USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 863 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 102 ASN : amide:sc= -0.0133 X(o=-0.87,f=-0.53) USER MOD Set 1.2: A 103 GLN : amide:sc= -0.856 X(o=-0.87,f=-0.53) USER MOD Set 2.1: A 73 SER OG : rot 180:sc= -0.107 USER MOD Set 2.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 41 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 42 SER OG : rot 13:sc= 0.805 USER MOD Single : A 13 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-3.1!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 31 SER OG : rot 24:sc= -3.19! USER MOD Single : A 32 HIS : no HD1:sc= -0.0794 X(o=-0.079,f=-0.087) USER MOD Single : A 33 MET CE :methyl -165:sc= -1.58 (180deg=-1.98) USER MOD Single : A 46 HIS :FLIP no HD1:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -117:sc= -0.209 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -4.18! C(o=-4.2!,f=-4.2!) USER MOD Single : A 59 HIS : no HD1:sc= -0.336 K(o=-0.34,f=-5.2!) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0915) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00546) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -138:sc= -2.5! USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= -0.0151 (180deg=-0.146) USER MOD Single : A 78 ASN : amide:sc= -0.0512 X(o=-0.051,f=-0.51) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0641 K(o=-0.064,f=-0.63) USER MOD Single : A 89 GLN : amide:sc= -0.0442 X(o=-0.044,f=-0.066) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -140:sc= 1.12 (180deg=-0.0942!) USER MOD ----------------------------------------------------------------- ATOM 137 N GLU A 9 -15.889 1.236 -6.946 1.00 10.01 N ATOM 138 CA GLU A 9 -15.254 2.493 -6.536 1.00 52.45 C ATOM 139 C GLU A 9 -14.045 2.211 -5.684 1.00 32.42 C ATOM 140 O GLU A 9 -14.135 2.083 -4.456 1.00 4.44 O ATOM 141 CB GLU A 9 -16.222 3.466 -5.846 1.00 62.44 C ATOM 142 CG GLU A 9 -17.447 3.808 -6.681 1.00 44.30 C ATOM 143 CD GLU A 9 -17.105 4.373 -8.046 1.00 54.11 C ATOM 144 OE1 GLU A 9 -16.954 5.609 -8.176 1.00 0.24 O ATOM 145 OE2 GLU A 9 -17.000 3.585 -9.020 1.00 53.45 O ATOM 0 HA GLU A 9 -14.932 3.001 -7.445 1.00 52.45 H new ATOM 0 HB2 GLU A 9 -16.548 3.031 -4.901 1.00 62.44 H new ATOM 0 HB3 GLU A 9 -15.689 4.386 -5.606 1.00 62.44 H new ATOM 0 HG2 GLU A 9 -18.053 2.911 -6.808 1.00 44.30 H new ATOM 0 HG3 GLU A 9 -18.057 4.531 -6.139 1.00 44.30 H new ATOM 152 N LEU A 10 -12.926 2.060 -6.332 1.00 55.43 N ATOM 153 CA LEU A 10 -11.730 1.666 -5.659 1.00 11.04 C ATOM 154 C LEU A 10 -10.587 2.564 -6.020 1.00 74.34 C ATOM 155 O LEU A 10 -10.231 2.704 -7.199 1.00 44.32 O ATOM 156 CB LEU A 10 -11.373 0.232 -6.042 1.00 13.33 C ATOM 157 CG LEU A 10 -12.428 -0.831 -5.758 1.00 64.13 C ATOM 158 CD1 LEU A 10 -11.961 -2.182 -6.256 1.00 54.32 C ATOM 159 CD2 LEU A 10 -12.733 -0.888 -4.274 1.00 42.30 C ATOM 0 H LEU A 10 -12.821 2.206 -7.336 1.00 55.43 H new ATOM 0 HA LEU A 10 -11.908 1.737 -4.586 1.00 11.04 H new ATOM 0 HB2 LEU A 10 -11.145 0.210 -7.108 1.00 13.33 H new ATOM 0 HB3 LEU A 10 -10.460 -0.044 -5.515 1.00 13.33 H new ATOM 0 HG LEU A 10 -13.342 -0.565 -6.288 1.00 64.13 H new ATOM 0 HD11 LEU A 10 -12.725 -2.931 -6.046 1.00 54.32 H new ATOM 0 HD12 LEU A 10 -11.786 -2.133 -7.331 1.00 54.32 H new ATOM 0 HD13 LEU A 10 -11.035 -2.456 -5.750 1.00 54.32 H new ATOM 0 HD21 LEU A 10 -13.488 -1.652 -4.087 1.00 42.30 H new ATOM 0 HD22 LEU A 10 -11.824 -1.134 -3.725 1.00 42.30 H new ATOM 0 HD23 LEU A 10 -13.106 0.081 -3.942 1.00 42.30 H new ATOM 171 N GLU A 11 -10.010 3.171 -5.032 1.00 45.20 N ATOM 172 CA GLU A 11 -8.830 3.959 -5.238 1.00 4.32 C ATOM 173 C GLU A 11 -7.794 3.524 -4.267 1.00 61.31 C ATOM 174 O GLU A 11 -7.929 3.724 -3.079 1.00 21.44 O ATOM 175 CB GLU A 11 -9.081 5.462 -5.069 1.00 31.30 C ATOM 176 CG GLU A 11 -10.001 6.075 -6.099 1.00 24.33 C ATOM 177 CD GLU A 11 -10.152 7.561 -5.906 1.00 5.02 C ATOM 178 OE1 GLU A 11 -9.206 8.318 -6.231 1.00 12.03 O ATOM 179 OE2 GLU A 11 -11.213 8.000 -5.414 1.00 11.44 O ATOM 0 H GLU A 11 -10.337 3.137 -4.067 1.00 45.20 H new ATOM 0 HA GLU A 11 -8.503 3.803 -6.266 1.00 4.32 H new ATOM 0 HB2 GLU A 11 -9.502 5.636 -4.079 1.00 31.30 H new ATOM 0 HB3 GLU A 11 -8.123 5.981 -5.104 1.00 31.30 H new ATOM 0 HG2 GLU A 11 -9.611 5.877 -7.097 1.00 24.33 H new ATOM 0 HG3 GLU A 11 -10.980 5.600 -6.039 1.00 24.33 H new ATOM 186 N VAL A 12 -6.769 2.939 -4.753 1.00 44.03 N ATOM 187 CA VAL A 12 -5.706 2.515 -3.911 1.00 34.02 C ATOM 188 C VAL A 12 -4.469 3.151 -4.458 1.00 75.02 C ATOM 189 O VAL A 12 -4.126 2.945 -5.617 1.00 51.22 O ATOM 190 CB VAL A 12 -5.576 0.968 -3.892 1.00 21.35 C ATOM 191 CG1 VAL A 12 -4.541 0.528 -2.887 1.00 33.10 C ATOM 192 CG2 VAL A 12 -6.915 0.315 -3.578 1.00 62.13 C ATOM 0 H VAL A 12 -6.637 2.737 -5.744 1.00 44.03 H new ATOM 0 HA VAL A 12 -5.884 2.813 -2.878 1.00 34.02 H new ATOM 0 HB VAL A 12 -5.256 0.650 -4.884 1.00 21.35 H new ATOM 0 HG11 VAL A 12 -4.468 -0.560 -2.892 1.00 33.10 H new ATOM 0 HG12 VAL A 12 -3.574 0.958 -3.149 1.00 33.10 H new ATOM 0 HG13 VAL A 12 -4.832 0.867 -1.893 1.00 33.10 H new ATOM 0 HG21 VAL A 12 -6.798 -0.769 -3.570 1.00 62.13 H new ATOM 0 HG22 VAL A 12 -7.263 0.650 -2.601 1.00 62.13 H new ATOM 0 HG23 VAL A 12 -7.644 0.596 -4.338 1.00 62.13 H new ATOM 202 N HIS A 13 -3.820 3.942 -3.652 1.00 21.13 N ATOM 203 CA HIS A 13 -2.715 4.739 -4.127 1.00 31.42 C ATOM 204 C HIS A 13 -1.845 5.189 -2.969 1.00 52.34 C ATOM 205 O HIS A 13 -2.204 4.977 -1.814 1.00 44.13 O ATOM 206 CB HIS A 13 -3.236 5.956 -4.942 1.00 33.43 C ATOM 207 CG HIS A 13 -4.054 6.943 -4.162 1.00 34.50 C ATOM 208 ND1 HIS A 13 -3.618 8.206 -3.874 1.00 53.21 N ATOM 209 CD2 HIS A 13 -5.290 6.843 -3.622 1.00 21.55 C ATOM 210 CE1 HIS A 13 -4.536 8.839 -3.192 1.00 24.10 C ATOM 211 NE2 HIS A 13 -5.562 8.037 -3.023 1.00 51.32 N ATOM 0 H HIS A 13 -4.034 4.055 -2.661 1.00 21.13 H new ATOM 0 HA HIS A 13 -2.102 4.126 -4.788 1.00 31.42 H new ATOM 0 HB2 HIS A 13 -2.381 6.477 -5.374 1.00 33.43 H new ATOM 0 HB3 HIS A 13 -3.837 5.586 -5.773 1.00 33.43 H new ATOM 0 HD2 HIS A 13 -5.939 5.980 -3.658 1.00 21.55 H new ATOM 0 HE1 HIS A 13 -4.463 9.853 -2.828 1.00 24.10 H new ATOM 0 HE2 HIS A 13 -6.421 8.269 -2.525 1.00 51.32 H new ATOM 220 N ILE A 14 -0.724 5.812 -3.268 1.00 1.14 N ATOM 221 CA ILE A 14 0.202 6.260 -2.245 1.00 11.22 C ATOM 222 C ILE A 14 0.284 7.791 -2.264 1.00 52.33 C ATOM 223 O ILE A 14 1.025 8.374 -3.061 1.00 61.05 O ATOM 224 CB ILE A 14 1.624 5.659 -2.454 1.00 1.53 C ATOM 225 CG1 ILE A 14 1.550 4.128 -2.496 1.00 42.30 C ATOM 226 CG2 ILE A 14 2.559 6.112 -1.333 1.00 63.22 C ATOM 227 CD1 ILE A 14 2.883 3.443 -2.742 1.00 51.14 C ATOM 0 H ILE A 14 -0.429 6.022 -4.221 1.00 1.14 H new ATOM 0 HA ILE A 14 -0.170 5.916 -1.280 1.00 11.22 H new ATOM 0 HB ILE A 14 2.019 6.017 -3.405 1.00 1.53 H new ATOM 0 HG12 ILE A 14 1.140 3.770 -1.552 1.00 42.30 H new ATOM 0 HG13 ILE A 14 0.853 3.831 -3.279 1.00 42.30 H new ATOM 0 HG21 ILE A 14 3.550 5.685 -1.491 1.00 63.22 H new ATOM 0 HG22 ILE A 14 2.628 7.200 -1.334 1.00 63.22 H new ATOM 0 HG23 ILE A 14 2.167 5.774 -0.374 1.00 63.22 H new ATOM 0 HD11 ILE A 14 2.740 2.363 -2.756 1.00 51.14 H new ATOM 0 HD12 ILE A 14 3.288 3.768 -3.700 1.00 51.14 H new ATOM 0 HD13 ILE A 14 3.580 3.706 -1.946 1.00 51.14 H new ATOM 239 N PRO A 15 -0.509 8.468 -1.418 1.00 34.20 N ATOM 240 CA PRO A 15 -0.559 9.929 -1.385 1.00 0.21 C ATOM 241 C PRO A 15 0.595 10.573 -0.605 1.00 13.10 C ATOM 242 O PRO A 15 0.861 11.765 -0.759 1.00 65.04 O ATOM 243 CB PRO A 15 -1.889 10.211 -0.694 1.00 3.33 C ATOM 244 CG PRO A 15 -2.094 9.048 0.217 1.00 43.22 C ATOM 245 CD PRO A 15 -1.447 7.861 -0.445 1.00 45.35 C ATOM 0 HA PRO A 15 -0.467 10.350 -2.386 1.00 0.21 H new ATOM 0 HB2 PRO A 15 -1.856 11.148 -0.139 1.00 3.33 H new ATOM 0 HB3 PRO A 15 -2.701 10.297 -1.416 1.00 3.33 H new ATOM 0 HG2 PRO A 15 -1.648 9.238 1.193 1.00 43.22 H new ATOM 0 HG3 PRO A 15 -3.156 8.868 0.382 1.00 43.22 H new ATOM 0 HD2 PRO A 15 -0.924 7.235 0.278 1.00 45.35 H new ATOM 0 HD3 PRO A 15 -2.183 7.228 -0.940 1.00 45.35 H new ATOM 253 N SER A 16 1.275 9.798 0.214 1.00 14.10 N ATOM 254 CA SER A 16 2.339 10.336 1.028 1.00 21.40 C ATOM 255 C SER A 16 3.339 9.263 1.458 1.00 14.30 C ATOM 256 O SER A 16 2.992 8.074 1.558 1.00 75.12 O ATOM 257 CB SER A 16 1.733 11.078 2.234 1.00 65.35 C ATOM 258 OG SER A 16 0.741 10.287 2.884 1.00 64.21 O ATOM 0 H SER A 16 1.109 8.798 0.332 1.00 14.10 H new ATOM 0 HA SER A 16 2.909 11.046 0.429 1.00 21.40 H new ATOM 0 HB2 SER A 16 2.522 11.330 2.943 1.00 65.35 H new ATOM 0 HB3 SER A 16 1.292 12.017 1.901 1.00 65.35 H new ATOM 0 HG SER A 16 0.375 10.783 3.646 1.00 64.21 H new ATOM 264 N VAL A 17 4.591 9.677 1.669 1.00 73.32 N ATOM 265 CA VAL A 17 5.664 8.791 2.124 1.00 52.54 C ATOM 266 C VAL A 17 6.599 9.605 2.985 1.00 64.40 C ATOM 267 O VAL A 17 6.829 10.792 2.702 1.00 51.41 O ATOM 268 CB VAL A 17 6.530 8.213 0.959 1.00 44.11 C ATOM 269 CG1 VAL A 17 7.513 7.158 1.470 1.00 12.23 C ATOM 270 CG2 VAL A 17 5.695 7.681 -0.182 1.00 4.12 C ATOM 0 H VAL A 17 4.890 10.642 1.528 1.00 73.32 H new ATOM 0 HA VAL A 17 5.191 7.959 2.646 1.00 52.54 H new ATOM 0 HB VAL A 17 7.106 9.046 0.557 1.00 44.11 H new ATOM 0 HG11 VAL A 17 8.101 6.775 0.636 1.00 12.23 H new ATOM 0 HG12 VAL A 17 8.178 7.607 2.207 1.00 12.23 H new ATOM 0 HG13 VAL A 17 6.961 6.339 1.931 1.00 12.23 H new ATOM 0 HG21 VAL A 17 6.350 7.293 -0.962 1.00 4.12 H new ATOM 0 HG22 VAL A 17 5.050 6.881 0.181 1.00 4.12 H new ATOM 0 HG23 VAL A 17 5.082 8.485 -0.590 1.00 4.12 H new ATOM 280 N GLY A 18 7.140 8.997 3.996 1.00 10.42 N ATOM 281 CA GLY A 18 8.063 9.672 4.840 1.00 73.21 C ATOM 282 C GLY A 18 9.117 8.722 5.326 1.00 23.12 C ATOM 283 O GLY A 18 8.946 7.505 5.215 1.00 70.25 O ATOM 0 H GLY A 18 6.953 8.028 4.253 1.00 10.42 H new ATOM 0 HA2 GLY A 18 8.528 10.495 4.297 1.00 73.21 H new ATOM 0 HA3 GLY A 18 7.537 10.108 5.690 1.00 73.21 H new ATOM 287 N PRO A 19 10.251 9.214 5.796 1.00 72.45 N ATOM 288 CA PRO A 19 11.230 8.362 6.419 1.00 45.33 C ATOM 289 C PRO A 19 10.716 7.954 7.803 1.00 12.31 C ATOM 290 O PRO A 19 10.170 8.789 8.543 1.00 73.30 O ATOM 291 CB PRO A 19 12.476 9.243 6.528 1.00 11.33 C ATOM 292 CG PRO A 19 11.974 10.650 6.501 1.00 13.22 C ATOM 293 CD PRO A 19 10.669 10.630 5.747 1.00 13.20 C ATOM 0 HA PRO A 19 11.435 7.445 5.867 1.00 45.33 H new ATOM 0 HB2 PRO A 19 13.022 9.039 7.449 1.00 11.33 H new ATOM 0 HB3 PRO A 19 13.163 9.055 5.703 1.00 11.33 H new ATOM 0 HG2 PRO A 19 11.831 11.029 7.513 1.00 13.22 H new ATOM 0 HG3 PRO A 19 12.693 11.308 6.013 1.00 13.22 H new ATOM 0 HD2 PRO A 19 9.929 11.281 6.212 1.00 13.20 H new ATOM 0 HD3 PRO A 19 10.796 10.974 4.720 1.00 13.20 H new ATOM 301 N GLU A 20 10.835 6.698 8.141 1.00 24.21 N ATOM 302 CA GLU A 20 10.337 6.244 9.422 1.00 40.15 C ATOM 303 C GLU A 20 11.429 6.452 10.456 1.00 32.35 C ATOM 304 O GLU A 20 11.506 7.511 11.094 1.00 13.13 O ATOM 305 CB GLU A 20 9.871 4.765 9.325 1.00 74.31 C ATOM 306 CG GLU A 20 8.982 4.240 10.467 1.00 10.54 C ATOM 307 CD GLU A 20 9.659 4.127 11.810 1.00 65.22 C ATOM 308 OE1 GLU A 20 10.271 3.087 12.072 1.00 64.35 O ATOM 309 OE2 GLU A 20 9.556 5.065 12.629 1.00 64.14 O ATOM 0 H GLU A 20 11.265 5.977 7.561 1.00 24.21 H new ATOM 0 HA GLU A 20 9.462 6.818 9.727 1.00 40.15 H new ATOM 0 HB2 GLU A 20 9.328 4.641 8.388 1.00 74.31 H new ATOM 0 HB3 GLU A 20 10.757 4.133 9.267 1.00 74.31 H new ATOM 0 HG2 GLU A 20 8.120 4.900 10.567 1.00 10.54 H new ATOM 0 HG3 GLU A 20 8.601 3.258 10.187 1.00 10.54 H new ATOM 465 N SER A 31 13.526 -0.493 8.132 1.00 15.25 N ATOM 466 CA SER A 31 12.428 0.388 7.925 1.00 24.32 C ATOM 467 C SER A 31 12.934 1.827 7.852 1.00 50.44 C ATOM 468 O SER A 31 13.020 2.493 8.870 1.00 12.30 O ATOM 469 CB SER A 31 11.480 0.275 9.133 1.00 5.23 C ATOM 470 OG SER A 31 11.291 -1.088 9.512 1.00 2.41 O ATOM 0 HA SER A 31 11.916 0.126 6.999 1.00 24.32 H new ATOM 0 HB2 SER A 31 11.888 0.836 9.973 1.00 5.23 H new ATOM 0 HB3 SER A 31 10.518 0.724 8.887 1.00 5.23 H new ATOM 0 HG SER A 31 12.054 -1.622 9.205 1.00 2.41 H new ATOM 476 N HIS A 32 13.307 2.301 6.679 1.00 35.41 N ATOM 477 CA HIS A 32 13.720 3.690 6.591 1.00 21.11 C ATOM 478 C HIS A 32 12.860 4.428 