USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 49 CYS SG : rot -112:sc= 0.153 USER MOD Set 1.2: A 53 HIS :FLIP no HD1:sc= 0.308 F(o=-0.18,f=0.46) USER MOD Set 2.1: A 31 THR OG1 : rot -104:sc= -2.35! USER MOD Set 2.2: A 33 SER OG : rot 107:sc= 0.623 USER MOD Set 2.3: A 73 HIS :FLIP no HE2:sc= 0.544 F(o=-3.3,f=-1.2) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.25 K(o=-1.2,f=-1.9) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0703 USER MOD Single : A 27 SER OG : rot 124:sc= -1.06 USER MOD Single : A 29 HIS : no HD1:sc= -0.119 K(o=-0.12,f=-0.83) USER MOD Single : A 35 SER OG : rot 100:sc= -0.795 USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= -0.261 (180deg=-1.06) USER MOD Single : A 44 ASN : amide:sc= -0.81 K(o=-0.81,f=-5.6!) USER MOD Single : A 45 LYS NZ :NH3+ -115:sc= -1.49! (180deg=-3.88!) USER MOD Single : A 47 GLN : amide:sc= -0.0637 X(o=-0.064,f=-0.064) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.73) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.151 (180deg=-0.508) USER MOD Single : A 69 ASN : amide:sc= -0.0685 K(o=-0.069,f=-12!) USER MOD Single : A 76 SER OG : rot 140:sc= -0.733 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -66:sc= 0.205 USER MOD Single : A 86 SER OG : rot -24:sc= 0.145 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 30:sc= -0.0581 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0724 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 3.929 -8.298 -4.011 1.00 0.00 N ATOM 63 CA GLU A 5 4.103 -7.523 -5.228 1.00 0.00 C ATOM 64 C GLU A 5 2.755 -7.169 -5.849 1.00 0.00 C ATOM 65 O GLU A 5 2.683 -6.460 -6.853 1.00 0.00 O ATOM 66 CB GLU A 5 4.952 -8.310 -6.214 1.00 0.00 C ATOM 67 CG GLU A 5 6.437 -8.110 -5.996 1.00 0.00 C ATOM 68 CD GLU A 5 7.253 -8.346 -7.252 1.00 0.00 C ATOM 69 OE1 GLU A 5 7.437 -7.387 -8.031 1.00 0.00 O ATOM 70 OE2 GLU A 5 7.709 -9.491 -7.457 1.00 0.00 O ATOM 0 HA GLU A 5 4.610 -6.590 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.715 -9.370 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.694 -8.010 -7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.614 -7.095 -5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.779 -8.787 -5.214 1.00 0.00 H new ATOM 77 N SER A 6 1.692 -7.663 -5.230 1.00 0.00 N ATOM 78 CA SER A 6 0.332 -7.406 -5.688 1.00 0.00 C ATOM 79 C SER A 6 -0.607 -7.316 -4.491 1.00 0.00 C ATOM 80 O SER A 6 -0.390 -7.977 -3.475 1.00 0.00 O ATOM 81 CB SER A 6 -0.133 -8.509 -6.641 1.00 0.00 C ATOM 82 OG SER A 6 0.020 -8.113 -7.993 1.00 0.00 O ATOM 0 H SER A 6 1.746 -8.252 -4.399 1.00 0.00 H new ATOM 0 HA SER A 6 0.318 -6.459 -6.227 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.440 -9.418 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.178 -8.747 -6.445 1.00 0.00 H new ATOM 0 HG SER A 6 -0.282 -8.836 -8.582 1.00 0.00 H new ATOM 88 N ILE A 7 -1.643 -6.492 -4.602 1.00 0.00 N ATOM 89 CA ILE A 7 -2.593 -6.329 -3.509 1.00 0.00 C ATOM 90 C ILE A 7 -4.026 -6.513 -3.993 1.00 0.00 C ATOM 91 O ILE A 7 -4.779 -5.547 -4.118 1.00 0.00 O ATOM 92 CB ILE A 7 -2.466 -4.947 -2.832 1.00 0.00 C ATOM 93 CG1 ILE A 7 -1.020 -4.444 -2.871 1.00 0.00 C ATOM 94 CG2 ILE A 7 -2.966 -5.016 -1.398 1.00 0.00 C ATOM 95 CD1 ILE A 7 -0.577 -3.968 -4.237 1.00 0.00 C ATOM 0 H ILE A 7 -1.845 -5.931 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.353 -7.100 -2.777 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.082 -4.239 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.910 -3.627 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.357 -5.245 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.871 -4.035 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.012 -5.321 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.373 -5.741 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.457 -3.627 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.654 -4.788 -4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.215 -3.145 -4.560 1.00 0.00 H new ATOM 107 N ARG A 8 -4.400 -7.758 -4.260 1.00 0.00 N ATOM 108 CA ARG A 8 -5.746 -8.062 -4.725 1.00 0.00 C ATOM 109 C ARG A 8 -6.662 -8.379 -3.549 1.00 0.00 C ATOM 110 O ARG A 8 -6.760 -9.527 -3.115 1.00 0.00 O ATOM 111 CB ARG A 8 -5.720 -9.237 -5.707 1.00 0.00 C ATOM 112 CG ARG A 8 -6.411 -8.938 -7.028 1.00 0.00 C ATOM 113 CD ARG A 8 -6.277 -10.098 -8.001 1.00 0.00 C ATOM 114 NE ARG A 8 -4.913 -10.235 -8.506 1.00 0.00 N ATOM 115 CZ ARG A 8 -4.597 -10.888 -9.622 1.00 0.00 C ATOM 116 NH1 ARG A 8 -5.543 -11.473 -10.347 1.00 0.00 N ATOM 117 NH2 ARG A 8 -3.333 -10.957 -10.016 1.00 0.00 N ATOM 0 H ARG A 8 -3.792 -8.571 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.136 -7.184 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.684 -9.514 -5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.199 -10.099 -5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.466 -8.731 -6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.981 -8.039 -7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.575 -11.022 -7.506 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.960 -9.950 -8.838 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.158 -9.805 -7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.517 -11.423 -10.050 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.295 -11.972 -11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.602 -10.509 -9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.092 -11.458 -10.871 1.00 0.00 H new ATOM 131 N PHE A 9 -7.333 -7.353 -3.037 1.00 0.00 N ATOM 132 CA PHE A 9 -8.245 -7.522 -1.910 1.00 0.00 C ATOM 133 C PHE A 9 -9.693 -7.550 -2.388 1.00 0.00 C ATOM 134 O PHE A 9 -10.459 -6.618 -2.142 1.00 0.00 O ATOM 135 CB PHE A 9 -8.055 -6.401 -0.879 1.00 0.00 C ATOM 136 CG PHE A 9 -7.581 -5.096 -1.462 1.00 0.00 C ATOM 137 CD1 PHE A 9 -8.303 -4.461 -2.461 1.00 0.00 C ATOM 138 CD2 PHE A 9 -6.412 -4.506 -1.008 1.00 0.00 C ATOM 139 CE1 PHE A 9 -7.868 -3.262 -2.994 1.00 0.00 C ATOM 140 CE2 PHE A 9 -5.973 -3.307 -1.538 1.00 0.00 C ATOM 141 CZ PHE A 9 -6.701 -2.685 -2.532 1.00 0.00 C ATOM 0 H PHE A 9 -7.263 -6.396 -3.384 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.014 -8.475 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.001 -6.233 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.338 -6.732 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.215 -4.908 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.837 -4.988 -0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.440 -2.777 -3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.061 -2.857 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.359 -1.749 -2.948 1.00 0.00 H new ATOM 151 N GLY A 10 -10.060 -8.624 -3.078 1.00 0.00 N ATOM 152 CA GLY A 10 -11.413 -8.752 -3.587 1.00 0.00 C ATOM 153 C GLY A 10 -11.527 -8.281 -5.024 1.00 0.00 C ATOM 154 O GLY A 10 -10.610 -8.489 -5.819 1.00 0.00 O ATOM 0 H GLY A 10 -9.445 -9.408 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.728 -9.793 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.092 -8.173 -2.961 1.00 0.00 H new ATOM 158 N PRO A 11 -12.644 -7.633 -5.394 1.00 0.00 N ATOM 159 CA PRO A 11 -12.847 -7.131 -6.757 1.00 0.00 C ATOM 160 C PRO A 11 -11.937 -5.948 -7.085 1.00 0.00 C ATOM 161 O PRO A 11 -11.888 -5.493 -8.228 1.00 0.00 O ATOM 162 CB PRO A 11 -14.313 -6.693 -6.761 1.00 0.00 C ATOM 163 CG PRO A 11 -14.618 -6.381 -5.337 1.00 0.00 C ATOM 164 CD PRO A 11 -13.792 -7.333 -4.517 1.00 0.00 C ATOM 0 HA PRO A 11 -12.611 -7.887 -7.506 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.464 -5.822 -7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.961 -7.483 -7.141 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.368 -5.346 -5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.680 -6.508 -5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.473 -6.881 -3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.351 -8.234 -4.264 1.00 0.00 H new ATOM 172 N ASN A 12 -11.223 -5.448 -6.078 1.00 0.00 N ATOM 173 CA ASN A 12 -10.323 -4.315 -6.267 1.00 0.00 C ATOM 174 C ASN A 12 -8.868 -4.769 -6.330 1.00 0.00 C ATOM 175 O ASN A 12 -8.284 -5.156 -5.318 1.00 0.00 O ATOM 176 CB ASN A 12 -10.501 -3.307 -5.131 1.00 0.00 C ATOM 177 CG ASN A 12 -11.869 -2.652 -5.147 1.00 0.00 C ATOM 178 OD1 ASN A 12 -12.890 -3.318 -4.977 1.00 0.00 O ATOM 179 ND2 ASN A 12 -11.895 -1.340 -5.352 1.00 0.00 N ATOM 0 H ASN A 12 -11.251 -5.810 -5.125 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.575 -3.841 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.354 -3.811 -4.176 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.732 -2.538 -5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -12.786 -0.845 -5.373 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.024 -0.828 -5.488 1.00 0.00 H new ATOM 186 N VAL A 13 -8.285 -4.709 -7.523 1.00 0.00 N ATOM 187 CA VAL A 13 -6.895 -5.103 -7.717 1.00 0.00 C ATOM 188 C VAL A 13 -5.977 -3.888 -7.645 1.00 0.00 C ATOM 189 O VAL A 13 -6.174 -2.910 -8.364 1.00 0.00 O ATOM 190 CB VAL A 13 -6.692 -5.807 -9.072 1.00 0.00 C ATOM 191 CG1 VAL A 13 -5.281 -6.370 -9.181 1.00 0.00 C ATOM 192 CG2 VAL A 13 -7.732 -6.901 -9.264 1.00 0.00 C ATOM 0 H VAL A 13 -8.755 -4.391 -8.371 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.644 -5.800 -6.918 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.821 -5.072 -9.866 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.159 -6.863 -10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.558 -5.559 -9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.114 -7.092 -8.381 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.574 -7.388 -10.226 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.638 -7.637 -8.465 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.730 -6.463 -9.238 1.00 0.00 H new ATOM 202 N PHE A 14 -4.980 -3.951 -6.768 1.00 0.00 N ATOM 203 CA PHE A 14 -4.042 -2.848 -6.601 1.00 0.00 C ATOM 204 C PHE A 14 -2.629 -3.272 -6.985 1.00 0.00 C ATOM 205 O PHE A 14 -2.249 -4.430 -6.808 1.00 0.00 O ATOM 206 CB PHE A 14 -4.070 -2.356 -5.153 1.00 0.00 C ATOM 207 CG PHE A 14 -3.371 -1.045 -4.940 1.00 0.00 C ATOM 208 CD1 PHE A 14 -1.992 -0.951 -5.044 1.00 0.00 C ATOM 209 CD2 PHE A 14 -4.094 0.093 -4.628 1.00 0.00 C ATOM 210 CE1 PHE A 14 -1.350 0.255 -4.842 1.00 0.00 C ATOM 211 CE2 PHE A 14 -3.458 1.301 -4.425 1.00 0.00 C ATOM 212 CZ PHE A 14 -2.084 1.383 -4.532 1.00 0.00 C ATOM 0 H PHE A 14 -4.802 -4.753 -6.163 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.344 -2.036 -7.262 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.107 -2.259 -4.833 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.609 -3.110 -4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.413 -1.830 -5.286 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.169 0.035 -4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.275 0.316 -4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.035 2.181 -4.183 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.584 2.327 -4.374 1.00 0.00 H new ATOM 222 N TYR A 15 -1.855 -2.330 -7.513 1.00 0.00 N ATOM 223 CA TYR A 15 -0.484 -2.607 -7.925 1.00 0.00 C ATOM 224 C TYR A 15 0.508 -1.768 -7.128 1.00 0.00 C ATOM 225 O TYR A 15 0.389 -0.544 -7.062 1.00 0.00 O ATOM 226 CB TYR A 15 -0.315 -2.325 -9.418 1.00 0.00 C ATOM 227 CG TYR A 15 -0.705 -3.484 -10.304 1.00 0.00 C ATOM 228 CD1 TYR A 15 -2.030 -3.883 -10.414 1.00 0.00 C ATOM 229 CD2 TYR A 15 0.252 -4.179 -11.034 