USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 767 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: B 43 SER OG : rot -99:sc= 1.19 USER MOD Set 1.2: B 44 THR OG1 : rot 109:sc= 2.08 USER MOD Set 2.1: B 38 GLN : amide:sc= 0.551 K(o=2.4,f=-0.18) USER MOD Set 2.2: B 39 GLN : amide:sc= 1.88 K(o=2.4,f=-0.12) USER MOD Set 3.1: B 17 CYS SG : rot 175:sc= 0.52 USER MOD Set 3.2: B 46 SER OG : rot 143:sc= 0.818 USER MOD Set 4.1: B 16 CYS SG : rot 143:sc= 1.38! USER MOD Set 4.2: B 19 CYS SG : rot 64:sc= 1.15 USER MOD Set 4.3: B 49 CYS SG : rot 23:sc= 2.19 USER MOD Set 4.4: B 52 CYS SG : rot 173:sc= 1.14 USER MOD Set 5.1: A 16 CYS SG : rot -165:sc= -0.241! USER MOD Set 5.2: A 19 CYS SG : rot -19:sc= 1.16! USER MOD Set 5.3: A 49 CYS SG : rot -56:sc= 0.9 USER MOD Set 5.4: A 52 CYS SG : rot -137:sc= -3.74! USER MOD Set 6.1: A 44 THR OG1 : rot 133:sc= 1.12 USER MOD Set 6.2: B 8 GLN : amide:sc= 2.29 K(o=4.3,f=-1.9!) USER MOD Set 6.3: B 30 SER OG : rot 180:sc= 0.853 USER MOD Set 7.1: A 8 GLN : amide:sc= 0.741 K(o=1.7,f=1.1) USER MOD Set 7.2: A 30 SER OG : rot 180:sc= 0.916 USER MOD Single : A 10 HIS : no HE2:sc= 0.14 K(o=0.14,f=-2.7!) USER MOD Single : A 11 LYS NZ :NH3+ -115:sc= 1.31 (180deg=0.0745) USER MOD Single : A 14 CYS SG : rot -78:sc= 0.497 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 3:sc= 0.71 USER MOD Single : A 29 SER OG : rot -170:sc= -0.458 USER MOD Single : A 36 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 1.12 K(o=1.1,f=-0.081) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 111:sc= 0.623 USER MOD Single : A 54 THR OG1 : rot 100:sc= 1.23 USER MOD Single : A 55 ASN : amide:sc= -0.844 K(o=-0.84,f=-2.6!) USER MOD Single : B 10 HIS : no HE2:sc= -0.183 K(o=-0.18,f=-2.7!) USER MOD Single : B 11 LYS NZ :NH3+ 150:sc= 1.22 (180deg=0.987) USER MOD Single : B 14 CYS SG : rot -80:sc= 0.465 USER MOD Single : B 18 LYS NZ :NH3+ -177:sc= 2.34 (180deg=2.2) USER MOD Single : B 26 THR OG1 : rot 66:sc= 1.05 USER MOD Single : B 29 SER OG : rot -160:sc= -0.473 USER MOD Single : B 36 THR OG1 : rot 91:sc= 1.28 USER MOD Single : B 54 THR OG1 : rot 69:sc= 1.24 USER MOD Single : B 55 ASN : amide:sc= -0.568 K(o=-0.57,f=-2.4!) USER MOD Single : B 56 GLN : amide:sc= 1.56 K(o=1.6,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 8 -13.903 -2.571 0.587 1.00 0.00 N ATOM 93 CA GLN A 8 -12.682 -2.587 -0.196 1.00 0.00 C ATOM 94 C GLN A 8 -11.771 -1.444 0.265 1.00 0.00 C ATOM 95 O GLN A 8 -10.716 -1.724 0.817 1.00 0.00 O ATOM 96 CB GLN A 8 -13.055 -2.578 -1.694 1.00 0.00 C ATOM 97 CG GLN A 8 -12.044 -3.298 -2.603 1.00 0.00 C ATOM 98 CD GLN A 8 -11.823 -4.798 -2.351 1.00 0.00 C ATOM 99 OE1 GLN A 8 -10.811 -5.350 -2.765 1.00 0.00 O ATOM 100 NE2 GLN A 8 -12.710 -5.511 -1.667 1.00 0.00 N ATOM 0 HA GLN A 8 -12.100 -3.495 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.032 -3.045 -1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.152 -1.544 -2.026 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.368 -3.172 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.083 -2.793 -2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.558 -5.067 -1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.543 -6.502 -1.494 1.00 0.00 H new ATOM 109 N ARG A 9 -12.147 -0.170 0.080 1.00 0.00 N ATOM 110 CA ARG A 9 -11.397 1.016 0.493 1.00 0.00 C ATOM 111 C ARG A 9 -11.132 0.985 2.002 1.00 0.00 C ATOM 112 O ARG A 9 -11.963 1.456 2.780 1.00 0.00 O ATOM 113 CB ARG A 9 -12.196 2.242 0.006 1.00 0.00 C ATOM 114 CG ARG A 9 -11.541 3.603 0.179 1.00 0.00 C ATOM 115 CD ARG A 9 -11.690 4.298 1.540 1.00 0.00 C ATOM 116 NE ARG A 9 -13.096 4.418 1.961 1.00 0.00 N ATOM 117 CZ ARG A 9 -13.899 5.495 1.935 1.00 0.00 C ATOM 118 NH1 ARG A 9 -13.479 6.732 1.656 1.00 0.00 N ATOM 119 NH2 ARG A 9 -15.195 5.351 2.196 1.00 0.00 N ATOM 0 H ARG A 9 -13.024 0.068 -0.384 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.404 1.058 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.417 2.104 -1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.151 2.256 0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.476 3.491 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.944 4.269 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.135 3.738 2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.244 5.291 1.488 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.520 3.564 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.495 6.901 1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.142 7.507 1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.572 4.429 2.414 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.812 6.163 2.179 1.00 0.00 H new ATOM 133 N HIS A 10 -9.984 0.431 2.411 1.00 0.00 N ATOM 134 CA HIS A 10 -9.678 0.090 3.800 1.00 0.00 C ATOM 135 C HIS A 10 -8.358 0.738 4.210 1.00 0.00 C ATOM 136 O HIS A 10 -7.447 0.878 3.402 1.00 0.00 O ATOM 137 CB HIS A 10 -9.650 -1.435 3.974 1.00 0.00 C ATOM 138 CG HIS A 10 -10.993 -2.125 3.849 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.208 -3.438 3.507 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.225 -1.555 4.004 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.532 -3.653 3.483 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.200 -2.532 3.787 1.00 0.00 N ATOM 0 H HIS A 10 -9.226 0.203 1.768 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.457 0.478 4.456 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.973 -1.857 3.231 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.232 -1.665 4.954 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.486 -4.130 3.306 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.414 -0.521 4.253 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.996 -4.600 3.250 1.00 0.00 H new ATOM 150 N LYS A 11 -8.270 1.169 5.473 1.00 0.00 N ATOM 151 CA LYS A 11 -7.318 2.178 5.909 1.00 0.00 C ATOM 152 C LYS A 11 -6.489 1.644 7.068 1.00 0.00 C ATOM 153 O LYS A 11 -6.874 1.761 8.230 1.00 0.00 O ATOM 154 CB LYS A 11 -8.112 3.442 6.252 1.00 0.00 C ATOM 155 CG LYS A 11 -8.794 4.025 4.992 1.00 0.00 C ATOM 156 CD LYS A 11 -9.901 5.029 5.286 1.00 0.00 C ATOM 157 CE LYS A 11 -9.486 6.152 6.238 1.00 0.00 C ATOM 158 NZ LYS A 11 -9.150 7.414 5.537 1.00 0.00 N ATOM 0 H LYS A 11 -8.866 0.819 6.223 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.601 2.428 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.866 3.210 7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.446 4.187 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.037 4.507 4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.209 3.205 4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.238 5.469 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.753 4.500 5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.295 6.340 6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.624 5.826 6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.142 7.630 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.347 7.310 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.725 8.189 5.923 1.00 0.00 H new ATOM 172 N ILE A 12 -5.366 1.011 6.735 1.00 0.00 N ATOM 173 CA ILE A 12 -4.447 0.414 7.691 1.00 0.00 C ATOM 174 C ILE A 12 -3.535 1.541 8.175 1.00 0.00 C ATOM 175 O ILE A 12 -2.654 1.977 7.443 1.00 0.00 O ATOM 176 CB ILE A 12 -3.630 -0.730 7.044 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.496 -1.745 6.266 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.792 -1.436 8.129 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.661 -2.563 5.283 1.00 0.00 C ATOM 0 H ILE A 12 -5.066 0.898 5.767 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.988 -0.035 8.524 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.974 -0.278 6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.991 -2.415 6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.280 -1.215 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.215 -2.242 7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.113 -0.718 8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.455 -1.847 8.890 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.306 -3.266 4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.187 -1.895 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.894 -3.113 5.827 1.00 0.00 H new ATOM 191 N LEU A 13 -3.730 2.054 9.387 1.00 0.00 N ATOM 192 CA LEU A 13 -2.756 2.948 9.986 1.00 0.00 C ATOM 193 C LEU A 13 -1.471 2.168 10.244 1.00 0.00 C ATOM 194 O LEU A 13 -1.442 1.260 11.073 1.00 0.00 O ATOM 195 CB LEU A 13 -3.305 3.639 11.237 1.00 0.00 C ATOM 196 CG LEU A 13 -2.369 4.786 11.687 1.00 0.00 C ATOM 197 CD1 LEU A 13 -3.210 5.918 12.281 1.00 0.00 C ATOM 198 CD2 LEU A 13 -1.322 4.345 12.719 1.00 0.00 C ATOM 0 H LEU A 13 -4.548 1.865 9.966 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.531 3.761 9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.300 4.035 11.032 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.410 2.912 12.043 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.826 5.118 10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.555 6.729 12.600 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.906 6.288 11.528 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.769 5.544 13.139 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.699 5.197 12.992 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.825 3.964 13.608 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.698 3.561 12.291 1.00 0.00 H new ATOM 210 N CYS A 14 -0.421 2.540 9.517 1.00 0.00 N ATOM 211 CA CYS A 14 0.941 2.069 9.683 1.00 0.00 C ATOM 212 C CYS A 14 1.834 3.263 10.058 1.00 0.00 C ATOM 213 O CYS A 14 1.373 4.400 10.209 1.00 0.00 O ATOM 214 CB CYS A 14 1.360 1.393 8.364 1.00 0.00 C ATOM 215 SG CYS A 14 2.880 0.400 8.484 1.00 0.00 S ATOM 0 H CYS A 14 -0.508 3.215 8.757 1.00 0.00 H new ATOM 0 HA CYS A 14 1.036 1.338 10.486 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.547 0.752 8.023 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.501 2.161 7.604 1.00 0.00 H new ATOM 0 HG CYS A 14 3.915 1.187 8.472 1.00 0.00 H new ATOM 221 N VAL A 15 3.137 3.012 10.165 1.00 0.00 N ATOM 222 CA VAL A 15 4.166 4.039 10.130 1.00 0.00 C ATOM 223 C VAL A 15 5.088 3.777 8.939 1.00 0.00 C ATOM 224 O VAL A 15 5.096 2.681 8.371 1.00 0.00 O ATOM 225 CB VAL A 15 4.927 4.121 11.468 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.998 4.625 12.581 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.552 2.776 11.868 1.00 0.00 C ATOM 0 H VAL A 15 3.510 2.070 10.281 1.00 0.00 H new ATOM 0 HA VAL A 15 3.704 5.017 9.996 1.00 0.00 H new ATOM 0 HB VAL A 15 5.744 4.829 11.329 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.550 4.677 13.520 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.626 5.616 12.323 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.158 3.939 12.692 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.077 2.886 12.817 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.767 2.027 11.972 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.256 2.459 11.099 1.00 0.00 H new ATOM 237 N CYS A 16 5.842 4.807 8.559 1.00 0.00 N ATOM 238 CA CYS A 16 6.780 4.788 7.458 1.00 0.00 C ATOM 239 C CYS A 16 8.142 4.311 7.963 1.00 0.00 C ATOM 240 O CYS A 16 8.788 5.024 8.730 1.00 0.00 O ATOM 241 CB CYS A 16 6.911 6.210 6.903 1.00 0.00 C ATOM 242 SG CYS A 16 7.757 6.018 5.331 1.00 0.00 S ATOM 0 H CYS A 16 5.809 5.709 9.034 1.00 0.00 H new ATOM 0 HA CYS A 16 6.429 4.114 6.677 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.934 6.674 6.771 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.478 6.848 7.581 1.00 0.00 H new ATOM 0 HG CYS A 16 8.189 7.176 4.926 1.00 0.00 H new ATOM 247 N CYS A 17 8.620 3.143 7.529 1.00 0.00 N ATOM 248 CA CYS A 17 9.829 2.548 8.107 1.00 0.00 C ATOM 249 C CYS A 17 11.130 3.189 7.589 1.00 0.00 C ATOM 250 O CYS A 17 12.218 2.717 7.933 1.00 0.00 O ATOM 251 CB CYS A 17 9.818 1.025 7.930 1.00 0.00 C ATOM 252 SG CYS A 17 10.578 0.191 9.350 1.00 0.00 S ATOM 0 H CYS