5.559 1.00 54.14 C ATOM 479 O HIS A 32 12.950 5.645 5.393 1.00 32.11 O ATOM 480 CB HIS A 32 15.218 3.792 6.236 1.00 22.22 C ATOM 481 CG HIS A 32 15.762 5.205 6.221 1.00 35.44 C ATOM 482 ND1 HIS A 32 16.367 5.770 5.129 1.00 5.22 N ATOM 483 CD2 HIS A 32 15.799 6.150 7.190 1.00 14.10 C ATOM 484 CE1 HIS A 32 16.751 6.996 5.422 1.00 75.21 C ATOM 485 NE2 HIS A 32 16.416 7.249 6.663 1.00 72.24 N ATOM 0 H HIS A 32 13.334 1.772 5.807 1.00 35.41 H new ATOM 0 HA HIS A 32 13.575 4.162 7.563 1.00 21.11 H new ATOM 0 HB2 HIS A 32 15.790 3.203 6.953 1.00 22.22 H new ATOM 0 HB3 HIS A 32 15.378 3.344 5.256 1.00 22.22 H new ATOM 0 HD2 HIS A 32 15.412 6.053 8.194 1.00 14.10 H new ATOM 0 HE1 HIS A 32 17.256 7.677 4.753 1.00 75.21 H new ATOM 0 HE2 HIS A 32 16.588 8.125 7.156 1.00 72.24 H new ATOM 494 N MET A 33 11.990 3.690 4.933 1.00 0.32 N ATOM 495 CA MET A 33 11.070 4.212 3.954 1.00 61.25 C ATOM 496 C MET A 33 9.703 3.727 4.328 1.00 52.22 C ATOM 497 O MET A 33 9.436 2.518 4.267 1.00 11.21 O ATOM 498 CB MET A 33 11.400 3.677 2.547 1.00 11.34 C ATOM 499 CG MET A 33 10.467 4.193 1.436 1.00 23.13 C ATOM 500 SD MET A 33 11.068 5.671 0.542 1.00 65.23 S ATOM 501 CE MET A 33 11.380 6.865 1.827 1.00 21.45 C ATOM 0 H MET A 33 11.895 2.687 5.089 1.00 0.32 H new ATOM 0 HA MET A 33 11.133 5.300 3.937 1.00 61.25 H new ATOM 0 HB2 MET A 33 12.426 3.950 2.299 1.00 11.34 H new ATOM 0 HB3 MET A 33 11.355 2.588 2.566 1.00 11.34 H new ATOM 0 HG2 MET A 33 10.308 3.391 0.715 1.00 23.13 H new ATOM 0 HG3 MET A 33 9.497 4.423 1.876 1.00 23.13 H new ATOM 0 HE1 MET A 33 11.486 7.856 1.385 1.00 21.45 H new ATOM 0 HE2 MET A 33 10.547 6.869 2.530 1.00 21.45 H new ATOM 0 HE3 MET A 33 12.298 6.602 2.353 1.00 21.45 H new ATOM 511 N VAL A 34 8.853 4.612 4.742 1.00 13.04 N ATOM 512 CA VAL A 34 7.535 4.209 5.100 1.00 24.13 C ATOM 513 C VAL A 34 6.499 4.962 4.268 1.00 62.11 C ATOM 514 O VAL A 34 6.320 6.185 4.401 1.00 23.43 O ATOM 515 CB VAL A 34 7.281 4.333 6.639 1.00 72.41 C ATOM 516 CG1 VAL A 34 7.382 5.760 7.151 1.00 32.13 C ATOM 517 CG2 VAL A 34 5.972 3.725 7.028 1.00 75.24 C ATOM 0 H VAL A 34 9.047 5.609 4.839 1.00 13.04 H new ATOM 0 HA VAL A 34 7.430 3.149 4.868 1.00 24.13 H new ATOM 0 HB VAL A 34 8.083 3.771 7.118 1.00 72.41 H new ATOM 0 HG11 VAL A 34 7.195 5.775 8.225 1.00 32.13 H new ATOM 0 HG12 VAL A 34 8.380 6.149 6.951 1.00 32.13 H new ATOM 0 HG13 VAL A 34 6.643 6.381 6.645 1.00 32.13 H new ATOM 0 HG21 VAL A 34 5.828 3.829 8.103 1.00 75.24 H new ATOM 0 HG22 VAL A 34 5.164 4.234 6.503 1.00 75.24 H new ATOM 0 HG23 VAL A 34 5.968 2.668 6.762 1.00 75.24 H new ATOM 527 N PHE A 35 5.859 4.254 3.374 1.00 10.34 N ATOM 528 CA PHE A 35 4.855 4.861 2.558 1.00 73.45 C ATOM 529 C PHE A 35 3.482 4.556 3.036 1.00 41.22 C ATOM 530 O PHE A 35 3.229 3.503 3.634 1.00 45.43 O ATOM 531 CB PHE A 35 5.030 4.635 1.042 1.00 35.53 C ATOM 532 CG PHE A 35 5.252 3.241 0.566 1.00 5.14 C ATOM 533 CD1 PHE A 35 4.341 2.238 0.815 1.00 73.13 C ATOM 534 CD2 PHE A 35 6.377 2.951 -0.182 1.00 44.10 C ATOM 535 CE1 PHE A 35 4.550 0.966 0.336 1.00 44.14 C ATOM 536 CE2 PHE A 35 6.593 1.687 -0.658 1.00 51.42 C ATOM 537 CZ PHE A 35 5.684 0.694 -0.400 1.00 61.55 C ATOM 0 H PHE A 35 6.018 3.262 3.197 1.00 10.34 H new ATOM 0 HA PHE A 35 5.005 5.934 2.682 1.00 73.45 H new ATOM 0 HB2 PHE A 35 4.142 5.022 0.542 1.00 35.53 H new ATOM 0 HB3 PHE A 35 5.873 5.240 0.709 1.00 35.53 H new ATOM 0 HD1 PHE A 35 3.454 2.453 1.392 1.00 73.13 H new ATOM 0 HD2 PHE A 35 7.094 3.731 -0.393 1.00 44.10 H new ATOM 0 HE1 PHE A 35 3.831 0.185 0.535 1.00 44.14 H new ATOM 0 HE2 PHE A 35 7.479 1.472 -1.237 1.00 51.42 H new ATOM 0 HZ PHE A 35 5.856 -0.304 -0.774 1.00 61.55 H new ATOM 547 N ARG A 36 2.604 5.469 2.804 1.00 41.11 N ATOM 548 CA ARG A 36 1.272 5.356 3.276 1.00 32.11 C ATOM 549 C ARG A 36 0.413 4.879 2.112 1.00 11.35 C ATOM 550 O ARG A 36 0.161 5.638 1.178 1.00 51.42 O ATOM 551 CB ARG A 36 0.764 6.734 3.730 1.00 10.12 C ATOM 552 CG ARG A 36 1.800 7.658 4.405 1.00 34.15 C ATOM 553 CD ARG A 36 2.433 7.109 5.671 1.00 45.43 C ATOM 554 NE ARG A 36 3.471 8.043 6.156 1.00 15.31 N ATOM 555 CZ ARG A 36 4.228 7.906 7.264 1.00 31.14 C ATOM 556 NH1 ARG A 36 4.011 6.907 8.128 1.00 14.03 N ATOM 557 NH2 ARG A 36 5.186 8.796 7.517 1.00 21.02 N ATOM 0 H ARG A 36 2.794 6.321 2.277 1.00 41.11 H new ATOM 0 HA ARG A 36 1.225 4.662 4.115 1.00 32.11 H new ATOM 0 HB2 ARG A 36 0.359 7.252 2.861 1.00 10.12 H new ATOM 0 HB3 ARG A 36 -0.062 6.582 4.424 1.00 10.12 H new ATOM 0 HG2 ARG A 36 2.591 7.874 3.687 1.00 34.15 H new ATOM 0 HG3 ARG A 36 1.317 8.606 4.642 1.00 34.15 H new ATOM 0 HD2 ARG A 36 1.671 6.967 6.438 1.00 45.43 H new ATOM 0 HD3 ARG A 36 2.873 6.131 5.474 1.00 45.43 H new ATOM 0 HE ARG A 36 3.632 8.879 5.594 1.00 15.31 H new ATOM 0 HH11 ARG A 36 3.264 6.235 7.953 1.00 14.03 H new ATOM 0 HH12 ARG A 36 4.593 6.818 8.961 1.00 14.03 H new ATOM 0 HH21 ARG A 36 5.342 9.573 6.875 1.00 21.02 H new ATOM 0 HH22 ARG A 36 5.763 8.700 8.352 1.00 21.02 H new ATOM 571 N VAL A 37 0.010 3.636 2.132 1.00 32.31 N ATOM 572 CA VAL A 37 -0.825 3.120 1.081 1.00 73.21 C ATOM 573 C VAL A 37 -2.289 3.334 1.450 1.00 1.21 C ATOM 574 O VAL A 37 -2.787 2.812 2.447 1.00 42.24 O ATOM 575 CB VAL A 37 -0.509 1.620 0.686 1.00 31.42 C ATOM 576 CG1 VAL A 37 0.920 1.481 0.214 1.00 12.32 C ATOM 577 CG2 VAL A 37 -0.751 0.639 1.813 1.00 15.41 C ATOM 0 H VAL A 37 0.246 2.964 2.862 1.00 32.31 H new ATOM 0 HA VAL A 37 -0.600 3.682 0.175 1.00 73.21 H new ATOM 0 HB VAL A 37 -1.201 1.375 -0.119 1.00 31.42 H new ATOM 0 HG11 VAL A 37 1.116 0.442 -0.052 1.00 12.32 H new ATOM 0 HG12 VAL A 37 1.078 2.115 -0.658 1.00 12.32 H new ATOM 0 HG13 VAL A 37 1.598 1.785 1.012 1.00 12.32 H new ATOM 0 HG21 VAL A 37 -0.515 -0.370 1.474 1.00 15.41 H new ATOM 0 HG22 VAL A 37 -0.116 0.895 2.661 1.00 15.41 H new ATOM 0 HG23 VAL A 37 -1.797 0.684 2.116 1.00 15.41 H new ATOM 587 N GLU A 38 -2.941 4.143 0.686 1.00 12.23 N ATOM 588 CA GLU A 38 -4.299 4.507 0.945 1.00 43.10 C ATOM 589 C GLU A 38 -5.221 3.638 0.110 1.00 20.44 C ATOM 590 O GLU A 38 -5.248 3.751 -1.124 1.00 32.42 O ATOM 591 CB GLU A 38 -4.494 5.983 0.615 1.00 41.31 C ATOM 592 CG GLU A 38 -5.851 6.542 0.960 1.00 24.33 C ATOM 593 CD GLU A 38 -5.986 7.977 0.528 1.00 54.51 C ATOM 594 OE1 GLU A 38 -5.598 8.887 1.292 1.00 21.53 O ATOM 595 OE2 GLU A 38 -6.472 8.220 -0.594 1.00 11.52 O ATOM 0 H GLU A 38 -2.544 4.577 -0.147 1.00 12.23 H new ATOM 0 HA GLU A 38 -4.537 4.351 1.997 1.00 43.10 H new ATOM 0 HB2 GLU A 38 -3.735 6.561 1.143 1.00 41.31 H new ATOM 0 HB3 GLU A 38 -4.319 6.127 -0.451 1.00 41.31 H new ATOM 0 HG2 GLU A 38 -6.625 5.943 0.480 1.00 24.33 H new ATOM 0 HG3 GLU A 38 -6.013 6.469 2.035 1.00 24.33 H new ATOM 602 N VAL A 39 -5.930 2.763 0.772 1.00 52.14 N ATOM 603 CA VAL A 39 -6.843 1.844 0.121 1.00 12.34 C ATOM 604 C VAL A 39 -8.285 2.330 0.315 1.00 53.23 C ATOM 605 O VAL A 39 -8.800 2.344 1.443 1.00 11.02 O ATOM 606 CB VAL A 39 -6.709 0.412 0.726 1.00 71.22 C ATOM 607 CG1 VAL A 39 -7.619 -0.589 0.021 1.00 25.44 C ATOM 608 CG2 VAL A 39 -5.261 -0.072 0.725 1.00 54.11 C ATOM 0 H VAL A 39 -5.894 2.662 1.786 1.00 52.14 H new ATOM 0 HA VAL A 39 -6.596 1.808 -0.940 1.00 12.34 H new ATOM 0 HB VAL A 39 -7.034 0.480 1.764 1.00 71.22 H new ATOM 0 HG11 VAL A 39 -7.495 -1.574 0.472 1.00 25.44 H new ATOM 0 HG12 VAL A 39 -8.657 -0.271 0.122 1.00 25.44 H new ATOM 0 HG13 VAL A 39 -7.356 -0.639 -1.036 1.00 25.44 H new ATOM 0 HG21 VAL A 39 -5.212 -1.073 1.154 1.00 54.11 H new ATOM 0 HG22 VAL A 39 -4.887 -0.097 -0.298 1.00 54.11 H new ATOM 0 HG23 VAL A 39 -4.650 0.608 1.318 1.00 54.11 H new ATOM 618 N LEU A 40 -8.907 2.780 -0.758 1.00 14.43 N ATOM 619 CA LEU A 40 -10.294 3.196 -0.724 1.00 3.44 C ATOM 620 C LEU A 40 -11.139 2.036 -1.187 1.00 75.42 C ATOM 621 O LEU A 40 -11.092 1.645 -2.365 1.00 54.23 O ATOM 622 CB LEU A 40 -10.519 4.463 -1.611 1.00 20.32 C ATOM 623 CG LEU A 40 -11.896 5.201 -1.534 1.00 32.34 C ATOM 624 CD1 LEU A 40 -11.826 6.498 -2.302 1.00 54.03 C ATOM 625 CD2 LEU A 40 -13.039 4.366 -2.102 1.00 34.34 C ATOM 0 H LEU A 40 -8.466 2.867 -1.674 1.00 14.43 H new ATOM 0 HA LEU A 40 -10.580 3.474 0.290 1.00 3.44 H new ATOM 0 HB2 LEU A 40 -9.743 5.185 -1.358 1.00 20.32 H new ATOM 0 HB3 LEU A 40 -10.358 4.172 -2.649 1.00 20.32 H new ATOM 0 HG LEU A 40 -12.097 5.382 -0.478 1.00 32.34 H new ATOM 0 HD11 LEU A 40 -12.788 7.007 -2.245 1.00 54.03 H new ATOM 0 HD12 LEU A 40 -11.052 7.134 -1.872 1.00 54.03 H new ATOM 0 HD13 LEU A 40 -11.587 6.291 -3.345 1.00 54.03 H new ATOM 0 HD21 LEU A 40 -13.972 4.925 -2.024 1.00 34.34 H new ATOM 0 HD22 LEU A 40 -12.838 4.139 -3.149 1.00 34.34 H new ATOM 0 HD23 LEU A 40 -13.125 3.436 -1.539 1.00 34.34 H new ATOM 637 N CYS A 41 -11.879 1.494 -0.269 1.00 2.03 N ATOM 638 CA CYS A 41 -12.726 0.373 -0.503 1.00 70.42 C ATOM 639 C CYS A 41 -14.181 0.808 -0.550 1.00 71.51 C ATOM 640 O CYS A 41 -14.759 1.162 0.484 1.00 11.11 O ATOM 641 CB CYS A 41 -12.523 -0.660 0.610 1.00 41.21 C ATOM 642 SG CYS A 41 -13.596 -2.103 0.503 1.00 0.44 S ATOM 0 H CYS A 41 -11.908 1.833 0.693 1.00 2.03 H new ATOM 0 HA CYS A 41 -12.468 -0.073 -1.464 1.00 70.42 H new ATOM 0 HB2 CYS A 41 -11.485 -0.994 0.592 1.00 41.21 H new ATOM 0 HB3 CYS A 41 -12.685 -0.174 1.572 1.00 41.21 H new ATOM 0 HG CYS A 41 -13.338 -2.909 1.490 1.00 0.44 H new ATOM 648 N SER A 42 -14.747 0.846 -1.759 1.00 52.23 N ATOM 649 CA SER A 42 -16.179 1.140 -2.033 1.00 20.34 C ATOM 650 C SER A 42 -16.644 2.581 -1.705 1.00 65.51 C ATOM 651 O SER A 42 -17.413 3.186 -2.472 1.00 3.34 O ATOM 652 CB SER A 42 -17.141 0.036 -1.497 1.00 14.32 C ATOM 653 OG SER A 42 -16.964 -0.231 -0.110 1.00 32.22 O ATOM 0 H SER A 42 -14.214 0.669 -2.610 1.00 52.23 H new ATOM 0 HA SER A 42 -16.246 1.104 -3.120 1.00 20.34 H new ATOM 0 HB2 SER A 42 -18.172 0.343 -1.673 1.00 14.32 H new ATOM 0 HB3 SER A 42 -16.981 -0.883 -2.061 1.00 14.32 H new ATOM 0 HG SER A 42 -16.417 0.476 0.292 1.00 32.22 H new ATOM 659 N GLY A 43 -16.198 3.108 -0.600 1.00 2.13 N ATOM 660 CA GLY A 43 -16.516 4.452 -0.227 1.00 33.34 C ATOM 661 C GLY A 43 -15.941 4.796 1.115 1.00 2.11 C ATOM 662 O GLY A 43 -16.487 5.606 1.834 1.00 43.43 O ATOM 0 H GLY A 43 -15.603 2.615 0.066 1.00 2.13 H new ATOM 0 HA2 GLY A 43 -16.130 5.141 -0.978 1.00 33.34 H new ATOM 0 HA3 GLY A 43 -17.598 4.579 -0.205 1.00 33.34 H new ATOM 666 N ARG A 44 -14.850 4.144 1.459 1.00 23.01 N ATOM 667 CA ARG A 44 -14.129 4.381 2.700 1.00 72.45 C ATOM 668 C ARG A 44 -12.665 4.192 2.413 1.00 1.33 C ATOM 669 O ARG A 44 -12.288 3.192 1.809 1.00 1.21 O ATOM 670 CB ARG A 44 -14.535 3.373 3.796 1.00 23.41 C ATOM 671 CG ARG A 44 -15.985 3.423 4.257 1.00 52.34 C ATOM 672 CD ARG A 44 -16.338 4.738 4.927 1.00 40.44 C ATOM 673 NE ARG A 44 -17.714 4.718 5.431 1.00 0.24 N ATOM 674 CZ ARG A 44 -18.263 5.640 6.221 1.00 12.24 C ATOM 675 NH1 ARG A 44 -17.602 6.738 6.536 1.00 50.43 N ATOM 676 NH2 ARG A 44 -19.476 5.467 6.683 1.00 52.41 N ATOM 0 H ARG A 44 -14.429 3.421 0.876 1.00 23.01 H new ATOM 0 HA ARG A 44 -14.358 5.385 3.056 1.00 72.45 H new ATOM 0 HB2 ARG A 44 -14.327 2.368 3.430 1.00 23.41 H new ATOM 0 HB3 ARG A 44 -13.895 3.535 4.663 1.00 23.41 H new ATOM 0 HG2 ARG A 44 -16.641 3.268 3.400 1.00 52.34 H new ATOM 0 HG3 ARG A 44 -16.170 2.604 4.952 1.00 52.34 H new ATOM 0 HD2 ARG A 44 -15.648 4.928 5.750 1.00 40.44 H new ATOM 0 HD3 ARG A 44 -16.219 5.556 4.216 1.00 40.44 H new ATOM 0 HE ARG A 44 -18.301 3.932 5.154 1.00 0.24 H new ATOM 0 HH11 ARG A 44 -16.660 6.888 6.174 1.00 50.43 H new ATOM 0 HH12 ARG A 44 -18.033 7.437 7.142 1.00 50.43 H new ATOM 0 HH21 ARG A 44 -20.000 4.627 6.438 1.00 52.41 H new ATOM 0 HH22 ARG A 44 -19.897 6.172 7.288 1.00 52.41 H new ATOM 690 N ARG A 45 -11.842 5.121 2.811 1.00 45.35 N ATOM 691 CA ARG A 45 -10.422 4.984 2.588 1.00 5.21 C ATOM 692 C ARG A 45 -9.643 5.124 3.854 1.00 23.14 C ATOM 693 O ARG A 45 -10.016 5.895 4.751 1.00 41.14 O ATOM 694 CB ARG A 45 -9.897 5.939 1.506 1.00 34.55 C ATOM 695 CG ARG A 45 -10.195 7.417 1.712 1.00 50.22 C ATOM 696 CD ARG A 45 -9.578 8.226 0.584 1.00 52.52 C ATOM 697 NE ARG A 45 -9.916 9.651 0.633 1.00 10.33 N ATOM 698 CZ ARG A 45 -9.260 10.604 -0.049 1.00 41.12 C ATOM 699 NH1 ARG A 45 -8.134 10.315 -0.694 