USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 616 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 64 MET CE :methyl -156:sc= -1.74 (180deg=-1.92) USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= -2.27 F(o=-5.2!,f=-4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.469 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0222 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 21 GLN : amide:sc= 0.194 K(o=0.19,f=-4.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0691 USER MOD Single : A 28 SER OG : rot 180:sc=-0.000572 USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0114) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 34 CYS SG : rot -160:sc= -0.0763 USER MOD Single : A 36 GLN : amide:sc= -0.405 X(o=-0.4,f=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.23 F(o=-2.3!,f=-1.2) USER MOD Single : A 39 ASN : amide:sc=-0.00446 X(o=-0.0045,f=-0.35) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.672) USER MOD Single : A 54 MET CE :methyl -169:sc= -2.67 (180deg=-3.13) USER MOD Single : A 56 SER OG : rot 86:sc= 1.21 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.446 X(o=-0.45,f=0) USER MOD Single : A 74 CYS SG : rot 85:sc= 0.312 USER MOD Single : A 77 MET CE :methyl 158:sc= -3.98! (180deg=-6.74!) USER MOD Single : A 80 ASN : amide:sc= 0.824 K(o=0.82,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N VAL A 8 -2.302 -10.179 5.925 1.00 0.00 N ATOM 99 CA VAL A 8 -2.962 -8.937 5.573 1.00 0.00 C ATOM 100 C VAL A 8 -3.957 -8.531 6.664 1.00 0.00 C ATOM 101 O VAL A 8 -5.179 -8.525 6.488 1.00 0.00 O ATOM 102 CB VAL A 8 -3.548 -9.076 4.156 1.00 0.00 C ATOM 103 CG1 VAL A 8 -2.419 -9.166 3.118 1.00 0.00 C ATOM 104 CG2 VAL A 8 -4.435 -10.327 4.032 1.00 0.00 C ATOM 0 HA VAL A 8 -2.260 -8.104 5.530 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.158 -8.192 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.848 -9.264 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.810 -8.263 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.797 -10.035 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.831 -10.393 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.843 -11.216 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.260 -10.260 4.741 1.00 0.00 H new ATOM 114 N LYS A 9 -3.408 -8.153 7.814 1.00 0.00 N ATOM 115 CA LYS A 9 -4.129 -7.866 9.055 1.00 0.00 C ATOM 116 C LYS A 9 -4.071 -6.377 9.445 1.00 0.00 C ATOM 117 O LYS A 9 -4.297 -6.040 10.607 1.00 0.00 O ATOM 118 CB LYS A 9 -3.690 -8.799 10.179 1.00 0.00 C ATOM 119 CG LYS A 9 -2.174 -8.756 10.370 1.00 0.00 C ATOM 120 CD LYS A 9 -1.670 -10.184 10.369 1.00 0.00 C ATOM 121 CE LYS A 9 -0.150 -10.130 10.560 1.00 0.00 C ATOM 122 NZ LYS A 9 0.435 -11.418 10.971 1.00 0.00 N ATOM 0 H LYS A 9 -2.400 -8.032 7.913 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.184 -8.071 8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.185 -8.513 11.107 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.002 -9.818 9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.704 -8.184 9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.920 -8.261 11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.138 -10.757 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.922 -10.680 9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.315 -9.810 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.088 -9.376 11.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.464 -11.312 11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.018 -11.716 11.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.237 -12.136 10.245 1.00 0.00 H new ATOM 136 N CYS A 10 -3.767 -5.500 8.482 1.00 0.00 N ATOM 137 CA CYS A 10 -3.575 -4.058 8.604 1.00 0.00 C ATOM 138 C CYS A 10 -2.262 -3.739 9.328 1.00 0.00 C ATOM 139 O CYS A 10 -1.816 -4.464 10.217 1.00 0.00 O ATOM 140 CB CYS A 10 -4.849 -3.386 9.163 1.00 0.00 C ATOM 141 SG CYS A 10 -4.563 -1.815 10.025 1.00 0.00 S ATOM 0 H CYS A 10 -3.639 -5.811 7.519 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.445 -3.606 7.621 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.542 -3.212 8.340 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.337 -4.078 9.850 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.696 -1.340 10.449 1.00 0.00 H new ATOM 147 N THR A 11 -1.621 -2.650 8.910 1.00 0.00 N ATOM 148 CA THR A 11 -0.266 -2.289 9.291 1.00 0.00 C ATOM 149 C THR A 11 -0.318 -1.008 10.122 1.00 0.00 C ATOM 150 O THR A 11 -0.080 -1.042 11.332 1.00 0.00 O ATOM 151 CB THR A 11 0.597 -2.176 8.017 1.00 0.00 C ATOM 152 OG1 THR A 11 0.000 -1.302 7.078 1.00 0.00 O ATOM 153 CG2 THR A 11 0.716 -3.520 7.300 1.00 0.00 C ATOM 0 H THR A 11 -2.048 -1.975 8.276 1.00 0.00 H new ATOM 0 HA THR A 11 0.201 -3.050 9.915 1.00 0.00 H new ATOM 0 HB THR A 11 1.571 -1.815 8.348 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.565 -1.244 6.279 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.330 -3.403 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.179 -4.248 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.276 -3.869 7.014 1.00 0.00 H new ATOM 161 N SER A 12 -0.703 0.088 9.482 1.00 0.00 N ATOM 162 CA SER A 12 -0.599 1.469 9.915 1.00 0.00 C ATOM 163 C SER A 12 -1.790 2.172 9.286 1.00 0.00 C ATOM 164 O SER A 12 -2.126 1.917 8.124 1.00 0.00 O ATOM 165 CB SER A 12 0.743 1.992 9.403 1.00 0.00 C ATOM 166 OG SER A 12 1.788 1.194 9.939 1.00 0.00 O ATOM 0 H SER A 12 -1.136 0.023 8.561 1.00 0.00 H new ATOM 0 HA SER A 12 -0.622 1.620 10.994 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.768 1.961 8.314 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.877 3.033 9.696 1.00 0.00 H new ATOM 0 HG SER A 12 2.651 1.524 9.613 1.00 0.00 H new ATOM 172 N VAL A 13 -2.496 2.998 10.053 1.00 0.00 N ATOM 173 CA VAL A 13 -3.709 3.617 9.547 1.00 0.00 C ATOM 174 C VAL A 13 -3.425 4.556 8.372 1.00 0.00 C ATOM 175 O VAL A 13 -4.336 4.751 7.575 1.00 0.00 O ATOM 176 CB VAL A 13 -4.518 4.297 10.657 1.00 0.00 C ATOM 177 CG1 VAL A 13 -5.040 3.276 11.680 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.725 5.401 11.371 1.00 0.00 C ATOM 0 H VAL A 13 -2.252 3.249 11.011 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.336 2.814 9.159 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.370 4.767 10.166 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.609 3.793 12.453 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.684 2.554 11.177 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.198 2.756 12.137 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.344 5.850 12.148 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.830 4.972 11.823 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.436 6.166 10.650 1.00 0.00 H new ATOM 188 N VAL A 14 -2.183 5.023 8.187 1.00 0.00 N ATOM 189 CA VAL A 14 -1.750 5.883 7.086 1.00 0.00 C ATOM 190 C VAL A 14 -2.181 5.382 5.699 1.00 0.00 C ATOM 191 O VAL A 14 -2.264 6.170 4.761 1.00 0.00 O ATOM 192 CB VAL A 14 -0.226 6.112 7.198 1.00 0.00 C ATOM 193 CG1 VAL A 14 0.635 4.879 6.921 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.233 7.259 6.310 1.00 0.00 C ATOM 0 H VAL A 14 -1.423 4.800 8.830 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.262 6.840 7.183 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.074 6.364 8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.688 5.140 7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.385 4.093 7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.447 4.524 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.310 7.391 6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.006 7.033 5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.276 8.176 6.608 1.00 0.00 H new ATOM 204 N LEU A 15 -2.486 4.088 5.556 1.00 0.00 N ATOM 205 CA LEU A 15 -3.059 3.511 4.355 1.00 0.00 C ATOM 206 C LEU A 15 -4.524 3.141 4.523 1.00 0.00 C ATOM 207 O LEU A 15 -5.322 3.434 3.628 1.00 0.00 O ATOM 208 CB LEU A 15 -2.247 2.320 3.840 1.00 0.00 C ATOM 209 CG LEU A 15 -1.641 1.316 4.834 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.325 0.046 4.048 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.351 1.834 5.470 1.00 0.00 C ATOM 0 H LEU A 15 -2.334 3.403 6.296 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.011 4.294 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.890 1.758 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.427 2.720 3.243 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.352 1.143 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.891 -0.697 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.242 -0.350 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.616 0.277 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.037 1.089 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.388 2.025 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.557 2.759 6.009 1.00 0.00 H new ATOM 223 N LEU A 16 -4.901 2.487 5.623 1.00 0.00 N ATOM 224 CA LEU A 16 -6.285 2.034 5.818 1.00 0.00 C ATOM 225 C LEU A 16 -7.259 3.211 5.804 1.00 0.00 C ATOM 226 O LEU A 16 -8.339 3.132 5.213 1.00 0.00 O ATOM 227 CB LEU A 16 -6.430 1.267 7.143 1.00 0.00 C ATOM 228 CG LEU A 16 -5.980 -0.203 7.139 1.00 0.00 C ATOM 229 CD1 LEU A 16 -6.672 -1.003 6.036 1.00 0.00 C ATOM 230 CD2 LEU A 16 -4.461 -0.339 7.014 1.00 0.00 C ATOM 0 H LEU A 16 -4.271 2.258 6.392 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.527 1.367 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.860 1.796 7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.477 1.302 7.444 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.277 -0.617 8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.328 -2.037 6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.751 -0.975 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.432 -0.568 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.189 -1.394 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.130 0.120 6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.981 0.161 7.855 1.00 0.00 H new ATOM 242 N SER A 17 -6.847 4.312 6.415 1.00 0.00 N ATOM 243 CA SER A 17 -7.581 5.562 6.487 1.00 0.00 C ATOM 244 C SER A 17 -7.934 6.051 5.074 1.00 0.00 C ATOM 245 O SER A 17 -9.090 6.348 4.786 1.00 0.00 O ATOM 246 CB SER A 17 -6.773 6.578 7.304 1.00 0.00 C ATOM 247 OG SER A 17 -7.608 7.612 7.762 1.00 0.00 O ATOM 0 H SER A 17 -5.949 4.358 6.896 1.00 0.00 H new ATOM 0 HA SER A 17 -8.530 5.421 7.003 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.301 6.080 8.151 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.972 6.993 6.692 1.00 0.00 H new ATOM 0 HG SER A 17 -7.080 8.252 8.283 1.00 0.00 H new ATOM 253 N VAL A 18 -6.983 6.019 4.136 1.00 0.00 N ATOM 254 CA VAL A 18 -7.170 6.429 2.746 1.00 0.00 C ATOM 255 C VAL A 18 -8.248 5.601 2.043 1.00 0.00 C ATOM 256 O VAL A 18 -8.806 6.028 1.036 1.00 0.00 O ATOM 257 CB VAL A 18 -5.841 6.292 1.980 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.902 7.038 0.647 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.636 6.793 2.779 1.00 0.00 C ATOM 0 H VAL A 18 -6.035 5.697 4.331 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.497 7.469 2.752 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.705 5.225 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.952 6.927 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.704 6.625 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.094 8.095 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.730 6.670 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.772 7.847 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.547 6.219 3.701 1.00 0.00 H new ATOM 269 N LEU A 19 -8.544 4.401 2.528 1.00 0.00 N ATOM 270 CA LEU A 19 -9.558 3.558 1.931 1.00 0.00 C ATOM 271 C LEU A 19 -10.907 3.866 2.575 1.00 0.00 C ATOM 272 O LEU A 19 -11.893 4.108 1.869 1.00 0.00 O ATOM 273 CB LEU A 19 -9.115 2.100 2.083 1.00 0.00 C ATOM 274 CG LEU A 19 -8.038 1.589 1.104 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.384 2.620 0.167 1.00 0.00 C ATOM 276 CD2 LEU A 19 -6.970 0.790 1.843 1.00 0.00 C ATOM 0 H LEU A 19 -8.087 3.991 3.343 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.679 3.750 0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.742 1.963 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.995 1.466 1.979 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.606 0.954 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.648 2.122 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.149 3.079 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.892 3.390 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.221 0.440 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.493 1.424 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.432 -0.066 2.335 1.00 0.00 H new ATOM 288 N GLN A 20 -10.955 3.872 3.909 1.00 0.00 N ATOM 289 CA GLN A 20 -12.177 4.109 4.668 1.00 0.00 C ATOM 290 C GLN A 20 -12.648 5.566 4.584 1.00 0.00 C ATOM 291 O GLN A 20 -13.829 5.800 4.840 1.00 0.00 O ATOM 292 CB GLN A 20 -12.003 3.604 6.113 1.00 0.00 C ATOM 293 CG GLN A 20 -11.068 4.453 6.971 1.00 0.00 C ATOM 294 CD GLN A 20 -10.587 3.745 8.245 1.00 0.00 C ATOM 295 OE1 GLN A 20 -10.837 4.196 9.360 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.884 2.630 8.127 1.00 0.00 N ATOM 0 H GLN A 20 -10.136 3.710 4.495 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.983 3.533 4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.981 3.567 6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.623 2.583 6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.201 4.738 6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.580 5.374 7.249 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.675 2.254 7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.551 2.147 8.961 1.00 0.00 H new ATOM 305 N GLN A 21 -11.807 6.529 4.173 1.00 0.00 N ATOM 306 CA GLN A 21 -12.219 7.917 3.952 1.00 0.00 C ATOM 307 C GLN A 21 -13.190 8.028 2.759 1.00 0.00 C ATOM 308 O GLN A 21 -13.784 9.093 2.586 1.00 0.00 O ATOM 309 CB GLN A 21 -10.997 8.880 3.840 1.00 0.00 C ATOM 310 CG GLN A 21 -10.220 8.825 2.513 1.00 0.00 C ATOM 311 CD GLN A 21 -8.978 9.721 2.328 1.00 0.00 C ATOM 312 OE1 GLN A 21 -8.490 9.910 1.210 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.373 10.257 3.371 1.00 0.00 N ATOM 0 H GLN A 21 -10.819 6.362 3.985 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.771 8.245 4.833 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.348 9.901 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.306 8.656 4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.905 7.793 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.920 9.066 1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.752 10.118 4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.526 10.810 3.241 1.00 0.00 H new ATOM 322 N LEU A 22 -13.358 6.963 1.950 1.00 0.00 N ATOM 323 CA LEU A 22 -14.223 6.934 0.770 1.00 0.00 C ATOM 324 C LEU A 22 -15.383 5.967 0.993 1.00 0.00 C ATOM 325 O LEU A 22 -16.453 6.415 1.401 1.00 0.00 O ATOM 326 CB LEU A 22 -13.448 6.610 -0.533 1.00 0.00 C ATOM 327 CG LEU A 22 -12.387 7.626 -0.998 1.00 0.00 C ATOM 328 CD1 LEU A 22 -12.840 9.072 -0.941 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.047 7.419 -0.305 1.00 0.00 C ATOM 0 H LEU A 22 -12.878 6.077 2.111 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.627 7.937 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.957 5.646 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.175 6.490 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.244 7.415 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.034 9.720 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.711 9.206 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.101 9.331 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.333 8.159 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.173 7.532 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.675 6.418 -0.524 1.00 0.00 H new ATOM 341 N ARG A 23 -15.187 4.666 0.710 1.00 0.00 N ATOM 342 CA ARG A 23 -16.250 3.650 0.599 1.00 0.00 C ATOM 343 C ARG A 23 -15.712 2.241 0.288 1.00 0.00 C ATOM 344 O ARG A 23 -16.413 1.448 -0.336 1.00 0.00 O ATOM 345 CB ARG A 23 -17.348 4.088 -0.413 1.00 0.00 C ATOM 346 CG ARG A 23 -16.947 4.630 -1.792 1.00 0.00 C ATOM 347 CD ARG A 23 -16.160 3.607 -2.588 1.00 0.00 C ATOM 348 NE ARG A 23 -15.852 4.027 -3.970 1.00 0.00 N ATOM 349 CZ ARG A 23 -16.709 4.107 -5.000 1.00 0.00 C ATOM 350 NH1 ARG A 23 -17.994 3.799 -4.878 1.00 0.00 N ATOM 351 NH2 ARG A 23 -16.281 4.507 -6.184 1.00 0.00 N ATOM 0 H ARG A 23 -14.256 4.281 0.547 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.712 3.580 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -17.998 3.229 -0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.951 4.854 0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -17.842 4.913 -2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.350 5.533 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.226 3.397 -2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.724 2.675 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.884 4.284 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.361 3.489 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.615 3.872 -5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.300 4.755 -6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.931 4.568 -6.967 1.00 0.00 H new ATOM 365 N VAL A 24 -14.460 1.951 0.651 1.00 0.00 N ATOM 366 CA VAL A 24 -13.811 0.665 0.399 1.00 0.00 C ATOM 367 C VAL A 24 -14.669 -0.507 0.903 1.00 0.00 C ATOM 368 O VAL A 24 -15.484 -0.359 1.818 1.00 0.00 O ATOM 369 CB VAL A 24 -12.410 0.670 1.042 1.00 0.00 C ATOM 370 CG1 VAL A 24 -12.501 0.827 2.572 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.562 -0.555 0.648 1.00 0.00 C ATOM 0 H VAL A 24 -13.859 2.617 1.137 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.702 0.524 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.888 1.540 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.498 0.827 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.997 1.767 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.072 -0.002 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.587 -0.494 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.069 -1.466 