USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=14 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= -8.81! C(o=-13!,f=-18!) USER MOD Set 1.2: A 124 HIS : +bothHN:sc= -4.67 K(o=-13,f=-16!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 71 SER OG : rot 26:sc= 1.15 USER MOD Single : A 79 SER OG : rot -177:sc= -0.758 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 94 SER OG : rot -7:sc= 0.989 USER MOD Single : A 97 MET CE :methyl -167:sc= 0 (180deg=-0.147) USER MOD Single : A 99 LYS NZ :NH3+ 138:sc= -0.239 (180deg=-1.06) USER MOD Single : A 101 LYS NZ :NH3+ 161:sc= -1.43 (180deg=-2.16!) USER MOD Single : A 109 MET CE :methyl -125:sc= -0.0513 (180deg=-1.15) 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=-0.000355 K(o=-0.00035,f=-0.87) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ARG A 66 -4.516 13.573 2.296 1.00 0.00 N ATOM 86 CA ARG A 66 -5.297 12.486 1.718 1.00 0.00 C ATOM 87 C ARG A 66 -4.636 11.138 1.988 1.00 0.00 C ATOM 88 O ARG A 66 -4.546 10.290 1.100 1.00 0.00 O ATOM 89 CB ARG A 66 -5.461 12.693 0.211 1.00 0.00 C ATOM 90 CG ARG A 66 -6.104 14.020 -0.155 1.00 0.00 C ATOM 91 CD ARG A 66 -5.705 14.466 -1.554 1.00 0.00 C ATOM 92 NE ARG A 66 -4.330 14.954 -1.601 1.00 0.00 N ATOM 93 CZ ARG A 66 -3.754 15.425 -2.702 1.00 0.00 C ATOM 94 NH1 ARG A 66 -4.432 15.471 -3.840 1.00 0.00 N ATOM 95 NH2 ARG A 66 -2.498 15.851 -2.665 1.00 0.00 N ATOM 0 HA ARG A 66 -6.281 12.489 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.482 12.630 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.065 11.882 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.189 13.928 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.809 14.780 0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.817 13.632 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.381 15.253 -1.890 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.781 14.932 -0.741 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.398 15.145 -3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.988 15.833 -4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.974 15.817 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.057 16.212 -3.511 1.00 0.00 H new ATOM 109 N SER A 67 -4.174 10.947 3.220 1.00 0.00 N ATOM 110 CA SER A 67 -3.517 9.704 3.607 1.00 0.00 C ATOM 111 C SER A 67 -4.388 8.907 4.573 1.00 0.00 C ATOM 112 O SER A 67 -5.252 9.463 5.251 1.00 0.00 O ATOM 113 CB SER A 67 -2.160 9.998 4.250 1.00 0.00 C ATOM 114 OG SER A 67 -2.262 11.046 5.198 1.00 0.00 O ATOM 0 H SER A 67 -4.243 11.638 3.967 1.00 0.00 H new ATOM 0 HA SER A 67 -3.363 9.108 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.782 9.099 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.440 10.270 3.479 1.00 0.00 H new ATOM 0 HG SER A 67 -1.382 11.214 5.596 1.00 0.00 H new ATOM 120 N VAL A 68 -4.155 7.600 4.629 1.00 0.00 N ATOM 121 CA VAL A 68 -4.916 6.724 5.512 1.00 0.00 C ATOM 122 C VAL A 68 -4.021 5.660 6.136 1.00 0.00 C ATOM 123 O VAL A 68 -3.281 4.967 5.437 1.00 0.00 O ATOM 124 CB VAL A 68 -6.069 6.033 4.759 1.00 0.00 C ATOM 125 CG1 VAL A 68 -6.969 7.065 4.096 1.00 0.00 C ATOM 126 CG2 VAL A 68 -5.522 5.053 3.733 1.00 0.00 C ATOM 0 H VAL A 68 -3.445 7.124 4.073 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.331 7.352 6.300 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.667 5.474 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.777 6.558 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.388 7.724 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.387 7.654 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.350 4.574 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.900 5.587 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.924 4.294 4.237 1.00 0.00 H new ATOM 136 N PHE A 69 -4.093 5.535 7.457 1.00 0.00 N ATOM 137 CA PHE A 69 -3.289 4.554 8.177 1.00 0.00 C ATOM 138 C PHE A 69 -3.983 3.196 8.206 1.00 0.00 C ATOM 139 O PHE A 69 -5.070 3.053 8.765 1.00 0.00 O ATOM 140 CB PHE A 69 -3.021 5.033 9.606 1.00 0.00 C ATOM 141 CG PHE A 69 -2.518 3.950 10.517 1.00 0.00 C ATOM 142 CD1 PHE A 69 -3.404 3.139 11.207 1.00 0.00 C ATOM 143 CD2 PHE A 69 -1.158 3.743 10.683 1.00 0.00 C ATOM 144 CE1 PHE A 69 -2.944 2.141 12.046 1.00 0.00 C ATOM 145 CE2 PHE A 69 -0.692 2.746 11.519 1.00 0.00 C ATOM 146 CZ PHE A 69 -1.586 1.946 12.203 1.00 0.00 C ATOM 0 H PHE A 69 -4.700 6.101 8.051 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.340 4.445 7.653 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.291 5.842 9.579 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.940 5.447 10.020 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.467 3.288 11.088 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.454 4.368 10.153 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.645 1.515 12.578 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.370 2.593 11.637 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.224 1.169 12.860 1.00 0.00 H new ATOM 156 N VAL A 70 -3.347 2.200 7.597 1.00 0.00 N ATOM 157 CA VAL A 70 -3.902 0.853 7.552 1.00 0.00 C ATOM 158 C VAL A 70 -3.083 -0.108 8.407 1.00 0.00 C ATOM 159 O VAL A 70 -1.869 -0.224 8.238 1.00 0.00 O ATOM 160 CB VAL A 70 -3.959 0.317 6.109 1.00 0.00 C ATOM 161 CG1 VAL A 70 -4.561 -1.080 6.081 1.00 0.00 C ATOM 162 CG2 VAL A 70 -4.750 1.265 5.220 1.00 0.00 C ATOM 0 H VAL A 70 -2.447 2.301 7.128 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.915 0.915 7.949 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.942 0.256 5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.593 -1.442 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.950 -1.752 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.572 -1.049 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.780 0.871 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.766 1.360 5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.271 2.244 5.215 1.00 0.00 H new ATOM 172 N SER A 71 -3.755 -0.795 9.325 1.00 0.00 N ATOM 173 CA SER A 71 -3.089 -1.744 10.209 1.00 0.00 C ATOM 174 C SER A 71 -3.995 -2.934 10.510 1.00 0.00 C ATOM 175 O SER A 71 -5.219 -2.809 10.524 1.00 0.00 O ATOM 176 CB SER A 71 -2.679 -1.057 11.513 1.00 0.00 C ATOM 177 OG SER A 71 -1.852 -1.901 12.296 1.00 0.00 O ATOM 0 H SER A 71 -4.760 -0.712 9.476 1.00 0.00 H new ATOM 0 HA SER A 71 -2.195 -2.109 9.703 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.150 -0.131 11.289 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.569 -0.787 12.081 1.00 0.00 H new ATOM 0 HG SER A 71 -1.389 -2.538 11.713 1.00 0.00 H new ATOM 183 N GLY A 72 -3.383 -4.090 10.751 1.00 0.00 N ATOM 184 CA GLY A 72 -4.148 -5.286 11.048 1.00 0.00 C ATOM 185 C GLY A 72 -4.307 -6.188 9.840 1.00 0.00 C ATOM 186 O GLY A 72 -5.323 -6.869 9.694 1.00 0.00 O ATOM 0 H GLY A 72 -2.371 -4.219 10.746 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.656 -5.839 11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.133 -5.001 11.417 1.00 0.00 H new ATOM 190 N PHE A 73 -3.302 -6.193 8.971 1.00 0.00 N ATOM 191 CA PHE A 73 -3.336 -7.017 7.768 1.00 0.00 C ATOM 192 C PHE A 73 -2.660 -8.363 8.011 1.00 0.00 C ATOM 193 O PHE A 73 -1.674 -8.469 8.741 1.00 0.00 O ATOM 194 CB PHE A 73 -2.650 -6.291 6.609 1.00 0.00 C ATOM 195 CG PHE A 73 -1.400 -5.562 7.013 1.00 0.00 C ATOM 196 CD1 PHE A 73 -0.251 -6.261 7.346 1.00 0.00 C ATOM 197 CD2 PHE A 73 -1.375 -4.177 7.060 1.00 0.00 C ATOM 198 CE1 PHE A 73 0.899 -5.592 7.720 1.00 0.00 C ATOM 199 CE2 PHE A 73 -0.227 -3.503 7.432 1.00 0.00 C ATOM 200 CZ PHE A 73 0.912 -4.212 7.761 1.00 0.00 C ATOM 0 H PHE A 73 -2.454 -5.636 9.077 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.380 -7.196 7.510 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.404 -7.015 5.832 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.350 -5.580 6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.254 -7.340 7.313 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.263 -3.618 6.803 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.787 -6.149 7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.221 -2.424 7.465 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.811 -3.688 8.050 1.00 0.00 H new ATOM 