USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 867 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 106 THR OG1 : rot 141:sc= 1.22 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -1.84! C(o=-0.61!,f=-4.8!) USER MOD Set 2.1: A 80 SER OG : rot 94:sc= 1.06 USER MOD Set 2.2: A 83 GLN : amide:sc= -0.104 K(o=0.95,f=-0.5) USER MOD Set 3.1: A 48 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.5) USER MOD Set 3.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 18 HIS : no HD1:sc= -0.0835 X(o=-0.79,f=-0.85) USER MOD Set 4.2: A 19 SER OG : rot 175:sc= -0.702 USER MOD Set 5.1: A 13 HIS : no HE2:sc= -0.233 K(o=-0.33,f=-1.8!) USER MOD Set 5.2: A 69 SER OG : rot -160:sc= -0.1 USER MOD Single : A 11 CYS SG : rot -163:sc= -3.53! USER MOD Single : A 12 SER OG : rot -131:sc= 0.274 USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.21) USER MOD Single : A 20 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.83) USER MOD Single : A 21 SER OG : rot 100:sc= 0.958 USER MOD Single : A 25 SER OG : rot -49:sc= 1.21 USER MOD Single : A 26 SER OG : rot 178:sc= 1.49 USER MOD Single : A 29 GLN : amide:sc= -0.0201 K(o=-0.02,f=-2.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -150:sc= 0.951 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.6!) USER MOD Single : A 46 TYR OH : rot -176:sc= -0.194 USER MOD Single : A 49 LYS NZ :NH3+ -113:sc= 0.746 (180deg=-0.286) USER MOD Single : A 52 SER OG : rot -79:sc= 1.23 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 64:sc= -1.8! USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0105 F(o=-1.3!,f=-0.01) USER MOD Single : A 65 SER OG : rot 129:sc= 0.295 USER MOD Single : A 67 CYS SG : rot 180:sc= 0.169 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= -0.0821 (180deg=-0.354) USER MOD Single : A 84 MET CE :methyl -157:sc= 0 (180deg=-0.15) USER MOD Single : A 85 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.12) USER MOD Single : A 86 LYS NZ :NH3+ 173:sc=-0.000284 (180deg=-0.0909) USER MOD Single : A 97 THR OG1 : rot -43:sc= 1.33 USER MOD Single : A 100 MET CE :methyl 175:sc= -0.8 (180deg=-0.886) USER MOD Single : A 101 SER OG : rot 130:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -166:sc= -1.06! USER MOD ----------------------------------------------------------------- ATOM 85 N ALA A 7 13.615 8.782 10.887 1.00 0.23 N ATOM 86 CA ALA A 7 13.090 7.828 11.847 1.00 3.34 C ATOM 87 C ALA A 7 11.592 7.637 11.684 1.00 60.34 C ATOM 88 O ALA A 7 11.092 6.514 11.727 1.00 22.41 O ATOM 89 CB ALA A 7 13.412 8.281 13.259 1.00 5.04 C ATOM 0 HA ALA A 7 13.568 6.866 11.659 1.00 3.34 H new ATOM 0 HB1 ALA A 7 13.014 7.559 13.972 1.00 5.04 H new ATOM 0 HB2 ALA A 7 14.493 8.353 13.380 1.00 5.04 H new ATOM 0 HB3 ALA A 7 12.961 9.256 13.440 1.00 5.04 H new ATOM 95 N ARG A 8 10.883 8.737 11.497 1.00 22.41 N ATOM 96 CA ARG A 8 9.436 8.703 11.358 1.00 30.50 C ATOM 97 C ARG A 8 8.988 9.551 10.177 1.00 23.24 C ATOM 98 O ARG A 8 9.290 10.748 10.108 1.00 10.21 O ATOM 99 CB ARG A 8 8.764 9.209 12.639 1.00 13.03 C ATOM 100 CG ARG A 8 9.151 8.436 13.892 1.00 34.33 C ATOM 101 CD ARG A 8 8.486 9.010 15.128 1.00 53.44 C ATOM 102 NE ARG A 8 8.864 10.404 15.361 1.00 0.04 N ATOM 103 CZ ARG A 8 8.270 11.208 16.252 1.00 54.23 C ATOM 104 NH1 ARG A 8 7.285 10.748 17.023 1.00 74.44 N ATOM 105 NH2 ARG A 8 8.670 12.464 16.377 1.00 3.32 N ATOM 0 H ARG A 8 11.289 9.671 11.438 1.00 22.41 H new ATOM 0 HA ARG A 8 9.138 7.669 11.182 1.00 30.50 H new ATOM 0 HB2 ARG A 8 9.019 10.259 12.780 1.00 13.03 H new ATOM 0 HB3 ARG A 8 7.682 9.158 12.513 1.00 13.03 H new ATOM 0 HG2 ARG A 8 8.867 7.390 13.777 1.00 34.33 H new ATOM 0 HG3 ARG A 8 10.234 8.460 14.016 1.00 34.33 H new ATOM 0 HD2 ARG A 8 7.403 8.942 15.021 1.00 53.44 H new ATOM 0 HD3 ARG A 8 8.759 8.411 15.997 1.00 53.44 H new ATOM 0 HE ARG A 8 9.630 10.789 14.809 1.00 0.04 H new ATOM 0 HH11 ARG A 8 6.980 9.779 16.936 1.00 74.44 H new ATOM 0 HH12 ARG A 8 6.836 11.365 17.700 1.00 74.44 H new ATOM 0 HH21 ARG A 8 9.429 12.818 15.795 1.00 3.32 H new ATOM 0 HH22 ARG A 8 8.219 13.078 17.055 1.00 3.32 H new ATOM 119 N VAL A 9 8.276 8.935 9.250 1.00 72.21 N ATOM 120 CA VAL A 9 7.769 9.638 8.080 1.00 72.45 C ATOM 121 C VAL A 9 6.282 9.384 7.918 1.00 71.11 C ATOM 122 O VAL A 9 5.751 8.419 8.474 1.00 21.14 O ATOM 123 CB VAL A 9 8.497 9.215 6.777 1.00 63.21 C ATOM 124 CG1 VAL A 9 9.986 9.494 6.873 1.00 44.11 C ATOM 125 CG2 VAL A 9 8.241 7.747 6.460 1.00 42.44 C ATOM 0 H VAL A 9 8.034 7.945 9.283 1.00 72.21 H new ATOM 0 HA VAL A 9 7.956 10.699 8.245 1.00 72.45 H new ATOM 0 HB VAL A 9 8.093 9.812 5.959 1.00 63.21 H new ATOM 0 HG11 VAL A 9 10.474 9.189 5.947 1.00 44.11 H new ATOM 0 HG12 VAL A 9 10.147 10.560 7.033 1.00 44.11 H new ATOM 0 HG13 VAL A 9 10.408 8.934 7.707 1.00 44.11 H new ATOM 0 HG21 VAL A 9 8.763 7.477 5.542 1.00 42.44 H new ATOM 0 HG22 VAL A 9 8.606 7.129 7.280 1.00 42.44 H new ATOM 0 HG23 VAL A 9 7.171 7.584 6.331 1.00 42.44 H new ATOM 135 N ARG A 10 5.615 10.245 7.174 1.00 42.24 N ATOM 136 CA ARG A 10 4.195 10.094 6.934 1.00 12.41 C ATOM 137 C ARG A 10 3.955 9.551 5.534 1.00 72.20 C ATOM 138 O ARG A 10 4.252 10.219 4.536 1.00 62.13 O ATOM 139 CB ARG A 10 3.474 11.431 7.114 1.00 13.15 C ATOM 140 CG ARG A 10 1.976 11.358 6.871 1.00 65.53 C ATOM 141 CD ARG A 10 1.314 12.716 7.031 1.00 14.52 C ATOM 142 NE ARG A 10 -0.110 12.671 6.699 1.00 13.20 N ATOM 143 CZ ARG A 10 -0.932 13.725 6.732 1.00 35.13 C ATOM 144 NH1 ARG A 10 -0.467 14.931 7.039 1.00 12.31 N ATOM 145 NH2 ARG A 10 -2.217 13.575 6.433 1.00 10.11 N ATOM 0 H ARG A 10 6.036 11.058 6.725 1.00 42.24 H new ATOM 0 HA ARG A 10 3.795 9.386 7.660 1.00 12.41 H new ATOM 0 HB2 ARG A 10 3.651 11.795 8.126 1.00 13.15 H new ATOM 0 HB3 ARG A 10 3.908 12.162 6.432 1.00 13.15 H new ATOM 0 HG2 ARG A 10 1.788 10.978 5.867 1.00 65.53 H new ATOM 0 HG3 ARG A 10 1.528 10.650 7.569 1.00 65.53 H new ATOM 0 HD2 ARG A 10 1.437 13.061 8.058 1.00 14.52 H new ATOM 0 HD3 ARG A 10 1.814 13.441 6.389 1.00 14.52 H new ATOM 0 HE ARG A 10 -0.504 11.772 6.423 1.00 13.20 H new ATOM 0 HH11 ARG A 10 0.523 15.057 7.251 1.00 12.31 H new ATOM 0 HH12 ARG A 10 -1.100 15.731 7.062 1.00 12.31 H new ATOM 0 HH21 ARG A 10 -2.577 12.655 6.178 1.00 10.11 H new ATOM 0 HH22 ARG A 10 -2.844 14.379 6.458 1.00 10.11 H new ATOM 159 N CYS A 11 3.426 8.347 5.466 1.00 43.34 N ATOM 160 CA CYS A 11 3.155 7.707 4.196 1.00 41.42 C ATOM 161 C CYS A 11 1.820 6.985 4.237 1.00 3.21 C ATOM 162 O CYS A 11 1.448 6.397 5.259 1.00 42.22 O ATOM 163 CB CYS A 11 4.261 6.703 3.850 1.00 61.42 C ATOM 164 SG CYS A 11 5.927 7.397 3.817 1.00 30.10 S ATOM 0 H CYS A 11 3.174 7.789 6.282 1.00 43.34 H new ATOM 0 HA CYS A 11 3.122 8.483 3.431 1.00 41.42 H new ATOM 0 HB2 CYS A 11 4.235 5.890 4.576 1.00 61.42 H new ATOM 0 HB3 CYS A 11 4.045 6.267 2.875 1.00 61.42 H new ATOM 0 HG CYS A 11 6.719 6.593 3.173 1.00 30.10 H new ATOM 170 N SER A 12 1.106 7.037 3.138 1.00 34.42 N ATOM 171 CA SER A 12 -0.141 6.336 3.010 1.00 64.43 C ATOM 172 C SER A 12 0.114 5.036 2.261 1.00 11.24 C ATOM 173 O SER A 12 1.052 4.950 1.459 1.00 64.11 O ATOM 174 CB SER A 12 -1.172 7.201 2.273 1.00 52.42 C ATOM 175 OG SER A 12 -2.429 6.545 2.194 1.00 21.45 O ATOM 0 H SER A 12 1.376 7.567 2.310 1.00 34.42 H new ATOM 0 HA SER A 12 -0.548 6.115 3.997 1.00 64.43 H new ATOM 0 HB2 SER A 12 -1.288 8.154 2.790 1.00 52.42 H new ATOM 0 HB3 SER A 12 -0.812 7.425 1.269 1.00 52.42 H new ATOM 0 HG SER A 12 -2.761 6.584 1.273 1.00 21.45 H new ATOM 181 N HIS A 13 -0.688 4.025 2.526 1.00 12.22 N ATOM 182 CA HIS A 13 -0.484 2.734 1.899 1.00 35.45 C ATOM 183 C HIS A 13 -1.791 1.997 1.665 1.00 23.13 C ATOM 184 O HIS A 13 -2.670 1.962 2.532 1.00 51.42 O ATOM 185 CB HIS A 13 0.488 1.862 2.723 1.00 1.11 C ATOM 186 CG HIS A 13 0.086 1.661 4.160 1.00 2.02 C ATOM 187 ND1 HIS A 13 -0.396 0.469 4.653 1.00 43.41 N ATOM 188 CD2 HIS A 13 0.115 2.510 5.212 1.00 4.14 C ATOM 189 CE1 HIS A 13 -0.648 0.597 5.939 1.00 51.52 C ATOM 190 NE2 HIS A 13 -0.347 1.826 6.305 1.00 71.11 N ATOM 0 H HIS A 13 -1.481 4.070 3.166 1.00 12.22 H new ATOM 0 HA HIS A 13 -0.037 2.926 0.923 1.00 35.45 H new ATOM 0 HB2 HIS A 13 0.575 0.887 2.244 1.00 1.11 H new ATOM 0 HB3 HIS A 13 1.477 2.320 2.697 1.00 1.11 H new ATOM 0 HD1 HIS A 13 -0.536 -0.381 4.107 1.00 43.41 H new ATOM 0 HD2 HIS A 13 0.442 3.539 5.194 1.00 4.14 H new ATOM 0 HE1 HIS A 13 -1.036 -0.176 6.585 1.00 51.52 H new ATOM 199 N LEU A 14 -1.894 1.401 0.498 1.00 1.14 N ATOM 200 CA LEU A 14 -3.052 0.622 0.113 1.00 34.54 C ATOM 201 C LEU A 14 -2.666 -0.848 0.121 1.00 2.44 C ATOM 202 O LEU A 14 -1.647 -1.230 -0.461 1.00 4.51 O ATOM 203 CB LEU A 14 -3.527 1.062 -1.296 1.00 63.25 C ATOM 204 CG LEU A 14 -4.873 0.494 -1.806 1.00 13.12 C ATOM 205 CD1 LEU A 14 -5.382 1.333 -2.965 1.00 52.05 C ATOM 206 CD2 LEU A 14 -4.730 -0.956 -2.255 1.00 62.32 C ATOM 0 H LEU A 14 -1.169 1.443 -0.218 1.00 1.14 H new ATOM 0 HA LEU A 14 -3.872 0.782 0.813 1.00 34.54 H new ATOM 0 HB2 LEU A 14 -3.597 2.150 -1.303 1.00 63.25 H new ATOM 0 HB3 LEU A 14 -2.753 0.788 -2.013 1.00 63.25 H new ATOM 0 HG LEU A 14 -5.585 0.530 -0.981 1.00 13.12 H new ATOM 0 HD11 LEU A 14 -6.330 0.927 -3.319 1.00 52.05 H new ATOM 0 HD12 LEU A 14 -5.528 2.361 -2.633 1.00 52.05 H new ATOM 0 HD13 LEU A 14 -4.654 1.314 -3.776 1.00 52.05 H new ATOM 0 HD21 LEU A 14 -5.693 -1.324 -2.607 1.00 62.32 H new ATOM 0 HD22 LEU A 14 -4.001 -1.016 -3.063 1.00 62.32 H new ATOM 0 HD23 LEU A 14 -4.393 -1.565 -1.416 1.00 62.32 H new ATOM 218 N LEU A 15 -3.454 -1.660 0.794 1.00 25.15 N ATOM 219 CA LEU A 15 -3.178 -3.082 0.888 1.00 53.11 C ATOM 220 C LEU A 15 -4.203 -3.894 0.131 1.00 63.41 C ATOM 221 O LEU A 15 -5.355 -4.011 0.550 1.00 2.22 O ATOM 222 CB LEU A 15 -3.112 -3.535 2.359 1.00 41.52 C ATOM 223 CG LEU A 15 -3.166 -5.060 2.612 1.00 51.23 C ATOM 224 CD1 LEU A 15 -2.104 -5.798 1.809 1.00 14.13 C ATOM 225 CD2 LEU A 15 -3.002 -5.357 4.090 1.00 13.44 C ATOM 0 H LEU A 15 -4.295 -1.360 1.287 1.00 25.15 H new ATOM 0 HA LEU A 15 -2.205 -3.257 0.429 1.00 53.11 H new ATOM 0 HB2 LEU A 15 -2.190 -3.149 2.794 1.00 41.52 H new ATOM 0 HB3 LEU A 15 -3.938 -3.070 2.897 1.00 41.52 H new ATOM 0 HG LEU A 15 -4.143 -5.415 2.283 1.00 51.23 H new ATOM 0 HD11 LEU A 15 -2.172 -6.867 2.012 1.00 14.13 H new ATOM 0 HD12 LEU A 15 -2.263 -5.620 0.745 1.00 14.13 H new ATOM 0 HD13 LEU A 15 -1.116 -5.437 2.094 1.00 14.13 H new ATOM 0 HD21 LEU A 15 -3.042 -6.434 4.251 1.00 13.44 H new ATOM 0 HD22 LEU A 15 -2.041 -4.974 4.434 1.00 13.44 H new ATOM 0 HD23 LEU A 15 -3.805 -4.876 4.649 1.00 13.44 H new ATOM 237 N VAL A 16 -3.783 -4.446 -0.980 1.00 71.15 N ATOM 238 CA VAL A 16 -4.633 -5.301 -1.764 1.00 63.43 C ATOM 239 C VAL A 16 -4.207 -6.757 -1.573 1.00 14.14 C ATOM 240 O VAL A 16 -3.044 -7.122 -1.804 1.00 12.43 O ATOM 241 CB VAL A 16 -4.620 -4.911 -3.274 1.00 33.13 C ATOM 242 CG1 VAL A 16 -3.208 -4.916 -3.841 1.00 12.21 C ATOM 243 CG2 VAL A 16 -5.528 -5.827 -4.079 1.00 3.14 C ATOM 0 H VAL A 16 -2.847 -4.315 -1.363 1.00 71.15 H new ATOM 0 HA VAL A 16 -5.658 -5.175 -1.416 1.00 63.43 H new ATOM 0 HB VAL A 16 -5.003 -3.894 -3.353 1.00 33.13 H new ATOM 0 HG11 VAL A 16 -3.238 -4.640 -4.895 1.00 12.21 H new ATOM 0 HG12 VAL A 16 -2.594 -4.199 -3.295 1.00 12.21 H new ATOM 0 HG13 VAL A 16 -2.779 -5.913 -3.739 1.00 12.21 H new ATOM 0 HG21 VAL A 16 -5.502 -5.535 -5.129 1.00 3.14 H new ATOM 0 HG22 VAL A 16 -5.185 -6.857 -3.981 1.00 3.14 H new ATOM 0 HG23 VAL A 16 -6.549 -5.747 -3.706 1.00 3.14 H new ATOM 253 N LYS A 17 -5.129 -7.577 -1.110 1.00 12.22 N ATOM 254 CA LYS A 17 -4.832 -8.975 -0.870 1.00 71.43 C ATOM 255 C LYS A 17 -5.075 -9.802 -2.118 1.00 63.23 C ATOM 256 O LYS A 17 -5.517 -9.286 -3.149 1.00 43.20 O ATOM 257 CB LYS A 17 -5.674 -9.527 0.279 1.00 32.54 C ATOM 258 CG LYS A 17 -5.382 -8.918 1.638 1.00 22.43 C ATOM 259 CD LYS A 17 -6.232 -9.578 2.709 1.00 50.14 C ATOM 260 CE LYS A 17 -5.987 -8.978 4.079 1.00 41.52 C ATOM 261 NZ LYS A 17 -6.783 -9.667 5.129 1.00 15.23 N ATOM 0 H LYS A 17 -6.087 -7.301 -0.893 1.00 12.22 H new ATOM 0 HA LYS A 17 -3.779 -9.042 -0.598 1.00 71.43 H new ATOM 0 HB2 LYS A 17 -6.727 -9.370 0.046 1.00 32.54 H new ATOM 0 HB3 LYS A 17 -5.518 -10.604 0.339 1.00 32.54 H new ATOM 0 HG2 LYS A 17 -4.326 -9.039 1.878 1.00 22.43 H new ATOM 0 HG3 LYS A 17 -5.583 -7.847 1.614 1.00 22.43 H new ATOM 0 HD2 LYS A 17 -7.286 -9.473 2.451 1.00 50.14 H new ATOM 0 HD3 LYS A 17 -6.015 -10.646 2.737 1.00 50.14 H new ATOM 0 HE2 LYS A 17 -4.927 -9.046 4.322 1.00 41.52 H new ATOM 0 HE3 LYS A 17 -6.243 -7.919 4.064 1.00 41.52 H new ATOM 0 HZ1 LYS A 17 -6.616 -9.209 6.048 1.00 15.23 H new ATOM 0 HZ2 LYS A 17 -7.794 -9.610 4.892 1.00 15.23 H new ATOM 0 HZ3 LYS A 17 -6.496 -10.665 5.183 1.00 15.23 H new ATOM 275 N HIS A 18 -4.790 -11.083 -2.013 1.00 53.13 N ATOM 276 CA HIS A 18 -4.981 -12.018 -3.100 1.00 4.31 C ATOM 277 C HIS A 18 -4.877 -13.438 -2.568 1.00 71.53 C ATOM 278 O HIS A 18 -4.762 -13.629 -1.360 1.00 71.34 O ATOM 279 CB HIS A 18 -3.971 -11.769 -4.249 1.00 52.24 C ATOM 280 CG HIS A 18 -2.525 -11.950 -3.886 1.00 53.34 C ATOM 281 ND1 HIS A 18 -1.762 -12.996 -4.353 1.00 3.41 N ATOM 282 CD2 HIS A 18 -1.694 -11.190 -3.130 1.00 41.21 C ATOM 283 CE1 HIS A 18 -0.529 -12.872 -3.902 1.00 64.44 C ATOM 284 NE2 HIS A 18 -0.463 -11.787 -3.160 1.00 12.40 N ATOM 0 H HIS A 18 -4.416 -11.507 -1.164 1.00 53.13 H new ATOM 0 HA HIS A 18 -5.976 -11.870 -3.520 1.00 4.31 H new ATOM 0 HB2 HIS A 18 -4.209 -12.444 -5.072 1.00 52.24 H new ATOM 0 HB3 HIS A 18 -4.111 -10.753 -4.619 1.00 52.24 H new ATOM 0 HD2 HIS A 18 -1.955 -10.284 -2.603 1.00 41.21 H new ATOM 0 HE1 HIS A 18 0.289 -13.547 -4.107 1.00 64.44 H new ATOM 0 HE2 HIS A 18 0.372 -11.446 -2.684 1.00 12.40 H new ATOM 293 N SER A 19 -4.922 -14.412 -3.470 1.00 53.11 N ATOM 294 CA SER A 19 -4.846 -15.834 -3.127 1.00 71.52 C ATOM 295 C SER A 19 -3.755 -16.125 -2.088 1.00 55.11 C ATOM 296 O SER A 19 -4.042 -16.585 -0.980 1.00 5.42 O ATOM 297 CB SER A 19 -4.597 -16.641 -4.398 1.00 11.21 C ATOM 298 OG SER A 19 -3.551 -16.057 -5.177 1.00 12.44 O ATOM 0 H SER A 19 -5.013 -14.239 -4.471 1.00 53.11 H new ATOM 0 HA SER A 19 -5.795 -16.125 -2.677 1.00 71.52 H new ATOM 0 HB2 SER A 19 -4.332 -17.666 -4.137 1.00 11.21 H new ATOM 0 HB3 SER A 19 -5.512 -16.689 -4.988 1.00 11.21 H new ATOM 0 HG SER A 19 -3.353 -16.634 -5.944 1.00 12.44 H new ATOM 304 N GLN A 20 -2.516 -15.854 -2.449 1.00 5.01 N ATOM 305 CA GLN A 20 -1.405 -16.067 -1.545 1.00 32.25 C ATOM 306 C GLN A 20 -1.273 -14.894 -0.586 1.00 75.11 C ATOM 307 O GLN A 20 -0.681 -13.870 -0.918 1.00 55.22 O ATOM 308 CB GLN A 20 -0.104 -16.276 -2.324 1.00 25.32 C ATOM 309 CG GLN A 20 -0.173 -17.410 -3.335 1.00 13.01 C ATOM 310 CD GLN A 20 -0.593 -18.726 -2.707 1.00 72.45 C ATOM 311 OE1 GLN A 20 -0.302 -18.998 -1.539 1.00 43.03 O ATOM 312 NE2 GLN A 20 -1.280 -19.547 -3.470 1.00 42.51 N ATOM 0 H GLN A 20 -2.254 -15.485 -3.363 1.00 5.01 H new ATOM 0 HA GLN A 20 -1.601 -16.969 -0.965 1.00 32.25 H new ATOM 0 HB2 GLN A 20 0.150 -15.352 -2.844 1.00 25.32 H new ATOM 0 HB3 GLN A 20 0.703 -16.478 -1.619 1.00 25.32 H new ATOM 0 HG2 GLN A 20 -0.878 -17.147 -4.124 1.00 13.01 H new ATOM 0 HG3 GLN A 20 0.802 -17.531 -3.807 1.00 13.01 H new ATOM 0 HE21 GLN A 20 -1.501 -19.286 -4.431 1.00 42.51 H new ATOM 0 HE22 GLN A 20 -1.592 -20.445 -3.101 1.00 42.51 H new ATOM 321 N SER A 21 -1.858 -15.036 0.579 1.00 41.42 N ATOM 322 CA SER A 21 -1.824 -14.004 1.590 1.00 11.33 C ATOM 323 C SER A 21 -1.977 -14.636 2.970 1.00 1.01 C ATOM 324 O SER A 21 -2.174 -15.852 3.082 1.00 71.23 O ATOM 325 CB SER A 21 -2.947 -12.979 1.333 1.00 21.02 C ATOM 326 OG SER A 21 -2.923 -11.918 2.282 1.00 24.01 O ATOM 0 H SER A 21 -2.373 -15.872 0.854 1.00 41.42 H new ATOM 0 HA SER A 21 -0.867 -13.483 1.547 1.00 11.33 H new ATOM 0 HB2 SER A 21 -2.843 -12.570 0.328 1.00 21.02 H new ATOM 0 HB3 SER A 21 -3.914 -13.481 1.374 1.00 21.02 H new ATOM 0 HG SER A 21 -2.481 -11.137 1.888 1.00 24.01 H new ATOM 332 N ARG A 22 -1.893 -13.813 4.006 1.00 40.05 N ATOM 333 CA ARG A 22 -2.027 -14.279 5.379 1.00 73.31 C ATOM 334 C ARG A 22 -3.454 -14.746 5.635 1.00 45.43 C ATOM 335 O ARG A 22 -3.687 -15.705 6.375 1.00 63.24 O ATOM 336 CB ARG A 22 -1.652 -13.162 6.357 1.00 2.11 C ATOM 337 CG ARG A 22 -0.248 -12.607 6.157 1.00 41.52 C ATOM 338 CD ARG A 22 0.813 -13.669 6.387 1.00 52.35 C ATOM 339 NE ARG A 22 0.791 -14.177 7.756 1.00 43.50 N ATOM 340 CZ ARG A 22 1.498 -15.222 8.181 1.00 14.42 C ATOM 341 NH1 ARG A 22 2.301 -15.867 7.348 1.00 33.01 N ATOM 342 NH2 ARG A 22 1.404 -15.612 9.442 1.00 61.30 N ATOM 0 H ARG A 22 -1.731 -12.810 3.920 1.00 40.05 H new ATOM 0 HA ARG A 22 -1.349 -15.118 5.533 1.00 73.31 H new ATOM 0 HB2 ARG A 22 -2.371 -12.349 6.256 1.00 2.11 H new ATOM 0 HB3 ARG A 22 -1.740 -13.540 7.375 1.00 2.11 H new ATOM 0 HG2 ARG A 22 -0.154 -12.211 5.146 1.00 41.52 H new ATOM 0 HG3 ARG A 22 -0.085 -11.775 6.842 1.00 41.52 H new ATOM 0 HD2 ARG A 22 0.657 -14.494 5.692 1.00 52.35 H new ATOM 0 HD3 ARG A 22 1.796 -13.252 6.171 1.00 52.35 H new ATOM 0 HE ARG A 22 0.194 -13.699 8.431 1.00 43.50 H new ATOM 0 HH11 ARG A 22 2.379 -15.563 6.377 1.00 33.01 H new ATOM 0 HH12 ARG A 22 2.841 -16.667 7.677 1.00 33.01 H new ATOM 0 HH21 ARG A 22 0.791 -15.112 10.086 1.00 61.30 H new ATOM 0 HH22 ARG A 22 1.945 -16.412 9.770 1.00 61.30 H new ATOM 356 N ARG A 23 -4.400 -14.058 5.017 1.00 2.34 N ATOM 357 CA ARG A 23 -5.807 -14.392 5.123 1.00 62.13 C ATOM 358 C ARG A 23 -6.580 -13.684 4.019 1.00 42.32 C ATOM 359 O ARG A 23 -6.751 -12.461 4.062 1.00 2.32 O ATOM 360 CB ARG A 23 -6.358 -13.996 6.496 1.00 72.31 C ATOM 361 CG ARG A 23 -7.797 -14.423 6.734 1.00 73.24 C ATOM 362 CD ARG A 23 -8.244 -14.075 8.142 1.00 32.31 C ATOM 363 NE ARG A 23 -9.593 -14.564 8.426 1.00 34.44 N ATOM 364 CZ ARG A 23 -10.186 -14.480 9.618 1.00 13.34 C ATOM 365 NH1 ARG A 23 -9.550 -13.929 10.647 1.00 63.55 N ATOM 366 NH2 ARG A 23 -11.410 -14.956 9.784 1.00 73.40 N ATOM 0 H ARG A 23 -4.211 -13.249 4.426 1.00 2.34 H new ATOM 0 HA ARG A 23 -5.923 -15.470 5.012 1.00 62.13 H new ATOM 0 HB2 ARG A 23 -5.727 -14.435 7.269 1.00 72.31 H new ATOM 0 HB3 ARG A 23 -6.289 -12.914 6.605 1.00 72.31 H new ATOM 0 HG2 ARG A 23 -8.449 -13.934 6.011 1.00 73.24 H new ATOM 0 HG3 ARG A 23 -7.892 -15.497 6.574 1.00 73.24 H new ATOM 0 HD2 ARG A 23 -7.545 -14.503 8.860 1.00 32.31 H new ATOM 0 HD3 ARG A 23 -8.215 -12.993 8.274 1.00 32.31 H new ATOM 0 HE ARG A 23 -10.114 -14.997 7.663 1.00 34.44 H new ATOM 0 HH11 ARG A 23 -8.604 -13.568 10.527 1.00 63.55 H new ATOM 0 HH12 ARG A 23 -10.008 -13.867 11.556 1.00 63.55 H new ATOM 0 HH21 ARG A 23 -11.900 -15.387 9.000 1.00 73.40 H new ATOM 0 HH22 ARG A 23 -11.863 -14.892 10.696 1.00 73.40 H new ATOM 380 N PRO A 24 -7.039 -14.437 3.007 1.00 40.12 N ATOM 381 CA PRO A 24 -7.778 -13.880 1.864 1.00 63.15 C ATOM 382 C PRO A 24 -9.214 -13.478 2.227 1.00 65.14 C ATOM 383 O PRO A 24 -10.170 -13.881 1.573 1.00 14.35 O ATOM 384 CB PRO A 24 -7.782 -15.033 0.856 1.00 43.33 C ATOM 385 CG PRO A 24 -7.702 -16.262 1.691 1.00 63.11 C ATOM 386 CD PRO A 24 -6.866 -15.901 2.889 1.00 70.14 C ATOM 0 HA PRO A 24 -7.319 -12.965 1.490 1.00 63.15 H new ATOM 0 HB2 PRO A 24 -8.687 -15.025 0.248 1.00 43.33 H new ATOM 0 HB3 PRO A 24 -6.937 -14.964 0.171 1.00 43.33 H new ATOM 0 HG2 PRO A 24 -8.696 -16.592 1.995 1.00 63.11 H new ATOM 0 HG3 PRO A 24 -7.250 -17.083 1.134 1.00 63.11 H new ATOM 0 HD2 PRO A 24 -7.207 -16.418 3.786 1.00 70.14 H new ATOM 0 HD3 PRO A 24 -5.820 -16.170 2.744 1.00 70.14 H new ATOM 394 N SER A 25 -9.346 -12.676 3.260 1.00 51.45 N ATOM 395 CA SER A 25 -10.634 -12.195 3.706 1.00 24.52 C ATOM 396 C SER A 25 -10.544 -10.717 4.053 1.00 70.42 C ATOM 397 O SER A 25 -9.501 -10.244 4.530 1.00 53.02 O ATOM 398 CB SER A 25 -11.107 -12.996 4.922 1.00 75.35 C ATOM 399 OG SER A 25 -11.187 -14.381 4.618 1.00 44.24 O ATOM 0 H SER A 25 -8.560 -12.338 3.816 1.00 51.45 H new ATOM 0 HA SER A 25 -11.357 -12.326 2.901 1.00 24.52 H new ATOM 0 HB2 SER A 25 -10.420 -12.841 5.754 1.00 75.35 H new ATOM 0 HB3 SER A 25 -12.083 -12.633 5.244 1.00 75.35 H new ATOM 0 HG SER A 25 -11.680 -14.504 3.780 1.00 44.24 H new ATOM 405 N SER A 26 -11.609 -9.988 3.786 1.00 72.44 N ATOM 406 CA SER A 26 -11.660 -8.579 4.089 1.00 71.11 C ATOM 407 C SER A 26 -13.103 -8.126 4.240 1.00 50.15 C ATOM 408 O SER A 26 -14.031 -8.947 4.241 1.00 14.41 O ATOM 409 CB SER A 26 -10.980 -7.779 2.979 1.00 72.41 C ATOM 410 OG SER A 26 -11.665 -7.920 1.736 1.00 42.44 O ATOM 0 H SER A 26 -12.457 -10.357 3.355 1.00 72.44 H new ATOM 0 HA SER A 26 -11.134 -8.405 5.028 1.00 71.11 H new ATOM 0 HB2 SER A 26 -10.944 -6.726 3.258 1.00 72.41 H new ATOM 0 HB3 SER A 26 -9.949 -8.114 2.867 1.00 72.41 H new ATOM 0 HG SER A 26 -11.226 -7.368 1.056 1.00 42.44 H new ATOM 416 N TRP A 27 -13.287 -6.824 4.372 1.00 43.24 N ATOM 417 CA TRP A 27 -14.611 -6.239 4.467 1.00 24.43 C ATOM 418 C TRP A 27 -15.256 -6.165 3.086 1.00 42.13 C ATOM 419 O TRP A 27 -16.438 -5.854 2.954 1.00 25.21 O ATOM 420 CB TRP A 27 -14.528 -4.837 5.090 1.00 1.41 C ATOM 421 CG TRP A 27 -13.705 -3.862 4.290 1.00 53.32 C ATOM 422 CD1 TRP A 27 -12.343 -3.748 4.282 1.00 61.40 C ATOM 423 CD2 TRP A 27 -14.193 -2.858 3.389 1.00 55.13 C ATOM 424 NE1 TRP A 27 -11.958 -2.747 3.429 1.00 32.21 N ATOM 425 CE2 TRP A 27 -13.072 -2.183 2.871 1.00 62.33 C ATOM 426 CE3 TRP A 27 -15.468 -2.467 2.969 1.00 31.42 C ATOM 427 CZ2 TRP A 27 -13.186 -1.141 1.954 1.00 62.24 C ATOM 428 CZ3 TRP A 27 -15.579 -1.432 2.060 1.00 31.24 C ATOM 429 CH2 TRP A 27 -14.444 -0.780 1.562 1.00 34.12 C ATOM 0 H TRP A 27 -12.526 -6.146 4.416 1.00 43.24 H new ATOM 0 HA TRP A 27 -15.227 -6.871 5.107 1.00 24.43 H new ATOM 0 HB2 TRP A 27 -15.537 -4.440 5.202 1.00 1.41 H new ATOM 0 HB3 TRP A 27 -14.105 -4.919 6.091 1.00 1.41 H new ATOM 0 HD1 TRP A 27 -11.668 -4.358 4.864 1.00 61.40 H new ATOM 0 HE1 TRP A 27 -10.995 -2.467 3.241 1.00 32.21 H new ATOM 0 HE3 TRP A 27 -16.349 -2.964 3.348 1.00 31.42 H new ATOM 0 HZ2 TRP A 27 -12.313 -0.637 1.567 1.00 62.24 H new ATOM 0 HZ3 TRP A 27 -16.558 -1.120 1.728 1.00 31.24 H new ATOM 0 HH2 TRP A 27 -14.566 0.025 0.853 1.00 34.12 H new ATOM 440 N ARG A 28 -14.466 -6.448 2.058 1.00 0.53 N ATOM 441 CA ARG A 28 -14.953 -6.402 0.694 1.00 45.23 C ATOM 442 C ARG A 28 -15.343 -7.787 0.222 1.00 41.41 C ATOM 443 O ARG A 28 -16.417 -7.981 -0.347 1.00 75.34 O ATOM 444 CB ARG A 28 -13.902 -5.810 -0.242 1.00 13.33 C ATOM 445 CG ARG A 28 -13.420 -4.435 0.175 1.00 2.45 C ATOM 446 CD ARG A 28 -12.632 -3.763 -0.929 1.00 21.03 C ATOM 447 NE ARG A 28 -11.445 -4.521 -1.322 1.00 4.34 N ATOM 448 CZ ARG A 28 -10.921 -4.494 -2.545 1.00 11.30 C ATOM 449 NH1 ARG A 28 -11.525 -3.818 -3.514 1.00 34.35 N ATOM 450 NH2 ARG A 28 -9.797 -5.152 -2.803 1.00 70.14 N ATOM 0 H ARG A 28 -13.485 -6.712 2.148 1.00 0.53 H new ATOM 0 HA ARG A 28 -15.834 -5.760 0.675 1.00 45.23 H new ATOM 0 HB2 ARG A 28 -13.048 -6.486 -0.289 1.00 13.33 H new ATOM 0 HB3 ARG A 28 -14.317 -5.750 -1.248 1.00 13.33 H new ATOM 0 HG2 ARG A 28 -14.275 -3.814 0.442 1.00 2.45 H new ATOM 0 HG3 ARG A 28 -12.798 -4.521 1.066 1.00 2.45 H new ATOM 0 HD2 ARG A 28 -13.276 -3.629 -1.798 1.00 21.03 H new ATOM 0 HD3 ARG A 28 -12.330 -2.769 -0.600 1.00 21.03 H new ATOM 0 HE ARG A 28 -10.992 -5.104 -0.618 1.00 4.34 H new ATOM 0 HH11 ARG A 28 -12.393 -3.318 -3.322 1.00 34.35 H new ATOM 0 HH12 ARG A 28 -11.121 -3.799 -4.451 1.00 34.35 H new ATOM 0 HH21 ARG A 28 -9.334 -5.679 -2.063 1.00 70.14 H new ATOM 0 HH22 ARG A 28 -9.397 -5.130 -3.741 1.00 70.14 H new ATOM 464 N GLN A 29 -14.472 -8.749 0.453 1.00 75.23 N ATOM 465 CA GLN A 29 -14.736 -10.118 0.055 1.00 42.03 C ATOM 466 C GLN A 29 -14.388 -11.069 1.178 1.00 45.11 C ATOM 467 O GLN A 29 -13.339 -10.935 1.812 1.00 62.34 O ATOM 468 CB GLN A 29 -13.934 -10.491 -1.198 1.00 54.50 C ATOM 469 CG GLN A 29 -14.219 -9.618 -2.408 1.00 3.33 C ATOM 470 CD GLN A 29 -13.562 -10.141 -3.665 1.00 64.00 C ATOM 471 OE1 GLN A 29 -12.425 -9.793 -3.981 1.00 42.43 O ATOM 472 NE2 GLN A 29 -14.272 -10.980 -4.394 1.00 53.43 N ATOM 0 H GLN A 29 -13.574 -8.608 0.915 1.00 75.23 H new ATOM 0 HA GLN A 29 -15.799 -10.200 -0.173 1.00 42.03 H new ATOM 0 HB2 GLN A 29 -12.871 -10.432 -0.965 1.00 54.50 H new ATOM 0 HB3 GLN A 29 -14.147 -11.529 -1.455 1.00 54.50 H new ATOM 0 HG2 GLN A 29 -15.296 -9.557 -2.563 1.00 3.33 H new ATOM 0 HG3 GLN A 29 -13.867 -8.605 -2.212 1.00 3.33 H new ATOM 0 HE21 GLN A 29 -15.212 -11.244 -4.098 1.00 53.43 H new ATOM 0 HE22 GLN A 29 -13.881 -11.365 -5.254 1.00 53.43 H new ATOM 481 N GLU A 30 -15.267 -12.022 1.435 1.00 24.45 N ATOM 482 CA GLU A 30 -15.013 -13.016 2.459 1.00 65.21 C ATOM 483 C GLU A 30 -13.934 -13.977 1.987 1.00 65.30 C ATOM 484 O GLU A 30 -13.166 -14.515 2.787 1.00 73.23 O ATOM 485 CB GLU A 30 -16.292 -13.771 2.814 1.00 13.15 C ATOM 486 CG GLU A 30 -16.955 -14.468 1.640 1.00 44.33 C ATOM 487 CD GLU A 30 -18.159 -15.267 2.061 1.00 4.00 C ATOM 488 OE1 GLU A 30 -17.991 -16.443 2.440 1.00 60.44 O ATOM 489 OE2 GLU A 30 -19.276 -14.725 2.030 1.00 1.22 O ATOM 0 H GLU A 30 -16.158 -12.127 0.950 1.00 24.45 H new ATOM 0 HA GLU A 30 -14.665 -12.510 3.360 1.00 65.21 H new ATOM 0 HB2 GLU A 30 -16.061 -14.513 3.578 1.00 13.15 