1.00 0.00 C ATOM 230 CE1 TYR A 15 -2.392 -4.941 -11.224 1.00 0.00 C ATOM 231 CE2 TYR A 15 -0.102 -5.238 -11.847 1.00 0.00 C ATOM 232 CZ TYR A 15 -1.425 -5.615 -11.938 1.00 0.00 C ATOM 233 OH TYR A 15 -1.781 -6.671 -12.746 1.00 0.00 O ATOM 0 H TYR A 15 -2.154 -1.367 -7.666 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.280 -3.660 -7.730 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.917 -1.457 -9.685 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.725 -2.064 -9.614 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.791 -3.357 -9.856 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.289 -3.886 -10.964 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.428 -5.239 -11.298 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.653 -5.768 -12.408 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.981 -7.035 -13.179 1.00 0.00 H new ATOM 243 N VAL A 16 1.490 -2.432 -6.531 1.00 0.00 N ATOM 244 CA VAL A 16 2.509 -1.744 -5.745 1.00 0.00 C ATOM 245 C VAL A 16 3.434 -0.923 -6.639 1.00 0.00 C ATOM 246 O VAL A 16 4.113 -0.009 -6.172 1.00 0.00 O ATOM 247 CB VAL A 16 3.357 -2.733 -4.920 1.00 0.00 C ATOM 248 CG1 VAL A 16 2.626 -3.132 -3.648 1.00 0.00 C ATOM 249 CG2 VAL A 16 3.709 -3.962 -5.743 1.00 0.00 C ATOM 0 H VAL A 16 1.603 -3.445 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 16 1.979 -1.079 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 16 4.285 -2.234 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.240 -3.830 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.433 -2.244 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.680 -3.608 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.307 -4.645 -5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.794 -4.463 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.279 -3.660 -6.622 1.00 0.00 H new ATOM 259 N LEU A 17 3.459 -1.252 -7.928 1.00 0.00 N ATOM 260 CA LEU A 17 4.304 -0.539 -8.878 1.00 0.00 C ATOM 261 C LEU A 17 3.480 0.418 -9.735 1.00 0.00 C ATOM 262 O LEU A 17 3.759 1.616 -9.787 1.00 0.00 O ATOM 263 CB LEU A 17 5.049 -1.532 -9.775 1.00 0.00 C ATOM 264 CG LEU A 17 6.398 -2.015 -9.237 1.00 0.00 C ATOM 265 CD1 LEU A 17 7.396 -0.868 -9.177 1.00 0.00 C ATOM 266 CD2 LEU A 17 6.231 -2.652 -7.866 1.00 0.00 C ATOM 0 H LEU A 17 2.905 -2.005 -8.336 1.00 0.00 H new ATOM 0 HA LEU A 17 5.029 0.045 -8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.410 -2.400 -9.938 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.210 -1.068 -10.748 1.00 0.00 H new ATOM 0 HG LEU A 17 6.787 -2.770 -9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.348 -1.234 -8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.542 -0.460 -10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.014 -0.087 -8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.201 -2.989 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.816 -1.920 -7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.556 -3.504 -7.941 1.00 0.00 H new ATOM 278 N LYS A 18 2.465 -0.118 -10.407 1.00 0.00 N ATOM 279 CA LYS A 18 1.603 0.690 -11.265 1.00 0.00 C ATOM 280 C LYS A 18 0.845 1.732 -10.451 1.00 0.00 C ATOM 281 O LYS A 18 0.676 2.870 -10.888 1.00 0.00 O ATOM 282 CB LYS A 18 0.613 -0.199 -12.018 1.00 0.00 C ATOM 283 CG LYS A 18 1.266 -1.097 -13.055 1.00 0.00 C ATOM 284 CD LYS A 18 0.244 -1.642 -14.041 1.00 0.00 C ATOM 285 CE LYS A 18 0.709 -1.473 -15.478 1.00 0.00 C ATOM 286 NZ LYS A 18 0.430 -0.105 -15.993 1.00 0.00 N ATOM 0 H LYS A 18 2.219 -1.107 -10.374 1.00 0.00 H new ATOM 0 HA LYS A 18 2.238 1.206 -11.985 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.076 -0.819 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.127 0.432 -12.511 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.030 -0.537 -13.594 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.770 -1.925 -12.556 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.067 -2.698 -13.837 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.707 -1.127 -13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.779 -1.673 -15.540 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.210 -2.208 -16.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.762 -0.030 -16.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.593 0.077 -15.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.926 0.595 -15.405 1.00 0.00 H new ATOM 300 N LEU A 19 0.390 1.338 -9.266 1.00 0.00 N ATOM 301 CA LEU A 19 -0.349 2.241 -8.391 1.00 0.00 C ATOM 302 C LEU A 19 -1.728 2.552 -8.966 1.00 0.00 C ATOM 303 O LEU A 19 -2.149 3.708 -9.006 1.00 0.00 O ATOM 304 CB LEU A 19 0.435 3.540 -8.184 1.00 0.00 C ATOM 305 CG LEU A 19 1.954 3.368 -8.063 1.00 0.00 C ATOM 306 CD1 LEU A 19 2.674 4.200 -9.114 1.00 0.00 C ATOM 307 CD2 LEU A 19 2.427 3.747 -6.668 1.00 0.00 C ATOM 0 H LEU A 19 0.520 0.399 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.481 1.746 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.226 4.210 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.067 4.029 -7.282 1.00 0.00 H new ATOM 0 HG LEU A 19 2.193 2.318 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.751 4.064 -9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.361 3.880 -10.108 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.427 5.253 -8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.507 3.618 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.173 4.788 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.940 3.107 -5.932 1.00 0.00 H new ATOM 319 N THR A 20 -2.430 1.513 -9.410 1.00 0.00 N ATOM 320 CA THR A 20 -3.762 1.682 -9.980 1.00 0.00 C ATOM 321 C THR A 20 -4.723 0.627 -9.439 1.00 0.00 C ATOM 322 O THR A 20 -4.509 -0.572 -9.620 1.00 0.00 O ATOM 323 CB THR A 20 -3.700 1.601 -11.507 1.00 0.00 C ATOM 324 OG1 THR A 20 -2.764 2.532 -12.020 1.00 0.00 O ATOM 325 CG2 THR A 20 -5.031 1.875 -12.175 1.00 0.00 C ATOM 0 H THR A 20 -2.099 0.548 -9.386 1.00 0.00 H new ATOM 0 HA THR A 20 -4.133 2.666 -9.691 1.00 0.00 H new ATOM 0 HB THR A 20 -3.403 0.576 -11.731 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.737 2.464 -12.997 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.917 1.802 -13.257 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.765 1.144 -11.837 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.370 2.877 -11.913 1.00 0.00 H new ATOM 333 N VAL A 21 -5.782 1.081 -8.774 1.00 0.00 N ATOM 334 CA VAL A 21 -6.774 0.172 -8.208 1.00 0.00 C ATOM 335 C VAL A 21 -7.873 -0.137 -9.217 1.00 0.00 C ATOM 336 O VAL A 21 -8.781 0.668 -9.427 1.00 0.00 O ATOM 337 CB VAL A 21 -7.422 0.748 -6.932 1.00 0.00 C ATOM 338 CG1 VAL A 21 -8.036 -0.366 -6.097 1.00 0.00 C ATOM 339 CG2 VAL A 21 -6.410 1.539 -6.116 1.00 0.00 C ATOM 0 H VAL A 21 -5.975 2.070 -8.614 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.241 -0.743 -7.951 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.217 1.431 -7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.489 0.058 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.800 -0.880 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.260 -1.076 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.893 1.934 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.587 0.886 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.025 2.364 -6.715 1.00 0.00 H new ATOM 349 N GLU A 22 -7.788 -1.309 -9.837 1.00 0.00 N ATOM 350 CA GLU A 22 -8.780 -1.724 -10.822 1.00 0.00 C ATOM 351 C GLU A 22 -10.111 -2.041 -10.150 1.00 0.00 C ATOM 352 O GLU A 22 -10.162 -2.787 -9.171 1.00 0.00 O ATOM 353 CB GLU A 22 -8.282 -2.948 -11.592 1.00 0.00 C ATOM 354 CG GLU A 22 -7.002 -2.697 -12.370 1.00 0.00 C ATOM 355 CD GLU A 22 -6.332 -3.982 -12.817 1.00 0.00 C ATOM 356 OE1 GLU A 22 -6.430 -4.988 -12.083 1.00 0.00 O ATOM 357 OE2 GLU A 22 -5.710 -3.982 -13.900 1.00 0.00 O ATOM 0 H GLU A 22 -7.044 -1.987 -9.675 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.931 -0.900 -11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.117 -3.766 -10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.060 -3.273 -12.283 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.226 -2.085 -13.244 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.310 -2.127 -11.750 1.00 0.00 H new ATOM 364 N THR A 23 -11.186 -1.469 -10.680 1.00 0.00 N ATOM 365 CA THR A 23 -12.517 -1.690 -10.132 1.00 0.00 C ATOM 366 C THR A 23 -13.472 -2.196 -11.210 1.00 0.00 C ATOM 367 O THR A 23 -13.298 -1.903 -12.393 1.00 0.00 O ATOM 368 CB THR A 23 -13.058 -0.399 -9.517 1.00 0.00 C ATOM 369 OG1 THR A 23 -13.132 0.627 -10.491 1.00 0.00 O ATOM 370 CG2 THR A 23 -12.215 0.116 -8.372 1.00 0.00 C ATOM 0 H THR A 23 -11.161 -0.848 -11.489 1.00 0.00 H new ATOM 0 HA THR A 23 -12.442 -2.450 -9.354 1.00 0.00 H new ATOM 0 HB THR A 23 -14.047 -0.653 -9.134 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.482 1.445 -10.079 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.654 1.034 -7.981 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.178 -0.634 -7.582 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.205 0.320 -8.727 1.00 0.00 H new ATOM 378 N PRO A 24 -14.499 -2.965 -10.811 1.00 0.00 N ATOM 379 CA PRO A 24 -15.486 -3.514 -11.742 1.00 0.00 C ATOM 380 C PRO A 24 -15.977 -2.477 -12.746 1.00 0.00 C ATOM 381 O PRO A 24 -16.086 -2.755 -13.940 1.00 0.00 O ATOM 382 CB PRO A 24 -16.622 -3.946 -10.818 1.00 0.00 C ATOM 383 CG PRO A 24 -15.956 -4.283 -9.532 1.00 0.00 C ATOM 384 CD PRO A 24 -14.777 -3.359 -9.417 1.00 0.00 C ATOM 0 HA PRO A 24 -15.077 -4.320 -12.351 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.352 -3.147 -10.688 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -17.157 -4.805 -11.223 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.639 -4.149 -8.693 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.637 -5.325 -9.520 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.007 -2.494 -8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.920 -3.858 -8.964 1.00 0.00 H new ATOM 392 N GLU A 25 -16.269 -1.278 -12.252 1.00 0.00 N ATOM 393 CA GLU A 25 -16.745 -0.196 -13.105 1.00 0.00 C ATOM 394 C GLU A 25 -15.626 0.312 -14.008 1.00 0.00 C ATOM 395 O GLU A 25 -15.784 0.385 -15.227 1.00 0.00 O ATOM 396 CB GLU A 25 -17.288 0.953 -12.251 1.00 0.00 C ATOM 397 CG GLU A 25 -18.807 1.016 -12.213 1.00 0.00 C ATOM 398 CD GLU A 25 -19.360 0.964 -10.802 1.00 0.00 C ATOM 399 OE1 GLU A 25 -19.208 -0.085 -10.142 1.00 0.00 O ATOM 400 OE2 GLU A 25 -19.945 1.974 -10.356 1.00 0.00 O ATOM 0 H GLU A 25 -16.184 -1.032 -11.266 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.548 -0.584 -13.732 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.911 0.848 -11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.903 1.896 -12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.141 1.934 -12.696 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.215 0.186 -12.790 1.00 0.00 H new ATOM 407 N GLY A 26 -14.497 0.663 -13.402 1.00 0.00 N ATOM 408 CA GLY A 26 -13.369 1.160 -14.167 1.00 0.00 C ATOM 409 C GLY A 26 -12.054 1.027 -13.424 1.00 0.00 C ATOM 410 O GLY A 26 -11.580 -0.082 -13.179 1.00 0.00 O ATOM 0 H GLY A 26 -14.343 0.612 -12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.306 0.615 -15.109 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.537 2.208 -14.415 1.00 0.00 H new ATOM 414 N SER A 27 -11.464 2.163 -13.066 1.00 0.00 N ATOM 415 CA SER A 27 -10.195 2.174 -12.347 1.00 0.00 C ATOM 416 C SER A 27 -10.130 