10.780 1.00 0.00 O ATOM 888 CB ALA A 76 0.244 3.457 -7.710 1.00 0.00 C ATOM 0 H ALA A 76 1.178 1.213 -8.278 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.702 2.765 -9.490 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.297 4.403 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.276 2.736 -7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.253 3.612 -7.328 1.00 0.00 H new ATOM 894 N LEU A 77 2.336 3.933 -9.930 1.00 0.00 N ATOM 895 CA LEU A 77 3.164 4.813 -10.726 1.00 0.00 C ATOM 896 C LEU A 77 2.944 4.581 -12.215 1.00 0.00 C ATOM 897 O LEU A 77 2.894 5.524 -13.004 1.00 0.00 O ATOM 898 CB LEU A 77 4.631 4.580 -10.388 1.00 0.00 C ATOM 899 CG LEU A 77 5.217 5.481 -9.307 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.659 5.083 -9.025 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.133 6.942 -9.727 1.00 0.00 C ATOM 0 H LEU A 77 2.858 3.321 -9.303 1.00 0.00 H new ATOM 0 HA LEU A 77 2.887 5.841 -10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.751 3.543 -10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.218 4.708 -11.298 1.00 0.00 H new ATOM 0 HG LEU A 77 4.637 5.359 -8.393 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.071 5.731 -8.252 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.691 4.048 -8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.249 5.185 -9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.556 7.571 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.693 7.088 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.090 7.215 -9.888 1.00 0.00 H new ATOM 913 N ALA A 78 2.823 3.314 -12.588 1.00 0.00 N ATOM 914 CA ALA A 78 2.616 2.936 -13.979 1.00 0.00 C ATOM 915 C ALA A 78 1.454 3.707 -14.599 1.00 0.00 C ATOM 916 O ALA A 78 1.418 3.926 -15.809 1.00 0.00 O ATOM 917 CB ALA A 78 2.393 1.439 -14.071 1.00 0.00 C ATOM 0 H ALA A 78 2.865 2.526 -11.942 1.00 0.00 H new ATOM 0 HA ALA A 78 3.509 3.195 -14.548 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.238 1.158 -15.113 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.266 0.916 -13.680 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.514 1.165 -13.487 1.00 0.00 H new ATOM 923 N LEU A 79 0.524 4.145 -13.757 1.00 0.00 N ATOM 924 CA LEU A 79 -0.615 4.924 -14.215 1.00 0.00 C ATOM 925 C LEU A 79 -0.245 6.400 -14.186 1.00 0.00 C ATOM 926 O LEU A 79 -0.776 7.211 -14.944 1.00 0.00 O ATOM 927 CB LEU A 79 -1.842 4.700 -13.320 1.00 0.00 C ATOM 928 CG LEU A 79 -1.851 3.426 -12.468 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.332 3.745 -11.061 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.736 2.365 -13.106 1.00 0.00 C ATOM 0 H LEU A 79 0.539 3.972 -12.752 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.866 4.606 -15.227 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.937 5.556 -12.652 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.728 4.691 -13.954 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.835 3.034 -12.411 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.335 2.834 -10.462 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.664 4.476 -10.605 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.342 4.154 -11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.731 1.467 -12.488 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.755 2.743 -13.189 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.357 2.124 -14.099 1.00 0.00 H new ATOM 942 N GLY A 80 0.671 6.727 -13.282 1.00 0.00 N ATOM 943 CA GLY A 80 1.122 8.086 -13.117 1.00 0.00 C ATOM 944 C GLY A 80 0.680 8.663 -11.790 1.00 0.00 C ATOM 945 O GLY A 80 0.769 9.870 -11.567 1.00 0.00 O ATOM 0 H GLY A 80 1.113 6.057 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.209 8.120 -13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.733 8.700 -13.929 1.00 0.00 H new ATOM 949 N ILE A 81 0.206 7.791 -10.900 1.00 0.00 N ATOM 950 CA ILE A 81 -0.244 8.219 -9.587 1.00 0.00 C ATOM 951 C ILE A 81 0.933 8.704 -8.768 1.00 0.00 C ATOM 952 O ILE A 81 1.742 7.920 -8.273 1.00 0.00 O ATOM 953 CB ILE A 81 -1.009 7.093 -8.845 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.411 6.876 -9.451 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.130 7.401 -7.356 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.735 7.746 -10.652 1.00 0.00 