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.429 -0.573 -0.434 1.00 0.00 H new ATOM 381 N GLU A 25 -14.403 -1.695 0.372 1.00 0.00 N ATOM 382 CA GLU A 25 -14.939 -2.959 0.841 1.00 0.00 C ATOM 383 C GLU A 25 -13.778 -3.859 1.249 1.00 0.00 C ATOM 384 O GLU A 25 -12.934 -4.201 0.415 1.00 0.00 O ATOM 385 CB GLU A 25 -15.744 -3.613 -0.280 1.00 0.00 C ATOM 386 CG GLU A 25 -16.954 -2.768 -0.682 1.00 0.00 C ATOM 387 CD GLU A 25 -18.086 -3.655 -1.183 1.00 0.00 C ATOM 388 OE1 GLU A 25 -18.907 -4.063 -0.332 1.00 0.00 O ATOM 389 OE2 GLU A 25 -18.190 -3.858 -2.415 1.00 0.00 O ATOM 0 H GLU A 25 -13.782 -1.804 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.594 -2.799 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.102 -3.763 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.080 -4.598 0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.295 -2.182 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.668 -2.061 -1.460 1.00 0.00 H new ATOM 396 N SER A 26 -13.719 -4.255 2.522 1.00 0.00 N ATOM 397 CA SER A 26 -12.789 -5.282 2.970 1.00 0.00 C ATOM 398 C SER A 26 -13.162 -6.660 2.411 1.00 0.00 C ATOM 399 O SER A 26 -12.288 -7.508 2.243 1.00 0.00 O ATOM 400 CB SER A 26 -12.718 -5.283 4.500 1.00 0.00 C ATOM 401 OG SER A 26 -14.011 -5.209 5.071 1.00 0.00 O ATOM 0 H SER A 26 -14.310 -3.875 3.261 1.00 0.00 H new ATOM 0 HA SER A 26 -11.797 -5.051 2.582 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.217 -6.188 4.843 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.118 -4.439 4.840 1.00 0.00 H new ATOM 0 HG SER A 26 -13.938 -5.213 6.048 1.00 0.00 H new ATOM 407 N SER A 27 -14.428 -6.883 2.039 1.00 0.00 N ATOM 408 CA SER A 27 -14.888 -8.079 1.342 1.00 0.00 C ATOM 409 C SER A 27 -14.387 -8.174 -0.109 1.00 0.00 C ATOM 410 O SER A 27 -14.735 -9.126 -0.815 1.00 0.00 O ATOM 411 CB SER A 27 -16.421 -8.160 1.429 1.00 0.00 C ATOM 412 OG SER A 27 -17.085 -6.910 1.406 1.00 0.00 O ATOM 0 H SER A 27 -15.177 -6.215 2.222 1.00 0.00 H new ATOM 0 HA SER A 27 -14.452 -8.943 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.786 -8.765 0.599 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.691 -8.682 2.347 1.00 0.00 H new ATOM 0 HG SER A 27 -18.053 -7.053 1.463 1.00 0.00 H new ATOM 418 N SER A 28 -13.576 -7.223 -0.579 1.00 0.00 N ATOM 419 CA SER A 28 -13.023 -7.190 -1.920 1.00 0.00 C ATOM 420 C SER A 28 -11.499 -7.176 -1.852 1.00 0.00 C ATOM 421 O SER A 28 -10.919 -6.754 -0.851 1.00 0.00 O ATOM 422 CB SER A 28 -13.530 -5.928 -2.618 1.00 0.00 C ATOM 423 OG SER A 28 -14.944 -5.849 -2.622 1.00 0.00 O ATOM 0 H SER A 28 -13.281 -6.430 -0.010 1.00 0.00 H new ATOM 0 HA SER A 28 -13.334 -8.073 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.120 -5.050 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.164 -5.911 -3.645 1.00 0.00 H new ATOM 0 HG SER A 28 -15.224 -5.027 -3.076 1.00 0.00 H new ATOM 429 N LYS A 29 -10.835 -7.536 -2.961 1.00 0.00 N ATOM 430 CA LYS A 29 -9.372 -7.491 -3.020 1.00 0.00 C ATOM 431 C LYS A 29 -8.806 -6.126 -2.763 1.00 0.00 C ATOM 432 O LYS A 29 -7.624 -5.994 -2.481 1.00 0.00 O ATOM 433 CB LYS A 29 -8.828 -8.017 -4.347 1.00 0.00 C ATOM 434 CG LYS A 29 -9.013 -7.137 -5.596 1.00 0.00 C ATOM 435 CD LYS A 29 -8.100 -5.957 -5.859 1.00 0.00 C ATOM 436 CE LYS A 29 -8.945 -4.819 -6.414 1.00 0.00 C ATOM 437 NZ LYS A 29 -9.563 -5.114 -7.724 1.00 0.00 N ATOM 0 H LYS A 29 -11.285 -7.858 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.046 -8.148 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.761 -8.202 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.298 -8.981 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.944 -7.794 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.032 -6.752 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.603 -5.648 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.318 -6.231 -6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.732 -4.581 -5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.322 -3.930 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.065 -4.271 -8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.823 -5.379 -8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.236 -5.900 -7.621 1.00 0.00 H new ATOM 451 N LEU A 30 -9.606 -5.104 -3.003 1.00 0.00 N ATOM 452 CA LEU A 30 -9.142 -3.745 -3.120 1.00 0.00 C ATOM 453 C LEU A 30 -8.423 -3.315 -1.849 1.00 0.00 C ATOM 454 O LEU A 30 -7.275 -2.884 -1.897 1.00 0.00 O ATOM 455 CB LEU A 30 -10.357 -2.887 -3.489 1.00 0.00 C ATOM 456 CG LEU A 30 -9.972 -1.548 -4.109 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.208 -0.685 -3.137 1.00 0.00 C ATOM 458 CD2 LEU A 30 -9.156 -1.705 -5.386 1.00 0.00 C ATOM 0 H LEU A 30 -10.614 -5.203 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.395 -3.628 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.986 -3.438 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.955 -2.709 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.913 -1.061 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.951 0.261 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.825 -0.492 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.295 -1.198 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.910 -0.721 -5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.237 -2.248 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.737 -2.259 -6.123 1.00 0.00 H new ATOM 470 N TRP A 31 -9.053 -3.520 -0.705 1.00 0.00 N ATOM 471 CA TRP A 31 -8.460 -3.354 0.609 1.00 0.00 C ATOM 472 C TRP A 31 -7.087 -4.049 0.711 1.00 0.00 C ATOM 473 O TRP A 31 -6.114 -3.457 1.184 1.00 0.00 O ATOM 474 CB TRP A 31 -9.541 -3.908 1.542 1.00 0.00 C ATOM 475 CG TRP A 31 -9.236 -4.134 2.975 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.065 -3.182 3.915 1.00 0.00 C ATOM 477 CD2 TRP A 31 -9.182 -5.410 3.666 1.00 0.00 C ATOM 478 NE1 TRP A 31 -8.945 -3.785 5.151 1.00 0.00 N ATOM 479 CE2 TRP A 31 -9.004 -5.159 5.055 1.00 0.00 C ATOM 480 CE3 TRP A 31 -9.291 -6.755 3.252 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -8.932 -6.198 5.989 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -9.185 -7.807 4.177 1.00 0.00 C ATOM 483 CH2 TRP A 31 -8.993 -7.527 5.539 1.00 0.00 C ATOM 0 H TRP A 31 -10.028 -3.818 -0.665 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.211 -2.324 0.865 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.391 -3.227 1.495 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -9.872 -4.860 1.126 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.028 -2.119 3.730 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.827 -3.277 6.027 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -9.458 -6.979 2.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -8.831 -5.981 7.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.251 -8.831 3.840 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -8.892 -8.338 6.245 1.00 0.00 H new ATOM 494 N ALA A 32 -6.974 -5.260 0.166 1.00 0.00 N ATOM 495 CA ALA A 32 -5.774 -6.080 0.232 1.00 0.00 C ATOM 496 C ALA A 32 -4.686 -5.656 -0.762 1.00 0.00 C ATOM 497 O ALA A 32 -3.514 -5.784 -0.407 1.00 0.00 O ATOM 498 CB ALA A 32 -6.148 -7.542 0.023 1.00 0.00 C ATOM 0 H ALA A 32 -7.736 -5.705 -0.345 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.344 -5.937 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.250 -8.158 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.845 -7.854 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.617 -7.662 -0.954 1.00 0.00 H new ATOM 504 N GLN A 33 -5.025 -5.118 -1.950 1.00 0.00 N ATOM 505 CA GLN A 33 -4.069 -4.458 -2.850 1.00 0.00 C ATOM 506 C GLN A 33 -3.151 -3.510 -2.100 1.00 0.00 C ATOM 507 O GLN A 33 -1.977 -3.407 -2.438 1.00 0.00 O ATOM 508 CB GLN A 33 -4.790 -3.637 -3.937 1.00 0.00 C ATOM 509 CG GLN A 33 -5.334 -4.531 -5.032 1.00 0.00 C ATOM 510 CD GLN A 33 -4.337 -4.768 -6.154 1.00 0.00 C ATOM 511 OE1 GLN A 33 -3.410 -5.556 -6.025 1.00 0.00 O ATOM 512 NE2 GLN A 33 -4.526 -4.110 -7.278 1.00 0.00 N ATOM 0 H GLN A 33 -5.979 -5.131 -2.311 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.487 -5.260 -3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.606 -3.072 -3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.099 -2.912 -4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.623 -5.490 -4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.237 -4.082 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.306 -3.458 -7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.893 -4.252 -8.065 1.00 0.00 H new ATOM 521 N CYS A 34 -3.684 -2.815 -1.100 1.00 0.00 N ATOM 522 CA CYS A 34 -2.873 -1.958 -0.256 1.00 0.00 C ATOM 523 C CYS A 34 -2.125 -2.787 0.779 1.00 0.00 C ATOM 524 O CYS A 34 -0.897 -2.811 0.767 1.00 0.00 O ATOM 525 CB CYS A 34 -3.751 -0.880 0.370 1.00 0.00 C ATOM 526 SG CYS A 34 -4.099 0.362 -0.904 1.00 0.00 S ATOM 0 H CYS A 34 -4.675 -2.831 -0.858 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.115 -1.454 -0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.679 -1.313 0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.246 -0.423 1.221 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.467 1.473 -0.338 1.00 0.00 H new