3.349 -11.377 1.00 0.00 C ATOM 417 O SER A 27 -10.923 4.286 -11.469 1.00 0.00 O ATOM 418 CB SER A 27 -9.029 2.249 -13.335 1.00 0.00 C ATOM 419 OG SER A 27 -7.810 1.880 -12.715 1.00 0.00 O ATOM 0 H SER A 27 -11.845 3.089 -13.262 1.00 0.00 H new ATOM 0 HA SER A 27 -10.121 1.249 -11.775 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.223 1.591 -14.182 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.948 3.262 -13.730 1.00 0.00 H new ATOM 0 HG SER A 27 -7.400 1.143 -13.213 1.00 0.00 H new ATOM 425 N VAL A 28 -9.181 3.293 -10.447 1.00 0.00 N ATOM 426 CA VAL A 28 -9.015 4.354 -9.460 1.00 0.00 C ATOM 427 C VAL A 28 -7.584 4.882 -9.455 1.00 0.00 C ATOM 428 O VAL A 28 -6.708 4.319 -8.799 1.00 0.00 O ATOM 429 CB VAL A 28 -9.370 3.872 -8.040 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.563 5.058 -7.107 1.00 0.00 C ATOM 431 CG2 VAL A 28 -10.613 2.994 -8.061 1.00 0.00 C ATOM 0 H VAL A 28 -8.516 2.525 -10.357 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.699 5.153 -9.746 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.540 3.272 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.813 4.699 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.642 5.640 -7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.372 5.686 -7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.844 2.666 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.454 3.563 -8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.433 2.124 -8.692 1.00 0.00 H new ATOM 441 N HIS A 29 -7.355 5.968 -10.184 1.00 0.00 N ATOM 442 CA HIS A 29 -6.030 6.573 -10.256 1.00 0.00 C ATOM 443 C HIS A 29 -5.736 7.363 -8.985 1.00 0.00 C ATOM 444 O HIS A 29 -6.566 8.149 -8.528 1.00 0.00 O ATOM 445 CB HIS A 29 -5.930 7.485 -11.480 1.00 0.00 C ATOM 446 CG HIS A 29 -6.147 6.766 -12.776 1.00 0.00 C ATOM 447 ND1 HIS A 29 -7.368 6.253 -13.158 1.00 0.00 N ATOM 448 CD2 HIS A 29 -5.288 6.473 -13.781 1.00 0.00 C ATOM 449 CE1 HIS A 29 -7.251 5.675 -14.340 1.00 0.00 C ATOM 450 NE2 HIS A 29 -5.999 5.795 -14.741 1.00 0.00 N ATOM 0 H HIS A 29 -8.069 6.447 -10.733 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.290 5.778 -10.350 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.665 8.285 -11.389 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.947 7.956 -11.494 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.239 6.726 -13.820 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.045 5.187 -14.886 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.621 5.442 -15.620 1.00 0.00 H new ATOM 459 N LEU A 30 -4.558 7.142 -8.408 1.00 0.00 N ATOM 460 CA LEU A 30 -4.175 7.830 -7.181 1.00 0.00 C ATOM 461 C LEU A 30 -2.737 8.330 -7.251 1.00 0.00 C ATOM 462 O LEU A 30 -1.960 7.903 -8.104 1.00 0.00 O ATOM 463 CB LEU A 30 -4.339 6.887 -5.987 1.00 0.00 C ATOM 464 CG LEU A 30 -3.845 5.458 -6.224 1.00 0.00 C ATOM 465 CD1 LEU A 30 -2.382 5.460 -6.636 1.00 0.00 C ATOM 466 CD2 LEU A 30 -4.043 4.607 -4.981 1.00 0.00 C ATOM 0 H LEU A 30 -3.856 6.495 -8.769 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.828 8.695 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.802 7.305 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.393 6.851 -5.713 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.433 5.025 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.049 4.435 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.264 6.032 -7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.783 5.915 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.685 3.595 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.484 5.039 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.102 4.575 -4.727 1.00 0.00 H new ATOM 478 N THR A 31 -2.388 9.230 -6.336 1.00 0.00 N ATOM 479 CA THR A 31 -1.044 9.783 -6.275 1.00 0.00 C ATOM 480 C THR A 31 -0.054 8.722 -5.799 1.00 0.00 C ATOM 481 O THR A 31 -0.107 8.287 -4.649 1.00 0.00 O ATOM 482 CB THR A 31 -1.011 10.988 -5.334 1.00 0.00 C ATOM 483 OG1 THR A 31 -1.128 10.573 -3.985 1.00 0.00 O ATOM 484 CG2 THR A 31 -2.115 11.987 -5.604 1.00 0.00 C ATOM 0 H THR A 31 -3.023 9.592 -5.624 1.00 0.00 H new ATOM 0 HA THR A 31 -0.757 10.107 -7.275 1.00 0.00 H new ATOM 0 HB THR A 31 -0.052 11.472 -5.517 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.033 10.764 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.034 12.817 -4.902 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.024 12.363 -6.623 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.083 11.501 -5.482 1.00 0.00 H new ATOM 492 N PRO A 32 0.857 8.281 -6.682 1.00 0.00 N ATOM 493 CA PRO A 32 1.851 7.256 -6.345 1.00 0.00 C ATOM 494 C PRO A 32 2.625 7.567 -5.071 1.00 0.00 C ATOM 495 O PRO A 32 3.215 6.674 -4.465 1.00 0.00 O ATOM 496 CB PRO A 32 2.789 7.252 -7.553 1.00 0.00 C ATOM 497 CG PRO A 32 1.967 7.772 -8.681 1.00 0.00 C ATOM 498 CD PRO A 32 0.983 8.737 -8.078 1.00 0.00 C ATOM 0 HA PRO A 32 1.377 6.294 -6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.661 7.881 -7.377 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.158 6.248 -7.763 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.594 8.268 -9.422 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.451 6.960 -9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.344 9.764 -8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.025 8.708 -8.597 1.00 0.00 H new ATOM 506 N SER A 33 2.624 8.828 -4.667 1.00 0.00 N ATOM 507 CA SER A 33 3.331 9.236 -3.458 1.00 0.00 C ATOM 508 C SER A 33 2.538 8.857 -2.223 1.00 0.00 C ATOM 509 O SER A 33 3.099 8.429 -1.214 1.00 0.00 O ATOM 510 CB SER A 33 3.599 10.740 -3.475 1.00 0.00 C ATOM 511 OG SER A 33 2.388 11.473 -3.425 1.00 0.00 O ATOM 0 H SER A 33 2.145 9.585 -5.154 1.00 0.00 H new ATOM 0 HA SER A 33 4.287 8.714 -3.429 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.227 11.010 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.151 11.004 -4.377 1.00 0.00 H new ATOM 0 HG SER A 33 2.286 11.875 -2.537 1.00 0.00 H new ATOM 517 N GLU A 34 1.229 8.997 -2.319 1.00 0.00 N ATOM 518 CA GLU A 34 0.348 8.648 -1.218 1.00 0.00 C ATOM 519 C GLU A 34 0.042 7.167 -1.273 1.00 0.00 C ATOM 520 O GLU A 34 0.001 6.484 -0.253 1.00 0.00 O ATOM 521 CB GLU A 34 -0.940 9.474 -1.272 1.00 0.00 C ATOM 522 CG GLU A 34 -0.694 10.974 -1.258 1.00 0.00 C ATOM 523 CD GLU A 34 -1.927 11.776 -1.628 1.00 0.00 C ATOM 524 OE1 GLU A 34 -2.900 11.175 -2.131 1.00 0.00 O ATOM 525 OE2 GLU A 34 -1.920 13.006 -1.412 1.00 0.00 O ATOM 0 H GLU A 34 0.751 9.350 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 34 0.845 8.874 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.494 9.212 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.570 9.208 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.356 11.273 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.111 11.212 -1.954 1.00 0.00 H new ATOM 532 N SER A 35 -0.121 6.667 -2.480 1.00 0.00 N ATOM 533 CA SER A 35 -0.366 5.253 -2.675 1.00 0.00 C ATOM 534 C SER A 35 0.960 4.504 -2.610 1.00 0.00 C ATOM 535 O SER A 35 0.992 3.278 -2.504 1.00 0.00 O ATOM 536 CB SER A 35 -1.070 5.008 -4.010 1.00 0.00 C ATOM 537 OG SER A 35 -0.159 4.574 -5.004 1.00 0.00 O ATOM 0 H SER A 35 -0.088 7.217 -3.339 1.00 0.00 H new ATOM 0 HA SER A 35 -1.022 4.885 -1.886 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.851 4.259 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.559 5.925 -4.338 1.00 0.00 H new ATOM 0 HG SER A 35 -0.219 3.601 -5.100 1.00 0.00 H new ATOM 543 N GLY A 36 2.061 5.262 -2.655 1.00 0.00 N ATOM 544 CA GLY A 36 3.375 4.666 -2.581 1.00 0.00 C ATOM 545 C GLY A 36 3.744 4.308 -1.163 1.00 0.00 C ATOM 546 O GLY A 36 4.427 3.313 -0.922 1.00 0.00 O ATOM 0 H GLY A 36 2.057 6.278 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.404 3.771 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.113 5.359 -2.985 1.00 0.00 H new ATOM 550 N ILE A 37 3.276 5.114 -0.217 1.00 0.00 N ATOM 551 CA ILE A 37 3.554 4.859 1.189 1.00 0.00 C ATOM 552 C ILE A 37 2.863 3.582 1.637 1.00 0.00 C ATOM 553 O ILE A 37 3.373 2.846 2.481 1.00 0.00 O ATOM 554 CB ILE A 37 3.120 6.033 2.091 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.323 5.675 3.564 1.00 0.00 C ATOM 556 CG2 ILE A 37 1.671 6.407 1.829 1.00 0.00 C ATOM 557 CD1 ILE A 37 3.200 6.858 4.496 1.00 0.00 C ATOM 0 H ILE A 37 2.708 5.942 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 37 4.634 4.748 1.290 1.00 0.00 H new ATOM 0 HB ILE A 37 3.742 6.896 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.591 4.920 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.309 5.226 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.387 7.237 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.554 6.703 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.031 5.550 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.356 6.529 5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.950 7.605 4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.205 7.294 4.401 1.00 0.00 H new ATOM 569 N LEU A 38 1.714 3.310 1.039 1.00 0.00 N ATOM 570 CA LEU A 38 0.967 2.101 1.347 1.00 0.00 C ATOM 571 C LEU A 38 1.716 0.890 0.801 1.00 0.00 C ATOM 572 O LEU A 38 1.491 -0.242 1.228 1.00 0.00 O ATOM 573 CB LEU A 38 -0.439 2.169 0.744 1.00 0.00 C ATOM 574 CG LEU A 38 -1.230 0.860 0.791 1.00 0.00 C ATOM 575 CD1 LEU A 38 -2.716 1.139 0.962 1.00 0.00 C ATOM 576 CD2 LEU A 38 -0.980 0.042 -0.468 1.00 0.00 C ATOM 0 H LEU A 38 1.279 3.910 0.338 1.00 0.00 H new ATOM 0 HA LEU A 38 0.870 2.009 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.006 2.937 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.357 2.489 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.890 0.282 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.262 0.196 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.879 1.684 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.073 1.737 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.550 -0.886 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.293 0.614 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.082 -0.189 -0.547 1.00 0.00 H new ATOM 588 N LYS A 39 2.614 1.149 -0.147 1.00 0.00 N ATOM 589 CA LYS A 39 3.409 0.100 -0.759 1.00 0.00 C ATOM 590 C LYS A 39 4.369 -0.504 0.249 1.00 0.00 C ATOM 591 O LYS A 39 4.518 -1.721 0.327 1.00 0.00 O ATOM 592 CB LYS A 39 4.185 0.654 -1.956 1.00 0.00 C ATOM 593 CG LYS A 39 4.513 -0.390 -3.011 1.00 0.00 C ATOM 594 CD LYS A 39 6.014 -0.574 -3.174 1.00 0.00 C ATOM 595 CE LYS A 39 6.623 0.522 -4.035 1.00 0.00 C ATOM 596 NZ LYS A 39 7.879 1.059 -3.443 1.00 0.00 N ATOM 0 H LYS A 39 2.806 2.084 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 39 2.734 -0.683 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.603 1.452 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.113 1.101 -1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.058 -1.341 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.077 -0.093 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.490 -0.573 -2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.215 -1.546 -3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.830 0.129 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.903 1.332 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.071 2.003 -3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.775 1.126 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.670 0.423 -3.671 1.00 0.00 H new ATOM 610 N ARG A 40 5.015 