USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 541 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 121 GLN : amide:sc= -3.96! C(o=-5.2!,f=-16!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= -1.23 K(o=-5.2,f=-6.4) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 170:sc= -0.0818 USER MOD Single : A 79 SER OG : rot 180:sc= 0.078 USER MOD Single : A 81 GLN : amide:sc=-0.00973 X(o=-0.0097,f=0) USER MOD Single : A 83 SER OG : rot -40:sc= 0.239 USER MOD Single : A 85 TYR OH : rot 180:sc= 0.0328 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -111:sc= -0.207 (180deg=-1.22) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -145:sc= -0.513 (180deg=-2.13!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.961 K(o=-0.96,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 85 N ARG A 66 -4.641 13.302 2.012 1.00 0.00 N ATOM 86 CA ARG A 66 -5.335 12.263 1.262 1.00 0.00 C ATOM 87 C ARG A 66 -4.736 10.890 1.552 1.00 0.00 C ATOM 88 O ARG A 66 -4.564 10.073 0.647 1.00 0.00 O ATOM 89 CB ARG A 66 -5.267 12.554 -0.239 1.00 0.00 C ATOM 90 CG ARG A 66 -5.857 13.901 -0.625 1.00 0.00 C ATOM 91 CD ARG A 66 -5.512 14.269 -2.059 1.00 0.00 C ATOM 92 NE ARG A 66 -5.553 15.713 -2.279 1.00 0.00 N ATOM 93 CZ ARG A 66 -5.399 16.279 -3.470 1.00 0.00 C ATOM 94 NH1 ARG A 66 -5.195 15.529 -4.544 1.00 0.00 N ATOM 95 NH2 ARG A 66 -5.450 17.600 -3.589 1.00 0.00 N ATOM 0 HA ARG A 66 -6.378 12.259 1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.226 12.517 -0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.796 11.767 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.940 13.873 -0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.482 14.671 0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.517 13.894 -2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.211 13.779 -2.737 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.708 16.319 -1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.156 14.513 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.077 15.967 -5.457 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.608 18.181 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.332 18.035 -4.504 1.00 0.00 H new ATOM 109 N SER A 67 -4.419 10.644 2.819 1.00 0.00 N ATOM 110 CA SER A 67 -3.835 9.372 3.228 1.00 0.00 C ATOM 111 C SER A 67 -4.647 8.738 4.353 1.00 0.00 C ATOM 112 O SER A 67 -5.433 9.409 5.022 1.00 0.00 O ATOM 113 CB SER A 67 -2.387 9.574 3.680 1.00 0.00 C ATOM 114 OG SER A 67 -1.608 10.156 2.649 1.00 0.00 O ATOM 0 H SER A 67 -4.557 11.309 3.580 1.00 0.00 H new ATOM 0 HA SER A 67 -3.850 8.700 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.364 10.213 4.563 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.956 8.616 3.969 1.00 0.00 H new ATOM 0 HG SER A 67 -0.687 10.276 2.963 1.00 0.00 H new ATOM 120 N VAL A 68 -4.451 7.439 4.556 1.00 0.00 N ATOM 121 CA VAL A 68 -5.164 6.713 5.601 1.00 0.00 C ATOM 122 C VAL A 68 -4.256 5.691 6.277 1.00 0.00 C ATOM 123 O VAL A 68 -3.517 4.965 5.611 1.00 0.00 O ATOM 124 CB VAL A 68 -6.402 5.990 5.037 1.00 0.00 C ATOM 125 CG1 VAL A 68 -7.289 6.963 4.277 1.00 0.00 C ATOM 126 CG2 VAL A 68 -5.981 4.831 4.146 1.00 0.00 C ATOM 0 H VAL A 68 -3.805 6.868 4.011 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.487 7.451 6.336 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.978 5.587 5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.158 6.434 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.619 7.756 4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.727 7.398 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.868 4.331 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.383 5.208 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.390 4.122 4.726 1.00 0.00 H new ATOM 136 N PHE A 69 -4.317 5.640 7.603 1.00 0.00 N ATOM 137 CA PHE A 69 -3.500 4.707 8.371 1.00 0.00 C ATOM 138 C PHE A 69 -4.108 3.308 8.352 1.00 0.00 C ATOM 139 O PHE A 69 -5.190 3.082 8.894 1.00 0.00 O ATOM 140 CB PHE A 69 -3.353 5.193 9.814 1.00 0.00 C ATOM 141 CG PHE A 69 -2.577 4.249 10.688 1.00 0.00 C ATOM 142 CD1 PHE A 69 -3.189 3.136 11.243 1.00 0.00 C ATOM 143 CD2 PHE A 69 -1.237 4.475 10.956 1.00 0.00 C ATOM 144 CE1 PHE A 69 -2.478 2.266 12.047 1.00 0.00 C ATOM 145 CE2 PHE A 69 -0.521 3.608 11.759 1.00 0.00 C ATOM 146 CZ PHE A 69 -1.142 2.503 12.306 1.00 0.00 C ATOM 0 H PHE A 69 -4.924 6.234 8.169 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.514 4.661 7.909 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.859 6.164 9.813 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.344 5.340 10.242 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.234 2.947 11.045 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.746 5.339 10.532 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.966 1.402 12.472 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.524 3.795 11.959 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.584 1.825 12.935 1.00 0.00 H new ATOM 156 N VAL A 70 -3.406 2.372 7.723 1.00 0.00 N ATOM 157 CA VAL A 70 -3.875 0.994 7.633 1.00 0.00 C ATOM 158 C VAL A 70 -3.038 0.070 8.510 1.00 0.00 C ATOM 159 O VAL A 70 -1.809 0.110 8.475 1.00 0.00 O ATOM 160 CB VAL A 70 -3.835 0.481 6.181 1.00 0.00 C ATOM 161 CG1 VAL A 70 -4.209 -0.992 6.125 1.00 0.00 C ATOM 162 CG2 VAL A 70 -4.758 1.308 5.299 1.00 0.00 C ATOM 0 H VAL A 70 -2.509 2.542 7.268 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.907 0.987 7.985 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.818 0.587 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.175 -1.337 5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.504 -1.569 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.216 -1.127 6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.718 0.932 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.780 1.235 5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.439 2.350 5.315 1.00 0.00 H new ATOM 172 N SER A 71 -3.714 -0.762 9.296 1.00 0.00 N ATOM 173 CA SER A 71 -3.033 -1.695 10.186 1.00 0.00 C ATOM 174 C SER A 71 -3.947 -2.859 10.557 1.00 0.00 C ATOM 175 O SER A 71 -5.132 -2.861 10.227 1.00 0.00 O ATOM 176 CB SER A 71 -2.565 -0.976 11.452 1.00 0.00 C ATOM 177 OG SER A 71 -3.636 -0.798 12.363 1.00 0.00 O ATOM 0 H SER A 71 -4.732 -0.809 9.335 1.00 0.00 H new ATOM 0 HA SER A 71 -2.165 -2.092 9.660 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.770 -1.551 11.928 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.143 -0.006 11.188 1.00 0.00 H new ATOM 0 HG SER A 71 -3.285 -0.485 13.223 1.00 0.00 H new ATOM 183 N GLY A 72 -3.387 -3.848 11.246 1.00 0.00 N ATOM 184 CA GLY A 72 -4.165 -5.004 11.650 1.00 0.00 C ATOM 185 C GLY A 72 -4.275 -6.043 10.551 1.00 0.00 C ATOM 186 O GLY A 72 -5.197 -6.858 10.548 1.00 0.00 O ATOM 0 H GLY A 72 -2.408 -3.869 11.532 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.707 -5.457 12.529 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.164 -4.681 11.942 1.00 0.00 H new ATOM 190 N PHE A 73 -3.333 -6.012 9.615 1.00 0.00 N ATOM 191 CA PHE A 73 -3.329 -6.957 8.504 1.00 0.00 C ATOM 192 C PHE A 73 -2.588 -8.236 8.879 1.00 0.00 C ATOM 193 O PHE A 73 -1.737 -8.252 9.769 1.00 0.00 O ATOM 194 CB PHE A 73 -2.683 -6.323 7.270 1.00 0.00 C ATOM 195 CG PHE A 73 -1.477 -5.487 7.588 1.00 0.00 C ATOM 196 CD1 PHE A 73 -0.213 -6.055 7.624 1.00 0.00 C ATOM 197 CD2 PHE A 73 -1.606 -4.133 7.852 1.00 0.00 C ATOM 198 CE1 PHE A 73 0.898 -5.288 7.918 1.00 0.00 C ATOM 199 CE2 PHE A 73 -0.498 -3.360 8.145 1.00 0.00 C ATOM 200 CZ PHE A 73 0.756 -3.939 8.177 1.00 0.00 C ATOM 0 H PHE A 73 -2.563 -5.343 9.603 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.363 -7.212 8.274 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.395 -7.112 6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.421 -5.703 6.761 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.095 -7.109 7.420 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.584 -3.676 7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.877 -5.743 7.945 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.612 -2.306 8.348 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.624 -3.338 8.404 1.00 0.00 