USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 825 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 72 HIS : no HD1:sc= -0.474! C(o=0.68!,f=-7.6!) USER MOD Set 1.2: B 3 THR OG1 : rot 5:sc= 1.15 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 146:sc= 1.56 (180deg=0.477) USER MOD Set 2.2: A 24 TYR OH : rot -147:sc= -1! USER MOD Single : A 15 CYS SG : rot -79:sc= -0.767 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc=-0.00637 F(o=-1.2,f=-0.0064) USER MOD Single : A 27 HIS : no HE2:sc= -0.781 X(o=-0.78,f=-0.48) USER MOD Single : A 29 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-7!) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.762) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0203 (180deg=-0.202) USER MOD Single : A 37 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.5) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -79:sc= 1.12 USER MOD Single : A 50 LYS NZ :NH3+ -145:sc= 1.28 (180deg=1.13) USER MOD Single : A 63 ASN : amide:sc= 0.92 K(o=0.92,f=-6.6!) USER MOD Single : A 66 ASN : amide:sc= 0.789 K(o=0.79,f=-5.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.18! USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 74 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.23) USER MOD Single : A 77 SER OG : rot 77:sc= 1.28 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.429 F(o=-1.2,f=-0.43) USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -0.0544 (180deg=-0.308) USER MOD Single : A 105 GLN : amide:sc=-0.000668 X(o=-0.00067,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 11 -12.144 -5.487 -3.089 1.00 0.00 N ATOM 107 CA LEU A 11 -10.839 -4.944 -3.431 1.00 0.00 C ATOM 108 C LEU A 11 -10.787 -3.440 -3.195 1.00 0.00 C ATOM 109 O LEU A 11 -11.410 -2.665 -3.926 1.00 0.00 O ATOM 110 CB LEU A 11 -10.478 -5.253 -4.891 1.00 0.00 C ATOM 111 CG LEU A 11 -10.183 -6.726 -5.223 1.00 0.00 C ATOM 112 CD1 LEU A 11 -9.197 -7.317 -4.226 1.00 0.00 C ATOM 113 CD2 LEU A 11 -11.463 -7.549 -5.267 1.00 0.00 C ATOM 0 HA LEU A 11 -10.109 -5.424 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.299 -4.917 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.604 -4.660 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.730 -6.759 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.003 -8.359 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.264 -6.755 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.617 -7.261 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.221 -8.585 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.958 -7.504 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.128 -7.147 -6.032 1.00 0.00 H new ATOM 125 N PRO A 12 -10.053 -3.011 -2.158 1.00 0.00 N ATOM 126 CA PRO A 12 -9.815 -1.608 -1.895 1.00 0.00 C ATOM 127 C PRO A 12 -8.588 -1.126 -2.654 1.00 0.00 C ATOM 128 O PRO A 12 -7.539 -1.779 -2.646 1.00 0.00 O ATOM 129 CB PRO A 12 -9.588 -1.578 -0.384 1.00 0.00 C ATOM 130 CG PRO A 12 -9.008 -2.917 -0.045 1.00 0.00 C ATOM 131 CD PRO A 12 -9.378 -3.867 -1.164 1.00 0.00 C ATOM 0 HA PRO A 12 -10.629 -0.956 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.909 -0.773 -0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.522 -1.407 0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.925 -2.851 0.060 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.399 -3.275 0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.496 -4.348 -1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.035 -4.661 -0.811 1.00 0.00 H new ATOM 139 N ARG A 13 -8.710 -0.002 -3.327 1.00 0.00 N ATOM 140 CA ARG A 13 -7.637 0.454 -4.180 1.00 0.00 C ATOM 141 C ARG A 13 -6.649 1.306 -3.399 1.00 0.00 C ATOM 142 O ARG A 13 -7.029 2.272 -2.737 1.00 0.00 O ATOM 143 CB ARG A 13 -8.203 1.240 -5.357 1.00 0.00 C ATOM 144 CG ARG A 13 -7.161 1.610 -6.391 1.00 0.00 C ATOM 145 CD ARG A 13 -7.802 2.235 -7.615 1.00 0.00 C ATOM 146 NE ARG A 13 -6.829 2.522 -8.664 1.00 0.00 N ATOM 147 CZ ARG A 13 -7.080 2.368 -9.961 1.00 0.00 C ATOM 148 NH1 ARG A 13 -8.241 1.863 -10.360 1.00 0.00 N ATOM 149 NH2 ARG A 13 -6.169 2.705 -10.864 1.00 0.00 N ATOM 0 H ARG A 13 -9.530 0.605 -3.301 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.105 -0.418 -4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.985 0.650 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.673 2.150 -4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.445 2.307 -5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.603 0.721 -6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.566 1.563 -8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.306 3.158 -7.327 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.907 2.859 -8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.943 1.592 -9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.431 1.746 -11.355 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.271 3.084 -10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.367 2.585 -11.857 1.00 0.00 H new ATOM 163 N LEU A 14 -5.382 0.937 -3.489 1.00 0.00 N ATOM 164 CA LEU A 14 -4.316 1.700 -2.868 1.00 0.00 C ATOM 165 C LEU A 14 -3.798 2.713 -3.876 1.00 0.00 C ATOM 166 O LEU A 14 -3.102 2.359 -4.831 1.00 0.00 O ATOM 167 CB LEU A 14 -3.194 0.757 -2.401 1.00 0.00 C ATOM 168 CG LEU A 14 -2.243 1.312 -1.326 1.00 0.00 C ATOM 169 CD1 LEU A 14 -1.372 0.196 -0.766 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.365 2.423 -1.883 1.00 0.00 C ATOM 0 H LEU A 14 -5.067 0.107 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.690 2.227 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.651 -0.155 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.600 0.474 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.853 1.730 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.704 0.602 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.005 -0.571 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.782 -0.244 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.705 2.793 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.767 2.035 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.993 3.238 -2.243 1.00 0.00 H new ATOM 182 N CYS A 15 -4.166 3.962 -3.679 1.00 0.00 N ATOM 183 CA CYS A 15 -3.796 5.019 -4.600 1.00 0.00 C ATOM 184 C CYS A 15 -2.681 5.881 -4.020 1.00 0.00 C ATOM 185 O CYS A 15 -2.828 6.449 -2.940 1.00 0.00 O ATOM 186 CB CYS A 15 -5.017 5.886 -4.905 1.00 0.00 C ATOM 187 SG CYS A 15 -6.416 4.974 -5.596 1.00 0.00 S ATOM 0 H CYS A 15 -4.725 4.272 -2.884 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.432 4.563 -5.521 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.337 6.380 -3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.727 6.670 -5.605 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.210 4.756 -6.861 1.00 0.00 H new ATOM 193 N CYS A 16 -1.566 5.966 -4.730 1.00 0.00 N ATOM 194 CA CYS A 16 -0.479 6.838 -4.319 1.00 0.00 C ATOM 195 C CYS A 16 -0.565 8.150 -5.085 1.00 0.00 C ATOM 196 O CYS A 16 -0.277 8.204 -6.283 1.00 0.00 O ATOM 197 CB CYS A 16 0.874 6.173 -4.566 1.00 0.00 C ATOM 198 SG CYS A 16 1.038 4.522 -3.838 1.00 0.00 S ATOM 0 H CYS A 16 -1.392 5.444 -5.589 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.570 7.033 -3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.039 6.101 -5.641 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.659 6.814 -4.165 1.00 0.00 H new ATOM 0 HG CYS A 16 2.217 4.045 -4.106 1.00 0.00 H new ATOM 204 N LEU A 17 -0.973 9.198 -4.391 1.00 0.00 N ATOM 205 CA LEU A 17 -1.162 10.497 -5.016 1.00 0.00 C ATOM 206 C LEU A 17 0.048 11.385 -4.783 1.00 0.00 C ATOM 207 O LEU A 17 0.606 11.419 -3.682 1.00 0.00 O ATOM 208 CB LEU A 17 -2.426 11.193 -4.489 1.00 0.00 C ATOM 209 CG LEU A 17 -3.758 10.549 -4.891 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.042 9.304 -4.068 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.894 11.548 -4.755 1.00 0.00 C ATOM 0 H LEU A 17 -1.180 9.175 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.282 10.330 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.373 11.225 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.423 12.225 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.681 10.247 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.993 8.872 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.245 8.576 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.091 9.569 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.832 11.074 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.961 11.884 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.705 12.404 -5.403 1.00 0.00 H new ATOM 223 N GLU A 18 0.448 12.090 -5.830 1.00 0.00 N ATOM 224 CA GLU A 18 1.576 13.004 -5.757 1.00 0.00 C ATOM 225 C GLU A 18 1.115 14.405 -5.380 1.00 0.00 C ATOM 226 O GLU A 18 0.130 14.908 -5.920 1.00 0.00 O ATOM 227 CB GLU A 18 2.289 13.082 -7.104 1.00 0.00 C ATOM 228 CG GLU A 18 2.837 11.760 -7.606 1.00 0.00 C ATOM 229 CD GLU A 18 3.368 11.877 -9.017 1.00 0.00 C ATOM 230 OE1 GLU A 18 4.408 12.541 -9.211 1.00 0.00 O ATOM 231 OE2 GLU A 18 2.724 11.343 -9.944 1.00 0.00 O ATOM 0 H GLU A 18 0.004 12.045 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 18 2.256 12.623 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.595 13.477 -7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.110 13.794 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.634 11.421 -6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.052 11.004 -7.574 1.00 0.00 H new ATOM 238 N LYS A 19 1.829 15.030 -4.459 1.00 0.00 N ATOM 239 CA LYS A 19 1.606 16.431 -4.145 1.00 0.00 C ATOM 240 C LYS A 19 2.018 17.277 -5.345 1.00 0.00 C ATOM 241 O LYS A 19 3.205 17.479 -5.598 1.00 0.00 O ATOM 242 CB LYS A 19 2.402 16.834 -2.895 1.00 0.00 C ATOM 243 CG LYS A 19 2.357 18.326 -2.570 1.00 0.00 C ATOM 244 CD LYS A 19 0.952 18.818 -2.249 1.00 0.00 C ATOM 245 CE LYS A 19 0.351 18.111 -1.045 1.00 0.00 C ATOM 246 NZ LYS A 19 1.199 18.223 0.176 1.00 0.00 N ATOM 0 H LYS A 19 2.570 14.588 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 19 0.550 16.596 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.019 16.277 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.442 16.535 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.011 18.528 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.750 18.890 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.980 19.891 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.309 18.664 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.633 18.531 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.204 17.058 -1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.590 18.274 1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.818 17.390 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.781 19.083 0.117 1.00 0.00 H new ATOM 260 N GLY A 20 1.027 17.732 -6.096 1.00 0.00 N ATOM 261 CA GLY A 20 1.293 18.481 -7.307 1.00 0.00 C ATOM 262 C GLY A 20 1.490 19.958 -7.048 1.00 0.00 C ATOM 263 O GLY A 20 2.321 20.339 -6.223 1.00 0.00 O ATOM 0 H GLY A 20 0.038 17.595 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.184 18.079 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.465 18.345 -8.003 1.00 0.00 H new ATOM 267 N PRO A 21 0.736 20.820 -7.748 1.00 0.00 N ATOM 268 CA PRO A 21 0.853 22.268 -7.591 1.00 0.00 C ATOM 269 C PRO A 21 0.529 22.722 -6.171 1.00 0.00 C ATOM 270 O PRO A 21 1.404 23.200 -5.448 1.00 0.00 O ATOM 271 CB PRO A 21 -0.164 22.835 -8.591 1.00 0.00 C ATOM 272 CG PRO A 21 -1.088 21.707 -8.899 1.00 0.00 C ATOM 273 CD PRO A 21 -0.278 20.452 -8.751 1.00 0.00 C ATOM 0 HA PRO A 21 1.871 22.613 -7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.704 23.680 -8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.331 23.195 -9.493 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.939 21.704 -8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.488 21.796 -9.909 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.890 19.615 -8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.179 20.154 -9.695 1.00 0.00 H new ATOM 281 N ASN A 22 -0.725 22.549 -5.763 1.00 0.00 N ATOM 282 CA ASN A 22 -1.170 22.992 -4.447 1.00 0.00 C ATOM 283 C ASN A 22 -2.026 21.932 -3.771 1.00 0.00 C ATOM 284 O ASN A 22 -2.919 22.264 -2.999 1.00 0.00 O ATOM 285 CB ASN A 22 -1.984 24.290 -4.551 1.00 0.00 C ATOM 286 CG ASN A 22 -1.168 25.500 -4.968 1.00 0.00 C ATOM 287 OD1 ASN A 22 0.095 25.541 -4.576 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -1.680 26.401 -5.635 1.00 0.00 N flip ATOM 0 H ASN A 22 -1.451 22.105 -6.326 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.275 23.169 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.791 24.144 -5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.449 24.493 -3.586 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.657 26.333 -5.918 