0.355 1.020 1.00 0.00 N ATOM 611 CA ARG A 40 5.967 -0.099 2.028 1.00 0.00 C ATOM 612 C ARG A 40 5.255 -0.763 3.204 1.00 0.00 C ATOM 613 O ARG A 40 5.873 -1.493 3.979 1.00 0.00 O ATOM 614 CB ARG A 40 6.830 1.067 2.513 1.00 0.00 C ATOM 615 CG ARG A 40 8.224 1.074 1.907 1.00 0.00 C ATOM 616 CD ARG A 40 8.681 2.482 1.557 1.00 0.00 C ATOM 617 NE ARG A 40 8.697 2.708 0.112 1.00 0.00 N ATOM 618 CZ ARG A 40 7.789 3.430 -0.543 1.00 0.00 C ATOM 619 NH1 ARG A 40 6.788 4.013 0.107 1.00 0.00 N ATOM 620 NH2 ARG A 40 7.884 3.573 -1.858 1.00 0.00 N ATOM 0 H ARG A 40 4.900 1.367 0.970 1.00 0.00 H new ATOM 0 HA ARG A 40 6.614 -0.844 1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.331 2.005 2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.913 1.022 3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.928 0.628 2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.233 0.455 1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.018 3.207 2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.679 2.651 1.962 1.00 0.00 H new ATOM 0 HE ARG A 40 9.452 2.286 -0.429 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.708 3.910 1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.099 4.563 -0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.651 3.131 -2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.190 4.125 -2.362 1.00 0.00 H new ATOM 634 N LEU A 41 3.955 -0.522 3.326 1.00 0.00 N ATOM 635 CA LEU A 41 3.170 -1.116 4.401 1.00 0.00 C ATOM 636 C LEU A 41 2.642 -2.481 3.981 1.00 0.00 C ATOM 637 O LEU A 41 2.339 -3.328 4.823 1.00 0.00 O ATOM 638 CB LEU A 41 2.009 -0.197 4.792 1.00 0.00 C ATOM 639 CG LEU A 41 2.264 0.689 6.012 1.00 0.00 C ATOM 640 CD1 LEU A 41 3.166 1.858 5.649 1.00 0.00 C ATOM 641 CD2 LEU A 41 0.949 1.191 6.591 1.00 0.00 C ATOM 0 H LEU A 41 3.424 0.079 2.696 1.00 0.00 H new ATOM 0 HA LEU A 41 3.818 -1.243 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.770 0.442 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.130 -0.811 4.986 1.00 0.00 H new ATOM 0 HG LEU A 41 2.769 0.090 6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.334 2.475 6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.121 1.481 5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.690 2.457 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.150 1.820 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.418 1.772 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.336 0.341 6.893 1.00 0.00 H new ATOM 653 N LEU A 42 2.542 -2.691 2.674 1.00 0.00 N ATOM 654 CA LEU A 42 2.062 -3.957 2.143 1.00 0.00 C ATOM 655 C LEU A 42 3.183 -4.990 2.121 1.00 0.00 C ATOM 656 O LEU A 42 2.928 -6.193 2.104 1.00 0.00 O ATOM 657 CB LEU A 42 1.483 -3.764 0.740 1.00 0.00 C ATOM 658 CG LEU A 42 0.059 -4.292 0.552 1.00 0.00 C ATOM 659 CD1 LEU A 42 0.038 -5.811 0.631 1.00 0.00 C ATOM 660 CD2 LEU A 42 -0.878 -3.687 1.589 1.00 0.00 C ATOM 0 H LEU A 42 2.787 -2.001 1.964 1.00 0.00 H new ATOM 0 HA LEU A 42 1.270 -4.325 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.495 -2.701 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.136 -4.260 0.022 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.290 -3.996 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.983 -6.168 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.674 -6.225 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.407 -6.130 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.886 -4.075 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.533 -3.951 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.887 -2.602 1.482 1.00 0.00 H new ATOM 672 N ILE A 43 4.426 -4.517 2.139 1.00 0.00 N ATOM 673 CA ILE A 43 5.569 -5.418 2.144 1.00 0.00 C ATOM 674 C ILE A 43 5.773 -6.000 3.539 1.00 0.00 C ATOM 675 O ILE A 43 6.314 -7.095 3.693 1.00 0.00 O ATOM 676 CB ILE A 43 6.860 -4.718 1.678 1.00 0.00 C ATOM 677 CG1 ILE A 43 6.628 -4.020 0.340 1.00 0.00 C ATOM 678 CG2 ILE A 43 7.994 -5.726 1.556 1.00 0.00 C ATOM 679 CD1 ILE A 43 7.800 -3.180 -0.116 1.00 0.00 C ATOM 0 H ILE A 43 4.664 -3.525 2.150 1.00 0.00 H new ATOM 0 HA ILE A 43 5.353 -6.220 1.438 1.00 0.00 H new ATOM 0 HB ILE A 43 7.138 -3.970 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.413 -4.771 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.746 -3.385 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.899 -5.217 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.172 -6.192 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.723 -6.492 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.564 -2.715 -1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.002 -2.406 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.680 -3.813 -0.228 1.00 0.00 H new ATOM 691 N ASN A 44 5.314 -5.266 4.554 1.00 0.00 N ATOM 692 CA ASN A 44 5.423 -5.716 5.935 1.00 0.00 C ATOM 693 C ASN A 44 4.112 -6.346 6.385 1.00 0.00 C ATOM 694 O ASN A 44 4.092 -7.407 7.008 1.00 0.00 O ATOM 695 CB ASN A 44 5.791 -4.546 6.849 1.00 0.00 C ATOM 696 CG ASN A 44 6.977 -3.758 6.330 1.00 0.00 C ATOM 697 OD1 ASN A 44 7.480 -4.020 5.238 1.00 0.00 O ATOM 698 ND2 ASN A 44 7.432 -2.786 7.113 1.00 0.00 N ATOM 0 H ASN A 44 4.864 -4.358 4.441 1.00 0.00 H new ATOM 0 HA ASN A 44 6.212 -6.465 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.932 -3.882 6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.018 -4.925 7.846 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.229 -2.223 6.816 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.984 -2.603 8.011 1.00 0.00 H new ATOM 705 N LYS A 45 3.021 -5.680 6.043 1.00 0.00 N ATOM 706 CA LYS A 45 1.683 -6.151 6.379 1.00 0.00 C ATOM 707 C LYS A 45 1.531 -6.395 7.875 1.00 0.00 C ATOM 708 O LYS A 45 1.824 -7.479 8.379 1.00 0.00 O ATOM 709 CB LYS A 45 1.361 -7.423 5.600 1.00 0.00 C ATOM 710 CG LYS A 45 0.829 -7.152 4.203 1.00 0.00 C ATOM 711 CD LYS A 45 0.700 -8.431 3.394 1.00 0.00 C ATOM 712 CE LYS A 45 2.055 -9.075 3.143 1.00 0.00 C ATOM 713 NZ LYS A 45 2.485 -9.940 4.278 1.00 0.00 N ATOM 0 H LYS A 45 3.035 -4.801 5.526 1.00 0.00 H new ATOM 0 HA LYS A 45 0.976 -5.370 6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.261 -8.034 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.625 -8.005 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.144 -6.665 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.496 -6.461 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.055 -9.133 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.219 -8.212 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.009 -9.671 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.800 -8.297 2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.336 -9.536 4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.722 -9.993 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.697 -10.895 3.925 1.00 0.00 H new ATOM 727 N GLY A 46 1.060 -5.370 8.572 1.00 0.00 N ATOM 728 CA GLY A 46 0.855 -5.462 10.006 1.00 0.00 C ATOM 729 C GLY A 46 2.151 -5.596 10.779 1.00 0.00 C ATOM 730 O GLY A 46 2.657 -6.701 10.973 1.00 0.00 O ATOM 0 H GLY A 46 0.814 -4.467 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.323 -4.575 10.350 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.218 -6.320 10.223 1.00 0.00 H new ATOM 734 N GLN A 47 2.686 -4.464 11.226 1.00 0.00 N ATOM 735 CA GLN A 47 3.928 -4.451 11.989 1.00 0.00 C ATOM 736 C GLN A 47 3.987 -3.226 12.895 1.00 0.00 C ATOM 737 O GLN A 47 3.493 -2.156 12.537 1.00 0.00 O ATOM 738 CB GLN A 47 5.133 -4.464 11.047 1.00 0.00 C ATOM 739 CG GLN A 47 6.442 -4.812 11.737 1.00 0.00 C ATOM 740 CD GLN A 47 6.512 -6.268 12.157 1.00 0.00 C ATOM 741 OE1 GLN A 47 6.329 -6.598 13.328 1.00 0.00 O ATOM 742 NE2 GLN A 47 6.778 -7.148 11.198 1.00 0.00 N ATOM 0 H GLN A 47 2.277 -3.542 11.072 1.00 0.00 H new ATOM 0 HA GLN A 47 3.957 -5.346 12.610 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.951 -5.183 10.248 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.228 -3.484 10.579 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.272 -4.591 11.066 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.565 -4.178 12.615 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.923 -6.830 10.240 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.837 -8.142 11.420 1.00 0.00 H new ATOM 751 N LEU A 48 4.588 -3.387 14.069 1.00 0.00 N ATOM 752 CA LEU A 48 4.702 -2.290 15.022 1.00 0.00 C ATOM 753 C LEU A 48 5.797 -1.312 14.607 1.00 0.00 C ATOM 754 O LEU A 48 6.922 -1.372 15.104 1.00 0.00 O ATOM 755 CB LEU A 48 4.979 -2.829 16.428 1.00 0.00 C ATOM 756 CG LEU A 48 4.090 -2.238 17.526 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.102 -3.277 18.031 1.00 0.00 C ATOM 758 CD2 LEU A 48 4.936 -1.702 18.672 1.00 0.00 C ATOM 0 H LEU A 48 5.003 -4.265 14.383 1.00 0.00 H new ATOM 0 HA LEU A 48 3.753 -1.754 15.031 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.851 -3.911 16.419 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.022 -2.633 16.679 1.00 0.00 H new ATOM 0 HG LEU A 48 3.527 -1.408 17.100 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.479 -2.838 18.811 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.471 -3.610 17.207 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.646 -4.129 18.438 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.285 -1.287 19.441 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.529 -2.512 19.097 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.601 -0.923 18.300 1.00 0.00 H new ATOM 770 N CYS A 49 5.454 -0.406 13.698 1.00 0.00 N ATOM 771 CA CYS A 49 6.398 0.595 13.217 1.00 0.00 C ATOM 772 C CYS A 49 6.070 1.963 13.805 1.00 0.00 C ATOM 773 O CYS A 49 5.028 2.142 14.430 1.00 0.00 O ATOM 774 CB CYS A 49 6.374 0.663 11.690 1.00 0.00 C ATOM 775 SG CYS A 49 7.528 -0.471 10.881 1.00 0.00 S ATOM 0 H CYS A 49 4.526 -0.345 13.279 1.00 0.00 H new ATOM 0 HA CYS A 49 7.398 0.305 13.539 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.364 0.445 11.343 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.605 1.682 11.379 1.00 0.00 H new ATOM 0 HG CYS A 49 8.474 0.210 10.306 1.00 0.00 H new ATOM 781 N LEU A 50 6.964 2.923 13.603 1.00 0.00 N ATOM 782 CA LEU A 50 6.761 4.275 14.118 1.00 0.00 C ATOM 783 C LEU A 50 6.660 5.277 12.973 1.00 0.00 C ATOM 784 O LEU A 50 6.745 4.905 11.802 1.00 0.00 O ATOM 785 CB LEU A 50 7.901 4.673 15.062 1.00 0.00 C ATOM 786 CG LEU A 50 8.616 3.512 15.762 1.00 0.00 C ATOM 787 CD1 LEU A 50 7.610 2.551 16.382 1.00 0.00 C ATOM 788 CD2 LEU A 50 9.525 2.783 14.783 1.00 0.00 C ATOM 0 H LEU A 50 7.835 2.793 13.088 1.00 0.00 H new ATOM 0 HA LEU A 50 5.825 4.285 14.677 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.638 5.241 14.494 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.501 5.342 15.824 1.00 0.00 H new ATOM 0 HG LEU A 50 9.230 3.920 16.565 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.141 1.735 16.873 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.003 3.082 17.115 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.965 2.146 15.602 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.026 1.961 15.295 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.930 2.389 13.959 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.271 3.476 14.393 1.00 0.00 H new ATOM 800 N ARG A 51 6.478 6.549 13.315 1.00 0.00 N ATOM 801 CA ARG A 51 6.365 7.598 12.308 1.00 0.00 C ATOM 802 C ARG A 51 7.709 7.869 11.650 1.00 0.00 C ATOM 803 O ARG A 51 7.791 8.078 10.441 