C ATOM 0 H ILE A 81 0.126 6.788 -11.069 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.943 9.044 -9.723 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.433 6.176 -8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.506 5.830 -9.743 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.157 7.059 -8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.671 6.595 -6.860 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.135 7.491 -6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.671 8.337 -7.221 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.741 7.519 -11.005 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.679 8.796 -10.366 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.018 7.548 -11.449 1.00 0.00 H new ATOM 968 N LYS A 82 1.018 10.018 -8.655 1.00 0.00 N ATOM 969 CA LYS A 82 2.077 10.659 -7.933 1.00 0.00 C ATOM 970 C LYS A 82 1.680 10.914 -6.490 1.00 0.00 C ATOM 971 O LYS A 82 2.417 10.586 -5.563 1.00 0.00 O ATOM 972 CB LYS A 82 2.404 11.973 -8.617 1.00 0.00 C ATOM 973 CG LYS A 82 3.646 12.594 -8.068 1.00 0.00 C ATOM 974 CD LYS A 82 4.423 13.355 -9.130 1.00 0.00 C ATOM 975 CE LYS A 82 3.591 14.476 -9.733 1.00 0.00 C ATOM 976 NZ LYS A 82 3.382 15.593 -8.771 1.00 0.00 N ATOM 0 H LYS A 82 0.345 10.664 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 82 2.950 10.006 -7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.525 11.805 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.569 12.663 -8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.383 13.272 -7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.281 11.817 -7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.331 13.770 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.734 12.668 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.086 14.855 -10.627 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.624 14.082 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.854 16.358 -9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.842 15.249 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.304 15.953 -8.452 1.00 0.00 H new ATOM 990 N GLN A 83 0.509 11.505 -6.316 1.00 0.00 N ATOM 991 CA GLN A 83 -0.007 11.814 -4.992 1.00 0.00 C ATOM 992 C GLN A 83 -1.298 11.054 -4.737 1.00 0.00 C ATOM 993 O GLN A 83 -2.164 10.977 -5.608 1.00 0.00 O ATOM 994 CB GLN A 83 -0.244 13.319 -4.856 1.00 0.00 C ATOM 995 CG GLN A 83 0.792 14.011 -3.991 1.00 0.00 C ATOM 996 CD GLN A 83 1.679 14.955 -4.778 1.00 0.00 C ATOM 997 OE1 GLN A 83 1.197 15.756 -5.579 1.00 0.00 O ATOM 998 NE2 GLN A 83 2.985 14.865 -4.553 1.00 0.00 N ATOM 0 H GLN A 83 -0.106 11.782 -7.081 1.00 0.00 H new ATOM 0 HA GLN A 83 0.730 11.506 -4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.241 13.772 -5.847 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.234 13.488 -4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.286 14.568 -3.202 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.412 13.259 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.341 14.186 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.632 15.475 -5.053 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.426 10.487 -3.544 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.621 9.729 -3.201 1.00 0.00 C ATOM 1009 C VAL A 84 -3.290 10.265 -1.942 1.00 0.00 C ATOM 1010 O VAL A 84 -2.685 10.992 -1.155 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.330 8.224 -2.998 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.417 7.386 -3.639 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.972 7.831 -3.555 1.00 0.00 C ATOM 0 H VAL A 84 -0.725 10.537 -2.805 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.292 9.848 -4.052 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.316 8.036 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.198 6.329 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.378 7.626 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.458 7.599 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.806 6.766 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.942 8.044 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.193 8.401 -3.049 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.546 9.876 -1.761 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.327 