ATOM 532 N VAL A 35 -2.845 -3.479 1.667 1.00 0.00 N ATOM 533 CA VAL A 35 -2.231 -4.081 2.847 1.00 0.00 C ATOM 534 C VAL A 35 -1.063 -5.012 2.485 1.00 0.00 C ATOM 535 O VAL A 35 -0.027 -4.959 3.155 1.00 0.00 O ATOM 536 CB VAL A 35 -3.313 -4.762 3.711 1.00 0.00 C ATOM 537 CG1 VAL A 35 -2.704 -5.438 4.949 1.00 0.00 C ATOM 538 CG2 VAL A 35 -4.387 -3.775 4.204 1.00 0.00 C ATOM 0 H VAL A 35 -3.850 -3.634 1.589 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.781 -3.291 3.449 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.774 -5.503 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.495 -5.907 5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.987 -6.197 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.197 -4.691 5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.122 -4.308 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.918 -2.998 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.883 -3.319 3.347 1.00 0.00 H new ATOM 548 N GLN A 36 -1.184 -5.844 1.444 1.00 0.00 N ATOM 549 CA GLN A 36 -0.102 -6.752 1.058 1.00 0.00 C ATOM 550 C GLN A 36 1.077 -6.008 0.418 1.00 0.00 C ATOM 551 O GLN A 36 2.208 -6.488 0.423 1.00 0.00 O ATOM 552 CB GLN A 36 -0.650 -7.833 0.113 1.00 0.00 C ATOM 553 CG GLN A 36 -0.904 -7.378 -1.333 1.00 0.00 C ATOM 554 CD GLN A 36 0.137 -7.940 -2.308 1.00 0.00 C ATOM 555 OE1 GLN A 36 -0.022 -9.047 -2.813 1.00 0.00 O ATOM 556 NE2 GLN A 36 1.210 -7.215 -2.576 1.00 0.00 N ATOM 0 H GLN A 36 -2.016 -5.906 0.858 1.00 0.00 H new ATOM 0 HA GLN A 36 0.283 -7.224 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.052 -8.666 0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.585 -8.213 0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.899 -7.697 -1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.890 -6.289 -1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.325 -6.297 -2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.922 -7.574 -3.212 1.00 0.00 H new ATOM 565 N LEU A 37 0.814 -4.860 -0.203 1.00 0.00 N ATOM 566 CA LEU A 37 1.801 -4.106 -0.956 1.00 0.00 C ATOM 567 C LEU A 37 2.537 -3.121 -0.056 1.00 0.00 C ATOM 568 O LEU A 37 3.574 -2.607 -0.459 1.00 0.00 O ATOM 569 CB LEU A 37 1.113 -3.423 -2.133 1.00 0.00 C ATOM 570 CG LEU A 37 2.043 -2.819 -3.205 1.00 0.00 C ATOM 571 CD1 LEU A 37 3.308 -3.625 -3.533 1.00 0.00 C ATOM 572 CD2 LEU A 37 1.250 -2.747 -4.507 1.00 0.00 C ATOM 0 H LEU A 37 -0.108 -4.424 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 37 2.561 -4.780 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.459 -4.149 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.476 -2.628 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 37 2.371 -1.863 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.883 -3.104 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.914 -3.732 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.026 -4.612 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.877 -2.323 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.934 -3.749 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.372 -2.117 -4.364 1.00 0.00 H new ATOM 584 N HIS A 38 2.039 -2.845 1.153 1.00 0.00 N ATOM 585 CA HIS A 38 2.746 -2.003 2.107 1.00 0.00 C ATOM 586 C HIS A 38 4.055 -2.675 2.512 1.00 0.00 C ATOM 587 O HIS A 38 5.131 -2.104 2.338 1.00 0.00 O ATOM 588 CB HIS A 38 1.853 -1.680 3.310 1.00 0.00 C ATOM 589 CG HIS A 38 2.409 -0.555 4.146 1.00 0.00 C ATOM 590 ND1 HIS A 38 2.276 0.772 3.842 1.00 0.00 N flip ATOM 591 CD2 HIS A 38 3.190 -0.643 5.284 1.00 0.00 C flip ATOM 592 CE1 HIS A 38 2.974 1.503 4.801 1.00 0.00 C flip ATOM 593 NE2 HIS A 38 3.524 0.610 5.639 1.00 0.00 N flip ATOM 0 H HIS A 38 1.143 -3.198 1.490 1.00 0.00 H new ATOM 0 HA HIS A 38 2.995 -1.050 1.641 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.857 -1.411 2.959 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.744 -2.571 3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.478 -1.551 5.793 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.056 2.578 4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.114 0.849 6.436 1.00 0.00 H new ATOM 601 N ASN A 39 3.973 -3.915 3.006 1.00 0.00 N ATOM 602 CA ASN A 39 5.171 -4.662 3.369 1.00 0.00 C ATOM 603 C ASN A 39 6.064 -4.894 2.157 1.00 0.00 C ATOM 604 O ASN A 39 7.275 -4.754 2.284 1.00 0.00 O ATOM 605 CB ASN A 39 4.853 -5.982 4.074 1.00 0.00 C ATOM 606 CG ASN A 39 4.156 -7.020 3.208 1.00 0.00 C ATOM 607 OD1 ASN A 39 4.775 -7.704 2.399 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.848 -7.146 3.346 1.00 0.00 N ATOM 0 H ASN A 39 3.097 -4.414 3.161 1.00 0.00 H new ATOM 0 HA ASN A 39 5.715 -4.046 4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.783 -6.409 4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.225 -5.772 4.940 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.338 -7.820 2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.349 -6.569 4.023 1.00 0.00 H new ATOM 615 N ASP A 40 5.498 -5.164 0.976 1.00 0.00 N ATOM 616 CA ASP A 40 6.294 -5.480 -0.212 1.00 0.00 C ATOM 617 C ASP A 40 7.180 -4.324 -0.651 1.00 0.00 C ATOM 618 O ASP A 40 8.074 -4.540 -1.464 1.00 0.00 O ATOM 619 CB ASP A 40 5.413 -5.886 -1.407 1.00 0.00 C ATOM 620 CG ASP A 40 5.609 -7.325 -1.884 1.00 0.00 C ATOM 621 OD1 ASP A 40 6.160 -8.176 -1.137 1.00 0.00 O ATOM 622 OD2 ASP A 40 5.229 -7.634 -3.035 1.00 0.00 O ATOM 0 H ASP A 40 4.490 -5.170 0.818 1.00 0.00 H new ATOM 0 HA ASP A 40 6.923 -6.319 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.367 -5.747 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.618 -5.211 -2.238 1.00 0.00 H new ATOM 627 N ILE A 41 6.953 -3.105 -0.150 1.00 0.00 N ATOM 628 CA ILE A 41 7.865 -2.001 -0.412 1.00 0.00 C ATOM 629 C ILE A 41 9.174 -2.323 0.312 1.00 0.00 C ATOM 630 O ILE A 41 10.248 -2.375 -0.284 1.00 0.00 O ATOM 631 CB ILE A 41 7.287 -0.652 0.083 1.00 0.00 C ATOM 632 CG1 ILE A 41 5.893 -0.310 -0.482 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.272 0.502 -0.179 1.00 0.00 C ATOM 634 CD1 ILE A 41 5.609 -0.713 -1.928 1.00 0.00 C ATOM 0 H ILE A 41 6.151 -2.865 0.433 1.00 0.00 H new ATOM 0 HA ILE A 41 8.024 -1.893 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 41 7.150 -0.778 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.145 -0.783 0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.749 0.767 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.840 1.437 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.207 0.309 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.467 0.578 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.596 -0.414 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.321 -0.219 -2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.708 -1.794 -2.031 1.00 0.00 H new ATOM 646 N LEU A 42 9.090 -2.513 1.627 1.00 0.00 N ATOM 647 CA LEU A 42 10.250 -2.708 2.481 1.00 0.00 C ATOM 648 C LEU A 42 10.906 -4.042 2.131 1.00 0.00 C ATOM 649 O LEU A 42 12.129 -4.126 2.044 1.00 0.00 O ATOM 650 CB LEU A 42 9.835 -2.665 3.964 1.00 0.00 C ATOM 651 CG LEU A 42 9.017 -1.421 4.368 1.00 0.00 C ATOM 652 CD1 LEU A 42 8.678 -1.480 5.858 1.00 0.00 C ATOM 653 CD2 LEU A 42 9.743 -0.112 4.057 1.00 0.00 C ATOM 0 H LEU A 42 8.203 -2.535 2.131 1.00 0.00 H new ATOM 0 HA LEU A 42 10.969 -1.906 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.250 -3.557 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.733 -2.708 4.580 1.00 0.00 H new ATOM 0 HG LEU A 42 8.103 -1.434 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.100 -0.598 6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.092 -2.376 6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.599 -1.508 6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.122 0.730 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.687 -0.082 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.938 -0.050 2.986 1.00 0.00 H new ATOM 665 N LEU A 43 10.097 -5.074 1.887 1.00 0.00 N ATOM 666 CA LEU A 43 10.492 -6.456 1.625 1.00 0.00 C ATOM 667 C LEU A 43 10.814 -6.655 0.132 1.00 0.00 C ATOM 668 O LEU A 43 10.857 -7.793 -0.340 1.00 0.00 O ATOM 669 CB LEU A 43 9.371 -7.411 2.111 1.00 0.00 C ATOM 670 CG LEU A 43 9.325 -7.698 3.631 1.00 0.00 C ATOM 671 CD1 LEU A 43 9.186 -6.465 4.531 1.00 0.00 C ATOM 672 CD2 LEU A 43 8.177 -8.668 3.930 1.00 0.00 C ATOM 0 H LEU A 43 9.084 -4.958 1.866 1.00 0.00 H new ATOM 0 HA LEU A 43 11.402 -6.689 2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.411 -6.990 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.480 -8.360 1.587 1.00 0.00 H new ATOM 0 HG LEU A 43 10.298 -8.127 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.164 -6.777 5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.034 -5.799 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.262 -5.940 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.142 -8.872 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.233 -8.223 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.338 -9.600 3.388 1.00 0.00 H new ATOM 684 N ALA A 44 10.970 -5.568 -0.633 1.00 0.00 N ATOM 685 CA ALA A 44 11.273 -5.585 -2.059 1.00 0.00 C ATOM 686 C ALA A 44 12.662 -6.150 -2.374 1.00 0.00 C ATOM 687 O ALA A 44 13.447 -6.492 -1.490 1.00 0.00 O ATOM 688 CB ALA A 44 11.175 -4.163 -2.615 1.00 0.00 C ATOM 0 H ALA A 44 10.885 -4.623 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 44 10.543 -6.243 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.401 -4.173 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.166 -3.781 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.888 -3.521 -2.099 1.00 0.00 H new ATOM 694 N LYS A 45 12.962 -6.240 -3.671 1.00 0.00 N ATOM 695 CA LYS A 45 14.219 -6.757 -4.197 1.00 0.00 C ATOM 696 C LYS A 45 15.341 -5.737 -4.097 1.00 0.00 C ATOM 697 O LYS A 45 16.423 -6.076 -3.631 1.00 0.00 O ATOM 698 CB LYS A 45 14.028 -7.199 -5.651 1.00 0.00 C ATOM 699 CG LYS A 45 12.969 -8.304 -5.720 1.00 0.00 C ATOM 700 CD LYS A 45 13.038 -9.125 -7.006 1.00 0.00 C ATOM 701 CE LYS A 45 12.486 -8.312 -8.174 1.00 0.00 C ATOM 702 NZ LYS A 45 12.191 -9.150 -9.348 1.00 0.00 N ATOM 0 H LYS A 45 12.315 -5.946 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 45 14.508 -7.614 -3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.722 -6.350 -6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.972 -7.561 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.091 -8.969 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.979 -7.855 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.069 -9.413 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.466 -10.046 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.577 -7.799 -7.859 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.207 -7.543 -8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.819 -8.554 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.062 -9.620 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.483 -9.868 -9.093 1.00 0.00 H new ATOM 716 N ASP A 46 15.098 -4.504 -4.531 1.00 0.00 N ATOM 717 CA ASP A 46 16.081 -3.418 -4.532 1.00 0.00 C ATOM 718 C ASP A 46 15.389 -2.151 -4.057 1.00 0.00 C ATOM 719 O ASP A 46 14.159 -2.084 -4.055 1.00 0.00 O ATOM 720 CB ASP A 46 16.660 -3.123 -5.930 1.00 0.00 C ATOM 721 CG ASP A 46 16.955 -4.357 -6.784 1.00 0.00 C ATOM 722 OD1 ASP A 46 15.999 -4.926 -7.355 1.00 0.00 O ATOM 723 OD2 ASP A 46 18.136 -4.765 -6.878 1.00 0.00 O ATOM 0 H ASP A 46 14.190 -4.222 -4.902 1.00 0.00 H new ATOM 0 HA ASP A 46 16.901 -3.728 -3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.959 -2.486 -6.470 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.582 -2.553 -5.812 1.00 0.00 H new ATOM 728 N THR A 47 16.157 -1.103 -3.758 1.00 0.00 N ATOM 729 CA THR A 47 15.616 0.190 -3.375 1.00 0.00 C ATOM 730 C THR A 47 14.734 0.771 -4.476 1.00 0.00 C ATOM 731 O THR A 47 13.619 1.203 -4.189 1.00 0.00 O ATOM 732 CB THR A 47 16.768 1.143 -3.056 1.00 0.00 C ATOM 733 OG1 THR A 47 17.501 0.631 -1.964 1.00 0.00 O ATOM 734 CG2 THR A 47 16.225 2.530 -2.722 1.00 0.00 C ATOM 0 H THR A 47 17.176 -1.133 -3.776 1.00 0.00 H new ATOM 0 HA THR A 47 14.992 0.060 -2.491 1.00 0.00 H new ATOM 0 HB THR A 47 17.421 1.229 -3.924 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.243 1.237 -1.755 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.054 3.201 -2.496 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.667 2.917 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.566 2.464 -1.856 1.00 0.00 H new ATOM 742 N THR A 48 15.215 0.814 -5.723 1.00 0.00 N ATOM 743 CA THR A 48 14.424 1.393 -6.796 1.00 0.00 C ATOM 744 C THR A 48 13.129 0.580 -6.938 1.00 0.00 C ATOM 745 O THR A 48 12.035 1.140 -6.989 1.00 0.00 O ATOM 746 CB THR A 48 15.286 1.544 -8.068 1.00 0.00 C ATOM 747 OG1 THR A 48 14.687 2.403 -9.027 1.00 0.00 O ATOM 748 CG2 THR A 48 15.658 0.214 -8.724 1.00 0.00 C ATOM 0 H THR A 48 16.130 0.461 -6.004 1.00 0.00 H new ATOM 0 HA THR A 48 14.106 2.412 -6.577 1.00 0.00 H new ATOM 0 HB THR A 48 16.211 2.000 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.268 2.470 -9.814 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.263 0.402 -9.611 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.226 -0.393 -8.019 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.750 -0.317 -9.010 1.00 0.00 H new ATOM 756 N GLU A 49 13.233 -0.748 -6.885 1.00 0.00 N ATOM 757 CA GLU A 49 12.101 -1.644 -7.063 1.00 0.00 C ATOM 758 C GLU A 49 11.156 -1.629 -5.850 1.00 0.00 C ATOM 759 O GLU A 49 10.008 -2.058 -5.976 1.00 0.00 O ATOM 760 CB GLU A 49 12.639 -3.046 -7.418 1.00 0.00 C ATOM 761 CG GLU A 49 11.520 -4.089 -7.616 1.00 0.00 C ATOM 762 CD GLU A 49 11.697 -5.083 -8.765 1.00 0.00 C ATOM 763 OE1 GLU A 49 12.651 -5.009 -9.564 1.00 0.00 O ATOM 764 OE2 GLU A 49 10.801 -5.947 -8.902 1.00 0.00 O ATOM 0 H GLU A 49 14.115 -1.232 -6.716 1.00 0.00 H new ATOM 0 HA GLU A 49 11.479 -1.301 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.233 -2.981 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.307 -3.384 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.416 -4.655 -6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.582 -3.555 -7.770 1.00 0.00 H new ATOM 771 N ALA A 50 11.583 -1.107 -4.697 1.00 0.00 N ATOM 772 CA ALA A 50 10.721 -0.869 -3.550 1.00 0.00 C ATOM 773 C ALA A 50 9.633 0.129 -3.909 1.00 0.00 C ATOM 774 O ALA A 50 8.462 -0.111 -3.640 1.00 0.00 O ATOM 775 CB ALA A 50 11.536 -0.354 -2.357 1.00 0.00 C ATOM 0 H ALA A 50 12.553 -0.836 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 50 10.256 -1.814 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.872 -0.182 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.289 -1.094 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.027 0.581 -2.628 1.00 0.00 H new ATOM 781 N PHE A 51 10.011 1.258 -4.501 1.00 0.00 N ATOM 782 CA PHE A 51 9.098 2.372 -4.686 1.00 0.00 C ATOM 783 C PHE A 51 8.479 2.357 -6.079 1.00 0.00 C ATOM 784 O PHE A 51 7.324 2.752 -6.220 1.00 0.00 O ATOM 785 CB PHE A 51 9.771 3.689 -4.288 1.00 0.00 C ATOM 786 CG PHE A 51 10.540 4.398 -5.376 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.851 4.013 -5.712 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.920 5.456 -6.061 1.00 0.00 C ATOM 789 CE1 PHE A 51 12.512 4.659 -6.772 1.00 0.00 C ATOM 790 CE2 PHE A 51 10.602 6.130 -7.080 1.00 0.00 C ATOM 791 CZ PHE A 51 11.897 5.727 -7.444 1.00 0.00 C ATOM 0 H PHE A 51 10.951 1.422 -4.862 1.00 0.00 H new ATOM 0 HA PHE A 51 8.249 2.266 -4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.004 4.366 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.452 3.490 -3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.346 3.227 -5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.914 5.750 -5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 51 13.497 4.332 -7.070 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.132 6.960 -7.587 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.419 6.238 -8.240 1.00 0.00 H new ATOM 801 N GLU A 52 9.148 1.770 -7.075 1.00 0.00 N ATOM 802 CA GLU A 52 8.557 1.534 -8.392 1.00 0.00 C ATOM 803 C GLU A 52 7.215 0.781 -8.255 1.00 0.00 C ATOM 804 O GLU A 52 6.250 1.095 -8.959 1.00 0.00 O ATOM 805 CB GLU A 52 9.558 0.780 -9.284 1.00 0.00 C ATOM 806 CG GLU A 52 10.733 1.656 -9.776 1.00 0.00 C ATOM 807 CD GLU A 52 10.632 2.079 -11.247 1.00 0.00 C ATOM 808 OE1 GLU A 52 9.537 2.439 -11.723 1.00 0.00 O ATOM 809 OE2 GLU A 52 11.689 2.081 -11.930 1.00 0.00 O ATOM 0 H GLU A 52 10.112 1.446 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 52 8.339 2.489 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.957 -0.070 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.030 0.377 -10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.788 2.551 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.665 1.109 -9.630 1.00 0.00 H new ATOM 816 N LYS A 53 7.090 -0.152 -7.293 1.00 0.00 N ATOM 817 CA LYS A 53 5.816 -0.836 -7.074 1.00 0.00 C ATOM 818 C LYS A 53 4.790 0.016 -6.324 1.00 0.00 C ATOM 819 O LYS A 53 3.602 -0.114 -6.611 1.00 0.00 O ATOM 820 CB LYS A 53 6.004 -2.227 -6.448 1.00 0.00 C ATOM 821 CG LYS A 53 6.703 -2.246 -5.085 1.00 0.00 C ATOM 822 CD LYS A 53 6.681 -3.643 -4.443 1.00 0.00 C ATOM 823 CE LYS A 53 8.009 -4.403 -4.499 1.00 0.00 C ATOM 824 NZ LYS A 53 8.576 -4.480 -5.859 1.00 0.00 N ATOM 0 H LYS A 53 7.844 -0.441 -6.669 1.00 0.00 H new ATOM 0 HA LYS A 53 5.388 -0.994 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.025 -2.694 -6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.578 -2.844 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.736 -1.918 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.217 -1.534 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.381 -3.542 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.916 -4.242 -4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.727 -3.916 -3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.859 -5.413 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.156 -5.339 -5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.804 -4.511 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.168 -3.644 -6.036 1.00 0.00 H new ATOM 838 N MET A 54 5.179 0.918 -5.410 1.00 0.00 N ATOM 839 CA MET A 54 4.183 1.770 -4.746 1.00 0.00 C ATOM 840 C MET A 54 3.575 2.753 -5.742 1.00 0.00 C ATOM 841 O MET A 54 2.360 2.954 -5.757 1.00 0.00 O ATOM 842 