210 N PRO A 74 -3.203 -9.418 7.386 1.00 0.00 N ATOM 211 CA PRO A 74 -2.669 -10.777 7.518 1.00 0.00 C ATOM 212 C PRO A 74 -1.151 -10.820 7.381 1.00 0.00 C ATOM 213 O PRO A 74 -0.532 -9.857 6.928 1.00 0.00 O ATOM 214 CB PRO A 74 -3.332 -11.532 6.363 1.00 0.00 C ATOM 215 CG PRO A 74 -4.614 -10.812 6.125 1.00 0.00 C ATOM 216 CD PRO A 74 -4.379 -9.366 6.501 1.00 0.00 C ATOM 0 HA PRO A 74 -2.877 -11.203 8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.703 -11.525 5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.507 -12.576 6.621 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.916 -10.896 5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.416 -11.242 6.725 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.191 -8.750 5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.244 -8.940 7.010 1.00 0.00 H new ATOM 224 N ARG A 75 -0.558 -11.942 7.776 1.00 0.00 N ATOM 225 CA ARG A 75 0.889 -12.109 7.698 1.00 0.00 C ATOM 226 C ARG A 75 1.329 -12.367 6.260 1.00 0.00 C ATOM 227 O ARG A 75 0.831 -13.279 5.601 1.00 0.00 O ATOM 228 CB ARG A 75 1.339 -13.263 8.595 1.00 0.00 C ATOM 229 CG ARG A 75 0.882 -14.628 8.108 1.00 0.00 C ATOM 230 CD ARG A 75 1.050 -15.689 9.184 1.00 0.00 C ATOM 231 NE ARG A 75 0.074 -15.536 10.260 1.00 0.00 N ATOM 232 CZ ARG A 75 0.042 -16.312 11.338 1.00 0.00 C ATOM 233 NH1 ARG A 75 0.926 -17.289 11.483 1.00 0.00 N ATOM 234 NH2 ARG A 75 -0.877 -16.111 12.275 1.00 0.00 N ATOM 0 H ARG A 75 -1.056 -12.748 8.153 1.00 0.00 H new ATOM 0 HA ARG A 75 1.356 -11.186 8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.427 -13.256 8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.956 -13.099 9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.164 -14.576 7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.454 -14.911 7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.945 -16.678 8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.057 -15.630 9.597 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.620 -14.793 10.179 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.634 -17.447 10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.898 -17.883 12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.559 -15.360 12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.901 -16.707 13.102 1.00 0.00 H new ATOM 248 N GLY A 76 2.267 -11.556 5.779 1.00 0.00 N ATOM 249 CA GLY A 76 2.758 -11.713 4.422 1.00 0.00 C ATOM 250 C GLY A 76 2.320 -10.582 3.513 1.00 0.00 C ATOM 251 O GLY A 76 3.080 -10.137 2.653 1.00 0.00 O ATOM 0 H GLY A 76 2.695 -10.794 6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.847 -11.763 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.401 -12.660 4.017 1.00 0.00 H new ATOM 255 N VAL A 77 1.089 -10.117 3.701 1.00 0.00 N ATOM 256 CA VAL A 77 0.549 -9.032 2.890 1.00 0.00 C ATOM 257 C VAL A 77 1.627 -8.007 2.557 1.00 0.00 C ATOM 258 O VAL A 77 2.425 -7.629 3.415 1.00 0.00 O ATOM 259 CB VAL A 77 -0.615 -8.322 3.605 1.00 0.00 C ATOM 260 CG1 VAL A 77 -1.139 -7.171 2.760 1.00 0.00 C ATOM 261 CG2 VAL A 77 -1.727 -9.311 3.922 1.00 0.00 C ATOM 0 H VAL A 77 0.447 -10.475 4.408 1.00 0.00 H new ATOM 0 HA VAL A 77 0.179 -9.480 1.968 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.245 -7.912 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.961 -6.681 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.338 -6.452 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.493 -7.554 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.542 -8.793 4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.096 -9.752 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.340 -10.098 4.570 1.00 0.00 H new ATOM 271 N ASP A 78 1.645 -7.560 1.306 1.00 0.00 N ATOM 272 CA ASP A 78 2.624 -6.576 0.860 1.00 0.00 C ATOM 273 C ASP A 78 1.940 -5.411 0.150 1.00 0.00 C ATOM 274 O ASP A 78 0.817 -5.542 -0.337 1.00 0.00 O ATOM 275 CB ASP A 78 3.645 -7.228 -0.073 1.00 0.00 C ATOM 276 CG ASP A 78 4.766 -7.914 0.684 1.00 0.00 C ATOM 277 OD1 ASP A 78 5.048 -7.502 1.828 1.00 0.00 O ATOM 278 OD2 ASP A 78 5.361 -8.863 0.131 1.00 0.00 O ATOM 0 H ASP A 78 0.993 -7.864 0.583 1.00 0.00 H new ATOM 0 HA ASP A 78 3.140 -6.190 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.140 -7.956 -0.707 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.067 -6.469 -0.732 1.00 0.00 H new ATOM 283 N SER A 79 2.624 -4.273 0.098 1.00 0.00 N ATOM 284 CA SER A 79 2.080 -3.084 -0.547 1.00 0.00 C ATOM 285 C SER A 79 1.421 -3.440 -1.876 1.00 0.00 C ATOM 286 O SER A 79 0.345 -2.939 -2.201 1.00 0.00 O ATOM 287 CB SER A 79 3.186 -2.050 -0.774 1.00 0.00 C ATOM 288 OG SER A 79 2.759 -1.034 -1.665 1.00 0.00 O ATOM 0 H SER A 79 3.556 -4.149 0.495 1.00 0.00 H new ATOM 0 HA SER A 79 1.323 -2.658 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.474 -1.605 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.071 -2.542 -1.176 1.00 0.00 H new ATOM 0 HG SER A 79 3.498 -0.412 -1.830 1.00 0.00 H new ATOM 294 N ALA A 80 2.075 -4.308 -2.640 1.00 0.00 N ATOM 295 CA ALA A 80 1.553 -4.734 -3.933 1.00 0.00 C ATOM 296 C ALA A 80 0.097 -5.171 -3.819 1.00 0.00 C ATOM 297 O ALA A 80 -0.777 -4.634 -4.499 1.00 0.00 O ATOM 298 CB ALA A 80 2.402 -5.862 -4.500 1.00 0.00 C ATOM 0 H ALA A 80 2.968 -4.730 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 80 1.598 -3.884 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.000 -6.170 -5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.428 -5.517 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.387 -6.709 -3.814 1.00 0.00 H new ATOM 304 N GLN A 81 -0.157 -6.150 -2.956 1.00 0.00 N ATOM 305 CA GLN A 81 -1.508 -6.660 -2.756 1.00 0.00 C ATOM 306 C GLN A 81 -2.427 -5.569 -2.217 1.00 0.00 C ATOM 307 O GLN A 81 -3.453 -5.251 -2.821 1.00 0.00 O ATOM 308 CB GLN A 81 -1.490 -7.849 -1.794 1.00 0.00 C ATOM 309 CG GLN A 81 -0.761 -9.065 -2.343 1.00 0.00 C ATOM 310 CD GLN A 81 -0.829 -10.257 -1.409 1.00 0.00 C ATOM 311 OE1 GLN A 81 -1.814 -10.996 -1.398 1.00 0.00 O ATOM 312 NE2 GLN A 81 0.220 -10.451 -0.618 1.00 0.00 N ATOM 0 H GLN A 81 0.555 -6.605 -2.385 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.892 -6.989 -3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.017 -7.543 -0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.516 -8.128 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.192 -9.338 -3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.283 -8.808 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.015 -9.814 -0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.230 -11.237 0.032 1.00 0.00 H new ATOM 321 N LEU A 82 -2.054 -4.997 -1.077 1.00 0.00 N ATOM 322 CA LEU A 82 -2.845 -3.941 -0.456 1.00 0.00 C ATOM 323 C LEU A 82 -3.343 -2.947 -1.500 1.00 0.00 C ATOM 324 O LEU A 82 -4.537 -2.657 -1.576 1.00 0.00 O ATOM 325 CB LEU A 82 -2.017 -3.212 0.604 1.00 0.00 C ATOM 326 CG LEU A 82 -1.868 -3.927 1.948 1.00 0.00 C ATOM 327 CD1 LEU A 82 -0.708 -3.341 2.738 1.00 0.00 C ATOM 328 CD2 LEU A 82 -3.160 -3.835 2.747 1.00 0.00 C ATOM 0 H LEU A 82 -1.208 -5.247 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.710 -4.403 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.021 -3.032 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.469 -2.236 0.782 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.656 -4.979 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.617 -3.862 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.215 -3.459 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.890 -2.282 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.036 -4.349 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.402 -2.788 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.969 -4.302 2.186 1.00 0.00 H new ATOM 340 N SER A 83 -2.420 -2.431 -2.305 1.00 0.00 N ATOM 341 CA SER A 83 -2.765 -1.468 -3.345 1.00 0.00 C ATOM 342 C SER A 83 -3.900 -1.995 -4.217 1.00 0.00 C ATOM 343 O SER A 83 -4.892 -1.303 -4.448 1.00 0.00 O ATOM 344 CB SER A 83 -1.542 -1.161 -4.211 1.00 0.00 C ATOM 345 OG SER A 83 -1.904 -0.414 -5.359 1.00 0.00 O ATOM 0 H SER A 83 -1.428 -2.663 -2.257 1.00 0.00 H new ATOM 0 HA SER A 83 -3.098 -0.550 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.810 -0.604 