1.00 0.00 O ATOM 804 CB ARG A 51 5.813 8.882 12.929 1.00 0.00 C ATOM 805 CG ARG A 51 6.660 9.426 14.069 1.00 0.00 C ATOM 806 CD ARG A 51 6.202 10.814 14.489 1.00 0.00 C ATOM 807 NE ARG A 51 6.002 10.911 15.932 1.00 0.00 N ATOM 808 CZ ARG A 51 4.954 10.395 16.571 1.00 0.00 C ATOM 809 NH1 ARG A 51 4.015 9.741 15.899 1.00 0.00 N ATOM 810 NH2 ARG A 51 4.846 10.534 17.885 1.00 0.00 N ATOM 0 H ARG A 51 6.406 6.877 14.278 1.00 0.00 H new ATOM 0 HA ARG A 51 5.671 7.253 11.541 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.732 9.644 12.154 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.804 8.692 13.296 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.603 8.749 14.921 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.705 9.464 13.762 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.942 11.550 14.175 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.272 11.059 13.977 1.00 0.00 H new ATOM 0 HE ARG A 51 6.706 11.403 16.483 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.094 9.632 14.888 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.214 9.348 16.394 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.565 11.036 18.406 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.044 10.139 18.375 1.00 0.00 H new ATOM 824 N LYS A 52 8.758 7.857 12.459 1.00 0.00 N ATOM 825 CA LYS A 52 10.117 8.096 11.971 1.00 0.00 C ATOM 826 C LYS A 52 10.581 6.976 11.054 1.00 0.00 C ATOM 827 O LYS A 52 11.600 7.097 10.374 1.00 0.00 O ATOM 828 CB LYS A 52 11.085 8.247 13.145 1.00 0.00 C ATOM 829 CG LYS A 52 10.996 7.112 14.155 1.00 0.00 C ATOM 830 CD LYS A 52 10.865 7.635 15.578 1.00 0.00 C ATOM 831 CE LYS A 52 11.840 6.943 16.519 1.00 0.00 C ATOM 832 NZ LYS A 52 11.212 6.608 17.828 1.00 0.00 N ATOM 0 H LYS A 52 8.698 7.684 13.462 1.00 0.00 H new ATOM 0 HA LYS A 52 10.106 9.022 11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.104 8.302 12.761 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.884 9.191 13.652 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.139 6.481 13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.885 6.485 14.078 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.047 8.710 15.590 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.845 7.481 15.931 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.210 6.031 16.051 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.703 7.588 16.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.911 6.138 18.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.882 7.480 18.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.404 5.971 17.673 1.00 0.00 H new ATOM 846 N HIS A 53 9.828 5.892 11.035 1.00 0.00 N ATOM 847 CA HIS A 53 10.150 4.755 10.200 1.00 0.00 C ATOM 848 C HIS A 53 9.510 4.905 8.833 1.00 0.00 C ATOM 849 O HIS A 53 10.138 4.663 7.802 1.00 0.00 O ATOM 850 CB HIS A 53 9.646 3.491 10.872 1.00 0.00 C ATOM 851 CG HIS A 53 10.326 2.240 10.405 1.00 0.00 C ATOM 852 ND1 HIS A 53 10.079 1.440 9.340 1.00 0.00 N flip ATOM 853 CD2 HIS A 53 11.398 1.676 11.064 1.00 0.00 C flip ATOM 854 CE1 HIS A 53 10.997 0.420 9.376 1.00 0.00 C flip ATOM 855 NE2 HIS A 53 11.782 0.585 10.425 1.00 0.00 N flip ATOM 0 H HIS A 53 8.983 5.777 11.594 1.00 0.00 H new ATOM 0 HA HIS A 53 11.231 4.698 10.069 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.782 3.586 11.949 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.575 3.399 10.693 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.853 2.065 11.963 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.066 -0.387 8.662 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.553 -0.025 10.696 1.00 0.00 H new ATOM 864 N LEU A 54 8.253 5.311 8.843 1.00 0.00 N ATOM 865 CA LEU A 54 7.501 5.506 7.613 1.00 0.00 C ATOM 866 C LEU A 54 8.069 6.666 6.813 1.00 0.00 C ATOM 867 O LEU A 54 7.952 6.703 5.590 1.00 0.00 O ATOM 868 CB LEU A 54 6.021 5.746 7.922 1.00 0.00 C ATOM 869 CG LEU A 54 5.090 4.592 7.549 1.00 0.00 C ATOM 870 CD1 LEU A 54 5.226 4.252 6.072 1.00 0.00 C ATOM 871 CD2 LEU A 54 5.380 3.372 8.413 1.00 0.00 C ATOM 0 H LEU A 54 7.728 5.513 9.694 1.00 0.00 H new ATOM 0 HA LEU A 54 7.589 4.600 7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.916 5.949 8.988 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.695 6.642 7.393 1.00 0.00 H new ATOM 0 HG LEU A 54 4.062 4.904 7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.556 3.429 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.965 5.124 5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.254 3.959 5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.708 2.560 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.412 3.057 8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.227 3.625 9.462 1.00 0.00 H new ATOM 883 N LEU A 55 8.703 7.601 7.502 1.00 0.00 N ATOM 884 CA LEU A 55 9.304 8.742 6.830 1.00 0.00 C ATOM 885 C LEU A 55 10.729 8.410 6.403 1.00 0.00 C ATOM 886 O LEU A 55 11.331 9.128 5.606 1.00 0.00 O ATOM 887 CB LEU A 55 9.288 9.978 7.732 1.00 0.00 C ATOM 888 CG LEU A 55 9.776 9.751 9.164 1.00 0.00 C ATOM 889 CD1 LEU A 55 11.268 10.016 9.274 1.00 0.00 C ATOM 890 CD2 LEU A 55 8.993 10.623 10.137 1.00 0.00 C ATOM 0 H LEU A 55 8.814 7.594 8.516 1.00 0.00 H new ATOM 0 HA LEU A 55 8.715 8.966 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.906 10.750 7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.270 10.366 7.770 1.00 0.00 H new ATOM 0 HG LEU A 55 9.602 8.707 9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.593 9.848 10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.807 9.342 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.476 11.048 8.992 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.352 10.450 11.151 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.132 11.673 9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.934 10.372 10.079 1.00 0.00 H new ATOM 902 N GLU A 56 11.261 7.310 6.931 1.00 0.00 N ATOM 903 CA GLU A 56 12.609 6.879 6.593 1.00 0.00 C ATOM 904 C GLU A 56 12.598 5.939 5.394 1.00 0.00 C ATOM 905 O GLU A 56 13.575 5.857 4.650 1.00 0.00 O ATOM 906 CB GLU A 56 13.270 6.198 7.793 1.00 0.00 C ATOM 907 CG GLU A 56 14.420 6.996 8.384 1.00 0.00 C ATOM 908 CD GLU A 56 15.763 6.607 7.796 1.00 0.00 C ATOM 909 OE1 GLU A 56 16.145 5.425 7.922 1.00 0.00 O ATOM 910 OE2 GLU A 56 16.432 7.484 7.209 1.00 0.00 O ATOM 0 H GLU A 56 10.777 6.704 7.593 1.00 0.00 H new ATOM 0 HA GLU A 56 13.188 7.763 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.519 6.031 8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.637 5.218 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.246 8.058 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.443 6.847 9.464 1.00 0.00 H new ATOM 917 N GLU A 57 11.489 5.232 5.211 1.00 0.00 N ATOM 918 CA GLU A 57 11.361 4.300 4.096 1.00 0.00 C ATOM 919 C GLU A 57 10.780 4.987 2.869 1.00 0.00 C ATOM 920 O GLU A 57 10.898 4.480 1.754 1.00 0.00 O ATOM 921 CB GLU A 57 10.504 3.097 4.497 1.00 0.00 C ATOM 922 CG GLU A 57 11.029 2.356 5.716 1.00 0.00 C ATOM 923 CD GLU A 57 10.305 1.046 5.961 1.00 0.00 C ATOM 924 OE1 GLU A 57 9.061 1.066 6.066 1.00 0.00 O ATOM 925 OE2 GLU A 57 10.983 0.000 6.047 1.00 0.00 O ATOM 0 H GLU A 57 10.670 5.285 5.816 1.00 0.00 H new ATOM 0 HA GLU A 57 12.359 3.944 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.488 3.436 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.449 2.405 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.093 2.160 5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.927 2.993 6.595 1.00 0.00 H new ATOM 932 N ILE A 58 10.183 6.155 3.067 1.00 0.00 N ATOM 933 CA ILE A 58 9.632 6.906 1.957 1.00 0.00 C ATOM 934 C ILE A 58 10.622 7.980 1.526 1.00 0.00 C ATOM 935 O ILE A 58 10.590 8.449 0.389 1.00 0.00 O ATOM 936 CB ILE A 58 8.270 7.543 2.296 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.323 6.494 2.881 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.655 8.165 1.051 1.00 0.00 C ATOM 939 CD1 ILE A 58 6.109 7.092 3.557 1.00 0.00 C ATOM 0 H ILE A 58 10.071 6.596 3.980 1.00 0.00 H new ATOM 0 HA ILE A 58 9.461 6.207 1.138 1.00 0.00 H new ATOM 0 HB ILE A 58 8.428 8.325 3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.994 5.827 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.868 5.885 3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.693 8.611 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.321 8.935 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.509 7.395 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.480 6.293 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.429 7.737 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.542 7.678 2.834 1.00 0.00 H new ATOM 951 N LYS A 59 11.532 8.339 2.434 1.00 0.00 N ATOM 952 CA LYS A 59 12.555 9.323 2.126 1.00 0.00 C ATOM 953 C LYS A 59 13.652 8.672 1.293 1.00 0.00 C ATOM 954 O LYS A 59 14.316 9.334 0.497 1.00 0.00 O ATOM 955 CB LYS A 59 13.142 9.930 3.404 1.00 0.00 C ATOM 956 CG LYS A 59 14.018 8.974 4.198 1.00 0.00 C ATOM 957 CD LYS A 59 14.533 9.626 5.471 1.00 0.00 C ATOM 958 CE LYS A 59 15.635 10.632 5.175 1.00 0.00 C ATOM 959 NZ LYS A 59 15.446 11.905 5.926 1.00 0.00 N ATOM 0 H LYS A 59 11.576 7.962 3.381 1.00 0.00 H new ATOM 0 HA LYS A 59 12.099 10.132 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.729 10.810 3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.325 10.271 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.449 8.079 4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.860 8.654 3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.711 10.125 5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.911 8.859 6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.601 10.198 5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.656 10.842 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.218 12.562 5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.536 12.333 5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.451 11.710 6.947 1.00 0.00 H new ATOM 973 N ASN A 60 13.823 7.356 1.464 1.00 0.00 N ATOM 974 CA ASN A 60 14.818 6.617 0.710 1.00 0.00 C ATOM 975 C ASN A 60 14.199 6.071 -0.573 1.00 0.00 C ATOM 976 O ASN A 60 14.516 4.964 -1.009 1.00 0.00 O ATOM 977 CB ASN A 60 15.391 5.474 1.550 1.00 0.00 C ATOM 978 CG ASN A 60 16.906 5.474 1.565 1.00 0.00 C ATOM 979 OD1 ASN A 60 17.548 5.918 0.612 1.00 0.00 O ATOM 980 ND2 ASN A 60 17.487 4.973 2.649 1.00 0.00 N ATOM 0 H ASN A 60 13.282 6.790 2.118 1.00 0.00 H new ATOM 0 HA ASN A 60 15.632 7.294 0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.020 5.556 2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.034 4.522 1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.504 4.945 2.716 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.916 4.616 3.415 1.00 0.00 H new ATOM 987 N HIS A 61 13.304 6.858 -1.165 1.00 0.00 N ATOM 988 CA HIS A 61 12.621 6.470 -2.389 1.00 0.00 C ATOM 989 C HIS A 61 11.849 7.654 -2.971 1.00 0.00 C ATOM 990 O HIS A 61 11.834 7.865 -4.184 1.00 0.00 O ATOM 991 CB HIS A 61 11.668 5.306 -2.111 1.00 0.00 C ATOM 992 CG HIS A 61 11.334 4.503 -3.329 1.00 0.00 C ATOM 993 ND1 HIS A 61 10.387 4.893 -4.253 1.00 0.00 N ATOM 994 CD2 HIS A 61 11.832 3.325 -3.777 1.00 0.00 C ATOM 995 CE1 HIS A 61 10.316 3.990 -5.216 1.00 0.00 C ATOM 996 NE2 HIS A 61 11.183 3.030 -4.950 1.00 0.00 N ATOM 0 H HIS A 61 13.035 7.776 -0.810 1.00 0.00 H new ATOM 0 HA HIS A 61 13.367 6.152 -3.117 