CB MET A 54 4.713 2.482 -3.492 1.00 0.00 C ATOM 843 CG MET A 54 5.487 3.789 -3.700 1.00 0.00 C ATOM 844 SD MET A 54 6.003 4.611 -2.173 1.00 0.00 S ATOM 845 CE MET A 54 7.216 3.442 -1.529 1.00 0.00 C ATOM 0 H MET A 54 6.145 1.074 -5.121 1.00 0.00 H new ATOM 0 HA MET A 54 3.398 1.106 -4.383 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.865 2.692 -2.840 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.361 1.787 -2.958 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.372 3.580 -4.301 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.866 4.476 -4.275 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.475 3.713 -0.505 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.795 2.437 -1.543 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.112 3.469 -2.149 1.00 0.00 H new ATOM 855 N VAL A 55 4.396 3.302 -6.640 1.00 0.00 N ATOM 856 CA VAL A 55 3.964 4.177 -7.726 1.00 0.00 C ATOM 857 C VAL A 55 3.073 3.412 -8.727 1.00 0.00 C ATOM 858 O VAL A 55 2.456 4.000 -9.621 1.00 0.00 O ATOM 859 CB VAL A 55 5.221 4.803 -8.369 1.00 0.00 C ATOM 860 CG1 VAL A 55 4.830 5.771 -9.484 1.00 0.00 C ATOM 861 CG2 VAL A 55 6.043 5.598 -7.339 1.00 0.00 C ATOM 0 H VAL A 55 5.404 3.145 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 55 3.339 4.987 -7.349 1.00 0.00 H new ATOM 0 HB VAL A 55 5.814 3.978 -8.763 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.729 6.201 -9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.271 5.235 -10.251 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.210 6.568 -9.073 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.920 6.025 -7.825 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.431 6.400 -6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.361 4.933 -6.536 1.00 0.00 H new ATOM 871 N SER A 56 2.952 2.099 -8.561 1.00 0.00 N ATOM 872 CA SER A 56 2.124 1.213 -9.352 1.00 0.00 C ATOM 873 C SER A 56 0.893 0.710 -8.579 1.00 0.00 C ATOM 874 O SER A 56 0.193 -0.164 -9.099 1.00 0.00 O ATOM 875 CB SER A 56 3.012 0.087 -9.900 1.00 0.00 C ATOM 876 OG SER A 56 4.122 0.656 -10.591 1.00 0.00 O ATOM 0 H SER A 56 3.460 1.603 -7.829 1.00 0.00 H new ATOM 0 HA SER A 56 1.698 1.759 -10.194 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.362 -0.545 -9.084 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.438 -0.550 -10.573 1.00 0.00 H new ATOM 0 HG SER A 56 4.838 0.856 -9.952 1.00 0.00 H new ATOM 882 N LEU A 57 0.559 1.258 -7.391 1.00 0.00 N ATOM 883 CA LEU A 57 -0.674 0.877 -6.707 1.00 0.00 C ATOM 884 C LEU A 57 -1.603 2.073 -6.638 1.00 0.00 C ATOM 885 O LEU A 57 -2.786 1.936 -6.933 1.00 0.00 O ATOM 886 CB LEU A 57 -0.442 0.240 -5.322 1.00 0.00 C ATOM 887 CG LEU A 57 -0.790 1.015 -4.023 1.00 0.00 C ATOM 888 CD1 LEU A 57 -1.141 -0.001 -2.930 1.00 0.00 C ATOM 889 CD2 LEU A 57 0.289 1.978 -3.517 1.00 0.00 C ATOM 0 H LEU A 57 1.122 1.953 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.146 0.090 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.006 -0.692 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.614 -0.025 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.634 1.659 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.389 0.527 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.997 -0.597 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.288 -0.656 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.057 2.466 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.203 1.422 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.490 2.732 -4.278 1.00 0.00 H new ATOM 901 N LEU A 58 -1.077 3.221 -6.212 1.00 0.00 N ATOM 902 CA LEU A 58 -1.821 4.360 -5.692 1.00 0.00 C ATOM 903 C LEU A 58 -2.902 4.849 -6.663 1.00 0.00 C ATOM 904 O LEU A 58 -3.985 5.228 -6.228 1.00 0.00 O ATOM 905 CB LEU A 58 -0.810 5.440 -5.270 1.00 0.00 C ATOM 906 CG LEU A 58 -0.118 6.250 -6.372 1.00 0.00 C ATOM 907 CD1 LEU A 58 0.882 7.211 -5.725 1.00 0.00 C ATOM 908 CD2 LEU A 58 0.586 5.460 -7.472 1.00 0.00 C ATOM 0 H LEU A 58 -0.071 3.387 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.391 4.066 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.326 6.142 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.035 4.957 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.930 6.762 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.381 7.793 -6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.355 7.884 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.624 6.642 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.033 6.151 -8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.365 4.838 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.137 4.826 -7.984 1.00 0.00 H new ATOM 920 N SER A 59 -2.652 4.792 -7.973 1.00 0.00 N ATOM 921 CA SER A 59 -3.522 5.317 -9.003 1.00 0.00 C ATOM 922 C SER A 59 -4.692 4.359 -9.223 1.00 0.00 C ATOM 923 O SER A 59 -5.774 4.814 -9.569 1.00 0.00 O ATOM 924 CB SER A 59 -2.728 5.533 -10.300 1.00 0.00 C ATOM 925 OG SER A 59 -3.319 6.528 -11.114 1.00 0.00 O ATOM 0 H SER A 59 -1.807 4.362 -8.349 1.00 0.00 H new ATOM 0 HA SER A 59 -3.922 6.281 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.705 5.821 -10.057 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.672 4.596 -10.853 1.00 0.00 H new ATOM 0 HG SER A 59 -2.788 6.641 -11.930 1.00 0.00 H new ATOM 931 N VAL A 60 -4.522 3.053 -8.968 1.00 0.00 N ATOM 932 CA VAL A 60 -5.604 2.073 -9.052 1.00 0.00 C ATOM 933 C VAL A 60 -6.736 2.511 -8.128 1.00 0.00 C ATOM 934 O VAL A 60 -7.909 2.463 -8.493 1.00 0.00 O ATOM 935 CB VAL A 60 -5.131 0.667 -8.621 1.00 0.00 C ATOM 936 CG1 VAL A 60 -6.222 -0.400 -8.797 1.00 0.00 C ATOM 937 CG2 VAL A 60 -3.884 0.173 -9.357 1.00 0.00 C ATOM 0 H VAL A 60 -3.625 2.650 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.938 2.021 -10.088 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.888 0.796 -7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.838 -1.369 -8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.089 -0.137 -8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.515 -0.452 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.618 -0.821 -8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.087 0.128 -10.427 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.057 0.859 -9.173 1.00 0.00 H new ATOM 947 N LEU A 61 -6.363 2.931 -6.917 1.00 0.00 N ATOM 948 CA LEU A 61 -7.318 3.371 -5.920 1.00 0.00 C ATOM 949 C LEU A 61 -7.982 4.625 -6.437 1.00 0.00 C ATOM 950 O LEU A 61 -9.201 4.705 -6.468 1.00 0.00 O ATOM 951 CB LEU A 61 -6.650 3.622 -4.556 1.00 0.00 C ATOM 952 CG LEU A 61 -6.036 2.389 -3.857 1.00 0.00 C ATOM 953 CD1 LEU A 61 -6.532 1.025 -4.346 1.00 0.00 C ATOM 954 CD2 LEU A 61 -4.531 2.390 -4.053 1.00 0.00 C ATOM 0 H LEU A 61 -5.392 2.972 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.059 2.589 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.864 4.365 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.391 4.060 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.348 2.495 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.034 0.234 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.609 0.954 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.307 0.915 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.099 1.519 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.303 2.353 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.109 3.298 -3.622 1.00 0.00 H new ATOM 966 N LEU A 62 -7.202 5.606 -6.880 1.00 0.00 N ATOM 967 CA LEU A 62 -7.760 6.888 -7.280 1.00 0.00 C ATOM 968 C LEU A 62 -8.712 6.744 -8.464 1.00 0.00 C ATOM 969 O LEU A 62 -9.768 7.365 -8.473 1.00 0.00 O ATOM 970 CB LEU A 62 -6.636 7.851 -7.668 1.00 0.00 C ATOM 971 CG LEU A 62 -5.558 8.146 -6.602 1.00 0.00 C ATOM 972 CD1 LEU A 62 -4.962 9.535 -6.805 1.00 0.00 C ATOM 973 CD2 LEU A 62 -6.018 7.940 -5.150 1.00 0.00 C ATOM 0 H LEU A 62 -6.188 5.537 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.318 7.279 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.137 7.450 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.089 8.798 -7.961 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.782 7.396 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.205 9.721 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.505 9.594 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.750 10.284 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.196 8.170 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.859 8.600 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.325 6.904 -5.009 1.00 0.00 H new ATOM 985 N SER A 63 -8.386 5.860 -9.399 1.00 0.00 N ATOM 986 CA SER A 63 -9.161 5.463 -10.562 1.00 0.00 C ATOM 987 C SER A 63 -10.484 4.785 -10.168 1.00 0.00 C ATOM 988 O SER A 63 -11.326 4.535 -11.042 1.00 0.00 O ATOM 989 CB SER A 63 -8.219 4.534 -11.336 1.00 0.00 C ATOM 990 OG SER A 63 -8.747 3.936 -12.505 1.00 0.00 O ATOM 0 H SER A 63 -7.497 5.362 -9.357 1.00 0.00 H new ATOM 0 HA SER A 63 -9.477 6.312 -11.168 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.331 5.102 -11.614 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.893 3.741 -10.664 1.00 0.00 H new ATOM 0 HG SER A 63 -8.064 3.368 -12.919 1.00 