A 17 8.193 2.593 6.784 1.00 0.00 H new ATOM 0 HA CYS A 17 9.813 2.764 9.175 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.792 0.678 7.808 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.354 0.759 7.019 1.00 0.00 H new ATOM 0 HG CYS A 17 10.548 -1.095 9.165 1.00 0.00 H new ATOM 258 N LYS A 18 11.063 4.271 6.794 1.00 0.00 N ATOM 259 CA LYS A 18 12.233 5.051 6.434 1.00 0.00 C ATOM 260 C LYS A 18 12.290 6.429 7.100 1.00 0.00 C ATOM 261 O LYS A 18 13.379 6.991 7.178 1.00 0.00 O ATOM 262 CB LYS A 18 12.304 5.114 4.911 1.00 0.00 C ATOM 263 CG LYS A 18 11.453 6.212 4.249 1.00 0.00 C ATOM 264 CD LYS A 18 12.337 7.408 3.869 1.00 0.00 C ATOM 265 CE LYS A 18 13.209 6.991 2.690 1.00 0.00 C ATOM 266 NZ LYS A 18 14.475 7.746 2.659 1.00 0.00 N ATOM 0 H LYS A 18 10.193 4.619 6.390 1.00 0.00 H new ATOM 0 HA LYS A 18 13.122 4.554 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.344 5.261 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.994 4.149 4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.962 5.816 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.666 6.534 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.722 8.268 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.956 7.708 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.422 5.924 2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.665 7.152 1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.044 7.437 1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.271 8.762 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.005 7.572 3.537 1.00 0.00 H new ATOM 280 N CYS A 19 11.157 6.984 7.555 1.00 0.00 N ATOM 281 CA CYS A 19 11.072 8.337 8.080 1.00 0.00 C ATOM 282 C CYS A 19 10.235 8.448 9.365 1.00 0.00 C ATOM 283 O CYS A 19 10.047 9.558 9.853 1.00 0.00 O ATOM 284 CB CYS A 19 10.576 9.265 6.963 1.00 0.00 C ATOM 285 SG CYS A 19 9.049 8.849 6.070 1.00 0.00 S ATOM 0 H CYS A 19 10.265 6.490 7.565 1.00 0.00 H new ATOM 0 HA CYS A 19 12.069 8.650 8.392 1.00 0.00 H new ATOM 0 HB2 CYS A 19 10.442 10.256 7.397 1.00 0.00 H new ATOM 0 HB3 CYS A 19 11.375 9.345 6.226 1.00 0.00 H new ATOM 0 HG CYS A 19 8.778 7.589 6.238 1.00 0.00 H new ATOM 290 N ASP A 20 9.756 7.321 9.911 1.00 0.00 N ATOM 291 CA ASP A 20 8.948 7.182 11.128 1.00 0.00 C ATOM 292 C ASP A 20 7.792 8.185 11.204 1.00 0.00 C ATOM 293 O ASP A 20 7.495 8.763 12.248 1.00 0.00 O ATOM 294 CB ASP A 20 9.835 7.146 12.384 1.00 0.00 C ATOM 295 CG ASP A 20 9.080 6.611 13.610 1.00 0.00 C ATOM 296 OD1 ASP A 20 8.215 5.723 13.420 1.00 0.00 O ATOM 297 OD2 ASP A 20 9.423 7.049 14.731 1.00 0.00 O ATOM 0 H ASP A 20 9.938 6.415 9.479 1.00 0.00 H new ATOM 0 HA ASP A 20 8.450 6.213 11.079 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.707 6.520 12.194 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.204 8.150 12.596 1.00 0.00 H new ATOM 302 N GLY A 21 7.119 8.388 10.066 1.00 0.00 N ATOM 303 CA GLY A 21 5.895 9.172 10.022 1.00 0.00 C ATOM 304 C GLY A 21 4.704 8.237 10.107 1.00 0.00 C ATOM 305 O GLY A 21 4.747 7.123 9.589 1.00 0.00 O ATOM 0 H GLY A 21 7.409 8.015 9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.874 9.884 10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.853 9.752 9.100 1.00 0.00 H new ATOM 309 N ARG A 22 3.617 8.719 10.707 1.00 0.00 N ATOM 310 CA ARG A 22 2.320 8.048 10.690 1.00 0.00 C ATOM 311 C ARG A 22 1.839 8.021 9.246 1.00 0.00 C ATOM 312 O ARG A 22 1.799 9.073 8.607 1.00 0.00 O ATOM 313 CB ARG A 22 1.353 8.802 11.624 1.00 0.00 C ATOM 314 CG ARG A 22 -0.113 8.322 11.622 1.00 0.00 C ATOM 315 CD ARG A 22 -0.942 8.895 10.458 1.00 0.00 C ATOM 316 NE ARG A 22 -2.390 8.804 10.702 1.00 0.00 N ATOM 317 CZ ARG A 22 -3.345 9.339 9.928 1.00 0.00 C ATOM 318 NH1 ARG A 22 -3.023 10.010 8.820 1.00 0.00 N ATOM 319 NH2 ARG A 22 -4.628 9.199 10.263 1.00 0.00 N ATOM 0 H ARG A 22 3.613 9.598 11.225 1.00 0.00 H new ATOM 0 HA ARG A 22 2.381 7.023 11.055 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.735 8.730 12.642 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.368 9.857 11.352 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.131 7.233 11.570 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.581 8.604 12.565 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.668 9.938 10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.696 8.358 9.542 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.693 8.291 11.530 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.044 10.119 8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.756 10.414 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.882 8.686 11.107 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.356 9.605 9.675 1.00 0.00 H new ATOM 333 N ILE A 23 1.399 6.858 8.759 1.00 0.00 N ATOM 334 CA ILE A 23 0.746 6.757 7.466 1.00 0.00 C ATOM 335 C ILE A 23 -0.577 6.028 7.662 1.00 0.00 C ATOM 336 O ILE A 23 -0.596 4.870 8.067 1.00 0.00 O ATOM 337 CB ILE A 23 1.590 6.022 6.403 1.00 0.00 C ATOM 338 CG1 ILE A 23 3.115 6.244 6.416 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.998 6.485 5.051 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.813 5.222 5.500 1.00 0.00 C ATOM 0 H ILE A 23 1.488 5.969 9.252 1.00 0.00 H new ATOM 0 HA ILE A 23 0.600 7.769 7.088 1.00 0.00 H new ATOM 0 HB ILE A 23 1.520 4.954 6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.345 7.256 6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.494 6.149 7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.541 6.009 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.054 6.205 4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.090 7.568 4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.890 5.392 5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.598 4.213 5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.446 5.337 4.480 1.00 0.00 H new ATOM 352 N GLU A 24 -1.691 6.677 7.335 1.00 0.00 N ATOM 353 CA GLU A 24 -2.912 5.942 7.071 1.00 0.00 C ATOM 354 C GLU A 24 -2.798 5.351 5.663 1.00 0.00 C ATOM 355 O GLU A 24 -2.752 6.094 4.681 1.00 0.00 O ATOM 356 CB GLU A 24 -4.114 6.857 7.286 1.00 0.00 C ATOM 357 CG GLU A 24 -5.418 6.106 7.023 1.00 0.00 C ATOM 358 CD GLU A 24 -5.943 6.373 5.617 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.537 7.456 5.421 1.00 0.00 O ATOM 360 OE2 GLU A 24 -5.852 5.467 4.764 1.00 0.00 O ATOM 0 H GLU A 24 -1.769 7.690 7.249 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.061 5.110 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.108 7.239 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.045 7.719 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.256 5.036 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.167 6.408 7.755 1.00 0.00 H new ATOM 367 N LEU A 25 -2.656 4.024 5.582 1.00 0.00 N ATOM 368 CA LEU A 25 -2.534 3.293 4.333 1.00 0.00 C ATOM 369 C LEU A 25 -3.922 2.940 3.832 1.00 0.00 C ATOM 370 O LEU A 25 -4.472 1.903 4.217 1.00 0.00 O ATOM 371 CB LEU A 25 -1.720 1.995 4.484 1.00 0.00 C ATOM 372 CG LEU A 25 -0.370 2.115 5.190 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.317 0.746 5.179 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.494 3.148 4.481 1.00 0.00 C ATOM 0 H LEU A 25 -2.623 3.423 6.405 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.006 3.936 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.327 1.273 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.550 1.582 3.490 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.516 2.439 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.282 0.819 5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.308 0.021 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.467 0.422 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.455 3.229 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.655 2.841 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.008 4.115 4.498 1.00 0.00 H new ATOM 386 N THR A 26 -4.489 3.769 2.961 1.00 0.00 N ATOM 387 CA THR A 26 -5.654 3.333 2.232 1.00 0.00 C ATOM 388 C THR A 26 -5.146 2.353 1.171 1.00 0.00 C ATOM 389 O THR A 26 -4.377 2.728 0.288 1.00 0.00 O ATOM 390 CB THR A 26 -6.466 4.474 1.624 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.731 5.545 2.513 1.00 0.00 O ATOM 392 CG2 THR A 26 -7.805 3.857 1.178 1.00 0.00 C ATOM 0 H THR A 26 -4.167 4.714 2.753 1.00 0.00 H new ATOM 0 HA THR A 26 -6.360 2.857 2.912 1.00 0.00 H new ATOM 0 HB THR A 26 -5.886 4.908 0.810 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.297 5.371 3.374 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.431 4.630 0.733 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.618 3.074 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.314 3.430 2.042 1.00 0.00 H new ATOM 400 N VAL A 27 -5.551 1.092 1.278 1.00 0.00 N ATOM 401 CA VAL A 27 -5.351 0.053 0.268 1.00 0.00 C ATOM 402 C VAL A 27 -6.766 -0.489 0.020 1.00 0.00 C ATOM 403 O VAL A 27 -7.575 -0.583 0.950 1.00 0.00 O ATOM 404 CB VAL A 27 -4.283 -0.990 0.750 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.042 -0.281 1.323 1.00 0.00 C ATOM 406 CG2 VAL A 27 -4.822 -1.853 1.906 1.00 0.00 C ATOM 0 H VAL A 27 -6.047 0.750 2.101 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.926 0.399 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.042 -1.595 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.316 -1.026 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.595 0.348 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.335 0.337 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.057 -2.565 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.083 -1.212 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.708 -2.394 1.574 1.00 0.00 H new ATOM 416 N GLU A 28 -7.138 -0.740 -1.235 1.00 0.00 N ATOM 417 CA GLU A 28 -8.528 -1.009 -1.566 1.00 0.00 C ATOM 418 C GLU A 28 -8.602 -2.533 -1.695 1.00 0.00 C ATOM 419 O GLU A 28 -8.116 -3.112 -2.665 1.00 0.00 O ATOM 420 CB GLU A 28 -8.916 -0.173 -2.793 1.00 0.00 C ATOM 421 CG GLU A 28 -10.394 0.232 -2.836 1.00 0.00 C ATOM 422 CD GLU A 28 -10.894 0.596 -4.238 1.00 0.00 C ATOM 423 OE1 GLU A 28 -10.561 -0.148 -5.192 1.00 0.00 O ATOM 424 OE2 GLU A 28 -11.611 1.612 -4.348 1.00 0.00 O ATOM 0 H GLU A 28 -6.499 -0.762 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.268 -0.709 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.303 0.728 -2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.680 -0.739 -3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.997 -0.588 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.547 1.084 -2.173 1.00 0.00 H new ATOM 431 N SER A 29 -9.016 -3.215 -0.623 1.00 0.00 N ATOM 432 CA SER A 29 -8.727 -4.615 -0.421 1.00 0.00 C ATOM 433 C SER A 29 -9.777 -5.306 0.440 1.00 0.00 C ATOM 434 O SER A 29 -10.102 -4.822 1.521 1.00 0.00 O ATOM 435 CB SER A 29 -7.409 -4.654 0.335 1.00 0.00 C ATOM 436 OG SER A 29 -6.386 -3.929 -0.321 1.00 0.00 O ATOM 0 H SER A 29 -9.565 -2.796 0.128 1.00 0.00 H new ATOM 0 HA SER A 29 -8.704 -5.127 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.555 -4.246 1.335 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.094 -5.690 0.457 1.00 0.00 H new ATOM 0 HG SER A 29 -5.526 -4.111 0.113 1.00 0.00 H new ATOM 442 N SER A 30 -10.254 -6.473 0.007 1.00 0.00 N ATOM 443 CA SER A 30 -11.203 -7.291 0.766 1.00 0.00 C ATOM 444 C SER A 30 -10.581 -7.663 2.105 1.00 0.00 C ATOM 445 O SER A 30 -9.387 -7.940 2.155 1.00 0.00 O ATOM 446 CB SER A 30 -11.525 -8.573 -0.003 1.00 0.00 C ATOM 447 OG SER A 30 -12.053 -8.253 -1.277 1.00 0.00 O ATOM 0 H SER A 30 -9.990 -6.882 -0.889 1.00 0.00 H new ATOM 0 HA SER A 30 -12.120 -6.722 0.920 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.624 -9.176 -0.115 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.243 -9.173 0.557 1.00 0.00 H new ATOM 0 HG SER A 30 -12.255 -9.079 -1.764 1.00 0.00 H new ATOM 453 N ALA A 31 -11.371 -7.706 3.182 1.00 0.00 N ATOM 454 CA ALA A 31 -10.841 -7.693 4.543 1.00 0.00 C ATOM 455 C ALA A 31 -9.784 -8.762 4.833 1.00 0.00 C ATOM 456 O ALA A 31 -8.840 -8.474 5.567 1.00 0.00 O ATOM 457 CB ALA A 31 -11.991 -7.823 5.543 1.00 0.00 C ATOM 0 H ALA A 31 -12.389 -7.750 3.133 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.329 -6.737 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.594 -7.813 6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.680 -6.988 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.520 -8.760 5.370 1.00 0.00 H new ATOM 463 N GLU A 32 -9.902 -9.967 4.258 1.00 0.00 N ATOM 464 CA GLU A 32 -8.991 -11.054 4.582 1.00 0.00 C ATOM 465 C GLU A 32 -7.887 -11.263 3.540 1.00 0.00 C ATOM 466 O GLU A 32 -6.828 -11.828 3.828 1.00 0.00 O ATOM 467 CB GLU A 32 -9.751 -12.322 4.984 1.00 0.00 C ATOM 468 CG GLU A 32 -9.035 -12.903 6.217 1.00 0.00 C ATOM 469 CD GLU A 32 -9.663 -14.125 6.882 1.00 0.00 C ATOM 470 OE1 GLU A 32 -10.532 -14.777 6.265 1.00 0.00 O ATOM 471 OE2 GLU A 32 -9.231 -14.381 8.034 1.00 0.00 O ATOM 0 H GLU A 32 -10.618 -10.205 3.571 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.434 -10.753 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.791 -12.092 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.758 -13.043 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.018 -13.164 5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.959 -12.114 6.965 1.00 0.00 H new ATOM 478 N ASP A 33 -8.078 -10.685 2.359 1.00 0.00 N ATOM 479 CA ASP A 33 -7.022 -10.415 1.406 1.00 0.00 C ATOM 480 C ASP A 33 -6.114 -9.311 1.993 1.00 0.00 C ATOM 481 O ASP A 33 -4.889 -9.439 2.031 1.00 0.00 O ATOM 482 CB ASP A 33 -7.704 -10.057 0.073 1.00 0.00 C ATOM 483 CG ASP A 33 -6.793 -10.183 -1.144 1.00 0.00 C ATOM 484 OD1 ASP A 33 -5.598 -9.862 -1.003 1.00 0.00 O ATOM 485 OD2 ASP A 33 -7.322 -10.543 -2.227 1.00 0.00 O ATOM 0 H ASP A 33 -8.998 -10.386 2.035 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.368 -11.265 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.570 -10.704 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.077 -9.034 0.131 1.00 0.00 H new ATOM 490 N LEU A 34 -6.727 -8.293 2.622 1.00 0.00 N ATOM 491 CA LEU A 34 -6.046 -7.242 3.379 1.00 0.00 C ATOM 492 C LEU A 34 -5.291 -7.839 4.554 1.00 0.00 C ATOM 493 O LEU A 34 -4.142 -7.500 4.798 1.00 0.00 O ATOM 494 CB LEU A 34 -7.050 -6.167 3.824 1.00 0.00 C ATOM 495 CG LEU A 34 -6.465 -5.103 4.780 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.171 -3.769 4.506 1.00 0.00 C ATOM 497 CD2 LEU A 34 -6.671 -5.437 6.268 1.00 0.00 C ATOM 0 H LEU A 34 -7.741 -8.181 2.614 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.313 -6.756 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.443 -5.666 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.892 -6.655 4.315 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.392 -5.063 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.772 -3.003 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.002 -3.474 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.241 -3.881 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.236 -4.648 6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.738 -5.515 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.186 -6.385 6.499 1.00 0.00 H new ATOM 509 N ARG A 35 -5.947 -8.741 5.272 1.00 0.00 N ATOM 510 CA ARG A 35 -5.380 -9.502 6.384 1.00 0.00 C ATOM 511 C ARG A 35 -4.156 -10.247 5.891 1.00 0.00 C ATOM 512 O ARG A 35 -3.120 -10.174 6.537 1.00 0.00 O ATOM 513 CB ARG A 35 -6.382 -10.493 6.990 1.00 0.00 C ATOM 514 CG ARG A 35 -5.876 -11.112 8.301 1.00 0.00 C ATOM 515 CD ARG A 35 -6.787 -12.242 8.797 1.00 0.00 C ATOM 516 NE ARG A 35 -6.228 -12.855 10.009 1.00 0.00 N ATOM 517 CZ ARG A 35 -6.685 -13.945 10.642 1.00 0.00 C ATOM 518 NH1 ARG A 35 -7.748 -14.628 10.213 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.050 -14.358 11.740 1.00 0.00 N ATOM 0 H ARG A 35 -6.924 -8.973 5.092 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.114 -8.798 7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.327 -9.982 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.583 -11.287 6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.868 -11.499 8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.811 -10.338 9.065 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.782 -11.850 9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.898 -12.996 8.018 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.406 -12.404 10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.244 -14.325 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.064 -15.453 10.723 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.236 -13.847 12.081 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.379 -15.185 12.239 1.00 0.00 H new ATOM 533 N THR A 36 -4.267 -10.955 4.772 1.00 0.00 N ATOM 534 CA THR A 36 -3.154 -11.681 4.168 1.00 0.00 C ATOM 535 C THR A 36 -1.990 -10.714 3.885 1.00 0.00 C ATOM 536 O THR A 36 -0.867 -10.930 4.364 1.00 0.00 O ATOM 537 CB THR A 36 -3.650 -12.441 2.922 1.00 0.00 C ATOM 538 OG1 THR A 36 -4.747 -13.271 3.266 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.555 -13.338 2.336 1.00 0.00 C ATOM 0 H THR A 36 -5.141 -11.042 4.253 1.00 0.00 H new ATOM 0 HA THR A 36 -2.764 -12.432 4.855 1.00 0.00 H new ATOM 0 HB THR A 36 -3.940 -11.693 2.184 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.578 -12.754 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.941 -13.858 1.459 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.699 -12.727 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.244 -14.068 3.083 1.00 0.00 H new ATOM 547 N LEU A 37 -2.262 -9.601 3.189 1.00 0.00 N ATOM 548 CA LEU A 37 -1.238 -8.586 2.944 1.00 0.00 C ATOM 549 C LEU A 37 -0.692 -8.016 4.275 1.00 0.00 C ATOM 550 O LEU A 37 0.490 -7.704 4.396 1.00 0.00 O ATOM 551 CB LEU A 37 -1.726 -7.545 1.911 1.00 0.00 C ATOM 552 CG LEU A 37 -2.035 -6.118 2.420 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.784 -5.215 2.328 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.180 -5.500 1.602 1.00 0.00 C ATOM 0 H LEU A 37 -3.176 -9.385 2.790 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.368 -9.043 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.969 -7.466 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.628 -7.936 1.441 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.335 -6.190 3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.028 -4.217 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.015 -5.638 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.456 -5.153 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.389 -4.495 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.891 -5.450 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.073 -6.116 1.703 1.00 0.00 H new ATOM 566 N GLN A 38 -1.516 -7.947 5.325 1.00 0.00 N ATOM 567 CA GLN A 38 -1.110 -7.521 6.651 1.00 0.00 C ATOM 568 C GLN A 38 -0.254 -8.597 7.339 1.00 0.00 C ATOM 569 O GLN A 38 0.574 -8.250 8.174 1.00 0.00 O ATOM 570 CB GLN A 38 -2.364 -7.154 7.450 1.00 0.00 C ATOM 571 CG GLN A 38 -2.120 -6.669 8.878 1.00 0.00 C ATOM 572 CD GLN A 38 -3.471 -6.390 9.526 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.943 -7.153 10.359 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.154 -5.336 9.095 1.00 0.00 N ATOM 0 H GLN A 38 -2.504 -8.193 5.266 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.475 -6.637 6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.903 -6.376 6.909 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.016 -8.026 7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.574 -7.422 9.447 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.508 -5.767 8.873 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.744 -4.712 8.400 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.089 -5.151 9.458 1.00 0.00 H new ATOM 583 N GLN A 39 -0.387 -9.885 6.987 1.00 0.00 N ATOM 584 CA GLN A 39 0.523 -10.926 7.438 1.00 0.00 C ATOM 585 C GLN A 39 1.876 -10.766 6.739 1.00 0.00 C ATOM 586 O GLN A 39 2.909 -11.016 7.357 1.00 0.00 O ATOM 587 CB GLN A 39 -0.014 -12.350 7.233 1.00 0.00 C ATOM 588 CG GLN A 39 -1.429 -12.619 7.761 1.00 0.00 C ATOM 589 CD GLN A 39 -1.746 -11.982 9.116 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.387 -12.498 10.166 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.451 -10.858 9.109 1.00 0.00 N ATOM 0 H GLN A 39 -1.133 -10.225 6.380 1.00 0.00 H new ATOM 0 HA GLN A 39 0.633 -10.798 8.515 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.002 -12.573 6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.671 -13.048 7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.149 -12.255 7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.572 -13.697 7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.741 -10.443 8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.703 -10.409 9.989 1.00 0.00 H new ATOM 600 N LEU A 40 1.892 -10.287 5.485 1.00 0.00 N ATOM 601 CA LEU A 40 3.134 -9.775 4.895 1.00 0.00 C ATOM 602 C LEU A 40 3.739 -8.676 5.776 1.00 0.00 C ATOM 603 O LEU A 40 4.926 -8.756 6.111 1.00 0.00 O ATOM 604 CB LEU A 40 2.968 -9.323 3.440 1.00 0.00 C ATOM 605 CG LEU A 40 2.144 -10.216 2.496 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.893 -9.476 1.178 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.819 -11.556 2.197 1.00 0.00 C ATOM 0 H LEU A 40 1.077 -10.244 4.873 1.00 0.00 H new ATOM 0 HA LEU A 40 3.837 -10.607 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.511 -8.334 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.963 -9.211 3.010 1.00 0.00 H new ATOM 0 HG LEU A 40 1.206 -10.432 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.309 -10.110 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.344 -8.555 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.847 -9.236 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.188 -12.139 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.785 -11.379 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.965 -12.105 3.127 1.00 0.00 H new ATOM 619 N PHE A 41 2.943 -7.671 6.180 1.00 0.00 N ATOM 620 CA PHE A 41 3.414 -6.603 7.079 1.00 0.00 C ATOM 621 C PHE A 41 3.938 -7.175 8.401 1.00 0.00 C ATOM 622 O PHE A 41 5.002 -6.782 8.871 1.00 0.00 O ATOM 623 CB PHE A 41 2.352 -5.511 7.288 1.00 0.00 C ATOM 624 CG PHE A 41 2.318 -4.429 6.215 1.00 0.00 C ATOM 625 CD1 PHE A 41 2.138 -4.752 4.855 1.00 0.00 C ATOM 626 CD2 PHE A 41 2.489 -3.078 6.578 1.00 0.00 C ATOM 627 CE1 PHE A 41 2.150 -3.745 3.872 1.00 0.00 C ATOM 628 CE2 PHE A 41 2.490 -2.070 5.598 1.00 0.00 C ATOM 629 CZ PHE A 41 2.327 -2.403 4.243 1.00 0.00 C ATOM 0 H PHE A 41 1.968 -7.576 5.897 1.00 0.00 H new ATOM 0 HA PHE A 41 4.257 -6.114 6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.371 -5.984 7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.525 -5.037 8.254 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.990 -5.782 4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.620 -2.815 7.617 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.023 -4.005 2.831 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.616 -1.037 5.888 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.338 -1.629 3.490 1.00 0.00 H new ATOM 639 N LEU A 42 3.224 -8.147 8.968 1.00 0.00 N ATOM 640 CA LEU A 42 3.619 -8.882 10.161 1.00 0.00 C ATOM 641 C LEU A 42 4.937 -9.644 9.958 1.00 0.00 C ATOM 642 O LEU A 42 5.673 -9.811 10.927 1.00 0.00 O ATOM 643 CB LEU A 42 2.444 -9.796 10.543 1.00 0.00 C ATOM 644 CG LEU A 42 2.599 -10.630 11.828 1.00 0.00 C ATOM 645 CD1 LEU A 42 1.219 -10.806 12.481 1.00 0.00 C ATOM 646 CD2 LEU A 42 3.164 -12.028 11.531 1.00 0.00 C ATOM 0 H LEU A 42 2.325 -8.452 8.594 1.00 0.00 H new ATOM 0 HA LEU A 42 3.827 -8.197 10.983 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.552 -9.177 10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.263 -10.480 9.714 1.00 0.00 H new ATOM 0 HG LEU A 42 3.289 -10.103 12.487 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.320 -11.396 13.392 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.805 -9.828 