H new ATOM 0 HB3 GLU A 30 -17.002 -13.071 3.254 1.00 13.15 H new ATOM 0 HG2 GLU A 30 -17.254 -13.725 0.900 1.00 44.33 H new ATOM 0 HG3 GLU A 30 -16.234 -15.127 1.156 1.00 44.33 H new ATOM 496 N LYS A 31 -13.882 -14.186 0.686 1.00 43.14 N ATOM 497 CA LYS A 31 -12.873 -15.019 0.087 1.00 1.22 C ATOM 498 C LYS A 31 -12.288 -14.326 -1.128 1.00 23.34 C ATOM 499 O LYS A 31 -12.942 -14.200 -2.166 1.00 64.34 O ATOM 500 CB LYS A 31 -13.436 -16.382 -0.312 1.00 42.31 C ATOM 501 CG LYS A 31 -12.405 -17.277 -0.985 1.00 72.40 C ATOM 502 CD LYS A 31 -13.030 -18.535 -1.546 1.00 73.21 C ATOM 503 CE LYS A 31 -12.001 -19.367 -2.291 1.00 71.42 C ATOM 504 NZ LYS A 31 -12.616 -20.530 -2.970 1.00 40.34 N ATOM 0 H LYS A 31 -14.540 -13.781 0.020 1.00 43.14 H new ATOM 0 HA LYS A 31 -12.090 -15.184 0.827 1.00 1.22 H new ATOM 0 HB2 LYS A 31 -13.821 -16.884 0.576 1.00 42.31 H new ATOM 0 HB3 LYS A 31 -14.279 -16.237 -0.987 1.00 42.31 H new ATOM 0 HG2 LYS A 31 -11.915 -16.726 -1.788 1.00 72.40 H new ATOM 0 HG3 LYS A 31 -11.632 -17.546 -0.265 1.00 72.40 H new ATOM 0 HD2 LYS A 31 -13.462 -19.123 -0.736 1.00 73.21 H new ATOM 0 HD3 LYS A 31 -13.846 -18.271 -2.219 1.00 73.21 H new ATOM 0 HE2 LYS A 31 -11.494 -18.743 -3.027 1.00 71.42 H new ATOM 0 HE3 LYS A 31 -11.241 -19.715 -1.592 1.00 71.42 H new ATOM 0 HZ1 LYS A 31 -11.880 -21.071 -3.467 1.00 40.34 H new ATOM 0 HZ2 LYS A 31 -13.078 -21.139 -2.265 1.00 40.34 H new ATOM 0 HZ3 LYS A 31 -13.323 -20.197 -3.656 1.00 40.34 H new ATOM 518 N ILE A 32 -11.085 -13.854 -0.985 1.00 1.23 N ATOM 519 CA ILE A 32 -10.395 -13.201 -2.065 1.00 4.30 C ATOM 520 C ILE A 32 -9.757 -14.250 -2.968 1.00 42.21 C ATOM 521 O ILE A 32 -8.733 -14.845 -2.628 1.00 71.21 O ATOM 522 CB ILE A 32 -9.337 -12.220 -1.523 1.00 42.51 C ATOM 523 CG1 ILE A 32 -10.025 -11.149 -0.666 1.00 12.13 C ATOM 524 CG2 ILE A 32 -8.562 -11.582 -2.661 1.00 20.54 C ATOM 525 CD1 ILE A 32 -9.077 -10.177 -0.013 1.00 34.32 C ATOM 0 H ILE A 32 -10.552 -13.909 -0.117 1.00 1.23 H new ATOM 0 HA ILE A 32 -11.111 -12.622 -2.649 1.00 4.30 H new ATOM 0 HB ILE A 32 -8.627 -12.769 -0.905 1.00 42.51 H new ATOM 0 HG12 ILE A 32 -10.724 -10.593 -1.291 1.00 12.13 H new ATOM 0 HG13 ILE A 32 -10.613 -11.642 0.108 1.00 12.13 H new ATOM 0 HG21 ILE A 32 -7.821 -10.893 -2.255 1.00 20.54 H new ATOM 0 HG22 ILE A 32 -8.059 -12.358 -3.238 1.00 20.54 H new ATOM 0 HG23 ILE A 32 -9.249 -11.036 -3.308 1.00 20.54 H new ATOM 0 HD11 ILE A 32 -9.644 -9.454 0.574 1.00 34.32 H new ATOM 0 HD12 ILE A 32 -8.394 -10.719 0.641 1.00 34.32 H new ATOM 0 HD13 ILE A 32 -8.507 -9.654 -0.780 1.00 34.32 H new ATOM 537 N THR A 33 -10.387 -14.486 -4.101 1.00 71.51 N ATOM 538 CA THR A 33 -9.959 -15.525 -5.015 1.00 63.42 C ATOM 539 C THR A 33 -8.890 -15.027 -5.996 1.00 2.33 C ATOM 540 O THR A 33 -8.125 -15.831 -6.541 1.00 64.31 O ATOM 541 CB THR A 33 -11.167 -16.076 -5.809 1.00 0.31 C ATOM 542 OG1 THR A 33 -12.278 -16.278 -4.918 1.00 20.32 O ATOM 543 CG2 THR A 33 -10.822 -17.399 -6.482 1.00 30.12 C ATOM 0 H THR A 33 -11.207 -13.965 -4.413 1.00 71.51 H new ATOM 0 HA THR A 33 -9.520 -16.319 -4.411 1.00 63.42 H new ATOM 0 HB THR A 33 -11.428 -15.350 -6.578 1.00 0.31 H new ATOM 0 HG1 THR A 33 -13.043 -16.625 -5.423 1.00 20.32 H new ATOM 0 HG21 THR A 33 -11.689 -17.764 -7.033 1.00 30.12 H new ATOM 0 HG22 THR A 33 -9.990 -17.251 -7.171 1.00 30.12 H new ATOM 0 HG23 THR A 33 -10.540 -18.130 -5.724 1.00 30.12 H new ATOM 551 N ARG A 34 -8.829 -13.702 -6.198 1.00 52.33 N ATOM 552 CA ARG A 34 -7.895 -13.097 -7.164 1.00 41.14 C ATOM 553 C ARG A 34 -6.457 -13.615 -6.971 1.00 64.54 C ATOM 554 O ARG A 34 -5.914 -13.601 -5.864 1.00 14.43 O ATOM 555 CB ARG A 34 -7.928 -11.550 -7.075 1.00 25.20 C ATOM 556 CG ARG A 34 -7.251 -10.979 -5.836 1.00 33.22 C ATOM 557 CD ARG A 34 -7.366 -9.462 -5.758 1.00 3.20 C ATOM 558 NE ARG A 34 -8.706 -9.026 -5.362 1.00 11.01 N ATOM 559 CZ ARG A 34 -8.981 -8.354 -4.233 1.00 21.25 C ATOM 560 NH1 ARG A 34 -8.011 -8.075 -3.360 1.00 64.03 N ATOM 561 NH2 ARG A 34 -10.226 -7.979 -3.971 1.00 63.42 N ATOM 0 H ARG A 34 -9.415 -13.028 -5.706 1.00 52.33 H new ATOM 0 HA ARG A 34 -8.225 -13.395 -8.159 1.00 41.14 H new ATOM 0 HB2 ARG A 34 -7.446 -11.136 -7.961 1.00 25.20 H new ATOM 0 HB3 ARG A 34 -8.966 -11.219 -7.093 1.00 25.20 H new ATOM 0 HG2 ARG A 34 -7.698 -11.421 -4.945 1.00 33.22 H new ATOM 0 HG3 ARG A 34 -6.198 -11.261 -5.838 1.00 33.22 H new ATOM 0 HD2 ARG A 34 -6.636 -9.081 -5.043 1.00 3.20 H new ATOM 0 HD3 ARG A 34 -7.118 -9.031 -6.728 1.00 3.20 H new ATOM 0 HE ARG A 34 -9.482 -9.248 -5.985 1.00 11.01 H new ATOM 0 HH11 ARG A 34 -7.054 -8.373 -3.549 1.00 64.03 H new ATOM 0 HH12 ARG A 34 -8.227 -7.564 -2.504 1.00 64.03 H new ATOM 0 HH21 ARG A 34 -10.974 -8.201 -4.627 1.00 63.42 H new ATOM 0 HH22 ARG A 34 -10.435 -7.468 -3.113 1.00 63.42 H new ATOM 575 N THR A 35 -5.864 -14.090 -8.048 1.00 2.54 N ATOM 576 CA THR A 35 -4.505 -14.600 -8.014 1.00 20.25 C ATOM 577 C THR A 35 -3.495 -13.443 -7.931 1.00 44.13 C ATOM 578 O THR A 35 -3.879 -12.265 -7.941 1.00 41.21 O ATOM 579 CB THR A 35 -4.211 -15.475 -9.267 1.00 44.12 C ATOM 580 OG1 THR A 35 -2.909 -16.064 -9.173 1.00 63.14 O ATOM 581 CG2 THR A 35 -4.299 -14.648 -10.533 1.00 54.34 C ATOM 0 H THR A 35 -6.306 -14.134 -8.966 1.00 2.54 H new ATOM 0 HA THR A 35 -4.401 -15.222 -7.125 1.00 20.25 H new ATOM 0 HB THR A 35 -4.961 -16.265 -9.307 1.00 44.12 H new ATOM 0 HG1 THR A 35 -2.544 -16.197 -10.073 1.00 63.14 H new ATOM 0 HG21 THR A 35 -4.090 -15.280 -11.396 1.00 54.34 H new ATOM 0 HG22 THR A 35 -5.301 -14.229 -10.625 1.00 54.34 H new ATOM 0 HG23 THR A 35 -3.570 -13.839 -10.491 1.00 54.34 H new ATOM 589 N LYS A 36 -2.213 -13.778 -7.851 1.00 41.43 N ATOM 590 CA LYS A 36 -1.164 -12.774 -7.770 1.00 44.15 C ATOM 591 C LYS A 36 -1.120 -11.962 -9.055 1.00 63.53 C ATOM 592 O LYS A 36 -0.983 -10.743 -9.022 1.00 71.51 O ATOM 593 CB LYS A 36 0.191 -13.434 -7.521 1.00 23.31 C ATOM 594 CG LYS A 36 1.331 -12.451 -7.309 1.00 4.14 C ATOM 595 CD LYS A 36 2.661 -13.173 -7.222 1.00 74.45 C ATOM 596 CE LYS A 36 3.812 -12.209 -7.002 1.00 13.42 C ATOM 597 NZ LYS A 36 5.121 -12.899 -7.077 1.00 2.50 N ATOM 0 H LYS A 36 -1.876 -14.741 -7.841 1.00 41.43 H new ATOM 0 HA LYS A 36 -1.384 -12.108 -6.935 1.00 44.15 H new ATOM 0 HB2 LYS A 36 0.114 -14.078 -6.645 1.00 23.31 H new ATOM 0 HB3 LYS A 36 0.432 -14.076 -8.369 1.00 23.31 H new ATOM 0 HG2 LYS A 36 1.355 -11.734 -8.130 1.00 4.14 H new ATOM 0 HG3 LYS A 36 1.161 -11.883 -6.394 1.00 4.14 H new ATOM 0 HD2 LYS A 36 2.630 -13.895 -6.406 1.00 74.45 H new ATOM 0 HD3 LYS A 36 2.829 -13.737 -8.140 1.00 74.45 H new ATOM 0 HE2 LYS A 36 3.773 -11.418 -7.751 1.00 13.42 H new ATOM 0 HE3 LYS A 36 3.707 -11.731 -6.028 1.00 13.42 H new ATOM 0 HZ1 LYS A 36 5.885 -12.211 -6.922 1.00 2.50 H new ATOM 0 HZ2 LYS A 36 5.167 -13.637 -6.346 1.00 2.50 H new ATOM 0 HZ3 LYS A 36 5.231 -13.334 -8.015 1.00 2.50 H new ATOM 611 N GLU A 37 -1.252 -12.656 -10.181 1.00 13.20 N ATOM 612 CA GLU A 37 -1.259 -12.024 -11.497 1.00 73.04 C ATOM 613 C GLU A 37 -2.346 -10.948 -11.565 1.00 53.43 C ATOM 614 O GLU A 37 -2.097 -9.818 -11.979 1.00 54.21 O ATOM 615 CB GLU A 37 -1.501 -13.070 -12.604 1.00 45.20 C ATOM 616 CG GLU A 37 -0.514 -14.241 -12.625 1.00 74.03 C ATOM 617 CD GLU A 37 -0.762 -15.255 -11.525 1.00 73.22 C ATOM 618 OE1 GLU A 37 -0.030 -15.231 -10.514 1.00 53.31 O ATOM 619 OE2 GLU A 37 -1.694 -16.074 -11.657 1.00 65.45 O ATOM 0 H GLU A 37 -1.357 -13.670 -10.208 1.00 13.20 H new ATOM 0 HA GLU A 37 -0.284 -11.562 -11.654 1.00 73.04 H new ATOM 0 HB2 GLU A 37 -2.509 -13.468 -12.491 1.00 45.20 H new ATOM 0 HB3 GLU A 37 -1.464 -12.567 -13.570 1.00 45.20 H new ATOM 0 HG2 GLU A 37 -0.575 -14.741 -13.591 1.00 74.03 H new ATOM 0 HG3 GLU A 37 0.500 -13.854 -12.530 1.00 74.03 H new ATOM 626 N GLU A 38 -3.548 -11.316 -11.128 1.00 52.44 N ATOM 627 CA GLU A 38 -4.689 -10.410 -11.119 1.00 4.24 C ATOM 628 C GLU A 38 -4.432 -9.202 -10.238 1.00 12.34 C ATOM 629 O GLU A 38 -4.809 -8.086 -10.583 1.00 32.14 O ATOM 630 CB GLU A 38 -5.943 -11.141 -10.643 1.00 70.01 C ATOM 631 CG GLU A 38 -6.523 -12.089 -11.672 1.00 23.54 C ATOM 632 CD GLU A 38 -6.979 -11.363 -12.909 1.00 64.54 C ATOM 633 OE1 GLU A 38 -6.406 -11.606 -13.991 1.00 64.42 O ATOM 634 OE2 GLU A 38 -7.898 -10.530 -12.803 1.00 43.45 O ATOM 0 H GLU A 38 -3.756 -12.249 -10.771 1.00 52.44 H new ATOM 0 HA GLU A 38 -4.841 -10.060 -12.140 1.00 4.24 H new ATOM 0 HB2 GLU A 38 -5.705 -11.702 -9.739 1.00 70.01 H new ATOM 0 HB3 GLU A 38 -6.700 -10.406 -10.372 1.00 70.01 H new ATOM 0 HG2 GLU A 38 -5.774 -12.833 -11.943 1.00 23.54 H new ATOM 0 HG3 GLU A 38 -7.364 -12.628 -11.236 1.00 23.54 H new ATOM 641 N ALA A 39 -3.792 -9.431 -9.103 1.00 63.33 N ATOM 642 CA ALA A 39 -3.487 -8.361 -8.170 1.00 43.45 C ATOM 643 C ALA A 39 -2.414 -7.437 -8.731 1.00 42.51 C ATOM 644 O ALA A 39 -2.523 -6.220 -8.631 1.00 75.52 O ATOM 645 CB ALA A 39 -3.053 -8.933 -6.829 1.00 23.21 C ATOM 0 H ALA A 39 -3.473 -10.353 -8.805 1.00 63.33 H new ATOM 0 HA ALA A 39 -4.392 -7.773 -8.020 1.00 43.45 H new ATOM 0 HB1 ALA A 39 -2.828 -8.118 -6.141 1.00 23.21 H new ATOM 0 HB2 ALA A 39 -3.856 -9.544 -6.417 1.00 23.21 H new ATOM 0 HB3 ALA A 39 -2.163 -9.548 -6.966 1.00 23.21 H new ATOM 651 N LEU A 40 -1.391 -8.027 -9.339 1.00 42.20 N ATOM 652 CA LEU A 40 -0.289 -7.260 -9.910 1.00 41.22 C ATOM 653 C LEU A 40 -0.780 -6.360 -11.040 1.00 62.24 C ATOM 654 O LEU A 40 -0.386 -5.197 -11.137 1.00 24.01 O ATOM 655 CB LEU A 40 0.812 -8.196 -10.416 1.00 61.34 C ATOM 656 CG LEU A 40 2.072 -7.512 -10.955 1.00 51.24 C ATOM 657 CD1 LEU A 40 2.734 -6.673 -9.873 1.00 13.43 C ATOM 658 CD2 LEU A 40 3.046 -8.543 -11.501 1.00 45.45 C ATOM 0 H LEU A 40 -1.301 -9.037 -9.450 1.00 42.20 H new ATOM 0 HA LEU A 40 0.125 -6.628 -9.124 1.00 41.22 H new ATOM 0 HB2 LEU A 40 1.102 -8.859 -9.601 1.00 61.34 H new ATOM 0 HB3 LEU A 40 0.396 -8.823 -11.205 1.00 61.34 H new ATOM 0 HG LEU A 40 1.779 -6.849 -11.769 1.00 51.24 H new ATOM 0 HD11 LEU A 40 3.627 -6.196 -10.278 1.00 13.43 H new ATOM 0 HD12 LEU A 40 2.038 -5.908 -9.529 1.00 13.43 H new ATOM 0 HD13 LEU A 40 3.012 -7.313 -9.036 1.00 13.43 H new ATOM 0 HD21 LEU A 40 3.935 -8.039 -11.880 1.00 45.45 H new ATOM 0 HD22 LEU A 40 3.330 -9.232 -10.706 1.00 45.45 H new ATOM 0 HD23 LEU A 40 2.572 -9.099 -12.310 1.00 45.45 H new ATOM 670 N GLU A 41 -1.642 -6.899 -11.888 1.00 12.11 N ATOM 671 CA GLU A 41 -2.205 -6.128 -12.986 1.00 34.15 C ATOM 672 C GLU A 41 -3.156 -5.066 -12.465 1.00 11.24 C ATOM 673 O GLU A 41 -3.277 -3.987 -13.044 1.00 5.31 O ATOM 674 CB GLU A 41 -2.929 -7.032 -13.966 1.00 23.10 C ATOM 675 CG GLU A 41 -2.022 -7.989 -14.698 1.00 32.42 C ATOM 676 CD GLU A 41 -2.716 -8.645 -15.856 1.00 23.53 C ATOM 677 OE1 GLU A 41 -2.774 -8.030 -16.938 1.00 61.50 O ATOM 678 OE2 GLU A 41 -3.207 -9.781 -15.698 1.00 13.10 O ATOM 0 H GLU A 41 -1.967 -7.865 -11.838 1.00 12.11 H new ATOM 0 HA GLU A 41 -1.381 -5.638 -13.505 1.00 34.15 H new ATOM 0 HB2 GLU A 41 -3.685 -7.603 -13.428 1.00 23.10 H new ATOM 0 HB3 GLU A 41 -3.454 -6.415 -14.695 1.00 23.10 H new ATOM 0 HG2 GLU A 41 -1.144 -7.453 -15.058 1.00 32.42 H new ATOM 0 HG3 GLU A 41 -1.668 -8.754 -14.007 1.00 32.42 H new ATOM 685 N LEU A 42 -3.818 -5.376 -11.366 1.00 33.34 N ATOM 686 CA LEU A 42 -4.750 -4.459 -10.746 1.00 34.23 C ATOM 687 C LEU A 42 -4.017 -3.223 -10.229 1.00 53.42 C ATOM 688 O LEU A 42 -4.578 -2.125 -10.189 1.00 1.41 O ATOM 689 CB LEU A 42 -5.486 -5.162 -9.609 1.00 23.45 C ATOM 690 CG LEU A 42 -6.534 -4.338 -8.878 1.00 24.54 C ATOM 691 CD1 LEU A 42 -7.638 -3.893 -9.829 1.00 44.30 C ATOM 692 CD2 LEU A 42 -7.108 -5.135 -7.724 1.00 32.03 C ATOM 0 H LEU A 42 -3.724 -6.268 -10.881 1.00 33.34 H new ATOM 0 HA LEU A 42 -5.478 -4.135 -11.490 1.00 34.23 H new ATOM 0 HB2 LEU A 42 -5.970 -6.052 -10.012 1.00 23.45 H new ATOM 0 HB3 LEU A 42 -4.749 -5.502 -8.882 1.00 23.45 H new ATOM 0 HG LEU A 42 -6.056 -3.442 -8.481 1.00 24.54 H new ATOM 0 HD11 LEU A 42 -8.375 -3.305 -9.281 1.00 44.30 H new ATOM 0 HD12 LEU A 42 -7.209 -3.286 -10.626 1.00 44.30 H new ATOM 0 HD13 LEU A 42 -8.121 -4.769 -10.261 1.00 44.30 H new ATOM 0 HD21 LEU A 42 -7.858 -4.537 -7.206 1.00 32.03 H new ATOM 0 HD22 LEU A 42 -7.570 -6.046 -8.105 1.00 32.03 H new ATOM 0 HD23 LEU A 42 -6.310 -5.396 -7.030 1.00 32.03 H new ATOM 704 N ILE A 43 -2.753 -3.407 -9.852 1.00 25.44 N ATOM 705 CA ILE A 43 -1.927 -2.306 -9.378 1.00 24.22 C ATOM 706 C ILE A 43 -1.809 -1.236 -10.453 1.00 61.24 C ATOM 707 O ILE A 43 -1.874 -0.040 -10.163 1.00 50.52 O ATOM 708 CB ILE A 43 -0.509 -2.781 -8.967 1.00 61.21 C ATOM 709 CG1 ILE A 43 -0.594 -3.859 -7.881 1.00 40.13 C ATOM 710 CG2 ILE A 43 0.336 -1.607 -8.485 1.00 1.33 C ATOM 711 CD1 ILE A 43 -1.321 -3.416 -6.628 1.00 32.14 C ATOM 0 H ILE A 43 -2.281 -4.311 -9.867 1.00 25.44 H new ATOM 0 HA ILE A 43 -2.415 -1.893 -8.495 1.00 24.22 H new ATOM 0 HB ILE A 43 -0.029 -3.212 -9.845 1.00 61.21 H new ATOM 0 HG12 ILE A 43 -1.098 -4.734 -8.291 1.00 40.13 H new ATOM 0 HG13 ILE A 43 0.416 -4.170 -7.612 1.00 40.13 H new ATOM 0 HG21 ILE A 43 1.326 -1.964 -8.202 1.00 1.33 H new ATOM 0 HG22 ILE A 43 0.430 -0.873 -9.286 1.00 1.33 H new ATOM 0 HG23 ILE A 43 -0.143 -1.144 -7.622 1.00 1.33 H new ATOM 0 HD11 ILE A 43 -1.338 -4.235 -5.909 1.00 32.14 H new ATOM 0 HD12 ILE A 43 -0.806 -2.560 -6.192 1.00 32.14 H new ATOM 0 HD13 ILE A 43 -2.343 -3.134 -6.881 1.00 32.14 H new ATOM 723 N ASN A 44 -1.658 -1.677 -11.702 1.00 71.11 N ATOM 724 CA ASN A 44 -1.558 -0.762 -12.839 1.00 70.32 C ATOM 725 C ASN A 44 -2.788 0.120 -12.909 1.00 2.45 C ATOM 726 O ASN A 44 -2.690 1.324 -13.155 1.00 20.44 O ATOM 727 CB ASN A 44 -1.410 -1.530 -14.163 1.00 2.13 C ATOM 728 CG ASN A 44 -0.124 -2.333 -14.263 1.00 72.25 C ATOM 729 OD1 ASN A 44 0.390 -2.849 -13.269 1.00 33.44 O ATOM 730 ND2 ASN A 44 0.405 -2.440 -15.463 1.00 50.01 N ATOM 0 H ASN A 44 -1.602 -2.664 -11.952 1.00 71.11 H new ATOM 0 HA ASN A 44 -0.670 -0.147 -12.692 1.00 70.32 H new ATOM 0 HB2 ASN A 44 -2.259 -2.204 -14.279 1.00 2.13 H new ATOM 0 HB3 ASN A 44 -1.451 -0.821 -14.990 1.00 2.13 H new ATOM 0 HD21 ASN A 44 1.270 -2.964 -15.594 1.00 50.01 H new ATOM 0 HD22 ASN A 44 -0.050 -1.999 -16.262 1.00 50.01 H new ATOM 737 N GLY A 45 -3.946 -0.488 -12.661 1.00 71.23 N ATOM 738 CA GLY A 45 -5.197 0.237 -12.687 1.00 62.33 C ATOM 739 C GLY A 45 -5.229 1.355 -11.669 1.00 51.32 C ATOM 740 O GLY A 45 -5.762 2.431 -11.936 1.00 73.31 O ATOM 0 H GLY A 45 -4.035 -1.480 -12.441 1.00 71.23 H new ATOM 0 HA2 GLY A 45 -5.355 0.650 -13.683 1.00 62.33 H new ATOM 0 HA3 GLY A 45 -6.019 -0.452 -12.493 1.00 62.33 H new ATOM 744 N TYR A 46 -4.655 1.105 -10.501 1.00 73.32 N ATOM 745 CA TYR A 46 -4.592 2.117 -9.460 1.00 41.45 C ATOM 746 C TYR A 46 -3.607 3.208 -9.850 1.00 21.11 C ATOM 747 O TYR A 46 -3.930 4.393 -9.799 1.00 12.21 O ATOM 748 CB TYR A 46 -4.172 1.510 -8.116 1.00 61.31 C ATOM 749 CG TYR A 46 -5.133 0.487 -7.547 1.00 12.21 C ATOM 750 CD1 TYR A 46 -4.683 -0.770 -7.170 1.00 24.21 C ATOM 751 CD2 TYR A 46 -6.480 0.779 -7.377 1.00 4.55 C ATOM 752 CE1 TYR A 46 -5.542 -1.708 -6.637 1.00 41.21 C ATOM 753 CE2 TYR A 46 -7.349 -0.157 -6.846 1.00 31.53 C ATOM 754 CZ TYR A 46 -6.872 -1.397 -6.477 1.00 74.24 C ATOM 755 OH TYR A 46 -7.728 -2.332 -5.936 1.00 31.03 O ATOM 0 H TYR A 46 -4.228 0.213 -10.252 1.00 73.32 H new ATOM 0 HA TYR A 46 -5.589 2.543 -9.351 1.00 41.45 H new ATOM 0 HB2 TYR A 46 -3.195 1.041 -8.236 1.00 61.31 H new ATOM 0 HB3 TYR A 46 -4.052 2.316 -7.392 1.00 61.31 H new ATOM 0 HD1 TYR A 46 -3.640 -1.019 -7.296 1.00 24.21 H new ATOM 0 HD2 TYR A 46 -6.854 1.751 -7.663 1.00 4.55 H new ATOM 0 HE1 TYR A 46 -5.173 -2.681 -6.347 1.00 41.21 H new ATOM 0 HE2 TYR A 46 -8.395 0.082 -6.721 1.00 31.53 H new ATOM 0 HH TYR A 46 -8.644 -1.983 -5.947 1.00 31.03 H new ATOM 765 N ILE A 47 -2.407 2.789 -10.261 1.00 14.42 N ATOM 766 CA ILE A 47 -1.335 3.714 -10.637 1.00 41.03 C ATOM 767 C ILE A 47 -1.798 4.719 -11.695 1.00 11.12 C ATOM 768 O ILE A 47 -1.530 5.918 -11.581 1.00 12.12 O ATOM 769 CB ILE A 47 -0.084 2.953 -11.156 1.00 1.14 C ATOM 770 CG1 ILE A 47 0.475 2.038 -10.061 1.00 54.51 C ATOM 771 CG2 ILE A 47 0.987 3.931 -11.627 1.00 2.13 C ATOM 772 CD1 ILE A 47 1.674 1.221 -10.499 1.00 54.43 C ATOM 0 H ILE A 47 -2.152 1.805 -10.342 1.00 14.42 H new ATOM 0 HA ILE A 47 -1.066 4.261 -9.733 1.00 41.03 H new ATOM 0 HB ILE A 47 -0.385 2.340 -12.005 1.00 1.14 H new ATOM 0 HG12 ILE A 47 0.756 2.646 -9.201 1.00 54.51 H new ATOM 0 HG13 ILE A 47 -0.312 1.361 -9.729 1.00 54.51 H new ATOM 0 HG21 ILE A 47 1.854 3.376 -11.986 1.00 2.13 H new ATOM 0 HG22 ILE A 47 0.589 4.545 -12.435 1.00 2.13 H new ATOM 0 HG23 ILE A 47 1.285 4.572 -10.797 1.00 2.13 H new ATOM 0 HD11 ILE A 47 2.013 0.599 -9.671 1.00 54.43 H new ATOM 0 HD12 ILE A 47 1.394 0.586 -11.339 1.00 54.43 H new ATOM 0 HD13 ILE A 47 2.479 1.890 -10.803 1.00 54.43 H new ATOM 784 N GLN A 48 -2.505 4.232 -12.710 1.00 60.31 N ATOM 785 CA GLN A 48 -2.999 5.099 -13.776 1.00 74.44 C ATOM 786 C GLN A 48 -3.947 6.159 -13.227 1.00 62.41 C ATOM 787 O GLN A 48 -3.871 7.330 -13.604 1.00 43.44 O ATOM 788 CB GLN A 48 -3.693 4.284 -14.867 1.00 22.43 C ATOM 789 CG GLN A 48 -2.766 3.328 -15.600 1.00 11.21 C ATOM 790 CD GLN A 48 -1.555 4.027 -16.183 1.00 52.43 C ATOM 791 OE1 GLN A 48 -0.510 4.131 -15.536 1.00 63.12 O ATOM 792 NE2 GLN A 48 -1.683 4.512 -17.397 1.00 51.43 N ATOM 0 H GLN A 48 -2.748 3.247 -12.817 1.00 60.31 H new ATOM 0 HA GLN A 48 -2.138 5.603 -14.215 1.00 74.44 H new ATOM 0 HB2 GLN A 48 -4.508 3.714 -14.420 1.00 22.43 H new ATOM 0 HB3 GLN A 48 -4.140 4.967 -15.589 1.00 22.43 H new ATOM 0 HG2 GLN A 48 -2.436 2.549 -14.913 1.00 11.21 H new ATOM 0 HG3 GLN A 48 -3.317 2.835 -16.401 1.00 11.21 H new ATOM 0 HE21 GLN A 48 -2.565 4.405 -17.899 1.00 51.43 H new ATOM 0 HE22 GLN A 48 -0.901 4.996 -17.838 1.00 51.43 H new ATOM 801 N LYS A 49 -4.822 5.750 -12.320 1.00 74.15 N ATOM 802 CA LYS A 49 -5.776 6.668 -11.714 1.00 4.23 C ATOM 803 C LYS A 49 -5.061 7.705 -10.857 1.00 63.21 C ATOM 804 O LYS A 49 -5.454 8.871 -10.819 1.00 23.12 O ATOM 805 CB LYS A 49 -6.804 5.905 -10.872 1.00 15.02 C ATOM 806 CG LYS A 49 -7.666 4.950 -11.679 1.00 45.44 C ATOM 807 CD LYS A 49 -8.649 4.201 -10.795 1.00 12.15 C ATOM 808 CE LYS A 49 -9.480 3.214 -11.603 1.00 21.44 C ATOM 809 NZ LYS A 49 -8.639 2.169 -12.244 1.00 14.15 N ATOM 0 H LYS A 49 -4.891 4.788 -11.987 1.00 74.15 H new ATOM 0 HA LYS A 49 -6.300 7.185 -12.518 1.00 4.23 H new ATOM 0 HB2 LYS A 49 -6.281 5.343 -10.098 1.00 15.02 H new ATOM 0 HB3 LYS A 49 -7.449 6.622 -10.364 1.00 15.02 H new ATOM 0 HG2 LYS A 49 -8.212 5.507 -12.441 1.00 45.44 H new ATOM 0 HG3 LYS A 49 -7.029 4.236 -12.201 1.00 45.44 H new ATOM 0 HD2 LYS A 49 -8.106 3.669 -10.014 1.00 12.15 H new ATOM 0 HD3 LYS A 49 -9.308 4.912 -10.297 1.00 12.15 H new ATOM 0 HE2 LYS A 49 -10.213 2.739 -10.951 1.00 21.44 H new ATOM 0 HE3 LYS A 49 -10.037 3.752 -12.370 1.00 21.44 H new ATOM 0 HZ1 LYS A 49 -8.665 2.288 -13.277 1.00 14.15 H new ATOM 0 HZ2 LYS A 49 -7.658 2.259 -11.910 1.00 14.15 H new ATOM 0 HZ3 LYS A 49 -9.005 1.228 -11.995 1.00 14.15 H new ATOM 823 N ILE A 50 -4.007 7.275 -10.184 1.00 41.34 N ATOM 824 CA ILE A 50 -3.226 8.154 -9.321 1.00 24.20 C ATOM 825 C ILE A 50 -2.442 9.181 -10.145 1.00 54.14 C ATOM 826 O ILE A 50 -2.443 10.375 -9.833 1.00 14.24 O ATOM 827 CB ILE A 50 -2.237 7.346 -8.443 1.00 32.32 C ATOM 828 CG1 ILE A 50 -2.996 6.324 -7.593 1.00 74.02 C ATOM 829 CG2 ILE A 50 -1.422 8.282 -7.550 1.00 1.00 C ATOM 830 CD1 ILE A 50 -2.098 5.325 -6.894 1.00 43.33 C ATOM 0 H ILE A 50 -3.668 6.314 -10.218 1.00 41.34 H new ATOM 0 HA ILE A 50 -3.932 8.675 -8.674 1.00 24.20 H new ATOM 0 HB ILE A 50 -1.549 6.813 -9.099 1.00 32.32 H new ATOM 0 HG12 ILE A 50 -3.586 6.854 -6.845 1.00 74.02 H new ATOM 0 HG13 ILE A 50 -3.698 5.785 -8.230 1.00 74.02 H new ATOM 0 HG21 ILE A 50 -0.733 7.696 -6.941 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.856 8.976 -8.171 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -2.095 8.842 -6.900 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -2.707 4.634 -6.311 1.00 43.33 H new ATOM 0 HD12 ILE A 50 -1.526 4.768 -7.636 1.00 43.33 H new ATOM 0 HD13 ILE A 50 -1.413 5.853 -6.230 1.00 43.33 H new ATOM 842 N LYS A 51 -1.784 8.718 -11.198 1.00 34.14 N ATOM 843 CA LYS A 51 -0.979 9.599 -12.040 1.00 44.10 C ATOM 844 C LYS A 51 -1.849 10.575 -12.823 1.00 42.14 C ATOM 845 O LYS A 51 -1.525 11.754 -12.927 1.00 12.24 O ATOM 846 CB LYS A 51 -0.105 8.798 -12.999 1.00 12.02 C ATOM 847 CG LYS A 51 0.915 7.900 -12.316 1.00 2.20 C ATOM 848 CD LYS A 51 1.898 7.313 -13.320 1.00 20.43 C ATOM 849 CE LYS A 51 1.184 6.562 -14.435 1.00 31.42 C ATOM 850 NZ LYS A 51 2.133 6.013 -15.430 1.00 25.21 N ATOM 0 H LYS A 51 -1.790 7.741 -11.491 1.00 34.14 H new ATOM 0 HA LYS A 51 -0.334 10.173 -11.375 1.00 44.10 H new ATOM 0 HB2 LYS A 51 -0.747 8.184 -13.630 1.00 12.02 H new ATOM 0 HB3 LYS A 51 0.421 9.490 -13.657 1.00 12.02 H new ATOM 0 HG2 LYS A 51 1.459 8.471 -11.563 1.00 2.20 H new ATOM 0 HG3 LYS A 51 0.400 7.093 -11.794 1.00 2.20 H new ATOM 0 HD2 LYS A 51 2.501 8.113 -13.749 1.00 20.43 H new ATOM 0 HD3 LYS A 51 2.582 6.638 -12.807 1.00 20.43 H new ATOM 0 HE2 LYS A 51 0.597 5.749 -14.007 1.00 31.42 H new ATOM 0 HE3 LYS A 51 0.484 7.233 -14.933 1.00 31.42 H new ATOM 0 HZ1 LYS A 51 1.606 5.509 -16.172 1.00 25.21 H new ATOM 0 HZ2 LYS A 51 2.676 6.790 -15.858 1.00 25.21 H new ATOM 0 HZ3 LYS A 51 2.785 5.353 -14.960 1.00 25.21 H new ATOM 864 N SER A 52 -2.953 10.083 -13.366 1.00 34.13 N ATOM 865 CA SER A 52 -3.848 10.919 -14.148 1.00 55.14 C ATOM 866 C SER A 52 -4.617 11.890 -13.251 1.00 40.43 C ATOM 867 O SER A 52 -5.004 12.978 -13.683 1.00 44.33 O ATOM 868 CB SER A 52 -4.820 10.045 -14.958 1.00 33.54 C ATOM 869 OG SER A 52 -5.711 10.832 -15.743 1.00 24.25 O ATOM 0 H SER A 52 -3.249 9.111 -13.279 1.00 34.13 H new ATOM 0 HA SER A 52 -3.247 11.508 -14.841 1.00 55.14 H new ATOM 0 HB2 SER A 52 -4.254 9.379 -15.609 1.00 33.54 H new ATOM 0 HB3 SER A 52 -5.394 9.415 -14.279 1.00 33.54 H new ATOM 0 HG SER A 52 -6.435 11.171 -15.176 1.00 24.25 H new ATOM 875 N GLY A 53 -4.811 11.506 -12.000 1.00 43.24 N ATOM 876 CA GLY A 53 -5.545 12.346 -11.083 1.00 13.43 C ATOM 877 C GLY A 53 -7.026 12.072 -11.145 1.00 61.41 C ATOM 878 O GLY A 53 -7.846 12.977 -10.984 1.00 33.24 O ATOM 0 H GLY A 53 -4.473 10.628 -11.605 1.00 43.24 H new ATOM 0 HA2 GLY A 53 -5.185 12.179 -10.068 1.00 13.43 H new ATOM 0 HA3 GLY A 53 -5.358 13.394 -11.319 1.00 13.43 H new ATOM 882 N GLU A 54 -7.370 10.820 -11.387 1.00 14.45 N ATOM 883 CA GLU A 54 -8.758 10.408 -11.471 1.00 2.52 C ATOM 884 C GLU A 54 -9.342 10.318 -10.073 1.00 42.31 C ATOM 885 O GLU A 54 -10.193 11.116 -9.683 1.00 1.34 O ATOM 886 CB GLU A 54 -8.867 9.045 -12.163 1.00 22.34 C ATOM 887 CG GLU A 54 -8.115 8.948 -13.480 1.00 62.32 C ATOM 888 CD GLU A 54 -8.638 9.897 -14.530 1.00 23.35 C ATOM 889 OE1 GLU A 54 -8.109 11.025 -14.639 1.00 24.55 O ATOM 890 OE2 GLU A 54 -9.567 9.518 -15.263 1.00 72.50 O ATOM 0 H GLU A 54 -6.699 10.065 -11.530 1.00 14.45 H new ATOM 0 HA GLU A 54 -9.312 11.143 -12.054 1.00 2.52 H new ATOM 0 HB2 GLU A 54 -8.492 8.277 -11.487 1.00 22.34 H new ATOM 0 HB3 GLU A 54 -9.919 8.825 -12.342 1.00 22.34 H new ATOM 0 HG2 GLU A 54 -7.059 9.155 -13.305 1.00 62.32 H new ATOM 0 HG3 GLU A 54 -8.182 7.927 -13.856 1.00 62.32 H new ATOM 897 N GLU A 55 -8.849 9.361 -9.319 1.00 51.33 N ATOM 898 CA GLU A 55 -9.295 9.139 -7.963 1.00 41.21 C ATOM 899 C GLU A 55 -8.212 9.561 -6.992 1.00 74.44 C ATOM 900 O GLU A 55 -7.028 9.571 -7.337 1.00 25.14 O ATOM 901 CB GLU A 55 -9.636 7.666 -7.761 1.00 51.02 C ATOM 902 CG GLU A 55 -10.812 7.181 -8.594 1.00 75.34 C ATOM 903 CD GLU A 55 -12.113 7.841 -8.197 1.00 53.54 C ATOM 904 OE1 GLU A 55 -12.581 8.735 -8.927 1.00 23.22 O ATOM 905 OE2 GLU A 55 -12.671 7.472 -7.146 1.00 33.02 O ATOM 0 H GLU A 55 -8.125 8.713 -9.631 1.00 51.33 H new ATOM 0 HA GLU A 55 -10.189 9.735 -7.779 1.00 41.21 H new ATOM 0 HB2 GLU A 55 -8.760 7.065 -8.004 1.00 51.02 H new ATOM 0 HB3 GLU A 55 -9.857 7.496 -6.707 1.00 51.02 H new ATOM 0 HG2 GLU A 55 -10.614 7.380 -9.647 1.00 75.34 H new ATOM 0 HG3 GLU A 55 -10.909 6.101 -8.486 1.00 75.34 H new ATOM 912 N ASP A 56 -8.610 9.914 -5.790 1.00 14.33 N ATOM 913 CA ASP A 56 -7.665 10.337 -4.766 1.00 35.44 C ATOM 914 C ASP A 56 -7.048 9.121 -4.108 1.00 2.53 C ATOM 915 O ASP A 56 -7.740 8.135 -3.858 1.00 32.05 O ATOM 916 CB ASP A 56 -8.364 11.205 -3.714 1.00 41.24 C ATOM 917 CG ASP A 56 -8.927 12.487 -4.294 1.00 30.52 C ATOM 918 OD1 ASP A 56 -8.245 13.528 -4.212 1.00 15.14 O ATOM 919 OD2 ASP A 56 -10.061 12.459 -4.835 1.00 12.23 O ATOM 0 H ASP A 56 -9.585 9.918 -5.491 1.00 14.33 H new ATOM 0 HA ASP A 56 -6.880 10.930 -5.236 1.00 35.44 H new ATOM 0 HB2 ASP A 56 -9.171 10.634 -3.255 1.00 41.24 H new ATOM 0 HB3 ASP A 56 -7.656 11.449 -2.922 1.00 41.24 H new ATOM 924 N PHE A 57 -5.750 9.183 -3.821 1.00 54.21 N ATOM 925 CA PHE A 57 -5.056 8.049 -3.217 1.00 23.25 C ATOM 926 C PHE A 57 -5.668 7.692 -1.871 1.00 74.33 C ATOM 927 O PHE A 57 -5.911 6.521 -1.592 1.00 32.33 O ATOM 928 CB PHE A 57 -3.555 8.316 -3.063 1.00 53.52 C ATOM 929 CG PHE A 57 -2.785 7.103 -2.613 1.00 31.24 C ATOM 