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.117 4.650 -1.365 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.747 5.697 -1.679 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.597 2.730 -3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.661 4.030 -6.074 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.344 2.202 -5.524 1.00 0.00 H new ATOM 1005 N ALA A 62 11.212 8.424 -2.093 1.00 0.00 N ATOM 1006 CA ALA A 62 10.439 9.591 -2.504 1.00 0.00 C ATOM 1007 C ALA A 62 10.235 10.544 -1.330 1.00 0.00 C ATOM 1008 O ALA A 62 9.190 10.531 -0.682 1.00 0.00 O ATOM 1009 CB ALA A 62 9.096 9.164 -3.080 1.00 0.00 C ATOM 0 H ALA A 62 11.217 8.259 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 62 10.998 10.116 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.532 10.047 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.259 8.524 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.534 8.615 -2.324 1.00 0.00 H new ATOM 1015 N LYS A 63 11.243 11.367 -1.061 1.00 0.00 N ATOM 1016 CA LYS A 63 11.177 12.325 0.038 1.00 0.00 C ATOM 1017 C LYS A 63 10.027 13.307 -0.163 1.00 0.00 C ATOM 1018 O LYS A 63 10.225 14.417 -0.656 1.00 0.00 O ATOM 1019 CB LYS A 63 12.497 13.088 0.158 1.00 0.00 C ATOM 1020 CG LYS A 63 12.888 13.406 1.593 1.00 0.00 C ATOM 1021 CD LYS A 63 12.756 14.892 1.890 1.00 0.00 C ATOM 1022 CE LYS A 63 14.015 15.653 1.511 1.00 0.00 C ATOM 1023 NZ LYS A 63 14.042 15.989 0.061 1.00 0.00 N ATOM 0 H LYS A 63 12.116 11.390 -1.589 1.00 0.00 H new ATOM 0 HA LYS A 63 11.001 11.770 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.290 12.500 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.421 14.019 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.257 12.840 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.915 13.088 1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.906 15.299 1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.550 15.035 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.076 16.570 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.891 15.055 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.757 16.724 -0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.280 15.139 -0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.108 16.339 -0.232 1.00 0.00 H new ATOM 1092 N ARG A 68 3.941 18.174 2.058 1.00 0.00 N ATOM 1093 CA ARG A 68 4.442 18.786 3.285 1.00 0.00 C ATOM 1094 C ARG A 68 5.143 17.758 4.161 1.00 0.00 C ATOM 1095 O ARG A 68 6.266 17.970 4.619 1.00 0.00 O ATOM 1096 CB ARG A 68 3.294 19.437 4.061 1.00 0.00 C ATOM 1097 CG ARG A 68 2.682 20.637 3.356 1.00 0.00 C ATOM 1098 CD ARG A 68 1.696 21.369 4.254 1.00 0.00 C ATOM 1099 NE ARG A 68 0.552 21.888 3.503 1.00 0.00 N ATOM 1100 CZ ARG A 68 -0.690 21.412 3.600 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -0.967 20.395 4.409 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -1.662 21.956 2.880 1.00 0.00 N ATOM 0 HA ARG A 68 5.166 19.552 3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.516 18.693 4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.660 19.749 5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.473 21.321 3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.175 20.308 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.342 20.692 5.032 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.204 22.193 4.755 1.00 0.00 H new ATOM 0 HE ARG A 68 0.715 22.665 2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.226 19.969 4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.921 20.040 4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.458 22.736 2.255 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.613 21.595 2.952 1.00 0.00 H new ATOM 1116 N ASN A 69 4.463 16.649 4.388 1.00 0.00 N ATOM 1117 CA ASN A 69 4.994 15.567 5.210 1.00 0.00 C ATOM 1118 C ASN A 69 4.260 14.263 4.907 1.00 0.00 C ATOM 1119 O ASN A 69 3.514 14.180 3.932 1.00 0.00 O ATOM 1120 CB ASN A 69 4.861 15.919 6.693 1.00 0.00 C ATOM 1121 CG ASN A 69 3.426 16.195 7.095 1.00 0.00 C ATOM 1122 OD1 ASN A 69 2.524 15.411 6.799 1.00 0.00 O ATOM 1123 ND2 ASN A 69 3.207 17.317 7.771 1.00 0.00 N ATOM 0 H ASN A 69 3.532 16.469 4.012 1.00 0.00 H new ATOM 0 HA ASN A 69 6.050 15.434 4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.253 15.099 7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.472 16.795 6.912 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.261 17.558 8.066 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.985 17.938 7.995 1.00 0.00 H new ATOM 1130 N VAL A 70 4.467 13.248 5.742 1.00 0.00 N ATOM 1131 CA VAL A 70 3.806 11.960 5.543 1.00 0.00 C ATOM 1132 C VAL A 70 2.472 11.913 6.275 1.00 0.00 C ATOM 1133 O VAL A 70 1.533 11.249 5.838 1.00 0.00 O ATOM 1134 CB VAL A 70 4.670 10.754 5.996 1.00 0.00 C ATOM 1135 CG1 VAL A 70 4.864 9.781 4.846 1.00 0.00 C ATOM 1136 CG2 VAL A 70 6.019 11.197 6.543 1.00 0.00 C ATOM 0 H VAL A 70 5.081 13.290 6.555 1.00 0.00 H new ATOM 0 HA VAL A 70 3.649 11.874 4.468 1.00 0.00 H new ATOM 0 HB VAL A 70 4.135 10.253 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.472 8.940 5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.893 9.416 4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.366 10.287 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.593 10.322 6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.566 11.737 5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.867 11.850 7.403 1.00 0.00 H new ATOM 1146 N ASP A 71 2.396 12.626 7.390 1.00 0.00 N ATOM 1147 CA ASP A 71 1.175 12.670 8.187 1.00 0.00 C ATOM 1148 C ASP A 71 -0.012 13.071 7.330 1.00 0.00 C ATOM 1149 O ASP A 71 -0.898 12.262 7.055 1.00 0.00 O ATOM 1150 CB ASP A 71 1.335 13.643 9.358 1.00 0.00 C ATOM 1151 CG ASP A 71 0.723 13.111 10.639 1.00 0.00 C ATOM 1152 OD1 ASP A 71 1.366 12.268 11.299 1.00 0.00 O ATOM 1153 OD2 ASP A 71 -0.399 13.538 10.982 1.00 0.00 O ATOM 0 H ASP A 71 3.165 13.182 7.764 1.00 0.00 H new ATOM 0 HA ASP A 71 0.992 11.672 8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.394 13.841 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.868 14.594 9.103 1.00 0.00 H new ATOM 1158 N VAL A 72 -0.012 14.317 6.898 1.00 0.00 N ATOM 1159 CA VAL A 72 -1.080 14.830 6.051 1.00 0.00 C ATOM 1160 C VAL A 72 -1.202 13.994 4.782 1.00 0.00 C ATOM 1161 O VAL A 72 -2.253 13.964 4.142 1.00 0.00 O ATOM 1162 CB VAL A 72 -0.842 16.303 5.666 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -2.054 16.872 4.942 1.00 0.00 C ATOM 1164 CG2 VAL A 72 -0.510 17.128 6.901 1.00 0.00 C ATOM 0 H VAL A 72 0.716 14.997 7.118 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.005 14.767 6.624 1.00 0.00 H new ATOM 0 HB VAL A 72 0.009 16.349 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.865 17.913 4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.239 16.296 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.927 16.815 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.345 18.166 6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.339 17.076 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.392 16.734 7.370 1.00 0.00 H new ATOM 1174 N HIS A 73 -0.117 13.309 4.433 1.00 0.00 N ATOM 1175 CA HIS A 73 -0.092 12.461 3.252 1.00 0.00 C ATOM 1176 C HIS A 73 -0.856 11.170 3.503 1.00 0.00 C ATOM 1177 O HIS A 73 -1.466 10.608 2.594 1.00 0.00 O ATOM 1178 CB HIS A 73 1.351 12.147 2.854 1.00 0.00 C ATOM 1179 CG HIS A 73 1.715 12.632 1.487 1.00 0.00 C ATOM 1180 ND1 HIS A 73 1.491 13.822 0.879 1.00 0.00 N flip ATOM 1181 CD2 HIS A 73 2.393 11.857 0.571 1.00 0.00 C flip ATOM 1182 CE1 HIS A 73 2.034 13.743 -0.380 1.00 0.00 C flip ATOM 1183 NE2 HIS A 73 2.572 12.548 -0.540 1.00 0.00 N flip ATOM 0 H HIS A 73 0.759 13.327 4.956 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.575 12.997 2.435 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.026 12.598 3.582 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.505 11.069 2.901 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.009 14.626 1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.726 10.843 0.736 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.023 14.530 -1.119 1.00 0.00 H new ATOM 1192 N ILE A 74 -0.819 10.707 4.745 1.00 0.00 N ATOM 1193 CA ILE A 74 -1.512 9.481 5.118 1.00 0.00 C ATOM 1194 C ILE A 74 -3.021 9.683 5.071 1.00 0.00 C ATOM 1195 O ILE A 74 -3.773 8.763 4.749 1.00 0.00 O ATOM 1196 CB ILE A 74 -1.102 8.998 6.527 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.397 8.695 6.574 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -1.906 7.767 6.927 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.079 9.207 7.825 1.00 0.00 C ATOM 0 H ILE A 74 -0.318 11.160 5.509 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.224 8.717 4.396 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.317 9.795 7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.544 7.617 6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.877 9.138 5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.603 7.442 7.922 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.968 8.012 6.933 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.723 6.965 6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.139 8.957 7.790 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.964 10.289 7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.626 8.744 8.702 1.00 0.00 H new ATOM 1211 N ALA A 75 -3.452 10.893 5.391 1.00 0.00 N ATOM 1212 CA ALA A 75 -4.868 11.225 5.383 1.00 0.00 C ATOM 1213 C ALA A 75 -5.402 11.283 3.962 1.00 0.00 C ATOM 1214 O ALA A 75 -6.576 11.008 3.713 1.00 0.00 O ATOM 1215 CB ALA A 75 -5.109 12.545 6.099 1.00 0.00 C ATOM 0 H ALA A 75 -2.840 11.663 5.660 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.405 10.440 5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.174 12.778 6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.770 12.466 7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.557 13.338 5.595 1.00 0.00 H new ATOM 1221 N SER A 76 -4.527 11.634 3.031 1.00 0.00 N ATOM 1222 CA SER A 76 -4.902 11.717 1.629 1.00 0.00 C ATOM 1223 C SER A 76 -5.190 10.331 1.075 1.00 0.00 C ATOM 1224 O SER A 76 -5.981 10.173 0.145 1.00 0.00 O ATOM 1225 CB SER A 76 -3.796 12.391 0.817 1.00 0.00 C ATOM 1226 OG SER A 76 -4.298 12.901 -0.406 1.00 0.00 O ATOM 0 H SER A 76 -3.552 11.866 3.222 1.00 0.00 H new ATOM 0 HA SER A 76 -5.807 12.320 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.356 13.201 1.399 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.000 11.674 0.616 1.00 0.00 H new ATOM 0 HG SER A 76 -3.889 13.773 -0.589 1.00 0.00 H new ATOM 1232 N LEU A 77 -4.549 9.327 1.660 1.00 0.00 N ATOM 1233 CA LEU A 77 -4.743 7.952 1.231 1.00 0.00 C ATOM 1234 C LEU A 77 -6.174 7.515 1.479 1.00 0.00 C ATOM 1235 O LEU A 77 -6.751 6.757 0.701 1.00 0.00 O ATOM 1236 CB LEU A 77 -3.777 7.022 1.959 1.00 0.00 C ATOM 1237 CG LEU A 77 -2.467 6.758 1.222 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -1.359 7.645 1.768 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -2.087 5.290 1.327 1.00 0.00 C ATOM 0 H LEU A 77 -3.892 9.441 2.432 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.541 7.897 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.549 7.450 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.276 6.069 2.137 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.606 7.000 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.433 7.443 