12.726 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.552 -11.319 11.789 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.259 -12.587 12.462 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.490 -12.557 10.857 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.144 -11.933 11.063 1.00 0.00 H new ATOM 658 N SER A 43 5.246 -10.096 8.732 1.00 0.00 N ATOM 659 CA SER A 43 6.511 -10.738 8.402 1.00 0.00 C ATOM 660 C SER A 43 7.654 -9.710 8.417 1.00 0.00 C ATOM 661 O SER A 43 8.499 -9.756 9.311 1.00 0.00 O ATOM 662 CB SER A 43 6.381 -11.485 7.066 1.00 0.00 C ATOM 663 OG SER A 43 7.478 -12.350 6.862 1.00 0.00 O ATOM 0 H SER A 43 4.610 -10.021 7.938 1.00 0.00 H new ATOM 0 HA SER A 43 6.761 -11.482 9.158 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.454 -12.058 7.054 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.322 -10.767 6.248 1.00 0.00 H new ATOM 0 HG SER A 43 7.373 -12.816 6.006 1.00 0.00 H new ATOM 669 N THR A 44 7.693 -8.788 7.442 1.00 0.00 N ATOM 670 CA THR A 44 8.703 -7.731 7.341 1.00 0.00 C ATOM 671 C THR A 44 8.174 -6.407 6.784 1.00 0.00 C ATOM 672 O THR A 44 8.875 -5.397 6.848 1.00 0.00 O ATOM 673 CB THR A 44 9.919 -8.160 6.479 1.00 0.00 C ATOM 674 OG1 THR A 44 9.609 -8.292 5.103 1.00 0.00 O ATOM 675 CG2 THR A 44 10.541 -9.483 6.921 1.00 0.00 C ATOM 0 H THR A 44 7.007 -8.759 6.688 1.00 0.00 H new ATOM 0 HA THR A 44 9.008 -7.569 8.375 1.00 0.00 H new ATOM 0 HB THR A 44 10.629 -7.346 6.629 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.291 -7.834 4.569 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.386 -9.722 6.275 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.885 -9.397 7.952 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.796 -10.276 6.853 1.00 0.00 H new ATOM 683 N LEU A 45 6.985 -6.423 6.181 1.00 0.00 N ATOM 684 CA LEU A 45 6.583 -5.389 5.238 1.00 0.00 C ATOM 685 C LEU A 45 6.170 -4.093 5.922 1.00 0.00 C ATOM 686 O LEU A 45 5.562 -4.089 6.992 1.00 0.00 O ATOM 687 CB LEU A 45 5.470 -5.930 4.318 1.00 0.00 C ATOM 688 CG LEU A 45 6.014 -6.449 2.998 1.00 0.00 C ATOM 689 CD1 LEU A 45 6.758 -7.774 3.225 1.00 0.00 C ATOM 690 CD2 LEU A 45 4.884 -6.504 1.965 1.00 0.00 C ATOM 0 H LEU A 45 6.283 -7.147 6.333 1.00 0.00 H new ATOM 0 HA LEU A 45 7.452 -5.135 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.937 -6.732 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.746 -5.139 4.124 1.00 0.00 H new ATOM 0 HG LEU A 45 6.759 -5.771 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.146 -8.141 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.585 -7.613 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.072 -8.509 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.275 -6.876 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.098 -7.170 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.474 -5.504 1.820 1.00 0.00 H new ATOM 702 N SER A 46 6.449 -2.984 5.243 1.00 0.00 N ATOM 703 CA SER A 46 6.021 -1.660 5.619 1.00 0.00 C ATOM 704 C SER A 46 5.742 -0.843 4.356 1.00 0.00 C ATOM 705 O SER A 46 5.916 -1.313 3.228 1.00 0.00 O ATOM 706 CB SER A 46 7.067 -1.055 6.558 1.00 0.00 C ATOM 707 OG SER A 46 8.394 -1.161 6.092 1.00 0.00 O ATOM 0 H SER A 46 7.001 -2.994 4.385 1.00 0.00 H new ATOM 0 HA SER A 46 5.083 -1.673 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.832 -0.002 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.995 -1.546 7.529 1.00 0.00 H new ATOM 0 HG SER A 46 8.727 -0.272 5.848 1.00 0.00 H new ATOM 713 N PHE A 47 5.268 0.388 4.532 1.00 0.00 N ATOM 714 CA PHE A 47 4.927 1.274 3.442 1.00 0.00 C ATOM 715 C PHE A 47 5.827 2.483 3.546 1.00 0.00 C ATOM 716 O PHE A 47 6.266 2.852 4.637 1.00 0.00 O ATOM 717 CB PHE A 47 3.466 1.700 3.567 1.00 0.00 C ATOM 718 CG PHE A 47 2.833 2.154 2.262 1.00 0.00 C ATOM 719 CD1 PHE A 47 2.939 3.495 1.847 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.121 1.241 1.464 1.00 0.00 C ATOM 721 CE1 PHE A 47 2.397 3.909 0.619 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.561 1.658 0.242 1.00 0.00 C ATOM 723 CZ PHE A 47 1.714 2.987 -0.190 1.00 0.00 C ATOM 0 H PHE A 47 5.111 0.796 5.453 1.00 0.00 H new ATOM 0 HA PHE A 47 5.060 0.778 2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.889 0.866 3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.397 2.511 4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.442 4.212 2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.004 0.218 1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.505 4.934 0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.012 0.954 -0.366 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.307 3.298 -1.141 1.00 0.00 H new ATOM 733 N VAL A 48 6.015 3.141 2.411 1.00 0.00 N ATOM 734 CA VAL A 48 6.718 4.385 2.304 1.00 0.00 C ATOM 735 C VAL A 48 5.815 5.386 1.581 1.00 0.00 C ATOM 736 O VAL A 48 5.575 5.303 0.379 1.00 0.00 O ATOM 737 CB VAL A 48 8.140 4.156 1.762 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.101 3.706 2.864 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.235 3.226 0.604 1.00 0.00 C ATOM 0 H VAL A 48 5.665 2.801 1.515 1.00 0.00 H new ATOM 0 HA VAL A 48 6.920 4.851 3.268 1.00 0.00 H new ATOM 0 HB VAL A 48 8.435 5.136 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.094 3.555 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.149 4.471 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.745 2.771 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.277 3.132 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.852 2.247 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.646 3.617 -0.226 1.00 0.00 H new ATOM 749 N CYS A 49 5.226 6.275 2.388 1.00 0.00 N ATOM 750 CA CYS A 49 4.241 7.296 2.029 1.00 0.00 C ATOM 751 C CYS A 49 4.694 8.091 0.795 1.00 0.00 C ATOM 752 O CYS A 49 5.893 8.316 0.651 1.00 0.00 O ATOM 753 CB CYS A 49 4.093 8.221 3.250 1.00 0.00 C ATOM 754 SG CYS A 49 5.626 8.595 4.178 1.00 0.00 S ATOM 0 H CYS A 49 5.443 6.300 3.384 1.00 0.00 H new ATOM 0 HA CYS A 49 3.287 6.836 1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.658 9.163 2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.379 7.767 3.938 1.00 0.00 H new ATOM 0 HG CYS A 49 6.183 7.485 4.561 1.00 0.00 H new ATOM 759 N PRO A 50 3.783 8.602 -0.061 1.00 0.00 N ATOM 760 CA PRO A 50 4.160 9.251 -1.323 1.00 0.00 C ATOM 761 C PRO A 50 5.116 10.447 -1.158 1.00 0.00 C ATOM 762 O PRO A 50 5.943 10.705 -2.039 1.00 0.00 O ATOM 763 CB PRO A 50 2.846 9.634 -2.014 1.00 0.00 C ATOM 764 CG PRO A 50 1.804 9.591 -0.896 1.00 0.00 C ATOM 765 CD PRO A 50 2.331 8.492 0.022 1.00 0.00 C ATOM 0 HA PRO A 50 4.743 8.560 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.907 10.625 -2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.600 8.936 -2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.728 10.547 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.811 9.356 -1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.982 8.630 1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.990 7.509 -0.302 1.00 0.00 H new ATOM 773 N TRP A 51 5.065 11.125 -0.005 1.00 0.00 N ATOM 774 CA TRP A 51 6.069 12.088 0.430 1.00 0.00 C ATOM 775 C TRP A 51 7.468 11.460 0.397 1.00 0.00 C ATOM 776 O TRP A 51 8.345 11.940 -0.321 1.00 0.00 O ATOM 777 CB TRP A 51 5.711 12.605 1.838 1.00 0.00 C ATOM 778 CG TRP A 51 6.853 13.197 2.612 1.00 0.00 C ATOM 779 CD1 TRP A 51 7.767 14.058 2.113 1.00 0.00 C ATOM 780 CD2 TRP A 51 7.293 12.903 3.976 1.00 0.00 C ATOM 781 NE1 TRP A 51 8.766 14.269 3.038 1.00 0.00 N ATOM 782 CE2 TRP A 51 8.523 13.587 4.212 1.00 0.00 C ATOM 783 CE3 TRP A 51 6.793 12.104 5.029 1.00 0.00 C ATOM 784 CZ2 TRP A 51 9.228 13.473 5.420 1.00 0.00 C ATOM 785 CZ3 TRP A 51 7.483 11.996 6.251 1.00 0.00 C ATOM 786 CH2 TRP A 51 8.699 12.674 6.448 1.00 0.00 C ATOM 0 H TRP A 51 4.303 11.012 0.664 1.00 0.00 H new ATOM 0 HA TRP A 51 6.079 12.936 -0.255 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.929 13.358 1.743 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.291 11.780 2.414 1.00 0.00 H new ATOM 0 HD1 TRP A 51 7.721 14.513 1.135 1.00 0.00 H new ATOM 0 HE1 TRP A 51 9.584 14.857 2.875 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.866 11.567 4.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.165 13.992 5.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.075 11.387 7.044 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.225 12.581 7.387 1.00 0.00 H new ATOM 797 N CYS A 52 7.685 10.393 1.170 1.00 0.00 N ATOM 798 CA CYS A 52 8.981 9.750 1.319 1.00 0.00 C ATOM 799 C CYS A 52 9.323 8.887 0.112 1.00 0.00 C ATOM 800 O CYS A 52 10.494 8.579 -0.126 1.00 0.00 O ATOM 801 CB CYS A 52 8.959 8.924 2.597 1.00 0.00 C ATOM 802 SG CYS A 52 8.623 7.204 2.533 1.00 0.00 S ATOM 0 H CYS A 52 6.948 9.948 1.717 1.00 0.00 H new ATOM 0 HA CYS A 52 9.758 10.512 1.382 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.930 9.045 3.076 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.218 9.373 3.259 1.00 0.00 H new ATOM 0 HG CYS A 52 7.804 6.886 3.491 1.00 0.00 H new ATOM 807 N ALA A 53 8.308 8.512 -0.671 1.00 0.00 N ATOM 808 CA ALA A 53 8.521 7.901 -1.956 1.00 0.00 C ATOM 809 C ALA A 53 9.299 8.882 -2.841 1.00 0.00 C ATOM 810 O ALA A 53 10.340 8.531 -3.398 1.00 0.00 O ATOM 811 CB ALA A 53 7.199 7.498 -2.607 1.00 0.00 C ATOM 0 H ALA A 53 7.326 8.629 -0.421 1.00 0.00 H new ATOM 0 HA ALA A 53 9.099 6.986 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.396 7.040 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.681 6.784 -1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.576 8.382 -2.743 1.00 0.00 H new ATOM 817 N THR A 54 8.787 10.118 -2.902 1.00 0.00 N ATOM 818 CA THR A 54 9.296 11.224 -3.700 1.00 0.00 C ATOM 819 C THR A 54 10.618 11.766 -3.138 1.00 0.00 C ATOM 820 O THR A 54 11.559 11.971 -3.899 1.00 0.00 O ATOM 821 CB THR A 54 8.216 12.326 -3.764 1.00 0.00 C ATOM 822 OG1 THR A 54 6.962 11.784 -4.133 1.00 0.00 O ATOM 823 CG2 THR A 54 8.566 13.418 -4.780 1.00 0.00 C ATOM 0 H THR A 54 7.961 10.380 -2.364 1.00 0.00 H new ATOM 0 HA THR A 54 9.513 10.870 -4.708 1.00 0.00 H new ATOM 0 HB THR A 54 8.169 12.760 -2.765 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.408 11.668 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.778 14.171 -4.790 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.511 13.885 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.658 12.976 -5.772 1.00 0.00 H new ATOM 831 N ASN A 55 10.694 12.028 -1.822 1.00 0.00 N ATOM 832 CA ASN A 55 11.903 12.570 -1.177 1.00 0.00 C ATOM 833 C ASN A 55 13.032 11.547 -1.193 1.00 0.00 C ATOM 834 O ASN A 55 14.191 11.919 -1.362 1.00 0.00 O ATOM 835 CB ASN A 55 11.630 12.982 0.284 1.00 0.00 C ATOM 836 CG ASN A 55 10.840 14.275 0.440 1.00 0.00 C ATOM 837 OD1 ASN A 55 10.943 14.967 1.447 1.00 0.00 O ATOM 838 ND2 ASN A 55 10.006 14.613 -0.531 1.00 0.00 N ATOM 0 H ASN A 55 9.920 11.870 -1.176 1.00 0.00 H new ATOM 0 HA ASN A 55 12.196 13.452 -1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.087 12.177 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.583 13.089 0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.440 15.457 -0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.929 14.029 -1.364 1.00 0.00 H new ATOM 940 N PRO B 7 16.914 -4.462 -0.166 1.00 0.00 N ATOM 941 CA PRO B 7 16.102 -5.402 -0.932 1.00 0.00 C ATOM 942 C PRO B 7 14.641 -5.347 -0.442 1.00 0.00 C ATOM 943 O PRO B 7 13.995 -6.381 -0.255 1.00 0.00 O ATOM 944 CB PRO B 7 16.780 -6.751 -0.666 1.00 0.00 C ATOM 945 CG PRO B 7 17.195 -6.631 0.802 1.00 0.00 C ATOM 946 CD PRO B 7 17.557 -5.151 0.942 1.00 0.00 C ATOM 0 HA PRO B 7 16.048 -5.192 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO B 7 16.099 -7.586 -0.828 1.00 0.00 H new ATOM 0 HB3 PRO B 7 17.639 -6.909 -1.319 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.384 -6.913 1.474 1.00 0.00 H new ATOM 0 HG3 PRO B 7 18.042 -7.277 1.035 1.00 0.00 H new ATOM 0 HD2 PRO B 7 17.212 -4.756 1.897 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.638 -5.011 0.911 1.00 0.00 H new ATOM 954 N GLN B 8 14.136 -4.149 -0.127 1.00 0.00 N ATOM 955 CA GLN B 8 12.882 -3.966 0.585 1.00 0.00 C ATOM 956 C GLN B 8 12.156 -2.734 0.041 1.00 0.00 C ATOM 957 O GLN B 8 11.141 -2.920 -0.615 1.00 0.00 O ATOM 958 CB GLN B 8 13.142 -3.979 2.107 1.00 0.00 C ATOM 959 CG GLN B 8 11.975 -4.547 2.941 1.00 0.00 C ATOM 960 CD GLN B 8 11.731 -6.068 2.877 1.00 0.00 C ATOM 961 OE1 GLN B 8 10.935 -6.601 3.651 1.00 0.00 O ATOM 962 NE2 GLN B 8 12.373 -6.818 1.987 1.00 0.00 N ATOM 0 H GLN B 8 14.599 -3.272 -0.366 1.00 0.00 H new ATOM 0 HA GLN B 8 12.195 -4.794 0.412 1.00 0.00 H new ATOM 0 HB2 GLN B 8 14.037 -4.568 2.307 1.00 0.00 H new ATOM 0 HB3 GLN B 8 13.349 -2.961 2.438 1.00 0.00 H new ATOM 0 HG2 GLN B 8 12.143 -4.277 3.983 1.00 0.00 H new ATOM 0 HG3 GLN B 8 11.060 -4.046 2.625 1.00 0.00 H new ATOM 0 HE21 GLN B 8 13.035 -6.388 1.341 1.00 0.00 H new ATOM 0 HE22 GLN B 8 12.204 -7.823 1.950 1.00 0.00 H new ATOM 971 N ARG B 9 12.621 -1.499 0.282 1.00 0.00 N ATOM 972 CA ARG B 9 12.008 -0.254 -0.214 1.00 0.00 C ATOM 973 C ARG B 9 11.809 -0.268 -1.744 1.00 0.00 C ATOM 974 O ARG B 9 12.685 0.171 -2.490 1.00 0.00 O ATOM 975 CB ARG B 9 12.834 0.938 0.313 1.00 0.00 C ATOM 976 CG ARG B 9 12.146 2.290 0.272 1.00 0.00 C ATOM 977 CD ARG B 9 12.103 2.947 -1.113 1.00 0.00 C ATOM 978 NE ARG B 9 11.682 4.361 -1.052 1.00 0.00 N ATOM 979 CZ ARG B 9 11.873 5.261 -2.029 1.00 0.00 C ATOM 980 NH1 ARG B 9 12.452 4.886 -3.168 1.00 0.00 N ATOM 981 NH2 ARG B 9 11.502 6.531 -1.869 1.00 0.00 N ATOM 0 H ARG B 9 13.457 -1.332 0.843 1.00 0.00 H new ATOM 0 HA ARG B 9 10.994 -0.154 0.173 1.00 0.00 H new ATOM 0 HB2 ARG B 9 13.121 0.729 1.344 1.00 0.00 H new ATOM 0 HB3 ARG B 9 13.754 1.002 -0.267 1.00 0.00 H new ATOM 0 HG2 ARG B 9 11.125 2.174 0.636 1.00 0.00 H new ATOM 0 HG3 ARG B 9 12.655 2.962 0.962 1.00 0.00 H new ATOM 0 HD2 ARG B 9 13.089 2.884 -1.573 1.00 0.00 H new ATOM 0 HD3 ARG B 9 11.416 2.394 -1.754 1.00 0.00 H new ATOM 0 HE ARG B 9 11.211 4.677 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG B 9 12.748 3.918 -3.295 1.00 0.00 H new ATOM 0 HH12 ARG B 9 12.599 5.566 -3.913 1.00 0.00 H new ATOM 0 HH21 ARG B 9 11.067 6.829 -0.996 1.00 0.00 H new ATOM 0 HH22 ARG B 9 11.653 7.205 -2.620 1.00 0.00 H new ATOM 995 N HIS B 10 10.647 -0.740 -2.212 1.00 0.00 N ATOM 996 CA HIS B 10 10.347 -1.061 -3.606 1.00 0.00 C ATOM 997 C HIS B 10 9.083 -0.335 -4.069 1.00 0.00 C ATOM 998 O HIS B 10 8.468 0.400 -3.299 1.00 0.00 O ATOM 999 CB HIS B 10 10.212 -2.583 -3.781 1.00 0.00 C ATOM 1000 CG HIS B 10 11.486 -3.372 -3.588 1.00 0.00 C ATOM 1001 ND1 HIS B 10 11.575 -4.694 -3.226 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.762 -2.908 -3.724 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.875 -5.023 -3.179 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.643 -3.965 -3.479 1.00 0.00 N ATOM 0 H HIS B 10 9.854 -0.916 -1.595 1.00 0.00 H new ATOM 0 HA HIS B 10 11.172 -0.718 -4.231 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.467 -2.949 -3.074 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.828 -2.784 -4.781 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.791 -5.316 -3.028 1.00 0.00 H new ATOM 0 HD2 HIS B 10 13.043 -1.897 -3.978 1.00 0.00 H new ATOM 0 HE1 HIS B 10 13.251 -6.005 -2.933 1.00 0.00 H new ATOM 1012 N LYS B 11 8.736 -0.484 -5.355 1.00 0.00 N ATOM 1013 CA LYS B 11 7.778 0.364 -6.053 1.00 0.00 C ATOM 1014 C LYS B 11 6.954 -0.471 -7.028 1.00 0.00 C ATOM 1015 O LYS B 11 7.446 -0.835 -8.095 1.00 0.00 O ATOM 1016 CB LYS B 11 8.507 1.506 -6.786 1.00 0.00 C ATOM 1017 CG LYS B 11 9.159 2.528 -5.836 1.00 0.00 C ATOM 1018 CD LYS B 11 10.686 2.407 -5.702 1.00 0.00 C ATOM 1019 CE LYS B 11 11.459 2.803 -6.970 1.00 0.00 C ATOM 1020 NZ LYS B 11 11.299 4.231 -7.326 1.00 0.00 N ATOM 0 H LYS B 11 9.127 -1.217 -5.947 1.00 0.00 H new ATOM 0 HA LYS B 11 7.101 0.809 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.275 1.081 -7.432 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.798 2.023 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.918 3.532 -6.186 1.00 0.00 H new ATOM 0 HG3 LYS B 11 8.713 2.419 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS B 11 11.019 3.035 -4.875 1.00 0.00 H new ATOM 0 HD3 LYS B 11 10.937 1.379 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS B 11 12.518 2.587 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS B 11 11.119 2.187 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 12.156 4.566 -7.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.479 4.342 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.149 4.790 -6.462 1.00 0.00 H new ATOM 1034 N ILE B 12 5.708 -0.775 -6.665 1.00 0.00 N ATOM 1035 CA ILE B 12 4.722 -1.358 -7.570 1.00 0.00 C ATOM 1036 C ILE B 12 3.983 -0.190 -8.227 1.00 0.00 C ATOM 1037 O ILE B 12 3.126 0.423 -7.605 1.00 0.00 O ATOM 1038 CB ILE B 12 3.737 -2.288 -6.822 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.458 -3.365 -5.993 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.759 -2.914 -7.838 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.511 -4.143 -5.072 1.00 0.00 C ATOM 0 H ILE B 12 5.352 -0.621 -5.722 1.00 0.00 H new ATOM 0 HA ILE B 12 5.214 -1.981 -8.317 1.00 0.00 H new ATOM 0 HB ILE B 12 3.177 -1.688 -6.105 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.955 -4.062 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE B 12 5.235 -2.894 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE B 12 2.063 -3.570 -7.316 1.00 0.00 H new ATOM 0 HG22 ILE B 12 2.204 -2.124 -8.343 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.319 -3.491 -8.574 1.00 0.00 H new ATOM 0 HD11 ILE B 12 4.077 -4.888 -4.513 1.00 0.00 H new ATOM 0 HD12 ILE B 12 3.033 -3.454 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.749 -4.641 -5.671 1.00 0.00 H new ATOM 1053 N LEU B 13 4.298 0.163 -9.470 1.00 0.00 N ATOM 1054 CA LEU B 13 3.521 1.144 -10.200 1.00 0.00 C ATOM 1055 C LEU B 13 2.148 0.559 -10.508 1.00 0.00 C ATOM 1056 O LEU B 13 2.027 -0.447 -11.204 1.00 0.00 O ATOM 1057 CB LEU B 13 4.263 1.632 -11.446 1.00 0.00 C ATOM 1058 CG LEU B 13 3.596 2.903 -12.017 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.679 3.814 -12.592 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.553 2.605 -13.102 1.00 0.00 C ATOM 0 H LEU B 13 5.089 -0.220 -9.988 1.00 0.00 H new ATOM 0 HA LEU B 13 3.377 2.033 -9.586 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.303 1.842 -11.197 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.269 0.847 -12.202 1.00 0.00 H new ATOM 0 HG LEU B 13 3.066 3.387 -11.196 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.219 4.715 -12.998 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.380 4.088 -11.804 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.212 3.290 -13.385 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.123 3.540 -13.460 1.00 0.00 H new ATOM 0 HD22 LEU B 13 3.030 2.084 -13.932 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.764 1.979 -12.686 1.00 0.00 H new ATOM 1072 N CYS B 14 1.129 1.218 -9.971 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.283 0.961 -10.175 1.00 0.00 C ATOM 1074 C CYS B 14 -0.940 2.259 -10.671 1.00 0.00 C ATOM 1075 O CYS B 14 -0.282 3.293 -10.835 1.00 0.00 O ATOM 1076 CB CYS B 14 -0.858 0.471 -8.833 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.517 -0.265 -8.964 1.00 0.00 S ATOM 0 H CYS B 14 1.284 2.002 -9.337 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.472 0.194 -10.926 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.178 -0.265 -8.405 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -0.898 1.310 -8.138 1.00 0.00 H new ATOM 0 HG CYS B 14 -3.408 0.680 -9.013 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.259 2.227 -10.860 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.084 3.425 -10.907 1.00 0.00 C ATOM 1085 C VAL B 15 -4.045 3.420 -9.718 1.00 0.00 C ATOM 1086 O VAL B 15 -4.290 2.375 -9.110 1.00 0.00 O ATOM 1087 CB VAL B 15 -3.818 3.566 -12.256 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -2.825 3.881 -13.382 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -4.650 2.324 -12.611 1.00 0.00 C ATOM 0 H VAL B 15 -2.784 1.362 -10.985 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.442 4.303 -10.830 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.515 4.397 -12.148 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.363 3.977 -14.325 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.310 4.816 -13.162 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.096 3.075 -13.460 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.144 2.479 -13.570 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -3.996 1.454 -12.676 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.401 2.156 -11.839 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.581 4.597 -9.390 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.649 4.750 -8.423 1.00 0.00 C ATOM 1101 C CYS B 16 -6.950 4.223 -9.023 1.00 0.00 C ATOM 1102 O CYS B 16 -7.329 4.639 -10.117 1.00 0.00 O ATOM 1103 CB CYS B 16 -5.831 6.225 -8.062 1.00 0.00 C ATOM 1104 SG CYS B 16 -6.928 6.252 -6.626 1.00 0.00 S ATOM 0 H CYS B 16 -4.275 5.479 -9.800 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.394 4.190 -7.524 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -4.873 6.692 -7.831 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.263 6.780 -8.894 1.00 0.00 H new ATOM 0 HG CYS B 16 -6.553 7.193 -5.811 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.671 3.396 -8.266 1.00 0.00 N ATOM 1110 CA CYS B 17 -8.915 2.758 -8.686 1.00 0.00 C ATOM 1111 C CYS B 17 -9.959 3.778 -9.160 1.00 0.00 C ATOM 1112 O CYS B 17 -10.678 3.517 -10.122 1.00 0.00 O ATOM 1113 CB CYS B 17 -9.457 1.931 -7.513 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.702 0.748 -8.084 1.00 0.00 S ATOM 0 H CYS B 17 -7.396 3.145 -7.316 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.707 2.112 -9.539 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.639 1.399 -7.028 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -9.894 2.594 -6.766 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.060 -0.016 -7.095 1.00 0.00 H new ATOM 1120 N LYS B 18 -10.032 4.946 -8.504 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.065 5.942 -8.759 1.00 0.00 C ATOM 1122 C LYS B 18 -10.553 7.182 -9.497 1.00 0.00 C ATOM 1123 O LYS B 18 -11.370 7.927 -10.031 1.00 0.00 O ATOM 1124 CB LYS B 18 -11.757 6.306 -7.437 1.00 0.00 C ATOM 1125 CG LYS B 18 -10.818 6.970 -6.417 1.00 0.00 C ATOM 1126 CD LYS B 18 -11.587 7.630 -5.266 1.00 0.00 C ATOM 1127 CE LYS B 18 -11.900 6.641 -4.144 1.00 0.00 C ATOM 1128 NZ LYS B 18 -12.402 7.364 -2.961 1.00 0.00 N ATOM 0 H LYS B 18 -9.369 5.221 -7.779 1.00 0.00 H new ATOM 0 HA LYS B 18 -11.792 5.496 -9.438 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.589 6.979 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.179 5.403 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.135 6.222 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.208 7.720 -6.921 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.001 8.458 -4.866 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.517 8.052 -5.647 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.643 5.919 -4.481 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -11.004 6.078 -3.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.564 6.690 -2.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -11.701 8.072 -2.