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.065 -2.093 -4.515 1.00 0.00 H new ATOM 0 HG SER A 83 -1.104 -0.230 -5.895 1.00 0.00 H new ATOM 351 N GLU A 84 -3.747 -3.224 -4.700 1.00 0.00 N ATOM 352 CA GLU A 84 -4.759 -3.843 -5.548 1.00 0.00 C ATOM 353 C GLU A 84 -6.115 -3.867 -4.848 1.00 0.00 C ATOM 354 O GLU A 84 -7.139 -3.533 -5.443 1.00 0.00 O ATOM 355 CB GLU A 84 -4.341 -5.266 -5.923 1.00 0.00 C ATOM 356 CG GLU A 84 -4.890 -5.729 -7.262 1.00 0.00 C ATOM 357 CD GLU A 84 -5.071 -7.233 -7.330 1.00 0.00 C ATOM 358 OE1 GLU A 84 -4.081 -7.938 -7.616 1.00 0.00 O ATOM 359 OE2 GLU A 84 -6.204 -7.704 -7.096 1.00 0.00 O ATOM 0 H GLU A 84 -2.932 -3.810 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.849 -3.247 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.253 -5.321 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.678 -5.951 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.848 -5.243 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.215 -5.412 -8.057 1.00 0.00 H new ATOM 366 N TYR A 85 -6.112 -4.265 -3.581 1.00 0.00 N ATOM 367 CA TYR A 85 -7.341 -4.336 -2.799 1.00 0.00 C ATOM 368 C TYR A 85 -7.924 -2.945 -2.572 1.00 0.00 C ATOM 369 O TYR A 85 -9.119 -2.793 -2.320 1.00 0.00 O ATOM 370 CB TYR A 85 -7.077 -5.017 -1.455 1.00 0.00 C ATOM 371 CG TYR A 85 -8.156 -4.764 -0.426 1.00 0.00 C ATOM 372 CD1 TYR A 85 -9.463 -5.182 -0.645 1.00 0.00 C ATOM 373 CD2 TYR A 85 -7.868 -4.109 0.765 1.00 0.00 C ATOM 374 CE1 TYR A 85 -10.452 -4.952 0.292 1.00 0.00 C ATOM 375 CE2 TYR A 85 -8.850 -3.877 1.708 1.00 0.00 C ATOM 376 CZ TYR A 85 -10.141 -4.300 1.467 1.00 0.00 C ATOM 377 OH TYR A 85 -11.123 -4.071 2.403 1.00 0.00 O ATOM 0 H TYR A 85 -5.272 -4.543 -3.073 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.065 -4.926 -3.361 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.983 -6.091 -1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.122 -4.668 -1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.710 -5.695 -1.563 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.859 -3.776 0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.464 -5.281 0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.609 -3.367 2.629 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.738 -3.602 3.173 1.00 0.00 H new ATOM 387 N PHE A 86 -7.069 -1.931 -2.663 1.00 0.00 N ATOM 388 CA PHE A 86 -7.497 -0.551 -2.468 1.00 0.00 C ATOM 389 C PHE A 86 -7.947 0.071 -3.786 1.00 0.00 C ATOM 390 O PHE A 86 -8.724 1.028 -3.802 1.00 0.00 O ATOM 391 CB PHE A 86 -6.362 0.277 -1.862 1.00 0.00 C ATOM 392 CG PHE A 86 -6.181 0.057 -0.387 1.00 0.00 C ATOM 393 CD1 PHE A 86 -7.213 0.324 0.498 1.00 0.00 C ATOM 394 CD2 PHE A 86 -4.979 -0.414 0.114 1.00 0.00 C ATOM 395 CE1 PHE A 86 -7.050 0.123 1.856 1.00 0.00 C ATOM 396 CE2 PHE A 86 -4.810 -0.618 1.471 1.00 0.00 C ATOM 397 CZ PHE A 86 -5.847 -0.348 2.343 1.00 0.00 C ATOM 0 H PHE A 86 -6.076 -2.039 -2.870 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.343 -0.554 -1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.431 0.033 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.558 1.334 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.156 0.693 0.123 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.164 -0.624 -0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -7.863 0.334 2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.868 -0.988 1.849 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.717 -0.505 3.404 1.00 0.00 H new ATOM 407 N LEU A 87 -7.454 -0.478 -4.891 1.00 0.00 N ATOM 408 CA LEU A 87 -7.805 0.023 -6.216 1.00 0.00 C ATOM 409 C LEU A 87 -9.301 -0.118 -6.473 1.00 0.00 C ATOM 410 O LEU A 87 -9.872 0.606 -7.288 1.00 0.00 O ATOM 411 CB LEU A 87 -7.018 -0.729 -7.291 1.00 0.00 C ATOM 412 CG LEU A 87 -5.575 -0.272 -7.510 1.00 0.00 C ATOM 413 CD1 LEU A 87 -4.861 -1.203 -8.477 1.00 0.00 C ATOM 414 CD2 LEU A 87 -5.541 1.160 -8.022 1.00 0.00 C ATOM 0 H LEU A 87 -6.811 -1.269 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.547 1.081 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.007 -1.788 -7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.554 -0.638 -8.236 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.054 -0.307 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.836 -0.862 -8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.853 -2.214 -8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.381 -1.201 -9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.506 1.468 -8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.079 1.221 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.014 1.818 -7.293 1.00 0.00 H new ATOM 426 N ALA A 88 -9.932 -1.054 -5.771 1.00 0.00 N ATOM 427 CA ALA A 88 -11.363 -1.287 -5.920 1.00 0.00 C ATOM 428 C ALA A 88 -12.165 -0.059 -5.503 1.00 0.00 C ATOM 429 O ALA A 88 -13.333 0.083 -5.865 1.00 0.00 O ATOM 430 CB ALA A 88 -11.788 -2.499 -5.105 1.00 0.00 C ATOM 0 H ALA A 88 -9.474 -1.663 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.567 -1.482 -6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.859 -2.661 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.246 -3.379 -5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.563 -2.327 -4.052 1.00 0.00 H new ATOM 436 N PHE A 89 -11.531 0.825 -4.740 1.00 0.00 N ATOM 437 CA PHE A 89 -12.187 2.041 -4.273 1.00 0.00 C ATOM 438 C PHE A 89 -11.508 3.281 -4.847 1.00 0.00 C ATOM 439 O PHE A 89 -12.151 4.304 -5.076 1.00 0.00 O ATOM 440 CB PHE A 89 -12.171 2.098 -2.744 1.00 0.00 C ATOM 441 CG PHE A 89 -12.785 0.893 -2.092 1.00 0.00 C ATOM 442 CD1 PHE A 89 -12.034 -0.251 -1.874 1.00 0.00 C ATOM 443 CD2 PHE A 89 -14.114 0.903 -1.698 1.00 0.00 C ATOM 444 CE1 PHE A 89 -12.596 -1.363 -1.274 1.00 0.00 C ATOM 445 CE2 PHE A 89 -14.681 -0.205 -1.097 1.00 0.00 C ATOM 446 CZ PHE A 89 -13.921 -1.340 -0.886 1.00 0.00 C ATOM 0 H PHE A 89 -10.564 0.722 -4.432 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.221 2.023 -4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.141 2.200 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.705 2.990 -2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.997 -0.274 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.713 1.786 -1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -11.999 -2.248 -1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -15.717 -0.184 -0.793 1.00 0.00 H new ATOM 0 HZ PHE A 89 -14.363 -2.208 -0.418 1.00 0.00 H new ATOM 456 N GLY A 90 -10.202 3.180 -5.076 1.00 0.00 N ATOM 457 CA GLY A 90 -9.456 4.300 -5.620 1.00 0.00 C ATOM 458 C GLY A 90 -7.988 3.978 -5.817 1.00 0.00 C ATOM 459 O GLY A 90 -7.459 3.022 -5.249 1.00 0.00 O ATOM 0 H GLY A 90 -9.648 2.343 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.892 4.593 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.551 5.155 -4.951 1.00 0.00 H new ATOM 463 N PRO A 91 -7.306 4.787 -6.640 1.00 0.00 N ATOM 464 CA PRO A 91 -5.881 4.603 -6.930 1.00 0.00 C ATOM 465 C PRO A 91 -4.995 4.975 -5.746 1.00 0.00 C ATOM 466 O PRO A 91 -5.219 5.988 -5.084 1.00 0.00 O ATOM 467 CB PRO A 91 -5.632 5.554 -8.104 1.00 0.00 C ATOM 468 CG PRO A 91 -6.660 6.621 -7.952 1.00 0.00 C ATOM 469 CD PRO A 91 -7.873 5.946 -7.351 1.00 0.00 C ATOM 0 HA PRO A 91 -5.641 3.562 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.624 5.968 -8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.734 5.039 -9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.299 7.422 -7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.901 7.071 -8.915 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.407 6.611 -6.672 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.582 5.638 -8.119 1.00 0.00 H new ATOM 477 N VAL A 92 -3.987 4.148 -5.484 1.00 0.00 N ATOM 478 CA VAL A 92 -3.066 4.392 -4.380 1.00 0.00 C ATOM 479 C VAL A 92 -1.788 5.064 -4.869 1.00 0.00 C ATOM 480 O VAL A 92 -1.080 4.529 -5.721 1.00 0.00 O ATOM 481 CB VAL A 92 -2.700 3.083 -3.656 1.00 0.00 C ATOM 482 CG1 VAL A 92 -1.627 3.335 -2.607 1.00 0.00 C ATOM 483 CG2 VAL A 92 -3.937 2.459 -3.026 1.00 0.00 C ATOM 0 H VAL A 92 -3.788 3.304 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.577 5.055 -3.681 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.300 2.382 