H new ATOM 210 N PRO A 74 -2.918 -9.336 8.186 1.00 0.00 N ATOM 211 CA PRO A 74 -2.296 -10.641 8.429 1.00 0.00 C ATOM 212 C PRO A 74 -0.897 -10.737 7.831 1.00 0.00 C ATOM 213 O PRO A 74 -0.609 -10.128 6.800 1.00 0.00 O ATOM 214 CB PRO A 74 -3.243 -11.621 7.731 1.00 0.00 C ATOM 215 CG PRO A 74 -3.873 -10.826 6.640 1.00 0.00 C ATOM 216 CD PRO A 74 -3.924 -9.390 7.112 1.00 0.00 C ATOM 0 HA PRO A 74 -2.165 -10.837 9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.702 -12.480 7.334 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.992 -12.008 8.422 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.295 -10.909 5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.875 -11.196 6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.686 -8.696 6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.915 -9.125 7.479 1.00 0.00 H new ATOM 224 N ARG A 75 -0.030 -11.504 8.485 1.00 0.00 N ATOM 225 CA ARG A 75 1.340 -11.678 8.017 1.00 0.00 C ATOM 226 C ARG A 75 1.363 -12.228 6.595 1.00 0.00 C ATOM 227 O ARG A 75 0.606 -13.137 6.257 1.00 0.00 O ATOM 228 CB ARG A 75 2.104 -12.617 8.952 1.00 0.00 C ATOM 229 CG ARG A 75 1.728 -14.080 8.786 1.00 0.00 C ATOM 230 CD ARG A 75 2.471 -14.963 9.777 1.00 0.00 C ATOM 231 NE ARG A 75 1.902 -16.306 9.847 1.00 0.00 N ATOM 232 CZ ARG A 75 2.414 -17.283 10.588 1.00 0.00 C ATOM 233 NH1 ARG A 75 3.499 -17.067 11.318 1.00 0.00 N ATOM 234 NH2 ARG A 75 1.840 -18.479 10.599 1.00 0.00 N ATOM 0 H ARG A 75 -0.252 -12.014 9.340 1.00 0.00 H new ATOM 0 HA ARG A 75 1.825 -10.702 8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.173 -12.503 8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.919 -12.318 9.984 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.654 -14.199 8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.954 -14.402 7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.520 -15.028 9.489 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.440 -14.504 10.765 1.00 0.00 H new ATOM 0 HE ARG A 75 1.066 -16.505 9.297 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.943 -16.149 11.312 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.890 -17.819 11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.005 -18.649 10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.234 -19.228 11.168 1.00 0.00 H new ATOM 248 N GLY A 76 2.238 -11.670 5.764 1.00 0.00 N ATOM 249 CA GLY A 76 2.344 -12.117 4.387 1.00 0.00 C ATOM 250 C GLY A 76 1.881 -11.065 3.399 1.00 0.00 C ATOM 251 O GLY A 76 2.323 -11.044 2.250 1.00 0.00 O ATOM 0 H GLY A 76 2.876 -10.916 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.379 -12.382 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.750 -13.021 4.255 1.00 0.00 H new ATOM 255 N VAL A 77 0.986 -10.188 3.845 1.00 0.00 N ATOM 256 CA VAL A 77 0.462 -9.129 2.991 1.00 0.00 C ATOM 257 C VAL A 77 1.548 -8.118 2.641 1.00 0.00 C ATOM 258 O VAL A 77 2.200 -7.561 3.525 1.00 0.00 O ATOM 259 CB VAL A 77 -0.711 -8.393 3.666 1.00 0.00 C ATOM 260 CG1 VAL A 77 -1.239 -7.289 2.763 1.00 0.00 C ATOM 261 CG2 VAL A 77 -1.816 -9.373 4.027 1.00 0.00 C ATOM 0 H VAL A 77 0.609 -10.191 4.793 1.00 0.00 H new ATOM 0 HA VAL A 77 0.105 -9.605 2.078 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.349 -7.934 4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.067 -6.780 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.443 -6.573 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.586 -7.721 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.637 -8.837 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.178 -9.862 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.426 -10.124 4.714 1.00 0.00 H new ATOM 271 N ASP A 78 1.737 -7.885 1.347 1.00 0.00 N ATOM 272 CA ASP A 78 2.744 -6.939 0.880 1.00 0.00 C ATOM 273 C ASP A 78 2.102 -5.611 0.490 1.00 0.00 C ATOM 274 O ASP A 78 0.896 -5.423 0.649 1.00 0.00 O ATOM 275 CB ASP A 78 3.506 -7.520 -0.312 1.00 0.00 C ATOM 276 CG ASP A 78 4.540 -8.547 0.107 1.00 0.00 C ATOM 277 OD1 ASP A 78 5.216 -8.324 1.133 1.00 0.00 O ATOM 278 OD2 ASP A 78 4.671 -9.575 -0.590 1.00 0.00 O ATOM 0 H ASP A 78 1.206 -8.338 0.603 1.00 0.00 H new ATOM 0 HA ASP A 78 3.444 -6.758 1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.799 -7.981 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.999 -6.712 -0.853 1.00 0.00 H new ATOM 283 N SER A 79 2.916 -4.693 -0.021 1.00 0.00 N ATOM 284 CA SER A 79 2.429 -3.381 -0.429 1.00 0.00 C ATOM 285 C SER A 79 1.761 -3.451 -1.799 1.00 0.00 C ATOM 286 O SER A 79 1.163 -2.480 -2.261 1.00 0.00 O ATOM 287 CB SER A 79 3.580 -2.373 -0.462 1.00 0.00 C ATOM 288 OG SER A 79 4.795 -2.999 -0.836 1.00 0.00 O ATOM 0 H SER A 79 3.916 -4.834 -0.162 1.00 0.00 H new ATOM 0 HA SER A 79 1.689 -3.053 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.347 -1.574 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.692 -1.912 0.519 1.00 0.00 H new ATOM 0 HG SER A 79 5.515 -2.334 -0.851 1.00 0.00 H new ATOM 294 N ALA A 80 1.868 -4.609 -2.444 1.00 0.00 N ATOM 295 CA ALA A 80 1.274 -4.808 -3.760 1.00 0.00 C ATOM 296 C ALA A 80 -0.190 -5.219 -3.644 1.00 0.00 C ATOM 297 O ALA A 80 -1.054 -4.666 -4.323 1.00 0.00 O ATOM 298 CB ALA A 80 2.058 -5.852 -4.540 1.00 0.00 C ATOM 0 H ALA A 80 2.361 -5.423 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 80 1.317 -3.861 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.603 -5.991 -5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.088 -5.518 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.045 -6.797 -3.997 1.00 0.00 H new ATOM 304 N GLN A 81 -0.460 -6.193 -2.781 1.00 0.00 N ATOM 305 CA GLN A 81 -1.820 -6.679 -2.579 1.00 0.00 C ATOM 306 C GLN A 81 -2.701 -5.593 -1.972 1.00 0.00 C ATOM 307 O GLN A 81 -3.846 -5.404 -2.385 1.00 0.00 O ATOM 308 CB GLN A 81 -1.814 -7.912 -1.674 1.00 0.00 C ATOM 309 CG GLN A 81 -1.292 -9.166 -2.357 1.00 0.00 C ATOM 310 CD GLN A 81 -1.336 -10.384 -1.455 1.00 0.00 C ATOM 311 OE1 GLN A 81 -0.308 -11.000 -1.175 1.00 0.00 O ATOM 312 NE2 GLN A 81 -2.530 -10.736 -0.994 1.00 0.00 N ATOM 0 H GLN A 81 0.244 -6.661 -2.211 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.230 -6.953 -3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.202 -7.705 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.828 -8.097 -1.319 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.883 -9.360 -3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.266 -8.997 -2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.356 -10.196 -1.252 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.622 -11.547 -0.382 1.00 0.00 H new ATOM 321 N LEU A 82 -2.161 -4.880 -0.989 1.00 0.00 N ATOM 322 CA LEU A 82 -2.899 -3.811 -0.325 1.00 0.00 C ATOM 323 C LEU A 82 -3.329 -2.743 -1.324 1.00 0.00 C ATOM 324 O LEU A 82 -4.502 -2.377 -1.391 1.00 0.00 O ATOM 325 CB LEU A 82 -2.042 -3.182 0.776 1.00 0.00 C ATOM 326 CG LEU A 82 -1.864 -4.013 2.046 1.00 0.00 C ATOM 327 CD1 LEU A 82 -0.682 -3.504 2.856 1.00 0.00 C ATOM 328 CD2 LEU A 82 -3.136 -3.989 2.882 1.00 0.00 C ATOM 0 H LEU A 82 -1.215 -5.023 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.794 -4.244 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.056 -2.970 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.485 -2.225 1.051 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.662 -5.044 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.571 -4.108 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.226 -3.574 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.853 -2.464 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.991 -4.586 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.368 -2.961 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.961 -4.402 2.302 1.00 0.00 H new ATOM 340 N SER A 83 -2.371 -2.248 -2.102 1.00 0.00 N ATOM 341 CA SER A 83 -2.651 -1.220 -3.098 1.00 0.00 C ATOM 342 C SER A 83 -3.741 -1.679 -4.062 1.00 0.00 C ATOM 343 O SER A 83 -4.777 -1.030 -4.197 1.00 0.00 O ATOM 344 CB SER A 83 -1.379 -0.874 -3.876 1.00 0.00 C ATOM 345 OG SER A 83 -0.929 -1.983 -4.635 1.00 0.00 O ATOM 0 H SER A 83 -1.395 -2.542 -2.062 1.00 0.00 H new ATOM 0 HA SER A 83 -3.003 -0.330 -2.576 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.572 -0.030 -4.538 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.598 -0.563 -3.182 1.00 0.00 H new ATOM 0 HG SER A 83 -1.041 -2.804 -4.112 1.00 0.00 H new ATOM 351 N GLU A 84 -3.497 -2.803 -4.729 1.00 0.00 N ATOM 352 CA GLU A 84 -4.457 -3.349 -5.681 1.00 0.00 C ATOM 353 C GLU A 84 -5.850 -3.431 -5.062 1.00 0.00 C ATOM 354 O GLU A 84 -6.842 -3.052 -5.687 1.00 0.00 O ATOM 355 CB GLU A 84 -4.013 -4.736 -6.149 1.00 0.00 C ATOM 356 CG GLU A 84 -4.487 -5.087 -7.549 1.00 0.00 C ATOM 357 CD GLU A 84 -4.673 -6.579 -7.746 1.00 0.00 C ATOM 358 OE1 GLU A 84 -3.656 -7.290 -7.886 1.00 0.00 O ATOM 359 OE2 GLU A 84 -5.835 -7.035 -7.759 1.00 0.00 O ATOM 0 H GLU A 84 -2.644 -3.353 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.498 -2.680 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.925 -4.789 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.388 -5.483 -5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.430 -4.578 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.765 -4.716 -8.277 1.00 0.00 H new ATOM 366 N TYR A 85 -5.916 -3.928 -3.832 1.00 0.00 N ATOM 367 CA TYR A 85 -7.186 -4.063 -3.130 1.00 0.00 C ATOM 368 C TYR A 85 -7.806 -2.696 -2.857 1.00 0.00 C ATOM 369 O TYR A 85 -9.021 -2.571 -2.702 1.00 0.00 O ATOM 370 CB TYR A 85 -6.988 -4.817 -1.814 1.00 0.00 C ATOM 371 CG TYR A 85 -8.102 -4.598 -0.816 1.00 0.00 C ATOM 372 CD1 TYR A 85 -9.427 -4.837 -1.161 1.00 0.00 C ATOM 373 CD2 TYR A 85 -7.830 -4.153 0.472 1.00 0.00 C ATOM 374 CE1 TYR A 85 -10.448 -4.637 -0.252 1.00 0.00 C ATOM 375 CE2 TYR A 85 -8.845 -3.952 1.387 1.00 0.00 C ATOM 376 CZ TYR A 85 -10.153 -4.195 1.020 1.00 0.00 C ATOM 377 OH TYR A 85 -11.167 -3.996 1.929 1.00 0.00 O ATOM 0 H TYR A 85 -5.105 -4.244 -3.301 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.865 -4.629 -3.767 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.905 -5.883 -2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.044 -4.507 -1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.662 -5.185 -2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.808 -3.961 0.763 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.473 -4.826 -0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.616 -3.607 2.384 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.789 -3.685 2.778 1.00 0.00 H new ATOM 387 N PHE A 86 -6.961 -1.672 -2.799 1.00 0.00 N ATOM 388 CA PHE A 86 -7.424 -0.312 -2.544 1.00 0.00 C ATOM 389 C PHE A 86 -7.701 0.422 -3.853 1.00 0.00 C ATOM 390 O PHE A 86 -8.074 1.596 -3.852 1.00 0.00 O ATOM 391 CB PHE A 86 -6.386 0.457 -1.725 1.00 0.00 C ATOM 392 CG PHE A 86 -6.417 0.130 -0.259 1.00 0.00 C ATOM 393 CD1 PHE A 86 -7.616 0.111 0.435 1.00 0.00 C ATOM 394 CD2 PHE A 86 -5.247 -0.157 0.425 1.00 0.00 C ATOM 395 CE1 PHE A 86 -7.648 -0.190 1.784 1.00 0.00 C ATOM 396 CE2 PHE A 86 -5.273 -0.460 1.773 1.00 0.00 C ATOM 397 CZ PHE A 86 -6.475 -0.475 2.454 1.00 0.00 C ATOM 0 H PHE A 86 -5.952 -1.758 -2.925 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.353 -0.371 -1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.392 0.240 -2.117 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.553 1.526 -1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.537 0.334 -0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.304 -0.144 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -8.589 -0.202 2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.354 -0.685 2.294 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.497 -0.709 3.508 1.00 0.00 H new ATOM 407 N LEU A 87 -7.517 -0.278 -4.967 1.00 0.00 N ATOM 408 CA LEU A 87 -7.747 0.307 -6.284 1.00 0.00 C ATOM 409 C LEU A 87 -9.227 0.262 -6.649 1.00 0.00 C ATOM 410 O LEU A 87 -9.669 0.942 -7.574 1.00 0.00 O ATOM 411 CB LEU A 87 -6.926 -0.433 -7.342 1.00 0.00 C ATOM 412 CG LEU A 87 -5.412 -0.237 -7.275 1.00 0.00 C ATOM 413 CD1 LEU A 87 -4.739 -0.855 -8.492 1.00 0.00 C ATOM 414 CD2 LEU A 87 -5.070 1.242 -7.168 1.00 0.00 C ATOM 0 H LEU A 87 -7.210 -1.250 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.432 1.350 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.138 -1.499 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.270 -0.116 -8.327 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.039 -0.741 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.661 -0.706 -8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.956 -1.923 -8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.117 -0.380 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.988 1.363 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.457 1.769 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.520 1.655 -6.266 1.00 0.00 H new ATOM 426 N ALA A 88 -9.989 -0.541 -5.913 1.00 0.00 N ATOM 427 CA ALA A 88 -11.420 -0.671 -6.156 1.00 0.00 C ATOM 428 C ALA A 88 -12.168 0.581 -5.711 1.00 0.00 C ATOM 429 O ALA A 88 -13.386 0.675 -5.861 1.00 0.00 O ATOM 430 CB ALA A 88 -11.967 -1.898 -5.442 1.00 0.00 C ATOM 0 H ALA A 88 -9.639 -1.111 -5.143 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.572 -0.791 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.037 -1.983 -5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.461 -2.790 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.796 -1.802 -4.370 1.00 0.00 H new ATOM 436 N PHE A 89 -11.432 1.541 -5.160 1.00 0.00 N ATOM 437 CA PHE A 89 -12.026 2.787 -4.691 1.00 0.00 C ATOM 438 C PHE A 89 -11.316 3.992 -5.300 1.00 0.00 C ATOM 439 O PHE A 89 -11.943 5.003 -5.613 1.00 0.00 O ATOM 440 CB PHE A 89 -11.964 2.862 -3.164 1.00 0.00 C ATOM 441 CG PHE A 89 -12.657 1.719 -2.479 1.00 0.00 C ATOM 442 CD1 PHE A 89 -11.980 0.539 -2.216 1.00 0.00 C ATOM 443 CD2 PHE A 89 -13.985 1.825 -2.098 1.00 0.00 C ATOM 444 CE1 PHE A 89 -12.614 -0.514 -1.585 1.00 0.00 C ATOM 445 CE2 PHE A 89 -14.624 0.775 -1.466 1.00 0.00 C ATOM 446 CZ PHE A 89 -13.938 -0.397 -1.210 1.00 0.00 C ATOM 0 H PHE A 89 -10.423 1.479 -5.027 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.069 2.805 -5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -10.920 2.883 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.414 3.799 -2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.945 0.441 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.527 2.738 -2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.075 -1.428 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -15.659 0.870 -1.172 1.00 0.00 H new ATOM 0 HZ PHE A 89 -14.436 -1.219 -0.718 1.00 0.00 H new ATOM 456 N GLY A 90 -10.002 3.875 -5.466 1.00 0.00 N ATOM 457 CA GLY A 90 -9.227 4.962 -6.037 1.00 0.00 C ATOM 458 C GLY A 90 -7.780 4.579 -6.275 1.00 0.00 C ATOM 459 O GLY A 90 -7.326 3.505 -5.880 1.00 0.00 O ATOM 0 H GLY A 90 -9.460 3.048 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.678 5.269 -6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.267 5.823 -5.369 1.00 0.00 H new ATOM 463 N PRO A 91 -7.029 5.471 -6.938 1.00 0.00 N ATOM 464 CA PRO A 91 -5.614 5.243 -7.244 1.00 0.00 C ATOM 465 C PRO A 91 -4.717 5.448 -6.028 1.00 0.00 C ATOM 466 O PRO A 91 -4.766 6.491 -5.377 1.00 0.00 O ATOM 467 CB PRO A 91 -5.309 6.292 -8.316 1.00 0.00 C ATOM 468 CG PRO A 91 -6.269 7.399 -8.046 1.00 0.00 C ATOM 469 CD PRO A 91 -7.504 6.772 -7.438 1.00 0.00 C ATOM 0 HA PRO A 91 -5.427 4.218 -7.565 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.277 6.638 -8.250 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.445 5.885 -9.318 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.833 8.131 -7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.518 7.927 -8.966 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.909 7.386 -6.634 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.296 6.651 -8.177 1.00 0.00 H new ATOM 477 N VAL A 92 -3.897 4.445 -5.728 1.00 0.00 N ATOM 478 CA VAL A 92 -2.988 4.517 -4.590 1.00 0.00 C ATOM 479 C VAL A 92 -1.655 5.139 -4.991 1.00 0.00 C ATOM 480 O VAL A 92 -0.943 4.611 -5.844 1.00 0.00 O ATOM 481 CB VAL A 92 -2.730 3.122 -3.989 1.00 0.00 C ATOM 482 CG1 VAL A 92 -1.747 3.212 -2.832 1.00 0.00 C ATOM 483 CG2 VAL A 92 -4.037 2.486 -3.541 1.00 0.00 C ATOM 0 H VAL A 92 -3.844 3.574 -6.257 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.468 5.145 