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.126 27.214 -5.904 1.00 0.00 H new ATOM 295 N GLY A 23 -1.754 20.662 -4.049 1.00 0.00 N ATOM 296 CA GLY A 23 -2.585 19.608 -3.502 1.00 0.00 C ATOM 297 C GLY A 23 -2.632 18.377 -4.383 1.00 0.00 C ATOM 298 O GLY A 23 -1.630 18.013 -5.003 1.00 0.00 O ATOM 0 H GLY A 23 -0.982 20.346 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.209 19.330 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.597 19.987 -3.361 1.00 0.00 H new ATOM 302 N TYR A 24 -3.802 17.749 -4.454 1.00 0.00 N ATOM 303 CA TYR A 24 -3.952 16.482 -5.161 1.00 0.00 C ATOM 304 C TYR A 24 -5.033 16.563 -6.236 1.00 0.00 C ATOM 305 O TYR A 24 -5.072 15.734 -7.142 1.00 0.00 O ATOM 306 CB TYR A 24 -4.256 15.362 -4.168 1.00 0.00 C ATOM 307 CG TYR A 24 -3.199 15.240 -3.094 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.973 14.647 -3.367 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.418 15.737 -1.817 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.998 14.555 -2.399 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.446 15.651 -0.845 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.240 15.056 -1.139 1.00 0.00 C ATOM 313 OH TYR A 24 -0.270 14.976 -0.173 1.00 0.00 O ATOM 0 H TYR A 24 -4.661 18.098 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.011 16.262 -5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.224 15.547 -3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.336 14.416 -4.704 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.781 14.252 -4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.366 16.199 -1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.049 14.093 -2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.629 16.048 0.142 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.691 14.861 0.705 1.00 0.00 H new ATOM 323 N GLY A 25 -5.921 17.541 -6.121 1.00 0.00 N ATOM 324 CA GLY A 25 -6.824 17.846 -7.217 1.00 0.00 C ATOM 325 C GLY A 25 -8.192 17.192 -7.115 1.00 0.00 C ATOM 326 O GLY A 25 -8.861 17.000 -8.126 1.00 0.00 O ATOM 0 H GLY A 25 -6.033 18.127 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.956 18.927 -7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.357 17.535 -8.152 1.00 0.00 H new ATOM 330 N PHE A 26 -8.621 16.842 -5.917 1.00 0.00 N ATOM 331 CA PHE A 26 -9.989 16.381 -5.725 1.00 0.00 C ATOM 332 C PHE A 26 -10.555 17.039 -4.488 1.00 0.00 C ATOM 333 O PHE A 26 -9.806 17.419 -3.599 1.00 0.00 O ATOM 334 CB PHE A 26 -10.059 14.853 -5.600 1.00 0.00 C ATOM 335 CG PHE A 26 -9.325 14.295 -4.412 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.960 14.076 -4.466 1.00 0.00 C ATOM 337 CD2 PHE A 26 -10.003 13.986 -3.244 1.00 0.00 C ATOM 338 CE1 PHE A 26 -7.285 13.561 -3.378 1.00 0.00 C ATOM 339 CE2 PHE A 26 -9.332 13.469 -2.152 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.973 13.258 -2.221 1.00 0.00 C ATOM 0 H PHE A 26 -8.053 16.866 -5.070 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.579 16.658 -6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -11.105 14.553 -5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.651 14.407 -6.507 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.417 14.311 -5.369 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.069 14.151 -3.186 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.219 13.395 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.872 13.231 -1.247 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.445 12.855 -1.369 1.00 0.00 H new ATOM 350 N HIS A 27 -11.863 17.186 -4.419 1.00 0.00 N ATOM 351 CA HIS A 27 -12.458 17.806 -3.249 1.00 0.00 C ATOM 352 C HIS A 27 -13.380 16.830 -2.541 1.00 0.00 C ATOM 353 O HIS A 27 -14.300 16.256 -3.139 1.00 0.00 O ATOM 354 CB HIS A 27 -13.155 19.141 -3.584 1.00 0.00 C ATOM 355 CG HIS A 27 -14.446 19.049 -4.337 1.00 0.00 C ATOM 356 ND1 HIS A 27 -15.656 19.325 -3.754 1.00 0.00 N ATOM 357 CD2 HIS A 27 -14.711 18.779 -5.635 1.00 0.00 C ATOM 358 CE1 HIS A 27 -16.611 19.232 -4.652 1.00 0.00 C ATOM 359 NE2 HIS A 27 -16.069 18.902 -5.808 1.00 0.00 N ATOM 0 H HIS A 27 -12.522 16.893 -5.140 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.653 18.060 -2.559 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -13.341 19.672 -2.651 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -12.463 19.751 -4.165 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -15.794 19.566 -2.772 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.990 18.516 -6.395 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -17.663 19.398 -4.473 1.00 0.00 H new ATOM 368 N LEU A 28 -13.092 16.630 -1.269 1.00 0.00 N ATOM 369 CA LEU A 28 -13.778 15.645 -0.463 1.00 0.00 C ATOM 370 C LEU A 28 -14.752 16.331 0.477 1.00 0.00 C ATOM 371 O LEU A 28 -14.444 17.373 1.057 1.00 0.00 O ATOM 372 CB LEU A 28 -12.752 14.808 0.316 1.00 0.00 C ATOM 373 CG LEU A 28 -13.320 13.732 1.248 1.00 0.00 C ATOM 374 CD1 LEU A 28 -12.390 12.532 1.286 1.00 0.00 C ATOM 375 CD2 LEU A 28 -13.508 14.278 2.657 1.00 0.00 C ATOM 0 H LEU A 28 -12.372 17.149 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.347 14.976 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.090 14.324 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.138 15.485 0.910 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.292 13.426 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.802 11.773 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.288 12.119 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.411 12.842 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.912 13.496 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.547 14.610 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.200 15.120 2.632 1.00 0.00 H new ATOM 387 N HIS A 29 -15.926 15.745 0.617 1.00 0.00 N ATOM 388 CA HIS A 29 -16.947 16.287 1.496 1.00 0.00 C ATOM 389 C HIS A 29 -17.098 15.399 2.720 1.00 0.00 C ATOM 390 O HIS A 29 -16.957 14.177 2.630 1.00 0.00 O ATOM 391 CB HIS A 29 -18.288 16.451 0.769 1.00 0.00 C ATOM 392 CG HIS A 29 -18.839 15.193 0.165 1.00 0.00 C ATOM 393 ND1 HIS A 29 -18.626 14.837 -1.147 1.00 0.00 N ATOM 394 CD2 HIS A 29 -19.617 14.218 0.694 1.00 0.00 C ATOM 395 CE1 HIS A 29 -19.247 13.699 -1.400 1.00 0.00 C ATOM 396 NE2 HIS A 29 -19.856 13.303 -0.301 1.00 0.00 N ATOM 0 H HIS A 29 -16.198 14.890 0.132 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.631 17.280 1.816 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.019 16.849 1.472 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -18.168 17.193 -0.020 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -19.981 14.170 1.710 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -19.254 13.181 -2.348 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -20.414 12.455 -0.205 1.00 0.00 H new ATOM 405 N GLY A 30 -17.352 16.016 3.864 1.00 0.00 N ATOM 406 CA GLY A 30 -17.470 15.268 5.096 1.00 0.00 C ATOM 407 C GLY A 30 -18.843 15.408 5.705 1.00 0.00 C ATOM 408 O GLY A 30 -19.413 16.501 5.720 1.00 0.00 O ATOM 0 H GLY A 30 -17.479 17.024 3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.263 14.215 4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.720 15.616 5.806 1.00 0.00 H new ATOM 412 N GLU A 31 -19.380 14.307 6.196 1.00 0.00 N ATOM 413 CA GLU A 31 -20.714 14.297 6.767 1.00 0.00 C ATOM 414 C GLU A 31 -20.708 13.661 8.148 1.00 0.00 C ATOM 415 O GLU A 31 -19.747 12.989 8.524 1.00 0.00 O ATOM 416 CB GLU A 31 -21.685 13.556 5.845 1.00 0.00 C ATOM 417 CG GLU A 31 -21.259 12.137 5.514 1.00 0.00 C ATOM 418 CD GLU A 31 -22.252 11.434 4.619 1.00 0.00 C ATOM 419 OE1 GLU A 31 -22.223 11.665 3.392 1.00 0.00 O ATOM 420 OE2 GLU A 31 -23.079 10.654 5.143 1.00 0.00 O ATOM 0 H GLU A 31 -18.909 13.402 6.211 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.047 15.330 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.668 13.529 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.791 14.119 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.284 12.157 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -21.141 11.571 6.438 1.00 0.00 H new ATOM 427 N LYS A 32 -21.760 13.947 8.910 1.00 0.00 N ATOM 428 CA LYS A 32 -21.993 13.333 10.215 1.00 0.00 C ATOM 429 C LYS A 32 -20.933 13.762 11.223 1.00 0.00 C ATOM 430 O LYS A 32 -20.723 13.097 12.238 1.00 0.00 O ATOM 431 CB LYS A 32 -22.022 11.802 10.104 1.00 0.00 C ATOM 432 CG LYS A 32 -22.972 11.269 9.039 1.00 0.00 C ATOM 433 CD LYS A 32 -24.393 11.768 9.245 1.00 0.00 C ATOM 434 CE LYS A 32 -25.342 11.201 8.197 1.00 0.00 C ATOM 435 NZ LYS A 32 -24.968 11.605 6.813 1.00 0.00 N ATOM 0 H LYS A 32 -22.480 14.616 8.638 1.00 0.00 H new ATOM 0 HA LYS A 32 -22.965 13.677 10.569 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.015 11.446 9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.307 11.385 11.070 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.620 11.573 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -22.964 10.179 9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.738 11.486 10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -24.407 12.857 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -25.347 10.113 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -26.357 11.538 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -25.786 11.482 6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.676 12.603 6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -24.181 11.013 6.479 1.00 0.00 H new ATOM 449 N GLY A 33 -20.262 14.872 10.940 1.00 0.00 N ATOM 450 CA GLY A 33 -19.236 15.370 11.838 1.00 0.00 C ATOM 451 C GLY A 33 -17.900 14.686 11.621 1.00 0.00 C ATOM 452 O GLY A 33 -16.881 15.345 11.404 1.00 0.00 O ATOM 0 H GLY A 33 -20.410 15.437 10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.120 16.444 11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.555 15.220 12.869 1.00 0.00 H new ATOM 456 N LYS A 34 -17.907 13.363 11.675 1.00 0.00 N ATOM 457 CA LYS A 34 -16.698 12.581 11.492 1.00 0.00 C ATOM 458 C LYS A 34 -16.897 11.545 10.404 1.00 0.00 C ATOM 459 O LYS A 34 -16.311 11.641 9.330 1.00 0.00 O ATOM 460 CB LYS A 34 -16.299 11.878 12.791 1.00 0.00 C ATOM 461 CG LYS A 34 -15.930 12.830 13.909 1.00 0.00 C ATOM 462 CD LYS A 34 -15.521 12.082 15.166 1.00 0.00 C ATOM 463 CE LYS A 34 -16.691 11.323 15.778 1.00 0.00 C ATOM 464 NZ LYS A 34 -17.770 12.236 16.244 1.00 0.00 N ATOM 0 H LYS A 34 -18.745 12.806 11.846 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.901 13.265 11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.124 11.247 13.121 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.454 11.219 12.593 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.112 13.473 13.585 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.777 13.479 14.130 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.719 11.383 14.928 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.124 12.787 15.896 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.097 10.629 15.042 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.335 10.725 16.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.436 11.709 16.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.353 13.015 16.