1.00 43.21 N ATOM 700 NH2 ARG A 45 -9.705 11.853 -0.047 1.00 24.13 N ATOM 0 H ARG A 45 -12.123 5.977 3.289 1.00 45.35 H new ATOM 0 HA ARG A 45 -10.272 3.971 2.216 1.00 5.21 H new ATOM 0 HB2 ARG A 45 -8.817 5.814 1.434 1.00 34.55 H new ATOM 0 HB3 ARG A 45 -10.318 5.635 0.547 1.00 34.55 H new ATOM 0 HG2 ARG A 45 -11.272 7.580 1.742 1.00 50.22 H new ATOM 0 HG3 ARG A 45 -9.796 7.748 2.671 1.00 50.22 H new ATOM 0 HD2 ARG A 45 -8.494 8.117 0.620 1.00 52.52 H new ATOM 0 HD3 ARG A 45 -9.908 7.815 -0.370 1.00 52.52 H new ATOM 0 HE ARG A 45 -10.698 9.937 1.222 1.00 10.33 H new ATOM 0 HH11 ARG A 45 -7.764 9.365 -0.673 1.00 43.21 H new ATOM 0 HH12 ARG A 45 -7.641 11.043 -1.210 1.00 43.21 H new ATOM 0 HH21 ARG A 45 -10.549 12.093 0.474 1.00 24.13 H new ATOM 0 HH22 ARG A 45 -9.204 12.574 -0.566 1.00 24.13 H new ATOM 714 N HIS A 46 -8.583 4.363 3.955 1.00 32.11 N ATOM 715 CA HIS A 46 -7.726 4.446 5.093 1.00 30.44 C ATOM 716 C HIS A 46 -6.296 4.492 4.615 1.00 74.15 C ATOM 717 O HIS A 46 -5.890 3.701 3.758 1.00 62.12 O ATOM 718 CB HIS A 46 -7.935 3.259 6.049 1.00 21.00 C ATOM 719 CG HIS A 46 -7.320 3.470 7.409 1.00 3.34 C ATOM 720 ND1 HIS A 46 -6.078 3.216 7.878 1.00 43.41 N flip ATOM 721 CD2 HIS A 46 -8.016 3.996 8.468 1.00 40.11 C flip ATOM 722 CE1 HIS A 46 -6.056 3.590 9.189 1.00 11.21 C flip ATOM 723 NE2 HIS A 46 -7.238 4.059 9.520 1.00 32.23 N flip ATOM 0 H HIS A 46 -8.298 3.678 3.255 1.00 32.11 H new ATOM 0 HA HIS A 46 -7.966 5.351 5.651 1.00 30.44 H new ATOM 0 HB2 HIS A 46 -9.004 3.080 6.166 1.00 21.00 H new ATOM 0 HB3 HIS A 46 -7.508 2.362 5.601 1.00 21.00 H new ATOM 0 HD2 HIS A 46 -9.049 4.310 8.439 1.00 40.11 H new ATOM 0 HE1 HIS A 46 -5.205 3.513 9.849 1.00 11.21 H new ATOM 0 HE2 HIS A 46 -7.504 4.412 10.439 1.00 32.23 H new ATOM 732 N THR A 47 -5.565 5.410 5.141 1.00 10.12 N ATOM 733 CA THR A 47 -4.195 5.598 4.815 1.00 54.23 C ATOM 734 C THR A 47 -3.350 4.653 5.703 1.00 62.12 C ATOM 735 O THR A 47 -3.223 4.878 6.908 1.00 54.22 O ATOM 736 CB THR A 47 -3.841 7.074 5.097 1.00 64.13 C ATOM 737 OG1 THR A 47 -4.794 7.925 4.420 1.00 53.22 O ATOM 738 CG2 THR A 47 -2.456 7.406 4.614 1.00 5.25 C ATOM 0 H THR A 47 -5.915 6.073 5.833 1.00 10.12 H new ATOM 0 HA THR A 47 -3.994 5.372 3.768 1.00 54.23 H new ATOM 0 HB THR A 47 -3.877 7.237 6.174 1.00 64.13 H new ATOM 0 HG1 THR A 47 -4.576 8.864 4.596 1.00 53.22 H new ATOM 0 HG21 THR A 47 -2.237 8.452 4.827 1.00 5.25 H new ATOM 0 HG22 THR A 47 -1.731 6.772 5.125 1.00 5.25 H new ATOM 0 HG23 THR A 47 -2.395 7.234 3.539 1.00 5.25 H new ATOM 746 N VAL A 48 -2.837 3.578 5.121 1.00 1.32 N ATOM 747 CA VAL A 48 -2.102 2.566 5.881 1.00 1.52 C ATOM 748 C VAL A 48 -0.586 2.639 5.598 1.00 14.03 C ATOM 749 O VAL A 48 -0.147 2.355 4.489 1.00 2.41 O ATOM 750 CB VAL A 48 -2.597 1.134 5.530 1.00 61.14 C ATOM 751 CG1 VAL A 48 -1.912 0.110 6.407 1.00 62.32 C ATOM 752 CG2 VAL A 48 -4.107 1.016 5.665 1.00 70.44 C ATOM 0 H VAL A 48 -2.914 3.380 4.123 1.00 1.32 H new ATOM 0 HA VAL A 48 -2.285 2.773 6.935 1.00 1.52 H new ATOM 0 HB VAL A 48 -2.339 0.941 4.489 1.00 61.14 H new ATOM 0 HG11 VAL A 48 -2.269 -0.887 6.149 1.00 62.32 H new ATOM 0 HG12 VAL A 48 -0.834 0.161 6.252 1.00 62.32 H new ATOM 0 HG13 VAL A 48 -2.138 0.317 7.453 1.00 62.32 H new ATOM 0 HG21 VAL A 48 -4.417 0.002 5.412 1.00 70.44 H new ATOM 0 HG22 VAL A 48 -4.399 1.239 6.691 1.00 70.44 H new ATOM 0 HG23 VAL A 48 -4.589 1.722 4.989 1.00 70.44 H new ATOM 762 N PRO A 49 0.225 3.039 6.579 1.00 61.33 N ATOM 763 CA PRO A 49 1.681 3.104 6.426 1.00 61.01 C ATOM 764 C PRO A 49 2.359 1.728 6.511 1.00 51.42 C ATOM 765 O PRO A 49 2.079 0.934 7.424 1.00 11.44 O ATOM 766 CB PRO A 49 2.131 3.974 7.613 1.00 11.51 C ATOM 767 CG PRO A 49 0.870 4.490 8.229 1.00 24.22 C ATOM 768 CD PRO A 49 -0.182 3.480 7.909 1.00 60.25 C ATOM 0 HA PRO A 49 1.954 3.498 5.447 1.00 61.01 H new ATOM 0 HB2 PRO A 49 2.709 3.391 8.330 1.00 11.51 H new ATOM 0 HB3 PRO A 49 2.769 4.793 7.280 1.00 11.51 H new ATOM 0 HG2 PRO A 49 0.982 4.610 9.307 1.00 24.22 H new ATOM 0 HG3 PRO A 49 0.609 5.468 7.825 1.00 24.22 H new ATOM 0 HD2 PRO A 49 -0.193 2.660 8.627 1.00 60.25 H new ATOM 0 HD3 PRO A 49 -1.181 3.916 7.908 1.00 60.25 H new ATOM 776 N ARG A 50 3.245 1.453 5.562 1.00 60.11 N ATOM 777 CA ARG A 50 4.008 0.222 5.561 1.00 51.01 C ATOM 778 C ARG A 50 5.365 0.419 4.892 1.00 60.41 C ATOM 779 O ARG A 50 5.598 1.426 4.209 1.00 40.23 O ATOM 780 CB ARG A 50 3.239 -0.936 4.916 1.00 11.32 C ATOM 781 CG ARG A 50 2.857 -0.722 3.472 1.00 2.31 C ATOM 782 CD ARG A 50 2.114 -1.927 2.944 1.00 33.21 C ATOM 783 NE ARG A 50 1.705 -1.756 1.550 1.00 4.53 N ATOM 784 CZ ARG A 50 1.375 -2.753 0.727 1.00 72.25 C ATOM 785 NH1 ARG A 50 1.541 -4.020 1.111 1.00 11.33 N ATOM 786 NH2 ARG A 50 0.903 -2.484 -0.481 1.00 72.43 N ATOM 0 H ARG A 50 3.450 2.074 4.780 1.00 60.11 H new ATOM 0 HA ARG A 50 4.177 -0.049 6.603 1.00 51.01 H new ATOM 0 HB2 ARG A 50 3.846 -1.839 4.986 1.00 11.32 H new ATOM 0 HB3 ARG A 50 2.332 -1.116 5.493 1.00 11.32 H new ATOM 0 HG2 ARG A 50 2.233 0.167 3.381 1.00 2.31 H new ATOM 0 HG3 ARG A 50 3.751 -0.546 2.874 1.00 2.31 H new ATOM 0 HD2 ARG A 50 2.749 -2.809 3.029 1.00 33.21 H new ATOM 0 HD3 ARG A 50 1.233 -2.107 3.560 1.00 33.21 H new ATOM 0 HE ARG A 50 1.670 -0.806 1.180 1.00 4.53 H new ATOM 0 HH11 ARG A 50 1.921 -4.227 2.035 1.00 11.33 H new ATOM 0 HH12 ARG A 50 1.288 -4.781 0.481 1.00 11.33 H new ATOM 0 HH21 ARG A 50 0.792 -1.516 -0.781 1.00 72.43 H new ATOM 0 HH22 ARG A 50 0.650 -3.245 -1.111 1.00 72.43 H new ATOM 800 N ARG A 51 6.244 -0.539 5.089 1.00 33.25 N ATOM 801 CA ARG A 51 7.597 -0.488 4.553 1.00 45.51 C ATOM 802 C ARG A 51 7.671 -0.822 3.085 1.00 32.25 C ATOM 803 O ARG A 51 6.776 -1.471 2.517 1.00 31.11 O ATOM 804 CB ARG A 51 8.506 -1.459 5.285 1.00 44.35 C ATOM 805 CG ARG A 51 8.806 -1.110 6.700 1.00 50.44 C ATOM 806 CD ARG A 51 9.700 -2.160 7.324 1.00 62.40 C ATOM 807 NE ARG A 51 9.042 -3.457 7.491 1.00 42.10 N ATOM 808 CZ ARG A 51 9.430 -4.378 8.373 1.00 54.22 C ATOM 809 NH1 ARG A 51 10.475 -4.144 9.176 1.00 10.21 N ATOM 810 NH2 ARG A 51 8.765 -5.511 8.469 1.00 44.20 N ATOM 0 H ARG A 51 6.044 -1.382 5.628 1.00 33.25 H new ATOM 0 HA ARG A 51 7.921 0.543 4.695 1.00 45.51 H new ATOM 0 HB2 ARG A 51 8.047 -2.447 5.262 1.00 44.35 H new ATOM 0 HB3 ARG A 51 9.447 -1.531 4.739 1.00 44.35 H new ATOM 0 HG2 ARG A 51 9.292 -0.135 6.746 1.00 50.44 H new ATOM 0 HG3 ARG A 51 7.878 -1.030 7.266 1.00 50.44 H new ATOM 0 HD2 ARG A 51 10.587 -2.288 6.703 1.00 62.40 H new ATOM 0 HD3 ARG A 51 10.041 -1.805 8.297 1.00 62.40 H new ATOM 0 HE ARG A 51 8.240 -3.668 6.898 1.00 42.10 H new ATOM 0 HH11 ARG A 51 10.977 -3.258 9.114 1.00 10.21 H new ATOM 0 HH12 ARG A 51 10.769 -4.851 9.850 1.00 10.21 H new ATOM 0 HH21 ARG A 51 7.957 -5.680 7.870 1.00 44.20 H new ATOM 0 HH22 ARG A 51 9.058 -6.219 9.142 1.00 44.20 H new ATOM 824 N TYR A 52 8.772 -0.411 2.487 1.00 73.13 N ATOM 825 CA TYR A 52 9.095 -0.748 1.121 1.00 31.02 C ATOM 826 C TYR A 52 9.417 -2.237 1.071 1.00 25.41 C ATOM 827 O TYR A 52 9.055 -2.945 0.122 1.00 0.42 O ATOM 828 CB TYR A 52 10.311 0.071 0.663 1.00 34.14 C ATOM 829 CG TYR A 52 10.730 -0.170 -0.768 1.00 63.32 C ATOM 830 CD1 TYR A 52 10.126 0.520 -1.795 1.00 21.55 C ATOM 831 CD2 TYR A 52 11.731 -1.093 -1.096 1.00 22.52 C ATOM 832 CE1 TYR A 52 10.489 0.313 -3.100 1.00 45.14 C ATOM 833 CE2 TYR A 52 12.098 -1.301 -2.410 1.00 30.21 C ATOM 834 CZ TYR A 52 11.470 -0.593 -3.402 1.00 71.05 C ATOM 835 OH TYR A 52 11.823 -0.778 -4.700 1.00 4.23 O ATOM 0 H TYR A 52 9.473 0.173 2.944 1.00 73.13 H new ATOM 0 HA TYR A 52 8.258 -0.522 0.460 1.00 31.02 H new ATOM 0 HB2 TYR A 52 10.087 1.130 0.788 1.00 34.14 H new ATOM 0 HB3 TYR A 52 11.153 -0.156 1.317 1.00 34.14 H new ATOM 0 HD1 TYR A 52 9.352 1.238 -1.568 1.00 21.55 H new ATOM 0 HD2 TYR A 52 12.222 -1.649 -0.311 1.00 22.52 H new ATOM 0 HE1 TYR A 52 10.001 0.864 -3.890 1.00 45.14 H new ATOM 0 HE2 TYR A 52 12.872 -2.014 -2.654 1.00 30.21 H new ATOM 0 HH TYR A 52 11.630 -1.702 -4.963 1.00 4.23 H new ATOM 845 N SER A 53 10.093 -2.697 2.124 1.00 24.10 N ATOM 846 CA SER A 53 10.450 -4.093 2.305 1.00 5.21 C ATOM 847 C SER A 53 9.217 -4.954 2.277 1.00 33.25 C ATOM 848 O SER A 53 9.165 -5.986 1.586 1.00 71.20 O ATOM 849 CB SER A 53 11.159 -4.277 3.647 1.00 25.13 C ATOM 850 OG SER A 53 11.462 -5.646 3.893 1.00 55.31 O ATOM 0 H SER A 53 10.410 -2.095 2.884 1.00 24.10 H new ATOM 0 HA SER A 53 11.115 -4.390 1.494 1.00 5.21 H new ATOM 0 HB2 SER A 53 12.079 -3.692 3.657 1.00 25.13 H new ATOM 0 HB3 SER A 53 10.528 -3.893 4.449 1.00 25.13 H new ATOM 0 HG SER A 53 11.916 -5.730 4.757 1.00 55.31 H new ATOM 856 N GLU A 54 8.218 -4.489 2.993 1.00 62.11 N ATOM 857 CA GLU A 54 6.983 -5.179 3.178 1.00 3.13 C ATOM 858 C GLU A 54 6.345 -5.412 1.806 1.00 32.34 C ATOM 859 O GLU A 54 5.978 -6.533 1.460 1.00 13.21 O ATOM 860 CB GLU A 54 6.077 -4.301 4.037 1.00 13.31 C ATOM 861 CG GLU A 54 5.200 -5.054 4.994 1.00 73.21 C ATOM 862 CD GLU A 54 6.012 -5.798 6.031 1.00 41.32 C ATOM 863 OE1 GLU A 54 6.454 -5.171 7.019 1.00 11.24 O ATOM 864 OE2 GLU A 54 6.242 -7.002 5.863 1.00 22.34 O ATOM 0 H GLU A 54 8.255 -3.590 3.474 1.00 62.11 H new ATOM 0 HA GLU A 54 7.136 -6.140 3.669 1.00 3.13 H new ATOM 0 HB2 GLU A 54 6.697 -3.606 4.603 1.00 13.31 H new ATOM 0 HB3 GLU A 54 5.446 -3.702 3.381 1.00 13.31 H new ATOM 0 HG2 GLU A 54 4.524 -4.359 5.492 1.00 73.21 H new ATOM 0 HG3 GLU A 54 4.581 -5.761 4.441 1.00 73.21 H new ATOM 871 N PHE A 55 6.280 -4.333 1.026 1.00 11.31 N ATOM 872 CA PHE A 55 5.742 -4.299 -0.308 1.00 54.34 C ATOM 873 C PHE A 55 6.435 -5.305 -1.242 1.00 62.42 C ATOM 874 O PHE A 55 5.763 -6.112 -1.868 1.00 61.22 O ATOM 875 CB PHE A 55 5.951 -2.878 -0.834 1.00 12.42 C ATOM 876 CG PHE A 55 5.401 -2.551 -2.199 1.00 64.23 C ATOM 877 CD1 PHE A 55 5.890 -3.158 -3.354 1.00 0.51 C ATOM 878 CD2 PHE A 55 4.428 -1.601 -2.323 1.00 12.12 C ATOM 879 CE1 PHE A 55 5.402 -2.819 -4.589 1.00 73.41 C ATOM 880 CE2 PHE A 55 3.943 -1.258 -3.544 1.00 44.35 C ATOM 881 CZ PHE A 55 4.424 -1.865 -4.689 1.00 2.42 C ATOM 0 H PHE A 55 6.621 -3.422 1.334 1.00 11.31 H new ATOM 0 HA PHE A 55 4.688 -4.574 -0.282 1.00 54.34 H new ATOM 0 HB2 PHE A 55 5.507 -2.186 -0.118 1.00 12.42 H new ATOM 0 HB3 PHE A 55 7.023 -2.679 -0.847 1.00 12.42 H new ATOM 0 HD1 PHE A 55 6.665 -3.906 -3.275 1.00 0.51 H new ATOM 0 HD2 PHE A 55 4.040 -1.117 -1.439 1.00 12.12 H new ATOM 0 HE1 PHE A 55 5.786 -3.300 -5.477 1.00 73.41 H new ATOM 0 HE2 PHE A 55 3.174 -0.504 -3.621 1.00 44.35 H new ATOM 0 HZ PHE A 55 4.031 -1.589 -5.656 1.00 2.42 H new ATOM 891 N HIS A 56 7.762 -5.262 -1.350 1.00 24.54 N ATOM 892 CA HIS A 56 8.416 -6.133 -2.335 1.00 61.13 C ATOM 893 C HIS A 56 8.284 -7.612 -2.015 1.00 75.32 C ATOM 894 O HIS A 56 8.156 -8.428 -2.926 1.00 61.25 O ATOM 895 CB HIS A 56 9.874 -5.726 -2.735 1.00 45.31 C ATOM 896 CG HIS A 56 10.927 -5.735 -1.654 1.00 63.23 C ATOM 897 ND1 HIS A 56 11.772 -6.799 -1.421 1.00 4.41 N ATOM 898 CD2 HIS A 56 11.299 -4.779 -0.789 1.00 63.51 C ATOM 899 CE1 HIS A 56 12.609 -6.485 -0.456 1.00 33.32 C ATOM 900 NE2 HIS A 56 12.340 -5.265 -0.057 1.00 12.42 N ATOM 0 H HIS A 56 8.382 -4.667 -0.800 1.00 24.54 H new ATOM 0 HA HIS A 56 7.838 -5.958 -3.242 1.00 61.13 H new ATOM 0 HB2 HIS A 56 10.203 -6.396 -3.529 1.00 45.31 H new ATOM 0 HB3 HIS A 56 9.838 -4.723 -3.159 1.00 45.31 H new ATOM 0 HD1 HIS A 56 11.751 -7.689 -1.918 1.00 4.41 H new ATOM 0 HD2 HIS A 56 10.853 -3.800 -0.691 1.00 63.51 H new ATOM 0 HE1 HIS A 56 13.385 -7.123 -0.060 1.00 33.32 H new ATOM 909 N ALA A 57 8.265 -7.947 -0.742 1.00 73.34 N ATOM 910 CA ALA A 57 8.153 -9.337 -0.337 1.00 33.12 C ATOM 911 C ALA A 57 6.769 -9.929 -0.620 1.00 61.52 C ATOM 912 O ALA A 57 6.684 -11.063 -1.110 1.00 0.30 O ATOM 913 CB ALA A 57 8.557 -9.527 1.107 1.00 40.21 C ATOM 0 H ALA A 57 8.325 -7.281 0.029 1.00 73.34 H new ATOM 0 HA ALA A 57 8.856 -9.896 -0.955 1.00 33.12 H new ATOM 0 HB1 ALA A 57 8.461 -10.579 1.376 1.00 40.21 H new ATOM 0 HB2 ALA A 57 9.592 -9.211 1.240 1.00 40.21 H new ATOM 0 HB3 ALA A 57 7.910 -8.928 1.748 1.00 40.21 H new ATOM 919 N LEU A 58 5.671 -9.192 -0.339 1.00 44.20 N ATOM 920 CA LEU A 58 4.363 -9.792 -0.642 1.00 11.32 C ATOM 921 C LEU A 58 