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.295 7.840 -3.199 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.234 7.419 -9.537 1.00 0.00 N ATOM 1143 CA CYS B 19 -8.655 8.550 -10.243 1.00 0.00 C ATOM 1144 C CYS B 19 -8.060 8.143 -11.592 1.00 0.00 C ATOM 1145 O CYS B 19 -7.775 9.026 -12.396 1.00 0.00 O ATOM 1146 CB CYS B 19 -7.580 9.227 -9.406 1.00 0.00 C ATOM 1147 SG CYS B 19 -7.786 9.342 -7.609 1.00 0.00 S ATOM 0 H CYS B 19 -8.545 6.825 -9.077 1.00 0.00 H new ATOM 0 HA CYS B 19 -9.470 9.251 -10.423 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.642 8.704 -9.594 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.461 10.242 -9.786 1.00 0.00 H new ATOM 0 HG CYS B 19 -7.802 8.147 -7.097 1.00 0.00 H new ATOM 1152 N ASP B 20 -7.803 6.840 -11.804 1.00 0.00 N ATOM 1153 CA ASP B 20 -6.970 6.296 -12.882 1.00 0.00 C ATOM 1154 C ASP B 20 -5.606 7.009 -12.973 1.00 0.00 C ATOM 1155 O ASP B 20 -4.981 7.100 -14.027 1.00 0.00 O ATOM 1156 CB ASP B 20 -7.772 6.264 -14.189 1.00 0.00 C ATOM 1157 CG ASP B 20 -7.071 5.466 -15.296 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -6.505 4.398 -14.965 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -7.168 5.897 -16.467 1.00 0.00 O ATOM 0 H ASP B 20 -8.187 6.111 -11.203 1.00 0.00 H new ATOM 0 HA ASP B 20 -6.708 5.262 -12.658 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -8.752 5.828 -13.998 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -7.939 7.285 -14.533 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.135 7.541 -11.838 1.00 0.00 N ATOM 1165 CA GLY B 21 -3.907 8.320 -11.770 1.00 0.00 C ATOM 1166 C GLY B 21 -2.766 7.423 -11.337 1.00 0.00 C ATOM 1167 O GLY B 21 -2.955 6.535 -10.512 1.00 0.00 O ATOM 0 H GLY B 21 -5.604 7.438 -10.938 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -3.689 8.761 -12.743 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.024 9.144 -11.066 1.00 0.00 H new ATOM 1171 N ARG B 22 -1.581 7.690 -11.878 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.352 6.927 -11.691 1.00 0.00 C ATOM 1173 C ARG B 22 0.038 6.964 -10.218 1.00 0.00 C ATOM 1174 O ARG B 22 0.403 8.033 -9.728 1.00 0.00 O ATOM 1175 CB ARG B 22 0.713 7.546 -12.618 1.00 0.00 C ATOM 1176 CG ARG B 22 2.112 6.909 -12.585 1.00 0.00 C ATOM 1177 CD ARG B 22 3.072 7.561 -11.574 1.00 0.00 C ATOM 1178 NE ARG B 22 4.469 7.209 -11.881 1.00 0.00 N ATOM 1179 CZ ARG B 22 5.508 7.267 -11.038 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.431 7.878 -9.860 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.658 6.673 -11.339 1.00 0.00 N ATOM 0 H ARG B 22 -1.446 8.491 -12.494 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.467 5.875 -11.954 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.342 7.499 -13.642 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.814 8.601 -12.364 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.013 5.850 -12.346 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.552 6.971 -13.580 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.951 8.644 -11.597 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.823 7.233 -10.565 1.00 0.00 H new ATOM 0 HE ARG B 22 4.664 6.889 -12.830 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.559 8.323 -9.572 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.244 7.902 -9.244 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.756 6.167 -12.219 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.443 6.723 -10.690 1.00 0.00 H new ATOM 1195 N ILE B 23 0.003 5.816 -9.529 1.00 0.00 N ATOM 1196 CA ILE B 23 0.534 5.705 -8.179 1.00 0.00 C ATOM 1197 C ILE B 23 1.685 4.703 -8.210 1.00 0.00 C ATOM 1198 O ILE B 23 1.497 3.511 -8.438 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.496 5.298 -7.100 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -1.882 5.968 -7.182 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.165 5.652 -5.747 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -2.864 5.363 -6.164 1.00 0.00 C ATOM 0 H ILE B 23 -0.392 4.949 -9.894 1.00 0.00 H new ATOM 0 HA ILE B 23 0.861 6.702 -7.883 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.718 4.240 -7.241 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.781 7.038 -7.000 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.284 5.853 -8.189 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.510 5.390 -4.933 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.096 5.095 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.376 6.721 -5.714 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -3.830 5.860 -6.251 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -2.984 4.298 -6.363 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.474 5.502 -5.156 1.00 0.00 H new ATOM 1214 N GLU B 24 2.890 5.193 -7.945 1.00 0.00 N ATOM 1215 CA GLU B 24 4.045 4.369 -7.646 1.00 0.00 C ATOM 1216 C GLU B 24 3.897 3.860 -6.207 1.00 0.00 C ATOM 1217 O GLU B 24 4.248 4.562 -5.253 1.00 0.00 O ATOM 1218 CB GLU B 24 5.264 5.241 -7.932 1.00 0.00 C ATOM 1219 CG GLU B 24 6.618 4.555 -7.786 1.00 0.00 C ATOM 1220 CD GLU B 24 7.780 5.419 -8.312 1.00 0.00 C ATOM 1221 OE1 GLU B 24 7.534 6.538 -8.832 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.929 4.928 -8.250 1.00 0.00 O ATOM 0 H GLU B 24 3.091 6.193 -7.933 1.00 0.00 H new ATOM 0 HA GLU B 24 4.150 3.469 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU B 24 5.181 5.627 -8.948 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.239 6.100 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.791 4.321 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.601 3.608 -8.325 1.00 0.00 H new ATOM 1229 N LEU B 25 3.296 2.670 -6.043 1.00 0.00 N ATOM 1230 CA LEU B 25 2.980 2.106 -4.733 1.00 0.00 C ATOM 1231 C LEU B 25 4.294 1.715 -4.083 1.00 0.00 C ATOM 1232 O LEU B 25 4.875 0.669 -4.385 1.00 0.00 O ATOM 1233 CB LEU B 25 2.036 0.893 -4.780 1.00 0.00 C ATOM 1234 CG LEU B 25 0.743 1.046 -5.594 1.00 0.00 C ATOM 1235 CD1 LEU B 25 -0.061 -0.255 -5.512 1.00 0.00 C ATOM 1236 CD2 LEU B 25 -0.080 2.212 -5.064 1.00 0.00 C ATOM 0 H LEU B 25 3.017 2.075 -6.823 1.00 0.00 H new ATOM 0 HA LEU B 25 2.443 2.863 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.592 0.047 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.763 0.636 -3.756 1.00 0.00 H new ATOM 0 HG LEU B 25 0.993 1.251 -6.635 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.980 -0.152 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.531 -1.075 -5.918 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.307 -0.466 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.994 2.309 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.336 2.032 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.500 3.132 -5.142 1.00 0.00 H new ATOM 1248 N THR B 26 4.792 2.609 -3.241 1.00 0.00 N ATOM 1249 CA THR B 26 6.122 2.514 -2.693 1.00 0.00 C ATOM 1250 C THR B 26 5.967 1.711 -1.388 1.00 0.00 C ATOM 1251 O THR B 26 5.476 2.209 -0.372 1.00 0.00 O ATOM 1252 CB THR B 26 6.745 3.924 -2.673 1.00 0.00 C ATOM 1253 OG1 THR B 26 6.538 4.575 -3.923 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.275 3.929 -2.500 1.00 0.00 C ATOM 0 H THR B 26 4.272 3.426 -2.921 1.00 0.00 H new ATOM 0 HA THR B 26 6.865 1.963 -3.269 1.00 0.00 H new ATOM 0 HB THR B 26 6.263 4.417 -1.829 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.580 4.738 -4.052 1.00 0.00 H new ATOM 0 HG21 THR B 26 8.637 4.957 -2.496 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.536 3.448 -1.557 1.00 0.00 H new ATOM 0 HG23 THR B 26 8.736 3.385 -3.324 1.00 0.00 H new ATOM 1262 N VAL B 27 6.266 0.409 -1.471 1.00 0.00 N ATOM 1263 CA VAL B 27 6.034 -0.608 -0.443 1.00 0.00 C ATOM 1264 C VAL B 27 7.414 -1.212 -0.137 1.00 0.00 C ATOM 1265 O VAL B 27 8.114 -1.695 -1.029 1.00 0.00 O ATOM 1266 CB VAL B 27 4.911 -1.612 -0.876 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.627 -0.840 -1.199 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.269 -2.416 -2.140 1.00 0.00 C ATOM 0 H VAL B 27 6.701 0.017 -2.306 1.00 0.00 H new ATOM 0 HA VAL B 27 5.629 -0.204 0.485 1.00 0.00 H new ATOM 0 HB VAL B 27 4.788 -2.301 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.848 -1.540 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.301 -0.291 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.819 -0.139 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.450 -3.092 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.436 -1.731 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL B 27 6.175 -2.995 -1.959 1.00 0.00 H new ATOM 1278 N GLU B 28 7.873 -1.078 1.109 1.00 0.00 N ATOM 1279 CA GLU B 28 9.050 -1.779 1.611 1.00 0.00 C ATOM 1280 C GLU B 28 8.675 -3.252 1.727 1.00 0.00 C ATOM 1281 O GLU B 28 7.864 -3.615 2.579 1.00 0.00 O ATOM 1282 CB GLU B 28 9.502 -1.217 2.962 1.00 0.00 C ATOM 1283 CG GLU B 28 10.047 0.215 2.894 1.00 0.00 C ATOM 1284 CD GLU B 28 10.121 0.873 4.275 1.00 0.00 C ATOM 1285 OE1 GLU B 28 9.093 0.823 4.996 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.189 1.437 4.608 1.00 0.00 O ATOM 0 H GLU B 28 7.432 -0.473 1.802 1.00 0.00 H new ATOM 0 HA GLU B 28 9.890 -1.647 0.930 1.00 0.00 H new ATOM 0 HB2 GLU B 28 8.660 -1.241 3.654 1.00 0.00 H new ATOM 0 HB3 GLU B 28 10.272 -1.868 3.375 1.00 0.00 H new ATOM 0 HG2 GLU B 28 11.040 0.203 2.446 1.00 0.00 H new ATOM 0 HG3 GLU B 28 9.411 0.813 2.242 1.00 0.00 H new ATOM 1293 N SER B 29 9.122 -4.082 0.781 1.00 0.00 N ATOM 1294 CA SER B 29 8.561 -5.388 0.509 1.00 0.00 C ATOM 1295 C SER B 29 9.574 -6.239 -0.260 1.00 0.00 C ATOM 1296 O SER B 29 10.214 -5.740 -1.182 1.00 0.00 O ATOM 1297 CB SER B 29 7.313 -5.100 -0.321 1.00 0.00 C ATOM 1298 OG SER B 29 6.368 -4.336 0.407 1.00 0.00 O ATOM 0 H SER B 29 9.906 -3.848 0.172 1.00 0.00 H new ATOM 0 HA SER B 29 8.317 -5.950 1.411 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.594 -4.564 -1.228 1.00 0.00 H new ATOM 0 HB3 SER B 29 6.858 -6.040 -0.634 1.00 0.00 H new ATOM 0 HG SER B 29 5.483 -4.433 -0.003 1.00 0.00 H new ATOM 1304 N SER B 30 9.757 -7.509 0.112 1.00 0.00 N ATOM 1305 CA SER B 30 10.745 -8.379 -0.523 1.00 0.00 C ATOM 1306 C SER B 30 10.255 -8.725 -1.923 1.00 0.00 C ATOM 1307 O SER B 30 9.063 -8.932 -2.101 1.00 0.00 O ATOM 1308 CB SER B 30 10.929 -9.664 0.286 1.00 0.00 C ATOM 1309 OG SER B 30 11.256 -9.387 1.638 1.00 0.00 O ATOM 0 H SER B 30 9.227 -7.959 0.858 1.00 0.00 H new ATOM 0 HA SER B 30 11.704 -7.863 -0.571 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.013 -10.254 0.246 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.717 -10.268 -0.163 1.00 0.00 H new ATOM 0 HG SER B 30 11.365 -10.229 2.127 1.00 0.00 H new ATOM 1315 N ALA B 31 11.143 -8.839 -2.916 1.00 0.00 N ATOM 1316 CA ALA B 31 10.750 -8.836 -4.327 1.00 0.00 C ATOM 1317 C ALA B 31 9.609 -9.798 -4.678 1.00 0.00 C ATOM 1318 O ALA B 31 8.729 -9.432 -5.459 1.00 0.00 O ATOM 1319 CB ALA B 31 11.968 -9.146 -5.199 1.00 0.00 C ATOM 0 H ALA B 31 12.147 -8.935 -2.765 1.00 0.00 H new ATOM 0 HA ALA B 31 10.365 -7.836 -4.525 1.00 0.00 H new ATOM 0 HB1 ALA B 31 11.674 -9.143 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.735 -8.389 -5.035 1.00 0.00 H new ATOM 0 HB3 ALA B 31 12.364 -10.127 -4.935 1.00 0.00 H new ATOM 1325 N GLU B 32 9.587 -11.004 -4.096 1.00 0.00 N ATOM 1326 CA GLU B 32 8.600 -12.005 -4.460 1.00 0.00 C ATOM 1327 C GLU B 32 7.407 -12.073 -3.503 1.00 0.00 C ATOM 1328 O GLU B 32 6.343 -12.601 -3.834 1.00 0.00 O ATOM 1329 CB GLU B 32 9.256 -13.359 -4.737 1.00 0.00 C ATOM 1330 CG GLU B 32 8.539 -13.942 -5.967 1.00 0.00 C ATOM 1331 CD GLU B 32 9.042 -15.275 -6.512 1.00 0.00 C ATOM 1332 OE1 GLU B 32 9.831 -15.960 -5.828 1.00 0.00 O ATOM 1333 OE2 GLU B 32 8.595 -15.585 -7.644 1.00 0.00 O ATOM 0 H GLU B 32 10.243 -11.301 -3.374 1.00 0.00 H new ATOM 0 HA GLU B 32 8.154 -11.680 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU B 32 10.323 -13.243 -4.928 1.00 0.00 H new ATOM 0 HB3 GLU B 32 9.156 -14.022 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU B 32 7.484 -14.058 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU B 32 8.598 -13.207 -6.770 1.00 0.00 H new ATOM 1340 N ASP B 33 7.532 -11.430 -2.350 1.00 0.00 N ATOM 1341 CA ASP B 33 6.410 -11.028 -1.539 1.00 0.00 C ATOM 1342 C ASP B 33 5.694 -9.843 -2.212 1.00 0.00 C ATOM 1343 O ASP B 33 4.469 -9.805 -2.253 1.00 0.00 O ATOM 1344 CB ASP B 33 6.920 -10.731 -0.127 1.00 0.00 C ATOM 1345 CG ASP B 33 6.423 -9.393 0.372 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.302 -9.383 0.912 1.00 0.00 O ATOM 1347 