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.276 12.623 15.422 1.00 0.00 H new ATOM 478 N LEU A 35 -17.755 10.577 10.682 1.00 0.00 N ATOM 479 CA LEU A 35 -17.914 9.426 9.806 1.00 0.00 C ATOM 480 C LEU A 35 -18.578 9.812 8.493 1.00 0.00 C ATOM 481 O LEU A 35 -19.745 10.199 8.465 1.00 0.00 O ATOM 482 CB LEU A 35 -18.744 8.341 10.492 1.00 0.00 C ATOM 483 CG LEU A 35 -18.322 7.985 11.919 1.00 0.00 C ATOM 484 CD1 LEU A 35 -19.169 6.841 12.445 1.00 0.00 C ATOM 485 CD2 LEU A 35 -16.847 7.624 11.974 1.00 0.00 C ATOM 0 H LEU A 35 -18.353 10.565 11.508 1.00 0.00 H new ATOM 0 HA LEU A 35 -16.917 9.042 9.591 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -19.785 8.663 10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.701 7.437 9.884 1.00 0.00 H new ATOM 0 HG LEU A 35 -18.479 8.858 12.552 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.860 6.596 13.461 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.218 7.136 12.446 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.038 5.968 11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.571 7.375 12.999 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.658 6.766 11.329 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.252 8.472 11.634 1.00 0.00 H new ATOM 497 N GLY A 36 -17.842 9.665 7.406 1.00 0.00 N ATOM 498 CA GLY A 36 -18.389 9.975 6.101 1.00 0.00 C ATOM 499 C GLY A 36 -17.445 10.787 5.237 1.00 0.00 C ATOM 500 O GLY A 36 -17.699 11.960 4.960 1.00 0.00 O ATOM 0 H GLY A 36 -16.876 9.337 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -18.634 9.046 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.321 10.525 6.226 1.00 0.00 H new ATOM 504 N GLN A 37 -16.350 10.172 4.816 1.00 0.00 N ATOM 505 CA GLN A 37 -15.446 10.803 3.871 1.00 0.00 C ATOM 506 C GLN A 37 -15.740 10.287 2.468 1.00 0.00 C ATOM 507 O GLN A 37 -15.565 9.099 2.191 1.00 0.00 O ATOM 508 CB GLN A 37 -13.980 10.501 4.215 1.00 0.00 C ATOM 509 CG GLN A 37 -13.509 11.013 5.571 1.00 0.00 C ATOM 510 CD GLN A 37 -14.068 10.228 6.744 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.406 9.048 6.620 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.151 10.872 7.896 1.00 0.00 N ATOM 0 H GLN A 37 -16.068 9.238 5.114 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.600 11.881 3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.831 9.422 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.346 10.934 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.420 10.976 5.606 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.796 12.059 5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.861 11.848 7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.505 10.393 8.724 1.00 0.00 H new ATOM 521 N TYR A 38 -16.179 11.173 1.586 1.00 0.00 N ATOM 522 CA TYR A 38 -16.506 10.784 0.218 1.00 0.00 C ATOM 523 C TYR A 38 -15.974 11.805 -0.776 1.00 0.00 C ATOM 524 O TYR A 38 -16.028 13.013 -0.529 1.00 0.00 O ATOM 525 CB TYR A 38 -18.022 10.648 0.032 1.00 0.00 C ATOM 526 CG TYR A 38 -18.682 9.619 0.924 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.490 8.262 0.709 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.502 10.009 1.973 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.095 7.320 1.518 1.00 0.00 C ATOM 530 CE2 TYR A 38 -20.112 9.074 2.786 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.907 7.731 2.553 1.00 0.00 C ATOM 532 OH TYR A 38 -20.515 6.796 3.358 1.00 0.00 O ATOM 0 H TYR A 38 -16.317 12.163 1.790 1.00 0.00 H new ATOM 0 HA TYR A 38 -16.034 9.819 0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.485 11.618 0.216 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -18.224 10.390 -1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.857 7.937 -0.104 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.666 11.061 2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -18.933 6.267 1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.746 9.393 3.600 1.00 0.00 H new ATOM 0 HH TYR A 38 -21.052 7.251 4.040 1.00 0.00 H new ATOM 542 N ILE A 39 -15.459 11.315 -1.897 1.00 0.00 N ATOM 543 CA ILE A 39 -14.996 12.183 -2.969 1.00 0.00 C ATOM 544 C ILE A 39 -16.188 12.695 -3.763 1.00 0.00 C ATOM 545 O ILE A 39 -17.067 11.921 -4.130 1.00 0.00 O ATOM 546 CB ILE A 39 -14.050 11.440 -3.939 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.996 10.639 -3.173 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.377 12.426 -4.883 1.00 0.00 C ATOM 549 CD1 ILE A 39 -12.121 11.476 -2.273 1.00 0.00 C ATOM 0 H ILE A 39 -15.352 10.318 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.451 13.007 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.649 10.743 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.497 9.881 -2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.365 10.112 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.714 11.887 -5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.136 12.952 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.798 13.146 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.401 10.834 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.589 12.217 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.740 11.982 -1.532 1.00 0.00 H new ATOM 561 N ARG A 40 -16.224 13.995 -4.019 1.00 0.00 N ATOM 562 CA ARG A 40 -17.313 14.574 -4.797 1.00 0.00 C ATOM 563 C ARG A 40 -16.933 14.649 -6.269 1.00 0.00 C ATOM 564 O ARG A 40 -17.670 14.188 -7.136 1.00 0.00 O ATOM 565 CB ARG A 40 -17.673 15.969 -4.277 1.00 0.00 C ATOM 566 CG ARG A 40 -18.770 16.663 -5.078 1.00 0.00 C ATOM 567 CD ARG A 40 -20.123 15.992 -4.900 1.00 0.00 C ATOM 568 NE ARG A 40 -20.667 16.176 -3.553 1.00 0.00 N ATOM 569 CZ ARG A 40 -21.749 15.542 -3.102 1.00 0.00 C ATOM 570 NH1 ARG A 40 -22.382 14.676 -3.882 1.00 0.00 N ATOM 571 NH2 ARG A 40 -22.199 15.776 -1.872 1.00 0.00 N ATOM 0 H ARG A 40 -15.521 14.663 -3.704 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.185 13.929 -4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.992 15.888 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.779 16.592 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.840 17.706 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.502 16.662 -6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.824 16.396 -5.630 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -20.026 14.926 -5.107 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.192 16.825 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -22.041 14.496 -4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.210 14.190 -3.538 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.716 16.443 -1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.027 15.289 -1.531 1.00 0.00 H new ATOM 585 N LEU A 41 -15.775 15.229 -6.542 1.00 0.00 N ATOM 586 CA LEU A 41 -15.301 15.372 -7.907 1.00 0.00 C ATOM 587 C LEU A 41 -13.782 15.417 -7.928 1.00 0.00 C ATOM 588 O LEU A 41 -13.155 15.930 -6.994 1.00 0.00 O ATOM 589 CB LEU A 41 -15.876 16.639 -8.548 1.00 0.00 C ATOM 590 CG LEU A 41 -15.558 16.821 -10.037 1.00 0.00 C ATOM 591 CD1 LEU A 41 -16.174 15.695 -10.855 1.00 0.00 C ATOM 592 CD2 LEU A 41 -16.054 18.170 -10.526 1.00 0.00 C ATOM 0 H LEU A 41 -15.146 15.609 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.639 14.511 -8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.959 16.631 -8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.499 17.505 -8.004 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.476 16.786 -10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.938 15.840 -11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.770 14.739 -10.521 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.256 15.698 -10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.820 18.282 -11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.133 18.234 -10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.566 18.964 -9.961 1.00 0.00 H new ATOM 604 N VAL A 42 -13.206 14.875 -8.988 1.00 0.00 N ATOM 605 CA VAL A 42 -11.765 14.846 -9.159 1.00 0.00 C ATOM 606 C VAL A 42 -11.367 15.590 -10.434 1.00 0.00 C ATOM 607 O VAL A 42 -11.995 15.431 -11.485 1.00 0.00 O ATOM 608 CB VAL A 42 -11.245 13.388 -9.195 1.00 0.00 C ATOM 609 CG1 VAL A 42 -12.015 12.548 -10.202 1.00 0.00 C ATOM 610 CG2 VAL A 42 -9.758 13.349 -9.498 1.00 0.00 C ATOM 0 H VAL A 42 -13.725 14.443 -9.753 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.308 15.348 -8.306 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.407 12.959 -8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.624 11.530 -10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.071 12.531 -9.931 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.903 12.979 -11.197 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.418 12.314 -9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.572 13.811 -10.468 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.215 13.895 -8.726 1.00 0.00 H new ATOM 620 N GLU A 43 -10.336 16.419 -10.327 1.00 0.00 N ATOM 621 CA GLU A 43 -9.874 17.235 -11.433 1.00 0.00 C ATOM 622 C GLU A 43 -9.234 16.360 -12.506 1.00 0.00 C ATOM 623 O GLU A 43 -8.425 15.489 -12.202 1.00 0.00 O ATOM 624 CB GLU A 43 -8.863 18.255 -10.913 1.00 0.00 C ATOM 625 CG GLU A 43 -8.514 19.333 -11.911 1.00 0.00 C ATOM 626 CD GLU A 43 -7.453 20.278 -11.399 1.00 0.00 C ATOM 627 OE1 GLU A 43 -7.771 21.125 -10.540 1.00 0.00 O ATOM 628 OE2 GLU A 43 -6.299 20.182 -11.858 1.00 0.00 O ATOM 0 H GLU A 43 -9.799 16.542 -9.469 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.722 17.756 -11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.263 18.722 -10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.951 17.733 -10.623 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.167 18.869 -12.834 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.412 19.900 -12.157 1.00 0.00 H new ATOM 635 N PRO A 44 -9.590 16.598 -13.776 1.00 0.00 N ATOM 636 CA PRO A 44 -9.114 15.801 -14.920 1.00 0.00 C ATOM 637 C PRO A 44 -7.593 15.791 -15.062 1.00 0.00 C ATOM 638 O PRO A 44 -7.021 14.875 -15.652 1.00 0.00 O ATOM 639 CB PRO A 44 -9.748 16.498 -16.130 1.00 0.00 C ATOM 640 CG PRO A 44 -10.127 17.853 -15.642 1.00 0.00 C ATOM 641 CD PRO A 44 -10.500 17.670 -14.205 1.00 0.00 C ATOM 0 HA PRO A 44 -9.389 14.752 -14.808 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.046 16.560 -16.962 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.619 15.950 -16.489 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.299 18.554 -15.746 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -10.961 18.258 -16.216 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.353 18.583 -13.628 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.546 17.385 -14.090 1.00 0.00 H new ATOM 649 N GLY A 45 -6.947 16.816 -14.528 1.00 0.00 N ATOM 650 CA GLY A 45 -5.503 16.906 -14.607 1.00 0.00 C ATOM 651 C GLY A 45 -4.844 16.785 -13.250 1.00 0.00 C ATOM 652 O GLY A 45 -3.849 17.453 -12.970 1.00 0.00 O ATOM 0 H GLY A 45 -7.398 17.590 -14.040 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.128 16.120 -15.262 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.225 17.858 -15.060 1.00 0.00 H new ATOM 656 N SER A 46 -5.396 15.935 -12.403 1.00 0.00 N ATOM 657 CA SER A 46 -4.867 15.754 -11.064 1.00 0.00 C ATOM 658 C SER A 46 -4.202 14.390 -10.933 1.00 0.00 C ATOM 659 O SER A 46 -4.518 13.459 -11.677 1.00 0.00 O ATOM 660 CB SER A 46 -5.992 15.879 -10.040 1.00 0.00 C ATOM 661 OG SER A 46 -6.928 14.825 -10.179 1.00 0.00 O ATOM 0 H SER A 46 -6.210 15.360 -12.619 1.00 0.00 H new ATOM 0 HA SER A 46 -4.121 16.527 -10.878 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.574 15.868 -9.033 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.497 16.837 -10.165 1.00 0.00 H new ATOM 0 HG SER A 46 -7.527 15.017 -10.930 1.00 0.00 H new ATOM 667 N PRO A 47 -3.263 14.260 -9.982 1.00 0.00 N ATOM 668 CA PRO A 47 -2.634 12.977 -9.655 1.00 0.00 C ATOM 669 C PRO A 47 -3.645 11.971 -9.124 1.00 0.00 C ATOM 670 O PRO A 47 -3.381 10.773 -9.097 1.00 0.00 O ATOM 671 CB PRO A 47 -1.616 13.332 -8.567 1.00 0.00 C ATOM 672 CG PRO A 47 -2.080 14.633 -8.017 1.00 0.00 C ATOM 673 CD PRO A 47 -2.722 15.357 -9.165 1.00 0.00 C ATOM 0 HA PRO A 47 -2.185 12.510 -10.531 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.582 12.566 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.610 13.414 -8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.790 14.483 -7.203 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.246 15.206 -7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.506 16.035 -8.828 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.000 15.956 -9.720 1.00 0.00 H new ATOM 681 N ALA A 48 -4.805 12.468 -8.699 1.00 0.00 N ATOM 682 CA ALA A 48 -5.888 11.607 -8.249 1.00 0.00 C ATOM 683 C ALA A 48 -6.369 10.723 -9.399 1.00 0.00 C ATOM 684 O ALA A 48 -6.572 9.519 -9.225 1.00 0.00 O ATOM 685 CB ALA A 48 -7.032 12.439 -7.687 1.00 0.00 C ATOM 0 H ALA A 48 -5.016 13.465 -8.658 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.517 10.963 -7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.833 11.779 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.673 13.027 -6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.410 13.108 -8.460 1.00 0.00 H new ATOM 691 N GLU A 49 -6.518 11.329 -10.579 1.00 0.00 N ATOM 692 CA GLU A 49 -6.864 10.590 -11.795 1.00 0.00 C ATOM 693 C GLU A 49 -5.836 9.508 -12.070 1.00 0.00 C ATOM 694 O GLU A 49 -6.174 8.349 -12.315 1.00 0.00 O ATOM 695 CB GLU A 49 -6.895 11.539 -12.994 1.00 0.00 C ATOM 696 CG GLU A 49 -8.072 12.483 -13.007 1.00 0.00 C ATOM 697 CD GLU A 49 -9.339 11.821 -13.513 1.00 0.00 C ATOM 698 OE1 GLU A 49 -9.380 11.436 -14.701 1.00 0.00 O ATOM 699 OE2 GLU A 49 -10.301 11.677 -12.733 1.00 0.00 O ATOM 0 H GLU A 49 -6.404 12.333 -10.718 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.845 10.138 -11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.975 12.123 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.907 10.948 -13.910 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.241 12.862 -11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.838 13.342 -13.636 1.00 0.00 H new ATOM 706 N LYS A 50 -4.576 9.912 -12.018 1.00 0.00 N ATOM 707 CA LYS A 50 -3.458 9.013 -12.288 1.00 0.00 C ATOM 708 C LYS A 50 -3.417 7.866 -11.281 1.00 0.00 C ATOM 709 O LYS A 50 -3.141 6.719 -11.639 1.00 0.00 O ATOM 710 CB LYS A 50 -2.131 9.774 -12.245 1.00 0.00 C ATOM 711 CG LYS A 50 -2.093 11.014 -13.127 1.00 0.00 C ATOM 712 CD LYS A 50 -0.667 11.509 -13.327 1.00 0.00 C ATOM 713 CE LYS A 50 0.060 11.691 -12.004 1.00 0.00 C ATOM 714 NZ LYS A 50 1.495 12.021 -12.204 1.00 0.00 N ATOM 0 H LYS A 50 -4.298 10.866 -11.789 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.605 8.599 -13.286 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.927 10.068 -11.215 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.329 9.101 -12.549 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.541 10.788 -14.095 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.694 11.803 -12.674 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.120 10.799 -13.947 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.684 12.456 -13.866 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.419 12.485 -11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.024 10.778 -11.