930 CD1 PHE A 57 -2.468 6.915 -1.278 1.00 23.31 C ATOM 931 CD2 PHE A 57 -2.392 6.145 -3.529 1.00 32.33 C ATOM 932 CE1 PHE A 57 -1.773 5.792 -0.869 1.00 53.44 C ATOM 933 CE2 PHE A 57 -1.696 5.024 -3.126 1.00 64.10 C ATOM 934 CZ PHE A 57 -1.387 4.847 -1.795 1.00 55.41 C ATOM 0 H PHE A 57 -5.162 9.998 -3.995 1.00 54.21 H new ATOM 0 HA PHE A 57 -5.177 7.202 -3.893 1.00 23.25 H new ATOM 0 HB2 PHE A 57 -3.153 8.662 -4.016 1.00 53.52 H new ATOM 0 HB3 PHE A 57 -3.407 9.121 -2.343 1.00 53.52 H new ATOM 0 HD1 PHE A 57 -2.767 7.653 -0.549 1.00 23.31 H new ATOM 0 HD2 PHE A 57 -2.633 6.276 -4.574 1.00 32.33 H new ATOM 0 HE1 PHE A 57 -1.533 5.655 0.175 1.00 53.44 H new ATOM 0 HE2 PHE A 57 -1.393 4.285 -3.854 1.00 64.10 H new ATOM 0 HZ PHE A 57 -0.843 3.969 -1.478 1.00 55.41 H new ATOM 944 N GLU A 58 -5.922 8.706 -1.043 1.00 73.32 N ATOM 945 CA GLU A 58 -6.549 8.486 0.259 1.00 40.31 C ATOM 946 C GLU A 58 -7.885 7.776 0.094 1.00 2.11 C ATOM 947 O GLU A 58 -8.242 6.908 0.882 1.00 44.42 O ATOM 948 CB GLU A 58 -6.757 9.807 0.995 1.00 10.32 C ATOM 949 CG GLU A 58 -5.474 10.493 1.426 1.00 13.14 C ATOM 950 CD GLU A 58 -5.743 11.765 2.197 1.00 23.41 C ATOM 951 OE1 GLU A 58 -5.573 12.865 1.624 1.00 33.44 O ATOM 952 OE2 GLU A 58 -6.148 11.676 3.368 1.00 72.01 O ATOM 0 H GLU A 58 -5.705 9.681 -1.249 1.00 73.32 H new ATOM 0 HA GLU A 58 -5.881 7.859 0.849 1.00 40.31 H new ATOM 0 HB2 GLU A 58 -7.318 10.484 0.350 1.00 10.32 H new ATOM 0 HB3 GLU A 58 -7.371 9.625 1.877 1.00 10.32 H new ATOM 0 HG2 GLU A 58 -4.889 9.812 2.044 1.00 13.14 H new ATOM 0 HG3 GLU A 58 -4.873 10.723 0.546 1.00 13.14 H new ATOM 959 N SER A 59 -8.607 8.141 -0.952 1.00 44.23 N ATOM 960 CA SER A 59 -9.891 7.543 -1.239 1.00 61.03 C ATOM 961 C SER A 59 -9.706 6.085 -1.671 1.00 33.44 C ATOM 962 O SER A 59 -10.371 5.187 -1.157 1.00 23.44 O ATOM 963 CB SER A 59 -10.601 8.345 -2.331 1.00 30.15 C ATOM 964 OG SER A 59 -11.932 7.905 -2.522 1.00 62.51 O ATOM 0 H SER A 59 -8.318 8.856 -1.620 1.00 44.23 H new ATOM 0 HA SER A 59 -10.506 7.558 -0.339 1.00 61.03 H new ATOM 0 HB2 SER A 59 -10.602 9.402 -2.064 1.00 30.15 H new ATOM 0 HB3 SER A 59 -10.050 8.253 -3.267 1.00 30.15 H new ATOM 0 HG SER A 59 -12.356 8.440 -3.225 1.00 62.51 H new ATOM 970 N LEU A 60 -8.776 5.857 -2.598 1.00 74.41 N ATOM 971 CA LEU A 60 -8.483 4.513 -3.085 1.00 25.11 C ATOM 972 C LEU A 60 -8.045 3.607 -1.943 1.00 4.03 C ATOM 973 O LEU A 60 -8.496 2.467 -1.831 1.00 54.43 O ATOM 974 CB LEU A 60 -7.392 4.554 -4.162 1.00 12.34 C ATOM 975 CG LEU A 60 -7.753 5.282 -5.457 1.00 20.41 C ATOM 976 CD1 LEU A 60 -6.552 5.340 -6.389 1.00 2.12 C ATOM 977 CD2 LEU A 60 -8.926 4.599 -6.144 1.00 2.10 C ATOM 0 H LEU A 60 -8.212 6.590 -3.027 1.00 74.41 H new ATOM 0 HA LEU A 60 -9.397 4.110 -3.522 1.00 25.11 H new ATOM 0 HB2 LEU A 60 -6.508 5.028 -3.737 1.00 12.34 H new ATOM 0 HB3 LEU A 60 -7.116 3.529 -4.410 1.00 12.34 H new ATOM 0 HG LEU A 60 -8.046 6.302 -5.207 1.00 20.41 H new ATOM 0 HD11 LEU A 60 -6.828 5.862 -7.306 1.00 2.12 H new ATOM 0 HD12 LEU A 60 -5.737 5.873 -5.899 1.00 2.12 H new ATOM 0 HD13 LEU A 60 -6.230 4.327 -6.631 1.00 2.12 H new ATOM 0 HD21 LEU A 60 -9.169 5.131 -7.064 1.00 2.10 H new ATOM 0 HD22 LEU A 60 -8.660 3.569 -6.380 1.00 2.10 H new ATOM 0 HD23 LEU A 60 -9.791 4.607 -5.481 1.00 2.10 H new ATOM 989 N ALA A 61 -7.185 4.135 -1.083 1.00 23.21 N ATOM 990 CA ALA A 61 -6.667 3.391 0.057 1.00 65.04 C ATOM 991 C ALA A 61 -7.767 3.055 1.061 1.00 35.51 C ATOM 992 O ALA A 61 -7.588 2.202 1.921 1.00 0.11 O ATOM 993 CB ALA A 61 -5.549 4.170 0.734 1.00 24.13 C ATOM 0 H ALA A 61 -6.828 5.088 -1.155 1.00 23.21 H new ATOM 0 HA ALA A 61 -6.267 2.449 -0.318 1.00 65.04 H new ATOM 0 HB1 ALA A 61 -5.172 3.601 1.584 1.00 24.13 H new ATOM 0 HB2 ALA A 61 -4.740 4.338 0.023 1.00 24.13 H new ATOM 0 HB3 ALA A 61 -5.932 5.130 1.081 1.00 24.13 H new ATOM 999 N SER A 62 -8.894 3.725 0.947 1.00 63.12 N ATOM 1000 CA SER A 62 -10.007 3.488 1.845 1.00 61.33 C ATOM 1001 C SER A 62 -11.043 2.561 1.214 1.00 73.21 C ATOM 1002 O SER A 62 -11.775 1.866 1.913 1.00 54.10 O ATOM 1003 CB SER A 62 -10.663 4.812 2.214 1.00 10.31 C ATOM 1004 OG SER A 62 -9.708 5.720 2.717 1.00 24.32 O ATOM 0 H SER A 62 -9.065 4.440 0.240 1.00 63.12 H new ATOM 0 HA SER A 62 -9.619 3.005 2.742 1.00 61.33 H new ATOM 0 HB2 SER A 62 -11.151 5.238 1.337 1.00 10.31 H new ATOM 0 HB3 SER A 62 -11.439 4.643 2.960 1.00 10.31 H new ATOM 0 HG SER A 62 -9.056 5.931 2.016 1.00 24.32 H new ATOM 1010 N GLN A 63 -11.086 2.540 -0.104 1.00 13.34 N ATOM 1011 CA GLN A 63 -12.098 1.775 -0.817 1.00 11.13 C ATOM 1012 C GLN A 63 -11.568 0.444 -1.344 1.00 34.35 C ATOM 1013 O GLN A 63 -12.333 -0.502 -1.524 1.00 54.43 O ATOM 1014 CB GLN A 63 -12.643 2.602 -1.979 1.00 4.45 C ATOM 1015 CG GLN A 63 -13.238 3.939 -1.560 1.00 2.00 C ATOM 1016 CD GLN A 63 -13.660 4.797 -2.741 1.00 14.11 C ATOM 1017 OE1 GLN A 63 -12.969 4.651 -3.859 1.00 52.10 O flip ATOM 1018 NE2 GLN A 63 -14.599 5.593 -2.643 1.00 51.15 N flip ATOM 0 H GLN A 63 -10.433 3.043 -0.705 1.00 13.34 H new ATOM 0 HA GLN A 63 -12.891 1.549 -0.104 1.00 11.13 H new ATOM 0 HB2 GLN A 63 -11.839 2.781 -2.693 1.00 4.45 H new ATOM 0 HB3 GLN A 63 -13.407 2.022 -2.498 1.00 4.45 H new ATOM 0 HG2 GLN A 63 -14.102 3.761 -0.920 1.00 2.00 H new ATOM 0 HG3 GLN A 63 -12.507 4.485 -0.964 1.00 2.00 H new ATOM 0 HE21 GLN A 63 -15.107 5.676 -1.763 1.00 51.15 H new ATOM 0 HE22 GLN A 63 -14.866 6.167 -3.442 1.00 51.15 H new ATOM 1027 N PHE A 64 -10.271 0.364 -1.595 1.00 11.51 N ATOM 1028 CA PHE A 64 -9.707 -0.840 -2.194 1.00 42.24 C ATOM 1029 C PHE A 64 -8.712 -1.559 -1.289 1.00 10.51 C ATOM 1030 O PHE A 64 -8.092 -2.536 -1.704 1.00 43.11 O ATOM 1031 CB PHE A 64 -9.068 -0.512 -3.540 1.00 13.24 C ATOM 1032 CG PHE A 64 -10.051 -0.001 -4.555 1.00 0.22 C ATOM 1033 CD1 PHE A 64 -10.815 -0.882 -5.304 1.00 75.00 C ATOM 1034 CD2 PHE A 64 -10.215 1.358 -4.757 1.00 12.02 C ATOM 1035 CE1 PHE A 64 -11.722 -0.416 -6.234 1.00 30.54 C ATOM 1036 CE2 PHE A 64 -11.121 1.830 -5.686 1.00 72.43 C ATOM 1037 CZ PHE A 64 -11.876 0.942 -6.424 1.00 74.11 C ATOM 0 H PHE A 64 -9.597 1.104 -1.398 1.00 11.51 H new ATOM 0 HA PHE A 64 -10.537 -1.530 -2.342 1.00 42.24 H new ATOM 0 HB2 PHE A 64 -8.288 0.235 -3.392 1.00 13.24 H new ATOM 0 HB3 PHE A 64 -8.583 -1.406 -3.932 1.00 13.24 H new ATOM 0 HD1 PHE A 64 -10.699 -1.946 -5.158 1.00 75.00 H new ATOM 0 HD2 PHE A 64 -9.627 2.058 -4.181 1.00 12.02 H new ATOM 0 HE1 PHE A 64 -12.310 -1.113 -6.812 1.00 30.54 H new ATOM 0 HE2 PHE A 64 -11.238 2.893 -5.835 1.00 72.43 H new ATOM 0 HZ PHE A 64 -12.587 1.309 -7.150 1.00 74.11 H new ATOM 1047 N SER A 65 -8.552 -1.091 -0.066 1.00 1.20 N ATOM 1048 CA SER A 65 -7.668 -1.769 0.867 1.00 75.21 C ATOM 1049 C SER A 65 -8.419 -2.864 1.602 1.00 60.12 C ATOM 1050 O SER A 65 -9.421 -2.605 2.273 1.00 64.43 O ATOM 1051 CB SER A 65 -7.038 -0.797 1.859 1.00 13.03 C ATOM 1052 OG SER A 65 -6.123 0.069 1.217 1.00 11.45 O ATOM 0 H SER A 65 -9.013 -0.259 0.302 1.00 1.20 H new ATOM 0 HA SER A 65 -6.859 -2.217 0.290 1.00 75.21 H new ATOM 0 HB2 SER A 65 -7.819 -0.211 2.343 1.00 13.03 H new ATOM 0 HB3 SER A 65 -6.526 -1.355 2.643 1.00 13.03 H new ATOM 0 HG SER A 65 -6.334 0.998 1.448 1.00 11.45 H new ATOM 1058 N ASP A 66 -7.923 -4.076 1.482 1.00 73.24 N ATOM 1059 CA ASP A 66 -8.548 -5.246 2.085 1.00 53.24 C ATOM 1060 C ASP A 66 -8.136 -5.418 3.547 1.00 62.11 C ATOM 1061 O ASP A 66 -8.037 -6.542 4.049 1.00 11.45 O ATOM 1062 CB ASP A 66 -8.189 -6.506 1.284 1.00 62.03 C ATOM 1063 CG ASP A 66 -8.927 -6.591 -0.035 1.00 23.04 C ATOM 1064 OD1 ASP A 66 -10.175 -6.575 -0.020 1.00 23.35 O ATOM 1065 OD2 ASP A 66 -8.265 -6.687 -1.096 1.00 32.44 O ATOM 0 H ASP A 66 -7.071 -4.285 0.962 1.00 73.24 H new ATOM 0 HA ASP A 66 -9.627 -5.095 2.061 1.00 53.24 H new ATOM 0 HB2 ASP A 66 -7.115 -6.518 1.096 1.00 62.03 H new ATOM 0 HB3 ASP A 66 -8.418 -7.389 1.881 1.00 62.03 H new ATOM 1070 N CYS A 67 -7.928 -4.309 4.235 1.00 30.24 N ATOM 1071 CA CYS A 67 -7.530 -4.347 5.628 1.00 10.13 C ATOM 1072 C CYS A 67 -8.038 -3.105 6.364 1.00 21.55 C ATOM 1073 O CYS A 67 -8.626 -2.207 5.752 1.00 44.43 O ATOM 1074 CB CYS A 67 -6.007 -4.466 5.742 1.00 52.14 C ATOM 1075 SG CYS A 67 -5.409 -4.906 7.393 1.00 41.52 S ATOM 0 H CYS A 67 -8.029 -3.370 3.849 1.00 30.24 H new ATOM 0 HA CYS A 67 -7.977 -5.224 6.096 1.00 10.13 H new ATOM 0 HB2 CYS A 67 -5.660 -5.217 5.032 1.00 52.14 H new ATOM 0 HB3 CYS A 67 -5.558 -3.517 5.448 1.00 52.14 H new ATOM 0 HG CYS A 67 -4.111 -4.982 7.378 1.00 41.52 H new ATOM 1081 N SER A 68 -7.784 -3.047 7.668 1.00 61.42 N ATOM 1082 CA SER A 68 -8.253 -1.957 8.517 1.00 34.42 C ATOM 1083 C SER A 68 -7.570 -0.623 8.180 1.00 44.24 C ATOM 1084 O SER A 68 -8.002 0.435 8.639 1.00 52.32 O ATOM 1085 CB SER A 68 -8.028 -2.315 9.985 1.00 63.11 C ATOM 1086 OG SER A 68 -8.614 -3.573 10.291 1.00 45.25 O ATOM 0 H SER A 68 -7.246 -3.756 8.166 1.00 61.42 H new ATOM 0 HA SER A 68 -9.319 -1.825 8.331 1.00 34.42 H new ATOM 0 HB2 SER A 68 -6.959 -2.345 10.197 1.00 63.11 H new ATOM 0 HB3 SER A 68 -8.458 -1.543 10.623 1.00 63.11 H new ATOM 0 HG SER A 68 -8.458 -3.786 11.235 1.00 45.25 H new ATOM 1092 N SER A 69 -6.512 -0.682 7.381 1.00 3.54 N ATOM 1093 CA SER A 69 -5.801 0.516 6.951 1.00 62.50 C ATOM 1094 C SER A 69 -6.733 1.420 6.139 1.00 23.25 C ATOM 1095 O SER A 69 -6.530 2.635 6.058 1.00 54.13 O ATOM 1096 CB SER A 69 -4.560 0.131 6.127 1.00 15.11 C ATOM 1097 OG SER A 69 -3.760 1.264 5.823 1.00 32.24 O ATOM 0 H SER A 69 -6.125 -1.552 7.016 1.00 3.54 H new ATOM 0 HA SER A 69 -5.470 1.066 7.832 1.00 62.50 H new ATOM 0 HB2 SER A 69 -3.966 -0.596 6.681 1.00 15.11 H new ATOM 0 HB3 SER A 69 -4.873 -0.352 5.202 1.00 15.11 H new ATOM 0 HG SER A 69 -3.179 1.059 5.061 1.00 32.24 H new ATOM 1103 N ALA A 70 -7.772 0.813 5.564 1.00 62.33 N ATOM 1104 CA ALA A 70 -8.758 1.537 4.780 1.00 25.33 C ATOM 1105 C ALA A 70 -9.489 2.559 5.641 1.00 24.02 C ATOM 1106 O ALA A 70 -9.880 3.619 5.170 1.00 13.11 O ATOM 1107 CB ALA A 70 -9.757 0.563 4.172 1.00 70.13 C ATOM 0 H ALA A 70 -7.948 -0.189 5.631 1.00 62.33 H new ATOM 0 HA ALA A 70 -8.239 2.067 3.981 1.00 25.33 H new ATOM 0 HB1 ALA A 70 -10.492 1.114 3.586 1.00 70.13 H new ATOM 0 HB2 ALA A 70 -9.232 -0.141 3.526 1.00 70.13 H new ATOM 0 HB3 ALA A 70 -10.263 0.017 4.968 1.00 70.13 H new ATOM 1113 N LYS A 71 -9.639 2.240 6.917 1.00 20.14 N ATOM 1114 CA LYS A 71 -10.351 3.104 7.846 1.00 75.31 C ATOM 1115 C LYS A 71 -9.560 4.373 8.140 1.00 50.04 C ATOM 1116 O LYS A 71 -10.133 5.414 8.472 1.00 30.51 O ATOM 1117 CB LYS A 71 -10.643 2.357 9.146 1.00 31.44 C ATOM 1118 CG LYS A 71 -11.374 1.037 8.945 1.00 4.33 C ATOM 1119 CD LYS A 71 -11.687 0.363 10.273 1.00 31.40 C ATOM 1120 CE LYS A 71 -12.717 1.151 11.076 1.00 4.40 C ATOM 1121 NZ LYS A 71 -14.007 1.280 10.348 1.00 34.12 N ATOM 0 H LYS A 71 -9.275 1.384 7.335 1.00 20.14 H new ATOM 0 HA LYS A 71 -11.293 3.392 7.379 1.00 75.31 H new ATOM 0 HB2 LYS A 71 -9.703 2.166 9.663 1.00 31.44 H new ATOM 0 HB3 LYS A 71 -11.240 2.997 9.796 1.00 31.44 H new ATOM 0 HG2 LYS A 71 -12.300 1.213 8.398 1.00 4.33 H new ATOM 0 HG3 LYS A 71 -10.764 0.372 8.333 1.00 4.33 H new ATOM 0 HD2 LYS A 71 -12.061 -0.645 10.091 1.00 31.40 H new ATOM 0 HD3 LYS A 71 -10.771 0.263 10.855 1.00 31.40 H new ATOM 0 HE2 LYS A 71 -12.888 0.656 12.032 1.00 4.40 H new ATOM 0 HE3 LYS A 71 -12.324 2.143 11.296 1.00 4.40 H new ATOM 0 HZ1 LYS A 71 -14.752 1.573 11.012 1.00 34.12 H new ATOM 0 HZ2 LYS A 71 -13.912 1.993 9.597 1.00 34.12 H new ATOM 0 HZ3 LYS A 71 -14.260 0.364 9.925 1.00 34.12 H new ATOM 1135 N ALA A 72 -8.250 4.288 8.005 1.00 11.40 N ATOM 1136 CA ALA A 72 -7.384 5.420 8.279 1.00 21.45 C ATOM 1137 C ALA A 72 -6.993 6.134 6.992 1.00 61.23 C ATOM 1138 O ALA A 72 -6.183 7.062 7.010 1.00 71.51 O ATOM 1139 CB ALA A 72 -6.143 4.961 9.030 1.00 10.01 C ATOM 0 H ALA A 72 -7.761 3.444 7.706 1.00 11.40 H new ATOM 0 HA ALA A 72 -7.933 6.127 8.902 1.00 21.45 H new ATOM 0 HB1 ALA A 72 -5.501 5.819 9.230 1.00 10.01 H new ATOM 0 HB2 ALA A 72 -6.438 4.501 9.973 1.00 10.01 H new ATOM 0 HB3 ALA A 72 -5.600 4.234 8.426 1.00 10.01 H new ATOM 1145 N ARG A 73 -7.587 5.694 5.872 1.00 62.03 N ATOM 1146 CA ARG A 73 -7.302 6.267 4.545 1.00 63.01 C ATOM 1147 C ARG A 73 -5.889 5.933 4.101 1.00 14.12 C ATOM 1148 O ARG A 73 -5.310 6.619 3.256 1.00 24.15 O ATOM 1149 CB ARG A 73 -7.531 7.793 4.525 1.00 54.44 C ATOM 1150 CG ARG A 73 -8.979 8.210 4.308 1.00 22.25 C ATOM 1151 CD ARG A 73 -9.909 7.619 5.356 1.00 52.04 C ATOM 1152 NE ARG A 73 -11.306 7.929 5.076 1.00 21.25 N ATOM 1153 CZ ARG A 73 -12.290 7.835 5.964 1.00 4.44 C ATOM 