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.381 2.399 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.734 3.734 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.996 4.053 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.660 1.535 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.368 3.154 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.670 2.241 -3.803 1.00 0.00 H new ATOM 493 N ALA A 93 -1.499 6.241 -4.322 1.00 0.00 N ATOM 494 CA ALA A 93 -0.305 6.986 -4.700 1.00 0.00 C ATOM 495 C ALA A 93 0.959 6.266 -4.242 1.00 0.00 C ATOM 496 O ALA A 93 1.891 6.070 -5.022 1.00 0.00 O ATOM 497 CB ALA A 93 -0.354 8.391 -4.120 1.00 0.00 C ATOM 0 H ALA A 93 -2.076 6.698 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.279 7.055 -5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.544 8.936 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.233 8.911 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.408 8.334 -3.033 1.00 0.00 H new ATOM 503 N SER A 94 0.984 5.874 -2.972 1.00 0.00 N ATOM 504 CA SER A 94 2.136 5.180 -2.409 1.00 0.00 C ATOM 505 C SER A 94 1.769 4.495 -1.096 1.00 0.00 C ATOM 506 O SER A 94 0.785 4.853 -0.450 1.00 0.00 O ATOM 507 CB SER A 94 3.288 6.161 -2.181 1.00 0.00 C ATOM 508 OG SER A 94 3.795 6.648 -3.411 1.00 0.00 O ATOM 0 H SER A 94 0.220 6.025 -2.314 1.00 0.00 H new ATOM 0 HA SER A 94 2.453 4.418 -3.120 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.943 6.996 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.085 5.667 -1.625 1.00 0.00 H new ATOM 0 HG SER A 94 3.368 6.171 -4.153 1.00 0.00 H new ATOM 514 N VAL A 95 2.569 3.506 -0.708 1.00 0.00 N ATOM 515 CA VAL A 95 2.330 2.770 0.528 1.00 0.00 C ATOM 516 C VAL A 95 3.600 2.677 1.366 1.00 0.00 C ATOM 517 O VAL A 95 4.612 2.134 0.922 1.00 0.00 O ATOM 518 CB VAL A 95 1.811 1.348 0.243 1.00 0.00 C ATOM 519 CG1 VAL A 95 1.646 0.570 1.539 1.00 0.00 C ATOM 520 CG2 VAL A 95 0.499 1.405 -0.526 1.00 0.00 C ATOM 0 H VAL A 95 3.388 3.196 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 95 1.571 3.321 1.083 1.00 0.00 H new ATOM 0 HB VAL A 95 2.545 0.828 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.279 -0.432 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.608 0.500 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.933 1.084 2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.146 0.392 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.245 1.942 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.655 1.922 -1.473 1.00 0.00 H new ATOM 530 N VAL A 96 3.540 3.210 2.582 1.00 0.00 N ATOM 531 CA VAL A 96 4.685 3.186 3.485 1.00 0.00 C ATOM 532 C VAL A 96 4.497 2.146 4.584 1.00 0.00 C ATOM 533 O VAL A 96 3.763 2.371 5.545 1.00 0.00 O ATOM 534 CB VAL A 96 4.919 4.564 4.131 1.00 0.00 C ATOM 535 CG1 VAL A 96 6.204 4.561 4.945 1.00 0.00 C ATOM 536 CG2 VAL A 96 4.954 5.652 3.069 1.00 0.00 C ATOM 0 H VAL A 96 2.711 3.664 2.965 1.00 0.00 H new ATOM 0 HA VAL A 96 5.556 2.922 2.885 1.00 0.00 H new ATOM 0 HB VAL A 96 4.090 4.774 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.353 5.543 5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.135 3.809 5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.047 4.328 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.120 6.619 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.762 5.449 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.004 5.669 2.534 1.00 0.00 H new ATOM 546 N MET A 97 5.166 1.007 4.434 1.00 0.00 N ATOM 547 CA MET A 97 5.073 -0.067 5.416 1.00 0.00 C ATOM 548 C MET A 97 6.096 0.126 6.531 1.00 0.00 C ATOM 549 O MET A 97 7.280 0.341 6.270 1.00 0.00 O ATOM 550 CB MET A 97 5.287 -1.423 4.741 1.00 0.00 C ATOM 551 CG MET A 97 4.306 -1.702 3.613 1.00 0.00 C ATOM 552 SD MET A 97 2.779 -2.464 4.193 1.00 0.00 S ATOM 553 CE MET A 97 3.210 -4.200 4.100 1.00 0.00 C ATOM 0 H MET A 97 5.777 0.804 3.643 1.00 0.00 H new ATOM 0 HA MET A 97 4.075 -0.040 5.854 1.00 0.00 H new ATOM 0 HB2 MET A 97 6.303 -1.468 4.348 1.00 0.00 H new ATOM 0 HB3 MET A 97 5.200 -2.210 5.490 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.070 -0.768 3.102 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.778 -2.356 2.880 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.309 -4.805 4.202 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.679 -4.407 3.138 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.905 -4.446 4.903 1.00 0.00 H new ATOM 563 N ASP A 98 5.632 0.048 7.773 1.00 0.00 N ATOM 564 CA ASP A 98 6.507 0.213 8.928 1.00 0.00 C ATOM 565 C ASP A 98 7.793 -0.588 8.754 1.00 0.00 C ATOM 566 O ASP A 98 7.766 -1.816 8.669 1.00 0.00 O ATOM 567 CB ASP A 98 5.788 -0.223 10.206 1.00 0.00 C ATOM 568 CG ASP A 98 6.631 -0.006 11.447 1.00 0.00 C ATOM 569 OD1 ASP A 98 7.058 1.144 11.680 1.00 0.00 O ATOM 570 OD2 ASP A 98 6.864 -0.986 12.185 1.00 0.00 O ATOM 0 H ASP A 98 4.655 -0.128 8.006 1.00 0.00 H new ATOM 0 HA ASP A 98 6.766 1.269 9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.855 0.333 10.302 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.524 -1.278 10.129 1.00 0.00 H new ATOM 575 N LYS A 99 8.919 0.115 8.701 1.00 0.00 N ATOM 576 CA LYS A 99 10.217 -0.529 8.537 1.00 0.00 C ATOM 577 C LYS A 99 10.809 -0.911 9.890 1.00 0.00 C ATOM 578 O LYS A 99 11.977 -1.290 9.982 1.00 0.00 O ATOM 579 CB LYS A 99 11.179 0.398 7.791 1.00 0.00 C ATOM 580 CG LYS A 99 11.695 1.549 8.638 1.00 0.00 C ATOM 581 CD LYS A 99 10.781 2.759 8.549 1.00 0.00 C ATOM 582 CE LYS A 99 11.503 4.034 8.956 1.00 0.00 C ATOM 583 NZ LYS A 99 12.740 4.251 8.154 1.00 0.00 N ATOM 0 H LYS A 99 8.959 1.132 8.769 1.00 0.00 H new ATOM 0 HA LYS A 99 10.073 -1.438 7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.026 -0.185 7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.674 0.802 6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.777 1.229 9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.697 1.824 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.408 2.860 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.914 2.609 9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.835 4.886 8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.760 3.984 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.812 5.255 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.571 3.980 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.702 3.670 7.292 1.00 0.00 H new ATOM 597 N ASP A 100 9.997 -0.811 10.936 1.00 0.00 N ATOM 598 CA ASP A 100 10.440 -1.149 12.284 1.00 0.00 C ATOM 599 C ASP A 100 10.095 -2.596 12.622 1.00 0.00 C ATOM 600 O ASP A 100 10.972 -3.392 12.957 1.00 0.00 O ATOM 601 CB ASP A 100 9.800 -0.207 13.305 1.00 0.00 C ATOM 602 CG ASP A 100 10.175 1.243 13.069 1.00 0.00 C ATOM 603 OD1 ASP A 100 11.374 1.574 13.190 1.00 0.00 O ATOM 604 OD2 ASP A 100 9.271 2.047 12.763 1.00 0.00 O ATOM 0 H ASP A 100 9.028 -0.498 10.877 1.00 0.00 H new ATOM 0 HA ASP A 100 11.523 -1.034 12.324 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.716 -0.311 13.261 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.108 -0.500 14.309 1.00 0.00 H new ATOM 609 N LYS A 101 8.812 -2.929 12.534 1.00 0.00 N ATOM 610 CA LYS A 101 8.350 -4.280 12.831 1.00 0.00 C ATOM 611 C LYS A 101 7.601 -4.872 11.641 1.00 0.00 C ATOM 612 O LYS A 101 8.069 -5.819 11.010 1.00 0.00 O ATOM 613 CB LYS A 101 7.444 -4.272 14.064 1.00 0.00 C ATOM 614 CG LYS A 101 8.163 -3.883 15.344 1.00 0.00 C ATOM 615 CD LYS A 101 8.781 -5.092 16.026 1.00 0.00 C ATOM 616 CE LYS A 101 7.784 -5.787 16.940 1.00 0.00 C ATOM 617 NZ LYS A 101 6.687 -6.438 16.170 1.00 0.00 N ATOM 0 H LYS A 101 8.073 -2.282 12.259 1.00 0.00 H new ATOM 0 HA LYS A 101 9.224 -4.900 13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.620 -3.579 13.895 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.006 -5.262 14.189 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.941 -3.154 15.118 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.461 -3.400 16.024 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.136 -5.795 15.272 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.650 -4.780 16.605 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.301 -6.536 17.539 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.360 -5.061 17.