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.289 2.489 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.577 2.217 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.802 3.623 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.156 3.860 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.837 1.501 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.508 3.115 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.705 2.385 -4.397 1.00 0.00 H new ATOM 493 N ALA A 93 -1.323 6.265 -4.368 1.00 0.00 N ATOM 494 CA ALA A 93 -0.074 6.959 -4.657 1.00 0.00 C ATOM 495 C ALA A 93 1.129 6.122 -4.236 1.00 0.00 C ATOM 496 O ALA A 93 2.074 5.945 -5.005 1.00 0.00 O ATOM 497 CB ALA A 93 -0.048 8.312 -3.961 1.00 0.00 C ATOM 0 H ALA A 93 -1.902 6.716 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.015 7.116 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.890 8.819 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.882 8.919 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.134 8.169 -2.884 1.00 0.00 H new ATOM 503 N SER A 94 1.088 5.609 -3.011 1.00 0.00 N ATOM 504 CA SER A 94 2.178 4.794 -2.486 1.00 0.00 C ATOM 505 C SER A 94 1.762 4.098 -1.194 1.00 0.00 C ATOM 506 O SER A 94 0.852 4.548 -0.498 1.00 0.00 O ATOM 507 CB SER A 94 3.415 5.658 -2.238 1.00 0.00 C ATOM 508 OG SER A 94 4.593 4.871 -2.228 1.00 0.00 O ATOM 0 H SER A 94 0.312 5.743 -2.363 1.00 0.00 H new ATOM 0 HA SER A 94 2.419 4.032 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.490 6.421 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.314 6.179 -1.286 1.00 0.00 H new ATOM 0 HG SER A 94 5.370 5.447 -2.069 1.00 0.00 H new ATOM 514 N VAL A 95 2.435 2.996 -0.879 1.00 0.00 N ATOM 515 CA VAL A 95 2.138 2.237 0.329 1.00 0.00 C ATOM 516 C VAL A 95 3.386 2.055 1.185 1.00 0.00 C ATOM 517 O VAL A 95 4.227 1.201 0.902 1.00 0.00 O ATOM 518 CB VAL A 95 1.553 0.852 -0.007 1.00 0.00 C ATOM 519 CG1 VAL A 95 1.307 0.053 1.263 1.00 0.00 C ATOM 520 CG2 VAL A 95 0.270 0.998 -0.812 1.00 0.00 C ATOM 0 H VAL A 95 3.190 2.609 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 95 1.398 2.810 0.888 1.00 0.00 H new ATOM 0 HB VAL A 95 2.277 0.308 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.894 -0.922 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.248 -0.081 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.603 0.589 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.130 0.010 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.462 1.560 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.481 1.528 -1.741 1.00 0.00 H new ATOM 530 N VAL A 96 3.501 2.863 2.234 1.00 0.00 N ATOM 531 CA VAL A 96 4.647 2.790 3.133 1.00 0.00 C ATOM 532 C VAL A 96 4.340 1.917 4.344 1.00 0.00 C ATOM 533 O VAL A 96 3.682 2.355 5.287 1.00 0.00 O ATOM 534 CB VAL A 96 5.070 4.190 3.617 1.00 0.00 C ATOM 535 CG1 VAL A 96 6.316 4.101 4.485 1.00 0.00 C ATOM 536 CG2 VAL A 96 5.299 5.116 2.433 1.00 0.00 C ATOM 0 H VAL A 96 2.815 3.576 2.482 1.00 0.00 H new ATOM 0 HA VAL A 96 5.466 2.346 2.567 1.00 0.00 H new ATOM 0 HB VAL A 96 4.264 4.605 4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.600 5.099 4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.111 3.474 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.131 3.666 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.597 6.101 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.086 4.708 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.378 5.204 1.857 1.00 0.00 H new ATOM 546 N MET A 97 4.822 0.679 4.311 1.00 0.00 N ATOM 547 CA MET A 97 4.601 -0.257 5.408 1.00 0.00 C ATOM 548 C MET A 97 5.922 -0.651 6.061 1.00 0.00 C ATOM 549 O MET A 97 6.908 -0.920 5.375 1.00 0.00 O ATOM 550 CB MET A 97 3.876 -1.506 4.902 1.00 0.00 C ATOM 551 CG MET A 97 4.698 -2.333 3.928 1.00 0.00 C ATOM 552 SD MET A 97 3.688 -3.467 2.955 1.00 0.00 S ATOM 553 CE MET A 97 3.181 -4.635 4.216 1.00 0.00 C ATOM 0 H MET A 97 5.368 0.300 3.537 1.00 0.00 H new ATOM 0 HA MET A 97 3.980 0.237 6.155 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.604 -2.128 5.754 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.947 -1.206 4.417 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.238 -1.666 3.256 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.446 -2.902 4.481 1.00 0.00 H new ATOM 0 HE1 MET A 97 3.664 -5.596 4.037 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.472 -4.260 5.197 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.099 -4.761 4.181 1.00 0.00 H new ATOM 563 N ASP A 98 5.933 -0.683 7.389 1.00 0.00 N ATOM 564 CA ASP A 98 7.133 -1.045 8.135 1.00 0.00 C ATOM 565 C ASP A 98 7.583 -2.461 7.786 1.00 0.00 C ATOM 566 O ASP A 98 6.759 -3.353 7.581 1.00 0.00 O ATOM 567 CB ASP A 98 6.878 -0.933 9.639 1.00 0.00 C ATOM 568 CG ASP A 98 8.156 -0.734 10.429 1.00 0.00 C ATOM 569 OD1 ASP A 98 8.848 0.277 10.192 1.00 0.00 O ATOM 570 OD2 ASP A 98 8.463 -1.590 11.286 1.00 0.00 O ATOM 0 H ASP A 98 5.125 -0.463 7.971 1.00 0.00 H new ATOM 0 HA ASP A 98 7.927 -0.352 7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.203 -0.098 9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.375 -1.835 9.988 1.00 0.00 H new ATOM 575 N LYS A 99 8.895 -2.659 7.720 1.00 0.00 N ATOM 576 CA LYS A 99 9.456 -3.966 7.397 1.00 0.00 C ATOM 577 C LYS A 99 10.027 -4.636 8.642 1.00 0.00 C ATOM 578 O LYS A 99 9.678 -5.773 8.962 1.00 0.00 O ATOM 579 CB LYS A 99 10.548 -3.826 6.334 1.00 0.00 C ATOM 580 CG LYS A 99 11.142 -5.153 5.894 1.00 0.00 C ATOM 581 CD LYS A 99 10.284 -5.823 4.834 1.00 0.00 C ATOM 582 CE LYS A 99 10.868 -7.162 4.410 1.00 0.00 C ATOM 583 NZ LYS A 99 10.627 -8.220 5.430 1.00 0.00 N ATOM 0 H LYS A 99 9.590 -1.931 7.886 1.00 0.00 H new ATOM 0 HA LYS A 99 8.654 -4.591 7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 99 10.133 -3.317 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.344 -3.193 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 99 12.146 -4.991 5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 99 11.239 -5.813 6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.275 -5.970 5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.200 -5.170 3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.428 -7.466 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.940 -7.055 4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.040 -9.117 5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.069 -7.942 6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.604 -8.341 5.570 1.00 0.00 H new ATOM 597 N ASP A 100 10.904 -3.925 9.342 1.00 0.00 N ATOM 598 CA ASP A 100 11.521 -4.451 10.554 1.00 0.00 C ATOM 599 C ASP A 100 10.484 -5.137 11.438 1.00 0.00 C ATOM 600 O ASP A 100 10.681 -6.269 11.881 1.00 0.00 O ATOM 601 CB ASP A 100 12.208 -3.327 11.331 1.00 0.00 C ATOM 602 CG ASP A 100 12.558 -3.733 12.749 1.00 0.00 C ATOM 603 OD1 ASP A 100 13.293 -4.728 12.917 1.00 0.00 O ATOM 604 OD2 ASP A 100 12.096 -3.055 13.692 1.00 0.00 O ATOM 0 H ASP A 100 11.204 -2.983 9.091 1.00 0.00 H new ATOM 0 HA ASP A 100 12.268 -5.189 10.261 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.116 -3.029 10.807 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.555 -2.455 11.357 1.00 0.00 H new ATOM 609 N LYS A 101 9.379 -4.444 11.692 1.00 0.00 N ATOM 610 CA LYS A 101 8.310 -4.985 12.523 1.00 0.00 C ATOM 611 C LYS A 101 7.087 -5.329 11.680 1.00 0.00 C ATOM 612 O LYS A 101 6.558 -6.437 11.759 1.00 0.00 O ATOM 613 CB LYS A 101 7.926 -3.982 13.613 1.00 0.00 C ATOM 614 CG LYS A 101 9.069 -3.634 14.550 1.00 0.00 C ATOM 615 CD LYS A 101 8.562 -3.245 15.929 1.00 0.00 C ATOM 616 CE LYS A 101 9.534 -2.316 16.639 1.00 0.00 C ATOM 617 NZ LYS A 101 10.599 -3.072 17.356 1.00 0.00 N ATOM 0 H LYS A 101 9.200 -3.506 11.334 1.00 0.00 H new ATOM 0 HA LYS A 101 8.675 -5.899 12.991 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.562 -3.069 13.142 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.101 -4.390 14.196 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.742 -4.487 14.636 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.648 -2.812 14.129 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.592 -2.757 15.837 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.411 -4.143 16.529 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.991 -1.645 15.912 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.989 -1.694 17.