4.127 -9.744 -2.120 1.00 73.31 C ATOM 922 O LEU A 58 3.532 -10.644 -2.685 1.00 11.52 O ATOM 923 CB LEU A 58 3.134 -9.178 0.079 1.00 61.22 C ATOM 924 CG LEU A 58 2.537 -7.871 -0.453 1.00 55.23 C ATOM 925 CD1 LEU A 58 1.165 -7.697 0.112 1.00 54.40 C ATOM 926 CD2 LEU A 58 3.360 -6.693 -0.070 1.00 42.02 C ATOM 0 H LEU A 58 5.660 -8.255 0.065 1.00 44.20 H new ATOM 0 HA LEU A 58 4.436 -10.809 -0.257 1.00 11.32 H new ATOM 0 HB2 LEU A 58 2.342 -9.927 0.075 1.00 61.22 H new ATOM 0 HB3 LEU A 58 3.412 -9.013 1.120 1.00 61.22 H new ATOM 0 HG LEU A 58 2.510 -7.932 -1.541 1.00 55.23 H new ATOM 0 HD11 LEU A 58 0.733 -6.769 -0.262 1.00 54.40 H new ATOM 0 HD12 LEU A 58 0.538 -8.536 -0.189 1.00 54.40 H new ATOM 0 HD13 LEU A 58 1.222 -7.659 1.200 1.00 54.40 H new ATOM 0 HD21 LEU A 58 2.903 -5.786 -0.466 1.00 42.02 H new ATOM 0 HD22 LEU A 58 3.416 -6.626 1.016 1.00 42.02 H new ATOM 0 HD23 LEU A 58 4.364 -6.802 -0.479 1.00 42.02 H new ATOM 938 N HIS A 59 4.635 -8.681 -2.755 1.00 22.41 N ATOM 939 CA HIS A 59 4.491 -8.483 -4.185 1.00 41.14 C ATOM 940 C HIS A 59 5.051 -9.684 -4.920 1.00 51.03 C ATOM 941 O HIS A 59 4.448 -10.174 -5.868 1.00 63.11 O ATOM 942 CB HIS A 59 5.224 -7.193 -4.625 1.00 61.52 C ATOM 943 CG HIS A 59 5.094 -6.835 -6.084 1.00 1.34 C ATOM 944 ND1 HIS A 59 4.479 -5.680 -6.529 1.00 2.11 N ATOM 945 CD2 HIS A 59 5.548 -7.459 -7.193 1.00 24.03 C ATOM 946 CE1 HIS A 59 4.569 -5.628 -7.844 1.00 33.43 C ATOM 947 NE2 HIS A 59 5.209 -6.690 -8.260 1.00 3.14 N ATOM 0 H HIS A 59 5.155 -7.940 -2.285 1.00 22.41 H new ATOM 0 HA HIS A 59 3.434 -8.376 -4.428 1.00 41.14 H new ATOM 0 HB2 HIS A 59 4.846 -6.361 -4.030 1.00 61.52 H new ATOM 0 HB3 HIS A 59 6.283 -7.299 -4.388 1.00 61.52 H new ATOM 0 HD2 HIS A 59 6.082 -8.397 -7.225 1.00 24.03 H new ATOM 0 HE1 HIS A 59 4.179 -4.840 -8.472 1.00 33.43 H new ATOM 0 HE2 HIS A 59 5.421 -6.907 -9.234 1.00 3.14 H new ATOM 956 N LYS A 60 6.213 -10.143 -4.497 1.00 42.23 N ATOM 957 CA LYS A 60 6.792 -11.295 -5.119 1.00 21.22 C ATOM 958 C LYS A 60 6.054 -12.578 -4.746 1.00 31.40 C ATOM 959 O LYS A 60 5.951 -13.496 -5.559 1.00 71.12 O ATOM 960 CB LYS A 60 8.288 -11.431 -4.876 1.00 71.43 C ATOM 961 CG LYS A 60 8.721 -11.576 -3.441 1.00 24.13 C ATOM 962 CD LYS A 60 10.178 -11.985 -3.381 1.00 1.13 C ATOM 963 CE LYS A 60 10.382 -13.421 -3.901 1.00 72.14 C ATOM 964 NZ LYS A 60 9.819 -14.425 -2.979 1.00 32.15 N ATOM 0 H LYS A 60 6.759 -9.737 -3.737 1.00 42.23 H new ATOM 0 HA LYS A 60 6.670 -11.135 -6.190 1.00 21.22 H new ATOM 0 HB2 LYS A 60 8.647 -12.298 -5.431 1.00 71.43 H new ATOM 0 HB3 LYS A 60 8.784 -10.556 -5.296 1.00 71.43 H new ATOM 0 HG2 LYS A 60 8.577 -10.634 -2.912 1.00 24.13 H new ATOM 0 HG3 LYS A 60 8.104 -12.322 -2.939 1.00 24.13 H new ATOM 0 HD2 LYS A 60 10.776 -11.293 -3.974 1.00 1.13 H new ATOM 0 HD3 LYS A 60 10.535 -11.915 -2.354 1.00 1.13 H new ATOM 0 HE2 LYS A 60 9.912 -13.523 -4.879 1.00 72.14 H new ATOM 0 HE3 LYS A 60 11.447 -13.610 -4.037 1.00 72.14 H new ATOM 0 HZ1 LYS A 60 10.122 -15.375 -3.274 1.00 32.15 H new ATOM 0 HZ2 LYS A 60 10.157 -14.238 -2.013 1.00 32.15 H new ATOM 0 HZ3 LYS A 60 8.781 -14.371 -2.999 1.00 32.15 H new ATOM 978 N ARG A 61 5.513 -12.632 -3.531 1.00 42.24 N ATOM 979 CA ARG A 61 4.817 -13.823 -3.078 1.00 4.11 C ATOM 980 C ARG A 61 3.545 -13.988 -3.897 1.00 43.32 C ATOM 981 O ARG A 61 3.221 -15.093 -4.348 1.00 64.41 O ATOM 982 CB ARG A 61 4.540 -13.754 -1.539 1.00 2.25 C ATOM 983 CG ARG A 61 3.978 -15.045 -0.892 1.00 44.04 C ATOM 984 CD ARG A 61 2.525 -15.325 -1.257 1.00 62.21 C ATOM 985 NE ARG A 61 2.079 -16.646 -0.786 1.00 13.33 N ATOM 986 CZ ARG A 61 0.799 -17.035 -0.686 1.00 72.22 C ATOM 987 NH1 ARG A 61 -0.178 -16.160 -0.810 1.00 50.14 N ATOM 988 NH2 ARG A 61 0.509 -18.290 -0.395 1.00 12.33 N ATOM 0 H ARG A 61 5.545 -11.871 -2.852 1.00 42.24 H new ATOM 0 HA ARG A 61 5.439 -14.705 -3.233 1.00 4.11 H new ATOM 0 HB2 ARG A 61 5.470 -13.493 -1.034 1.00 2.25 H new ATOM 0 HB3 ARG A 61 3.837 -12.942 -1.352 1.00 2.25 H new ATOM 0 HG2 ARG A 61 4.591 -15.892 -1.199 1.00 44.04 H new ATOM 0 HG3 ARG A 61 4.063 -14.966 0.192 1.00 44.04 H new ATOM 0 HD2 ARG A 61 1.888 -14.553 -0.825 1.00 62.21 H new ATOM 0 HD3 ARG A 61 2.406 -15.268 -2.339 1.00 62.21 H new ATOM 0 HE ARG A 61 2.798 -17.317 -0.515 1.00 13.33 H new ATOM 0 HH11 ARG A 61 0.036 -15.178 -0.984 1.00 50.14 H new ATOM 0 HH12 ARG A 61 -1.148 -16.465 -0.733 1.00 50.14 H new ATOM 0 HH21 ARG A 61 1.259 -18.965 -0.246 1.00 12.33 H new ATOM 0 HH22 ARG A 61 -0.465 -18.584 -0.319 1.00 12.33 H new ATOM 1002 N ILE A 62 2.840 -12.896 -4.105 1.00 15.11 N ATOM 1003 CA ILE A 62 1.656 -12.934 -4.901 1.00 71.13 C ATOM 1004 C ILE A 62 1.896 -12.930 -6.391 1.00 74.34 C ATOM 1005 O ILE A 62 0.995 -13.240 -7.120 1.00 22.40 O ATOM 1006 CB ILE A 62 0.568 -11.917 -4.543 1.00 52.32 C ATOM 1007 CG1 ILE A 62 1.093 -10.486 -4.507 1.00 0.13 C ATOM 1008 CG2 ILE A 62 -0.146 -12.300 -3.262 1.00 51.44 C ATOM 1009 CD1 ILE A 62 0.006 -9.472 -4.291 1.00 74.34 C ATOM 0 H ILE A 62 3.075 -11.977 -3.729 1.00 15.11 H new ATOM 0 HA ILE A 62 1.263 -13.912 -4.625 1.00 71.13 H new ATOM 0 HB ILE A 62 -0.169 -11.945 -5.345 1.00 52.32 H new ATOM 0 HG12 ILE A 62 1.832 -10.395 -3.711 1.00 0.13 H new ATOM 0 HG13 ILE A 62 1.606 -10.268 -5.444 1.00 0.13 H new ATOM 0 HG21 ILE A 62 -0.912 -11.558 -3.036 1.00 51.44 H new ATOM 0 HG22 ILE A 62 -0.613 -13.277 -3.384 1.00 51.44 H new ATOM 0 HG23 ILE A 62 0.572 -12.341 -2.443 1.00 51.44 H new ATOM 0 HD11 ILE A 62 0.439 -8.472 -4.274 1.00 74.34 H new ATOM 0 HD12 ILE A 62 -0.721 -9.539 -5.101 1.00 74.34 H new ATOM 0 HD13 ILE A 62 -0.491 -9.668 -3.341 1.00 74.34 H new ATOM 1021 N LYS A 63 3.089 -12.591 -6.871 1.00 75.05 N ATOM 1022 CA LYS A 63 3.299 -12.698 -8.324 1.00 55.15 C ATOM 1023 C LYS A 63 3.478 -14.155 -8.672 1.00 31.21 C ATOM 1024 O LYS A 63 3.150 -14.601 -9.768 1.00 63.11 O ATOM 1025 CB LYS A 63 4.442 -11.806 -8.869 1.00 44.30 C ATOM 1026 CG LYS A 63 5.855 -12.217 -8.496 1.00 20.22 C ATOM 1027 CD LYS A 63 6.875 -11.160 -8.947 1.00 63.15 C ATOM 1028 CE LYS A 63 6.877 -10.937 -10.467 1.00 43.51 C ATOM 1029 NZ LYS A 63 7.291 -12.142 -11.224 1.00 14.31 N ATOM 0 H LYS A 63 3.883 -12.260 -6.323 1.00 75.05 H new ATOM 0 HA LYS A 63 2.414 -12.305 -8.825 1.00 55.15 H new ATOM 0 HB2 LYS A 63 4.369 -11.783 -9.956 1.00 44.30 H new ATOM 0 HB3 LYS A 63 4.278 -10.788 -8.517 1.00 44.30 H new ATOM 0 HG2 LYS A 63 5.924 -12.356 -7.417 1.00 20.22 H new ATOM 0 HG3 LYS A 63 6.092 -13.176 -8.957 1.00 20.22 H new ATOM 0 HD2 LYS A 63 6.657 -10.216 -8.447 1.00 63.15 H new ATOM 0 HD3 LYS A 63 7.872 -11.466 -8.629 1.00 63.15 H new ATOM 0 HE2 LYS A 63 5.879 -10.638 -10.787 1.00 43.51 H new ATOM 0 HE3 LYS A 63 7.549 -10.114 -10.708 1.00 43.51 H new ATOM 0 HZ1 LYS A 63 7.307 -11.925 -12.241 1.00 14.31 H new ATOM 0 HZ2 LYS A 63 8.241 -12.435 -10.918 1.00 14.31 H new ATOM 0 HZ3 LYS A 63 6.616 -12.913 -11.045 1.00 14.31 H new ATOM 1043 N LYS A 64 3.990 -14.891 -7.711 1.00 44.44 N ATOM 1044 CA LYS A 64 4.070 -16.326 -7.783 1.00 54.04 C ATOM 1045 C LYS A 64 2.647 -16.937 -7.554 1.00 34.43 C ATOM 1046 O LYS A 64 2.391 -18.108 -7.858 1.00 24.40 O ATOM 1047 CB LYS A 64 5.041 -16.779 -6.688 1.00 63.41 C ATOM 1048 CG LYS A 64 5.278 -18.269 -6.568 1.00 31.43 C ATOM 1049 CD LYS A 64 6.234 -18.543 -5.428 1.00 53.50 C ATOM 1050 CE LYS A 64 6.465 -20.024 -5.220 1.00 61.01 C ATOM 1051 NZ LYS A 64 7.404 -20.270 -4.097 1.00 33.02 N ATOM 0 H LYS A 64 4.367 -14.501 -6.847 1.00 44.44 H new ATOM 0 HA LYS A 64 4.424 -16.659 -8.759 1.00 54.04 H new ATOM 0 HB2 LYS A 64 6.001 -16.294 -6.862 1.00 63.41 H new ATOM 0 HB3 LYS A 64 4.669 -16.415 -5.730 1.00 63.41 H new ATOM 0 HG2 LYS A 64 4.333 -18.784 -6.395 1.00 31.43 H new ATOM 0 HG3 LYS A 64 5.687 -18.658 -7.500 1.00 31.43 H new ATOM 0 HD2 LYS A 64 7.187 -18.053 -5.629 1.00 53.50 H new ATOM 0 HD3 LYS A 64 5.838 -18.106 -4.511 1.00 53.50 H new ATOM 0 HE2 LYS A 64 5.515 -20.518 -5.017 1.00 61.01 H new ATOM 0 HE3 LYS A 64 6.864 -20.464 -6.134 1.00 61.01 H new ATOM 0 HZ1 LYS A 64 7.543 -21.294 -3.978 1.00 33.02 H new ATOM 0 HZ2 LYS A 64 8.318 -19.818 -4.303 1.00 33.02 H new ATOM 0 HZ3 LYS A 64 7.010 -19.870 -3.221 1.00 33.02 H new ATOM 1065 N LEU A 65 1.732 -16.110 -7.052 1.00 15.51 N ATOM 1066 CA LEU A 65 0.386 -16.544 -6.685 1.00 64.21 C ATOM 1067 C LEU A 65 -0.626 -16.193 -7.804 1.00 12.12 C ATOM 1068 O LEU A 65 -1.264 -17.084 -8.362 1.00 33.02 O ATOM 1069 CB LEU A 65 -0.014 -15.859 -5.344 1.00 14.32 C ATOM 1070 CG LEU A 65 -1.195 -16.432 -4.514 1.00 3.21 C ATOM 1071 CD1 LEU A 65 -2.528 -16.428 -5.250 1.00 41.33 C ATOM 1072 CD2 LEU A 65 -0.846 -17.810 -3.996 1.00 1.11 C ATOM 0 H LEU A 65 1.904 -15.118 -6.888 1.00 15.51 H new ATOM 0 HA LEU A 65 0.373 -17.627 -6.558 1.00 64.21 H new ATOM 0 HB2 LEU A 65 0.867 -15.859 -4.702 1.00 14.32 H new ATOM 0 HB3 LEU A 65 -0.246 -14.817 -5.566 1.00 14.32 H new ATOM 0 HG LEU A 65 -1.340 -15.758 -3.670 1.00 3.21 H new ATOM 0 HD11 LEU A 65 -3.302 -16.843 -4.604 1.00 41.33 H new ATOM 0 HD12 LEU A 65 -2.791 -15.405 -5.520 1.00 41.33 H new ATOM 0 HD13 LEU A 65 -2.447 -17.033 -6.153 1.00 41.33 H new ATOM 0 HD21 LEU A 65 -1.681 -18.203 -3.415 1.00 1.11 H new ATOM 0 HD22 LEU A 65 -0.644 -18.474 -4.836 1.00 1.11 H new ATOM 0 HD23 LEU A 65 0.039 -17.747 -3.363 1.00 1.11 H new ATOM 1084 N TYR A 66 -0.759 -14.910 -8.136 1.00 14.44 N ATOM 1085 CA TYR A 66 -1.753 -14.474 -9.111 1.00 24.22 C ATOM 1086 C TYR A 66 -1.131 -13.427 -10.072 1.00 65.11 C ATOM 1087 O TYR A 66 0.095 -13.236 -10.060 1.00 73.11 O ATOM 1088 CB TYR A 66 -3.025 -13.927 -8.371 1.00 72.33 C ATOM 1089 CG TYR A 66 -2.982 -12.527 -7.798 1.00 32.33 C ATOM 1090 CD1 TYR A 66 -2.533 -12.297 -6.516 1.00 75.51 C ATOM 1091 CD2 TYR A 66 -3.443 -11.442 -8.536 1.00 43.33 C ATOM 1092 CE1 TYR A 66 -2.533 -11.028 -5.989 1.00 1.32 C ATOM 1093 CE2 TYR A 66 -3.449 -10.172 -8.014 1.00 71.24 C ATOM 1094 CZ TYR A 66 -2.993 -9.969 -6.743 1.00 33.23 C ATOM 1095 OH TYR A 66 -2.997 -8.709 -6.218 1.00 61.14 O ATOM 0 H TYR A 66 -0.192 -14.158 -7.745 1.00 14.44 H new ATOM 0 HA TYR A 66 -2.071 -15.321 -9.719 1.00 24.22 H new ATOM 0 HB2 TYR A 66 -3.860 -13.973 -9.070 1.00 72.33 H new ATOM 0 HB3 TYR A 66 -3.254 -14.612 -7.555 1.00 72.33 H new ATOM 0 HD1 TYR A 66 -2.177 -13.123 -5.919 1.00 75.51 H new ATOM 0 HD2 TYR A 66 -3.804 -11.602 -9.541 1.00 43.33 H new ATOM 0 HE1 TYR A 66 -2.173 -10.860 -4.985 1.00 1.32 H new ATOM 0 HE2 TYR A 66 -3.811 -9.342 -8.603 1.00 71.24 H new ATOM 0 HH TYR A 66 -3.832 -8.256 -6.460 1.00 61.14 H new ATOM 1105 N LYS A 67 -1.959 -12.799 -10.925 1.00 64.22 N ATOM 1106 CA LYS A 67 -1.488 -11.755 -11.861 1.00 21.14 C ATOM 1107 C LYS A 67 -0.958 -10.544 -11.141 1.00 64.11 C ATOM 1108 O LYS A 67 -1.714 -9.744 -10.598 1.00 40.30 O ATOM 1109 CB LYS A 67 -2.565 -11.326 -12.861 1.00 72.31 C ATOM 1110 CG LYS A 67 -3.022 -12.402 -13.824 1.00 74.23 C ATOM 1111 CD LYS A 67 -1.860 -12.964 -14.625 1.00 63.41 C ATOM 1112 CE LYS A 67 -2.342 -13.919 -15.693 1.00 21.43 C ATOM 1113 NZ LYS A 67 -3.164 -15.025 -15.141 1.00 72.14 N ATOM 0 H LYS A 67 -2.958 -12.994 -10.988 1.00 64.22 H new ATOM 0 HA LYS A 67 -0.673 -12.216 -12.418 1.00 21.14 H new ATOM 0 HB2 LYS A 67 -3.431 -10.968 -12.305 1.00 72.31 H new ATOM 0 HB3 LYS A 67 -2.186 -10.483 -13.438 1.00 72.31 H new ATOM 0 HG2 LYS A 67 -3.505 -13.206 -13.269 1.00 74.23 H new ATOM 0 HG3 LYS A 67 -3.768 -11.990 -14.504 1.00 74.23 H new ATOM 0 HD2 LYS A 67 -1.305 -12.148 -15.087 1.00 63.41 H new ATOM 0 HD3 LYS A 67 -1.170 -13.480 -13.957 1.00 63.41 H new ATOM 0 HE2 LYS A 67 -2.927 -13.369 -16.430 1.00 21.43 H new ATOM 0 HE3 LYS A 67 -1.482 -14.337 -16.217 1.00 21.43 H new ATOM 0 HZ1 LYS A 67 -3.312 -15.747 -15.875 1.00 72.14 H new ATOM 0 HZ2 LYS A 67 -2.672 -15.452 -14.330 1.00 72.14 H new ATOM 0 HZ3 LYS A 67 -4.084 -14.652 -14.831 1.00 72.14 H new ATOM 1127 N VAL A 68 0.339 -10.421 -11.147 1.00 4.31 N ATOM 1128 CA VAL A 68 1.048 -9.358 -10.494 1.00 62.32 C ATOM 1129 C VAL A 68 2.258 -8.993 -11.351 1.00 71.12 C ATOM 1130 O VAL A 68 3.021 -9.877 -11.762 1.00 62.13 O ATOM 1131 CB VAL A 68 1.540 -9.795 -9.077 1.00 34.03 C ATOM 1132 CG1 VAL A 68 2.323 -8.703 -8.397 1.00 32.40 C ATOM 1133 CG2 VAL A 68 0.390 -10.234 -8.193 1.00 43.23 C ATOM 0 H VAL A 68 0.953 -11.082 -11.624 1.00 4.31 H new ATOM 0 HA VAL A 68 0.379 -8.506 -10.375 1.00 62.32 H new ATOM 0 HB VAL A 68 2.201 -10.648 -9.230 1.00 34.03 H new ATOM 0 HG11 VAL A 68 2.647 -9.046 -7.414 1.00 32.40 H new ATOM 0 HG12 VAL A 68 3.196 -8.451 -9.000 1.00 32.40 H new ATOM 0 HG13 VAL A 68 1.694 -7.820 -8.284 1.00 32.40 H new ATOM 0 HG21 VAL A 68 0.774 -10.530 -7.217 1.00 43.23 H new ATOM 0 HG22 VAL A 68 -0.312 -9.409 -8.072 1.00 43.23 H new ATOM 0 HG23 VAL A 68 -0.121 -11.080 -8.654 1.00 43.23 H new ATOM 1143 N PRO A 69 2.439 -7.701 -11.651 1.00 52.31 N ATOM 1144 CA PRO A 69 3.562 -7.220 -12.466 1.00 22.33 C ATOM 1145 C PRO A 69 4.912 -7.257 -11.711 1.00 22.25 C ATOM 1146 O PRO A 69 5.021 -7.836 -10.617 1.00 63.14 O ATOM 1147 CB PRO A 69 3.161 -5.775 -12.778 1.00 21.05 C ATOM 1148 CG PRO A 69 2.296 -5.374 -11.634 1.00 43.02 C ATOM 1149 CD PRO A 69 1.538 -6.600 -11.246 1.00 2.11 C ATOM 0 HA PRO A 69 3.724 -7.841 -13.347 1.00 22.33 H new ATOM 0 HB2 PRO A 69 4.035 -5.129 -12.860 1.00 21.05 H new ATOM 0 HB3 PRO A 69 2.624 -5.707 -13.724 1.00 21.05 H new ATOM 0 HG2 PRO A 69 2.895 -5.005 -10.801 1.00 43.02 H new ATOM 0 HG3 PRO A 69 1.618 -4.570 -11.920 1.00 43.02 H new ATOM 0 HD2 PRO A 69 1.331 -6.623 -10.176 1.00 2.11 H new ATOM 0 HD3 PRO A 69 0.577 -6.658 -11.758 1.00 2.11 H new ATOM 1157 N ASP A 70 5.918 -6.629 -12.284 1.00 43.14 N ATOM 1158 CA ASP A 70 7.271 -6.590 -11.708 1.00 53.11 C ATOM 1159 C ASP A 70 7.371 -5.456 -10.663 1.00 25.45 C ATOM 1160 O ASP A 70 6.447 -4.655 -10.535 1.00 12.44 O ATOM 1161 CB ASP A 70 8.304 -6.420 -12.842 1.00 21.34 C ATOM 1162 CG ASP A 70 9.743 -6.417 -12.371 1.00 12.11 C ATOM 1163 OD1 ASP A 70 10.272 -7.491 -12.025 1.00 4.33 O ATOM 1164 OD2 ASP A 70 10.367 -5.349 -12.356 1.00 12.32 O ATOM 0 H ASP A 70 5.833 -6.125 -13.167 1.00 43.14 H new ATOM 0 HA ASP A 70 7.484 -7.526 -11.192 1.00 53.11 H new ATOM 0 HB2 ASP A 70 8.171 -7.226 -13.564 1.00 21.34 H new ATOM 0 HB3 ASP A 70 8.102 -5.486 -13.366 1.00 21.34 H new ATOM 1169 N PHE A 71 8.443 -5.422 -9.890 1.00 14.02 N ATOM 1170 CA PHE A 71 8.609 -4.406 -8.858 1.00 40.45 C ATOM 1171 C PHE A 71 10.004 -3.761 -8.911 1.00 5.42 C ATOM 1172 O PHE A 71 10.975 -4.403 -9.366 1.00 44.10 O ATOM 1173 CB PHE A 71 8.338 -5.005 -7.451 1.00 32.21 C ATOM 1174 CG PHE A 71 9.233 -6.166 -7.052 1.00 33.53 C ATOM 1175 CD1 PHE A 71 8.904 -7.466 -7.401 1.00 74.34 C ATOM 1176 CD2 PHE A 71 10.390 -5.951 -6.317 1.00 31.22 C ATOM 1177 CE1 PHE A 71 9.705 -8.524 -7.030 1.00 50.43 C ATOM 1178 CE2 PHE A 71 11.197 -7.008 -5.944 1.00 63.13 C ATOM 1179 CZ PHE A 71 10.853 -8.296 -6.301 1.00 62.45 C ATOM 0 H PHE A 71 9.214 -6.086 -9.956 1.00 14.02 H new ATOM 0 HA PHE A 71 7.877 -3.622 -9.051 1.00 40.45 H new ATOM 0 HB2 PHE A 71 8.448 -4.213 -6.710 1.00 32.21 H new ATOM 0 HB3 PHE A 71 7.301 -5.338 -7.410 1.00 32.21 H new ATOM 0 HD1 PHE A 71 8.007 -7.653 -7.972 1.00 74.34 H new ATOM 0 HD2 PHE A 71 10.663 -4.945 -6.033 1.00 31.22 H new ATOM 0 HE1 PHE A 71 9.434 -9.531 -7.310 1.00 50.43 H new ATOM 0 HE2 PHE A 71 12.096 -6.827 -5.374 1.00 63.13 H new ATOM 0 HZ PHE A 71 11.482 -9.124 -6.010 1.00 62.45 H new ATOM 1189 N PRO A 72 10.122 -2.476 -8.483 1.00 64.11 N ATOM 1190 CA PRO A 72 11.424 -1.799 -8.344 1.00 63.32 C ATOM 1191 C PRO A 72 12.270 -2.513 -7.285 1.00 12.34 C ATOM 1192 O PRO A 72 11.727 -3.063 -6.310 1.00 42.21 O ATOM 1193 CB PRO A 72 11.050 -0.386 -7.876 1.00 50.42 C ATOM 1194 CG PRO A 72 9.628 -0.223 -8.272 1.00 74.45 C ATOM 1195 CD PRO A 72 9.013 -1.580 -8.132 1.00 70.13 C ATOM 0 HA PRO A 72 12.010 -1.794 -9.263 1.00 63.32 H new ATOM 0 HB2 PRO A 72 11.176 -0.279 -6.799 1.00 50.42 H new ATOM 0 HB3 PRO A 72 11.681 0.367 -8.347 1.00 50.42 H new ATOM 0 HG2 PRO A 72 9.124 0.503 -7.634 1.00 74.45 H new ATOM 0 HG3 PRO A 72 9.546 0.141 -9.296 1.00 74.45 H new ATOM 0 HD2 PRO A 72 8.653 -1.759 -7.119 1.00 70.13 H new ATOM 0 HD3 PRO A 72 8.161 -1.709 -8.800 1.00 70.13 H new ATOM 1203 N SER A 73 13.561 -2.491 -7.443 1.00 21.25 N ATOM 1204 CA SER A 73 14.408 -3.280 -6.606 1.00 1.14 C ATOM 1205 C SER A 73 15.440 -2.409 -5.856 1.00 42.53 C ATOM 1206 O SER A 73 15.207 -1.218 -5.622 1.00 31.21 O ATOM 1207 CB SER A 73 15.069 -4.325 -7.494 1.00 20.40 C ATOM 1208 OG SER A 73 15.795 -5.284 -6.744 1.00 12.42 O ATOM 0 H SER A 73 14.048 -1.934 -8.145 1.00 21.25 H new ATOM 0 HA SER A 73 13.827 -3.771 -5.825 1.00 1.14 H new ATOM 0 HB2 SER A 73 14.306 -4.831 -8.086 1.00 20.40 H new ATOM 0 HB3 SER A 73 15.741 -3.831 -8.195 1.00 20.40 H new ATOM 0 HG SER A 73 16.201 -5.936 -7.353 1.00 12.42 H new ATOM 1214 N LYS A 74 16.566 -3.022 -5.489 1.00 33.43 N ATOM 1215 CA LYS A 74 17.581 -2.395 -4.650 1.00 32.31 C ATOM 1216 C LYS A 74 18.301 -1.220 -5.316 1.00 42.15 C ATOM 1217 O LYS A 74 18.608 -0.238 -4.633 1.00 1.42 O ATOM 1218 CB LYS A 74 18.616 -3.415 -4.059 1.00 54.51 C ATOM 1219 CG LYS A 74 19.516 -4.191 -5.065 1.00 23.05 C ATOM 1220 CD LYS A 74 18.740 -5.181 -5.921 1.00 72.21 C ATOM 1221 CE LYS A 74 19.645 -5.976 -6.850 1.00 50.32 C ATOM 1222 NZ LYS A 74 18.877 -6.952 -7.663 1.00 71.13 N ATOM 0 H LYS A 74 16.799 -3.975 -5.769 1.00 33.43 H new ATOM 0 HA LYS A 74 17.010 -1.984 -3.817 1.00 32.31 H new ATOM 0 HB2 LYS A 74 19.268 -2.874 -3.373 1.00 54.51 H new ATOM 0 HB3 LYS A 74 18.067 -4.146 -3.466 1.00 54.51 H new ATOM 0 HG2 LYS A 74 20.023 -3.478 -5.715 1.00 23.05 H new ATOM 0 HG3 LYS A 74 20.290 -4.725 -4.514 1.00 23.05 H new ATOM 0 HD2 LYS A 74 18.195 -5.868 -5.274 1.00 72.21 H new ATOM 0 HD3 LYS A 74 17.999 -4.643 -6.512 1.00 72.21 H new ATOM 0 HE2 LYS A 74 20.179 -5.293 -7.510 1.00 50.32 H new ATOM 0 HE3 LYS A 74 20.396 -6.503 -6.262 1.00 50.32 H new ATOM 0 HZ1 LYS A 74 19.527 -7.475 -8.284 1.00 71.13 H new ATOM 0 HZ2 LYS A 74 18.388 -7.620 -7.033 1.00 71.13 H new ATOM 0 HZ3 LYS A 74 18.177 -6.446 -8.243 1.00 71.13 H new ATOM 1236 N ARG A 75 18.590 -1.287 -6.617 1.00 54.31 N ATOM 1237 CA ARG A 75 19.220 -0.128 -7.232 1.00 71.25 C ATOM 1238 C ARG A 75 18.118 0.795 -7.718 1.00 53.35 C ATOM 1239 O ARG A 75 17.462 0.528 -8.726 1.00 33.42 O ATOM 1240 CB ARG A 75 20.140 -0.542 -8.397 1.00 3.11 C ATOM 1241 CG ARG A 75 20.910 0.617 -9.036 1.00 72.15 C ATOM 1242 CD ARG A 75 21.829 1.296 -8.025 1.00 51.00 C ATOM 1243 NE ARG A 75 22.847 0.374 -7.489 1.00 54.12 N ATOM 1244 CZ ARG A 75 23.215 0.298 -6.197 1.00 12.53 C ATOM 1245 NH1 ARG A 75 22.600 1.030 -5.279 1.00 42.20 N ATOM 1246 NH2 ARG A 75 24.191 -0.525 -5.831 1.00 51.32 N ATOM 0 H ARG A 75 18.410 -2.082 -7.231 1.00 54.31 H new ATOM 0 HA ARG A 75 19.848 0.382 -6.502 1.00 71.25 H new ATOM 0 HB2 ARG A 75 20.854 -1.281 -8.035 1.00 3.11 H new ATOM 0 HB3 ARG A 75 19.538 -1.029 -9.164 1.00 3.11 H new ATOM 0 HG2 ARG A 75 21.499 0.246 -9.875 1.00 72.15 H new ATOM 0 HG3 ARG A 75 20.206 1.346 -9.438 1.00 72.15 H new ATOM 0 HD2 ARG A 75 22.323 2.144 -8.499 1.00 51.00 H new ATOM 0 HD3 ARG A 75 21.232 1.693 -7.204 1.00 51.00 H new ATOM 0 HE ARG A 75 23.307 -0.254 -8.148 1.00 54.12 H new ATOM 0 HH11 ARG A 75 21.842 1.656 -5.550 1.00 42.20 H new ATOM 0 HH12 ARG A 75 22.885 0.967 -4.302 1.00 42.20 H new ATOM 0 HH21 ARG A 75 24.662 -1.100 -6.530 1.00 51.32 H new ATOM 0 HH22 ARG A 75 24.469 -0.582 -4.851 1.00 51.32 H new ATOM 1260 N LEU A 76 17.922 1.864 -7.007 1.00 24.22 N ATOM 1261 CA LEU A 76 16.841 2.769 -7.270 1.00 1.50 C ATOM 1262 C LEU A 76 17.384 4.193 -6.970 1.00 55.32 C ATOM 1263 O LEU A 76 18.430 4.282 -6.327 1.00 71.22 O ATOM 1264 CB LEU A 76 15.681 2.310 -6.335 1.00 35.22 C ATOM 1265 CG LEU A 76 14.242 2.703 -6.676 1.00 32.41 C ATOM 1266 CD1 LEU A 76 13.899 2.294 -8.109 1.00 75.01 C ATOM 1267 CD2 LEU A 76 13.302 1.971 -5.736 1.00 31.24 C ATOM 0 H LEU A 76 18.512 2.136 -6.221 1.00 24.22 H new ATOM 0 HA LEU A 76 16.465 2.778 -8.293 1.00 1.50 H new ATOM 0 HB2 LEU A 76 15.718 1.222 -6.277 1.00 35.22 H new ATOM 0 HB3 LEU A 76 15.896 2.690 -5.336 1.00 35.22 H new ATOM 0 HG LEU A 76 14.138 3.783 -6.574 1.00 32.41 H new ATOM 0 HD11 LEU A 76 12.872 2.582 -8.333 1.00 75.01 H new ATOM 0 HD12 LEU A 76 14.576 2.794 -8.802 1.00 75.01 H new ATOM 0 HD13 LEU A 76 14.005 1.214 -8.214 1.00 75.01 H new ATOM 0 HD21 LEU A 76 12.272 2.242 -5.968 1.00 31.24 H new ATOM 0 HD22 LEU A 76 13.431 0.895 -5.858 1.00 31.24 H new ATOM 0 HD23 LEU A 76 13.527 2.249 -4.706 1.00 31.24 H new ATOM 1279 N PRO A 77 16.743 5.306 -7.472 1.00 55.22 N ATOM 1280 CA PRO A 77 17.191 6.708 -7.217 1.00 32.42 C ATOM 1281 C PRO A 77 17.707 7.003 -5.783 1.00 2.32 C ATOM 1282 O PRO A 77 17.337 6.340 -4.810 1.00 53.15 O ATOM 1283 CB PRO A 77 15.928 7.512 -7.483 1.00 41.20 C ATOM 1284 CG PRO A 77 15.229 6.761 -8.559 1.00 11.23 C ATOM 1285 CD PRO A 77 15.578 5.299 -8.375 1.00 73.00 C ATOM 0 HA PRO A 77 18.053 6.945 -7.841 1.00 32.42 H new ATOM 0 HB2 PRO A 77 15.311 7.590 -6.588 1.00 41.20 H new ATOM 0 HB3 PRO A 77 16.163 8.529 -7.797 1.00 41.20 H new ATOM 0 HG2 PRO A 77 14.151 6.911 -8.497 1.00 11.23 H new ATOM 0 HG3 PRO A 77 15.544 7.112 -9.542 1.00 11.23 H new ATOM 0 HD2 PRO A 77 14.745 4.744 -7.943 1.00 73.00 H new ATOM 0 HD3 PRO A 77 15.817 4.826 -9.327 1.00 73.00 H new ATOM 1293 N ASN A 78 18.545 8.031 -5.681 1.00 2.44 N ATOM 1294 CA ASN A 78 19.153 8.450 -4.407 1.00 15.21 C ATOM 1295 C ASN A 78 18.183 9.404 -3.654 1.00 45.30 C ATOM 1296 O ASN A 78 18.472 9.899 -2.562 1.00 62.02 O ATOM 1297 CB ASN A 78 20.513 9.126 -4.677 1.00 63.43 C ATOM 1298 CG ASN A 78 21.322 9.428 -3.418 1.00 31.31 C ATOM 1299 OD1 ASN A 78 21.263 8.698 -2.422 1.00 64.41 O ATOM 1300 ND2 ASN A 78 22.077 10.497 -3.451 1.00 34.11 N ATOM 0 H ASN A 78 18.827 8.603 -6.477 1.00 2.44 H new ATOM 0 HA ASN A 78 19.329 7.579 -3.776 1.00 15.21 H new ATOM 0 HB2 ASN A 78 21.103 8.482 -5.329 1.00 63.43 H new ATOM 0 HB3 ASN A 78 20.343 10.057 -5.218 1.00 63.43 H new ATOM 0 HD21 ASN A 78 22.640 10.749 -2.639 1.00 34.11 H new ATOM 0 HD22 ASN A 78 22.102 11.078 -4.289 1.00 34.11 H new ATOM 1307 N TRP A 79 17.050 9.672 -4.299 1.00 15.23 N ATOM 1308 CA TRP A 79 15.871 10.384 -3.737 1.00 14.14 C ATOM 1309 C TRP A 79 16.036 11.888 -3.571 1.00 73.14 C ATOM 1310 O TRP A 79 15.213 12.652 -4.058 1.00 23.44 O ATOM 1311 CB TRP A 79 15.373 9.747 -2.410 1.00 63.33 C ATOM 1312 CG TRP A 79 15.176 8.272 -2.524 1.00 74.23 C ATOM 1313 CD1 TRP A 79 15.752 7.310 -1.755 1.00 35.22 C ATOM 1314 CD2 TRP A 79 14.402 7.597 -3.502 1.00 65.33 C ATOM 1315 NE1 TRP A 79 15.371 6.074 -2.195 1.00 53.41 N ATOM 1316 CE2 TRP A 79 14.548 6.227 -3.275 1.00 1.14 C ATOM 1317 CE3 TRP A 79 13.598 8.026 -4.548 1.00 51.14 C ATOM 1318 CZ2 TRP A 79 13.926 5.283 -4.057 1.00 42.34 C ATOM 1319 CZ3 TRP A 79 12.978 7.092 -5.332 1.00 50.23 C ATOM 1320 CH2 TRP A 79 13.147 5.731 -5.088 1.00 73.20 C ATOM 0 H TRP A 79 16.908 9.393 -5.270 1.00 15.23 H new ATOM 0 HA TRP A 79 15.109 10.253 -4.505 1.00 14.14 H new ATOM 0 HB2 TRP A 79 16.093 9.954 -1.618 1.00 63.33 H new ATOM 0 HB3 TRP A 79 14.433 10.214 -2.116 1.00 63.33 H new ATOM 0 HD1 TRP A 79 16.412 7.495 -0.921 1.00 35.22 H new ATOM 0 HE1 TRP A 79 15.654 5.184 -1.785 1.00 53.41 H new ATOM 0 HE3 TRP A 79 13.464 9.080 -4.740 1.00 51.14 H new ATOM 0 HZ2 TRP A 79 14.048 4.227 -3.865 1.00 42.34 H new ATOM 0 HZ3 TRP A 79 12.350 7.414 -6.150 1.00 50.23 H new ATOM 0 HH2 TRP A 79 12.652 5.014 -5.727 1.00 73.20 H new ATOM 1331 N ARG A 80 17.093 12.306 -2.928 1.00 34.11 N ATOM 1332 CA ARG A 80 17.259 13.703 -2.523 1.00 33.51 C ATOM 1333 C ARG A 80 17.225 14.693 -3.710 1.00 32.21 C ATOM 1334 O ARG A 80 16.676 15.792 -3.594 1.00 41.42 O ATOM 1335 CB ARG A 80 18.537 13.870 -1.698 1.00 34.42 C ATOM 1336 CG ARG A 80 18.700 15.246 -1.093 1.00 13.40 C ATOM 1337 CD ARG A 80 19.959 15.342 -0.261 1.00 24.43 C ATOM 1338 NE ARG A 80 20.078 16.656 0.372 1.00 43.31 N ATOM 1339 CZ ARG A 80 21.156 17.107 1.009 1.00 72.15 C ATOM 1340 NH1 ARG A 80 22.247 16.346 1.106 1.00 63.53 N ATOM 1341 NH2 ARG A 80 21.132 18.312 1.560 1.00 4.25 N ATOM 0 H ARG A 80 17.870 11.700 -2.664 1.00 34.11 H new ATOM 0 HA ARG A 80 16.399 13.955 -1.902 1.00 33.51 H new ATOM 0 HB2 ARG A 80 18.541 13.129 -0.898 1.00 34.42 H new ATOM 0 HB3 ARG A 80 19.398 13.658 -2.333 1.00 34.42 H new ATOM 0 HG2 ARG A 80 18.730 15.992 -1.887 1.00 13.40 H