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.222 -7.152 16.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.991 -5.720 15.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.081 -6.896 15.324 1.00 0.00 H new ATOM 631 N GLY A 102 6.436 -4.307 11.340 1.00 0.00 N ATOM 632 CA GLY A 102 5.642 -4.792 10.225 1.00 0.00 C ATOM 633 C GLY A 102 4.237 -5.178 10.640 1.00 0.00 C ATOM 634 O GLY A 102 3.793 -6.299 10.387 1.00 0.00 O ATOM 0 H GLY A 102 6.027 -3.522 11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.592 -4.021 9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.136 -5.655 9.779 1.00 0.00 H new ATOM 638 N VAL A 103 3.533 -4.250 11.280 1.00 0.00 N ATOM 639 CA VAL A 103 2.169 -4.499 11.731 1.00 0.00 C ATOM 640 C VAL A 103 1.235 -3.371 11.307 1.00 0.00 C ATOM 641 O VAL A 103 0.050 -3.375 11.639 1.00 0.00 O ATOM 642 CB VAL A 103 2.105 -4.657 13.262 1.00 0.00 C ATOM 643 CG1 VAL A 103 2.856 -5.904 13.703 1.00 0.00 C ATOM 644 CG2 VAL A 103 2.661 -3.419 13.949 1.00 0.00 C ATOM 0 H VAL A 103 3.885 -3.318 11.498 1.00 0.00 H new ATOM 0 HA VAL A 103 1.845 -5.429 11.263 1.00 0.00 H new ATOM 0 HB VAL A 103 1.061 -4.769 13.554 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.799 -5.998 14.787 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.408 -6.782 13.238 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.900 -5.826 13.400 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.608 -3.548 15.030 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.699 -3.273 13.651 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.075 -2.547 13.658 1.00 0.00 H new ATOM 654 N PHE A 104 1.778 -2.406 10.572 1.00 0.00 N ATOM 655 CA PHE A 104 0.993 -1.270 10.102 1.00 0.00 C ATOM 656 C PHE A 104 1.654 -0.615 8.893 1.00 0.00 C ATOM 657 O PHE A 104 2.812 -0.890 8.581 1.00 0.00 O ATOM 658 CB PHE A 104 0.822 -0.243 11.223 1.00 0.00 C ATOM 659 CG PHE A 104 2.069 0.545 11.510 1.00 0.00 C ATOM 660 CD1 PHE A 104 2.438 1.603 10.695 1.00 0.00 C ATOM 661 CD2 PHE A 104 2.871 0.226 12.593 1.00 0.00 C ATOM 662 CE1 PHE A 104 3.584 2.330 10.956 1.00 0.00 C ATOM 663 CE2 PHE A 104 4.018 0.950 12.859 1.00 0.00 C ATOM 664 CZ PHE A 104 4.376 2.002 12.039 1.00 0.00 C ATOM 0 H PHE A 104 2.758 -2.388 10.289 1.00 0.00 H new ATOM 0 HA PHE A 104 0.012 -1.637 9.802 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.020 0.445 10.955 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.510 -0.758 12.132 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.823 1.863 9.846 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.597 -0.597 13.236 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.860 3.153 10.314 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.634 0.693 13.708 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.273 2.567 12.244 1.00 0.00 H new ATOM 674 N ALA A 105 0.909 0.252 8.216 1.00 0.00 N ATOM 675 CA ALA A 105 1.422 0.948 7.043 1.00 0.00 C ATOM 676 C ALA A 105 0.576 2.174 6.718 1.00 0.00 C ATOM 677 O ALA A 105 -0.631 2.189 6.960 1.00 0.00 O ATOM 678 CB ALA A 105 1.468 0.005 5.849 1.00 0.00 C ATOM 0 H ALA A 105 -0.053 0.489 8.460 1.00 0.00 H new ATOM 0 HA ALA A 105 2.434 1.286 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.853 0.538 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.120 -0.838 6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.464 -0.361 5.635 1.00 0.00 H new ATOM 684 N ILE A 106 1.217 3.201 6.171 1.00 0.00 N ATOM 685 CA ILE A 106 0.523 4.432 5.814 1.00 0.00 C ATOM 686 C ILE A 106 0.144 4.441 4.337 1.00 0.00 C ATOM 687 O ILE A 106 0.948 4.807 3.480 1.00 0.00 O ATOM 688 CB ILE A 106 1.384 5.673 6.118 1.00 0.00 C ATOM 689 CG1 ILE A 106 2.086 5.514 7.468 1.00 0.00 C ATOM 690 CG2 ILE A 106 0.525 6.929 6.106 1.00 0.00 C ATOM 691 CD1 ILE A 106 1.132 5.341 8.629 1.00 0.00 C ATOM 0 H ILE A 106 2.216 3.205 5.965 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.382 4.470 6.420 1.00 0.00 H new ATOM 0 HB ILE A 106 2.144 5.769 5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.751 4.651 7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.711 6.389 7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.147 7.797 6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.066 7.047 5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.255 6.844 6.863 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.700 5.234 9.553 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.483 6.214 8.700 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.525 4.450 8.471 1.00 0.00 H new ATOM 703 N VAL A 107 -1.088 4.035 4.046 1.00 0.00 N ATOM 704 CA VAL A 107 -1.577 3.999 2.672 1.00 0.00 C ATOM 705 C VAL A 107 -1.929 5.397 2.177 1.00 0.00 C ATOM 706 O VAL A 107 -2.547 6.182 2.895 1.00 0.00 O ATOM 707 CB VAL A 107 -2.815 3.092 2.541 1.00 0.00 C ATOM 708 CG1 VAL A 107 -3.515 3.334 1.212 1.00 0.00 C ATOM 709 CG2 VAL A 107 -2.421 1.630 2.687 1.00 0.00 C ATOM 0 H VAL A 107 -1.766 3.726 4.743 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.772 3.593 2.060 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.512 3.339 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.387 2.685 1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.831 4.375 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.828 3.116 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.308 1.003 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.705 1.367 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.968 1.471 3.665 1.00 0.00 H new ATOM 719 N GLU A 108 -1.533 5.700 0.945 1.00 0.00 N ATOM 720 CA GLU A 108 -1.807 7.004 0.354 1.00 0.00 C ATOM 721 C GLU A 108 -2.763 6.875 -0.829 1.00 0.00 C ATOM 722 O GLU A 108 -2.598 6.003 -1.681 1.00 0.00 O ATOM 723 CB GLU A 108 -0.505 7.668 -0.099 1.00 0.00 C ATOM 724 CG GLU A 108 -0.549 9.187 -0.055 1.00 0.00 C ATOM 725 CD GLU A 108 -1.130 9.790 -1.319 1.00 0.00 C ATOM 726 OE1 GLU A 108 -2.035 9.166 -1.912 1.00 0.00 O ATOM 727 OE2 GLU A 108 -0.679 10.885 -1.716 1.00 0.00 O ATOM 0 H GLU A 108 -1.022 5.060 0.337 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.278 7.627 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.311 7.318 0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.279 7.349 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.144 9.505 0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.459 9.572 0.097 1.00 0.00 H new ATOM 734 N MET A 109 -3.762 7.751 -0.873 1.00 0.00 N ATOM 735 CA MET A 109 -4.744 7.735 -1.952 1.00 0.00 C ATOM 736 C MET A 109 -4.462 8.846 -2.959 1.00 0.00 C ATOM 737 O MET A 109 -4.301 10.007 -2.588 1.00 0.00 O ATOM 738 CB MET A 109 -6.157 7.890 -1.386 1.00 0.00 C ATOM 739 CG MET A 109 -6.574 6.748 -0.473 1.00 0.00 C ATOM 740 SD MET A 109 -6.255 5.128 -1.197 1.00 0.00 S ATOM 741 CE MET A 109 -7.799 4.831 -2.055 1.00 0.00 C ATOM 0 H MET A 109 -3.913 8.480 -0.175 1.00 0.00 H new ATOM 0 HA MET A 109 -4.669 6.776 -2.465 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.217 8.827 -0.833 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.865 7.961 -2.212 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.039 6.831 0.473 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.637 6.838 -0.247 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.221 3.881 -1.727 1.00 0.00 H new ATOM 0 HE2 MET A 109 -8.500 5.635 -1.832 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.617 4.796 -3.129 1.00 0.00 H new ATOM 751 N GLY A 110 -4.404 8.480 -4.236 1.00 0.00 N ATOM 752 CA GLY A 110 -4.142 9.457 -5.276 1.00 0.00 C ATOM 753 C GLY A 110 -4.778 10.801 -4.983 1.00 0.00 C ATOM 754 O GLY A 110 -4.086 11.763 -4.647 1.00 0.00 O ATOM 0 H GLY A 110 -4.534 7.524 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.065 9.585 -5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -4.518 9.080 -6.227 1.00 0.00 H new ATOM 758 N ASP A 111 -6.098 10.870 -5.111 1.00 0.00 N ATOM 759 CA ASP A 111 -6.828 12.107 -4.858 1.00 0.00 C ATOM 760 C ASP A 111 -7.615 12.017 -3.554 1.00 0.00 C ATOM 761 O ASP A 111 -7.592 10.992 -2.872 1.00 0.00 O ATOM 762 CB ASP A 111 -7.775 12.413 -6.019 1.00 0.00 C ATOM 763 CG ASP A 111 -7.033 12.749 -7.298 1.00 0.00 