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.633 8.692 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.216 7.437 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.151 5.118 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.965 5.020 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.873 4.678 0.884 1.00 0.00 H new ATOM 1251 N ARG A 78 -6.744 8.009 2.564 1.00 0.00 N ATOM 1252 CA ARG A 78 -8.109 7.686 2.917 1.00 0.00 C ATOM 1253 C ARG A 78 -9.073 8.185 1.848 1.00 0.00 C ATOM 1254 O ARG A 78 -10.201 7.706 1.740 1.00 0.00 O ATOM 1255 CB ARG A 78 -8.448 8.312 4.265 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.999 7.480 5.453 1.00 0.00 C ATOM 1257 CD ARG A 78 -8.646 7.961 6.739 1.00 0.00 C ATOM 1258 NE ARG A 78 -8.409 9.384 6.973 1.00 0.00 N ATOM 1259 CZ ARG A 78 -9.079 10.108 7.867 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -10.025 9.547 8.610 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -8.803 11.396 8.018 1.00 0.00 N ATOM 0 H ARG A 78 -6.277 8.638 3.217 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.209 6.603 2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.984 9.296 4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.526 8.463 4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.254 6.434 5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.914 7.532 5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.719 7.775 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.255 7.386 7.578 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.689 9.849 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.242 8.557 8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.535 10.106 9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.077 11.832 7.449 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.316 11.951 8.703 1.00 0.00 H new ATOM 1275 N LYS A 79 -8.618 9.154 1.060 1.00 0.00 N ATOM 1276 CA LYS A 79 -9.437 9.722 -0.002 1.00 0.00 C ATOM 1277 C LYS A 79 -9.239 8.971 -1.310 1.00 0.00 C ATOM 1278 O LYS A 79 -10.197 8.513 -1.933 1.00 0.00 O ATOM 1279 CB LYS A 79 -9.111 11.206 -0.190 1.00 0.00 C ATOM 1280 CG LYS A 79 -10.308 12.121 0.012 1.00 0.00 C ATOM 1281 CD LYS A 79 -10.340 13.236 -1.020 1.00 0.00 C ATOM 1282 CE LYS A 79 -11.326 12.933 -2.138 1.00 0.00 C ATOM 1283 NZ LYS A 79 -11.942 14.172 -2.688 1.00 0.00 N ATOM 0 H LYS A 79 -7.686 9.562 1.138 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.482 9.623 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.325 11.489 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.713 11.358 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.227 11.538 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.273 12.552 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.614 14.173 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.343 13.373 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.815 12.397 -2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.109 12.274 -1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.607 13.921 -3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.452 14.671 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.198 14.790 -3.070 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.989 8.861 -1.718 1.00 0.00 N ATOM 1298 CA LYS A 80 -7.638 8.180 -2.957 1.00 0.00 C ATOM 1299 C LYS A 80 -7.709 6.670 -2.793 1.00 0.00 C ATOM 1300 O LYS A 80 -8.340 5.973 -3.588 1.00 0.00 O ATOM 1301 CB LYS A 80 -6.239 8.593 -3.413 1.00 0.00 C ATOM 1302 CG LYS A 80 -6.201 9.942 -4.114 1.00 0.00 C ATOM 1303 CD LYS A 80 -6.934 9.900 -5.445 1.00 0.00 C ATOM 1304 CE LYS A 80 -6.895 11.247 -6.150 1.00 0.00 C ATOM 1305 NZ LYS A 80 -8.232 11.900 -6.170 1.00 0.00 N ATOM 0 H LYS A 80 -7.191 9.237 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.361 8.474 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.578 8.624 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.846 7.832 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.652 10.699 -3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.165 10.239 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.484 9.141 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.970 9.605 -5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.180 11.899 -5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.541 11.112 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.164 12.815 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.909 11.290 -6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.559 12.052 -5.194 1.00 0.00 H new ATOM 1319 N LEU A 81 -7.054 6.178 -1.759 1.00 0.00 N ATOM 1320 CA LEU A 81 -7.028 4.749 -1.472 1.00 0.00 C ATOM 1321 C LEU A 81 -8.357 4.286 -0.881 1.00 0.00 C ATOM 1322 O LEU A 81 -9.119 3.567 -1.527 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.886 4.422 -0.501 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.037 3.189 -0.848 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -5.803 2.213 -1.732 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -3.741 3.614 -1.517 1.00 0.00 C ATOM 0 H LEU A 81 -6.528 6.748 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.864 4.220 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.226 5.288 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.311 4.278 0.492 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.800 2.672 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.172 1.353 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.700 1.878 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.086 2.708 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.149 2.731 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.966 4.160 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.176 4.256 -0.841 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.625 4.702 0.353 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.860 4.321 1.015 1.00 0.00 C ATOM 1340 C GLY A 82 -9.624 3.434 2.223 1.00 0.00 C ATOM 1341 O GLY A 82 -8.787 3.741 3.073 1.00 0.00 O ATOM 0 H GLY A 82 -8.009 5.297 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.393 5.219 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.502 3.799 0.306 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.363 2.331 2.298 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.233 1.394 3.409 1.00 0.00 C ATOM 1347 C ALA A 83 -8.888 0.667 3.376 1.00 0.00 C ATOM 1348 O ALA A 83 -8.499 0.021 4.349 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.377 0.392 3.387 1.00 0.00 C ATOM 0 H ALA A 83 -11.059 2.064 1.602 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.277 1.966 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.269 -0.302 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.326 0.921 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.357 -0.162 2.449 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.179 0.780 2.255 1.00 0.00 N ATOM 1356 CA TYR A 84 -6.880 0.141 2.102 1.00 0.00 C ATOM 1357 C TYR A 84 -5.771 1.077 2.568 1.00 0.00 C ATOM 1358 O TYR A 84 -4.908 0.691 3.356 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.656 -0.260 0.643 1.00 0.00 C ATOM 1360 CG TYR A 84 -7.823 -1.004 0.033 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -8.231 -2.232 0.539 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -8.517 -0.478 -1.051 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -9.297 -2.914 -0.016 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -9.584 -1.155 -1.611 1.00 0.00 C ATOM 1365 CZ TYR A 84 -9.970 -2.372 -1.090 1.00 0.00 C ATOM 1366 OH TYR A 84 -11.031 -3.048 -1.646 1.00 0.00 O ATOM 0 H TYR A 84 -8.486 1.310 1.439 1.00 0.00 H new ATOM 0 HA TYR A 84 -6.859 -0.757 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.460 0.636 0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.765 -0.884 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.706 -2.661 1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.218 0.475 -1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.601 -3.867 0.390 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.113 -0.733 -2.453 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.711 -3.878 -2.057 1.00 0.00 H new ATOM 1376 N GLY A 85 -5.811 2.317 2.087 1.00 0.00 N ATOM 1377 CA GLY A 85 -4.814 3.296 2.480 1.00 0.00 C ATOM 1378 C GLY A 85 -4.885 3.602 3.957 1.00 0.00 C ATOM 1379 O GLY A 85 -3.887 3.976 4.573 1.00 0.00 O ATOM 0 H GLY A 85 -6.515 2.660 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.820 2.923 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.961 4.214 1.911 1.00 0.00 H new ATOM 1383 N SER A 86 -6.072 3.429 4.529 1.00 0.00 N ATOM 1384 CA SER A 86 -6.278 3.673 5.947 1.00 0.00 C ATOM 1385 C SER A 86 -5.488 2.675 6.788 1.00 0.00 C ATOM 1386 O SER A 86 -5.375 2.833 8.004 1.00 0.00 O ATOM 1387 CB SER A 86 -7.766 3.585 6.291 1.00 0.00 C ATOM 1388 OG SER A 86 -8.008 4.010 7.621 1.00 0.00 O ATOM 0 H SER A 86 -6.906 3.120 4.029 1.00 0.00 H new ATOM 0 HA SER A 86 -5.921 4.677 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.340 4.202 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.111 2.559 6.165 1.00 0.00 H new ATOM 0 HG SER A 86 -7.192 3.903 8.152 1.00 0.00 H new ATOM 1394 N ARG A 87 -4.935 1.646 6.136 1.00 0.00 N ATOM 1395 CA ARG A 87 -4.150 0.632 6.835 1.00 0.00 C ATOM 1396 C ARG A 87 -3.172 1.285 7.804 1.00 0.00 C ATOM 1397 O ARG A 87 -2.885 0.747 8.873 1.00 0.00 O ATOM 1398 CB ARG A 87 -3.385 -0.239 5.836 1.00 0.00 C ATOM 1399 CG ARG A 87 -2.801 -1.500 6.454 1.00 0.00 C ATOM 1400 CD ARG A 87 -2.454 -2.535 5.396 1.00 0.00 C ATOM 1401 NE ARG A 87 -3.533 -2.711 4.426 1.00 0.00 N ATOM 1402 CZ ARG A 87 -3.501 -2.244 3.178 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -2.450 -1.564 2.734 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -4.530 -2.455 2.369 1.00 0.00 N ATOM 0 H ARG A 87 -5.018 1.497 5.130 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.838 0.002 7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.055 -0.519 5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.578 0.348 5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.906 -1.246 7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.516 -1.925 7.158 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.545 -2.231 4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.241 -3.489 5.878 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.363 -3.224 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.655 -1.394 3.350 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.438 -1.212 1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.343 -2.973 2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.509 -2.099 1.413 1.00 0.00 H new ATOM 1418 N ILE A 88 -2.674 2.458 7.425 1.00 0.00 N ATOM 1419 CA ILE A 88 -1.738 3.194 8.268 1.00 0.00 C ATOM 1420 C ILE A 88 -2.417 3.620 9.565 1.00 0.00 C ATOM 1421 O ILE A 88 -2.911 4.743 9.677 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.190 4.447 7.552 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -0.761 4.109 6.121 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.023 5.036 8.333 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -1.304 5.072 5.088 1.00 0.00 C ATOM 0 H ILE A 88 -2.902 2.918 6.543 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.905 2.526 8.485 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.986 5.190 7.503 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.328 