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.061 11.582 -11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.809 11.659 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.621 13.053 -12.176 1.00 0.00 H new ATOM 728 N ALA A 51 -3.695 8.183 -10.024 1.00 0.00 N ATOM 729 CA ALA A 51 -3.681 7.186 -8.963 1.00 0.00 C ATOM 730 C ALA A 51 -4.833 6.197 -9.122 1.00 0.00 C ATOM 731 O ALA A 51 -4.740 5.046 -8.694 1.00 0.00 O ATOM 732 CB ALA A 51 -3.739 7.863 -7.602 1.00 0.00 C ATOM 0 H ALA A 51 -3.933 9.125 -9.714 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.749 6.626 -9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.728 7.106 -6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.876 8.519 -7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.654 8.450 -7.526 1.00 0.00 H new ATOM 738 N GLY A 52 -5.914 6.650 -9.752 1.00 0.00 N ATOM 739 CA GLY A 52 -7.056 5.786 -9.975 1.00 0.00 C ATOM 740 C GLY A 52 -8.242 6.161 -9.115 1.00 0.00 C ATOM 741 O GLY A 52 -9.279 5.498 -9.153 1.00 0.00 O ATOM 0 H GLY A 52 -6.017 7.599 -10.111 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.344 5.833 -11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.773 4.754 -9.768 1.00 0.00 H new ATOM 745 N LEU A 53 -8.080 7.222 -8.338 1.00 0.00 N ATOM 746 CA LEU A 53 -9.140 7.727 -7.484 1.00 0.00 C ATOM 747 C LEU A 53 -10.267 8.293 -8.343 1.00 0.00 C ATOM 748 O LEU A 53 -10.017 9.024 -9.305 1.00 0.00 O ATOM 749 CB LEU A 53 -8.565 8.793 -6.535 1.00 0.00 C ATOM 750 CG LEU A 53 -9.515 9.343 -5.466 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.726 9.757 -4.236 1.00 0.00 C ATOM 752 CD2 LEU A 53 -10.298 10.537 -5.998 1.00 0.00 C ATOM 0 H LEU A 53 -7.212 7.754 -8.283 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.552 6.918 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.696 8.369 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.209 9.629 -7.137 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.221 8.556 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.408 10.147 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.197 8.893 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.006 10.529 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.965 10.910 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.605 11.326 -6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.885 10.231 -6.864 1.00 0.00 H new ATOM 764 N LEU A 54 -11.498 7.930 -8.010 1.00 0.00 N ATOM 765 CA LEU A 54 -12.654 8.356 -8.780 1.00 0.00 C ATOM 766 C LEU A 54 -13.534 9.289 -7.958 1.00 0.00 C ATOM 767 O LEU A 54 -13.429 9.354 -6.730 1.00 0.00 O ATOM 768 CB LEU A 54 -13.460 7.139 -9.238 1.00 0.00 C ATOM 769 CG LEU A 54 -12.710 6.174 -10.158 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.558 4.943 -10.439 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.327 6.867 -11.459 1.00 0.00 C ATOM 0 H LEU A 54 -11.720 7.339 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.302 8.899 -9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.794 6.591 -8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.354 7.488 -9.754 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.796 5.857 -9.656 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.011 4.266 -11.095 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.785 4.436 -9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.487 5.244 -10.922 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.794 6.166 -12.102 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.228 7.212 -11.967 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.684 7.720 -11.241 1.00 0.00 H new ATOM 783 N ALA A 55 -14.400 10.016 -8.648 1.00 0.00 N ATOM 784 CA ALA A 55 -15.291 10.970 -8.009 1.00 0.00 C ATOM 785 C ALA A 55 -16.476 10.260 -7.365 1.00 0.00 C ATOM 786 O ALA A 55 -17.569 10.199 -7.935 1.00 0.00 O ATOM 787 CB ALA A 55 -15.770 12.001 -9.018 1.00 0.00 C ATOM 0 H ALA A 55 -14.504 9.961 -9.661 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.737 11.483 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.437 12.709 -8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.912 12.534 -9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.305 11.500 -9.825 1.00 0.00 H new ATOM 793 N GLY A 56 -16.246 9.704 -6.189 1.00 0.00 N ATOM 794 CA GLY A 56 -17.311 9.039 -5.463 1.00 0.00 C ATOM 795 C GLY A 56 -16.799 8.046 -4.442 1.00 0.00 C ATOM 796 O GLY A 56 -17.560 7.590 -3.592 1.00 0.00 O ATOM 0 H GLY A 56 -15.340 9.700 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.922 9.788 -4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.959 8.522 -6.171 1.00 0.00 H new ATOM 800 N ASP A 57 -15.514 7.714 -4.520 1.00 0.00 N ATOM 801 CA ASP A 57 -14.914 6.735 -3.619 1.00 0.00 C ATOM 802 C ASP A 57 -14.941 7.211 -2.177 1.00 0.00 C ATOM 803 O ASP A 57 -14.996 8.414 -1.901 1.00 0.00 O ATOM 804 CB ASP A 57 -13.463 6.451 -4.009 1.00 0.00 C ATOM 805 CG ASP A 57 -13.330 5.570 -5.233 1.00 0.00 C ATOM 806 OD1 ASP A 57 -13.440 6.095 -6.358 1.00 0.00 O ATOM 807 OD2 ASP A 57 -13.098 4.355 -5.071 1.00 0.00 O ATOM 0 H ASP A 57 -14.866 8.110 -5.201 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.507 5.825 -3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.953 7.396 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.956 5.974 -3.170 1.00 0.00 H new ATOM 812 N ARG A 58 -14.908 6.256 -1.261 1.00 0.00 N ATOM 813 CA ARG A 58 -14.792 6.559 0.151 1.00 0.00 C ATOM 814 C ARG A 58 -13.373 6.276 0.622 1.00 0.00 C ATOM 815 O ARG A 58 -12.766 5.281 0.219 1.00 0.00 O ATOM 816 CB ARG A 58 -15.786 5.741 0.979 1.00 0.00 C ATOM 817 CG ARG A 58 -15.554 4.241 0.925 1.00 0.00 C ATOM 818 CD ARG A 58 -16.215 3.543 2.100 1.00 0.00 C ATOM 819 NE ARG A 58 -15.687 4.029 3.375 1.00 0.00 N ATOM 820 CZ ARG A 58 -15.777 3.369 4.532 1.00 0.00 C ATOM 821 NH1 ARG A 58 -16.353 2.171 4.589 1.00 0.00 N ATOM 822 NH2 ARG A 58 -15.269 3.907 5.634 1.00 0.00 N ATOM 0 H ARG A 58 -14.960 5.260 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.023 7.615 0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.733 6.069 2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -16.796 5.954 0.629 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.950 3.842 -0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.484 4.035 0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.292 3.707 2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.054 2.468 2.024 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.218 4.935 3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.732 1.747 3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.415 1.677 5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.814 4.819 5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.334 3.409 6.522 1.00 0.00 H new ATOM 836 N LEU A 59 -12.847 7.147 1.465 1.00 0.00 N ATOM 837 CA LEU A 59 -11.501 6.980 1.988 1.00 0.00 C ATOM 838 C LEU A 59 -11.541 6.165 3.276 1.00 0.00 C ATOM 839 O LEU A 59 -12.342 6.438 4.171 1.00 0.00 O ATOM 840 CB LEU A 59 -10.847 8.345 2.235 1.00 0.00 C ATOM 841 CG LEU A 59 -9.387 8.295 2.686 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.528 7.609 1.638 1.00 0.00 C ATOM 843 CD2 LEU A 59 -8.873 9.694 2.954 1.00 0.00 C ATOM 0 H LEU A 59 -13.332 7.979 1.803 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.902 6.444 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.907 8.930 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.426 8.876 2.990 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.330 7.718 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.492 7.583 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.885 6.591 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.589 8.160 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.832 9.644 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.944 10.288 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.472 10.158 3.738 1.00 0.00 H new ATOM 855 N VAL A 60 -10.698 5.147 3.346 1.00 0.00 N ATOM 856 CA VAL A 60 -10.664 4.258 4.499 1.00 0.00 C ATOM 857 C VAL A 60 -9.521 4.631 5.443 1.00 0.00 C ATOM 858 O VAL A 60 -9.736 4.876 6.631 1.00 0.00 O ATOM 859 CB VAL A 60 -10.506 2.790 4.056 1.00 0.00 C ATOM 860 CG1 VAL A 60 -10.483 1.859 5.257 1.00 0.00 C ATOM 861 CG2 VAL A 60 -11.619 2.399 3.092 1.00 0.00 C ATOM 0 H VAL A 60 -10.025 4.914 2.615 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.611 4.370 5.027 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.552 2.693 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.371 0.829 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.646 2.121 5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.416 1.958 5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.491 1.359 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.585 2.518 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.579 3.040 2.211 1.00 0.00 H new ATOM 871 N GLU A 61 -8.311 4.686 4.909 1.00 0.00 N ATOM 872 CA GLU A 61 -7.146 5.032 5.708 1.00 0.00 C ATOM 873 C GLU A 61 -6.091 5.734 4.865 1.00 0.00 C ATOM 874 O GLU A 61 -6.120 5.671 3.633 1.00 0.00 O ATOM 875 CB GLU A 61 -6.563 3.790 6.388 1.00 0.00 C ATOM 876 CG GLU A 61 -6.288 2.623 5.460 1.00 0.00 C ATOM 877 CD GLU A 61 -5.703 1.442 6.206 1.00 0.00 C ATOM 878 OE1 GLU A 61 -6.466 0.753 6.917 1.00 0.00 O ATOM 879 OE2 GLU A 61 -4.484 1.211 6.098 1.00 0.00 O ATOM 0 H GLU A 61 -8.110 4.496 3.927 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.468 5.725 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.633 4.068 6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.253 3.462 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.214 2.322 4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.599 2.936 4.676 1.00 0.00 H new ATOM 886 N VAL A 62 -5.172 6.409 5.543 1.00 0.00 N ATOM 887 CA VAL A 62 -4.134 7.184 4.881 1.00 0.00 C ATOM 888 C VAL A 62 -2.756 6.657 5.257 1.00 0.00 C ATOM 889 O VAL A 62 -2.381 6.668 6.432 1.00 0.00 O ATOM 890 CB VAL A 62 -4.221 8.686 5.248 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.108 9.480 4.576 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.580 9.258 4.871 1.00 0.00 C ATOM 0 H VAL A 62 -5.126 6.434 6.562 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.289 7.080 3.807 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.097 8.771 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.194 10.531 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.141 9.097 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.192 9.380 3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.617 10.314 5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.735 9.150 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.362 8.720 5.407 1.00 0.00 H new ATOM 902 N ASN A 63 -2.023 6.185 4.249 1.00 0.00 N ATOM 903 CA ASN A 63 -0.657 5.675 4.411 1.00 0.00 C ATOM 904 C ASN A 63 -0.614 4.386 5.225 1.00 0.00 C ATOM 905 O ASN A 63 -0.332 3.316 4.679 1.00 0.00 O ATOM 906 CB ASN A 63 0.271 6.741 5.019 1.00 0.00 C ATOM 907 CG ASN A 63 0.698 7.786 4.002 1.00 0.00 C ATOM 908 OD1 ASN A 63 -0.021 8.075 3.048 1.00 0.00 O ATOM 909 ND2 ASN A 63 1.875 8.358 4.191 1.00 0.00 N ATOM 0 H ASN A 63 -2.361 6.144 3.288 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.291 5.437 3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.238 7.232 5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.156 6.256 5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.211 9.062 3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.447 8.095 4.994 1.00 0.00 H new ATOM 916 N GLY A 64 -0.890 4.474 6.511 1.00 0.00 N ATOM 917 CA GLY A 64 -0.834 3.295 7.344 1.00 0.00 C ATOM 918 C GLY A 64 -1.760 3.351 8.541 1.00 0.00 C ATOM 919 O GLY A 64 -1.769 2.428 9.356 1.00 0.00 O ATOM 0 H GLY A 64 -1.151 5.334 6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.086 2.423 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.189 3.156 7.693 1.00 0.00 H new ATOM 923 N GLU A 65 -2.530 4.424 8.673 1.00 0.00 N ATOM 924 CA