10.282 -0.601 1.00 0.00 C ATOM 1025 C ALA A 85 -5.455 9.119 0.372 1.00 0.00 C ATOM 1026 O ALA A 85 -6.237 8.196 0.147 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.704 10.762 -1.035 1.00 0.00 C ATOM 0 H ALA A 85 -5.049 9.273 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.815 11.104 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.278 11.063 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.597 11.613 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.225 9.955 -1.550 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.674 9.154 1.444 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.702 8.084 2.430 1.00 0.00 C ATOM 1035 C PHE A 86 -5.861 8.251 3.404 1.00 0.00 C ATOM 1036 O PHE A 86 -5.967 9.261 4.100 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.380 8.021 3.193 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.846 6.624 3.328 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.197 6.012 2.268 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -2.999 5.922 4.512 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.709 4.724 2.389 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.515 4.634 4.637 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.869 4.035 3.575 1.00 0.00 C ATOM 0 H PHE A 86 -4.018 9.907 1.651 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.846 7.147 1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.642 8.638 2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.519 8.448 4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.071 6.546 1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.502 6.387 5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.203 4.257 1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.642 4.097 5.565 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.489 3.029 3.671 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.722 7.242 3.446 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.878 7.249 4.330 1.00 0.00 C ATOM 1055 C ASP A 87 -8.214 5.829 4.766 1.00 0.00 C ATOM 1056 O ASP A 87 -9.374 5.415 4.742 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.079 7.887 3.632 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.891 8.764 4.563 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.284 9.563 5.307 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -11.135 8.653 4.549 1.00 0.00 O ATOM 0 H ASP A 87 -6.639 6.402 2.873 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.637 7.840 5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.731 8.483 2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.718 7.103 3.226 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.180 5.087 5.159 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.332 3.701 5.602 1.00 0.00 C ATOM 1067 C ARG A 88 -8.578 3.519 6.468 1.00 0.00 C ATOM 1068 O ARG A 88 -9.194 2.454 6.469 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.092 3.260 6.383 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.571 4.314 7.350 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.234 3.909 7.951 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.039 4.476 9.284 1.00 0.00 N ATOM 1073 CZ ARG A 88 -3.848 5.772 9.518 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -3.822 6.638 8.512 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -3.681 6.204 10.760 1.00 0.00 N ATOM 0 H ARG A 88 -6.218 5.427 5.180 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.446 3.081 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.328 2.353 6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.301 3.004 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.463 5.265 6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.298 4.468 8.148 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.176 2.822 8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.427 4.238 7.296 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.050 3.841 10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.949 6.311 7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.675 7.630 8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.699 5.543 11.537 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.535 7.197 10.939 1.00 0.00 H new ATOM 1089 N GLY A 89 -8.940 4.564 7.207 