0.00 H new ATOM 996 N MET A 64 -10.684 4.497 -8.875 1.00 0.00 N ATOM 997 CA MET A 64 -11.891 3.900 -8.340 1.00 0.00 C ATOM 998 C MET A 64 -12.508 4.687 -7.175 1.00 0.00 C ATOM 999 O MET A 64 -13.634 4.382 -6.792 1.00 0.00 O ATOM 1000 CB MET A 64 -11.627 2.417 -8.013 1.00 0.00 C ATOM 1001 CG MET A 64 -11.242 2.132 -6.552 1.00 0.00 C ATOM 1002 SD MET A 64 -12.631 1.412 -5.627 1.00 0.00 S ATOM 1003 CE MET A 64 -11.982 1.504 -3.951 1.00 0.00 C ATOM 0 H MET A 64 -9.982 4.683 -8.159 1.00 0.00 H new ATOM 0 HA MET A 64 -12.661 3.948 -9.110 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.521 1.842 -8.256 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.829 2.054 -8.661 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.392 1.450 -6.525 1.00 0.00 H new ATOM 0 HG3 MET A 64 -10.924 3.057 -6.071 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.473 0.756 -3.329 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.908 1.316 -3.966 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.171 2.496 -3.542 1.00 0.00 H new ATOM 1013 N GLN A 65 -11.823 5.668 -6.576 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.348 6.391 -5.418 1.00 0.00 C ATOM 1015 C GLN A 65 -11.874 7.837 -5.273 1.00 0.00 C ATOM 1016 O GLN A 65 -12.423 8.553 -4.439 1.00 0.00 O ATOM 1017 CB GLN A 65 -12.041 5.590 -4.144 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.586 5.631 -3.649 1.00 0.00 C ATOM 1019 CD GLN A 65 -10.191 4.363 -2.893 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -10.364 4.276 -1.586 1.00 0.00 O flip ATOM 1021 NE2 GLN A 65 -9.723 3.393 -3.476 1.00 0.00 N flip ATOM 0 H GLN A 65 -10.900 5.979 -6.878 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.422 6.477 -5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.685 5.958 -3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.314 4.549 -4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.919 5.765 -4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.451 6.495 -2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.576 3.426 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.480 2.552 -2.953 1.00 0.00 H new ATOM 1030 N GLY A 66 -10.881 8.290 -6.042 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.337 9.648 -5.991 1.00 0.00 C ATOM 1032 C GLY A 66 -9.978 10.090 -4.571 1.00 0.00 C ATOM 1033 O GLY A 66 -10.371 11.182 -4.151 1.00 0.00 O ATOM 0 H GLY A 66 -10.420 7.704 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.448 9.702 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.066 10.342 -6.409 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.280 9.218 -3.825 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.767 9.502 -2.490 1.00 0.00 C ATOM 1039 C ALA A 67 -7.740 10.638 -2.513 1.00 0.00 C ATOM 1040 O ALA A 67 -7.306 11.081 -3.585 1.00 0.00 O ATOM 1041 CB ALA A 67 -8.102 8.249 -1.904 1.00 0.00 C ATOM 0 H ALA A 67 -9.056 8.277 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.613 9.805 -1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.722 8.471 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.834 7.444 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.277 7.941 -2.546 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.275 11.022 -1.327 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.255 12.053 -1.161 1.00 0.00 C ATOM 1049 C VAL A 68 -5.039 11.472 -0.533 1.00 0.00 C ATOM 1050 O VAL A 68 -3.936 11.639 -1.054 1.00 0.00 O ATOM 1051 CB VAL A 68 -6.793 13.227 -0.348 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -6.758 13.202 1.175 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -6.349 14.581 -0.907 1.00 0.00 C ATOM 0 H VAL A 68 -7.599 10.622 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.982 12.436 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.859 13.069 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.185 14.126 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.337 12.353 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.726 13.109 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.760 15.381 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.261 14.639 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.710 14.689 -1.930 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.231 10.765 0.582 1.00 0.00 N ATOM 1064 CA ASP A 69 -4.116 10.603 1.490 1.00 0.00 C ATOM 1065 C ASP A 69 -3.218 9.467 1.003 1.00 0.00 C ATOM 1066 O ASP A 69 -2.352 8.985 1.722 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.540 10.531 2.977 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.514 11.898 3.692 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -3.978 12.885 3.141 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -5.036 12.018 4.821 1.00 0.00 O ATOM 0 H ASP A 69 -6.105 10.319 0.861 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.507 11.507 1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.546 10.116 3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.878 9.843 3.502 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.388 9.035 -0.247 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.660 7.907 -0.815 1.00 0.00 C ATOM 1077 C ILE A 70 -1.163 8.198 -0.893 1.00 0.00 C ATOM 1078 O ILE A 70 -0.338 7.299 -1.008 1.00 0.00 O ATOM 1079 CB ILE A 70 -3.276 7.481 -2.167 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.995 5.997 -2.479 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.783 8.354 -3.339 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.720 5.017 -1.549 1.00 0.00 C ATOM 0 H ILE A 70 -4.044 9.466 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.762 7.051 -0.148 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.351 7.625 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.289 5.791 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.922 5.819 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.245 8.014 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.056 9.394 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.699 8.272 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.471 3.994 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.408 5.194 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.797 5.165 -1.633 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.812 9.479 -0.849 1.00 0.00 N ATOM 1095 CA ASN A 71 0.562 9.921 -0.830 1.00 0.00 C ATOM 1096 C ASN A 71 1.194 9.727 0.553 1.00 0.00 C ATOM 1097 O ASN A 71 2.411 9.580 0.647 1.00 0.00 O ATOM 1098 CB ASN A 71 0.592 11.415 -1.208 1.00 0.00 C ATOM 1099 CG ASN A 71 0.295 11.782 -2.663 1.00 0.00 C ATOM 1100 OD1 ASN A 71 0.420 12.941 -3.053 1.00 0.00 O ATOM 1101 ND2 ASN A 71 -0.151 10.850 -3.488 1.00 0.00 N ATOM 0 H ASN A 71 -1.488 10.242 -0.825 1.00 0.00 H new ATOM 0 HA ASN A 71 1.137 9.328 -1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.127 11.936 -0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.578 11.806 -0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.392 11.092 -4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.254 9.889 -3.163 1.00 0.00 H new ATOM 1108 N ARG A 72 0.391 9.702 1.626 1.00 0.00 N ATOM 1109 CA ARG A 72 0.904 9.727 2.994 1.00 0.00 C ATOM 1110 C ARG A 72 1.661 8.440 3.299 1.00 0.00 C ATOM 1111 O ARG A 72 2.817 8.496 3.727 1.00 0.00 O ATOM 1112 CB ARG A 72 -0.223 10.020 4.005 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.367 11.504 4.337 1.00 0.00 C ATOM 1114 CD ARG A 72 -0.833 12.299 3.126 1.00 0.00 C ATOM 1115 NE ARG A 72 -0.874 13.738 3.418 1.00 0.00 N ATOM 1116 CZ ARG A 72 -1.308 14.684 2.579 1.00 0.00 C ATOM 1117 NH1 ARG A 72 -2.085 14.356 1.554 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -0.983 15.951 2.786 1.00 0.00 N ATOM 0 H ARG A 72 -0.627 9.664 1.566 1.00 0.00 H new ATOM 0 HA ARG A 72 1.617 10.545 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.167 9.652 3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.030 9.466 4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.079 11.629 5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.589 11.895 4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.162 12.115 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.823 11.958 2.823 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.545 14.040 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.351 13.382 1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.416 15.078 0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.402 16.204 3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.314 16.673 2.146 1.00 0.00 H new ATOM 1132 N LEU A 73 1.031 7.284 3.058 1.00 0.00 N ATOM 1133 CA LEU A 73 1.697 5.994 3.182 1.00 0.00 C ATOM 1134 C LEU A 73 2.969 5.938 2.330 1.00 0.00 C ATOM 1135 O LEU A 73 3.942 5.352 2.789 1.00 0.00 O ATOM 1136 CB LEU A 73 0.766 4.800 2.870 1.00 0.00 C ATOM 1137 CG LEU A 73 0.227 4.727 1.424 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.120 3.300 0.870 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -1.146 5.381 1.313 1.00 0.00 C ATOM 0 H LEU A 73 0.053 7.222 2.774 1.00 0.00 H new ATOM 0 HA LEU A 73 1.982 5.899 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.306 3.877 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.083 