GLU A 65 -3.442 4.550 9.797 1.00 0.00 C ATOM 925 C GLU A 65 -4.864 4.818 9.319 1.00 0.00 C ATOM 926 O GLU A 65 -5.083 5.603 8.390 1.00 0.00 O ATOM 927 CB GLU A 65 -2.966 5.644 10.755 1.00 0.00 C ATOM 928 CG GLU A 65 -2.972 7.051 10.179 1.00 0.00 C ATOM 929 CD GLU A 65 -2.446 8.066 11.173 1.00 0.00 C ATOM 930 OE1 GLU A 65 -3.026 8.186 12.270 1.00 0.00 O ATOM 931 OE2 GLU A 65 -1.430 8.727 10.873 1.00 0.00 O ATOM 0 H GLU A 65 -2.540 5.210 8.023 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.449 3.604 10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.598 5.629 11.643 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.953 5.405 11.081 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.363 7.077 9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.987 7.320 9.887 1.00 0.00 H new ATOM 938 N ASN A 66 -5.820 4.157 9.962 1.00 0.00 N ATOM 939 CA ASN A 66 -7.230 4.272 9.605 1.00 0.00 C ATOM 940 C ASN A 66 -7.757 5.660 9.946 1.00 0.00 C ATOM 941 O ASN A 66 -7.503 6.179 11.035 1.00 0.00 O ATOM 942 CB ASN A 66 -8.050 3.207 10.338 1.00 0.00 C ATOM 943 CG ASN A 66 -9.522 3.244 9.967 1.00 0.00 C ATOM 944 OD1 ASN A 66 -10.311 3.972 10.574 1.00 0.00 O ATOM 945 ND2 ASN A 66 -9.902 2.458 8.971 1.00 0.00 N ATOM 0 H ASN A 66 -5.640 3.527 10.744 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.326 4.117 8.530 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.646 2.221 10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.947 3.351 11.414 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.879 2.440 8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.217 1.871 8.495 1.00 0.00 H new ATOM 952 N VAL A 67 -8.493 6.259 9.018 1.00 0.00 N ATOM 953 CA VAL A 67 -8.998 7.613 9.209 1.00 0.00 C ATOM 954 C VAL A 67 -10.520 7.654 9.143 1.00 0.00 C ATOM 955 O VAL A 67 -11.112 8.728 9.058 1.00 0.00 O ATOM 956 CB VAL A 67 -8.419 8.591 8.160 1.00 0.00 C ATOM 957 CG1 VAL A 67 -6.904 8.666 8.277 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.830 8.185 6.751 1.00 0.00 C ATOM 0 H VAL A 67 -8.753 5.831 8.129 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.675 7.927 10.201 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.829 9.581 8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.515 9.359 7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.633 9.016 9.273 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.477 7.677 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.410 8.889 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.457 7.183 6.538 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.917 8.192 6.673 1.00 0.00 H new ATOM 968 N GLU A 68 -11.150 6.484 9.207 1.00 0.00 N ATOM 969 CA GLU A 68 -12.605 6.393 9.123 1.00 0.00 C ATOM 970 C GLU A 68 -13.276 7.156 10.259 1.00 0.00 C ATOM 971 O GLU A 68 -14.344 7.741 10.083 1.00 0.00 O ATOM 972 CB GLU A 68 -13.062 4.937 9.166 1.00 0.00 C ATOM 973 CG GLU A 68 -12.699 4.136 7.931 1.00 0.00 C ATOM 974 CD GLU A 68 -13.268 2.737 7.974 1.00 0.00 C ATOM 975 OE1 GLU A 68 -14.497 2.587 7.809 1.00 0.00 O ATOM 976 OE2 GLU A 68 -12.495 1.783 8.185 1.00 0.00 O ATOM 0 H GLU A 68 -10.677 5.587 9.317 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.899 6.840 8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.623 4.456 10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.144 4.911 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.069 4.650 7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.614 4.083 7.840 1.00 0.00 H new ATOM 983 N LYS A 69 -12.640 7.149 11.422 1.00 0.00 N ATOM 984 CA LYS A 69 -13.239 7.728 12.617 1.00 0.00 C ATOM 985 C LYS A 69 -12.684 9.129 12.887 1.00 0.00 C ATOM 986 O LYS A 69 -12.904 9.704 13.958 1.00 0.00 O ATOM 987 CB LYS A 69 -13.006 6.815 13.830 1.00 0.00 C ATOM 988 CG LYS A 69 -13.255 5.333 13.554 1.00 0.00 C ATOM 989 CD LYS A 69 -14.649 5.076 12.999 1.00 0.00 C ATOM 990 CE LYS A 69 -14.846 3.607 12.644 1.00 0.00 C ATOM 991 NZ LYS A 69 -15.026 2.758 13.853 1.00 0.00 N ATOM 0 H LYS A 69 -11.712 6.750 11.564 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.312 7.817 12.448 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.980 6.942 14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.657 7.136 14.643 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.511 4.967 12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.123 4.767 14.476 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.396 5.377 13.734 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.808 5.690 12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.717 3.505 11.997 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.985 3.253 12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.157 1.767 13.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.184 2.834 14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.863 3.078 14.381 1.00 0.00 H new ATOM 1005 N GLU A 70 -11.968 9.675 11.915 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.422 11.016 12.032 1.00 0.00 C ATOM 1007 C GLU A 70 -12.437 12.049 11.565 1.00 0.00 C ATOM 1008 O GLU A 70 -13.418 11.712 10.902 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.150 11.128 11.203 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.045 10.206 11.671 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.541 10.570 13.051 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -7.685 11.470 13.154 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -9.009 9.973 14.037 1.00 0.00 O ATOM 0 H GLU A 70 -11.752 9.207 11.035 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.189 11.208 13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.383 10.905 10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.793 12.157 11.236 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.410 9.179 11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.218 10.245 10.962 1.00 0.00 H new ATOM 1020 N THR A 71 -12.204 13.303 11.921 1.00 0.00 N ATOM 1021 CA THR A 71 -13.066 14.384 11.480 1.00 0.00 C ATOM 1022 C THR A 71 -12.752 14.736 10.033 1.00 0.00 C ATOM 1023 O THR A 71 -11.727 14.304 9.500 1.00 0.00 O ATOM 1024 CB THR A 71 -12.892 15.650 12.344 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.571 16.180 12.177 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.135 15.346 13.814 1.00 0.00 C ATOM 0 H THR A 71 -11.426 13.595 12.513 1.00 0.00 H new ATOM 0 HA THR A 71 -14.095 14.038 11.578 1.00 0.00 H new ATOM 0 HB THR A 71 -13.626 16.386 12.016 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.469 16.984 12.727 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.006 16.256 14.400 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.150 14.971 13.945 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.424 14.593 14.152 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.607 15.523 9.403 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.359 15.966 8.037 1.00 0.00 C ATOM 1036 C HIS A 72 -12.003 16.672 7.956 1.00 0.00 C ATOM 1037 O HIS A 72 -11.216 16.425 7.043 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.490 16.890 7.575 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.260 17.526 6.239 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.446 16.864 5.044 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -13.853 18.775 5.914 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -14.162 17.679 4.045 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.802 18.844 4.546 1.00 0.00 N ATOM 0 H HIS A 72 -14.476 15.868 9.811 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.333 15.101 7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.418 16.319 7.537 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.629 17.675 8.319 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.613 19.570 6.604 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -14.216 17.433 2.995 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.530 19.664 4.004 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.732 17.523 8.939 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.472 18.252 9.012 1.00 0.00 C ATOM 1054 C GLN A 73 -9.287 17.309 9.214 1.00 0.00 C ATOM 1055 O GLN A 73 -8.279 17.422 8.515 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.529 19.276 10.148 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.196 19.948 10.439 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.298 20.991 11.534 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -10.327 21.646 11.691 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -8.235 21.145 12.304 1.00 0.00 N ATOM 0 H GLN A 73 -12.376 17.726 9.704 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.327 18.768 8.063 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.264 20.041 9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.880 18.781 11.053 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.467 19.191 10.729 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.823 20.417 9.529 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.401 20.581 12.140 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.249 21.827 13.062 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.413 16.373 10.154 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.317 15.457 10.474 1.00 0.00 C ATOM 1071 C GLN A 74 -7.903 14.651 9.254 1.00 0.00 C ATOM 1072 O GLN A 74 -6.716 14.527 8.957 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.698 14.500 11.607 1.00 0.00 C ATOM 1074 CG GLN A 74 -8.792 15.157 12.972 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.537 15.919 13.340 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.588 15.355 13.887 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.537 17.212 13.069 1.00 0.00 N ATOM 0 H GLN A 74 -10.259 16.229 10.706 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.477 16.070 10.800 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.657 14.039 11.371 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.962 13.697 11.653 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.643 15.838 12.985 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.983 14.393 13.726 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.345 17.638 12.615 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.729 17.784 13.314 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.887 14.114 8.546 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.623 13.281 7.380 1.00 0.00 C ATOM 1088 C VAL A 75 -7.877 14.065 6.304 1.00 0.00 C ATOM 1089 O VAL A 75 -6.850 13.612 5.796 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.924 12.707 6.786 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.623 11.815 5.593 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.697 11.935 7.840 1.00 0.00 C ATOM 0 H VAL A 75 -9.877 14.240 8.759 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.000 12.453 7.717 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.539 13.541 6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.555 11.420 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.112 12.395 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.986 10.989 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.612 11.537 7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.085 11.113 8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.949 12.600 8.666 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.381 15.254 5.985 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.786 16.083 4.937 1.00 0.00 C ATOM 1104 C VAL A 76 -6.354 16.472 5.300 1.00 0.00 C ATOM 1105 O VAL A 76 -5.459 16.466 4.450 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.621 17.362 4.688 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.951 18.267 3.662 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.027 17.003 4.230 1.00 0.00 C ATOM 0 H VAL A 76 -9.198 15.666 6.435 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.776 15.490 4.022 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.685 17.905 5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.561 19.157 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.966 18.561 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.846 17.732 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.598 17.916 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.973 16.431 3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.518 16.405 4.998 1.00 0.00 H new ATOM 1118 N SER A 77 -6.140 16.781 6.571 1.00 0.00 N ATOM 1119 CA SER A 77 -4.832 17.201 7.052 1.00 0.00 C ATOM 1120 C SER A 77 -3.791 16.091 6.892 1.00 0.00 C ATOM 1121 O SER A 77 -2.648 16.353 6.520 1.00 0.00 O ATOM 1122 CB SER A 77 -4.936 17.642 8.512 1.00 0.00 C ATOM 1123 OG SER A 77 -5.913 18.661 8.656 1.00 0.00 O ATOM 0 H SER A 77 -6.861 16.748 7.292 1.00 0.00 H new ATOM 0 HA SER A 77 -4.499 18.045 6.447 