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.106 4.493 8.067 1.00 0.00 C ATOM 1091 C GLY A 89 -9.751 4.033 9.469 1.00 0.00 C ATOM 1092 O GLY A 89 -8.888 4.629 10.112 1.00 0.00 O ATOM 0 H GLY A 89 -8.447 5.457 7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.580 5.473 8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.835 3.808 7.634 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.394 2.964 9.977 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.113 2.442 11.317 1.00 0.00 C ATOM 1098 C PRO A 90 -8.732 1.794 11.394 1.00 0.00 C ATOM 1099 O PRO A 90 -8.607 0.606 11.692 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.213 1.391 11.547 1.00 0.00 C ATOM 1101 CG PRO A 90 -12.197 1.584 10.440 1.00 0.00 C ATOM 1102 CD PRO A 90 -11.432 2.181 9.296 1.00 0.00 C ATOM 0 HA PRO A 90 -10.110 3.232 12.068 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.800 0.382 11.532 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.687 1.527 12.519 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -12.649 0.635 10.152 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.008 2.242 10.751 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.003 1.414 8.651 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.065 2.808 8.668 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.697 2.580 11.113 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.329 2.078 11.141 1.00 0.00 C ATOM 1112 C TYR A 91 -5.414 3.004 11.929 1.00 0.00 C ATOM 1113 O TYR A 91 -5.689 4.195 12.078 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.782 1.937 9.719 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.121 0.627 9.052 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.442 0.259 8.835 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.119 -0.239 8.631 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.758 -0.934 8.218 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.427 -1.436 8.012 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.749 -1.778 7.808 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.062 -2.967 7.194 1.00 0.00 O ATOM 0 H TYR A 91 -7.780 3.566 10.864 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.352 1.103 11.629 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.171 2.753 9.110 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.698 2.048 9.746 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.236 0.918 9.155 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.084 0.027 8.790 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.791 -1.205 8.057 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.638 -2.100 7.690 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.899 -2.867 6.694 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.313 2.445 12.404 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.322 3.201 13.152 1.00 0.00 C ATOM 1133 C LYS A 92 -1.936 2.897 12.603 1.00 0.00 C ATOM 1134 O LYS A 92 -1.648 1.753 12.258 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.391 2.851 14.640 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.019 4.007 15.555 1.00 0.00 C ATOM 1137 CD LYS A 92 -3.910 5.216 15.318 1.00 0.00 C ATOM 1138 CE LYS A 92 -3.150 6.344 14.638 1.00 0.00 C ATOM 1139 NZ LYS A 92 -3.958 7.593 14.564 1.00 0.00 N ATOM 0 H LYS A 92 -4.082 1.459 12.283 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.529 4.266 13.043 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.401 2.519 14.880 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.724 2.012 14.839 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.103 3.691 16.595 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.978 4.283 15.389 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.761 4.927 14.702 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.310 5.567 16.269 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.227 6.541 15.184 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.866 6.035 13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.404 8.337 14.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.827 7.413 14.