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.242 -2.404 17.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.164 -3.694 18.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.135 -3.646 16.675 1.00 0.00 H new ATOM 631 N GLY A 102 6.643 -4.372 10.870 1.00 0.00 N ATOM 632 CA GLY A 102 5.486 -4.594 10.023 1.00 0.00 C ATOM 633 C GLY A 102 4.191 -4.640 10.810 1.00 0.00 C ATOM 634 O GLY A 102 3.563 -5.693 10.925 1.00 0.00 O ATOM 0 H GLY A 102 7.064 -3.447 10.786 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.427 -3.800 9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.611 -5.531 9.480 1.00 0.00 H new ATOM 638 N VAL A 103 3.791 -3.496 11.355 1.00 0.00 N ATOM 639 CA VAL A 103 2.562 -3.410 12.136 1.00 0.00 C ATOM 640 C VAL A 103 1.640 -2.325 11.592 1.00 0.00 C ATOM 641 O VAL A 103 0.418 -2.413 11.717 1.00 0.00 O ATOM 642 CB VAL A 103 2.859 -3.119 13.619 1.00 0.00 C ATOM 643 CG1 VAL A 103 3.504 -4.327 14.281 1.00 0.00 C ATOM 644 CG2 VAL A 103 3.746 -1.891 13.753 1.00 0.00 C ATOM 0 H VAL A 103 4.300 -2.616 11.270 1.00 0.00 H new ATOM 0 HA VAL A 103 2.067 -4.378 12.055 1.00 0.00 H new ATOM 0 HB VAL A 103 1.917 -2.916 14.128 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.707 -4.103 15.328 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.829 -5.181 14.216 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.439 -4.564 13.773 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.946 -1.700 14.807 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.687 -2.063 13.231 1.00 0.00 H new ATOM 0 HG23 VAL A 103 3.242 -1.029 13.317 1.00 0.00 H new ATOM 654 N PHE A 104 2.233 -1.301 10.986 1.00 0.00 N ATOM 655 CA PHE A 104 1.464 -0.197 10.422 1.00 0.00 C ATOM 656 C PHE A 104 1.940 0.131 9.010 1.00 0.00 C ATOM 657 O PHE A 104 3.077 -0.162 8.643 1.00 0.00 O ATOM 658 CB PHE A 104 1.582 1.041 11.313 1.00 0.00 C ATOM 659 CG PHE A 104 2.912 1.731 11.209 1.00 0.00 C ATOM 660 CD1 PHE A 104 3.189 2.573 10.144 1.00 0.00 C ATOM 661 CD2 PHE A 104 3.886 1.536 12.175 1.00 0.00 C ATOM 662 CE1 PHE A 104 4.412 3.209 10.045 1.00 0.00 C ATOM 663 CE2 PHE A 104 5.111 2.169 12.081 1.00 0.00 C ATOM 664 CZ PHE A 104 5.375 3.006 11.014 1.00 0.00 C ATOM 0 H PHE A 104 3.243 -1.213 10.873 1.00 0.00 H new ATOM 0 HA PHE A 104 0.419 -0.502 10.372 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.794 1.746 11.047 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.413 0.750 12.350 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.440 2.734 9.382 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.686 0.882 13.011 1.00 0.00 H new ATOM 0 HE1 PHE A 104 4.615 3.864 9.211 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.861 2.009 12.841 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.332 3.500 10.938 1.00 0.00 H new ATOM 674 N ALA A 105 1.060 0.741 8.223 1.00 0.00 N ATOM 675 CA ALA A 105 1.389 1.110 6.852 1.00 0.00 C ATOM 676 C ALA A 105 0.581 2.322 6.401 1.00 0.00 C ATOM 677 O ALA A 105 -0.649 2.317 6.460 1.00 0.00 O ATOM 678 CB ALA A 105 1.148 -0.065 5.916 1.00 0.00 C ATOM 0 H ALA A 105 0.114 0.990 8.511 1.00 0.00 H new ATOM 0 HA ALA A 105 2.445 1.377 6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.398 0.225 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.774 -0.905 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.099 -0.359 5.963 1.00 0.00 H new ATOM 684 N ILE A 106 1.280 3.359 5.952 1.00 0.00 N ATOM 685 CA ILE A 106 0.626 4.578 5.491 1.00 0.00 C ATOM 686 C ILE A 106 0.137 4.430 4.054 1.00 0.00 C ATOM 687 O ILE A 106 0.931 4.427 3.113 1.00 0.00 O ATOM 688 CB ILE A 106 1.572 5.791 5.576 1.00 0.00 C ATOM 689 CG1 ILE A 106 2.204 5.875 6.967 1.00 0.00 C ATOM 690 CG2 ILE A 106 0.819 7.073 5.252 1.00 0.00 C ATOM 691 CD1 ILE A 106 1.239 6.323 8.043 1.00 0.00 C ATOM 0 H ILE A 106 2.298 3.380 5.898 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.228 4.746 6.148 1.00 0.00 H new ATOM 0 HB ILE A 106 2.368 5.665 4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.606 4.898 7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.045 6.567 6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.500 7.921 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.411 7.010 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 106 0.005 7.207 5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.755 6.360 9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.856 7.314 7.799 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.410 5.618 8.104 1.00 0.00 H new ATOM 703 N VAL A 107 -1.177 4.308 3.891 1.00 0.00 N ATOM 704 CA VAL A 107 -1.773 4.162 2.569 1.00 0.00 C ATOM 705 C VAL A 107 -2.139 5.519 1.978 1.00 0.00 C ATOM 706 O VAL A 107 -3.108 6.149 2.400 1.00 0.00 O ATOM 707 CB VAL A 107 -3.034 3.279 2.617 1.00 0.00 C ATOM 708 CG1 VAL A 107 -3.812 3.388 1.314 1.00 0.00 C ATOM 709 CG2 VAL A 107 -2.661 1.832 2.904 1.00 0.00 C ATOM 0 H VAL A 107 -1.849 4.307 4.659 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.026 3.683 1.936 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.673 3.633 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.700 2.757 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.112 4.424 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.183 3.061 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.564 1.223 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.001 1.464 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.150 1.772 3.865 1.00 0.00 H new ATOM 719 N GLU A 108 -1.356 5.963 1.000 1.00 0.00 N ATOM 720 CA GLU A 108 -1.598 7.246 0.351 1.00 0.00 C ATOM 721 C GLU A 108 -2.477 7.074 -0.884 1.00 0.00 C ATOM 722 O GLU A 108 -2.322 6.116 -1.641 1.00 0.00 O ATOM 723 CB GLU A 108 -0.272 7.903 -0.040 1.00 0.00 C ATOM 724 CG GLU A 108 -0.434 9.287 -0.644 1.00 0.00 C ATOM 725 CD GLU A 108 0.859 9.824 -1.227 1.00 0.00 C ATOM 726 OE1 GLU A 108 1.929 9.563 -0.640 1.00 0.00 O ATOM 727 OE2 GLU A 108 0.800 10.505 -2.272 1.00 0.00 O ATOM 0 H GLU A 108 -0.549 5.453 0.640 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.119 7.890 1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.363 7.973 0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.245 7.262 -0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.193 9.252 -1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.796 9.973 0.122 1.00 0.00 H new ATOM 734 N MET A 109 -3.400 8.010 -1.081 1.00 0.00 N ATOM 735 CA MET A 109 -4.304 7.962 -2.224 1.00 0.00 C ATOM 736 C MET A 109 -3.952 9.045 -3.240 1.00 0.00 C ATOM 737 O MET A 109 -3.079 9.877 -2.998 1.00 0.00 O ATOM 738 CB MET A 109 -5.753 8.130 -1.764 1.00 0.00 C ATOM 739 CG MET A 109 -6.175 7.124 -0.706 1.00 0.00 C ATOM 740 SD MET A 109 -5.941 5.417 -1.239 1.00 0.00 S ATOM 741 CE MET A 109 -7.479 5.120 -2.107 1.00 0.00 C ATOM 0 H MET A 109 -3.541 8.810 -0.464 1.00 0.00 H new ATOM 0 HA MET A 109 -4.194 6.989 -2.702 1.00 0.00 H new ATOM 0 HB2 MET A 109 -5.886 9.137 -1.369 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.413 8.036 -2.627 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.602 7.298 0.205 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.224 7.282 -0.457 1.00 0.00 H new ATOM 0 HE1 MET A 109 -7.787 4.085 -1.957 1.00 0.00 H new ATOM 0 HE2 MET A 109 -8.249 5.788 -1.721 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.338 5.306 -3.172 1.00 0.00 H new ATOM 751 N GLY A 110 -4.638 9.027 -4.379 1.00 0.00 N ATOM 752 CA GLY A 110 -4.383 10.012 -5.414 1.00 0.00 C ATOM 753 C GLY A 110 -5.200 11.274 -5.227 1.00 0.00 C ATOM 754 O GLY A 110 -4.647 12.365 -5.087 1.00 0.00 O ATOM 0 H GLY A 110 -5.365 8.348 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.323 10.266 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -4.609 9.578 -6.388 1.00 0.00 H new ATOM 758 N ASP A 111 -6.521 11.128 -5.226 1.00 0.00 N ATOM 759 CA ASP A 111 -7.416 12.266 -5.056 1.00 0.00 C ATOM 760 C ASP A 111 -8.115 12.210 -3.701 1.00 0.00 C ATOM 761 O ASP A 111 -8.109 11.177 -3.030 1.00 0.00 O ATOM 762 CB ASP A 111 -8.454 12.298 -6.178 1.00 0.00 C