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.197 16.789 9.138 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.969 18.006 8.858 1.00 0.00 H new ATOM 0 HG SER A 77 -6.808 18.263 8.626 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.196 14.850 7.146 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.280 13.720 7.033 1.00 0.00 C ATOM 1131 C ARG A 78 -2.878 13.497 5.579 1.00 0.00 C ATOM 1132 O ARG A 78 -1.734 13.151 5.287 1.00 0.00 O ATOM 1133 CB ARG A 78 -3.904 12.445 7.605 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.308 12.564 9.064 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.590 11.202 9.675 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.175 11.303 11.011 1.00 0.00 N ATOM 1137 CZ ARG A 78 -4.471 11.293 12.143 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -3.143 11.295 12.115 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.105 11.314 13.306 1.00 0.00 N ATOM 0 H ARG A 78 -5.144 14.603 7.429 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.388 13.957 7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.782 12.184 7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.194 11.625 7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.514 13.058 9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.195 13.192 9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.268 10.648 9.025 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.663 10.632 9.729 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.189 11.387 11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.652 11.304 11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.614 11.287 12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.124 11.338 13.331 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.574 11.307 14.177 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.824 13.698 4.672 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.557 13.558 3.248 1.00 0.00 C ATOM 1155 C ILE A 79 -2.571 14.629 2.784 1.00 0.00 C ATOM 1156 O ILE A 79 -1.599 14.336 2.088 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.853 13.671 2.415 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.901 12.670 2.906 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.554 13.437 0.940 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.250 12.827 2.234 1.00 0.00 C ATOM 0 H ILE A 79 -4.784 13.959 4.898 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.128 12.568 3.094 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.253 14.677 2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.534 11.658 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.025 12.785 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.476 13.519 0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.840 14.183 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.132 12.441 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.943 12.085 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.639 13.827 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.140 12.682 1.159 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.824 15.868 3.193 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.982 16.997 2.804 1.00 0.00 C ATOM 1174 C ARG A 80 -0.586 16.899 3.413 1.00 0.00 C ATOM 1175 O ARG A 80 0.373 17.452 2.872 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.625 18.318 3.213 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.787 18.735 2.332 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.303 20.103 2.729 1.00 0.00 C ATOM 1179 NE ARG A 80 -5.371 20.572 1.853 1.00 0.00 N ATOM 1180 CZ ARG A 80 -6.211 21.553 2.177 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -6.101 22.162 3.356 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -7.155 21.930 1.322 1.00 0.00 N ATOM 0 H ARG A 80 -3.608 16.118 3.796 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.885 16.963 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.973 18.238 4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.867 19.101 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.471 18.750 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.590 18.002 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.669 20.066 3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.481 20.818 2.709 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.480 20.124 0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.373 21.877 4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.745 22.913 3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.237 21.468 0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.798 22.682 1.571 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.482 16.195 4.534 1.00 0.00 N ATOM 1197 CA ALA A 81 0.780 16.060 5.262 1.00 0.00 C ATOM 1198 C ALA A 81 1.847 15.329 4.443 1.00 0.00 C ATOM 1199 O ALA A 81 3.020 15.308 4.815 1.00 0.00 O ATOM 1200 CB ALA A 81 0.544 15.337 6.576 1.00 0.00 C ATOM 0 H ALA A 81 -1.265 15.703 4.965 1.00 0.00 H new ATOM 0 HA ALA A 81 1.154 17.065 5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.488 15.240 7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.161 15.905 7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.136 14.346 6.378 1.00 0.00 H new ATOM 1206 N ALA A 82 1.437 14.720 3.338 1.00 0.00 N ATOM 1207 CA ALA A 82 2.378 14.060 2.449 1.00 0.00 C ATOM 1208 C ALA A 82 3.188 15.091 1.674 1.00 0.00 C ATOM 1209 O ALA A 82 2.631 15.988 1.034 1.00 0.00 O ATOM 1210 CB ALA A 82 1.656 13.126 1.499 1.00 0.00 C ATOM 0 H ALA A 82 0.463 14.670 3.039 1.00 0.00 H new ATOM 0 HA ALA A 82 3.062 13.465 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.380 12.643 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.122 12.367 2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.946 13.695 0.899 1.00 0.00 H new ATOM 1216 N LEU A 83 4.505 14.960 1.736 1.00 0.00 N ATOM 1217 CA LEU A 83 5.399 15.927 1.115 1.00 0.00 C ATOM 1218 C LEU A 83 5.551 15.669 -0.376 1.00 0.00 C ATOM 1219 O LEU A 83 5.887 16.575 -1.136 1.00 0.00 O ATOM 1220 CB LEU A 83 6.765 15.906 1.805 1.00 0.00 C ATOM 1221 CG LEU A 83 6.757 16.409 3.250 1.00 0.00 C ATOM 1222 CD1 LEU A 83 8.135 16.276 3.876 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.289 17.858 3.304 1.00 0.00 C ATOM 0 H LEU A 83 4.979 14.192 2.211 1.00 0.00 H new ATOM 0 HA LEU A 83 4.957 16.916 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.148 14.886 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.459 16.515 1.226 1.00 0.00 H new ATOM 0 HG LEU A 83 6.061 15.794 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.105 16.640 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.437 15.229 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.853 16.864 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.289 18.202 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.963 18.480 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.280 17.930 2.897 1.00 0.00 H new ATOM 1235 N ASN A 84 5.306 14.436 -0.796 1.00 0.00 N ATOM 1236 CA ASN A 84 5.361 14.103 -2.213 1.00 0.00 C ATOM 1237 C ASN A 84 4.330 13.049 -2.573 1.00 0.00 C ATOM 1238 O ASN A 84 3.587 13.213 -3.530 1.00 0.00 O ATOM 1239 CB ASN A 84 6.751 13.611 -2.616 1.00 0.00 C ATOM 1240 CG ASN A 84 6.895 13.461 -4.119 1.00 0.00 C ATOM 1241 OD1 ASN A 84 6.628 12.399 -4.683 1.00 0.00 O ATOM 1242 ND2 ASN A 84 7.329 14.526 -4.779 1.00 0.00 N ATOM 0 H ASN A 84 5.069 13.656 -0.183 1.00 0.00 H new ATOM 0 HA ASN A 84 5.138 15.018 -2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.502 14.311 -2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.948 12.652 -2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.453 14.484 -5.791 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.539 15.388 -4.275 1.00 0.00 H new ATOM 1249 N ALA A 85 4.279 11.971 -1.802 1.00 0.00 N ATOM 1250 CA ALA A 85 3.400 10.859 -2.124 1.00 0.00 C ATOM 1251 C ALA A 85 2.588 10.423 -0.912 1.00 0.00 C ATOM 1252 O ALA A 85 3.115 10.288 0.194 1.00 0.00 O ATOM 1253 CB ALA A 85 4.211 9.696 -2.676 1.00 0.00 C ATOM 0 H ALA A 85 4.833 11.845 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 85 2.696 11.192 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.544 8.868 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.733 10.013 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.938 9.373 -1.931 1.00 0.00 H new ATOM 1259 N VAL A 86 1.302 10.205 -1.130 1.00 0.00 N ATOM 1260 CA VAL A 86 0.400 9.782 -0.072 1.00 0.00 C ATOM 1261 C VAL A 86 -0.379 8.552 -0.525 1.00 0.00 C ATOM 1262 O VAL A 86 -0.736 8.436 -1.696 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.583 10.916 0.315 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.484 11.288 -0.854 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.411 10.529 1.529 1.00 0.00 C ATOM 0 H VAL A 86 0.856 10.316 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 86 0.995 9.537 0.808 1.00 0.00 H new ATOM 0 HB VAL A 86 0.011 11.793 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.162 12.086 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.873 11.629 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.063 10.416 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.092 11.342 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.986 9.630 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.750 10.337 2.374 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.621 7.628 0.388 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.365 6.427 0.056 1.00 0.00 C ATOM 1277 C ARG A 87 -2.798 6.571 0.528 1.00 0.00 C ATOM 1278 O ARG A 87 -3.069 6.570 1.729 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.744 5.173 0.691 1.00 0.00 C ATOM 1280 CG ARG A 87 0.691 4.882 0.269 1.00 0.00 C ATOM 1281 CD ARG A 87 1.684 5.827 0.929 1.00 0.00 C ATOM 1282 NE ARG A 87 3.065 5.510 0.576 1.00 0.00 N ATOM 1283 CZ ARG A 87 4.105 6.290 0.857 1.00 0.00 C ATOM 1284 NH1 ARG A 87 3.924 7.454 1.466 1.00 0.00 N ATOM 1285 NH2 ARG A 87 5.328 5.904 0.524 1.00 0.00 N ATOM 0 H ARG A 87 -0.315 7.686 1.359 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.332 6.306 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.773 5.280 1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.363 4.312 0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.943 3.854 0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.774 4.968 -0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.461 6.852 0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.567 5.777 2.011 1.00 0.00 H new ATOM 0 HE ARG A 87 3.243 4.635 0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.984 7.755 1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.725 8.048 1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.470 5.010 0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.127 6.500 0.738 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.708 6.708 -0.411 1.00 0.00 N ATOM 1300 CA LEU A 88 -5.111 6.820 -0.082 1.00 0.00 C ATOM 1301 C LEU A 88 -5.817 5.529 -0.434 1.00 0.00 C ATOM 1302 O LEU A 88 -5.886 5.149 -1.607 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.764 7.989 -0.827 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.151 9.365 -0.552 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.982 10.457 -1.204 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -5.029 9.609 0.946 1.00 0.00 C ATOM 0 H LEU A 88 -3.501 6.745 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.199 7.010 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.708 7.792 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.821 8.021 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.151 9.388 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.532 11.428 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.017 10.294 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.994 10.434 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.591 10.592 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.017 9.566 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.391 8.844 1.388 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.310 4.835 0.575 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.061 3.622 0.337 1.00 0.00 C ATOM 1320 C LEU A 89 -8.521 3.964 0.127 1.00 0.00 C ATOM 1321 O LEU A 89 -9.179 4.509 1.018 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.919 2.647 1.497 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.494 1.266 1.213 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.680 0.567 0.139 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.547 0.436 2.476 1.00 0.00 C ATOM 0 H LEU A 89 -6.204 5.089 1.557 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.662 3.141 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.863 2.546 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.416 3.064 2.373 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.514 