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.208 7.902 15.525 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.082 3.919 12.518 1.00 0.00 N ATOM 1154 CA TYR A 93 0.279 3.746 12.003 1.00 0.00 C ATOM 1155 C TYR A 93 0.880 2.445 12.536 1.00 0.00 C ATOM 1156 O TYR A 93 1.430 2.411 13.637 1.00 0.00 O ATOM 1157 CB TYR A 93 1.145 4.942 12.414 1.00 0.00 C ATOM 1158 CG TYR A 93 2.247 5.288 11.433 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.062 5.144 10.062 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.471 5.772 11.880 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.065 5.469 9.168 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.477 6.102 10.991 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.270 5.948 9.637 1.00 0.00 C ATOM 1164 OH TYR A 93 5.269 6.275 8.750 1.00 0.00 O ATOM 0 H TYR A 93 -1.308 4.873 12.798 1.00 0.00 H new ATOM 0 HA TYR A 93 0.246 3.693 10.915 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.502 5.813 12.541 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.593 4.733 13.385 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.119 4.772 9.690 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.639 5.892 12.940 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.906 5.348 8.107 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.421 6.479 11.356 1.00 0.00 H new ATOM 0 HH TYR A 93 6.052 6.598 9.243 1.00 0.00 H new ATOM 1174 N HIS A 94 0.736 1.366 11.764 1.00 0.00 N ATOM 1175 CA HIS A 94 1.230 0.060 12.187 1.00 0.00 C ATOM 1176 C HIS A 94 2.389 -0.432 11.325 1.00 0.00 C ATOM 1177 O HIS A 94 2.493 -0.089 10.148 1.00 0.00 O ATOM 1178 CB HIS A 94 0.089 -0.966 12.189 1.00 0.00 C ATOM 1179 CG HIS A 94 -0.633 -1.125 10.889 1.00 0.00 C ATOM 1180 ND1 HIS A 94 -0.055 -1.685 9.772 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -1.912 -0.843 10.546 1.00 0.00 C ATOM 1182 CE1 HIS A 94 -0.947 -1.742 8.799 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -2.083 -1.239 9.241 1.00 0.00 N ATOM 0 H HIS A 94 0.284 1.373 10.850 1.00 0.00 H new ATOM 0 HA HIS A 94 1.613 0.174 13.201 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.495 -1.935 12.481 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.633 -0.680 12.954 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.660 -0.391 11.181 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.775 -2.135 7.808 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -2.946 -1.157 8.703 1.00 0.00 H new ATOM 1192 N GLY A 95 3.257 -1.243 11.946 1.00 0.00 N ATOM 1193 CA GLY A 95 4.429 -1.806 11.278 1.00 0.00 C ATOM 1194 C GLY A 95 4.328 -1.825 9.765 1.00 0.00 C ATOM 1195 O GLY A 95 5.186 -1.278 9.073 1.00 0.00 O ATOM 0 H GLY A 95 3.163 -1.524 12.922 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.309 -1.231 11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.583 -2.825 11.634 1.00 0.00 H new ATOM 1199 N ARG A 96 3.277 -2.451 9.253 1.00 0.00 N ATOM 1200 CA ARG A 96 3.071 -2.529 7.811 1.00 0.00 C ATOM 1201 C ARG A 96 3.012 -1.125 7.220 1.00 0.00 C ATOM 1202 O ARG A 96 3.878 -0.733 6.438 1.00 0.00 O ATOM 1203 CB ARG A 96 1.782 -3.288 7.472 1.00 0.00 C ATOM 1204 CG ARG A 96 1.430 -4.412 8.438 1.00 0.00 C ATOM 1205 CD ARG A 96 2.173 -5.694 8.100 1.00 0.00 C ATOM 1206 NE ARG A 96 3.338 -5.897 8.960 1.00 0.00 N ATOM 1207 CZ ARG A 96 3.269 -6.050 10.281 1.00 0.00 C ATOM 1208 NH1 ARG A 96 2.098 -6.013 10.903 1.00 0.00 N ATOM 1209 NH2 ARG A 96 4.377 -6.241 10.984 1.00 0.00 N ATOM 0 H ARG A 96 2.557 -2.910 9.810 1.00 0.00 H new ATOM 0 HA ARG A 96 3.910 -3.074 7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.955 -2.578 7.446 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.876 -3.705 6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.674 -4.107 9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.356 -4.595 8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.496 -6.542 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.493 -5.664 7.058 1.00 0.00 H new ATOM 0 HE ARG A 96 4.259 -5.923 8.522 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.241 -5.866 10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.054 -6.131 11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.281 -6.271 10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.325 -6.358 11.996 1.00 0.00 H new ATOM 1223 N VAL A 97 1.986 -0.373 7.619 1.00 0.00 N ATOM 1224 CA VAL A 97 1.788 1.000 7.165 1.00 0.00 C ATOM 1225 C VAL A 97 3.110 1.723 6.981 1.00 0.00 