C ATOM 764 OD1 ASP A 111 -6.495 11.819 -7.933 1.00 0.00 O ATOM 765 OD2 ASP A 111 -6.990 13.943 -7.663 1.00 0.00 O ATOM 0 H ASP A 111 -6.685 10.083 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.102 12.915 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.422 11.553 -6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.421 13.248 -5.747 1.00 0.00 H new ATOM 770 N VAL A 112 -8.310 13.096 -3.212 1.00 0.00 N ATOM 771 CA VAL A 112 -9.104 13.139 -1.990 1.00 0.00 C ATOM 772 C VAL A 112 -10.356 12.278 -2.118 1.00 0.00 C ATOM 773 O VAL A 112 -10.674 11.492 -1.226 1.00 0.00 O ATOM 774 CB VAL A 112 -9.520 14.581 -1.641 1.00 0.00 C ATOM 775 CG1 VAL A 112 -10.306 15.202 -2.786 1.00 0.00 C ATOM 776 CG2 VAL A 112 -10.329 14.605 -0.353 1.00 0.00 C ATOM 0 H VAL A 112 -8.340 13.953 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.476 12.746 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.618 15.174 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.591 16.220 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.688 15.220 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.203 14.611 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.614 15.631 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.226 13.998 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.727 14.203 0.462 1.00 0.00 H new ATOM 786 N GLY A 113 -11.062 12.431 -3.234 1.00 0.00 N ATOM 787 CA GLY A 113 -12.271 11.660 -3.458 1.00 0.00 C ATOM 788 C GLY A 113 -12.086 10.188 -3.147 1.00 0.00 C ATOM 789 O GLY A 113 -12.942 9.568 -2.517 1.00 0.00 O ATOM 0 H GLY A 113 -10.818 13.075 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.074 12.061 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.583 11.772 -4.496 1.00 0.00 H new ATOM 793 N ALA A 114 -10.966 9.627 -3.591 1.00 0.00 N ATOM 794 CA ALA A 114 -10.672 8.219 -3.356 1.00 0.00 C ATOM 795 C ALA A 114 -10.632 7.908 -1.863 1.00 0.00 C ATOM 796 O ALA A 114 -11.161 6.890 -1.418 1.00 0.00 O ATOM 797 CB ALA A 114 -9.352 7.839 -4.011 1.00 0.00 C ATOM 0 H ALA A 114 -10.248 10.126 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.471 7.627 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.145 6.785 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.415 8.015 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.549 8.445 -3.590 1.00 0.00 H new ATOM 803 N ARG A 115 -10.002 8.792 -1.096 1.00 0.00 N ATOM 804 CA ARG A 115 -9.892 8.610 0.346 1.00 0.00 C ATOM 805 C ARG A 115 -11.264 8.687 1.010 1.00 0.00 C ATOM 806 O ARG A 115 -11.610 7.847 1.840 1.00 0.00 O ATOM 807 CB ARG A 115 -8.963 9.667 0.946 1.00 0.00 C ATOM 808 CG ARG A 115 -8.796 9.548 2.452 1.00 0.00 C ATOM 809 CD ARG A 115 -7.708 10.477 2.967 1.00 0.00 C ATOM 810 NE ARG A 115 -8.236 11.789 3.332 1.00 0.00 N ATOM 811 CZ ARG A 115 -8.857 12.039 4.479 1.00 0.00 C ATOM 812 NH1 ARG A 115 -9.026 11.070 5.369 1.00 0.00 N ATOM 813 NH2 ARG A 115 -9.310 13.259 4.739 1.00 0.00 N ATOM 0 H ARG A 115 -9.560 9.641 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.473 7.621 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.984 9.588 0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.353 10.657 0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.740 9.784 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.550 8.518 2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.227 10.026 3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.940 10.595 2.202 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.121 12.556 2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.679 10.131 5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.503 11.264 6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.182 14.007 4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -9.787 13.449 5.621 1.00 0.00 H new ATOM 827 N GLU A 116 -12.039 9.702 0.639 1.00 0.00 N ATOM 828 CA GLU A 116 -13.372 9.889 1.200 1.00 0.00 C ATOM 829 C GLU A 116 -14.177 8.594 1.133 1.00 0.00 C ATOM 830 O GLU A 116 -14.831 8.207 2.101 1.00 0.00 O ATOM 831 CB GLU A 116 -14.111 11.002 0.454 1.00 0.00 C ATOM 832 CG GLU A 116 -13.691 12.400 0.874 1.00 0.00 C ATOM 833 CD GLU A 116 -14.358 12.849 2.160 1.00 0.00 C ATOM 834 OE1 GLU A 116 -14.545 12.001 3.058 1.00 0.00 O ATOM 835 OE2 GLU A 116 -14.695 14.046 2.267 1.00 0.00 O ATOM 0 H GLU A 116 -11.767 10.406 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.262 10.174 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.939 10.886 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.182 10.889 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.609 12.427 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.935 13.103 0.078 1.00 0.00 H new ATOM 842 N ALA A 117 -14.124 7.931 -0.017 1.00 0.00 N ATOM 843 CA ALA A 117 -14.847 6.679 -0.211 1.00 0.00 C ATOM 844 C ALA A 117 -14.469 5.656 0.855 1.00 0.00 C ATOM 845 O ALA A 117 -15.321 5.185 1.608 1.00 0.00 O ATOM 846 CB ALA A 117 -14.574 6.122 -1.600 1.00 0.00 C ATOM 0 H ALA A 117 -13.588 8.239 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.913 6.885 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -15.120 5.188 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -14.900 6.841 -2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -13.506 5.937 -1.714 1.00 0.00 H new ATOM 852 N VAL A 118 -13.185 5.316 0.913 1.00 0.00 N ATOM 853 CA VAL A 118 -12.694 4.349 1.887 1.00 0.00 C ATOM 854 C VAL A 118 -13.290 4.607 3.266 1.00 0.00 C ATOM 855 O VAL A 118 -13.850 3.705 3.891 1.00 0.00 O ATOM 856 CB VAL A 118 -11.157 4.385 1.989 1.00 0.00 C ATOM 857 CG1 VAL A 118 -10.669 3.416 3.054 1.00 0.00 C ATOM 858 CG2 VAL A 118 -10.527 4.070 0.641 1.00 0.00 C ATOM 0 H VAL A 118 -12.466 5.696 0.297 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.004 3.364 1.539 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.853 5.390 2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.581 3.456 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -11.093 3.692 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -10.982 2.404 2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.441 4.100 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.837 3.076 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.851 4.808 -0.093 1.00 0.00 H new ATOM 868 N LEU A 119 -13.166 5.843 3.736 1.00 0.00 N ATOM 869 CA LEU A 119 -13.693 6.221 5.043 1.00 0.00 C ATOM 870 C LEU A 119 -15.210 6.059 5.086 1.00 0.00 C ATOM 871 O LEU A 119 -15.789 5.830 6.147 1.00 0.00 O ATOM 872 CB LEU A 119 -13.314 7.667 5.368 1.00 0.00 C ATOM 873 CG LEU A 119 -11.882 7.892 5.854 1.00 0.00 C ATOM 874 CD1 LEU A 119 -11.506 9.362 5.745 1.00 0.00 C ATOM 875 CD2 LEU A 119 -11.722 7.404 7.287 1.00 0.00 C ATOM 0 H LEU A 119 -12.705 6.601 3.232 1.00 0.00 H new ATOM 0 HA LEU A 119 -13.254 5.560 5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.473 8.273 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.998 8.038 6.131 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.209 7.317 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.484 9.503 6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.580 9.680 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.184 9.957 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.697 7.572 7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -12.406 7.951 7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.949 6.339 7.336 1.00 0.00 H new ATOM 887 N SER A 120 -15.845 6.178 3.925 1.00 0.00 N ATOM 888 CA SER A 120 -17.295 6.046 3.830 1.00 0.00 C ATOM 889 C SER A 120 -17.683 4.647 3.361 1.00 0.00 C ATOM 890 O SER A 120 -18.583 4.486 2.537 1.00 0.00 O ATOM 891 CB SER A 120 -17.861 7.094 2.870 1.00 0.00 C ATOM 892 OG SER A 120 -19.203 7.412 3.196 1.00 0.00 O ATOM 0 H SER A 120 -15.379 6.365 3.037 1.00 0.00 H new ATOM 0 HA SER A 120 -17.716 6.207 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.250 7.996 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 120 -17.811 6.720 1.847 1.00 0.00 H new ATOM 0 HG SER A 120 -19.541 8.085 2.569 1.00 0.00 H new ATOM 898 N GLN A 121 -16.998 3.640 3.893 1.00 0.00 N ATOM 899 CA GLN A 121 -17.271 2.255 3.529 1.00 0.00 C ATOM 900 C GLN A 121 -17.957 1.516 4.674 1.00 0.00 C