new ATOM 0 HG3 ARG A 80 17.834 15.476 -0.472 1.00 13.40 H new ATOM 0 HD2 ARG A 80 19.952 14.566 0.505 1.00 24.43 H new ATOM 0 HD3 ARG A 80 20.829 15.159 -0.892 1.00 24.43 H new ATOM 0 HE ARG A 80 19.270 17.276 0.321 1.00 43.31 H new ATOM 0 HH11 ARG A 80 22.257 15.414 0.691 1.00 63.53 H new ATOM 0 HH12 ARG A 80 23.071 16.696 1.595 1.00 63.53 H new ATOM 0 HH21 ARG A 80 20.292 18.886 1.494 1.00 4.25 H new ATOM 0 HH22 ARG A 80 21.954 18.665 2.050 1.00 4.25 H new ATOM 1355 N THR A 81 17.778 14.304 -4.829 1.00 44.51 N ATOM 1356 CA THR A 81 17.831 15.164 -5.999 1.00 20.03 C ATOM 1357 C THR A 81 16.850 14.725 -7.098 1.00 41.42 C ATOM 1358 O THR A 81 16.855 15.274 -8.201 1.00 43.35 O ATOM 1359 CB THR A 81 19.263 15.213 -6.565 1.00 61.53 C ATOM 1360 OG1 THR A 81 19.746 13.873 -6.751 1.00 14.24 O ATOM 1361 CG2 THR A 81 20.195 15.966 -5.626 1.00 21.40 C ATOM 0 H THR A 81 18.205 13.387 -4.963 1.00 44.51 H new ATOM 0 HA THR A 81 17.531 16.160 -5.673 1.00 20.03 H new ATOM 0 HB THR A 81 19.242 15.738 -7.520 1.00 61.53 H new ATOM 0 HG1 THR A 81 20.656 13.901 -7.113 1.00 14.24 H new ATOM 0 HG21 THR A 81 21.199 15.986 -6.049 1.00 21.40 H new ATOM 0 HG22 THR A 81 19.835 16.987 -5.497 1.00 21.40 H new ATOM 0 HG23 THR A 81 20.219 15.465 -4.658 1.00 21.40 H new ATOM 1369 N ARG A 82 16.008 13.761 -6.800 1.00 72.13 N ATOM 1370 CA ARG A 82 15.057 13.264 -7.797 1.00 40.44 C ATOM 1371 C ARG A 82 13.624 13.376 -7.300 1.00 24.11 C ATOM 1372 O ARG A 82 12.690 13.551 -8.090 1.00 42.02 O ATOM 1373 CB ARG A 82 15.403 11.812 -8.209 1.00 70.33 C ATOM 1374 CG ARG A 82 14.431 11.156 -9.207 1.00 2.41 C ATOM 1375 CD ARG A 82 14.286 11.972 -10.489 1.00 24.13 C ATOM 1376 NE ARG A 82 13.367 11.337 -11.445 1.00 4.42 N ATOM 1377 CZ ARG A 82 12.219 11.879 -11.895 1.00 62.22 C ATOM 1378 NH1 ARG A 82 11.782 13.034 -11.411 1.00 3.32 N ATOM 1379 NH2 ARG A 82 11.505 11.252 -12.822 1.00 12.22 N ATOM 0 H ARG A 82 15.954 13.303 -5.890 1.00 72.13 H new ATOM 0 HA ARG A 82 15.140 13.892 -8.684 1.00 40.44 H new ATOM 0 HB2 ARG A 82 16.402 11.805 -8.644 1.00 70.33 H new ATOM 0 HB3 ARG A 82 15.442 11.197 -7.310 1.00 70.33 H new ATOM 0 HG2 ARG A 82 14.786 10.155 -9.453 1.00 2.41 H new ATOM 0 HG3 ARG A 82 13.454 11.041 -8.738 1.00 2.41 H new ATOM 0 HD2 ARG A 82 13.922 12.970 -10.244 1.00 24.13 H new ATOM 0 HD3 ARG A 82 15.264 12.095 -10.953 1.00 24.13 H new ATOM 0 HE ARG A 82 13.619 10.413 -11.795 1.00 4.42 H new ATOM 0 HH11 ARG A 82 12.317 13.520 -10.691 1.00 3.32 H new ATOM 0 HH12 ARG A 82 10.911 13.436 -11.759 1.00 3.32 H new ATOM 0 HH21 ARG A 82 11.826 10.358 -13.195 1.00 12.22 H new ATOM 0 HH22 ARG A 82 10.636 11.664 -13.162 1.00 12.22 H new ATOM 1393 N GLY A 83 13.457 13.289 -6.015 1.00 53.33 N ATOM 1394 CA GLY A 83 12.161 13.352 -5.440 1.00 51.13 C ATOM 1395 C GLY A 83 11.710 11.992 -5.004 1.00 14.42 C ATOM 1396 O GLY A 83 12.043 10.984 -5.636 1.00 21.25 O ATOM 0 H GLY A 83 14.216 13.173 -5.344 1.00 53.33 H new ATOM 0 HA2 GLY A 83 12.169 14.029 -4.586 1.00 51.13 H new ATOM 0 HA3 GLY A 83 11.456 13.760 -6.164 1.00 51.13 H new ATOM 1400 N LEU A 84 10.972 11.945 -3.932 1.00 51.53 N ATOM 1401 CA LEU A 84 10.478 10.700 -3.411 1.00 25.23 C ATOM 1402 C LEU A 84 9.160 10.396 -4.145 1.00 31.02 C ATOM 1403 O LEU A 84 8.669 9.265 -4.160 1.00 42.35 O ATOM 1404 CB LEU A 84 10.286 10.821 -1.876 1.00 53.42 C ATOM 1405 CG LEU A 84 10.355 9.516 -1.030 1.00 53.24 C ATOM 1406 CD1 LEU A 84 9.267 8.522 -1.371 1.00 63.32 C ATOM 1407 CD2 LEU A 84 11.724 8.875 -1.175 1.00 40.25 C ATOM 0 H LEU A 84 10.695 12.766 -3.394 1.00 51.53 H new ATOM 0 HA LEU A 84 11.177 9.880 -3.575 1.00 25.23 H new ATOM 0 HB2 LEU A 84 11.044 11.506 -1.497 1.00 53.42 H new ATOM 0 HB3 LEU A 84 9.317 11.286 -1.695 1.00 53.42 H new ATOM 0 HG LEU A 84 10.189 9.805 0.008 1.00 53.24 H new ATOM 0 HD11 LEU A 84 9.374 7.636 -0.745 1.00 63.32 H new ATOM 0 HD12 LEU A 84 8.292 8.975 -1.195 1.00 63.32 H new ATOM 0 HD13 LEU A 84 9.350 8.237 -2.420 1.00 63.32 H new ATOM 0 HD21 LEU A 84 11.763 7.963 -0.580 1.00 40.25 H new ATOM 0 HD22 LEU A 84 11.903 8.633 -2.223 1.00 40.25 H new ATOM 0 HD23 LEU A 84 12.489 9.569 -0.827 1.00 40.25 H new ATOM 1419 N GLU A 85 8.620 11.430 -4.783 1.00 40.24 N ATOM 1420 CA GLU A 85 7.398 11.335 -5.566 1.00 50.33 C ATOM 1421 C GLU A 85 7.543 10.263 -6.661 1.00 2.45 C ATOM 1422 O GLU A 85 6.591 9.554 -6.980 1.00 41.14 O ATOM 1423 CB GLU A 85 7.067 12.704 -6.167 1.00 43.41 C ATOM 1424 CG GLU A 85 5.796 12.754 -6.992 1.00 73.31 C ATOM 1425 CD GLU A 85 5.536 14.130 -7.539 1.00 23.55 C ATOM 1426 OE1 GLU A 85 6.043 14.460 -8.635 1.00 54.41 O ATOM 1427 OE2 GLU A 85 4.826 14.910 -6.893 1.00 43.22 O ATOM 0 H GLU A 85 9.025 12.366 -4.769 1.00 40.24 H new ATOM 0 HA GLU A 85 6.575 11.034 -4.918 1.00 50.33 H new ATOM 0 HB2 GLU A 85 6.985 13.429 -5.357 1.00 43.41 H new ATOM 0 HB3 GLU A 85 7.901 13.020 -6.794 1.00 43.41 H new ATOM 0 HG2 GLU A 85 5.870 12.044 -7.816 1.00 73.31 H new ATOM 0 HG3 GLU A 85 4.952 12.442 -6.377 1.00 73.31 H new ATOM 1434 N GLN A 86 8.753 10.134 -7.191 1.00 35.20 N ATOM 1435 CA GLN A 86 9.062 9.125 -8.192 1.00 51.45 C ATOM 1436 C GLN A 86 8.871 7.714 -7.623 1.00 55.12 C ATOM 1437 O GLN A 86 8.423 6.801 -8.329 1.00 31.14 O ATOM 1438 CB GLN A 86 10.503 9.299 -8.712 1.00 62.14 C ATOM 1439 CG GLN A 86 10.907 8.277 -9.767 1.00 33.44 C ATOM 1440 CD GLN A 86 10.004 8.311 -10.990 1.00 71.31 C ATOM 1441 OE1 GLN A 86 9.465 9.357 -11.361 1.00 35.52 O ATOM 1442 NE2 GLN A 86 9.818 7.174 -11.608 1.00 2.53 N ATOM 0 H GLN A 86 9.545 10.725 -6.939 1.00 35.20 H new ATOM 0 HA GLN A 86 8.372 9.256 -9.026 1.00 51.45 H new ATOM 0 HB2 GLN A 86 10.609 10.300 -9.131 1.00 62.14 H new ATOM 0 HB3 GLN A 86 11.193 9.230 -7.871 1.00 62.14 H new ATOM 0 HG2 GLN A 86 11.936 8.465 -10.074 1.00 33.44 H new ATOM 0 HG3 GLN A 86 10.882 7.279 -9.329 1.00 33.44 H new ATOM 0 HE21 GLN A 86 10.281 6.329 -11.272 1.00 2.53 H new ATOM 0 HE22 GLN A 86 9.210 7.132 -12.426 1.00 2.53 H new ATOM 1451 N ARG A 87 9.178 7.541 -6.345 1.00 34.35 N ATOM 1452 CA ARG A 87 9.050 6.242 -5.734 1.00 34.34 C ATOM 1453 C ARG A 87 7.584 5.944 -5.553 1.00 64.34 C ATOM 1454 O ARG A 87 7.131 4.848 -5.839 1.00 4.02 O ATOM 1455 CB ARG A 87 9.786 6.164 -4.406 1.00 34.12 C ATOM 1456 CG ARG A 87 10.035 4.740 -3.967 1.00 24.15 C ATOM 1457 CD ARG A 87 10.880 4.677 -2.703 1.00 22.14 C ATOM 1458 NE ARG A 87 11.573 3.376 -2.584 1.00 63.12 N ATOM 1459 CZ ARG A 87 12.649 3.136 -1.789 1.00 5.43 C ATOM 1460 NH1 ARG A 87 13.049 4.038 -0.915 1.00 31.43 N ATOM 1461 NH2 ARG A 87 13.306 1.990 -1.880 1.00 51.34 N ATOM 0 H ARG A 87 9.513 8.278 -5.725 1.00 34.35 H new ATOM 0 HA ARG A 87 9.507 5.497 -6.385 1.00 34.34 H new ATOM 0 HB2 ARG A 87 10.739 6.687 -4.491 1.00 34.12 H new ATOM 0 HB3 ARG A 87 9.206 6.681 -3.641 1.00 34.12 H new ATOM 0 HG2 ARG A 87 9.081 4.242 -3.792 1.00 24.15 H new ATOM 0 HG3 ARG A 87 10.537 4.196 -4.767 1.00 24.15 H new ATOM 0 HD2 ARG A 87 11.614 5.483 -2.713 1.00 22.14 H new ATOM 0 HD3 ARG A 87 10.246 4.835 -1.831 1.00 22.14 H new ATOM 0 HE ARG A 87 11.216 2.600 -3.141 1.00 63.12 H new ATOM 0 HH11 ARG A 87 12.550 4.924 -0.832 1.00 31.43 H new ATOM 0 HH12 ARG A 87 13.857 3.850 -0.322 1.00 31.43 H new ATOM 0 HH21 ARG A 87 13.005 1.282 -2.549 1.00 51.34 H new ATOM 0 HH22 ARG A 87 14.113 1.816 -1.281 1.00 51.34 H new ATOM 1475 N ARG A 88 6.845 6.949 -5.081 1.00 1.22 N ATOM 1476 CA ARG A 88 5.387 6.864 -4.989 1.00 30.02 C ATOM 1477 C ARG A 88 4.825 6.410 -6.314 1.00 42.41 C ATOM 1478 O ARG A 88 4.084 5.472 -6.369 1.00 31.14 O ATOM 1479 CB ARG A 88 4.771 8.227 -4.672 1.00 51.23 C ATOM 1480 CG ARG A 88 5.064 8.772 -3.304 1.00 23.52 C ATOM 1481 CD ARG A 88 4.485 10.168 -3.144 1.00 20.31 C ATOM 1482 NE ARG A 88 3.054 10.230 -3.455 1.00 10.11 N ATOM 1483 CZ ARG A 88 2.401 11.356 -3.780 1.00 3.33 C ATOM 1484 NH1 ARG A 88 3.048 12.527 -3.792 1.00 23.34 N ATOM 1485 NH2 ARG A 88 1.106 11.306 -4.091 1.00 15.35 N ATOM 0 H ARG A 88 7.234 7.834 -4.756 1.00 1.22 H new ATOM 0 HA ARG A 88 5.147 6.160 -4.193 1.00 30.02 H new ATOM 0 HB2 ARG A 88 5.123 8.945 -5.412 1.00 51.23 H new ATOM 0 HB3 ARG A 88 3.690 8.153 -4.789 1.00 51.23 H new ATOM 0 HG2 ARG A 88 4.644 8.110 -2.546 1.00 23.52 H new ATOM 0 HG3 ARG A 88 6.141 8.799 -3.142 1.00 23.52 H new ATOM 0 HD2 ARG A 88 4.644 10.507 -2.120 1.00 20.31 H new ATOM 0 HD3 ARG A 88 5.024 10.856 -3.795 1.00 20.31 H new ATOM 0 HE ARG A 88 2.520 9.361 -3.422 1.00 10.11 H new ATOM 0 HH11 ARG A 88 4.039 12.565 -3.554 1.00 23.34 H new ATOM 0 HH12 ARG A 88 2.550 13.382 -4.039 1.00 23.34 H new ATOM 0 HH21 ARG A 88 0.613 10.413 -4.082 1.00 15.35 H new ATOM 0 HH22 ARG A 88 0.608 12.161 -4.338 1.00 15.35 H new ATOM 1499 N GLN A 89 5.259 7.078 -7.372 1.00 34.13 N ATOM 1500 CA GLN A 89 4.775 6.844 -8.729 1.00 73.25 C ATOM 1501 C GLN A 89 4.883 5.369 -9.130 1.00 75.34 C ATOM 1502 O GLN A 89 3.879 4.738 -9.483 1.00 34.33 O ATOM 1503 CB GLN A 89 5.556 7.723 -9.721 1.00 74.42 C ATOM 1504 CG GLN A 89 5.082 7.612 -11.165 1.00 12.52 C ATOM 1505 CD GLN A 89 3.646 8.057 -11.338 1.00 52.44 C ATOM 1506 OE1 GLN A 89 2.716 7.264 -11.225 1.00 25.24 O ATOM 1507 NE2 GLN A 89 3.457 9.317 -11.604 1.00 44.11 N ATOM 0 H GLN A 89 5.968 7.809 -7.314 1.00 34.13 H new ATOM 0 HA GLN A 89 3.719 7.112 -8.756 1.00 73.25 H new ATOM 0 HB2 GLN A 89 5.480 8.763 -9.405 1.00 74.42 H new ATOM 0 HB3 GLN A 89 6.611 7.453 -9.675 1.00 74.42 H new ATOM 0 HG2 GLN A 89 5.726 8.217 -11.803 1.00 12.52 H new ATOM 0 HG3 GLN A 89 5.182 6.579 -11.499 1.00 12.52 H new ATOM 0 HE21 GLN A 89 4.256 9.945 -11.690 1.00 44.11 H new ATOM 0 HE22 GLN A 89 2.510 9.676 -11.726 1.00 44.11 H new ATOM 1516 N GLY A 90 6.086 4.826 -9.056 1.00 72.21 N ATOM 1517 CA GLY A 90 6.309 3.449 -9.454 1.00 62.22 C ATOM 1518 C GLY A 90 5.578 2.447 -8.575 1.00 11.44 C ATOM 1519 O GLY A 90 4.851 1.579 -9.070 1.00 22.01 O ATOM 0 H GLY A 90 6.918 5.315 -8.726 1.00 72.21 H new ATOM 0 HA2 GLY A 90 5.987 3.319 -10.487 1.00 62.22 H new ATOM 0 HA3 GLY A 90 7.378 3.237 -9.424 1.00 62.22 H new ATOM 1523 N LEU A 91 5.737 2.586 -7.280 1.00 1.33 N ATOM 1524 CA LEU A 91 5.155 1.645 -6.337 1.00 53.01 C ATOM 1525 C LEU A 91 3.623 1.726 -6.309 1.00 74.11 C ATOM 1526 O LEU A 91 2.941 0.704 -6.139 1.00 14.43 O ATOM 1527 CB LEU A 91 5.784 1.777 -4.922 1.00 13.22 C ATOM 1528 CG LEU A 91 7.269 1.303 -4.744 1.00 23.01 C ATOM 1529 CD1 LEU A 91 7.414 -0.162 -5.055 1.00 73.33 C ATOM 1530 CD2 LEU A 91 8.243 2.096 -5.595 1.00 62.13 C ATOM 0 H LEU A 91 6.266 3.344 -6.848 1.00 1.33 H new ATOM 0 HA LEU A 91 5.401 0.645 -6.694 1.00 53.01 H new ATOM 0 HB2 LEU A 91 5.727 2.824 -4.625 1.00 13.22 H new ATOM 0 HB3 LEU A 91 5.165 1.213 -4.224 1.00 13.22 H new ATOM 0 HG LEU A 91 7.516 1.480 -3.697 1.00 23.01 H new ATOM 0 HD11 LEU A 91 8.454 -0.461 -4.923 1.00 73.33 H new ATOM 0 HD12 LEU A 91 6.782 -0.741 -4.382 1.00 73.33 H new ATOM 0 HD13 LEU A 91 7.112 -0.347 -6.086 1.00 73.33 H new ATOM 0 HD21 LEU A 91 9.255 1.725 -5.431 1.00 62.13 H new ATOM 0 HD22 LEU A 91 7.981 1.984 -6.647 1.00 62.13 H new ATOM 0 HD23 LEU A 91 8.194 3.149 -5.319 1.00 62.13 H new ATOM 1542 N GLU A 92 3.089 2.923 -6.513 1.00 72.51 N ATOM 1543 CA GLU A 92 1.649 3.127 -6.577 1.00 3.02 C ATOM 1544 C GLU A 92 1.096 2.438 -7.801 1.00 12.02 C ATOM 1545 O GLU A 92 0.078 1.748 -7.727 1.00 42.42 O ATOM 1546 CB GLU A 92 1.316 4.617 -6.637 1.00 3.24 C ATOM 1547 CG GLU A 92 -0.155 4.924 -6.709 1.00 74.22 C ATOM 1548 CD GLU A 92 -0.433 6.396 -6.785 1.00 30.53 C ATOM 1549 OE1 GLU A 92 -0.438 7.056 -5.734 1.00 61.25 O ATOM 1550 OE2 GLU A 92 -0.688 6.903 -7.898 1.00 4.51 O ATOM 0 H GLU A 92 3.638 3.774 -6.638 1.00 72.51 H new ATOM 0 HA GLU A 92 1.198 2.705 -5.679 1.00 3.02 H new ATOM 0 HB2 GLU A 92 1.734 5.106 -5.757 1.00 3.24 H new ATOM 0 HB3 GLU A 92 1.808 5.052 -7.507 1.00 3.24 H new ATOM 0 HG2 GLU A 92 -0.583 4.431 -7.582 1.00 74.22 H new ATOM 0 HG3 GLU A 92 -0.653 4.509 -5.833 1.00 74.22 H new ATOM 1557 N ALA A 93 1.799 2.605 -8.923 1.00 44.33 N ATOM 1558 CA ALA A 93 1.400 2.021 -10.194 1.00 22.43 C ATOM 1559 C ALA A 93 1.280 0.513 -10.090 1.00 71.50 C ATOM 1560 O ALA A 93 0.415 -0.101 -10.723 1.00 54.45 O ATOM 1561 CB ALA A 93 2.393 2.393 -11.284 1.00 64.43 C ATOM 0 H ALA A 93 2.660 