C ATOM 1226 O VAL A 97 3.325 2.379 5.978 1.00 0.00 O ATOM 1227 CB VAL A 97 0.931 1.790 8.170 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.813 3.250 7.772 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.437 1.159 8.299 1.00 0.00 C ATOM 0 H VAL A 97 1.269 -0.701 8.267 1.00 0.00 H new ATOM 0 HA VAL A 97 1.276 0.944 6.205 1.00 0.00 H new ATOM 0 HB VAL A 97 1.428 1.754 9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.201 3.778 8.503 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.806 3.699 7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.347 3.323 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.034 1.727 9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.932 1.162 7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.332 0.132 8.649 1.00 0.00 H new ATOM 1239 N LYS A 98 3.990 1.602 7.958 1.00 0.00 N ATOM 1240 CA LYS A 98 5.284 2.253 7.883 1.00 0.00 C ATOM 1241 C LYS A 98 6.034 1.835 6.623 1.00 0.00 C ATOM 1242 O LYS A 98 6.055 2.563 5.632 1.00 0.00 O ATOM 1243 CB LYS A 98 6.113 1.919 9.115 1.00 0.00 C ATOM 1244 CG LYS A 98 6.191 3.064 10.104 1.00 0.00 C ATOM 1245 CD LYS A 98 4.951 3.171 10.989 1.00 0.00 C ATOM 1246 CE LYS A 98 4.443 1.820 11.448 1.00 0.00 C ATOM 1247 NZ LYS A 98 5.503 1.025 12.127 1.00 0.00 N ATOM 0 H LYS A 98 3.833 1.062 8.809 1.00 0.00 H new ATOM 0 HA LYS A 98 5.119 3.330 7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.684 1.048 9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.121 1.645 8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.071 2.934 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.324 3.999 9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.183 3.783 11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.161 3.685 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.604 1.961 12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.067 1.264 10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.063 0.342 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.064 0.515 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.124 1.662 12.665 1.00 0.00 H new ATOM 1261 N ALA A 99 6.649 0.656 6.676 1.00 0.00 N ATOM 1262 CA ALA A 99 7.409 0.130 5.550 1.00 0.00 C ATOM 1263 C ALA A 99 6.600 0.154 4.257 1.00 0.00 C ATOM 1264 O ALA A 99 7.110 0.532 3.206 1.00 0.00 O ATOM 1265 CB ALA A 99 7.877 -1.286 5.853 1.00 0.00 C ATOM 0 H ALA A 99 6.634 0.045 7.493 1.00 0.00 H new ATOM 0 HA ALA A 99 8.276 0.775 5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.444 -1.671 5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.510 -1.278 6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.012 -1.925 6.031 1.00 0.00 H new ATOM 1271 N LEU A 100 5.334 -0.242 4.337 1.00 0.00 N ATOM 1272 CA LEU A 100 4.469 -0.263 3.177 1.00 0.00 C ATOM 1273 C LEU A 100 4.309 1.132 2.615 1.00 0.00 C ATOM 1274 O LEU A 100 4.378 1.349 1.405 1.00 0.00 O ATOM 1275 CB LEU A 100 3.099 -0.825 3.562 1.00 0.00 C ATOM 1276 CG LEU A 100 1.983 -0.509 2.575 1.00 0.00 C ATOM 1277 CD1 LEU A 100 0.944 -1.616 2.565 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.339 0.834 2.898 1.00 0.00 C ATOM 0 H LEU A 100 4.888 -0.553 5.200 1.00 0.00 H new ATOM 0 HA LEU A 100 4.920 -0.899 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.181 -1.907 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.822 -0.433 4.541 1.00 0.00 H new ATOM 0 HG LEU A 100 2.420 -0.444 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.156 -1.369 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.415 -2.555 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.513 -1.720 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.545 1.039 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.920 0.804 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.091 1.621 2.841 1.00 0.00 H new ATOM 1290 N ALA A 101 4.080 2.071 3.512 1.00 0.00 N ATOM 1291 CA ALA A 101 3.890 3.455 3.126 1.00 0.00 C ATOM 1292 C ALA A 101 5.164 4.029 2.532 1.00 0.00 C ATOM 1293 O ALA A 101 5.106 4.770 1.552 1.00 0.00 O ATOM 1294 CB ALA A 101 3.391 4.276 4.298 1.00 0.00 C ATOM 0 H ALA A 101 4.021 1.900 4.516 1.00 0.00 H new ATOM 0 HA ALA A 101 3.124 3.497 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.255 5.311 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.439 