ATOM 901 O GLN A 121 -17.774 1.855 5.842 1.00 0.00 O ATOM 902 CB GLN A 121 -15.973 1.540 3.150 1.00 0.00 C ATOM 903 CG GLN A 121 -16.165 0.429 2.131 1.00 0.00 C ATOM 904 CD GLN A 121 -15.088 -0.634 2.216 1.00 0.00 C ATOM 905 OE1 GLN A 121 -14.007 -0.485 1.645 1.00 0.00 O ATOM 906 NE2 GLN A 121 -15.377 -1.715 2.931 1.00 0.00 N ATOM 0 H GLN A 121 -16.250 3.757 4.577 1.00 0.00 H new ATOM 0 HA GLN A 121 -17.941 2.257 2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -15.269 2.270 2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.522 1.122 4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -17.140 -0.034 2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -16.169 0.857 1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -16.286 -1.797 3.387 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -14.690 -2.464 3.024 1.00 0.00 H new ATOM 915 N SER A 122 -18.748 0.505 4.329 1.00 0.00 N ATOM 916 CA SER A 122 -19.465 -0.279 5.327 1.00 0.00 C ATOM 917 C SER A 122 -18.492 -1.057 6.209 1.00 0.00 C ATOM 918 O SER A 122 -18.259 -0.695 7.362 1.00 0.00 O ATOM 919 CB SER A 122 -20.437 -1.245 4.646 1.00 0.00 C ATOM 920 OG SER A 122 -21.594 -0.566 4.189 1.00 0.00 O ATOM 0 H SER A 122 -18.908 0.210 3.366 1.00 0.00 H new ATOM 0 HA SER A 122 -20.029 0.409 5.957 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.942 -1.732 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.725 -2.030 5.345 1.00 0.00 H new ATOM 0 HG SER A 122 -22.198 -1.205 3.756 1.00 0.00 H new ATOM 926 N GLN A 123 -17.928 -2.126 5.657 1.00 0.00 N ATOM 927 CA GLN A 123 -16.981 -2.955 6.392 1.00 0.00 C ATOM 928 C GLN A 123 -15.741 -3.242 5.552 1.00 0.00 C ATOM 929 O GLN A 123 -15.841 -3.710 4.418 1.00 0.00 O ATOM 930 CB GLN A 123 -17.641 -4.270 6.813 1.00 0.00 C ATOM 931 CG GLN A 123 -18.585 -4.125 7.996 1.00 0.00 C ATOM 932 CD GLN A 123 -19.254 -5.433 8.372 1.00 0.00 C ATOM 933 OE1 GLN A 123 -19.414 -6.324 7.537 1.00 0.00 O ATOM 934 NE2 GLN A 123 -19.650 -5.554 9.633 1.00 0.00 N ATOM 0 H GLN A 123 -18.110 -2.438 4.703 1.00 0.00 H new ATOM 0 HA GLN A 123 -16.675 -2.408 7.284 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -18.193 -4.677 5.966 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -16.865 -4.992 7.065 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -18.031 -3.745 8.854 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -19.349 -3.386 7.758 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -19.497 -4.790 10.291 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -20.107 -6.411 9.944 1.00 0.00 H new ATOM 943 N HIS A 124 -14.571 -2.957 6.116 1.00 0.00 N ATOM 944 CA HIS A 124 -13.311 -3.184 5.418 1.00 0.00 C ATOM 945 C HIS A 124 -12.798 -4.599 5.670 1.00 0.00 C ATOM 946 O HIS A 124 -12.715 -5.045 6.814 1.00 0.00 O ATOM 947 CB HIS A 124 -12.264 -2.163 5.866 1.00 0.00 C ATOM 948 CG HIS A 124 -12.515 -0.781 5.345 1.00 0.00 C ATOM 949 ND1 HIS A 124 -12.791 -0.515 4.021 1.00 0.00 N ATOM 950 CD2 HIS A 124 -12.530 0.415 5.979 1.00 0.00 C ATOM 951 CE1 HIS A 124 -12.965 0.785 3.862 1.00 0.00 C ATOM 952 NE2 HIS A 124 -12.812 1.372 5.036 1.00 0.00 N ATOM 0 H HIS A 124 -14.470 -2.569 7.054 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.490 -3.065 4.349 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -12.240 -2.133 6.955 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -11.280 -2.494 5.535 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -12.851 -1.213 3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -12.353 0.585 7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -13.193 1.283 2.931 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -12.891 2.373 5.213 1.00 0.00 H new ATOM 960 N SER A 125 -12.456 -5.299 4.593 1.00 0.00 N ATOM 961 CA SER A 125 -11.956 -6.665 4.696 1.00 0.00 C ATOM 962 C SER A 125 -11.136 -7.038 3.465 1.00 0.00 C ATOM 963 O SER A 125 -11.389 -6.548 2.364 1.00 0.00 O ATOM 964 CB SER A 125 -13.119 -7.645 4.865 1.00 0.00 C ATOM 965 OG SER A 125 -13.895 -7.724 3.681 1.00 0.00 O ATOM 0 H SER A 125 -12.516 -4.943 3.639 1.00 0.00 H new ATOM 0 HA SER A 125 -11.310 -6.724 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 125 -12.733 -8.633 5.117 1.00 0.00 H new ATOM 0 HB3 SER A 125 -13.749 -7.327 5.696 1.00 0.00 H new ATOM 0 HG SER A 125 -14.631 -8.358 3.814 1.00 0.00 H new ATOM 971 N LEU A 126 -10.152 -7.909 3.660 1.00 0.00 N ATOM 972 CA LEU A 126 -9.293 -8.349 2.566 1.00 0.00 C ATOM 973 C LEU A 126 -9.640 -9.772 2.140 1.00 0.00 C ATOM 974 O LEU A 126 -9.932 -10.027 0.973 1.00 0.00 O ATOM 975 CB LEU A 126 -7.823 -8.274 2.984 1.00 0.00 C ATOM 976 CG LEU A 126 -6.798 -8.356 1.852 1.00 0.00 C ATOM 977 CD1 LEU A 126 -6.732 -7.039 1.095 1.00 0.00 C ATOM 978 CD2 LEU A 126 -5.428 -8.729 2.399 1.00 0.00 C ATOM 0 H LEU A 126 -9.929 -8.324 4.565 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.458 -7.685 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.666 -7.339 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.624 -9.083 3.687 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.114 -9.135 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.997 -7.116 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.710 -6.814 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.441 -6.241 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.711 -8.783 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.104 -7.974 3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.486 -9.698 2.895 1.00 0.00 H new ATOM 990 N GLY A 127 -9.607 -10.696 3.096 1.00 0.00 N ATOM 991 CA GLY A 127 -9.922 -12.081 2.800 1.00 0.00 C ATOM 992 C GLY A 127 -9.822 -12.972 4.022 1.00 0.00 C ATOM 993 O GLY A 127 -8.900 -13.779 4.137 1.00 0.00 O ATOM 0 H GLY A 127 -9.368 -10.510 4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -10.931 -12.142 2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -9.244 -12.448 2.030 1.00 0.00 H new ATOM 997 N GLY A 128 -10.772 -12.825 4.940 1.00 0.00 N ATOM 998 CA GLY A 128 -10.768 -13.628 6.149 1.00 0.00 C ATOM 999 C GLY A 128 -10.534 -12.798 7.396 1.00 0.00 C ATOM 1000 O GLY A 128 -11.139 -13.048 8.439 1.00 0.00 O ATOM 0 H GLY A 128 -11.545 -12.164 4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -11.721 -14.150 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.992 -14.390 6.073 1.00 0.00 H new ATOM 1004 N HIS A 129 -9.653 -11.809 7.290 1.00 0.00 N ATOM 1005 CA HIS A 129 -9.340 -10.940 8.419 1.00 0.00 C ATOM 1006 C HIS A 129 -9.916 -9.543 8.205 1.00 0.00 C ATOM 1007 O HIS A 129 -10.435 -9.233 7.133 1.00 0.00 O ATOM 1008 CB HIS A 129 -7.827 -10.855 8.619 1.00 0.00 C ATOM 1009 CG HIS A 129 -7.236 -12.077 9.253 1.00 0.00 C ATOM 1010 ND1 HIS A 129 -6.786 -12.106 10.556 1.00 0.00 N ATOM 1011 CD2 HIS A 129 -7.026 -13.318 8.755 1.00 0.00 C ATOM 1012 CE1 HIS A 129 -6.322 -13.312 10.832 1.00 0.00 C ATOM 1013 NE2 HIS A 129 -6.457 -14.066 9.756 1.00 0.00 N ATOM 0 H HIS A 129 -9.143 -11.589 6.434 1.00 0.00 H new ATOM 0 HA HIS A 129 -9.794 -11.368 9.313 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -7.350 -10.690 7.653 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -7.599 -9.988 9.239 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -7.262 -13.657 7.757 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -5.904 -13.627 11.776 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -6.183 -15.046 9.681 1.00 0.00 H new ATOM 1021 N ARG A 130 -9.822 -8.706 9.233 1.00 0.00 N ATOM 1022 CA ARG A 130 -10.336 -7.344 9.159 1.00 0.00 C ATOM 1023 C ARG A 130 -9.194 -6.334 9.110 1.00 0.00 C ATOM 1024 O ARG A 130 -8.126 -6.560 9.681 1.00 0.00 O ATOM 1025 CB ARG A 130 -11.240 -7.051 10.358 1.00 0.00 C ATOM 1026 CG ARG A 130 -12.660 -7.567 10.191 1.00 0.00 C ATOM 1027 CD ARG A 130 -13.404 -6.810 9.102 1.00 0.00 C ATOM 1028 NE ARG A 130 -14.789 -7.255 8.975 1.00 0.00 N ATOM 1029 CZ ARG A 130 -15.750 -6.919 9.830 1.00 0.00 C ATOM 1030 NH1 ARG A 130 -15.476 -6.140 10.867 1.00 0.00 N ATOM 1031 NH2 ARG A 130 -16.987 -7.363 9.647 1.00 0.00 N ATOM 0 H ARG A 130 -9.395 -8.947 10.127 1.00 0.00 H new ATOM 0 HA ARG A 130 -10.919 -7.252 8.243 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.802 -7.499 11.250 