OD2 ASP B 33 7.171 -8.410 0.179 1.00 0.00 O ATOM 0 H ASP B 33 8.435 -11.172 -1.952 1.00 0.00 H new ATOM 0 HA ASP B 33 5.664 -11.818 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP B 33 6.593 -11.518 0.552 1.00 0.00 H new ATOM 0 HB3 ASP B 33 8.010 -10.740 -0.123 1.00 0.00 H new ATOM 1352 N LEU B 34 6.450 -8.935 -2.840 1.00 0.00 N ATOM 1353 CA LEU B 34 5.937 -7.838 -3.660 1.00 0.00 C ATOM 1354 C LEU B 34 5.217 -8.410 -4.872 1.00 0.00 C ATOM 1355 O LEU B 34 4.133 -7.964 -5.226 1.00 0.00 O ATOM 1356 CB LEU B 34 7.082 -6.871 -4.013 1.00 0.00 C ATOM 1357 CG LEU B 34 6.808 -5.943 -5.218 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.485 -4.589 -4.966 1.00 0.00 C ATOM 1359 CD2 LEU B 34 7.373 -6.495 -6.536 1.00 0.00 C ATOM 0 H LEU B 34 7.469 -8.946 -2.788 1.00 0.00 H new ATOM 0 HA LEU B 34 5.203 -7.249 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.298 -6.254 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.979 -7.455 -4.220 1.00 0.00 H new ATOM 0 HG LEU B 34 5.725 -5.858 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU B 34 7.298 -3.926 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU B 34 7.080 -4.143 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.559 -4.735 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU B 34 7.150 -5.801 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU B 34 8.453 -6.615 -6.447 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.917 -7.462 -6.751 1.00 0.00 H new ATOM 1371 N ARG B 35 5.807 -9.442 -5.467 1.00 0.00 N ATOM 1372 CA ARG B 35 5.197 -10.253 -6.518 1.00 0.00 C ATOM 1373 C ARG B 35 3.901 -10.830 -5.977 1.00 0.00 C ATOM 1374 O ARG B 35 2.871 -10.687 -6.619 1.00 0.00 O ATOM 1375 CB ARG B 35 6.117 -11.381 -7.012 1.00 0.00 C ATOM 1376 CG ARG B 35 5.600 -12.046 -8.297 1.00 0.00 C ATOM 1377 CD ARG B 35 6.431 -13.284 -8.671 1.00 0.00 C ATOM 1378 NE ARG B 35 5.955 -13.877 -9.929 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.213 -15.114 -10.380 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.038 -15.950 -9.747 1.00 0.00 N ATOM 1381 NH2 ARG B 35 5.622 -15.526 -11.502 1.00 0.00 N ATOM 0 H ARG B 35 6.750 -9.747 -5.225 1.00 0.00 H new ATOM 0 HA ARG B 35 5.011 -9.614 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG B 35 7.114 -10.979 -7.191 1.00 0.00 H new ATOM 0 HB3 ARG B 35 6.213 -12.135 -6.231 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.557 -12.334 -8.163 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.629 -11.327 -9.116 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.480 -13.006 -8.770 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.371 -14.022 -7.871 1.00 0.00 H new ATOM 0 HE ARG B 35 5.368 -13.288 -10.520 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.500 -15.656 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.207 -16.883 -10.124 1.00 0.00 H new ATOM 0 HH21 ARG B 35 4.986 -14.904 -12.002 1.00 0.00 H new ATOM 0 HH22 ARG B 35 5.806 -16.463 -11.861 1.00 0.00 H new ATOM 1395 N THR B 36 3.934 -11.473 -4.815 1.00 0.00 N ATOM 1396 CA THR B 36 2.753 -12.081 -4.219 1.00 0.00 C ATOM 1397 C THR B 36 1.659 -11.027 -3.995 1.00 0.00 C ATOM 1398 O THR B 36 0.526 -11.236 -4.426 1.00 0.00 O ATOM 1399 CB THR B 36 3.146 -12.836 -2.937 1.00 0.00 C ATOM 1400 OG1 THR B 36 4.142 -13.798 -3.233 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.952 -13.574 -2.322 1.00 0.00 C ATOM 0 H THR B 36 4.782 -11.587 -4.260 1.00 0.00 H new ATOM 0 HA THR B 36 2.328 -12.817 -4.902 1.00 0.00 H new ATOM 0 HB THR B 36 3.513 -12.094 -2.228 1.00 0.00 H new ATOM 0 HG1 THR B 36 5.029 -13.397 -3.119 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.272 -14.094 -1.419 1.00 0.00 H new ATOM 0 HG22 THR B 36 1.171 -12.856 -2.070 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.563 -14.297 -3.039 1.00 0.00 H new ATOM 1409 N LEU B 37 1.977 -9.873 -3.395 1.00 0.00 N ATOM 1410 CA LEU B 37 0.992 -8.818 -3.172 1.00 0.00 C ATOM 1411 C LEU B 37 0.548 -8.167 -4.502 1.00 0.00 C ATOM 1412 O LEU B 37 -0.591 -7.714 -4.629 1.00 0.00 O ATOM 1413 CB LEU B 37 1.447 -7.860 -2.053 1.00 0.00 C ATOM 1414 CG LEU B 37 2.077 -6.511 -2.457 1.00 0.00 C ATOM 1415 CD1 LEU B 37 1.021 -5.384 -2.336 1.00 0.00 C ATOM 1416 CD2 LEU B 37 3.280 -6.212 -1.545 1.00 0.00 C ATOM 0 H LEU B 37 2.913 -9.650 -3.056 1.00 0.00 H new ATOM 0 HA LEU B 37 0.070 -9.251 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.582 -7.648 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.169 -8.392 -1.433 1.00 0.00 H new ATOM 0 HG LEU B 37 2.419 -6.563 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.470 -4.433 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU B 37 0.180 -5.601 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.669 -5.324 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU B 37 3.725 -5.259 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.947 -6.161 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU B 37 4.021 -7.004 -1.649 1.00 0.00 H new ATOM 1428 N GLN B 38 1.396 -8.213 -5.539 1.00 0.00 N ATOM 1429 CA GLN B 38 1.032 -7.857 -6.901 1.00 0.00 C ATOM 1430 C GLN B 38 0.022 -8.881 -7.440 1.00 0.00 C ATOM 1431 O GLN B 38 -0.924 -8.490 -8.119 1.00 0.00 O ATOM 1432 CB GLN B 38 2.297 -7.717 -7.763 1.00 0.00 C ATOM 1433 CG GLN B 38 2.091 -7.599 -9.280 1.00 0.00 C ATOM 1434 CD GLN B 38 3.357 -8.068 -9.990 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.385 -9.142 -10.586 1.00 0.00 O ATOM 1436 NE2 GLN B 38 4.446 -7.320 -9.867 1.00 0.00 N ATOM 0 H GLN B 38 2.369 -8.505 -5.444 1.00 0.00 H new ATOM 0 HA GLN B 38 0.540 -6.885 -6.931 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.843 -6.836 -7.425 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.935 -8.580 -7.573 1.00 0.00 H new ATOM 0 HG2 GLN B 38 1.239 -8.202 -9.592 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.868 -6.567 -9.551 1.00 0.00 H new ATOM 0 HE21 GLN B 38 4.401 -6.431 -9.368 1.00 0.00 H new ATOM 0 HE22 GLN B 38 5.328 -7.634 -10.271 1.00 0.00 H new ATOM 1445 N GLN B 39 0.174 -10.175 -7.122 1.00 0.00 N ATOM 1446 CA GLN B 39 -0.805 -11.189 -7.481 1.00 0.00 C ATOM 1447 C GLN B 39 -2.116 -10.966 -6.723 1.00 0.00 C ATOM 1448 O GLN B 39 -3.167 -11.260 -7.280 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.314 -12.631 -7.286 1.00 0.00 C ATOM 1450 CG GLN B 39 1.051 -12.975 -7.898 1.00 0.00 C ATOM 1451 CD GLN B 39 1.364 -12.293 -9.233 1.00 0.00 C ATOM 1452 OE1 GLN B 39 0.852 -12.670 -10.280 1.00 0.00 O ATOM 1453 NE2 GLN B 39 2.236 -11.295 -9.197 1.00 0.00 N ATOM 0 H GLN B 39 0.979 -10.538 -6.611 1.00 0.00 H new ATOM 0 HA GLN B 39 -0.973 -11.071 -8.551 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.270 -12.835 -6.216 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.058 -13.306 -7.709 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.829 -12.708 -7.182 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.105 -14.054 -8.040 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.644 -11.006 -8.308 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.499 -10.816 -10.058 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.092 -10.405 -5.503 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.315 -9.939 -4.851 1.00 0.00 C ATOM 1464 C LEU B 40 -3.974 -8.845 -5.698 1.00 0.00 C ATOM 1465 O LEU B 40 -5.168 -8.967 -5.977 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.099 -9.473 -3.403 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.369 -10.441 -2.450 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.151 -9.757 -1.093 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.070 -11.785 -2.243 1.00 0.00 C ATOM 0 H LEU B 40 -1.243 -10.266 -4.956 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.986 -10.795 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.538 -8.539 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.074 -9.247 -2.972 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.420 -10.675 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.635 -10.441 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.548 -8.860 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.115 -9.484 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.485 -12.399 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.061 -11.617 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.164 -12.298 -3.200 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.231 -7.815 -6.150 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.789 -6.807 -7.072 1.00 0.00 C ATOM 1483 C PHE B 41 -4.337 -7.459 -8.353 1.00 0.00 C ATOM 1484 O PHE B 41 -5.400 -7.082 -8.837 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.780 -5.695 -7.437 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.341 -4.766 -6.314 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -3.293 -4.037 -5.580 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -0.975 -4.571 -6.034 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -2.900 -3.236 -4.493 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -0.575 -3.749 -4.968 1.00 0.00 C ATOM 1491 CZ PHE B 41 -1.539 -3.111 -4.172 1.00 0.00 C ATOM 0 H PHE B 41 -2.255 -7.660 -5.895 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.610 -6.336 -6.532 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.890 -6.168 -7.853 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -3.218 -5.087 -8.229 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -4.336 -4.093 -5.854 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -0.229 -5.058 -6.644 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -3.644 -2.718 -3.906 1.00 0.00 H new ATOM 0 HE2 PHE B 41 0.475 -3.608 -4.760 1.00 0.00 H new ATOM 0 HZ PHE B 41 -1.235 -2.526 -3.316 1.00 0.00 H new ATOM 1501 N LEU B 42 -3.627 -8.448 -8.903 1.00 0.00 N ATOM 1502 CA LEU B 42 -4.037 -9.185 -10.097 1.00 0.00 C ATOM 1503 C LEU B 42 -5.319 -9.999 -9.856 1.00 0.00 C ATOM 1504 O LEU B 42 -6.153 -10.108 -10.752 1.00 0.00 O ATOM 1505 CB LEU B 42 -2.852 -10.066 -10.527 1.00 0.00 C ATOM 1506 CG LEU B 42 -3.010 -10.803 -11.870 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -1.636 -10.925 -12.544 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -3.579 -12.218 -11.685 1.00 0.00 C ATOM 0 H LEU B 42 -2.735 -8.763 -8.522 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.288 -8.493 -10.900 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -1.961 -9.440 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.674 -10.807 -9.748 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.703 -10.226 -12.482 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.742 -11.446 -13.495 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.227 -9.930 -12.719 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.962 -11.486 -11.897 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.674 -12.702 -12.657 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.908 -12.800 -11.054 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.559 -12.157 -11.213 1.00 0.00 H new ATOM 1520 N SER B 43 -5.458 -10.584 -8.664 1.00 0.00 N ATOM 1521 CA SER B 43 -6.564 -11.422 -8.225 1.00 0.00 C ATOM 1522 C SER B 43 -7.821 -10.603 -7.944 1.00 0.00 C ATOM 1523 O SER B 43 -8.875 -10.828 -8.539 1.00 0.00 O ATOM 1524 CB SER B 43 -6.102 -12.157 -6.948 1.00 0.00 C ATOM 1525 OG SER B 43 -7.152 -12.719 -6.186 1.00 0.00 O ATOM 0 H SER B 43 -4.752 -10.474 -7.936 1.00 0.00 H new ATOM 0 HA SER B 43 -6.826 -12.129 -9.013 1.00 0.00 H new ATOM 0 HB2 SER B 43 -5.409 -12.950 -7.230 1.00 0.00 H new ATOM 0 HB3 SER B 43 -5.548 -11.458 -6.321 1.00 0.00 H new ATOM 0 HG SER B 43 -7.365 -12.126 -5.435 1.00 0.00 H new ATOM 1531 N THR B 44 -7.702 -9.699 -6.974 1.00 0.00 N ATOM 1532 CA THR B 44 -8.801 -9.132 -6.227 1.00 0.00 C ATOM 1533 C THR B 44 -8.648 -7.649 -5.908 1.00 0.00 C ATOM 1534 O THR B 44 -9.647 -6.938 -5.834 1.00 0.00 O ATOM 1535 CB THR B 44 -8.975 -9.938 -4.912 1.00 0.00 C ATOM 1536 OG1 THR B 44 -7.838 -10.737 -4.578 1.00 0.00 O ATOM 1537 CG2 THR B 44 -10.162 -10.883 -5.055 1.00 