3.874 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.119 4.234 5.108 1.00 0.00 H new ATOM 1300 N GLU A 102 6.326 3.652 3.076 1.00 0.00 N ATOM 1301 CA GLU A 102 7.572 4.129 2.494 1.00 0.00 C ATOM 1302 C GLU A 102 7.699 3.493 1.129 1.00 0.00 C ATOM 1303 O GLU A 102 8.017 4.158 0.163 1.00 0.00 O ATOM 1304 CB GLU A 102 8.824 3.827 3.337 1.00 0.00 C ATOM 1305 CG GLU A 102 8.547 3.309 4.746 1.00 0.00 C ATOM 1306 CD GLU A 102 9.818 2.961 5.496 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.859 2.756 4.837 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.772 2.893 6.743 1.00 0.00 O ATOM 0 H GLU A 102 6.425 3.042 3.887 1.00 0.00 H new ATOM 0 HA GLU A 102 7.524 5.217 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.430 3.091 2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.421 4.736 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.994 4.064 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.910 2.426 4.687 1.00 0.00 H new ATOM 1315 N GLY A 103 7.378 2.204 1.046 1.00 0.00 N ATOM 1316 CA GLY A 103 7.405 1.520 -0.233 1.00 0.00 C ATOM 1317 C GLY A 103 6.642 2.305 -1.267 1.00 0.00 C ATOM 1318 O GLY A 103 7.167 2.697 -2.307 1.00 0.00 O ATOM 0 H GLY A 103 7.101 1.625 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.437 1.385 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.971 0.526 -0.129 1.00 0.00 H new ATOM 1322 N ALA A 104 5.370 2.510 -0.949 1.00 0.00 N ATOM 1323 CA ALA A 104 4.452 3.232 -1.807 1.00 0.00 C ATOM 1324 C ALA A 104 4.931 4.657 -2.054 1.00 0.00 C ATOM 1325 O ALA A 104 4.755 5.201 -3.140 1.00 0.00 O ATOM 1326 CB ALA A 104 3.063 3.227 -1.194 1.00 0.00 C ATOM 0 H ALA A 104 4.948 2.176 -0.082 1.00 0.00 H new ATOM 0 HA ALA A 104 4.414 2.729 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.377 3.771 -1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.718 2.199 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.095 3.707 -0.216 1.00 0.00 H new ATOM 1332 N ARG A 105 5.551 5.261 -1.045 1.00 0.00 N ATOM 1333 CA ARG A 105 6.060 6.623 -1.172 1.00 0.00 C ATOM 1334 C ARG A 105 7.480 6.618 -1.730 1.00 0.00 C ATOM 1335 O ARG A 105 7.890 7.546 -2.428 1.00 0.00 O ATOM 1336 CB ARG A 105 6.007 7.344 0.183 1.00 0.00 C ATOM 1337 CG ARG A 105 6.789 8.652 0.236 1.00 0.00 C ATOM 1338 CD ARG A 105 5.871 9.860 0.146 1.00 0.00 C ATOM 1339 NE ARG A 105 5.446 10.324 1.465 1.00 0.00 N ATOM 1340 CZ ARG A 105 5.004 11.555 1.713 1.00 0.00 C ATOM 1341 NH1 ARG A 105 4.919 12.448 0.735 1.00 0.00 N ATOM 1342 NH2 ARG A 105 4.645 11.894 2.943 1.00 0.00 N ATOM 0 H ARG A 105 5.713 4.832 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 105 5.425 7.165 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.965 7.548 0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.392 6.674 0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.360 8.697 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.508 8.680 -0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.385 10.668 -0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.994 9.605 -0.449 1.00 0.00 H new ATOM 0 HE ARG A 105 5.491 9.665 2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.193 12.193 -0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.579 13.389 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.708 11.212 3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.306 12.837 3.134 1.00 0.00 H new ATOM 1356 N GLU A 106 8.219 5.562 -1.429 1.00 0.00 N ATOM 1357 CA GLU A 106 9.582 5.420 -1.902 1.00 0.00 C ATOM 1358 C GLU A 106 9.542 5.069 -3.386 1.00 0.00 C ATOM 1359 O GLU A 106 10.388 5.501 -4.169 1.00 0.00 O ATOM 1360 CB GLU A 106 10.316 4.328 -1.095 1.00 0.00 C ATOM 1361 CG GLU A 106 10.242 2.936 -1.701 1.00 0.00 C ATOM 1362 CD GLU A 106 11.182 1.959 -1.023 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.895 2.374 -0.086 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.208 0.779 -1.431 1.00 0.00 O ATOM 0 H GLU A 106 7.892 4.786 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 106 10.128 6.353 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.364 4.611 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.897 4.295 -0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.220 2.564 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.484 