ATOM 763 CG ASP A 111 -7.887 12.838 -7.476 1.00 0.00 C ATOM 764 OD1 ASP A 111 -7.945 14.069 -7.683 1.00 0.00 O ATOM 765 OD2 ASP A 111 -7.385 12.031 -8.285 1.00 0.00 O ATOM 0 H ASP A 111 -6.995 10.232 -5.341 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.818 13.176 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.837 11.291 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.299 12.914 -5.870 1.00 0.00 H new ATOM 770 N VAL A 112 -8.716 13.327 -3.304 1.00 0.00 N ATOM 771 CA VAL A 112 -9.420 13.404 -2.029 1.00 0.00 C ATOM 772 C VAL A 112 -10.679 12.545 -2.043 1.00 0.00 C ATOM 773 O VAL A 112 -11.195 12.165 -0.993 1.00 0.00 O ATOM 774 CB VAL A 112 -9.807 14.856 -1.689 1.00 0.00 C ATOM 775 CG1 VAL A 112 -10.832 15.382 -2.682 1.00 0.00 C ATOM 776 CG2 VAL A 112 -10.336 14.947 -0.266 1.00 0.00 C ATOM 0 H VAL A 112 -8.730 14.191 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.737 13.029 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.915 15.478 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -11.093 16.409 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -10.412 15.355 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.726 14.760 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.604 15.980 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.217 14.313 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.566 14.614 0.430 1.00 0.00 H new ATOM 786 N GLY A 113 -11.168 12.240 -3.241 1.00 0.00 N ATOM 787 CA GLY A 113 -12.363 11.426 -3.370 1.00 0.00 C ATOM 788 C GLY A 113 -12.113 9.971 -3.026 1.00 0.00 C ATOM 789 O GLY A 113 -12.914 9.343 -2.335 1.00 0.00 O ATOM 0 H GLY A 113 -10.758 12.542 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.141 11.822 -2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.738 11.496 -4.391 1.00 0.00 H new ATOM 793 N ALA A 114 -10.999 9.433 -3.512 1.00 0.00 N ATOM 794 CA ALA A 114 -10.646 8.043 -3.252 1.00 0.00 C ATOM 795 C ALA A 114 -10.682 7.738 -1.758 1.00 0.00 C ATOM 796 O ALA A 114 -11.285 6.753 -1.331 1.00 0.00 O ATOM 797 CB ALA A 114 -9.270 7.732 -3.823 1.00 0.00 C ATOM 0 H ALA A 114 -10.326 9.939 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.383 7.409 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.019 6.691 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.276 7.902 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.528 8.380 -3.357 1.00 0.00 H new ATOM 803 N ARG A 115 -10.031 8.587 -0.969 1.00 0.00 N ATOM 804 CA ARG A 115 -9.987 8.406 0.477 1.00 0.00 C ATOM 805 C ARG A 115 -11.395 8.392 1.066 1.00 0.00 C ATOM 806 O ARG A 115 -11.749 7.495 1.830 1.00 0.00 O ATOM 807 CB ARG A 115 -9.162 9.518 1.126 1.00 0.00 C ATOM 808 CG ARG A 115 -9.070 9.404 2.639 1.00 0.00 C ATOM 809 CD ARG A 115 -8.907 10.767 3.292 1.00 0.00 C ATOM 810 NE ARG A 115 -8.445 10.661 4.673 1.00 0.00 N ATOM 811 CZ ARG A 115 -8.523 11.654 5.553 1.00 0.00 C ATOM 812 NH1 ARG A 115 -9.042 12.821 5.196 1.00 0.00 N ATOM 813 NH2 ARG A 115 -8.081 11.480 6.792 1.00 0.00 N ATOM 0 H ARG A 115 -9.527 9.407 -1.307 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.516 7.445 0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.156 9.504 0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.601 10.482 0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.968 8.920 3.024 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.226 8.768 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -8.197 11.362 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.859 11.297 3.268 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.040 9.776 4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -9.382 12.958 4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.101 13.582 5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.681 10.584 7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -8.141 12.243 7.467 1.00 0.00 H new ATOM 827 N GLU A 116 -12.192 9.393 0.705 1.00 0.00 N ATOM 828 CA GLU A 116 -13.560 9.496 1.199 1.00 0.00 C ATOM 829 C GLU A 116 -14.326 8.199 0.953 1.00 0.00 C ATOM 830 O GLU A 116 -15.063 7.728 1.818 1.00 0.00 O ATOM 831 CB GLU A 116 -14.282 10.664 0.526 1.00 0.00 C ATOM 832 CG GLU A 116 -13.920 12.020 1.108 1.00 0.00 C ATOM 833 CD GLU A 116 -14.608 13.166 0.390 1.00 0.00 C ATOM 834 OE1 GLU A 116 -14.625 13.159 -0.858 1.00 0.00 O ATOM 835 OE2 GLU A 116 -15.129 14.068 1.078 1.00 0.00 O ATOM 0 H GLU A 116 -11.914 10.144 0.073 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.519 9.675 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -14.047 10.660 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.358 10.515 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.191 12.042 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.840 12.158 1.053 1.00 0.00 H new ATOM 842 N ALA A 117 -14.146 7.630 -0.234 1.00 0.00 N ATOM 843 CA ALA A 117 -14.819 6.388 -0.595 1.00 0.00 C ATOM 844 C ALA A 117 -14.531 5.291 0.424 1.00 0.00 C ATOM 845 O ALA A 117 -15.438 4.583 0.863 1.00 0.00 O ATOM 846 CB ALA A 117 -14.394 5.942 -1.987 1.00 0.00 C ATOM 0 H ALA A 117 -13.540 8.009 -0.962 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.893 6.574 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -14.904 5.014 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -14.657 6.712 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -13.316 5.780 -2.004 1.00 0.00 H new ATOM 852 N VAL A 118 -13.263 5.155 0.798 1.00 0.00 N ATOM 853 CA VAL A 118 -12.855 4.144 1.767 1.00 0.00 C ATOM 854 C VAL A 118 -13.481 4.407 3.131 1.00 0.00 C ATOM 855 O VAL A 118 -14.062 3.509 3.743 1.00 0.00 O ATOM 856 CB VAL A 118 -11.323 4.097 1.918 1.00 0.00 C ATOM 857 CG1 VAL A 118 -10.917 3.022 2.914 1.00 0.00 C ATOM 858 CG2 VAL A 118 -10.662 3.862 0.568 1.00 0.00 C ATOM 0 H VAL A 118 -12.500 5.732 0.445 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.205 3.183 1.389 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.983 5.059 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.831 3.004 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -11.361 3.240 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -11.267 2.051 2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.580 3.832 0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.006 2.914 0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.926 4.672 -0.112 1.00 0.00 H new ATOM 868 N LEU A 119 -13.361 5.643 3.604 1.00 0.00 N ATOM 869 CA LEU A 119 -13.916 6.025 4.898 1.00 0.00 C ATOM 870 C LEU A 119 -15.430 5.842 4.916 1.00 0.00 C ATOM 871 O LEU A 119 -16.009 5.479 5.940 1.00 0.00 O ATOM 872 CB LEU A 119 -13.562 7.479 5.217 1.00 0.00 C ATOM 873 CG LEU A 119 -12.095 7.756 5.545 1.00 0.00 C ATOM 874 CD1 LEU A 119 -11.822 9.252 5.549 1.00 0.00 C ATOM 875 CD2 LEU A 119 -11.723 7.141 6.886 1.00 0.00 C ATOM 0 H LEU A 119 -12.884 6.398 3.111 1.00 0.00 H new ATOM 0 HA LEU A 119 -13.481 5.376 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.846 8.096 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -14.170 7.803 6.062 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.477 7.297 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.773 9.430 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.049 9.666 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.449 9.734 6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.675 7.348 7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -12.348 7.571 7.669 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.879 6.063 6.848 1.00 0.00 H new ATOM 887 N SER A 120 -16.065 6.094 3.776 1.00 0.00 N ATOM 888 CA SER A 120 -17.512 5.958 3.661 1.00 0.00 C ATOM 889 C SER A 120 -17.893 4.546 3.228 1.00 0.00 C ATOM 890 O SER A 120 -18.828 4.355 2.450 1.00 0.00 O ATOM 891 CB SER A 120 -18.063 6.976 2.660 1.00 0.00 C ATOM 892 OG SER A 120 -18.310 8.224 3.286 1.00 0.00 O ATOM 0 H SER A 120 -15.600 6.393 2.919 1.00 0.00 H new ATOM 0 HA SER A 120 -17.949 6.149 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.353 7.109 1.844 1.00 0.00 H new ATOM 0 HB3 SER A 120 -18.986 6.597 2.221 1.00 0.00 H new ATOM 0 HG SER A 120 -18.660 8.858 2.625 1.00 0.00 H new ATOM 898 N GLN A 121 -17.162 3.560 3.738 1.00 0.00 N ATOM 899 CA GLN A 