4.838 3.553 1.00 0.00 H new ATOM 0 HG LEU A 73 0.964 5.265 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.266 3.333 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.106 2.835 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.556 2.717 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.499 5.314 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.847 4.868 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.074 6.429 1.604 1.00 0.00 H new ATOM 1151 N CYS A 74 2.990 6.534 1.126 1.00 0.00 N ATOM 1152 CA CYS A 74 4.128 6.445 0.212 1.00 0.00 C ATOM 1153 C CYS A 74 5.380 7.003 0.860 1.00 0.00 C ATOM 1154 O CYS A 74 6.422 6.348 0.820 1.00 0.00 O ATOM 1155 CB CYS A 74 3.863 7.152 -1.125 1.00 0.00 C ATOM 1156 SG CYS A 74 2.666 6.218 -2.123 1.00 0.00 S ATOM 0 H CYS A 74 2.215 7.090 0.764 1.00 0.00 H new ATOM 0 HA CYS A 74 4.277 5.387 -0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.484 8.157 -0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.797 7.260 -1.676 1.00 0.00 H new ATOM 0 HG CYS A 74 1.458 6.553 -1.778 1.00 0.00 H new ATOM 1162 N GLU A 75 5.265 8.189 1.455 1.00 0.00 N ATOM 1163 CA GLU A 75 6.385 8.855 2.100 1.00 0.00 C ATOM 1164 C GLU A 75 6.897 7.984 3.248 1.00 0.00 C ATOM 1165 O GLU A 75 8.098 7.748 3.353 1.00 0.00 O ATOM 1166 CB GLU A 75 5.967 10.243 2.587 1.00 0.00 C ATOM 1167 CG GLU A 75 5.497 11.129 1.424 1.00 0.00 C ATOM 1168 CD GLU A 75 6.412 12.323 1.165 1.00 0.00 C ATOM 1169 OE1 GLU A 75 6.315 13.349 1.878 1.00 0.00 O ATOM 1170 OE2 GLU A 75 7.184 12.266 0.177 1.00 0.00 O ATOM 0 H GLU A 75 4.390 8.712 1.501 1.00 0.00 H new ATOM 0 HA GLU A 75 7.196 8.992 1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.166 10.147 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.806 10.720 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.435 10.525 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.491 11.491 1.636 1.00 0.00 H new ATOM 1177 N GLU A 76 5.982 7.450 4.066 1.00 0.00 N ATOM 1178 CA GLU A 76 6.335 6.635 5.218 1.00 0.00 C ATOM 1179 C GLU A 76 7.105 5.388 4.782 1.00 0.00 C ATOM 1180 O GLU A 76 8.202 5.144 5.289 1.00 0.00 O ATOM 1181 CB GLU A 76 5.086 6.290 6.049 1.00 0.00 C ATOM 1182 CG GLU A 76 5.477 5.459 7.286 1.00 0.00 C ATOM 1183 CD GLU A 76 4.459 5.522 8.428 1.00 0.00 C ATOM 1184 OE1 GLU A 76 4.035 6.641 8.796 1.00 0.00 O ATOM 1185 OE2 GLU A 76 4.179 4.457 9.029 1.00 0.00 O ATOM 0 H GLU A 76 4.977 7.575 3.941 1.00 0.00 H new ATOM 0 HA GLU A 76 6.997 7.212 5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.585 7.206 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.377 5.732 5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.606 4.419 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.442 5.807 7.654 1.00 0.00 H new ATOM 1192 N MET A 77 6.553 4.582 3.872 1.00 0.00 N ATOM 1193 CA MET A 77 7.190 3.327 3.484 1.00 0.00 C ATOM 1194 C MET A 77 8.447 3.549 2.627 1.00 0.00 C ATOM 1195 O MET A 77 9.336 2.696 2.629 1.00 0.00 O ATOM 1196 CB MET A 77 6.164 2.348 2.891 1.00 0.00 C ATOM 1197 CG MET A 77 5.496 2.808 1.596 1.00 0.00 C ATOM 1198 SD MET A 77 3.941 1.946 1.225 1.00 0.00 S ATOM 1199 CE MET A 77 3.345 2.994 -0.115 1.00 0.00 C ATOM 0 H MET A 77 5.673 4.776 3.395 1.00 0.00 H new ATOM 0 HA MET A 77 7.570 2.840 4.382 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.660 1.395 2.706 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.389 2.165 3.635 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.301 3.878 1.660 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.189 2.659 0.768 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.633 2.437 -0.724 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.855 3.874 0.302 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.186 3.306 -0.734 1.00 0.00 H new ATOM 1209 N LEU A 78 8.594 4.699 1.956 1.00 0.00 N ATOM 1210 CA LEU A 78 9.875 5.099 1.370 1.00 0.00 C ATOM 1211 C LEU A 78 10.902 5.353 2.464 1.00 0.00 C ATOM 1212 O LEU A 78 12.003 4.808 2.413 1.00 0.00 O ATOM 1213 CB LEU A 78 9.739 6.395 0.541 1.00 0.00 C ATOM 1214 CG LEU A 78 9.634 6.197 -0.976 1.00 0.00 C ATOM 1215 CD1 LEU A 78 9.292 7.536 -1.634 1.00 0.00 C ATOM 1216 CD2 LEU A 78 10.946 5.651 -1.549 1.00 0.00 C ATOM 0 H LEU A 78 7.839 5.368 1.807 1.00 0.00 H new ATOM 0 HA LEU A 78 10.196 4.283 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.855 6.933 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.599 7.031 0.749 1.00 0.00 H new ATOM 0 HG LEU A 78 8.848 5.471 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.216 7.402 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.341 7.900 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.075 8.261 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.846 5.519 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.753 6.354 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.174 4.691 -1.086 1.00 0.00 H new ATOM 1228 N ASP A 79 10.593 6.196 3.438 1.00 0.00 N ATOM 1229 CA ASP A 79 11.578 6.590 4.430 1.00 0.00 C ATOM 1230 C ASP A 79 11.867 5.436 5.391 1.00 0.00 C ATOM 1231 O ASP A 79 12.950 5.362 5.972 1.00 0.00 O ATOM 1232 CB ASP A 79 11.089 7.865 5.127 1.00 0.00 C ATOM 1233 CG ASP A 79 11.730 9.141 4.564 1.00 0.00 C ATOM 1234 OD1 ASP A 79 12.268 9.126 3.435 1.00 0.00 O ATOM 1235 OD2 ASP A 79 11.593 10.207 5.222 1.00 0.00 O ATOM 0 H ASP A 79 9.672 6.618 3.561 1.00 0.00 H new ATOM 0 HA ASP A 79 12.533 6.820 3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.006 7.935 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.306 7.796 6.193 1.00 0.00 H new ATOM 1240 N ASN A 80 10.955 4.465 5.512 1.00 0.00 N ATOM 1241 CA ASN A 80 11.177 3.253 6.301 1.00 0.00 C ATOM 1242 C ASN A 80 12.218 2.349 5.654 1.00 0.00 C ATOM 1243 O ASN A 80 12.863 1.596 6.382 1.00 0.00 O ATOM 1244 CB ASN A 80 9.889 2.440 6.495 1.00 0.00 C ATOM 1245 CG ASN A 80 9.137 2.795 7.765 1.00 0.00 C ATOM 1246 OD1 ASN A 80 9.015 1.984 8.679 1.00 0.00 O ATOM 1247 ND2 ASN A 80 8.591 3.993 7.824 1.00 0.00 N ATOM 0 H ASN A 80 10.040 4.500 5.063 1.00 0.00 H new ATOM 0 HA ASN A 80 11.533 3.595 7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.235 2.600 5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.137 1.379 6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.050 4.267 8.644 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.709 4.646 7.049 1.00 0.00 H new ATOM 1254 N ARG A 81 12.397 2.365 4.324 1.00 0.00 N ATOM 1255 CA ARG A 81 13.468 1.592 3.713 1.00 0.00 C ATOM 1256 C ARG A 81 14.747 2.405 3.625 1.00 0.00 C ATOM 1257 O ARG A 81 15.827 1.846 3.776 1.00 0.00 O ATOM 1258 CB ARG A 81 13.012 0.952 2.407 1.00 0.00 C ATOM 1259 CG ARG A 81 12.569 1.799 1.225 1.00 0.00 C ATOM 1260 CD ARG A 81 13.623 1.904 0.127 1.00 0.00 C ATOM 1261 NE ARG A 81 14.729 2.843 0.400 1.00 0.00 N ATOM 1262 CZ ARG A 81 14.724 4.146 0.081 1.00 0.00 C ATOM 1263 NH1 ARG A 81 13.592 4.830 -0.005 1.00 0.00 N ATOM 1264 NH2 ARG A 81 15.860 4.779 -0.151 1.00 0.00 N ATOM 0 H ARG A 81 11.822 2.896 3.670 1.00 0.00 H new ATOM 0 HA ARG A 81 13.719 0.750 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.831 0.323 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.183 0.288 2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.658 1.374 0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.321 2.800 1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.044 0.913 -0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.131 2.207 -0.798 1.00 0.00 H new ATOM 0 HE ARG A 81 15.558 2.474 0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.701 4.366 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.612 5.820 -0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.746 4.277 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.851 5.770 -0.393 1.00 0.00 H new ATOM 1278 N ALA A 82 14.637 3.718 3.445 1.00 0.00 N ATOM 1279 CA ALA A 82 15.786 4.612 3.357 1.00 0.00 C ATOM 1280 C ALA A 82 16.576 4.700 4.665 1.00 0.00 C ATOM 1281 O ALA A 82 17.789 4.863 4.634 1.00 0.00 O ATOM 1282 CB ALA A 82 15.296 5.992 2.946 1.00 0.00 C ATOM 0 H ALA A 82 13.740 4.195 3.355 1.00 0.00 H new ATOM 0 HA ALA A 82 16.471 4.206 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.144 6.673 2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.800 5.928 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.592 6.365 3.690 1.00 0.00 H new ATOM 1288 N THR A 83 15.927 4.506 5.810 1.00 0.00 N ATOM 1289 CA THR A 83 16.549 4.601 7.132 1.00 0.00 C ATOM 1290 C THR A 83 17.525 3.435 7.367 1.00 0.00 C ATOM 1291 O THR A 83 18.196 3.361 8.396 1.00 0.00 O ATOM 1292 CB THR A 83 15.435 4.728 8.189 1.00 0.00 C ATOM 1293 OG1 THR A 83 15.877 5.375 9.364 1.00 0.00 O ATOM 1294 CG2 THR A 83 14.840 3.378 8.579 1.00 0.00 C ATOM 0 H THR A 83 14.935 4.274 5.848 1.00 0.00 H new ATOM 0 HA THR A 83 17.169 5.494 7.210 1.00 0.00 H new ATOM 0 HB THR A 83 14.666 5.334 7.711 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.137 5.434 10.003 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.060 3.526 9.326 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.412 2.901 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.622 2.741 8.992 1.00 0.00 H new