2.992 -2.762 1.00 0.00 H new ATOM 1371 N GLY A 107 8.525 4.288 -3.758 1.00 0.00 N ATOM 1372 CA GLY A 107 8.352 3.893 -5.140 1.00 0.00 C ATOM 1373 C GLY A 107 7.938 5.073 -6.009 1.00 0.00 C ATOM 1374 O GLY A 107 8.511 5.284 -7.078 1.00 0.00 O ATOM 0 H GLY A 107 7.818 3.923 -3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.283 3.470 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.597 3.110 -5.204 1.00 0.00 H new ATOM 1378 N GLY A 108 6.959 5.867 -5.546 1.00 0.00 N ATOM 1379 CA GLY A 108 6.533 7.030 -6.318 1.00 0.00 C ATOM 1380 C GLY A 108 5.325 7.773 -5.750 1.00 0.00 C ATOM 1381 O GLY A 108 5.165 8.968 -5.997 1.00 0.00 O ATOM 0 H GLY A 108 6.464 5.726 -4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.369 7.726 -6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.299 6.708 -7.333 1.00 0.00 H new ATOM 1385 N LEU A 109 4.456 7.072 -5.028 1.00 0.00 N ATOM 1386 CA LEU A 109 3.245 7.676 -4.476 1.00 0.00 C ATOM 1387 C LEU A 109 3.519 8.633 -3.324 1.00 0.00 C ATOM 1388 O LEU A 109 4.415 8.425 -2.514 1.00 0.00 O ATOM 1389 CB LEU A 109 2.292 6.583 -4.006 1.00 0.00 C ATOM 1390 CG LEU A 109 1.638 5.801 -5.131 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.693 5.179 -6.019 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.691 4.746 -4.576 1.00 0.00 C ATOM 0 H LEU A 109 4.567 6.082 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 109 2.797 8.262 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.839 5.890 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.513 7.035 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 109 1.047 6.489 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.210 4.621 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.317 5.964 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.313 4.503 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.234 4.198 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.248 4.054 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.087 5.230 -3.986 1.00 0.00 H new ATOM 1404 N GLU A 110 2.709 9.679 -3.261 1.00 0.00 N ATOM 1405 CA GLU A 110 2.815 10.680 -2.208 1.00 0.00 C ATOM 1406 C GLU A 110 1.460 10.898 -1.539 1.00 0.00 C ATOM 1407 O GLU A 110 0.643 11.689 -2.011 1.00 0.00 O ATOM 1408 CB GLU A 110 3.352 11.995 -2.768 1.00 0.00 C ATOM 1409 CG GLU A 110 4.868 12.096 -2.715 1.00 0.00 C ATOM 1410 CD GLU A 110 5.508 12.027 -4.088 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.441 13.033 -4.825 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.075 10.967 -4.426 1.00 0.00 O ATOM 0 H GLU A 110 1.964 9.858 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 110 3.516 10.315 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.023 12.103 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.920 12.824 -2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.149 13.033 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.260 11.290 -2.095 1.00 0.00 H new ATOM 1419 N PHE A 111 1.226 10.183 -0.445 1.00 0.00 N ATOM 1420 CA PHE A 111 -0.035 10.283 0.287 1.00 0.00 C ATOM 1421 C PHE A 111 0.200 10.769 1.714 1.00 0.00 C ATOM 1422 O PHE A 111 -0.011 11.973 1.970 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.736 8.921 0.304 1.00 0.00 C ATOM 1424 CG PHE A 111 0.223 7.771 0.391 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.940 7.373 -0.722 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.422 7.104 1.588 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.837 6.329 -0.646 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.321 6.060 1.672 1.00 0.00 C ATOM 1429 CZ PHE A 111 2.030 5.672 0.552 1.00 0.00 C ATOM 1430 OXT PHE A 111 0.592 9.941 2.563 1.00 0.00 O ATOM 0 H PHE A 111 1.894 9.525 -0.043 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.671 11.009 -0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.421 8.881 1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.339 8.817 -0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.796 7.886 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.132 7.404 2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.388 6.025 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.470 5.548 2.611 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.734 4.856 0.614 1.00 0.00 H new TER 1440 PHE A 111