121 -17.423 2.165 3.404 1.00 0.00 C ATOM 900 C GLN A 121 -18.070 1.436 4.577 1.00 0.00 C ATOM 901 O GLN A 121 -17.813 1.756 5.738 1.00 0.00 O ATOM 902 CB GLN A 121 -16.123 1.462 3.007 1.00 0.00 C ATOM 903 CG GLN A 121 -16.336 0.242 2.126 1.00 0.00 C ATOM 904 CD GLN A 121 -16.505 -1.034 2.927 1.00 0.00 C ATOM 905 OE1 GLN A 121 -15.963 -1.168 4.024 1.00 0.00 O ATOM 906 NE2 GLN A 121 -17.261 -1.980 2.381 1.00 0.00 N ATOM 0 H GLN A 121 -16.385 3.701 4.384 1.00 0.00 H new ATOM 0 HA GLN A 121 -18.113 2.143 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -15.482 2.171 2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.593 1.160 3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -17.219 0.396 1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -15.487 0.133 1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -17.691 -1.826 1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -17.411 -2.860 2.874 1.00 0.00 H new ATOM 915 N SER A 122 -18.911 0.454 4.266 1.00 0.00 N ATOM 916 CA SER A 122 -19.599 -0.317 5.295 1.00 0.00 C ATOM 917 C SER A 122 -18.609 -1.156 6.097 1.00 0.00 C ATOM 918 O SER A 122 -18.291 -0.833 7.241 1.00 0.00 O ATOM 919 CB SER A 122 -20.656 -1.223 4.661 1.00 0.00 C ATOM 920 OG SER A 122 -21.616 -0.464 3.946 1.00 0.00 O ATOM 0 H SER A 122 -19.132 0.174 3.310 1.00 0.00 H new ATOM 0 HA SER A 122 -20.089 0.382 5.972 1.00 0.00 H new ATOM 0 HB2 SER A 122 -20.175 -1.933 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 122 -21.153 -1.806 5.437 1.00 0.00 H new ATOM 0 HG SER A 122 -22.279 -1.066 3.549 1.00 0.00 H new ATOM 926 N GLN A 123 -18.127 -2.235 5.488 1.00 0.00 N ATOM 927 CA GLN A 123 -17.174 -3.121 6.145 1.00 0.00 C ATOM 928 C GLN A 123 -15.992 -3.425 5.230 1.00 0.00 C ATOM 929 O GLN A 123 -16.165 -3.660 4.034 1.00 0.00 O ATOM 930 CB GLN A 123 -17.860 -4.423 6.562 1.00 0.00 C ATOM 931 CG GLN A 123 -18.874 -4.245 7.680 1.00 0.00 C ATOM 932 CD GLN A 123 -19.461 -5.561 8.151 1.00 0.00 C ATOM 933 OE1 GLN A 123 -19.959 -6.354 7.351 1.00 0.00 O ATOM 934 NE2 GLN A 123 -19.404 -5.802 9.456 1.00 0.00 N ATOM 0 H GLN A 123 -18.381 -2.516 4.541 1.00 0.00 H new ATOM 0 HA GLN A 123 -16.800 -2.615 7.035 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -18.360 -4.855 5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -17.101 -5.138 6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -18.397 -3.743 8.521 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -19.679 -3.595 7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -18.982 -5.117 10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -19.782 -6.672 9.831 1.00 0.00 H new ATOM 943 N HIS A 124 -14.791 -3.419 5.800 1.00 0.00 N ATOM 944 CA HIS A 124 -13.581 -3.695 5.035 1.00 0.00 C ATOM 945 C HIS A 124 -13.073 -5.107 5.312 1.00 0.00 C ATOM 946 O HIS A 124 -13.200 -5.616 6.425 1.00 0.00 O ATOM 947 CB HIS A 124 -12.494 -2.674 5.374 1.00 0.00 C ATOM 948 CG HIS A 124 -12.789 -1.296 4.869 1.00 0.00 C ATOM 949 ND1 HIS A 124 -12.942 -1.001 3.531 1.00 0.00 N ATOM 950 CD2 HIS A 124 -12.960 -0.128 5.532 1.00 0.00 C ATOM 951 CE1 HIS A 124 -13.193 0.288 3.392 1.00 0.00 C ATOM 952 NE2 HIS A 124 -13.210 0.841 4.591 1.00 0.00 N ATOM 0 H HIS A 124 -14.630 -3.226 6.789 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.825 -3.617 3.976 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -12.367 -2.636 6.456 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -11.547 -3.011 4.954 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -12.909 0.015 6.601 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -13.357 0.802 2.457 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -13.381 1.827 4.787 1.00 0.00 H new ATOM 960 N SER A 125 -12.498 -5.735 4.291 1.00 0.00 N ATOM 961 CA SER A 125 -11.976 -7.090 4.423 1.00 0.00 C ATOM 962 C SER A 125 -11.042 -7.427 3.264 1.00 0.00 C ATOM 963 O SER A 125 -11.219 -6.941 2.147 1.00 0.00 O ATOM 964 CB SER A 125 -13.124 -8.099 4.478 1.00 0.00 C ATOM 965 OG SER A 125 -13.982 -7.956 3.359 1.00 0.00 O ATOM 0 H SER A 125 -12.382 -5.327 3.363 1.00 0.00 H new ATOM 0 HA SER A 125 -11.409 -7.146 5.352 1.00 0.00 H new ATOM 0 HB2 SER A 125 -12.721 -9.112 4.505 1.00 0.00 H new ATOM 0 HB3 SER A 125 -13.693 -7.958 5.397 1.00 0.00 H new ATOM 0 HG SER A 125 -14.707 -8.613 3.416 1.00 0.00 H new ATOM 971 N LEU A 126 -10.047 -8.263 3.539 1.00 0.00 N ATOM 972 CA LEU A 126 -9.083 -8.667 2.521 1.00 0.00 C ATOM 973 C LEU A 126 -8.980 -10.187 2.442 1.00 0.00 C ATOM 974 O LEU A 126 -8.178 -10.802 3.143 1.00 0.00 O ATOM 975 CB LEU A 126 -7.710 -8.066 2.823 1.00 0.00 C ATOM 976 CG LEU A 126 -6.702 -8.083 1.673 1.00 0.00 C ATOM 977 CD1 LEU A 126 -7.105 -7.087 0.596 1.00 0.00 C ATOM 978 CD2 LEU A 126 -5.302 -7.779 2.186 1.00 0.00 C ATOM 0 H LEU A 126 -9.886 -8.674 4.458 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.431 -8.294 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.850 -7.033 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.278 -8.604 3.667 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.697 -9.081 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.376 -7.113 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.089 -7.349 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.139 -6.084 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.598 -7.795 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.291 -6.793 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.013 -8.530 2.921 1.00 0.00 H new ATOM 990 N GLY A 127 -9.796 -10.787 1.581 1.00 0.00 N ATOM 991 CA GLY A 127 -9.779 -12.230 1.424 1.00 0.00 C ATOM 992 C GLY A 127 -10.245 -12.954 2.672 1.00 0.00 C ATOM 993 O GLY A 127 -9.675 -13.975 3.055 1.00 0.00 O ATOM 0 H GLY A 127 -10.469 -10.300 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -10.418 -12.509 0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -8.768 -12.554 1.176 1.00 0.00 H new ATOM 997 N GLY A 128 -11.285 -12.423 3.309 1.00 0.00 N ATOM 998 CA GLY A 128 -11.808 -13.038 4.515 1.00 0.00 C ATOM 999 C GLY A 128 -11.298 -12.368 5.775 1.00 0.00 C ATOM 1000 O GLY A 128 -12.068 -12.088 6.694 1.00 0.00 O ATOM 0 H GLY A 128 -11.774 -11.579 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -12.897 -12.994 4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.532 -14.092 4.531 1.00 0.00 H new ATOM 1004 N HIS A 129 -9.994 -12.112 5.821 1.00 0.00 N ATOM 1005 CA HIS A 129 -9.381 -11.472 6.980 1.00 0.00 C ATOM 1006 C HIS A 129 -10.038 -10.126 7.268 1.00 0.00 C ATOM 1007 O HIS A 129 -10.923 -9.686 6.533 1.00 0.00 O ATOM 1008 CB HIS A 129 -7.881 -11.282 6.750 1.00 0.00 C ATOM 1009 CG HIS A 129 -7.176 -12.536 6.335 1.00 0.00 C ATOM 1010 ND1 HIS A 129 -6.452 -12.641 5.166 1.00 0.00 N ATOM 1011 CD2 HIS A 129 -7.083 -13.743 6.942 1.00 0.00 C ATOM 1012 CE1 HIS A 129 -5.948 -13.858 5.070 1.00 0.00 C ATOM 1013 NE2 HIS A 129 -6.315 -14.546 6.136 1.00 0.00 N ATOM 0 H HIS A 129 -9.342 -12.338 5.070 1.00 0.00 H new ATOM 0 HA HIS A 129 -9.529 -12.121 7.843 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -7.733 -10.521 5.984 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -7.426 -10.905 7.666 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -7.530 -14.022 7.885 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -5.339 -14.228 4.258 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -6.068 -15.517 6.329 1.00 0.00 H new ATOM 1021 N ARG A 130 -9.600 -9.476 8.341 1.00 0.00 N ATOM 1022 CA ARG A 130 -10.147 -8.181 8.727 1.00 0.00 C ATOM 1023 C ARG A 130 -9.059 -7.111 8.732 1.00 0.00 C ATOM 1024 O ARG A 130 -7.869 -7.420 8.811 1.00 0.00 O ATOM 1025 CB ARG A 130 -10.797 -8.269 10.109 1.00 0.00 C ATOM 1026 CG ARG A 130 -12.188 -8.881 10.089 1.00 0.00 C ATOM 1027 CD ARG A 130 -13.259 -7.826 9.862 1.00 0.00 C ATOM 1028 NE ARG A 130 -14.443 -8.378 9.210 1.00 0.00 N ATOM 1029 CZ ARG A 130 -15.467 -7.639 8.797 1.00 0.00 C ATOM 1030 NH1 ARG A 130 -15.452 -6.324 8.969 1.00 0.00 N ATOM 1031 NH2 ARG A 130 -16.509 -8.215 8.212 1.00 0.00 N ATOM 0 H ARG A 130 -8.867 -9.825 8.959 1.00 0.00 H new ATOM 0 HA ARG A 130 -10.904 -7.902 7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.158 -8.861 10.765 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.855 -7.269 10.538 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -12.244 -9.633 9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -12.375 -9.393 11.033 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.544 -7.387 10.818 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.851 -7.021 9.251 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.486 -9.386 9.063 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.653 -5.878 9.419 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -16.239 -5.759 8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -16.525 -9.226 8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -17.295 -7.647 7.895 1.00 0.00 H new ATOM 1045 N LEU A 131 -9.475 -5.852 8.647 1.00 0.00 N ATOM 1046 CA LEU A 131 -8.536 -4.735 8.642 1.00 0.00 C ATOM 1047 C LEU A 131 -9.041 -3.595 9.519 1.00 0.00 C ATOM 1048 O LEU A 131 -10.248 -3.387 9.651 1.00 0.00 O ATOM 1049 CB LEU A 131 -8.316 -4.236 7.213 1.00 0.00 C ATOM 1050 CG LEU A 131 -7.730 -5.250 6.230 1.00 0.00 C ATOM 1051 CD1 LEU A 131 -7.808 -4.720 4.807 1.00 0.00 C ATOM 1052 CD2 LEU A 131 -6.292 -5.583 6.600 1.00 0.00 C ATOM 0 H LEU A 131 -10.456 -5.579 8.581 1.00 0.00 H new ATOM 0 HA LEU A 131 -7.588 -5.087 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -9.272 -3.889 6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -7.654 -3.371 7.250 1.00 0.00 H new ATOM 0 HG LEU A 131 -8.319 -6.165 6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -7.386 -5.455 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -8.849 -4.534 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -7.244 -3.790 4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -5.892 -6.306 5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.690 -4.675 6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -6.263 -6.007 7.604 1.00 0.00 H new ATOM 1064 N ARG A 132 -8.111 -2.857 10.116 1.00 0.00 N ATOM 1065 CA ARG A 132 -8.462 -1.737 10.981 1.00 0.00 C ATOM 1066 C ARG A 132 -7.987 -0.417 10.380 1.00 0.00 C ATOM 1067 O ARG A 132 -7.008 0.170 10.841 1.00 0.00 O ATOM 1068 CB ARG A 132 -7.852 -1.926 12.370 1.00 0.00 C ATOM 1069 CG ARG A 132 -8.546 -2.993 13.201 1.00 0.00 C ATOM 1070 CD ARG A 132 -9.727 -2.421 13.968 1.00 0.00 C ATOM 1071 NE ARG A 132 -10.586 -3.469 14.513 1.00 0.00 N ATOM 1072 CZ ARG A 132 -11.467 -4.148 13.787 1.00 0.00 C ATOM 1073 NH1 ARG A 132 -11.604 -3.891 12.493 1.00 0.00 N ATOM 1074 NH2 ARG A 132 -12.212 -5.088 14.354 1.00 0.00 N ATOM 0 H ARG A 132 -7.108 -3.015 10.016 1.00 0.00 H new ATOM 0 HA ARG A 132 -9.548 -1.706 11.071 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -6.800 -2.189 12.262 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -7.891 -0.978 12.906 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -8.889 -3.797 12.550 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -7.834 -3.431 13.901 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -9.362 -1.793 14.781 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -10.312 -1.780 13.308 1.00 0.00 H new ATOM 0 HE ARG A 132 -10.505 -3.692 15.505 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -11.032 -3.170 12.053 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -12.281 -4.414 11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -12.109 -5.290 15.348 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -12.888 -5.609 13.795 1.00 0.00 H new ATOM 1088 N VAL A 133 -8.686 0.044 9.348 1.00 0.00 N ATOM 1089 CA VAL A 133 -8.337 1.294 8.684 1.00 0.00 C ATOM 1090 C VAL A 133 -8.814 2.496 9.490 1.00 0.00 C ATOM 1091 O VAL A 133 -9.945 2.520 9.978 1.00 0.00 O ATOM 1092 CB VAL A 133 -8.940 1.366 7.269 1.00 0.00 C ATOM 1093 CG1 VAL A 133 -8.452 2.610 6.542 1.00 0.00 C ATOM 1094 CG2 VAL A 133 -8.600 0.110 6.480 1.00 0.00 C ATOM 0 H VAL A 133 -9.498 -0.430 8.953 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.250 1.319 8.609 1.00 0.00 H new ATOM 0 HB VAL A 133 -10.024 1.429 7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -8.889 2.643 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -8.751 3.498 7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.365 2.582 6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -9.034 0.178 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.517 0.013 6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -9.005 -0.763 6.993 1.00 0.00 H new ATOM 1104 N ARG A 134 -7.946 3.493 9.626 1.00 0.00 N ATOM 1105 CA ARG A 134 -8.279 4.700 10.374 1.00 0.00 C ATOM 1106 C ARG A 134 -7.514 5.904 9.832 1.00 0.00 C ATOM 1107 O ARG A 134 -6.361 5.800 9.414 1.00 0.00 O ATOM 1108 CB ARG A 134 -7.964 4.508 11.858 1.00 0.00 C ATOM 1109 CG ARG A 134 -6.490 4.269 12.143 1.00 0.00 C ATOM 1110 CD ARG A 134 -6.112 4.724 13.544 1.00 0.00 C ATOM 1111 NE ARG A 134 -6.464 3.731 14.555 1.00 0.00 N ATOM 1112 CZ ARG A 134 -5.830 2.572 14.698 1.00 0.00 C ATOM 1113 NH1 ARG A 134 -4.818 2.263 13.899 1.00 0.00 N ATOM 1114 NH2 ARG A 134 -6.208 1.720 15.642 1.00 0.00 N ATOM 0 H ARG A 134 -7.007 3.489 9.228 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.346 4.887 10.257 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.293 5.390 12.407 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.540 3.664 12.236 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.264 3.209 12.030 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.885 4.803 11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -5.040 4.919 13.585 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.616 5.664 13.768 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.238 3.938 15.186 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -4.524 2.916 13.172 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -4.333 1.373 14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.986 1.954 16.259 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.721 0.831 15.751 1.00 0.00 H new ATOM 1128 N PRO A 135 -8.170 7.074 9.838 1.00 0.00 N ATOM 1129 CA PRO A 135 -7.571 8.320 9.350 1.00 0.00 C ATOM 1130 C PRO A 135 -6.150 8.520 9.866 1.00 0.00 C ATOM 1131 O PRO A 135 -5.838 8.170 11.004 1.00 0.00 O ATOM 1132 CB PRO A 135 -8.500 9.401 9.907 1.00 0.00 C ATOM 1133 CG PRO A 135 -9.824 8.731 10.043 1.00 0.00 C ATOM 1134 CD PRO A 135 -9.547 7.270 10.321 1.00 0.00 C ATOM 0 HA PRO A 135 -7.483 8.333 8.264 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -8.144 9.772 10.868 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -8.557 10.258 9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -10.401 9.176 10.853 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -10.411 8.847 9.132 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -9.634 7.042 11.383 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -10.250 6.623 9.797 1.00 0.00 H new ATOM 1142 N ARG A 136 -5.294 9.087 9.022 1.00 0.00 N ATOM 1143 CA ARG A 136 -3.906 9.333 9.394 1.00 0.00 C ATOM 1144 C ARG A 136 -3.813 10.421 10.459 1.00 0.00 C ATOM 1145 O ARG A 136 -4.633 11.339 10.496 1.00 0.00 O ATOM 1146 CB ARG A 136 -3.091 9.738 8.164 1.00 0.00 C ATOM 1147 CG ARG A 136 -1.604 9.887 8.440 1.00 0.00 C ATOM 1148 CD ARG A 136 -0.865 10.442 7.232 1.00 0.00 C ATOM 1149 NE ARG A 136 0.584 10.386 7.404 1.00 0.00 N ATOM 1150 CZ ARG A 136 1.445 10.974 6.581 1.00 0.00 C ATOM 1151 NH1 ARG A 136 1.004 11.659 5.534 1.00 0.00 N ATOM 1152 NH2 ARG A 136 2.749 10.878 6.803 1.00 0.00 N ATOM 0 H ARG A 136 -5.537 9.384 8.077 1.00 0.00 H new ATOM 0 HA ARG A 136 -3.497 8.410 9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -3.234 8.992 7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.476 10.682 7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.456 10.548 9.294 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.184 8.918 8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.147 9.877 6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.170 11.475 7.063 1.00 0.00 H new ATOM 0 HE ARG A 136 0.955 9.867 8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.002 11.735 5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 136 1.667 12.110 4.903 1.00 0.00 H new ATOM 0 HH21 ARG A 136 3.092 10.352 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 136 3.409 11.330 6.170 1.00 0.00 H new