0.00 C ATOM 0 H THR B 44 -6.796 -9.332 -6.682 1.00 0.00 H new ATOM 0 HA THR B 44 -9.684 -9.204 -6.863 1.00 0.00 H new ATOM 0 HB THR B 44 -9.119 -9.201 -4.122 1.00 0.00 H new ATOM 0 HG1 THR B 44 -7.383 -10.350 -3.801 1.00 0.00 H new ATOM 0 HG21 THR B 44 -10.288 -11.451 -4.133 1.00 0.00 H new ATOM 0 HG22 THR B 44 -11.065 -10.305 -5.251 1.00 0.00 H new ATOM 0 HG23 THR B 44 -9.983 -11.569 -5.883 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.417 -7.212 -5.655 1.00 0.00 N ATOM 1546 CA LEU B 45 -7.130 -5.963 -4.957 1.00 0.00 C ATOM 1547 C LEU B 45 -6.967 -4.763 -5.885 1.00 0.00 C ATOM 1548 O LEU B 45 -6.625 -4.897 -7.057 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.866 -6.180 -4.100 1.00 0.00 C ATOM 1550 CG LEU B 45 -6.156 -6.126 -2.609 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -7.147 -7.223 -2.223 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -4.848 -6.275 -1.821 1.00 0.00 C ATOM 0 H LEU B 45 -6.579 -7.723 -5.933 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.988 -5.716 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.426 -7.146 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -5.126 -5.420 -4.351 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.603 -5.162 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.346 -7.173 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.078 -7.082 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.725 -8.197 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -5.060 -6.236 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -4.384 -7.231 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -4.169 -5.464 -2.086 1.00 0.00 H new ATOM 1564 N SER B 46 -7.100 -3.567 -5.313 1.00 0.00 N ATOM 1565 CA SER B 46 -6.875 -2.292 -5.967 1.00 0.00 C ATOM 1566 C SER B 46 -6.179 -1.339 -4.984 1.00 0.00 C ATOM 1567 O SER B 46 -5.941 -1.667 -3.816 1.00 0.00 O ATOM 1568 CB SER B 46 -8.215 -1.759 -6.512 1.00 0.00 C ATOM 1569 OG SER B 46 -9.328 -2.100 -5.706 1.00 0.00 O ATOM 0 H SER B 46 -7.380 -3.463 -4.338 1.00 0.00 H new ATOM 0 HA SER B 46 -6.210 -2.393 -6.825 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.157 -0.674 -6.598 1.00 0.00 H new ATOM 0 HB3 SER B 46 -8.371 -2.150 -7.517 1.00 0.00 H new ATOM 0 HG SER B 46 -9.961 -1.352 -5.689 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.816 -0.144 -5.453 1.00 0.00 N ATOM 1576 CA PHE B 47 -5.202 0.865 -4.611 1.00 0.00 C ATOM 1577 C PHE B 47 -5.931 2.182 -4.786 1.00 0.00 C ATOM 1578 O PHE B 47 -6.439 2.499 -5.865 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.705 1.001 -4.899 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.947 1.482 -3.677 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.873 2.853 -3.361 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.341 0.540 -2.827 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -2.212 3.275 -2.195 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.645 0.964 -1.685 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.597 2.330 -1.357 1.00 0.00 C ATOM 0 H PHE B 47 -5.942 0.144 -6.424 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.289 0.556 -3.569 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.306 0.039 -5.221 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.553 1.700 -5.721 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -3.326 3.582 -4.017 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.412 -0.514 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.177 4.325 -1.943 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -1.146 0.240 -1.058 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.088 2.653 -0.461 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.955 2.944 -3.699 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.661 4.186 -3.550 1.00 0.00 C ATOM 1597 C VAL B 48 -5.747 5.089 -2.720 1.00 0.00 C ATOM 1598 O VAL B 48 -5.510 4.817 -1.551 1.00 0.00 O ATOM 1599 CB VAL B 48 -8.069 3.868 -2.989 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.721 4.943 -2.133 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -9.030 3.586 -4.151 1.00 0.00 C ATOM 0 H VAL B 48 -5.447 2.685 -2.853 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.867 4.736 -4.468 1.00 0.00 H new ATOM 0 HB VAL B 48 -7.898 3.013 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.701 4.600 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.095 5.146 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.835 5.855 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -10.021 3.362 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -9.086 4.462 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -8.667 2.734 -4.725 1.00 0.00 H new ATOM 1611 N CYS B 49 -5.145 6.105 -3.351 1.00 0.00 N ATOM 1612 CA CYS B 49 -4.246 7.058 -2.695 1.00 0.00 C ATOM 1613 C CYS B 49 -4.974 7.747 -1.526 1.00 0.00 C ATOM 1614 O CYS B 49 -6.146 8.095 -1.682 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.750 8.073 -3.743 1.00 0.00 C ATOM 1616 SG CYS B 49 -4.958 8.645 -4.984 1.00 0.00 S ATOM 0 H CYS B 49 -5.272 6.289 -4.346 1.00 0.00 H new ATOM 0 HA CYS B 49 -3.381 6.542 -2.278 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -3.369 8.947 -3.214 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -2.907 7.628 -4.272 1.00 0.00 H new ATOM 0 HG CYS B 49 -6.163 8.489 -4.521 1.00 0.00 H new ATOM 1621 N PRO B 50 -4.318 8.012 -0.373 1.00 0.00 N ATOM 1622 CA PRO B 50 -5.028 8.502 0.815 1.00 0.00 C ATOM 1623 C PRO B 50 -5.698 9.874 0.607 1.00 0.00 C ATOM 1624 O PRO B 50 -6.714 10.172 1.246 1.00 0.00 O ATOM 1625 CB PRO B 50 -4.002 8.500 1.953 1.00 0.00 C ATOM 1626 CG PRO B 50 -2.653 8.544 1.236 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.911 7.771 -0.057 1.00 0.00 C ATOM 0 HA PRO B 50 -5.870 7.851 1.051 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -4.133 9.360 2.610 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -4.095 7.608 2.573 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -2.338 9.568 1.035 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -1.867 8.080 1.831 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -2.262 8.119 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -2.713 6.707 0.074 1.00 0.00 H new ATOM 1635 N TRP B 51 -5.184 10.675 -0.339 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.822 11.882 -0.849 1.00 0.00 C ATOM 1637 C TRP B 51 -7.239 11.555 -1.335 1.00 0.00 C ATOM 1638 O TRP B 51 -8.212 12.011 -0.732 1.00 0.00 O ATOM 1639 CB TRP B 51 -4.958 12.514 -1.961 1.00 0.00 C ATOM 1640 CG TRP B 51 -5.726 13.352 -2.941 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -6.554 14.367 -2.612 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -5.901 13.148 -4.378 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -7.267 14.765 -3.722 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -6.910 14.044 -4.842 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -5.347 12.261 -5.326 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -7.361 14.043 -6.171 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -5.782 12.258 -6.665 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -6.790 13.143 -7.087 1.00 0.00 C ATOM 0 H TRP B 51 -4.283 10.488 -0.779 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.907 12.617 -0.049 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -4.187 13.131 -1.499 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -4.447 11.719 -2.504 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -6.644 14.801 -1.627 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -7.972 15.502 -3.716 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -4.575 11.572 -5.018 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -8.137 14.725 -6.486 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -5.339 11.572 -7.372 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -7.125 13.131 -8.114 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.363 10.759 -2.406 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.661 10.415 -2.975 1.00 0.00 C ATOM 1661 C CYS B 52 -9.478 9.559 -2.021 1.00 0.00 C ATOM 1662 O CYS B 52 -10.704 9.498 -2.132 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.489 9.675 -4.297 1.00 0.00 C ATOM 1664 SG CYS B 52 -8.184 7.902 -4.212 1.00 0.00 S ATOM 0 H CYS B 52 -6.571 10.342 -2.894 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.196 11.349 -3.148 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -9.387 9.835 -4.894 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.661 10.135 -4.837 1.00 0.00 H new ATOM 0 HG CYS B 52 -8.207 7.400 -5.411 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.807 8.878 -1.088 1.00 0.00 N ATOM 1670 CA ALA B 53 -9.498 8.091 -0.103 1.00 0.00 C ATOM 1671 C ALA B 53 -10.300 8.981 0.842 1.00 0.00 C ATOM 1672 O ALA B 53 -11.395 8.596 1.259 1.00 0.00 O ATOM 1673 CB ALA B 53 -8.511 7.300 0.744 1.00 0.00 C ATOM 0 H ALA B 53 -7.790 8.865 -1.007 1.00 0.00 H new ATOM 0 HA ALA B 53 -10.163 7.418 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -9.055 6.712 1.483 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -7.934 6.634 0.103 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -7.836 7.988 1.254 1.00 0.00 H new ATOM 1679 N THR B 54 -9.699 10.125 1.202 1.00 0.00 N ATOM 1680 CA THR B 54 -10.192 11.089 2.177 1.00 0.00 C ATOM 1681 C THR B 54 -11.087 12.141 1.512 1.00 0.00 C ATOM 1682 O THR B 54 -12.088 12.535 2.102 1.00 0.00 O ATOM 1683 CB THR B 54 -8.982 11.741 2.876 1.00 0.00 C ATOM 1684 OG1 THR B 54 -8.094 10.741 3.339 1.00 0.00 O ATOM 1685 CG2 THR B 54 -9.384 12.602 4.077 1.00 0.00 C ATOM 0 H THR B 54 -8.809 10.411 0.795 1.00 0.00 H new ATOM 0 HA THR B 54 -10.807 10.579 2.918 1.00 0.00 H new ATOM 0 HB THR B 54 -8.508 12.382 2.133 1.00 0.00 H new ATOM 0 HG1 THR B 54 -7.676 10.295 2.573 1.00 0.00 H new ATOM 0 HG21 THR B 54 -8.492 13.035 4.529 1.00 0.00 H new ATOM 0 HG22 THR B 54 -10.047 13.401 3.746 1.00 0.00 H new ATOM 0 HG23 THR B 54 -9.899 11.984 4.812 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.755 12.583 0.288 1.00 0.00 N ATOM 1694 CA ASN B 55 -11.652 13.408 -0.537 1.00 0.00 C ATOM 1695 C ASN B 55 -12.920 12.618 -0.858 1.00 0.00 C ATOM 1696 O ASN B 55 -14.015 13.170 -0.782 1.00 0.00 O ATOM 1697 CB ASN B 55 -10.964 13.847 -1.847 1.00 0.00 C ATOM 1698 CG ASN B 55 -9.940 14.968 -1.688 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -9.654 15.701 -2.629 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -9.341 15.113 -0.515 1.00 0.00 N ATOM 0 H ASN B 55 -9.860 12.379 -0.156 1.00 0.00 H new ATOM 0 HA ASN B 55 -11.907 14.305 0.027 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -10.469 12.982 -2.289 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -11.730 14.171 -2.552 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -8.636 15.839 -0.389 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -9.585 14.499 0.262 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.721 11.325 -1.144 1.00 0.00 N ATOM 1708 CA GLN B 56 -13.689 10.271 -1.409 1.00 0.00 C ATOM 1709 C GLN B 56 -14.114 10.252 -2.877 1.00 0.00 C ATOM 1710 O GLN B 56 -14.329 9.112 -3.350 1.00 0.00 O ATOM 1711 CB GLN B 56 -14.853 10.281 -0.406 1.00 0.00 C ATOM 1712 CG GLN B 56 -15.644 8.967 -0.467 1.00 0.00 C ATOM 1713 CD GLN B 56 -16.425 8.719 0.820 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -16.009 7.910 1.652 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -17.542 9.404 1.020 1.00 0.00 N ATOM 0 H GLN B 56 -11.770 10.960 -1.200 1.00 0.00 H new ATOM 0 HA GLN B 56 -13.195 9.314 -1.242 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -14.467 10.431 0.602 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -15.516 11.119 -0.621 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -16.333 8.996 -1.311 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -14.959 8.138 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -17.866 10.068 0.317 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -18.078 9.267 1.877 1.00 0.00 H new