3.150 -8.970 1.00 44.33 H new ATOM 0 HA ALA A 93 0.421 2.423 -10.454 1.00 22.43 H new ATOM 0 HB1 ALA A 93 2.080 1.948 -12.229 1.00 64.43 H new ATOM 0 HB2 ALA A 93 2.430 3.477 -11.388 1.00 64.43 H new ATOM 0 HB3 ALA A 93 3.382 2.020 -11.018 1.00 64.43 H new ATOM 1567 N TYR A 94 2.134 -0.086 -9.285 1.00 11.25 N ATOM 1568 CA TYR A 94 2.100 -1.511 -9.107 1.00 2.32 C ATOM 1569 C TYR A 94 1.009 -1.989 -8.158 1.00 4.44 C ATOM 1570 O TYR A 94 0.442 -3.066 -8.367 1.00 12.54 O ATOM 1571 CB TYR A 94 3.468 -2.090 -8.787 1.00 42.41 C ATOM 1572 CG TYR A 94 4.418 -1.940 -9.948 1.00 62.54 C ATOM 1573 CD1 TYR A 94 4.087 -2.465 -11.182 1.00 50.24 C ATOM 1574 CD2 TYR A 94 5.629 -1.280 -9.820 1.00 63.55 C ATOM 1575 CE1 TYR A 94 4.919 -2.337 -12.265 1.00 51.12 C ATOM 1576 CE2 TYR A 94 6.481 -1.148 -10.905 1.00 42.13 C ATOM 1577 CZ TYR A 94 6.113 -1.680 -12.126 1.00 11.33 C ATOM 1578 OH TYR A 94 6.946 -1.552 -13.216 1.00 43.34 O ATOM 0 H TYR A 94 2.855 0.396 -8.748 1.00 11.25 H new ATOM 0 HA TYR A 94 1.816 -1.917 -10.078 1.00 2.32 H new ATOM 0 HB2 TYR A 94 3.880 -1.589 -7.911 1.00 42.41 H new ATOM 0 HB3 TYR A 94 3.367 -3.145 -8.532 1.00 42.41 H new ATOM 0 HD1 TYR A 94 3.150 -2.989 -11.297 1.00 50.24 H new ATOM 0 HD2 TYR A 94 5.912 -0.864 -8.865 1.00 63.55 H new ATOM 0 HE1 TYR A 94 4.635 -2.751 -13.221 1.00 51.12 H new ATOM 0 HE2 TYR A 94 7.425 -0.634 -10.797 1.00 42.13 H new ATOM 0 HH TYR A 94 7.753 -1.060 -12.955 1.00 43.34 H new ATOM 1588 N ILE A 95 0.704 -1.211 -7.125 1.00 63.34 N ATOM 1589 CA ILE A 95 -0.413 -1.564 -6.243 1.00 74.25 C ATOM 1590 C ILE A 95 -1.717 -1.364 -6.989 1.00 44.31 C ATOM 1591 O ILE A 95 -2.590 -2.221 -6.969 1.00 61.44 O ATOM 1592 CB ILE A 95 -0.425 -0.761 -4.913 1.00 52.32 C ATOM 1593 CG1 ILE A 95 0.819 -1.064 -4.092 1.00 1.02 C ATOM 1594 CG2 ILE A 95 -1.671 -1.065 -4.088 1.00 21.14 C ATOM 1595 CD1 ILE A 95 0.968 -2.530 -3.648 1.00 71.23 C ATOM 0 H ILE A 95 1.197 -0.353 -6.878 1.00 63.34 H new ATOM 0 HA ILE A 95 -0.288 -2.610 -5.963 1.00 74.25 H new ATOM 0 HB ILE A 95 -0.435 0.298 -5.173 1.00 52.32 H new ATOM 0 HG12 ILE A 95 1.697 -0.786 -4.676 1.00 1.02 H new ATOM 0 HG13 ILE A 95 0.813 -0.431 -3.205 1.00 1.02 H new ATOM 0 HG21 ILE A 95 -1.646 -0.486 -3.165 1.00 21.14 H new ATOM 0 HG22 ILE A 95 -2.560 -0.798 -4.660 1.00 21.14 H new ATOM 0 HG23 ILE A 95 -1.699 -2.128 -3.849 1.00 21.14 H new ATOM 0 HD11 ILE A 95 1.885 -2.644 -3.069 1.00 71.23 H new ATOM 0 HD12 ILE A 95 0.114 -2.813 -3.033 1.00 71.23 H new ATOM 0 HD13 ILE A 95 1.011 -3.174 -4.527 1.00 71.23 H new ATOM 1607 N GLN A 96 -1.818 -0.238 -7.683 1.00 21.32 N ATOM 1608 CA GLN A 96 -2.984 0.062 -8.489 1.00 55.14 C ATOM 1609 C GLN A 96 -3.126 -0.988 -9.584 1.00 15.04 C ATOM 1610 O GLN A 96 -4.228 -1.359 -9.969 1.00 23.33 O ATOM 1611 CB GLN A 96 -2.860 1.450 -9.113 1.00 4.24 C ATOM 1612 CG GLN A 96 -4.051 1.842 -9.962 1.00 51.13 C ATOM 1613 CD GLN A 96 -3.884 3.179 -10.631 1.00 10.44 C ATOM 1614 OE1 GLN A 96 -3.215 4.084 -10.114 1.00 12.33 O ATOM 1615 NE2 GLN A 96 -4.467 3.315 -11.783 1.00 64.24 N ATOM 0 H GLN A 96 -1.098 0.485 -7.701 1.00 21.32 H new ATOM 0 HA GLN A 96 -3.868 0.048 -7.852 1.00 55.14 H new ATOM 0 HB2 GLN A 96 -2.732 2.186 -8.319 1.00 4.24 H new ATOM 0 HB3 GLN A 96 -1.960 1.484 -9.727 1.00 4.24 H new ATOM 0 HG2 GLN A 96 -4.214 1.079 -10.723 1.00 51.13 H new ATOM 0 HG3 GLN A 96 -4.944 1.864 -9.337 1.00 51.13 H new ATOM 0 HE21 GLN A 96 -5.009 2.545 -12.174 1.00 64.24 H new ATOM 0 HE22 GLN A 96 -4.383 4.192 -12.297 1.00 64.24 H new ATOM 1624 N GLY A 97 -1.984 -1.465 -10.067 1.00 42.22 N ATOM 1625 CA GLY A 97 -1.951 -2.497 -11.067 1.00 34.32 C ATOM 1626 C GLY A 97 -2.645 -3.754 -10.599 1.00 75.04 C ATOM 1627 O GLY A 97 -3.583 -4.199 -11.224 1.00 4.23 O ATOM 0 H GLY A 97 -1.064 -1.141 -9.770 1.00 42.22 H new ATOM 0 HA2 GLY A 97 -2.428 -2.136 -11.978 1.00 34.32 H new ATOM 0 HA3 GLY A 97 -0.916 -2.726 -11.319 1.00 34.32 H new ATOM 1631 N ILE A 98 -2.208 -4.299 -9.474 1.00 1.34 N ATOM 1632 CA ILE A 98 -2.807 -5.528 -8.933 1.00 23.14 C ATOM 1633 C ILE A 98 -4.250 -5.294 -8.474 1.00 52.24 C ATOM 1634 O ILE A 98 -5.111 -6.199 -8.566 1.00 25.43 O ATOM 1635 CB ILE A 98 -1.944 -6.157 -7.812 1.00 42.20 C ATOM 1636 CG1 ILE A 98 -1.678 -5.160 -6.679 1.00 44.43 C ATOM 1637 CG2 ILE A 98 -0.648 -6.663 -8.389 1.00 71.42 C ATOM 1638 CD1 ILE A 98 -0.794 -5.691 -5.565 1.00 31.04 C ATOM 0 H ILE A 98 -1.445 -3.919 -8.914 1.00 1.34 H new ATOM 0 HA ILE A 98 -2.836 -6.252 -9.748 1.00 23.14 H new ATOM 0 HB ILE A 98 -2.497 -6.994 -7.385 1.00 42.20 H new ATOM 0 HG12 ILE A 98 -1.214 -4.268 -7.099 1.00 44.43 H new ATOM 0 HG13 ILE A 98 -2.632 -4.852 -6.252 1.00 44.43 H new ATOM 0 HG21 ILE A 98 -0.044 -7.105 -7.596 1.00 71.42 H new ATOM 0 HG22 ILE A 98 -0.857 -7.417 -9.148 1.00 71.42 H new ATOM 0 HG23 ILE A 98 -0.103 -5.834 -8.841 1.00 71.42 H new ATOM 0 HD11 ILE A 98 -0.660 -4.919 -4.808 1.00 31.04 H new ATOM 0 HD12 ILE A 98 -1.264 -6.565 -5.113 1.00 31.04 H new ATOM 0 HD13 ILE A 98 0.177 -5.971 -5.973 1.00 31.04 H new ATOM 1650 N LEU A 99 -4.510 -4.075 -8.021 1.00 13.42 N ATOM 1651 CA LEU A 99 -5.837 -3.626 -7.656 1.00 4.33 C ATOM 1652 C LEU A 99 -6.766 -3.615 -8.888 1.00 33.23 C ATOM 1653 O LEU A 99 -7.976 -3.844 -8.785 1.00 13.31 O ATOM 1654 CB LEU A 99 -5.728 -2.243 -6.870 1.00 74.24 C ATOM 1655 CG LEU A 99 -6.959 -1.306 -6.687 1.00 5.43 C ATOM 1656 CD1 LEU A 99 -7.337 -0.600 -7.972 1.00 1.15 C ATOM 1657 CD2 LEU A 99 -8.154 -2.036 -6.097 1.00 55.54 C ATOM 0 H LEU A 99 -3.790 -3.363 -7.897 1.00 13.42 H new ATOM 0 HA LEU A 99 -6.311 -4.324 -6.966 1.00 4.33 H new ATOM 0 HB2 LEU A 99 -5.357 -2.476 -5.872 1.00 74.24 H new ATOM 0 HB3 LEU A 99 -4.956 -1.657 -7.368 1.00 74.24 H new ATOM 0 HG LEU A 99 -6.654 -0.543 -5.971 1.00 5.43 H new ATOM 0 HD11 LEU A 99 -8.200 0.042 -7.794 1.00 1.15 H new ATOM 0 HD12 LEU A 99 -6.498 0.006 -8.314 1.00 1.15 H new ATOM 0 HD13 LEU A 99 -7.585 -1.339 -8.734 1.00 1.15 H new ATOM 0 HD21 LEU A 99 -8.987 -1.342 -5.988 1.00 55.54 H new ATOM 0 HD22 LEU A 99 -8.445 -2.852 -6.759 1.00 55.54 H new ATOM 0 HD23 LEU A 99 -7.888 -2.439 -5.120 1.00 55.54 H new ATOM 1669 N TYR A 100 -6.190 -3.394 -10.038 1.00 34.15 N ATOM 1670 CA TYR A 100 -6.932 -3.358 -11.269 1.00 63.33 C ATOM 1671 C TYR A 100 -6.985 -4.759 -11.920 1.00 74.22 C ATOM 1672 O TYR A 100 -8.020 -5.165 -12.467 1.00 15.41 O ATOM 1673 CB TYR A 100 -6.283 -2.336 -12.223 1.00 32.24 C ATOM 1674 CG TYR A 100 -7.048 -2.092 -13.499 1.00 50.43 C ATOM 1675 CD1 TYR A 100 -8.083 -1.173 -13.528 1.00 21.20 C ATOM 1676 CD2 TYR A 100 -6.733 -2.766 -14.671 1.00 52.05 C ATOM 1677 CE1 TYR A 100 -8.785 -0.931 -14.681 1.00 1.25 C ATOM 1678 CE2 TYR A 100 -7.435 -2.528 -15.833 1.00 65.42 C ATOM 1679 CZ TYR A 100 -8.460 -1.609 -15.830 1.00 53.44 C ATOM 1680 OH TYR A 100 -9.165 -1.362 -16.981 1.00 32.41 O ATOM 0 H TYR A 100 -5.189 -3.233 -10.148 1.00 34.15 H new ATOM 0 HA TYR A 100 -7.957 -3.053 -11.060 1.00 63.33 H new ATOM 0 HB2 TYR A 100 -6.170 -1.388 -11.696 1.00 32.24 H new ATOM 0 HB3 TYR A 100 -5.281 -2.681 -12.477 1.00 32.24 H new ATOM 0 HD1 TYR A 100 -8.342 -0.637 -12.627 1.00 21.20 H new ATOM 0 HD2 TYR A 100 -5.928 -3.486 -14.672 1.00 52.05 H new ATOM 0 HE1 TYR A 100 -9.590 -0.211 -14.685 1.00 1.25 H new ATOM 0 HE2 TYR A 100 -7.183 -3.059 -16.739 1.00 65.42 H new ATOM 0 HH TYR A 100 -8.813 -1.920 -17.706 1.00 32.41 H new ATOM 1690 N LEU A 101 -5.878 -5.491 -11.821 1.00 44.43 N ATOM 1691 CA LEU A 101 -5.706 -6.800 -12.470 1.00 54.41 C ATOM 1692 C LEU A 101 -6.707 -7.863 -12.050 1.00 61.42 C ATOM 1693 O LEU A 101 -7.410 -8.412 -12.906 1.00 53.43 O ATOM 1694 CB LEU A 101 -4.281 -7.347 -12.284 1.00 53.21 C ATOM 1695 CG LEU A 101 -3.146 -6.590 -12.988 1.00 2.32 C ATOM 1696 CD1 LEU A 101 -1.810 -7.202 -12.638 1.00 44.15 C ATOM 1697 CD2 LEU A 101 -3.335 -6.622 -14.488 1.00 10.42 C ATOM 0 H LEU A 101 -5.063 -5.194 -11.284 1.00 44.43 H new ATOM 0 HA LEU A 101 -5.896 -6.592 -13.523 1.00 54.41 H new ATOM 0 HB2 LEU A 101 -4.063 -7.368 -11.216 1.00 53.21 H new ATOM 0 HB3 LEU A 101 -4.266 -8.380 -12.632 1.00 53.21 H new ATOM 0 HG LEU A 101 -3.169 -5.555 -12.648 1.00 2.32 H new ATOM 0 HD11 LEU A 101 -1.015 -6.655 -13.145 1.00 44.15 H new ATOM 0 HD12 LEU A 101 -1.657 -7.149 -11.560 1.00 44.15 H new ATOM 0 HD13 LEU A 101 -1.793 -8.244 -12.956 1.00 44.15 H new ATOM 0 HD21 LEU A 101 -2.521 -6.080 -14.969 1.00 10.42 H new ATOM 0 HD22 LEU A 101 -3.336 -7.656 -14.833 1.00 10.42 H new ATOM 0 HD23 LEU A 101 -4.285 -6.153 -14.745 1.00 10.42 H new ATOM 1709 N ASN A 102 -6.797 -8.169 -10.763 1.00 21.43 N ATOM 1710 CA ASN A 102 -7.660 -9.289 -10.371 1.00 43.14 C ATOM 1711 C ASN A 102 -8.209 -9.194 -8.963 1.00 2.22 C ATOM 1712 O ASN A 102 -9.419 -9.087 -8.772 1.00 30.33 O ATOM 1713 CB ASN A 102 -6.920 -10.639 -10.548 1.00 43.23 C ATOM 1714 CG ASN A 102 -7.770 -11.844 -10.141 1.00 74.52 C ATOM 1715 OD1 ASN A 102 -8.994 -11.826 -10.245 1.00 12.23 O ATOM 1716 ND2 ASN A 102 -7.131 -12.897 -9.697 1.00 30.14 N ATOM 0 H ASN A 102 -6.314 -7.690 -10.003 1.00 21.43 H new ATOM 0 HA ASN A 102 -8.518 -9.234 -11.041 1.00 43.14 H new ATOM 0 HB2 ASN A 102 -6.620 -10.749 -11.590 1.00 43.23 H new ATOM 0 HB3 ASN A 102 -6.007 -10.627 -9.953 1.00 43.23 H new ATOM 0 HD21 ASN A 102 -7.650 -13.732 -9.426 1.00 30.14 H new ATOM 0 HD22 ASN A 102 -6.114 -12.882 -9.622 1.00 30.14 H new ATOM 1723 N GLN A 103 -7.336 -9.239 -7.979 1.00 75.24 N ATOM 1724 CA GLN A 103 -7.783 -9.359 -6.601 1.00 25.31 C ATOM 1725 C GLN A 103 -8.305 -8.082 -6.003 1.00 45.30 C ATOM 1726 O GLN A 103 -8.978 -8.136 -4.969 1.00 30.23 O ATOM 1727 CB GLN A 103 -6.709 -9.971 -5.702 1.00 11.21 C ATOM 1728 CG GLN A 103 -6.324 -11.390 -6.080 1.00 13.34 C ATOM 1729 CD GLN A 103 -7.497 -12.359 -6.057 1.00 33.24 C ATOM 1730 OE1 GLN A 103 -7.524 -13.313 -6.810 1.00 15.05 O ATOM 1731 NE2 GLN A 103 -8.451 -12.140 -5.183 1.00 75.21 N ATOM 0 H GLN A 103 -6.324 -9.195 -8.101 1.00 75.24 H new ATOM 0 HA GLN A 103 -8.633 -10.040 -6.650 1.00 25.31 H new ATOM 0 HB2 GLN A 103 -5.819 -9.342 -5.736 1.00 11.21 H new ATOM 0 HB3 GLN A 103 -7.065 -9.964 -4.672 1.00 11.21 H new ATOM 0 HG2 GLN A 103 -5.885 -11.386 -7.077 1.00 13.34 H new ATOM 0 HG3 GLN A 103 -5.555 -11.745 -5.394 1.00 13.34 H new ATOM 0 HE21 GLN A 103 -8.400 -11.331 -4.565 1.00 75.21 H new ATOM 0 HE22 GLN A 103 -9.243 -12.779 -5.122 1.00 75.21 H new ATOM 1740 N GLU A 104 -8.018 -6.949 -6.652 1.00 52.53 N ATOM 1741 CA GLU A 104 -8.408 -5.612 -6.171 1.00 5.21 C ATOM 1742 C GLU A 104 -7.633 -5.313 -4.887 1.00 34.11 C ATOM 1743 O GLU A 104 -6.600 -4.667 -4.905 1.00 21.44 O ATOM 1744 CB GLU A 104 -9.931 -5.513 -5.938 1.00 51.13 C ATOM 1745 CG GLU A 104 -10.759 -5.928 -7.139 1.00 40.22 C ATOM 1746 CD GLU A 104 -12.232 -5.916 -6.852 1.00 13.45 C ATOM 1747 OE1 GLU A 104 -12.655 -6.517 -5.833 1.00 72.52 O ATOM 1748 OE2 GLU A 104 -12.991 -5.308 -7.621 1.00 40.01 O ATOM 0 H GLU A 104 -7.505 -6.930 -7.533 1.00 52.53 H new ATOM 0 HA GLU A 104 -8.162 -4.871 -6.931 1.00 5.21 H new ATOM 0 HB2 GLU A 104 -10.201 -6.139 -5.088 1.00 51.13 H new ATOM 0 HB3 GLU A 104 -10.183 -4.487 -5.671 1.00 51.13 H new ATOM 0 HG2 GLU A 104 -10.549 -5.256 -7.971 1.00 40.22 H new ATOM 0 HG3 GLU A 104 -10.461 -6.928 -7.454 1.00 40.22 H new ATOM 1755 N VAL A 105 -8.111 -5.827 -3.805 1.00 44.41 N ATOM 1756 CA VAL A 105 -7.401 -5.802 -2.584 1.00 4.34 C ATOM 1757 C VAL A 105 -7.288 -7.246 -2.109 1.00 63.44 C ATOM 1758 O VAL A 105 -8.266 -7.848 -1.634 1.00 55.12 O ATOM 1759 CB VAL A 105 -7.999 -4.834 -1.493 1.00 45.14 C ATOM 1760 CG1 VAL A 105 -9.449 -5.156 -1.158 1.00 25.33 C ATOM 1761 CG2 VAL A 105 -7.136 -4.870 -0.234 1.00 24.33 C ATOM 0 H VAL A 105 -9.022 -6.283 -3.749 1.00 44.41 H new ATOM 0 HA VAL A 105 -6.414 -5.373 -2.754 1.00 4.34 H new ATOM 0 HB VAL A 105 -7.990 -3.827 -1.911 1.00 45.14 H new ATOM 0 HG11 VAL A 105 -9.811 -4.459 -0.402 1.00 25.33 H new ATOM 0 HG12 VAL A 105 -10.059 -5.065 -2.057 1.00 25.33 H new ATOM 0 HG13 VAL A 105 -9.516 -6.174 -0.775 1.00 25.33 H new ATOM 0 HG21 VAL A 105 -7.556 -4.198 0.515 1.00 24.33 H new ATOM 0 HG22 VAL A 105 -7.112 -5.885 0.162 1.00 24.33 H new ATOM 0 HG23 VAL A 105 -6.122 -4.552 -0.478 1.00 24.33 H new ATOM 1771 N PRO A 106 -6.124 -7.863 -2.353 1.00 20.22 N ATOM 1772 CA PRO A 106 -5.886 -9.248 -2.000 1.00 52.22 C ATOM 1773 C PRO A 106 -6.150 -9.523 -0.535 1.00 14.04 C ATOM 1774 O PRO A 106 -5.772 -8.731 0.337 1.00 23.11 O ATOM 1775 CB PRO A 106 -4.413 -9.477 -2.323 1.00 63.54 C ATOM 1776 CG PRO A 106 -4.057 -8.414 -3.298 1.00 61.43 C ATOM 1777 CD PRO A 106 -4.955 -7.249 -3.011 1.00 43.12 C ATOM 0 HA PRO A 106 -6.555 -9.913 -2.546 1.00 52.22 H new ATOM 0 HB2 PRO A 106 -3.798 -9.410 -1.425 1.00 63.54 H new ATOM 0 HB3 PRO A 106 -4.252 -10.469 -2.746 1.00 63.54 H new ATOM 0 HG2 PRO A 106 -3.010 -8.130 -3.196 1.00 61.43 H new ATOM 0 HG3 PRO A 106 -4.194 -8.765 -4.321 1.00 61.43 H new ATOM 0 HD2 PRO A 106 -4.469 -6.519 -2.364 1.00 43.12 H new ATOM 0 HD3 PRO A 106 -5.238 -6.727 -3.925 1.00 43.12 H new ATOM 1785 N LYS A 107 -6.778 -10.665 -0.275 1.00 41.33 N ATOM 1786 CA LYS A 107 -7.144 -11.111 1.067 1.00 34.35 C ATOM 1787 C LYS A 107 -5.861 -11.229 1.915 1.00 73.02 C ATOM 1788 O LYS A 107 -5.888 -11.124 3.143 1.00 71.33 O ATOM 1789 CB LYS A 107 -7.904 -12.466 0.934 1.00 61.44 C ATOM 1790 CG LYS A 107 -8.710 -12.966 2.160 1.00 54.23 C ATOM 1791 CD LYS A 107 -7.860 -13.398 3.342 1.00 63.24 C ATOM 1792 CE LYS A 107 -8.736 -13.915 4.473 1.00 4.42 C ATOM 1793 NZ LYS A 107 -7.946 -14.378 5.624 1.00 3.40 N ATOM 0 H LYS A 107 -7.053 -11.321 -1.006 1.00 41.33 H new ATOM 0 HA LYS A 107 -7.802 -10.403 1.570 1.00 34.35 H new ATOM 0 HB2 LYS A 107 -8.592 -12.383 0.092 1.00 61.44 H new ATOM 0 HB3 LYS A 107 -7.176 -13.235 0.676 1.00 61.44 H new ATOM 0 HG2 LYS A 107 -9.383 -12.172 2.484 1.00 54.23 H new ATOM 0 HG3 LYS A 107 -9.333 -13.806 1.851 1.00 54.23 H new ATOM 0 HD2 LYS A 107 -7.163 -14.176 3.030 1.00 63.24 H new ATOM 0 HD3 LYS A 107 -7.262 -12.557 3.693 1.00 63.24 H new ATOM 0 HE2 LYS A 107 -9.414 -13.125 4.795 1.00 4.42 H new ATOM 0 HE3 LYS A 107 -9.354 -14.735 4.106 1.00 4.42 H new ATOM 0 HZ1 LYS A 107 -8.371 -15.245 6.010 1.00 3.40 H new ATOM 0 HZ2 LYS A 107 -6.972 -14.576 5.319 1.00 3.40 H new ATOM 0 HZ3 LYS A 107 -7.936 -13.641 6.358 1.00 3.40 H new ATOM 1807 N GLU A 108 -4.739 -11.395 1.235 1.00 34.11 N ATOM 1808 CA GLU A 108 -3.455 -11.464 1.873 1.00 52.33 C ATOM 1809 C GLU A 108 -3.131 -10.159 2.617 1.00 55.33 C ATOM 1810 O GLU A 108 -2.585 -10.206 3.705 1.00 73.15 O ATOM 1811 CB GLU A 108 -2.367 -11.814 0.866 1.00 11.52 C ATOM 1812 CG GLU A 108 -1.002 -12.001 1.481 1.00 31.21 C ATOM 1813 CD GLU A 108 0.003 -12.512 0.501 1.00 42.40 C ATOM 1814 OE1 GLU A 108 -0.058 -13.720 0.174 1.00 74.50 O ATOM 1815 OE2 GLU A 108 0.882 -11.756 0.088 1.00 22.23 O ATOM 0 H GLU A 108 -4.704 -11.485 0.220 1.00 34.11 H new ATOM 0 HA GLU A 108 -3.492 -12.261 2.615 1.00 52.33 H new ATOM 0 HB2 GLU A 108 -2.648 -12.729 0.345 1.00 11.52 H new ATOM 0 HB3 GLU A 108 -2.312 -11.025 0.116 1.00 11.52 H new ATOM 0 HG2 GLU A 108 -0.657 -11.050 1.888 1.00 31.21 H new ATOM 0 HG3 GLU A 108 -1.076 -12.697 2.317 1.00 31.21 H new ATOM 1822 N LEU A 109 -3.526 -8.993 2.041 1.00 63.31 N ATOM 1823 CA LEU A 109 -3.302 -7.687 2.690 1.00 45.20 C ATOM 1824 C LEU A 109 -4.105 -7.608 3.954 1.00 74.32 C ATOM 1825 O LEU A 109 -3.685 -6.999 4.953 1.00 20.13 O ATOM 1826 CB LEU A 109 -3.670 -6.495 1.775 1.00 73.32 C ATOM 1827 CG LEU A 109 -2.692 -6.099 0.655 1.00 31.51 C ATOM 1828 CD1 LEU A 109 -1.392 -5.609 1.243 1.00 21.43 C ATOM 1829 CD2 LEU A 109 -2.440 -7.238 -0.309 1.00 44.44 C ATOM 0 H LEU A 109 -3.996 -8.937 1.137 1.00 63.31 H new ATOM 0 HA LEU A 109 -2.236 -7.616 2.907 1.00 45.20 H new ATOM 0 HB2 LEU A 109 -4.631 -6.717 1.312 1.00 73.32 H new ATOM 0 HB3 LEU A 109 -3.817 -5.622 2.411 1.00 73.32 H new ATOM 0 HG LEU A 109 -3.155 -5.291 0.088 1.00 31.51 H new ATOM 0 HD11 LEU A 109 -0.710 -5.333 0.439 1.00 21.43 H new ATOM 0 HD12 LEU A 109 -1.582 -4.740 1.872 1.00 21.43 H new ATOM 0 HD13 LEU A 109 -0.943 -6.400 1.843 1.00 21.43 H new ATOM 0 HD21 LEU A 109 -1.744 -6.913 -1.082 1.00 44.44 H new ATOM 0 HD22 LEU A 109 -2.014 -8.084 0.231 1.00 44.44 H new ATOM 0 HD23 LEU A 109 -3.381 -7.539 -0.770 1.00 44.44 H new ATOM 1841 N LEU A 110 -5.245 -8.246 3.918 1.00 12.51 N ATOM 1842 CA LEU A 110 -6.135 -8.313 5.039 1.00 64.11 C ATOM 1843 C LEU A 110 -5.470 -9.015 6.215 1.00 13.40 C ATOM 1844 O LEU A 110 -5.626 -8.599 7.343 1.00 40.41 O ATOM 1845 CB LEU A 110 -7.485 -8.965 4.656 1.00 1.41 C ATOM 1846 CG LEU A 110 -8.474 -8.126 3.790 1.00 62.43 C ATOM 1847 CD1 LEU A 110 -7.861 -7.659 2.480 1.00 52.42 C ATOM 1848 CD2 LEU A 110 -9.742 -8.919 3.521 1.00 51.44 C ATOM 0 H LEU A 110 -5.584 -8.741 3.093 1.00 12.51 H new ATOM 0 HA LEU A 110 -6.361 -7.294 5.353 1.00 64.11 H new ATOM 0 HB2 LEU A 110 -7.271 -9.890 4.120 1.00 1.41 H new ATOM 0 HB3 LEU A 110 -7.997 -9.242 5.577 1.00 1.41 H new ATOM 0 HG LEU A 110 -8.715 -7.232 4.365 1.00 62.43 H new ATOM 0 HD11 LEU A 110 -8.596 -7.080 1.920 1.00 52.42 H new ATOM 0 HD12 LEU A 110 -6.990 -7.037 2.687 1.00 52.42 H new ATOM 0 HD13 LEU A 110 -7.556 -8.525 1.892 1.00 52.42 H new ATOM 0 HD21 LEU A 110 -10.423 -8.321 2.916 1.00 51.44 H new ATOM 0 HD22 LEU A 110 -9.491 -9.836 2.987 1.00 51.44 H new ATOM 0 HD23 LEU A 110 -10.222 -9.170 4.467 1.00 51.44 H new ATOM 1860 N GLU A 111 -4.753 -10.078 5.947 1.00 11.12 N ATOM 1861 CA GLU A 111 -3.958 -10.754 6.981 1.00 35.32 C ATOM 1862 C GLU A 111 -2.620 -10.019 7.256 1.00 70.12 C ATOM 1863 O GLU A 111 -2.021 -10.176 8.307 1.00 70.05 O ATOM 1864 CB GLU A 111 -3.656 -12.201 6.589 1.00 3.23 C ATOM 1865 CG GLU A 111 -4.875 -13.079 6.374 1.00 23.34 C ATOM 1866 CD GLU A 111 -5.781 -13.142 7.579 1.00 70.43 C ATOM 1867 OE1 GLU A 111 -5.364 -13.655 8.639 1.00 13.32 O ATOM 1868 OE2 GLU A 111 -6.929 -12.677 7.484 1.00 4.31 O ATOM 0 H GLU A 111 -4.694 -10.506 5.023 1.00 11.12 H new ATOM 0 HA GLU A 111 -4.560 -10.740 7.889 1.00 35.32 H new ATOM 0 HB2 GLU A 111 -3.065 -12.197 5.673 1.00 3.23 H new ATOM 0 HB3 GLU A 111 -3.037 -12.650 7.366 1.00 3.23 H new ATOM 0 HG2 GLU A 111 -5.440 -12.703 5.522 1.00 23.34 H new ATOM 0 HG3 GLU A 111 -4.548 -14.087 6.120 1.00 23.34 H new ATOM 1875 N PHE A 112 -2.199 -9.203 6.306 1.00 4.22 N ATOM 1876 CA PHE A 112 -0.831 -8.651 6.257 1.00 15.44 C ATOM 1877 C PHE A 112 -0.719 -7.407 7.111 1.00 3.23 C ATOM 1878 O PHE A 112 0.165 -7.280 7.960 1.00 52.11 O ATOM 1879 CB PHE A 112 -0.542 -8.312 4.782 1.00 63.04 C ATOM 1880 CG PHE A 112 0.875 -8.075 4.382 1.00 71.40 C ATOM 1881 CD1 PHE A 112 1.758 -9.133 4.292 1.00 43.01 C ATOM 1882 CD2 PHE A 112 1.315 -6.813 4.053 1.00 61.33 C ATOM 1883 CE1 PHE A 112 3.054 -8.933 3.889 1.00 34.14 C ATOM 1884 CE2 PHE A 112 2.604 -6.607 3.642 1.00 24.24 C ATOM 1885 CZ PHE A 112 3.480 -7.670 3.560 1.00 70.23 C ATOM 0 H PHE A 112 -2.791 -8.894 5.535 1.00 4.22 H new ATOM 0 HA PHE A 112 -0.112 -9.373 6.645 1.00 15.44 H new ATOM 0 HB2 PHE A 112 -0.930 -9.127 4.170 1.00 63.04 H new ATOM 0 HB3 PHE A 112 -1.115 -7.421 4.526 1.00 63.04 H new ATOM 0 HD1 PHE A 112 1.424 -10.129 4.542 1.00 43.01 H new ATOM 0 HD2 PHE A 112 0.636 -5.976 4.120 1.00 61.33 H new ATOM 0 HE1 PHE A 112 3.738 -9.767 3.831 1.00 34.14 H new ATOM 0 HE2 PHE A 112 2.936 -5.613 3.382 1.00 24.24 H new ATOM 0 HZ PHE A 112 4.498 -7.509 3.238 1.00 70.23 H new ATOM 1895 N LEU A 113 -1.615 -6.496 6.878 1.00 12.50 N ATOM 1896 CA LEU A 113 -1.640 -5.228 7.587 1.00 44.01 C ATOM 1897 C LEU A 113 -2.787 -5.261 8.558 1.00 5.11 C ATOM 1898 O LEU A 113 -2.988 -4.343 9.352 1.00 31.42 O ATOM 1899 CB LEU A 113 -1.915 -4.145 6.569 1.00 23.13 C ATOM 1900 CG LEU A 113 -0.993 -4.114 5.364 1.00 43.33 C ATOM 1901 CD1 LEU A 113 -1.571 -3.213 4.301 1.00 72.13 C ATOM 1902 CD2 LEU A 113 0.402 -3.656 5.766 1.00 44.52 C ATOM 0 H LEU A 113 -2.359 -6.601 6.188 1.00 12.50 H new ATOM 0 HA LEU A 113 -0.700 -5.048 8.109 1.00 44.01 H new ATOM 0 HB2 LEU A 113 -2.939 -4.259 6.215 1.00 23.13 H new ATOM 0 HB3 LEU A 113 -1.857 -3.179 7.071 1.00 23.13 H new ATOM 0 HG LEU A 113 -0.908 -5.122 4.958 1.00 43.33 H new ATOM 0 HD11 LEU A 113 -0.905 -3.194 3.438 1.00 72.13 H new ATOM 0 HD12 LEU A 113 -2.548 -3.589 3.997 1.00 72.13 H new ATOM 0 HD13 LEU A 113 -1.678 -2.204 4.698 1.00 72.13 H new ATOM 0 HD21 LEU A 113 1.047 -3.641 4.888 1.00 44.52 H new ATOM 0 HD22 LEU A 113 0.347 -2.655 6.193 1.00 44.52 H new ATOM 0 HD23 LEU A 113 0.812 -4.344 6.505 1.00 44.52 H new ATOM 1914 N ARG A 114 -3.513 -6.356 8.487 1.00 11.03 N ATOM 1915 CA ARG A 114 -4.748 -6.561 9.185 1.00 73.40 C ATOM 1916 C ARG A 114 -5.815 -5.597 8.669 1.00 44.44 C ATOM 1917 O ARG A 114 -6.299 -4.717 9.367 1.00 54.21 O ATOM 1918 CB ARG A 114 -4.619 -6.593 10.718 1.00 54.24 C ATOM 1919 CG ARG A 114 -5.917 -6.949 11.421 1.00 51.33 C ATOM 1920 CD ARG A 114 -5.727 -7.116 12.906 1.00 21.11 C ATOM 1921 NE ARG A 114 -6.988 -7.471 13.559 1.00 65.11 N ATOM 1922 CZ ARG A 114 -7.134 -8.429 14.478 1.00 72.32 C ATOM 1923 NH1 ARG A 114 -6.074 -9.122 14.909 1.00 24.31 N ATOM 1924 NH2 ARG A 114 -8.341 -8.679 14.978 1.00 73.32 N ATOM 0 H ARG A 114 -3.241 -7.156 7.916 1.00 11.03 H new ATOM 0 HA ARG A 114 -5.080 -7.573 8.954 1.00 73.40 H new ATOM 0 HB2 ARG A 114 -3.853 -7.316 10.996 1.00 54.24 H new ATOM 0 HB3 ARG A 114 -4.280 -5.618 11.068 1.00 54.24 H new ATOM 0 HG2 ARG A 114 -6.656 -6.169 11.235 1.00 51.33 H new ATOM 0 HG3 ARG A 114 -6.316 -7.872 11.000 1.00 51.33 H new ATOM 0 HD2 ARG A 114 -4.984 -7.890 13.096 1.00 21.11 H new ATOM 0 HD3 ARG A 114 -5.340 -6.191 13.333 1.00 21.11 H new ATOM 0 HE ARG A 114 -7.820 -6.946 13.291 1.00 65.11 H new ATOM 0 HH11 ARG A 114 -5.147 -8.920 14.536 1.00 24.31 H new ATOM 0 HH12 ARG A 114 -6.193 -9.852 15.611 1.00 24.31 H new ATOM 0 HH21 ARG A 114 -9.147 -8.141 14.659 1.00 73.32 H new ATOM 0 HH22 ARG A 114 -8.461 -9.409 15.680 1.00 73.32 H new ATOM 1938 N LEU A 115 -6.108 -5.742 7.391 1.00 63.32 N ATOM 1939 CA LEU A 115 -7.097 -4.910 6.719 1.00 41.31 C ATOM 1940 C LEU A 115 -8.413 -5.657 6.645 1.00 13.12 C ATOM 1941 O LEU A 115 -9.371 -5.180 6.051 1.00 32.41 O ATOM 1942 CB LEU A 115 -6.668 -4.597 5.269 1.00 14.34 C ATOM 1943 CG LEU A 115 -5.319 -3.975 5.022 1.00 31.02 C ATOM 1944 CD1 LEU A 115 -5.178 -3.647 3.540 1.00 74.22 C ATOM 1945 CD2 LEU A 115 -5.102 -2.758 5.888 1.00 31.32 C ATOM 0 H LEU A 115 -5.670 -6.438 6.787 1.00 63.32 H new ATOM 0 HA LEU A 115 -7.192 -3.983 7.285 1.00 41.31 H new ATOM 0 HB2 LEU A 115 -6.708 -5.530 4.706 1.00 14.34 H new ATOM 0 HB3 LEU A 115 -7.419 -3.934 4.840 1.00 14.34 H new ATOM 0 HG LEU A 115 -4.544 -4.690 5.297 1.00 31.02 H new ATOM 0 HD11 LEU A 115 -4.202 -3.197 3.358 1.00 74.22 H new ATOM 0 HD12 LEU A 115 -5.270 -4.562 2.955 1.00 74.22 H new ATOM 0 HD13 LEU A 115 -5.961 -2.948 3.246 1.00 74.22 H new ATOM 0 HD21 LEU A 115 -4.118 -2.336 5.682 1.00 31.32 H new ATOM 0 HD22 LEU A 115 -5.869 -2.015 5.670 1.00 31.32 H new ATOM 0 HD23 LEU A 115 -5.162 -3.043 6.938 1.00 31.32 H new ATOM 1957 N ARG A 116 -8.436 -6.836 7.248 1.00 33.51 N ATOM 1958 CA ARG A 116 -9.572 -7.734 7.164 1.00 1.40 C ATOM 1959 C ARG A 116 -10.851 -7.072 7.638 1.00 43.44 C ATOM 1960 O ARG A 116 -10.934 -6.583 8.779 1.00 11.51 O ATOM 1961 CB ARG A 116 -9.291 -9.025 7.922 1.00 51.23 C ATOM 1962 CG ARG A 116 -10.361 -10.090 7.766 1.00 74.54 C ATOM 1963 CD ARG A 116 -9.965 -11.352 8.491 1.00 1.32 C ATOM 1964 NE ARG A 116 -9.781 -11.126 9.925 1.00 70.23 N ATOM 1965 CZ ARG A 116 -8.866 -11.740 10.677 1.00 35.13 C ATOM 1966 NH1 ARG A 116 -7.948 -12.527 10.113 1.00 2.20 N ATOM 1967 NH2 ARG A 116 -8.842 -11.535 11.988 1.00 30.43 N ATOM 0 H ARG A 116 -7.664 -7.195 7.810 1.00 33.51 H new ATOM 0 HA ARG A 116 -9.722 -7.986 6.114 1.00 1.40 H new ATOM 0 HB2 ARG A 116 -8.339 -9.432 7.582 1.00 51.23 H new ATOM 0 HB3 ARG A 116 -9.178 -8.793 8.981 1.00 51.23 H new ATOM 0 HG2 ARG A 116 -11.309 -9.721 8.158 1.00 74.54 H new ATOM 0 HG3 ARG A 116 -10.516 -10.305 6.709 1.00 74.54 H new ATOM 0 HD2 ARG A 116 -10.731 -12.113 8.339 1.00 1.32 H new ATOM 0 HD3 ARG A 116 -9.041 -11.741 8.064 1.00 1.32 H new ATOM 0 HE ARG A 116 -10.395 -10.452 10.382 1.00 70.23 H new ATOM 0 HH11 ARG A 116 -7.943 -12.662 9.102 1.00 2.20 H new ATOM 0 HH12 ARG A 116 -7.251 -12.994 10.693 1.00 2.20 H new ATOM 0 HH21 ARG A 116 -9.522 -10.909 12.419 1.00 30.43 H new ATOM 0 HH22 ARG A 116 -8.143 -12.004 12.565 1.00 30.43 H new