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -11.271 -5.974 10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -12.636 -8.629 9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -13.197 -7.470 11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.385 -5.743 9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.891 -6.946 8.150 1.00 0.00 H new ATOM 0 HE ARG A 130 -15.032 -7.856 8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.526 -5.797 11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -16.215 -5.884 11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -17.201 -7.962 8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -17.724 -7.105 10.303 1.00 0.00 H new ATOM 1045 N LEU A 131 -9.425 -5.219 8.425 1.00 0.00 N ATOM 1046 CA LEU A 131 -8.415 -4.174 8.302 1.00 0.00 C ATOM 1047 C LEU A 131 -8.838 -2.916 9.054 1.00 0.00 C ATOM 1048 O LEU A 131 -9.831 -2.277 8.705 1.00 0.00 O ATOM 1049 CB LEU A 131 -8.173 -3.843 6.828 1.00 0.00 C ATOM 1050 CG LEU A 131 -7.544 -4.953 5.985 1.00 0.00 C ATOM 1051 CD1 LEU A 131 -7.523 -4.561 4.516 1.00 0.00 C ATOM 1052 CD2 LEU A 131 -6.137 -5.263 6.476 1.00 0.00 C ATOM 0 H LEU A 131 -10.303 -5.016 7.947 1.00 0.00 H new ATOM 0 HA LEU A 131 -7.489 -4.544 8.742 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -9.126 -3.568 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -7.530 -2.965 6.774 1.00 0.00 H new ATOM 0 HG LEU A 131 -8.151 -5.852 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -7.072 -5.363 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -8.543 -4.390 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.939 -3.649 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -5.705 -6.055 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.520 -4.368 6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -6.178 -5.588 7.516 1.00 0.00 H new ATOM 1064 N ARG A 132 -8.078 -2.567 10.087 1.00 0.00 N ATOM 1065 CA ARG A 132 -8.374 -1.385 10.888 1.00 0.00 C ATOM 1066 C ARG A 132 -7.996 -0.111 10.138 1.00 0.00 C ATOM 1067 O ARG A 132 -6.941 0.475 10.381 1.00 0.00 O ATOM 1068 CB ARG A 132 -7.625 -1.446 12.221 1.00 0.00 C ATOM 1069 CG ARG A 132 -8.107 -0.424 13.237 1.00 0.00 C ATOM 1070 CD ARG A 132 -9.433 -0.837 13.857 1.00 0.00 C ATOM 1071 NE ARG A 132 -10.573 -0.368 13.073 1.00 0.00 N ATOM 1072 CZ ARG A 132 -10.940 0.906 13.000 1.00 0.00 C ATOM 1073 NH1 ARG A 132 -10.261 1.834 13.659 1.00 0.00 N ATOM 1074 NH2 ARG A 132 -11.989 1.254 12.265 1.00 0.00 N ATOM 0 H ARG A 132 -7.253 -3.086 10.389 1.00 0.00 H new ATOM 0 HA ARG A 132 -9.447 -1.367 11.082 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -7.733 -2.445 12.644 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -6.562 -1.291 12.038 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -7.358 -0.307 14.021 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -8.217 0.547 12.754 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -9.472 -1.923 13.940 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -9.500 -0.438 14.869 1.00 0.00 H new ATOM 0 HE ARG A 132 -11.117 -1.057 12.553 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -9.454 1.570 14.224 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -10.545 2.812 13.601 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -12.514 0.543 11.756 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -12.271 2.233 12.209 1.00 0.00 H new ATOM 1088 N VAL A 133 -8.863 0.311 9.224 1.00 0.00 N ATOM 1089 CA VAL A 133 -8.621 1.515 8.438 1.00 0.00 C ATOM 1090 C VAL A 133 -8.985 2.768 9.227 1.00 0.00 C ATOM 1091 O VAL A 133 -10.080 2.870 9.780 1.00 0.00 O ATOM 1092 CB VAL A 133 -9.424 1.498 7.124 1.00 0.00 C ATOM 1093 CG1 VAL A 133 -9.067 2.702 6.265 1.00 0.00 C ATOM 1094 CG2 VAL A 133 -9.179 0.202 6.367 1.00 0.00 C ATOM 0 H VAL A 133 -9.740 -0.163 9.009 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.556 1.532 8.204 1.00 0.00 H new ATOM 0 HB VAL A 133 -10.485 1.556 7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -9.644 2.673 5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -9.298 3.618 6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -8.003 2.678 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -9.754 0.207 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -8.118 0.111 6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -9.489 -0.643 6.982 1.00 0.00 H new ATOM 1104 N ARG A 134 -8.059 3.720 9.274 1.00 0.00 N ATOM 1105 CA ARG A 134 -8.282 4.967 9.996 1.00 0.00 C ATOM 1106 C ARG A 134 -7.688 6.149 9.235 1.00 0.00 C ATOM 1107 O ARG A 134 -6.743 6.008 8.459 1.00 0.00 O ATOM 1108 CB ARG A 134 -7.669 4.888 11.395 1.00 0.00 C ATOM 1109 CG ARG A 134 -6.162 5.088 11.412 1.00 0.00 C ATOM 1110 CD ARG A 134 -5.797 6.558 11.553 1.00 0.00 C ATOM 1111 NE ARG A 134 -4.426 6.738 12.022 1.00 0.00 N ATOM 1112 CZ ARG A 134 -3.962 7.882 12.512 1.00 0.00 C ATOM 1113 NH1 ARG A 134 -4.755 8.941 12.597 1.00 0.00 N ATOM 1114 NH2 ARG A 134 -2.701 7.969 12.918 1.00 0.00 N ATOM 0 H ARG A 134 -7.148 3.652 8.821 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.358 5.118 10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.134 5.642 12.029 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -7.903 3.917 11.831 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -5.728 4.523 12.237 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.731 4.691 10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -5.920 7.056 10.591 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.485 7.037 12.250 1.00 0.00 H new ATOM 0 HE ARG A 134 -3.790 5.942 11.971 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.724 8.879 12.286 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -4.396 9.818 12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -2.087 7.157 12.854 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -2.346 8.848 13.294 1.00 0.00 H new ATOM 1128 N PRO A 135 -8.255 7.344 9.461 1.00 0.00 N ATOM 1129 CA PRO A 135 -7.798 8.573 8.806 1.00 0.00 C ATOM 1130 C PRO A 135 -6.492 9.094 9.398 1.00 0.00 C ATOM 1131 O PRO A 135 -6.467 9.605 10.518 1.00 0.00 O ATOM 1132 CB PRO A 135 -8.937 9.561 9.072 1.00 0.00 C ATOM 1133 CG PRO A 135 -9.560 9.088 10.340 1.00 0.00 C ATOM 1134 CD PRO A 135 -9.385 7.586 10.373 1.00 0.00 C ATOM 0 HA PRO A 135 -7.589 8.417 7.748 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -8.562 10.580 9.171 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -9.657 9.564 8.254 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -9.083 9.553 11.203 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -10.616 9.356 10.377 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -9.169 7.230 11.381 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -10.286 7.071 10.039 1.00 0.00 H new ATOM 1142 N ARG A 136 -5.410 8.961 8.638 1.00 0.00 N ATOM 1143 CA ARG A 136 -4.100 9.418 9.088 1.00 0.00 C ATOM 1144 C ARG A 136 -4.121 10.913 9.394 1.00 0.00 C ATOM 1145 O ARG A 136 -4.280 11.738 8.495 1.00 0.00 O ATOM 1146 CB ARG A 136 -3.040 9.119 8.027 1.00 0.00 C ATOM 1147 CG ARG A 136 -1.647 8.914 8.599 1.00 0.00 C ATOM 1148 CD ARG A 136 -0.879 10.225 8.677 1.00 0.00 C ATOM 1149 NE ARG A 136 0.562 10.024 8.544 1.00 0.00 N ATOM 1150 CZ ARG A 136 1.402 10.971 8.141 1.00 0.00 C ATOM 1151 NH1 ARG A 136 0.947 12.178 7.834 1.00 0.00 N ATOM 1152 NH2 ARG A 136 2.699 10.711 8.045 1.00 0.00 N ATOM 0 H ARG A 136 -5.414 8.541 7.709 1.00 0.00 H new ATOM 0 HA ARG A 136 -3.850 8.881 10.003 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -3.332 8.225 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.012 9.941 7.311 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.722 8.475 9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.098 8.206 7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.226 10.896 7.891 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.091 10.713 9.628 1.00 0.00 H new ATOM 0 HE ARG A 136 0.944 9.106 8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.050 12.381 7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 136 1.594 12.903 7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 136 3.052 9.784 8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 136 3.343 11.439 7.735 1.00 0.00 H new