1154 NH1 ARG A 73 -12.037 7.434 7.204 1.00 34.04 N ATOM 1155 NH2 ARG A 73 -13.531 8.140 5.609 1.00 64.15 N ATOM 0 H ARG A 73 -8.272 4.938 5.858 1.00 62.03 H new ATOM 0 HA ARG A 73 -8.000 5.817 3.839 1.00 63.01 H new ATOM 0 HB2 ARG A 73 -7.183 8.213 5.469 1.00 54.44 H new ATOM 0 HB3 ARG A 73 -6.918 8.230 3.736 1.00 54.44 H new ATOM 0 HG2 ARG A 73 -9.050 9.297 4.333 1.00 22.25 H new ATOM 0 HG3 ARG A 73 -9.302 7.892 3.317 1.00 22.25 H new ATOM 0 HD2 ARG A 73 -9.777 6.538 5.391 1.00 52.04 H new ATOM 0 HD3 ARG A 73 -9.641 8.005 6.339 1.00 52.04 H new ATOM 0 HE ARG A 73 -11.544 8.239 4.134 1.00 21.25 H new ATOM 0 HH11 ARG A 73 -11.084 7.196 7.479 1.00 34.04 H new ATOM 0 HH12 ARG A 73 -12.796 7.363 7.882 1.00 34.04 H new ATOM 0 HH21 ARG A 73 -13.728 8.446 4.656 1.00 64.15 H new ATOM 0 HH22 ARG A 73 -14.288 8.069 6.289 1.00 64.15 H new ATOM 1169 N GLY A 74 -5.335 4.874 4.678 1.00 1.11 N ATOM 1170 CA GLY A 74 -3.995 4.449 4.335 1.00 44.02 C ATOM 1171 C GLY A 74 -2.925 5.251 5.049 1.00 31.13 C ATOM 1172 O GLY A 74 -1.838 4.741 5.321 1.00 42.43 O ATOM 0 H GLY A 74 -5.796 4.299 5.383 1.00 1.11 H new ATOM 0 HA2 GLY A 74 -3.878 3.394 4.583 1.00 44.02 H new ATOM 0 HA3 GLY A 74 -3.854 4.541 3.258 1.00 44.02 H new ATOM 1176 N ASP A 75 -3.233 6.497 5.352 1.00 51.44 N ATOM 1177 CA ASP A 75 -2.298 7.388 6.020 1.00 42.33 C ATOM 1178 C ASP A 75 -2.309 7.124 7.514 1.00 4.25 C ATOM 1179 O ASP A 75 -3.364 7.150 8.150 1.00 70.23 O ATOM 1180 CB ASP A 75 -2.675 8.847 5.741 1.00 2.50 C ATOM 1181 CG ASP A 75 -1.607 9.839 6.172 1.00 51.44 C ATOM 1182 OD1 ASP A 75 -0.996 10.479 5.288 1.00 10.33 O ATOM 1183 OD2 ASP A 75 -1.382 9.997 7.386 1.00 72.53 O ATOM 0 H ASP A 75 -4.137 6.922 5.143 1.00 51.44 H new ATOM 0 HA ASP A 75 -1.295 7.203 5.636 1.00 42.33 H new ATOM 0 HB2 ASP A 75 -2.864 8.968 4.674 1.00 2.50 H new ATOM 0 HB3 ASP A 75 -3.606 9.079 6.258 1.00 2.50 H new ATOM 1188 N LEU A 76 -1.145 6.854 8.071 1.00 64.02 N ATOM 1189 CA LEU A 76 -1.033 6.574 9.495 1.00 64.32 C ATOM 1190 C LEU A 76 -0.202 7.643 10.185 1.00 20.54 C ATOM 1191 O LEU A 76 0.268 7.447 11.310 1.00 43.14 O ATOM 1192 CB LEU A 76 -0.390 5.200 9.728 1.00 34.54 C ATOM 1193 CG LEU A 76 -1.116 3.994 9.122 1.00 74.43 C ATOM 1194 CD1 LEU A 76 -0.380 2.710 9.465 1.00 51.24 C ATOM 1195 CD2 LEU A 76 -2.554 3.925 9.608 1.00 25.25 C ATOM 0 H LEU A 76 -0.262 6.822 7.562 1.00 64.02 H new ATOM 0 HA LEU A 76 -2.038 6.573 9.916 1.00 64.32 H new ATOM 0 HB2 LEU A 76 0.623 5.225 9.327 1.00 34.54 H new ATOM 0 HB3 LEU A 76 -0.304 5.042 10.803 1.00 34.54 H new ATOM 0 HG LEU A 76 -1.130 4.113 8.039 1.00 74.43 H new ATOM 0 HD11 LEU A 76 -0.906 1.861 9.028 1.00 51.24 H new ATOM 0 HD12 LEU A 76 0.633 2.753 9.065 1.00 51.24 H new ATOM 0 HD13 LEU A 76 -0.338 2.593 10.548 1.00 51.24 H new ATOM 0 HD21 LEU A 76 -3.047 3.061 9.163 1.00 25.25 H new ATOM 0 HD22 LEU A 76 -2.567 3.832 10.694 1.00 25.25 H new ATOM 0 HD23 LEU A 76 -3.081 4.833 9.316 1.00 25.25 H new ATOM 1207 N GLY A 77 -0.037 8.775 9.523 1.00 11.45 N ATOM 1208 CA GLY A 77 0.787 9.825 10.069 1.00 2.34 C ATOM 1209 C GLY A 77 2.247 9.441 10.037 1.00 12.55 C ATOM 1210 O GLY A 77 2.664 8.649 9.190 1.00 22.32 O ATOM 0 H GLY A 77 -0.459 8.984 8.618 1.00 11.45 H new ATOM 0 HA2 GLY A 77 0.636 10.743 9.501 1.00 2.34 H new ATOM 0 HA3 GLY A 77 0.485 10.033 11.095 1.00 2.34 H new ATOM 1214 N ALA A 78 3.025 9.985 10.948 1.00 43.11 N ATOM 1215 CA ALA A 78 4.433 9.665 11.008 1.00 23.32 C ATOM 1216 C ALA A 78 4.653 8.402 11.822 1.00 15.32 C ATOM 1217 O ALA A 78 4.312 8.342 13.009 1.00 74.02 O ATOM 1218 CB ALA A 78 5.221 10.827 11.597 1.00 71.34 C ATOM 0 H ALA A 78 2.707 10.648 11.654 1.00 43.11 H new ATOM 0 HA ALA A 78 4.792 9.489 9.994 1.00 23.32 H new ATOM 0 HB1 ALA A 78 6.279 10.567 11.634 1.00 71.34 H new ATOM 0 HB2 ALA A 78 5.086 11.711 10.974 1.00 71.34 H new ATOM 0 HB3 ALA A 78 4.863 11.036 12.605 1.00 71.34 H new ATOM 1224 N PHE A 79 5.232 7.403 11.193 1.00 22.33 N ATOM 1225 CA PHE A 79 5.495 6.138 11.852 1.00 62.32 C ATOM 1226 C PHE A 79 6.983 5.839 11.862 1.00 71.33 C ATOM 1227 O PHE A 79 7.708 6.232 10.948 1.00 64.54 O ATOM 1228 CB PHE A 79 4.709 4.995 11.179 1.00 43.11 C ATOM 1229 CG PHE A 79 4.896 4.900 9.684 1.00 34.55 C ATOM 1230 CD1 PHE A 79 4.000 5.513 8.820 1.00 72.13 C ATOM 1231 CD2 PHE A 79 5.961 4.196 9.144 1.00 63.33 C ATOM 1232 CE1 PHE A 79 4.164 5.424 7.452 1.00 42.51 C ATOM 1233 CE2 PHE A 79 6.129 4.106 7.777 1.00 71.11 C ATOM 1234 CZ PHE A 79 5.231 4.720 6.930 1.00 22.11 C ATOM 0 H PHE A 79 5.532 7.441 10.219 1.00 22.33 H new ATOM 0 HA PHE A 79 5.157 6.215 12.885 1.00 62.32 H new ATOM 0 HB2 PHE A 79 5.010 4.050 11.631 1.00 43.11 H new ATOM 0 HB3 PHE A 79 3.648 5.127 11.392 1.00 43.11 H new ATOM 0 HD1 PHE A 79 3.164 6.066 9.222 1.00 72.13 H new ATOM 0 HD2 PHE A 79 6.668 3.712 9.801 1.00 63.33 H new ATOM 0 HE1 PHE A 79 3.458 5.905 6.791 1.00 42.51 H new ATOM 0 HE2 PHE A 79 6.964 3.555 7.371 1.00 71.11 H new ATOM 0 HZ PHE A 79 5.362 4.650 5.860 1.00 22.11 H new ATOM 1244 N SER A 80 7.435 5.170 12.910 1.00 22.11 N ATOM 1245 CA SER A 80 8.839 4.827 13.048 1.00 70.15 C ATOM 1246 C SER A 80 9.194 3.635 12.160 1.00 43.43 C ATOM 1247 O SER A 80 8.333 2.800 11.854 1.00 73.41 O ATOM 1248 CB SER A 80 9.157 4.504 14.510 1.00 4.55 C ATOM 1249 OG SER A 80 8.538 5.437 15.388 1.00 45.32 O ATOM 0 H SER A 80 6.846 4.853 13.680 1.00 22.11 H new ATOM 0 HA SER A 80 9.436 5.682 12.732 1.00 70.15 H new ATOM 0 HB2 SER A 80 8.815 3.496 14.746 1.00 4.55 H new ATOM 0 HB3 SER A 80 10.236 4.518 14.662 1.00 4.55 H new ATOM 0 HG SER A 80 7.671 5.086 15.680 1.00 45.32 H new ATOM 1255 N ARG A 81 10.455 3.562 11.753 1.00 11.41 N ATOM 1256 CA ARG A 81 10.949 2.479 10.898 1.00 34.11 C ATOM 1257 C ARG A 81 10.672 1.102 11.507 1.00 64.20 C ATOM 1258 O ARG A 81 10.212 0.186 10.821 1.00 42.04 O ATOM 1259 CB ARG A 81 12.454 2.647 10.651 1.00 13.13 C ATOM 1260 CG ARG A 81 12.805 3.840 9.778 1.00 71.41 C ATOM 1261 CD ARG A 81 14.305 3.970 9.575 1.00 34.41 C ATOM 1262 NE ARG A 81 14.994 4.368 10.803 1.00 62.14 N ATOM 1263 CZ ARG A 81 16.322 4.441 10.934 1.00 72.20 C ATOM 1264 NH1 ARG A 81 17.116 4.077 9.931 1.00 20.52 N ATOM 1265 NH2 ARG A 81 16.853 4.865 12.076 1.00 23.44 N ATOM 0 H ARG A 81 11.167 4.249 12.003 1.00 11.41 H new ATOM 0 HA ARG A 81 10.414 2.538 9.950 1.00 34.11 H new ATOM 0 HB2 ARG A 81 12.961 2.750 11.611 1.00 13.13 H new ATOM 0 HB3 ARG A 81 12.839 1.741 10.183 1.00 13.13 H new ATOM 0 HG2 ARG A 81 12.315 3.738 8.810 1.00 71.41 H new ATOM 0 HG3 ARG A 81 12.420 4.751 10.236 1.00 71.41 H new ATOM 0 HD2 ARG A 81 14.707 3.019 9.226 1.00 34.41 H new ATOM 0 HD3 ARG A 81 14.502 4.705 8.795 1.00 34.41 H new ATOM 0 HE ARG A 81 14.422 4.606 11.614 1.00 62.14 H new ATOM 0 HH11 ARG A 81 16.712 3.740 9.057 1.00 20.52 H new ATOM 0 HH12 ARG A 81 18.129 4.135 10.036 1.00 20.52 H new ATOM 0 HH21 ARG A 81 16.247 5.134 12.851 1.00 23.44 H new ATOM 0 HH22 ARG A 81 17.866 4.921 12.177 1.00 23.44 H new ATOM 1279 N GLY A 82 10.913 0.981 12.803 1.00 51.34 N ATOM 1280 CA GLY A 82 10.738 -0.291 13.488 1.00 62.22 C ATOM 1281 C GLY A 82 9.281 -0.695 13.674 1.00 3.44 C ATOM 1282 O GLY A 82 8.993 -1.735 14.269 1.00 22.32 O ATOM 0 H GLY A 82 11.229 1.745 13.400 1.00 51.34 H new ATOM 0 HA2 GLY A 82 11.252 -1.070 12.925 1.00 62.22 H new ATOM 0 HA3 GLY A 82 11.217 -0.235 14.465 1.00 62.22 H new ATOM 1286 N GLN A 83 8.364 0.111 13.170 1.00 5.43 N ATOM 1287 CA GLN A 83 6.945 -0.189 13.293 1.00 31.20 C ATOM 1288 C GLN A 83 6.408 -0.803 12.010 1.00 11.33 C ATOM 1289 O GLN A 83 5.210 -1.041 11.883 1.00 51.20 O ATOM 1290 CB GLN A 83 6.151 1.074 13.626 1.00 74.41 C ATOM 1291 CG GLN A 83 6.546 1.731 14.936 1.00 42.03 C ATOM 1292 CD GLN A 83 5.750 2.991 15.223 1.00 12.35 C ATOM 1293 OE1 GLN A 83 6.254 3.932 15.838 1.00 51.34 O ATOM 1294 NE2 GLN A 83 4.503 3.017 14.799 1.00 62.35 N ATOM 0 H GLN A 83 8.573 0.977 12.673 1.00 5.43 H new ATOM 0 HA GLN A 83 6.828 -0.907 14.105 1.00 31.20 H new ATOM 0 HB2 GLN A 83 6.280 1.794 12.818 1.00 74.41 H new ATOM 0 HB3 GLN A 83 5.091 0.824 13.663 1.00 74.41 H new ATOM 0 HG2 GLN A 83 6.402 1.022 15.751 1.00 42.03 H new ATOM 0 HG3 GLN A 83 7.608 1.975 14.910 1.00 42.03 H new ATOM 0 HE21 GLN A 83 4.120 2.219 14.293 1.00 62.35 H new ATOM 0 HE22 GLN A 83 3.921 3.835 14.977 1.00 62.35 H new ATOM 1303 N MET A 84 7.295 -1.057 11.061 1.00 42.01 N ATOM 1304 CA MET A 84 6.888 -1.613 9.780 1.00 32.14 C ATOM 1305 C MET A 84 7.757 -2.793 9.377 1.00 70.02 C ATOM 1306 O MET A 84 8.811 -3.042 9.977 1.00 32.14 O ATOM 1307 CB MET A 84 6.926 -0.538 8.693 1.00 40.23 C ATOM 1308 CG MET A 84 5.886 0.554 8.876 1.00 40.15 C ATOM 1309 SD MET A 84 4.196 -0.076 8.773 1.00 45.21 S ATOM 1310 CE MET A 84 3.261 1.414 9.103 1.00 53.42 C ATOM 0 H MET A 84 8.297 -0.888 11.152 1.00 42.01 H new ATOM 0 HA MET A 84 5.865 -1.973 9.891 1.00 32.14 H new ATOM 0 HB2 MET A 84 7.917 -0.084 8.678 1.00 40.23 H new ATOM 0 HB3 MET A 84 6.777 -1.010 7.722 1.00 40.23 H new ATOM 0 HG2 MET A 84 6.033 1.033 9.844 1.00 40.15 H new ATOM 0 HG3 MET A 84 6.031 1.321 8.115 1.00 40.15 H new ATOM 0 HE1 MET A 84 2.272 1.148 9.475 1.00 53.42 H new ATOM 0 HE2 MET A 84 3.781 2.012 9.852 1.00 53.42 H new ATOM 0 HE3 MET A 84 3.160 1.991 8.184 1.00 53.42 H new ATOM 1320 N GLN A 85 7.301 -3.521 8.362 1.00 3.11 N ATOM 1321 CA GLN A 85 8.026 -4.671 7.839 1.00 70.34 C ATOM 1322 C GLN A 85 9.279 -4.222 7.101 1.00 72.24 C ATOM 1323 O GLN A 85 9.387 -3.062 6.710 1.00 23.44 O ATOM 1324 CB GLN A 85 7.128 -5.483 6.905 1.00 24.11 C ATOM 1325 CG GLN A 85 5.959 -6.153 7.607 1.00 35.33 C ATOM 1326 CD GLN A 85 6.406 -7.210 8.595 1.00 42.21 C ATOM 1327 OE1 GLN A 85 6.551 -8.377 8.246 1.00 23.33 O ATOM 1328 NE2 GLN A 85 6.622 -6.811 9.833 1.00 15.14 N ATOM 0 H GLN A 85 6.422 -3.330 7.881 1.00 3.11 H new ATOM 0 HA GLN A 85 8.324 -5.301 8.677 1.00 70.34 H new ATOM 0 HB2 GLN A 85 6.743 -4.826 6.125 1.00 24.11 H new ATOM 0 HB3 GLN A 85 7.729 -6.247 6.411 1.00 24.11 H new ATOM 0 HG2 GLN A 85 5.371 -5.398 8.129 1.00 35.33 H new ATOM 0 HG3 GLN A 85 5.305 -6.608 6.863 1.00 35.33 H new ATOM 0 HE21 GLN A 85 6.490 -5.831 10.083 1.00 15.14 H new ATOM 0 HE22 GLN A 85 6.921 -7.482 10.540 1.00 15.14 H new ATOM 1337 N LYS A 86 10.204 -5.147 6.893 1.00 21.24 N ATOM 1338 CA LYS A 86 11.477 -4.841 6.235 1.00 64.04 C ATOM 1339 C LYS A 86 11.284 -4.207 4.836 1.00 15.40 C ATOM 1340 O LYS A 86 11.813 -3.120 4.581 1.00 71.53 O ATOM 1341 CB LYS A 86 12.367 -6.092 6.156 1.00 70.33 C ATOM 1342 CG LYS A 86 12.645 -6.740 7.508 1.00 72.32 C ATOM 1343 CD LYS A 86 13.408 -5.805 8.434 1.00 42.45 C ATOM 1344 CE LYS A 86 13.565 -6.401 9.826 1.00 10.11 C ATOM 1345 NZ LYS A 86 14.311 -7.687 9.808 1.00 62.30 N ATOM 0 H LYS A 86 10.101 -6.123 7.170 1.00 21.24 H new ATOM 0 HA LYS A 86 11.981 -4.096 6.850 1.00 64.04 H new ATOM 0 HB2 LYS A 86 11.890 -6.824 5.505 1.00 70.33 H new ATOM 0 HB3 LYS A 86 13.316 -5.822 5.692 1.00 70.33 H new ATOM 0 HG2 LYS A 86 11.703 -7.026 7.975 1.00 72.32 H new ATOM 0 HG3 LYS A 86 13.219 -7.655 7.362 1.00 72.32 H new ATOM 0 HD2 LYS A 86 14.392 -5.598 8.013 1.00 42.45 H new ATOM 0 HD3 LYS A 86 12.884 -4.852 8.503 1.00 42.45 H new ATOM 0 HE2 LYS A 86 14.087 -5.690 10.467 1.00 10.11 H new ATOM 0 HE3 LYS A 86 12.580 -6.561 10.264 1.00 10.11 H new ATOM 0 HZ1 LYS A 86 14.496 -7.995 10.784 1.00 62.30 H new ATOM 0 HZ2 LYS A 86 13.745 -8.410 9.319 1.00 62.30 H new ATOM 0 HZ3 LYS A 86 15.214 -7.558 9.309 1.00 62.30 H new ATOM 1359 N PRO A 87 10.520 -4.859 3.907 1.00 23.33 N ATOM 1360 CA PRO A 87 10.290 -4.305 2.564 1.00 30.11 C ATOM 1361 C PRO A 87 9.496 -3.003 2.612 1.00 23.34 C ATOM 1362 O PRO A 87 9.716 -2.098 1.808 1.00 14.40 O ATOM 1363 CB PRO A 87 9.478 -5.396 1.851 1.00 5.22 C ATOM 1364 CG PRO A 87 8.863 -6.194 2.948 1.00 3.35 C ATOM 1365 CD PRO A 87 9.849 -6.169 4.076 1.00 31.34 C ATOM 0 HA PRO A 87 11.225 -4.060 2.061 1.00 30.11 H new ATOM 0 HB2 PRO A 87 8.716 -4.962 1.203 1.00 5.22 H new ATOM 0 HB3 PRO A 87 10.116 -6.016 1.221 1.00 5.22 H new ATOM 0 HG2 PRO A 87 7.908 -5.766 3.254 1.00 3.35 H new ATOM 0 HG3 PRO A 87 8.665 -7.216 2.624 1.00 3.35 H new ATOM 0 HD2 PRO A 87 9.355 -6.247 5.045 1.00 31.34 H new ATOM 0 HD3 PRO A 87 10.557 -6.996 4.011 1.00 31.34 H new ATOM 1373 N PHE A 88 8.581 -2.913 3.574 1.00 2.05 N ATOM 1374 CA PHE A 88 7.746 -1.734 3.726 1.00 71.14 C ATOM 1375 C PHE A 88 8.596 -0.554 4.179 1.00 41.10 C ATOM 1376 O PHE A 88 8.526 0.524 3.601 1.00 25.14 O ATOM 1377 CB PHE A 88 6.623 -2.004 4.738 1.00 62.02 C ATOM 1378 CG PHE A 88 5.531 -0.961 4.749 1.00 42.12 C ATOM 1379 CD1 PHE A 88 4.321 -1.204 4.120 1.00 