1.385 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.103 -0.419 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.703 1.157 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.649 0.460 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.961 -0.546 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.541 0.321 2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.178 0.934 3.212 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.027 3.634 -1.046 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.363 4.052 -1.442 1.00 0.00 C ATOM 1339 C VAL A 90 -11.131 2.905 -2.079 1.00 0.00 C ATOM 1340 O VAL A 90 -10.539 1.982 -2.648 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.320 5.246 -2.430 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.776 6.496 -1.753 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.493 4.904 -3.666 1.00 0.00 C ATOM 0 H VAL A 90 -8.534 3.077 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.874 4.367 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.342 5.449 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.757 7.318 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.416 6.762 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.765 6.304 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.479 5.759 -4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.473 4.662 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.935 4.047 -4.174 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.444 2.953 -1.940 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.325 1.978 -2.555 1.00 0.00 C ATOM 1355 C VAL A 91 -14.684 2.617 -2.844 1.00 0.00 C ATOM 1356 O VAL A 91 -15.116 3.519 -2.118 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.485 0.727 -1.653 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.173 1.071 -0.341 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.230 -0.384 -2.378 1.00 0.00 C ATOM 0 H VAL A 91 -12.928 3.668 -1.398 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.882 1.652 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.484 0.365 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.269 0.171 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.581 1.811 0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.163 1.478 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.326 -1.247 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.222 -0.032 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.676 -0.670 -3.272 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.344 2.175 -3.911 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.697 2.626 -4.215 1.00 0.00 C ATOM 1371 C ASP A 92 -17.627 2.247 -3.078 1.00 0.00 C ATOM 1372 O ASP A 92 -17.699 1.081 -2.697 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.216 1.988 -5.506 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.520 2.487 -6.752 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -16.994 3.479 -7.345 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -15.522 1.859 -7.168 1.00 0.00 O ATOM 0 H ASP A 92 -14.963 1.505 -4.579 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.670 3.708 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.095 0.907 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.285 2.184 -5.594 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.363 3.227 -2.526 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.295 3.003 -1.414 1.00 0.00 C ATOM 1383 C PRO A 93 -20.349 1.952 -1.751 1.00 0.00 C ATOM 1384 O PRO A 93 -20.910 1.310 -0.862 1.00 0.00 O ATOM 1385 CB PRO A 93 -19.947 4.374 -1.204 1.00 0.00 C ATOM 1386 CG PRO A 93 -18.985 5.347 -1.788 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.342 4.639 -2.944 1.00 0.00 C ATOM 0 HA PRO A 93 -18.787 2.625 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -20.916 4.431 -1.699 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.117 4.573 -0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.495 6.252 -2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.241 5.651 -1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -18.896 4.793 -3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.326 4.993 -3.118 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.608 1.779 -3.041 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.541 0.765 -3.510 1.00 0.00 C ATOM 1397 C GLU A 94 -20.945 -0.627 -3.312 1.00 0.00 C ATOM 1398 O GLU A 94 -21.607 -1.536 -2.809 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.867 0.999 -4.984 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.453 2.375 -5.253 1.00 0.00 C ATOM 1401 CD GLU A 94 -22.720 2.621 -6.721 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -23.761 2.153 -7.224 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -21.896 3.289 -7.376 1.00 0.00 O ATOM 0 H GLU A 94 -20.182 2.332 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.463 0.835 -2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.959 0.875 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.572 0.238 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.383 2.484 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -21.767 3.136 -4.880 1.00 0.00 H new ATOM 1410 N THR A 95 -19.682 -0.774 -3.694 1.00 0.00 N ATOM 1411 CA THR A 95 -18.960 -2.024 -3.508 1.00 0.00 C ATOM 1412 C THR A 95 -18.674 -2.246 -2.023 1.00 0.00 C ATOM 1413 O THR A 95 -18.775 -3.362 -1.511 1.00 0.00 O ATOM 1414 CB THR A 95 -17.631 -2.000 -4.289 1.00 0.00 C ATOM 1415 OG1 THR A 95 -17.867 -1.559 -5.634 1.00 0.00 O ATOM 1416 CG2 THR A 95 -16.980 -3.377 -4.304 1.00 0.00 C ATOM 0 H THR A 95 -19.135 -0.036 -4.137 1.00 0.00 H new ATOM 0 HA THR A 95 -19.578 -2.839 -3.885 1.00 0.00 H new ATOM 0 HB THR A 95 -16.953 -1.307 -3.790 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.020 -1.543 -6.127 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.044 -3.331 -4.861 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.778 -3.695 -3.281 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.651 -4.092 -4.780 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.364 -1.148 -1.344 1.00 0.00 N ATOM 1425 CA ASP A 96 -18.033 -1.149 0.080 1.00 0.00 C ATOM 1426 C ASP A 96 -19.169 -1.726 0.914 1.00 0.00 C ATOM 1427 O ASP A 96 -18.938 -2.486 1.854 1.00 0.00 O ATOM 1428 CB ASP A 96 -17.719 0.284 0.519 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.677 0.460 2.021 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.622 0.190 2.627 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -18.691 0.905 2.596 1.00 0.00 O ATOM 0 H ASP A 96 -18.334 -0.221 -1.769 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.161 -1.783 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.758 0.582 0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.470 0.956 0.103 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.392 -1.388 0.531 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.581 -1.855 1.228 1.00 0.00 C ATOM 1438 C GLU A 97 -21.644 -3.382 1.255 1.00 0.00 C ATOM 1439 O GLU A 97 -21.975 -3.983 2.275 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.822 -1.291 0.541 1.00 0.00 C ATOM 1441 CG GLU A 97 -24.137 -1.753 1.143 1.00 0.00 C ATOM 1442 CD GLU A 97 -25.328 -1.228 0.374 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.688 -1.832 -0.658 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.901 -0.197 0.791 1.00 0.00 O ATOM 0 H GLU A 97 -20.587 -0.785 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.539 -1.506 2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.781 -0.202 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.799 -1.573 -0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -24.166 -2.843 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -24.199 -1.419 2.179 1.00 0.00 H new ATOM 1451 N GLN A 98 -21.354 -3.998 0.120 1.00 0.00 N ATOM 1452 CA GLN A 98 -21.366 -5.446 0.008 1.00 0.00 C ATOM 1453 C GLN A 98 -20.150 -6.084 0.693 1.00 0.00 C ATOM 1454 O GLN A 98 -20.286 -7.044 1.454 1.00 0.00 O ATOM 1455 CB GLN A 98 -21.429 -5.836 -1.466 1.00 0.00 C ATOM 1456 CG GLN A 98 -21.738 -7.301 -1.702 1.00 0.00 C ATOM 1457 CD GLN A 98 -22.150 -7.565 -3.134 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -23.332 -7.519 -3.472 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -21.177 -7.820 -3.988 1.00 0.00 N ATOM 0 H GLN A 98 -21.106 -3.513 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 98 -22.249 -5.825 0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -22.189 -5.231 -1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -20.475 -5.596 -1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -20.861 -7.901 -1.460 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -22.536 -7.617 -1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -20.210 -7.849 -3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -21.392 -7.988 -4.971 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.966 -5.529 0.437 1.00 0.00 N ATOM 1469 CA LEU A 99 -17.711 -6.156 0.856 1.00 0.00 C ATOM 1470 C LEU A 99 -17.533 -6.199 2.366 1.00 0.00 C ATOM 1471 O LEU A 99 -16.891 -7.107 2.890 1.00 0.00 O ATOM 1472 CB LEU A 99 -16.512 -5.496 0.175 1.00 0.00 C ATOM 1473 CG LEU A 99 -16.336 -3.992 0.350 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -15.749 -3.675 1.713 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.448 -3.448 -0.756 1.00 0.00 C ATOM 0 H LEU A 99 -18.849 -4.645 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 99 -17.766 -7.195 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -15.608 -5.984 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.577 -5.704 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 99 -17.313 -3.513 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.632 -2.596 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -16.417 -4.044 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -14.776 -4.157 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.324 -2.373 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.473 -3.933 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -15.909 -3.647 -1.724 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.073 -5.214 3.052 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.013 -5.184 4.519 1.00 0.00 C ATOM 1489 C GLN A 100 -18.627 -6.444 5.136 1.00 0.00 C ATOM 1490 O GLN A 100 -18.162 -6.916 6.173 1.00 0.00 O ATOM 1491 CB GLN A 100 -18.691 -3.938 5.093 1.00 0.00 C ATOM 1492 CG GLN A 100 -20.018 -3.602 4.444 1.00 0.00 C ATOM 1493 CD GLN A 100 -20.833 -2.603 5.238 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -22.137 -2.609 5.022 1.00 0.00 O flip ATOM 1495 NE2 GLN A 100 -20.296 -1.815 6.014 1.00 0.00 N flip ATOM 0 H GLN A 100 -18.559 -4.422 2.631 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.956 -5.149 4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -18.848 -4.083 6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -18.018 -3.087 4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -19.837 -3.202 3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -20.597 -4.517 4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.286 -1.844 6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.861 -1.133 6.520 1.00 0.00 H new ATOM 1504 N LYS A 101 -19.671 -6.984 4.507 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.280 -8.230 4.966 1.00 0.00 C ATOM 1506 C LYS A 101 -19.314 -9.397 4.798 1.00 0.00 C ATOM 1507 O LYS A 101 -19.407 -10.405 5.497 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.573 -8.531 4.200 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.785 -7.752 4.683 1.00 0.00 C ATOM 1510 CD LYS A 101 -22.691 -6.272 4.362 1.00 0.00 C ATOM 1511 CE LYS A 101 -23.922 -5.520 4.842 1.00 0.00 C ATOM 1512 NZ LYS A 101 -24.108 -5.646 6.313 1.00 0.00 N ATOM 0 H LYS A 101 -20.111 -6.579 3.681 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.517 -8.105 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -21.414 -8.314 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.787 -9.597 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -23.684 -8.164 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.890 -7.881 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -21.801 -5.852 4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.578 -6.138 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -23.831 -4.467 4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -24.805 -5.903 4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -24.802 -4.942 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -24.453 -6.601 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -23.200 -5.483 6.793 1.00 0.00 H new ATOM 1526 N LEU A 102 -18.393 -9.255 3.859 1.00 0.00 N ATOM 1527 CA LEU A 102 -17.409 -10.289 3.581 1.00 0.00 C ATOM 1528 C LEU A 102 -16.234 -10.135 4.529 