4.106 6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.095 3.100 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.353 5.919 7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.358 5.316 9.332 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.773 4.295 8.412 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.962 4.774 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.394 5.058 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.949 6.079 5.307 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.452 2.714 10.537 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.088 2.995 11.818 1.00 0.00 C ATOM 1439 C VAL A 89 -2.129 3.676 12.788 1.00 0.00 C ATOM 1440 O VAL A 89 -0.994 3.236 12.972 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.627 1.706 12.467 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.396 2.025 13.740 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.501 0.939 11.485 1.00 0.00 C ATOM 0 H VAL A 89 -2.048 1.780 10.462 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.918 3.671 11.611 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.779 1.076 12.734 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.768 1.101 14.182 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.736 2.526 14.448 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.236 2.678 13.504 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.873 0.032 11.961 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.343 1.562 11.184 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.914 0.673 10.606 1.00 0.00 H new ATOM 1453 N THR A 90 -2.606 4.745 13.416 1.00 0.00 N ATOM 1454 CA THR A 90 -1.809 5.488 14.383 1.00 0.00 C ATOM 1455 C THR A 90 -2.277 5.175 15.799 1.00 0.00 C ATOM 1456 O THR A 90 -3.100 5.894 16.365 1.00 0.00 O ATOM 1457 CB THR A 90 -1.915 6.990 14.117 1.00 0.00 C ATOM 1458 OG1 THR A 90 -1.672 7.276 12.750 1.00 0.00 O ATOM 1459 CG2 THR A 90 -0.946 7.814 14.939 1.00 0.00 C ATOM 0 H THR A 90 -3.545 5.117 13.271 1.00 0.00 H new ATOM 0 HA THR A 90 -0.767 5.187 14.280 1.00 0.00 H new ATOM 0 HB THR A 90 -2.931 7.263 14.403 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.746 8.242 12.600 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.074 8.870 14.702 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.141 7.654 15.999 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.075 7.512 14.708 1.00 0.00 H new ATOM 1467 N LEU A 91 -1.756 4.091 16.362 1.00 0.00 N ATOM 1468 CA LEU A 91 -2.132 3.674 17.708 1.00 0.00 C ATOM 1469 C LEU A 91 -1.587 4.638 18.758 1.00 0.00 C ATOM 1470 O LEU A 91 -0.376 4.821 18.879 1.00 0.00 O ATOM 1471 CB LEU A 91 -1.626 2.256 17.982 1.00 0.00 C ATOM 1472 CG LEU A 91 -2.669 1.151 17.795 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -2.060 -0.047 17.081 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -3.254 0.733 19.138 1.00 0.00 C ATOM 0 H LEU A 91 -1.072 3.485 15.908 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.220 3.684 17.772 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.782 2.054 17.323 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.250 2.211 19.004 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.476 1.544 17.177 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.818 -0.821 16.958 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.693 0.261 16.102 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.232 -0.440 17.671 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.993 -0.053 18.984 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.457 0.361 19.782 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.731 1.592 19.610 1.00 0.00 H new ATOM 1486 N ARG A 92 -2.493 5.247 19.518 1.00 0.00 N ATOM 1487 CA ARG A 92 -2.108 6.188 20.564 1.00 0.00 C ATOM 1488 C ARG A 92 -1.404 5.462 21.704 1.00 0.00 C ATOM 1489 O ARG A 92 -1.963 5.286 22.787 1.00 0.00 O ATOM 1490 CB ARG A 92 -3.338 6.928 21.093 1.00 0.00 C ATOM 1491 CG ARG A 92 -3.827 8.034 20.171 1.00 0.00 C ATOM 1492 CD ARG A 92 -5.219 8.505 20.556 1.00 0.00 C ATOM 1493 NE ARG A 92 -5.228 9.193 21.845 1.00 0.00 N ATOM 1494 CZ ARG A 92 -6.321 9.712 22.400 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -7.492 9.625 21.782 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -6.242 10.322 23.575 1.00 0.00 N ATOM 0 H ARG A 92 -3.499 5.105 19.429 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.418 6.914 20.135 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.145 6.211 21.246 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.103 7.356 22.067 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.134 8.874 20.210 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.835 7.674 19.142 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.601 9.174 19.785 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.893 7.649 20.597 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.345 9.281 22.349 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.558 9.159 20.877 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.326 10.024 22.212 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.344 10.393 24.053 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.079 10.720 24.000 1.00 0.00 H new ATOM 1510 N GLY A 93 -0.174 5.034 21.445 1.00 0.00 N ATOM 1511 CA GLY A 93 0.595 4.321 22.446 1.00 0.00 C ATOM 1512 C GLY A 93 1.532 3.308 21.822 1.00 0.00 C ATOM 1513 O GLY A 93 2.569 2.973 22.394 1.00 0.00 O ATOM 0 H GLY A 93 0.306 5.169 20.555 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.171 5.033 23.036 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.084 3.814 23.132 1.00 0.00 H new ATOM 1517 N VAL A 94 1.166 2.826 20.639 1.00 0.00 N ATOM 1518 CA VAL A 94 1.979 1.852 19.925 1.00 0.00 C ATOM 1519 C VAL A 94 2.847 2.543 18.883 1.00 0.00 C ATOM 1520 O VAL A 94 4.072 2.415 18.894 1.00 0.00 O ATOM 1521 CB VAL A 94 1.115 0.790 19.219 1.00 0.00 C ATOM 1522 CG1 VAL A 94 1.975 -0.383 18.781 1.00 0.00 C ATOM 1523 CG2 VAL A 94 -0.019 0.319 20.117 1.00 0.00 C ATOM 0 H VAL A 94 0.310 3.096 20.155 1.00 0.00 H new ATOM 0 HA VAL A 94 2.605 1.358 20.668 1.00 0.00 H new ATOM 0 HB VAL A 94 0.671 1.247 18.334 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.351 -1.126 18.284 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.743 -0.033 18.091 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.449 -0.833 19.654 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.612 -0.430 19.592 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.394 -0.117 21.026 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.653 1.167 20.377 1.00 0.00 H new ATOM 1533 N GLY A 95 2.201 3.278 17.985 1.00 0.00 N ATOM 1534 CA GLY A 95 2.924 3.983 16.946 1.00 0.00 C ATOM 1535 C GLY A 95 2.202 3.961 15.615 1.00 0.00 C ATOM 1536 O GLY A 95 1.161 4.598 15.451 1.00 0.00 O ATOM 0 H GLY A 95 1.188 3.398 17.959 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.079 5.017 17.254 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.911 3.535 16.827 1.00 0.00 H new ATOM 1540 N TYR A 96 2.763 3.229 14.661 1.00 0.00 N ATOM 1541 CA TYR A 96 2.182 3.123 13.330 1.00 0.00 C ATOM 1542 C TYR A 96 1.988 1.661 12.939 1.00 0.00 C ATOM 1543 O TYR A 96 2.953 0.951 12.657 1.00 0.00 O ATOM 1544 CB TYR A 96 3.083 3.823 12.309 1.00 0.00 C ATOM 1545 CG TYR A 96 2.639 5.229 11.969 1.00 0.00 C ATOM 1546 CD1 TYR A 96 3.011 6.307 12.762 1.00 0.00 C ATOM 1547 CD2 TYR A 96 1.848 5.477 10.855 1.00 0.00 C ATOM 1548 CE1 TYR A 96 2.607 7.593 12.455 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.440 6.760 10.541 1.00 0.00 C ATOM 1550 CZ TYR A 96 1.822 7.814 11.344 1.00 0.00 C ATOM 1551 OH TYR A 96 1.418 9.092 11.034 1.00 0.00 O ATOM 0 H TYR A 96 3.624 2.697 14.786 1.00 0.00 H new ATOM 0 HA TYR A 96 1.206 3.609 13.340 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.100 3.857 12.699 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.111 3.229 11.395 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.626 6.138 13.633 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.547 4.654 10.224 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.905 8.420 13.082 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.825 6.936 9.671 1.00 0.00 H new ATOM 0 HH TYR A 96 2.092 9.732 11.345 1.00 0.00 H new ATOM 1561 N LEU A 97 0.735 1.215 12.925 1.00 0.00 N ATOM 1562 CA LEU A 97 0.421 -0.163 12.569 1.00 0.00 C ATOM 1563 C LEU A 97 -0.235 -0.233 11.196 1.00 0.00 C ATOM 1564 O LEU A 97 -0.867 0.722 10.749 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.506 -0.787 13.618 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.006 -2.198 13.292 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -1.282 -2.978 14.568 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -2.257 -2.140 12.426 1.00 0.00 C ATOM 0 H LEU A 97 -0.077 1.787 13.156 1.00 0.00 H new ATOM 0 HA LEU A 97 1.355 -0.724 12.538 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.020 -0.817 14.572 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.369 -0.135 13.750 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.224 -2.713 12.734 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.636 -3.977 14.314 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.365 -3.055 15.153 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.043 -2.461 15.153 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.595 -3.153 12.207 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.043 -1.602 12.957 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.030 -1.623 11.494 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.094 -1.377 10.538 1.00 0.00 N ATOM 1581 CA PHE A 98 -0.687 -1.582 9.222 1.00 0.00 C ATOM 1582 C PHE A 98 -1.724 -2.698 9.293 1.00 0.00 C ATOM 1583 O PHE A 98 -1.400 -3.873 9.126 1.00 0.00 O ATOM 1584 CB PHE A 98 0.386 -1.916 8.180 1.00 0.00 C ATOM 1585 CG PHE A 98 1.764 -1.428 8.539 1.00 0.00 C ATOM 1586 CD1 PHE A 98 1.949 -0.160 9.067 1.00 0.00 C ATOM 1587 CD2 PHE A 98 2.872 -2.238 8.349 1.00 0.00 C ATOM 1588 CE1 PHE A 98 3.211 0.290 9.399 1.00 0.00 C ATOM 1589 CE2 PHE A 98 4.138 -1.793 8.680 1.00 0.00 C ATOM 1590 CZ PHE A 98 4.307 -0.527 9.205 1.00 0.00 C ATOM 0 H PHE A 98 0.427 -2.178 10.895 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.175 -0.657 8.914 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.419 -2.997 8.042 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.096 -1.481 7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.096 0.484 9.221 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.745 -3.228 7.938 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.341 1.280 9.810 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.994 -2.434 8.528 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.295 -0.176 9.464 1.00 0.00 H new ATOM 1600 N SER A 99 -2.966 -2.313 9.574 1.00 0.00 N ATOM 1601 CA SER A 99 -4.075 -3.262 9.708 1.00 0.00 C ATOM 1602 C SER A 99 -4.021 -4.384 8.670 1.00 0.00 C ATOM 1603 O SER A 99 -3.319 -4.291 7.664 1.00 0.00 O ATOM 1604 CB SER A 99 -5.411 -2.527 9.606 1.00 0.00 C ATOM 1605 OG SER A 99 -5.796 -1.990 10.860 1.00 0.00 O ATOM 0 H SER A 99 -3.235 -1.339 9.715 1.00 0.00 H new ATOM 0 HA SER A 99 -3.978 -3.725 10.690 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.333 -1.725 8.872 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.180 -3.212 9.249 1.00 0.00 H new ATOM 0 HG SER A 99 -6.653 -1.524 10.767 1.00 0.00 H new