14.43 C ATOM 1380 CD2 PHE A 88 5.713 0.255 5.390 1.00 42.11 C ATOM 1381 CE1 PHE A 88 3.316 -0.257 4.132 1.00 32.23 C ATOM 1382 CE2 PHE A 88 4.712 1.207 5.402 1.00 3.42 C ATOM 1383 CZ PHE A 88 3.512 0.951 4.774 1.00 72.22 C ATOM 0 H PHE A 88 8.402 -3.647 4.259 1.00 2.05 H new ATOM 0 HA PHE A 88 7.293 -1.494 2.764 1.00 71.14 H new ATOM 0 HB2 PHE A 88 6.179 -2.975 4.520 1.00 62.02 H new ATOM 0 HB3 PHE A 88 7.057 -2.069 5.736 1.00 62.02 H new ATOM 0 HD1 PHE A 88 4.162 -2.145 3.614 1.00 14.43 H new ATOM 0 HD2 PHE A 88 6.650 0.461 5.887 1.00 42.11 H new ATOM 0 HE1 PHE A 88 2.377 -0.460 3.640 1.00 32.23 H new ATOM 0 HE2 PHE A 88 4.870 2.151 5.903 1.00 3.42 H new ATOM 0 HZ PHE A 88 2.727 1.693 4.784 1.00 72.22 H new ATOM 1393 N GLU A 89 9.403 -0.781 5.210 1.00 5.12 N ATOM 1394 CA GLU A 89 10.297 0.239 5.754 1.00 21.44 C ATOM 1395 C GLU A 89 11.207 0.789 4.662 1.00 52.23 C ATOM 1396 O GLU A 89 11.298 2.002 4.462 1.00 44.35 O ATOM 1397 CB GLU A 89 11.149 -0.365 6.877 1.00 34.52 C ATOM 1398 CG GLU A 89 12.155 0.599 7.488 1.00 64.13 C ATOM 1399 CD GLU A 89 13.146 -0.097 8.397 1.00 5.23 C ATOM 1400 OE1 GLU A 89 12.827 -0.325 9.575 1.00 30.51 O ATOM 1401 OE2 GLU A 89 14.259 -0.425 7.934 1.00 31.21 O ATOM 0 H GLU A 89 9.457 -1.678 5.693 1.00 5.12 H new ATOM 0 HA GLU A 89 9.693 1.055 6.152 1.00 21.44 H new ATOM 0 HB2 GLU A 89 10.488 -0.728 7.664 1.00 34.52 H new ATOM 0 HB3 GLU A 89 11.684 -1.230 6.486 1.00 34.52 H new ATOM 0 HG2 GLU A 89 12.695 1.110 6.691 1.00 64.13 H new ATOM 0 HG3 GLU A 89 11.623 1.364 8.054 1.00 64.13 H new ATOM 1408 N ASP A 90 11.852 -0.118 3.946 1.00 60.12 N ATOM 1409 CA ASP A 90 12.793 0.247 2.895 1.00 20.20 C ATOM 1410 C ASP A 90 12.130 1.082 1.807 1.00 54.31 C ATOM 1411 O ASP A 90 12.685 2.081 1.360 1.00 44.14 O ATOM 1412 CB ASP A 90 13.417 -1.010 2.283 1.00 23.14 C ATOM 1413 CG ASP A 90 14.457 -0.692 1.230 1.00 23.23 C ATOM 1414 OD1 ASP A 90 14.158 -0.829 0.028 1.00 63.11 O ATOM 1415 OD2 ASP A 90 15.590 -0.313 1.603 1.00 54.52 O ATOM 0 H ASP A 90 11.740 -1.124 4.075 1.00 60.12 H new ATOM 0 HA ASP A 90 13.575 0.855 3.351 1.00 20.20 H new ATOM 0 HB2 ASP A 90 13.876 -1.605 3.073 1.00 23.14 H new ATOM 0 HB3 ASP A 90 12.631 -1.622 1.839 1.00 23.14 H new ATOM 1420 N ALA A 91 10.943 0.677 1.395 1.00 14.22 N ATOM 1421 CA ALA A 91 10.230 1.364 0.328 1.00 2.12 C ATOM 1422 C ALA A 91 9.603 2.684 0.793 1.00 51.45 C ATOM 1423 O ALA A 91 9.681 3.692 0.093 1.00 14.11 O ATOM 1424 CB ALA A 91 9.167 0.456 -0.265 1.00 23.32 C ATOM 0 H ALA A 91 10.449 -0.127 1.783 1.00 14.22 H new ATOM 0 HA ALA A 91 10.964 1.612 -0.438 1.00 2.12 H new ATOM 0 HB1 ALA A 91 8.642 0.983 -1.062 1.00 23.32 H new ATOM 0 HB2 ALA A 91 9.638 -0.439 -0.671 1.00 23.32 H new ATOM 0 HB3 ALA A 91 8.457 0.172 0.512 1.00 23.32 H new ATOM 1430 N ALA A 92 8.993 2.672 1.971 1.00 5.25 N ATOM 1431 CA ALA A 92 8.288 3.845 2.490 1.00 65.35 C ATOM 1432 C ALA A 92 9.229 4.998 2.810 1.00 43.50 C ATOM 1433 O ALA A 92 8.947 6.146 2.471 1.00 75.14 O ATOM 1434 CB ALA A 92 7.474 3.478 3.722 1.00 54.44 C ATOM 0 H ALA A 92 8.970 1.861 2.590 1.00 5.25 H new ATOM 0 HA ALA A 92 7.617 4.184 1.700 1.00 65.35 H new ATOM 0 HB1 ALA A 92 6.957 4.363 4.093 1.00 54.44 H new ATOM 0 HB2 ALA A 92 6.742 2.714 3.460 1.00 54.44 H new ATOM 0 HB3 ALA A 92 8.139 3.094 4.496 1.00 54.44 H new ATOM 1440 N PHE A 93 10.345 4.693 3.450 1.00 14.40 N ATOM 1441 CA PHE A 93 11.294 5.727 3.854 1.00 53.15 C ATOM 1442 C PHE A 93 12.198 6.153 2.698 1.00 64.32 C ATOM 1443 O PHE A 93 13.008 7.076 2.832 1.00 44.51 O ATOM 1444 CB PHE A 93 12.115 5.264 5.062 1.00 30.52 C ATOM 1445 CG PHE A 93 11.298 5.161 6.327 1.00 24.05 C ATOM 1446 CD1 PHE A 93 11.333 6.171 7.272 1.00 0.45 C ATOM 1447 CD2 PHE A 93 10.486 4.062 6.560 1.00 14.11 C ATOM 1448 CE1 PHE A 93 10.574 6.088 8.426 1.00 60.03 C ATOM 1449 CE2 PHE A 93 9.729 3.972 7.710 1.00 62.51 C ATOM 1450 CZ PHE A 93 9.771 4.988 8.644 1.00 12.40 C ATOM 0 H PHE A 93 10.619 3.743 3.702 1.00 14.40 H new ATOM 0 HA PHE A 93 10.720 6.606 4.148 1.00 53.15 H new ATOM 0 HB2 PHE A 93 12.558 4.293 4.842 1.00 30.52 H new ATOM 0 HB3 PHE A 93 12.938 5.960 5.223 1.00 30.52 H new ATOM 0 HD1 PHE A 93 11.960 7.035 7.107 1.00 0.45 H new ATOM 0 HD2 PHE A 93 10.445 3.266 5.832 1.00 14.11 H new ATOM 0 HE1 PHE A 93 10.610 6.884 9.155 1.00 60.03 H new ATOM 0 HE2 PHE A 93 9.104 3.108 7.879 1.00 62.51 H new ATOM 0 HZ PHE A 93 9.176 4.922 9.543 1.00 12.40 H new ATOM 1460 N ALA A 94 12.047 5.490 1.564 1.00 1.12 N ATOM 1461 CA ALA A 94 12.809 5.831 0.375 1.00 31.12 C ATOM 1462 C ALA A 94 12.016 6.790 -0.496 1.00 40.34 C ATOM 1463 O ALA A 94 12.487 7.240 -1.539 1.00 70.22 O ATOM 1464 CB ALA A 94 13.164 4.582 -0.407 1.00 35.25 C ATOM 0 H ALA A 94 11.401 4.710 1.442 1.00 1.12 H new ATOM 0 HA ALA A 94 13.734 6.318 0.684 1.00 31.12 H new ATOM 0 HB1 ALA A 94 13.734 4.858 -1.294 1.00 35.25 H new ATOM 0 HB2 ALA A 94 13.763 3.919 0.218 1.00 35.25 H new ATOM 0 HB3 ALA A 94 12.250 4.069 -0.708 1.00 35.25 H new ATOM 1470 N LEU A 95 10.806 7.091 -0.065 1.00 12.31 N ATOM 1471 CA LEU A 95 9.939 7.993 -0.794 1.00 34.41 C ATOM 1472 C LEU A 95 9.941 9.359 -0.158 1.00 14.32 C ATOM 1473 O LEU A 95 9.757 9.487 1.049 1.00 30.53 O ATOM 1474 CB LEU A 95 8.509 7.464 -0.818 1.00 75.42 C ATOM 1475 CG LEU A 95 8.291 6.128 -1.510 1.00 14.40 C ATOM 1476 CD1 LEU A 95 6.831 5.731 -1.411 1.00 51.12 C ATOM 1477 CD2 LEU A 95 8.736 6.199 -2.964 1.00 44.43 C ATOM 0 H LEU A 95 10.400 6.720 0.794 1.00 12.31 H new ATOM 0 HA LEU A 95 10.317 8.064 -1.814 1.00 34.41 H new ATOM 0 HB2 LEU A 95 8.161 7.376 0.211 1.00 75.42 H new ATOM 0 HB3 LEU A 95 7.878 8.208 -1.305 1.00 75.42 H new ATOM 0 HG LEU A 95 8.894 5.369 -1.013 1.00 14.40 H new ATOM 0 HD11 LEU A 95 6.680 4.773 -1.908 1.00 51.12 H new ATOM 0 HD12 LEU A 95 6.548 5.644 -0.362 1.00 51.12 H new ATOM 0 HD13 LEU A 95 6.214 6.490 -1.891 1.00 51.12 H new ATOM 0 HD21 LEU A 95 8.572 5.233 -3.442 1.00 44.43 H new ATOM 0 HD22 LEU A 95 8.159 6.964 -3.484 1.00 44.43 H new ATOM 0 HD23 LEU A 95 9.796 6.451 -3.008 1.00 44.43 H new ATOM 1489 N ARG A 96 10.161 10.374 -0.960 1.00 63.23 N ATOM 1490 CA ARG A 96 10.109 11.739 -0.485 1.00 62.32 C ATOM 1491 C ARG A 96 8.727 12.307 -0.748 1.00 15.42 C ATOM 1492 O ARG A 96 7.930 11.686 -1.448 1.00 32.24 O ATOM 1493 CB ARG A 96 11.190 12.598 -1.149 1.00 10.52 C ATOM 1494 CG ARG A 96 12.579 12.462 -0.523 1.00 54.42 C ATOM 1495 CD ARG A 96 13.122 11.037 -0.599 1.00 25.34 C ATOM 1496 NE ARG A 96 13.282 10.572 -1.979 1.00 60.40 N ATOM 1497 CZ ARG A 96 14.326 9.867 -2.420 1.00 34.53 C ATOM 1498 NH1 ARG A 96 15.289 9.502 -1.580 1.00 21.21 N ATOM 1499 NH2 ARG A 96 14.397 9.510 -3.696 1.00 33.20 N ATOM 0 H ARG A 96 10.379 10.280 -1.952 1.00 63.23 H new ATOM 0 HA ARG A 96 10.303 11.749 0.587 1.00 62.32 H new ATOM 0 HB2 ARG A 96 11.253 12.330 -2.204 1.00 10.52 H new ATOM 0 HB3 ARG A 96 10.885 13.643 -1.103 1.00 10.52 H new ATOM 0 HG2 ARG A 96 13.269 13.137 -1.029 1.00 54.42 H new ATOM 0 HG3 ARG A 96 12.535 12.775 0.520 1.00 54.42 H new ATOM 0 HD2 ARG A 96 14.084 10.990 -0.089 1.00 25.34 H new ATOM 0 HD3 ARG A 96 12.447 10.365 -0.068 1.00 25.34 H new ATOM 0 HE ARG A 96 12.547 10.802 -2.647 1.00 60.40 H new ATOM 0 HH11 ARG A 96 15.232 9.761 -0.595 1.00 21.21 H new ATOM 0 HH12 ARG A 96 16.085 8.963 -1.920 1.00 21.21 H new ATOM 0 HH21 ARG A 96 13.653 9.774 -4.342 1.00 33.20 H new ATOM 0 HH22 ARG A 96 15.196 8.971 -4.031 1.00 33.20 H new ATOM 1513 N THR A 97 8.444 13.472 -0.183 1.00 32.12 N ATOM 1514 CA THR A 97 7.130 14.106 -0.303 1.00 70.10 C ATOM 1515 C THR A 97 6.631 14.134 -1.757 1.00 61.32 C ATOM 1516 O THR A 97 7.239 14.772 -2.620 1.00 74.14 O ATOM 1517 CB THR A 97 7.180 15.545 0.241 1.00 34.43 C ATOM 1518 OG1 THR A 97 7.893 15.558 1.486 1.00 13.33 O ATOM 1519 CG2 THR A 97 5.775 16.092 0.456 1.00 31.40 C ATOM 0 H THR A 97 9.113 14.006 0.371 1.00 32.12 H new ATOM 0 HA THR A 97 6.433 13.508 0.284 1.00 70.10 H new ATOM 0 HB THR A 97 7.689 16.175 -0.488 1.00 34.43 H new ATOM 0 HG1 THR A 97 7.610 14.796 2.033 1.00 13.33 H new ATOM 0 HG21 THR A 97 5.836 17.110 0.841 1.00 31.40 H new ATOM 0 HG22 THR A 97 5.236 16.094 -0.492 1.00 31.40 H new ATOM 0 HG23 THR A 97 5.246 15.464 1.173 1.00 31.40 H new ATOM 1527 N GLY A 98 5.547 13.408 -2.020 1.00 74.40 N ATOM 1528 CA GLY A 98 4.960 13.404 -3.346 1.00 11.02 C ATOM 1529 C GLY A 98 5.395 12.225 -4.201 1.00 33.43 C ATOM 1530 O GLY A 98 4.857 12.015 -5.285 1.00 22.35 O ATOM 0 H GLY A 98 5.066 12.823 -1.337 1.00 74.40 H new ATOM 0 HA2 GLY A 98 3.874 13.394 -3.253 1.00 11.02 H new ATOM 0 HA3 GLY A 98 5.228 14.330 -3.855 1.00 11.02 H new ATOM 1534 N GLU A 99 6.359 11.456 -3.727 1.00 73.15 N ATOM 1535 CA GLU A 99 6.849 10.319 -4.491 1.00 62.32 C ATOM 1536 C GLU A 99 6.063 9.055 -4.162 1.00 61.22 C ATOM 1537 O GLU A 99 5.625 8.854 -3.020 1.00 0.44 O ATOM 1538 CB GLU A 99 8.345 10.105 -4.255 1.00 31.33 C ATOM 1539 CG GLU A 99 9.191 11.316 -4.618 1.00 73.22 C ATOM 1540 CD GLU A 99 10.675 11.038 -4.571 1.00 52.33 C ATOM 1541 OE1 GLU A 99 11.142 10.437 -3.584 1.00 13.55 O ATOM 1542 OE2 GLU A 99 11.391 11.437 -5.519 1.00 12.32 O ATOM 0 H GLU A 99 6.816 11.595 -2.825 1.00 73.15 H new ATOM 0 HA GLU A 99 6.701 10.540 -5.548 1.00 62.32 H new ATOM 0 HB2 GLU A 99 8.508 9.858 -3.206 1.00 31.33 H new ATOM 0 HB3 GLU A 99 8.679 9.248 -4.840 1.00 31.33 H new ATOM 0 HG2 GLU A 99 8.922 11.653 -5.619 1.00 73.22 H new ATOM 0 HG3 GLU A 99 8.959 12.132 -3.934 1.00 73.22 H new ATOM 1549 N MET A 100 5.882 8.213 -5.165 1.00 1.22 N ATOM 1550 CA MET A 100 5.122 6.983 -5.016 1.00 24.24 C ATOM 1551 C MET A 100 5.976 5.783 -5.391 1.00 10.41 C ATOM 1552 O MET A 100 6.673 5.805 -6.400 1.00 51.52 O ATOM 1553 CB MET A 100 3.874 7.022 -5.900 1.00 73.32 C ATOM 1554 CG MET A 100 2.941 5.834 -5.704 1.00 71.53 C ATOM 1555 SD MET A 100 1.464 5.922 -6.735 1.00 25.13 S ATOM 1556 CE MET A 100 2.185 5.902 -8.376 1.00 70.34 C ATOM 0 H MET A 100 6.256 8.361 -6.102 1.00 1.22 H new ATOM 0 HA MET A 100 4.819 6.891 -3.973 1.00 24.24 H new ATOM 0 HB2 MET A 100 3.324 7.941 -5.695 1.00 73.32 H new ATOM 0 HB3 MET A 100 4.182 7.061 -6.945 1.00 73.32 H new ATOM 0 HG2 MET A 100 3.481 4.914 -5.929 1.00 71.53 H new ATOM 0 HG3 MET A 100 2.644 5.781 -4.657 1.00 71.53 H new ATOM 0 HE1 MET A 100 1.391 5.862 -9.122 1.00 70.34 H new ATOM 0 HE2 MET A 100 2.777 6.805 -8.524 1.00 70.34 H new ATOM 0 HE3 MET A 100 2.826 5.027 -8.481 1.00 70.34 H new ATOM 1566 N SER A 101 5.916 4.743 -4.580 1.00 15.31 N ATOM 1567 CA SER A 101 6.679 3.536 -4.840 1.00 13.01 C ATOM 1568 C SER A 101 5.903 2.595 -5.751 1.00 22.22 C ATOM 1569 O SER A 101 6.479 1.920 -6.599 1.00 64.24 O ATOM 1570 CB SER A 101 7.031 2.828 -3.527 1.00 64.14 C ATOM 1571 OG SER A 101 7.717 1.615 -3.765 1.00 35.21 O ATOM 0 H SER A 101 5.346 4.710 -3.735 1.00 15.31 H new ATOM 0 HA SER A 101 7.604 3.821 -5.342 1.00 13.01 H new ATOM 0 HB2 SER A 101 7.649 3.483 -2.913 1.00 64.14 H new ATOM 0 HB3 SER A 101 6.120 2.628 -2.963 1.00 64.14 H new ATOM 0 HG SER A 101 8.528 1.585 -3.216 1.00 35.21 H new ATOM 1577 N GLY A 102 4.599 2.561 -5.578 1.00 43.23 N ATOM 1578 CA GLY A 102 3.785 1.681 -6.375 1.00 1.35 C ATOM 1579 C GLY A 102 3.642 0.315 -5.734 1.00 64.32 C ATOM 1580 O GLY A 102 3.288 0.224 -4.563 1.00 23.14 O ATOM 0 H GLY A 102 4.088 3.127 -4.900 1.00 43.23 H new ATOM 0 HA2 GLY A 102 2.798 2.123 -6.513 1.00 1.35 H new ATOM 0 HA3 GLY A 102 4.227 1.574 -7.365 1.00 1.35 H new ATOM 1584 N PRO A 103 3.935 -0.765 -6.474 1.00 60.15 N ATOM 1585 CA PRO A 103 3.795 -2.130 -5.967 1.00 23.02 C ATOM 1586 C PRO A 103 4.931 -2.556 -5.024 1.00 22.22 C ATOM 1587 O PRO A 103 6.065 -2.797 -5.456 1.00 41.45 O ATOM 1588 CB PRO A 103 3.804 -2.982 -7.236 1.00 74.42 C ATOM 1589 CG PRO A 103 4.602 -2.196 -8.223 1.00 12.42 C ATOM 1590 CD PRO A 103 4.420 -0.738 -7.869 1.00 20.13 C ATOM 0 HA PRO A 103 2.894 -2.236 -5.363 1.00 23.02 H new ATOM 0 HB2 PRO A 103 4.253 -3.958 -7.053 1.00 74.42 H new ATOM 0 HB3 PRO A 103 2.792 -3.160 -7.599 1.00 74.42 H new ATOM 0 HG2 PRO A 103 5.655 -2.476 -8.180 1.00 12.42 H new ATOM 0 HG3 PRO A 103 4.261 -2.392 -9.240 1.00 12.42 H new ATOM 0 HD2 PRO A 103 5.356 -0.187 -7.955 1.00 20.13 H new ATOM 0 HD3 PRO A 103 3.703 -0.253 -8.531 1.00 20.13 H new ATOM 1598 N VAL A 104 4.623 -2.615 -3.739 1.00 73.44 N ATOM 1599 CA VAL A 104 5.558 -3.093 -2.733 1.00 21.43 C ATOM 1600 C VAL A 104 5.044 -4.411 -2.166 1.00 63.13 C ATOM 1601 O VAL A 104 4.025 -4.443 -1.481 1.00 42.20 O ATOM 1602 CB VAL A 104 5.730 -2.071 -1.583 1.00 35.33 C ATOM 1603 CG1 VAL A 104 6.725 -2.575 -0.545 1.00 70.11 C ATOM 1604 CG2 VAL A 104 6.166 -0.724 -2.132 1.00 42.11 C ATOM 0 H VAL A 104 3.718 -2.333 -3.363 1.00 73.44 H new ATOM 0 HA VAL A 104 6.530 -3.232 -3.206 1.00 21.43 H new ATOM 0 HB VAL A 104 4.765 -1.950 -1.091 1.00 35.33 H new ATOM 0 HG11 VAL A 104 6.826 -1.837 0.251 1.00 70.11 H new ATOM 0 HG12 VAL A 104 6.368 -3.515 -0.125 1.00 70.11 H new ATOM 0 HG13 VAL A 104 7.694 -2.734 -1.017 1.00 70.11 H new ATOM 0 HG21 VAL A 104 6.282 -0.017 -1.311 1.00 42.11 H new ATOM 0 HG22 VAL A 104 7.117 -0.834 -2.654 1.00 42.11 H new ATOM 0 HG23 VAL A 104 5.412 -0.353 -2.826 1.00 42.11 H new ATOM 1614 N PHE A 105 5.735 -5.487 -2.459 1.00 4.25 N ATOM 1615 CA PHE A 105 5.297 -6.808 -2.039 1.00 53.10 C ATOM 1616 C PHE A 105 5.616 -7.065 -0.573 1.00 14.44 C ATOM 1617 O PHE A 105 6.688 -6.702 -0.082 1.00 32.45 O ATOM 1618 CB PHE A 105 5.941 -7.889 -2.910 1.00 55.15 C ATOM 1619 CG PHE A 105 5.635 -7.754 -4.377 1.00 15.05 C ATOM 1620 CD1 PHE A 105 4.535 -8.390 -4.930 1.00 71.44 C ATOM 1621 CD2 PHE A 105 6.450 -6.993 -5.202 1.00 11.14 C ATOM 1622 CE1 PHE A 105 4.254 -8.269 -6.277 1.00 60.35 C ATOM 1623 CE2 PHE A 105 6.172 -6.869 -6.548 1.00 4.12 C ATOM 1624 CZ PHE A 105 5.074 -7.508 -7.086 1.00 20.32 C ATOM 0 H PHE A 105 6.607 -5.479 -2.988 1.00 4.25 H new ATOM 0 HA PHE A 105 4.215 -6.847 -2.161 1.00 53.10 H new ATOM 0 HB2 PHE A 105 7.022 -7.858 -2.770 1.00 55.15 H new ATOM 0 HB3 PHE A 105 5.603 -8.867 -2.567 1.00 55.15 H new ATOM 0 HD1 PHE A 105 3.891 -8.987 -4.301 1.00 71.44 H new ATOM 0 HD2 PHE A 105 7.312 -6.492 -4.786 1.00 11.14 H new ATOM 0 HE1 PHE A 105 3.394 -8.769 -6.697 1.00 60.35 H new ATOM 0 HE2 PHE A 105 6.813 -6.272 -7.180 1.00 4.12 H new ATOM 0 HZ PHE A 105 4.856 -7.413 -8.139 1.00 20.32 H new ATOM 1634 N THR A 106 4.668 -7.659 0.127 1.00 45.25 N ATOM 1635 CA THR A 106 4.835 -8.022 1.519 1.00 62.12 C ATOM 1636 C THR A 106 3.978 -9.274 1.818 1.00 43.53 C ATOM 1637 O THR A 106 3.222 -9.725 0.955 1.00 13.30 O ATOM 1638 CB THR A 106 4.433 -6.849 2.458 1.00 71.10 C ATOM 1639 OG1 THR A 106 4.875 -5.603 1.889 1.00 21.45 O ATOM 1640 CG2 THR A 106 5.077 -7.000 3.832 1.00 73.03 C ATOM 0 H THR A 106 3.756 -7.904 -0.258 1.00 45.25 H new ATOM 0 HA THR A 106 5.886 -8.243 1.705 1.00 62.12 H new ATOM 0 HB THR A 106 3.348 -6.863 2.566 1.00 71.10 H new ATOM 0 HG1 THR A 106 4.190 -4.917 2.031 1.00 21.45 H new ATOM 0 HG21 THR A 106 4.779 -6.166 4.467 1.00 73.03 H new ATOM 0 HG22 THR A 106 4.752 -7.936 4.285 1.00 73.03 H new ATOM 0 HG23 THR A 106 6.162 -7.006 3.727 1.00 73.03 H new ATOM 1648 N ASP A 107 4.098 -9.820 3.022 1.00 13.11 N ATOM 1649 CA ASP A 107 3.393 -11.053 3.406 1.00 21.03 C ATOM 1650 C ASP A 107 1.866 -10.941 3.318 1.00 23.43 C ATOM 1651 O ASP A 107 1.189 -11.923 3.012 1.00 53.44 O ATOM 1652 CB ASP A 107 3.803 -11.490 4.813 1.00 24.51 C ATOM 1653 CG ASP A 107 5.234 -11.972 4.878 1.00 12.04 C ATOM 1654 OD1 ASP A 107 6.143 -11.136 5.061 1.00 3.05 O ATOM 1655 OD2 ASP A 107 5.463 -13.196 4.743 1.00 11.30 O ATOM 0 H ASP A 107 4.682 -9.429 3.761 1.00 13.11 H new ATOM 0 HA ASP A 107 3.693 -11.808 2.679 1.00 21.03 H new ATOM 0 HB2 ASP A 107 3.673 -10.655 5.501 1.00 24.51 H new ATOM 0 HB3 ASP A 107 3.140 -12.287 5.150 1.00 24.51 H new ATOM 1660 N SER A 108 1.325 -9.765 3.584 1.00 3.11 N ATOM 1661 CA SER A 108 -0.127 -9.582 3.549 1.00 12.24 C ATOM 1662 C SER A 108 -0.642 -9.353 2.123 1.00 73.22 C ATOM 1663 O SER A 108 -1.846 -9.431 1.867 1.00 64.33 O ATOM 1664 CB SER A 108 -0.536 -8.419 4.448 1.00 51.35 C ATOM 1665 OG SER A 108 -0.018 -8.589 5.758 1.00 1.13 O ATOM 0 H SER A 108 1.856 -8.928 3.824 1.00 3.11 H new ATOM 0 HA SER A 108 -0.580 -10.501 3.919 1.00 12.24 H new ATOM 0 HB2 SER A 108 -0.172 -7.482 4.027 1.00 51.35 H new ATOM 0 HB3 SER A 108 -1.623 -8.349 4.488 1.00 51.35 H new ATOM 0 HG SER A 108 -0.290 -7.832 6.318 1.00 1.13 H new ATOM 1671 N GLY A 109 0.264 -9.093 1.204 1.00 55.14 N ATOM 1672 CA GLY A 109 -0.129 -8.829 -0.160 1.00 53.11 C ATOM 1673 C GLY A 109 0.683 -7.716 -0.765 1.00 12.33 C ATOM 1674 O GLY A 109 1.847 -7.524 -0.402 1.00 33.33 O ATOM 0 H GLY A 109 1.269 -9.059 1.376 1.00 55.14 H new ATOM 0 HA2 GLY A 109 -0.008 -9.734 -0.756 1.00 53.11 H new ATOM 0 HA3 GLY A 109 -1.187 -8.567 -0.190 1.00 53.11 H new ATOM 1678 N ILE A 110 0.082 -6.967 -1.665 1.00 21.12 N ATOM 1679 CA ILE A 110 0.781 -5.879 -2.313 1.00 2.13 C ATOM 1680 C ILE A 110 0.437 -4.559 -1.645 1.00 33.51 C ATOM 1681 O ILE A 110 -0.736 -4.250 -1.417 1.00 45.24 O ATOM 1682 CB ILE A 110 0.460 -5.803 -3.825 1.00 12.40 C ATOM 1683 CG1 ILE A 110 0.717 -7.164 -4.490 1.00 24.43 C ATOM 1684 CG2 ILE A 110 1.305 -4.720 -4.490 1.00 44.42 C ATOM 1685 CD1 ILE A 110 0.372 -7.204 -5.965 1.00 41.22 C ATOM 0 H ILE A 110 -0.885 -7.091 -1.963 1.00 21.12 H new ATOM 0 HA ILE A 110 1.849 -6.072 -2.209 1.00 2.13 H new ATOM 0 HB ILE A 110 -0.592 -5.548 -3.948 1.00 12.40 H new ATOM 0 HG12 ILE A 110 1.768 -7.425 -4.366 1.00 24.43 H new ATOM 0 HG13 ILE A 110 0.136 -7.926 -3.971 1.00 24.43 H new ATOM 0 HG21 ILE A 110 1.070 -4.677 -5.553 1.00 44.42 H new ATOM 0 HG22 ILE A 110 1.088 -3.756 -4.031 1.00 44.42 H new ATOM 0 HG23 ILE A 110 2.362 -4.953 -4.361 1.00 44.42 H new ATOM 0 HD11 ILE A 110 0.581 -8.198 -6.361 1.00 41.22 H new ATOM 0 HD12 ILE A 110 -0.686 -6.976 -6.098 1.00 41.22 H new ATOM 0 HD13 ILE A 110 0.972 -6.467 -6.499 1.00 41.22 H new ATOM 1697 N HIS A 111 1.459 -3.804 -1.308 1.00 63.13 N ATOM 1698 CA HIS A 111 1.294 -2.524 -0.657 1.00 32.54 C ATOM 1699 C HIS A 111 1.651 -1.395 -1.590 1.00 55.01 C ATOM 1700 O HIS A 111 2.772 -1.322 -2.074 1.00 53.44 O ATOM 1701 CB HIS A 111 2.185 -2.426 0.587 1.00 42.23 C ATOM 1702 CG HIS A 111 1.813 -3.355 1.688 1.00 25.54 C ATOM 1703 ND1 HIS A 111 2.725 -3.874 2.573 1.00 11.00 N ATOM 1704 CD2 HIS A 111 0.615 -3.823 2.075 1.00 34.42 C ATOM 1705 CE1 HIS A 111 2.101 -4.616 3.460 1.00 33.33 C ATOM 1706 NE2 HIS A 111 0.817 -4.604 3.184 1.00 53.50 N ATOM 0 H HIS A 111 2.431 -4.062 -1.478 1.00 63.13 H new ATOM 0 HA HIS A 111 0.246 -2.442 -0.367 1.00 32.54 H new ATOM 0 HB2 HIS A 111 3.217 -2.623 0.296 1.00 42.23 H new ATOM 0 HB3 HIS A 111 2.150 -1.404 0.964 1.00 42.23 H new ATOM 0 HD2 HIS A 111 -0.334 -3.621 1.600 1.00 34.42 H new ATOM 0 HE1 HIS A 111 2.566 -5.146 4.278 1.00 33.33 H new ATOM 0 HE2 HIS A 111 0.091 -5.094 3.707 1.00 53.50 H new ATOM 1715 N ILE A 112 0.706 -0.532 -1.853 1.00 72.51 N ATOM 1716 CA ILE A 112 0.976 0.650 -2.637 1.00 2.44 C ATOM 1717 C ILE A 112 1.295 1.781 -1.682 1.00 35.41 C ATOM 1718 O ILE A 112 0.444 2.183 -0.894 1.00 71.00 O ATOM 1719 CB ILE A 112 -0.224 1.045 -3.524 1.00 72.24 C ATOM 1720 CG1 ILE A 112 -0.686 -0.153 -4.357 1.00 13.12 C ATOM 1721 CG2 ILE A 112 0.155 2.211 -4.435 1.00 72.34 C ATOM 1722 CD1 ILE A 112 -1.910 0.126 -5.199 1.00 22.41 C ATOM 0 H ILE A 112 -0.259 -0.623 -1.537 1.00 72.51 H new ATOM 0 HA ILE A 112 1.814 0.445 -3.303 1.00 2.44 H new ATOM 0 HB ILE A 112 -1.046 1.358 -2.881 1.00 72.24 H new ATOM 0 HG12 ILE A 112 0.129 -0.466 -5.010 1.00 13.12 H new ATOM 0 HG13 ILE A 112 -0.898 -0.988 -3.689 1.00 13.12 H new ATOM 0 HG21 ILE A 112 -0.700 2.480 -5.056 1.00 72.34 H new ATOM 0 HG22 ILE A 112 0.447 3.068 -3.827 1.00 72.34 H new ATOM 0 HG23 ILE A 112 0.989 1.918 -5.073 1.00 72.34 H new ATOM 0 HD11 ILE A 112 -2.177 -0.769 -5.761 1.00 22.41 H new ATOM 0 HD12 ILE A 112 -2.740 0.409 -4.552 1.00 22.41 H new ATOM 0 HD13 ILE A 112 -1.697 0.939 -5.893 1.00 22.41 H new ATOM 1734 N ILE A 113 2.517 2.278 -1.727 1.00 41.20 N ATOM 1735 CA ILE A 113 2.934 3.304 -0.787 1.00 42.50 C ATOM 1736 C ILE A 113 3.105 4.659 -1.466 1.00 32.52 C ATOM 1737 O ILE A 113 3.764 4.774 -2.512 1.00 54.44 O ATOM 1738 CB ILE A 113 4.255 2.916 -0.073 1.00 33.31 C ATOM 1739 CG1 ILE A 113 4.143 1.508 0.529 1.00 61.24 C ATOM 1740 CG2 ILE A 113 4.589 3.933 1.016 1.00 44.15 C ATOM 1741 CD1 ILE A 113 5.410 1.028 1.207 1.00 72.14 C ATOM 0 H ILE A 113 3.232 1.993 -2.396 1.00 41.20 H new ATOM 0 HA ILE A 113 2.139 3.384 -0.045 1.00 42.50 H new ATOM 0 HB ILE A 113 5.060 2.917 -0.808 1.00 33.31 H new ATOM 0 HG12 ILE A 113 3.328 1.497 1.253 1.00 61.24 H new ATOM 0 HG13 ILE A 113 3.877 0.806 -0.261 1.00 61.24 H new ATOM 0 HG21 ILE A 113 5.519 3.647 1.508 1.00 44.15 H new ATOM 0 HG22 ILE A 113 4.704 4.920 0.569 1.00 44.15 H new ATOM 0 HG23 ILE A 113 3.783 3.958 1.750 1.00 44.15 H new ATOM 0 HD11 ILE A 113 5.252 0.026 1.607 1.00 72.14 H new ATOM 0 HD12 ILE A 113 6.224 1.005 0.483 1.00 72.14 H new ATOM 0 HD13 ILE A 113 5.667 1.707 2.020 1.00 72.14 H new ATOM 1753 N LEU A 114 2.505 5.671 -0.862 1.00 50.42 N ATOM 1754 CA LEU A 114 2.573 7.040 -1.339 1.00 75.21 C ATOM 1755 C LEU A 114 3.015 7.940 -0.187 1.00 53.31 C ATOM 1756 O LEU A 114 2.403 7.932 0.883 1.00 25.01 O ATOM 1757 CB LEU A 114 1.183 7.466 -1.887 1.00 52.44 C ATOM 1758 CG LEU A 114 1.043 8.876 -2.520 1.00 20.42 C ATOM 1759 CD1 LEU A 114 0.952 9.966 -1.463 1.00 13.21 C ATOM 1760 CD2 LEU A 114 2.184 9.157 -3.481 1.00 63.22 C ATOM 0 H LEU A 114 1.949 5.562 -0.014 1.00 50.42 H new ATOM 0 HA LEU A 114 3.297 7.129 -2.149 1.00 75.21 H new ATOM 0 HB2 LEU A 114 0.882 6.734 -2.636 1.00 52.44 H new ATOM 0 HB3 LEU A 114 0.467 7.397 -1.068 1.00 52.44 H new ATOM 0 HG LEU A 114 0.109 8.884 -3.081 1.00 20.42 H new ATOM 0 HD11 LEU A 114 0.855 10.937 -1.949 1.00 13.21 H new ATOM 0 HD12 LEU A 114 0.082 9.788 -0.831 1.00 13.21 H new ATOM 0 HD13 LEU A 114 1.854 9.955 -0.851 1.00 13.21 H new ATOM 0 HD21 LEU A 114 2.061 10.151 -3.910 1.00 63.22 H new ATOM 0 HD22 LEU A 114 3.132 9.107 -2.945 1.00 63.22 H new ATOM 0 HD23 LEU A 114 2.179 8.414 -4.279 1.00 63.22 H new ATOM 1772 N ARG A 115 4.080 8.692 -0.396 1.00 72.11 N ATOM 1773 CA ARG A 115 4.588 9.589 0.634 1.00 2.03 C ATOM 1774 C ARG A 115 3.779 10.880 0.656 1.00 15.15 C ATOM 1775 O ARG A 115 3.869 11.693 -0.271 1.00 12.40 O ATOM 1776 CB ARG A 115 6.058 9.907 0.383 1.00 34.44 C ATOM 1777 CG ARG A 115 6.662 10.884 1.382 1.00 4.31 C ATOM 1778 CD ARG A 115 7.081 10.202 2.667 1.00 51.11 C ATOM 1779 NE ARG A 115 7.539 11.169 3.659 1.00 34.13 N ATOM 1780 CZ ARG A 115 8.808 11.358 4.020 1.00 2.21 C ATOM 1781 NH1 ARG A 115 9.783 10.664 3.453 1.00 41.11 N ATOM 1782 NH2 ARG A 115 9.094 12.271 4.938 1.00 64.40 N ATOM 0 H ARG A 115 4.611 8.702 -1.267 1.00 72.11 H new ATOM 0 HA ARG A 115 4.493 9.093 1.600 1.00 2.03 H new ATOM 0 HB2 ARG A 115 6.629 8.979 0.408 1.00 34.44 H new ATOM 0 HB3 ARG A 115 6.163 10.319 -0.621 1.00 34.44 H new ATOM 0 HG2 ARG A 115 7.527 11.372 0.933 1.00 4.31 H new ATOM 0 HG3 ARG A 115 5.936 11.666 1.607 1.00 4.31 H new ATOM 0 HD2 ARG A 115 6.242 9.635 3.070 1.00 51.11 H new ATOM 0 HD3 ARG A 115 7.877 9.488 2.458 1.00 51.11 H new ATOM 0 HE ARG A 115 6.831 11.747 4.113 1.00 34.13 H new ATOM 0 HH11 ARG A 115 9.567 9.976 2.732 1.00 41.11 H new ATOM 0 HH12 ARG A 115 10.750 10.817 3.738 1.00 41.11 H new ATOM 0 HH21 ARG A 115 8.346 12.821 5.361 1.00 64.40 H new ATOM 0 HH22 ARG A 115 10.062 12.424 5.221 1.00 64.40 H new ATOM 1796 N THR A 116 2.995 11.066 1.705 1.00 13.40 N ATOM 1797 CA THR A 116 2.166 12.243 1.828 1.00 15.03 C ATOM 1798 C THR A 116 2.965 13.442 2.345 1.00 61.14 C ATOM 1799 O THR A 116 2.860 14.544 1.810 1.00 12.34 O ATOM 1800 CB THR A 116 0.943 11.971 2.730 1.00 53.43 C ATOM 1801 OG1 THR A 116 1.334 11.170 3.855 1.00 74.24 O ATOM 1802 CG2 THR A 116 -0.142 11.247 1.949 1.00 10.43 C ATOM 0 H THR A 116 2.919 10.412 2.484 1.00 13.40 H new ATOM 0 HA THR A 116 1.804 12.490 0.830 1.00 15.03 H new ATOM 0 HB THR A 116 0.552 12.927 3.080 1.00 53.43 H new ATOM 0 HG1 THR A 116 0.535 10.813 4.296 1.00 74.24 H new ATOM 0 HG21 THR A 116 -0.997 11.063 2.599 1.00 10.43 H new ATOM 0 HG22 THR A 116 -0.454 11.862 1.105 1.00 10.43 H new ATOM 0 HG23 THR A 116 0.246 10.297 1.582 1.00 10.43 H new ATOM 1810 N GLU A 117 3.765 13.222 3.377 1.00 14.35 N ATOM 1811 CA GLU A 117 4.615 14.273 3.919 1.00 2.51 C ATOM 1812 C GLU A 117 6.013 13.757 4.139 1.00 53.21 C ATOM 1813 O GLU A 117 6.897 14.073 3.333 1.00 0.00 O ATOM 1814 CB GLU A 117 4.069 14.832 5.229 1.00 3.12 C ATOM 1815 CG GLU A 117 2.810 15.661 5.092 1.00 5.24 C ATOM 1816 CD GLU A 117 2.493 16.399 6.367 1.00 22.31 C ATOM 1817 OE1 GLU A 117 2.744 17.620 6.430 1.00 2.34 O ATOM 1818 OE2 GLU A 117 2.022 15.758 7.330 1.00 12.21 O ATOM 1819 OXT GLU A 117 6.225 13.012 5.124 1.00 0.00 O ATOM 0 H GLU A 117 3.844 12.325 3.857 1.00 14.35 H new ATOM 0 HA GLU A 117 4.631 15.080 3.187 1.00 2.51 H new ATOM 0 HB2 GLU A 117 3.868 14.002 5.906 1.00 3.12 H new ATOM 0 HB3 GLU A 117 4.841 15.444 5.696 1.00 3.12 H new ATOM 0 HG2 GLU A 117 2.930 16.375 4.277 1.00 5.24 H new ATOM 0 HG3 GLU A 117 1.974 15.014 4.828 1.00 5.24 H new