1.00 0.00 C ATOM 1529 O LEU A 102 -15.910 -11.066 5.265 1.00 0.00 O ATOM 1530 CB LEU A 102 -16.957 -10.195 2.118 1.00 0.00 C ATOM 1531 CG LEU A 102 -18.098 -9.997 1.107 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -17.575 -10.027 -0.320 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -19.180 -11.049 1.294 1.00 0.00 C ATOM 0 H LEU A 102 -18.306 -8.426 3.271 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.851 -11.273 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -16.255 -9.367 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -16.414 -11.104 1.860 1.00 0.00 H new ATOM 0 HG LEU A 102 -18.536 -9.016 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -18.403 -9.885 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -16.845 -9.229 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -17.101 -10.989 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -19.975 -10.886 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -18.752 -12.041 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -19.589 -10.975 2.302 1.00 0.00 H new ATOM 1545 N GLY A 103 -15.622 -8.953 4.514 1.00 0.00 N ATOM 1546 CA GLY A 103 -14.591 -8.604 5.482 1.00 0.00 C ATOM 1547 C GLY A 103 -13.538 -9.680 5.687 1.00 0.00 C ATOM 1548 O GLY A 103 -13.106 -9.921 6.816 1.00 0.00 O ATOM 0 H GLY A 103 -15.826 -8.218 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.099 -7.687 5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.065 -8.389 6.439 1.00 0.00 H new ATOM 1552 N VAL A 104 -13.131 -10.332 4.606 1.00 0.00 N ATOM 1553 CA VAL A 104 -12.095 -11.364 4.683 1.00 0.00 C ATOM 1554 C VAL A 104 -10.691 -10.742 4.785 1.00 0.00 C ATOM 1555 O VAL A 104 -9.800 -11.041 3.990 1.00 0.00 O ATOM 1556 CB VAL A 104 -12.160 -12.325 3.473 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -11.315 -13.566 3.721 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -13.600 -12.710 3.167 1.00 0.00 C ATOM 0 H VAL A 104 -13.498 -10.169 3.668 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.287 -11.939 5.589 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.753 -11.804 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.376 -14.227 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.277 -13.274 3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.685 -14.088 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.622 -13.386 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.036 -13.206 4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.175 -11.813 2.935 1.00 0.00 H new ATOM 1568 N GLN A 105 -10.533 -9.855 5.769 1.00 0.00 N ATOM 1569 CA GLN A 105 -9.241 -9.249 6.126 1.00 0.00 C ATOM 1570 C GLN A 105 -8.503 -8.682 4.905 1.00 0.00 C ATOM 1571 O GLN A 105 -7.277 -8.742 4.818 1.00 0.00 O ATOM 1572 CB GLN A 105 -8.367 -10.286 6.837 1.00 0.00 C ATOM 1573 CG GLN A 105 -9.103 -11.030 7.942 1.00 0.00 C ATOM 1574 CD GLN A 105 -9.621 -10.111 9.034 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -9.002 -9.097 9.361 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -10.772 -10.447 9.592 1.00 0.00 N ATOM 0 H GLN A 105 -11.306 -9.531 6.350 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.443 -8.411 6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.999 -11.005 6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.495 -9.788 7.261 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.940 -11.578 7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.434 -11.768 8.384 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.255 -11.295 9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.177 -9.858 10.320 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.262 -8.114 3.980 1.00 0.00 N ATOM 1586 CA VAL A 106 -8.719 -7.630 2.712 1.00 0.00 C ATOM 1587 C VAL A 106 -8.089 -6.232 2.845 1.00 0.00 C ATOM 1588 O VAL A 106 -7.524 -5.704 1.886 1.00 0.00 O ATOM 1589 CB VAL A 106 -9.833 -7.605 1.640 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -10.851 -6.514 1.940 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -9.251 -7.449 0.242 1.00 0.00 C ATOM 0 H VAL A 106 -10.267 -7.974 4.083 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.928 -8.317 2.410 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.351 -8.564 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.624 -6.517 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.306 -6.698 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.353 -5.544 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.059 -7.435 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.692 -6.515 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.585 -8.285 0.030 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.151 -5.655 4.044 1.00 0.00 N ATOM 1602 CA ARG A 107 -7.778 -4.252 4.238 1.00 0.00 C ATOM 1603 C ARG A 107 -6.304 -3.997 3.915 1.00 0.00 C ATOM 1604 O ARG A 107 -5.980 -3.062 3.186 1.00 0.00 O ATOM 1605 CB ARG A 107 -8.062 -3.822 5.679 1.00 0.00 C ATOM 1606 CG ARG A 107 -7.637 -2.391 5.973 1.00 0.00 C ATOM 1607 CD ARG A 107 -7.688 -2.077 7.459 1.00 0.00 C ATOM 1608 NE ARG A 107 -9.049 -2.085 7.992 1.00 0.00 N ATOM 1609 CZ ARG A 107 -9.401 -1.460 9.114 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -8.499 -0.756 9.791 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -10.654 -1.527 9.552 1.00 0.00 N ATOM 0 H ARG A 107 -8.454 -6.133 4.893 1.00 0.00 H new ATOM 0 HA ARG A 107 -8.382 -3.663 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -9.129 -3.926 5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -7.543 -4.496 6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.625 -2.230 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.287 -1.702 5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.086 -2.806 8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.239 -1.099 7.635 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.767 -2.596 7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.539 -0.695 9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.767 -0.277 10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.350 -2.058 9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.920 -1.047 10.412 1.00 0.00 H new ATOM 1625 N GLU A 108 -5.416 -4.834 4.435 1.00 0.00 N ATOM 1626 CA GLU A 108 -3.988 -4.651 4.205 1.00 0.00 C ATOM 1627 C GLU A 108 -3.313 -5.955 3.811 1.00 0.00 C ATOM 1628 O GLU A 108 -2.373 -5.945 3.026 1.00 0.00 O ATOM 1629 CB GLU A 108 -3.298 -4.087 5.448 1.00 0.00 C ATOM 1630 CG GLU A 108 -3.701 -2.664 5.796 1.00 0.00 C ATOM 1631 CD GLU A 108 -3.043 -2.185 7.070 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -3.618 -2.411 8.157 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -1.936 -1.605 7.002 1.00 0.00 O ATOM 0 H GLU A 108 -5.655 -5.639 5.014 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.891 -3.941 3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.520 -4.733 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.219 -4.120 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.430 -1.999 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.784 -2.610 5.905 1.00 0.00 H new ATOM 1640 N GLU A 109 -3.792 -7.070 4.353 1.00 0.00 N ATOM 1641 CA GLU A 109 -3.171 -8.369 4.104 1.00 0.00 C ATOM 1642 C GLU A 109 -3.086 -8.656 2.608 1.00 0.00 C ATOM 1643 O GLU A 109 -2.029 -9.029 2.102 1.00 0.00 O ATOM 1644 CB GLU A 109 -3.949 -9.482 4.812 1.00 0.00 C ATOM 1645 CG GLU A 109 -3.375 -10.871 4.576 1.00 0.00 C ATOM 1646 CD GLU A 109 -4.095 -11.941 5.367 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -3.792 -12.096 6.567 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -4.961 -12.633 4.795 1.00 0.00 O ATOM 0 H GLU A 109 -4.606 -7.102 4.966 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.158 -8.339 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.962 -9.280 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -4.984 -9.463 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.434 -11.108 3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.319 -10.874 4.846 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.190 -8.445 1.909 1.00 0.00 N ATOM 1656 CA LEU A 110 -4.250 -8.689 0.474 1.00 0.00 C ATOM 1657 C LEU A 110 -3.348 -7.702 -0.273 1.00 0.00 C ATOM 1658 O LEU A 110 -2.611 -8.088 -1.180 1.00 0.00 O ATOM 1659 CB LEU A 110 -5.710 -8.599 -0.006 1.00 0.00 C ATOM 1660 CG LEU A 110 -5.970 -8.928 -1.486 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -5.710 -7.717 -2.368 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -5.112 -10.106 -1.936 1.00 0.00 C ATOM 0 H LEU A 110 -5.062 -8.103 2.314 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.883 -9.693 0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.311 -9.274 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.070 -7.589 0.187 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.019 -9.205 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.901 -7.977 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.370 -6.902 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.672 -7.403 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.312 -10.322 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.058 -9.857 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.352 -10.982 -1.334 1.00 0.00 H new ATOM 1850 N THR B 3 -13.846 20.454 1.140 1.00 0.00 N ATOM 1851 CA THR B 3 -12.445 20.845 1.064 1.00 0.00 C ATOM 1852 C THR B 3 -11.737 20.152 -0.099 1.00 0.00 C ATOM 1853 O THR B 3 -11.752 18.922 -0.208 1.00 0.00 O ATOM 1854 CB THR B 3 -11.709 20.495 2.372 1.00 0.00 C ATOM 1855 OG1 THR B 3 -12.481 20.932 3.500 1.00 0.00 O ATOM 1856 CG2 THR B 3 -10.332 21.144 2.420 1.00 0.00 C ATOM 0 HA THR B 3 -12.421 21.923 0.905 1.00 0.00 H new ATOM 0 HB THR B 3 -11.583 19.413 2.407 1.00 0.00 H new ATOM 0 HG1 THR B 3 -13.341 21.287 3.191 1.00 0.00 H new ATOM 0 HG21 THR B 3 -9.837 20.879 3.354 1.00 0.00 H new ATOM 0 HG22 THR B 3 -9.734 20.791 1.580 1.00 0.00 H new ATOM 0 HG23 THR B 3 -10.438 22.227 2.360 1.00 0.00 H new ATOM 1864 N ARG B 4 -11.119 20.937 -0.971 1.00 0.00 N ATOM 1865 CA ARG B 4 -10.342 20.382 -2.067 1.00 0.00 C ATOM 1866 C ARG B 4 -8.925 20.070 -1.603 1.00 0.00 C ATOM 1867 O ARG B 4 -8.251 20.920 -1.017 1.00 0.00 O ATOM 1868 CB ARG B 4 -10.302 21.348 -3.254 1.00 0.00 C ATOM 1869 CG ARG B 4 -9.883 20.688 -4.562 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.708 21.401 -5.209 1.00 0.00 C ATOM 1871 NE ARG B 4 -7.483 21.249 -4.428 1.00 0.00 N ATOM 1872 CZ ARG B 4 -6.591 22.218 -4.239 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -6.751 23.402 -4.821 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -5.533 21.993 -3.475 1.00 0.00 N ATOM 0 H ARG B 4 -11.141 21.956 -0.940 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.824 19.459 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -11.288 21.795 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.611 22.160 -3.028 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -9.617 19.648 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -10.727 20.682 -5.251 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -8.551 21.005 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -8.941 22.460 -5.317 1.00 0.00 H new ATOM 0 HE ARG B 4 -7.300 20.342 -4.000 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -7.561 23.572 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -6.063 24.141 -4.672 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -5.406 21.081 -3.036 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -4.845 22.731 -3.326 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.486 18.855 -1.878 1.00 0.00 N ATOM 1889 CA LEU B 5 -7.152 18.408 -1.523 1.00 0.00 C ATOM 1890 C LEU B 5 -6.140 18.989 -2.489 1.00 0.00 C ATOM 1891 O LEU B 5 -5.285 19.773 -2.052 1.00 0.00 O ATOM 1892 CB LEU B 5 -7.079 16.877 -1.540 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.480 16.177 -0.237 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.573 16.615 0.901 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -8.939 16.450 0.104 1.00 0.00 C ATOM 1896 OXT LEU B 5 -6.248 18.703 -3.700 1.00 0.00 O ATOM 0 H LEU B 5 -9.046 18.149 -2.355 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.922 18.754 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.722 16.510 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.059 16.583 -1.790 1.00 0.00 H new ATOM 0 HG LEU B 5 -7.364 15.103 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.871 16.109 1.819 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.541 16.358 0.663 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.656 17.693 1.038 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -9.197 15.941 1.033 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -9.090 17.523 0.224 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.576 16.081 -0.700 1.00 0.00 H new