USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 592 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 55 GLN : amide:sc= 0.501 K(o=0.5,f=-1.1) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -115:sc= 0.608 (180deg=-0.067) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -149:sc= 0.748 (180deg=0.441) USER MOD Single : A 14 THR OG1 : rot -59:sc= 0.43 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 48:sc= 0.684 USER MOD Single : A 24 ASN : amide:sc= -0.889 X(o=-0.89,f=-1.1) USER MOD Single : A 26 ASN : amide:sc= -0.0317 K(o=-0.032,f=-3.4!) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0945 F(o=-1.8!,f=-0.094) USER MOD Single : A 38 MET CE :methyl -155:sc= -0.688 (180deg=-2.78!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 47 ASN : amide:sc=-0.000814 X(o=-0.00081,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -0.0204 (180deg=-0.149) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 -6.529 11.139 0.583 1.00 41.22 N ATOM 33 CA VAL A 3 -5.599 10.675 -0.457 1.00 10.45 C ATOM 34 C VAL A 3 -6.210 10.730 -1.866 1.00 34.31 C ATOM 35 O VAL A 3 -7.277 10.170 -2.121 1.00 43.33 O ATOM 36 CB VAL A 3 -5.127 9.229 -0.163 1.00 72.25 C ATOM 37 CG1 VAL A 3 -4.171 8.727 -1.248 1.00 75.01 C ATOM 38 CG2 VAL A 3 -4.469 9.158 1.217 1.00 20.44 C ATOM 0 HA VAL A 3 -4.749 11.357 -0.434 1.00 10.45 H new ATOM 0 HB VAL A 3 -6.001 8.577 -0.167 1.00 72.25 H new ATOM 0 HG11 VAL A 3 -3.857 7.710 -1.014 1.00 75.01 H new ATOM 0 HG12 VAL A 3 -4.678 8.737 -2.213 1.00 75.01 H new ATOM 0 HG13 VAL A 3 -3.296 9.376 -1.291 1.00 75.01 H new ATOM 0 HG21 VAL A 3 -4.142 8.137 1.412 1.00 20.44 H new ATOM 0 HG22 VAL A 3 -3.608 9.826 1.245 1.00 20.44 H new ATOM 0 HG23 VAL A 3 -5.188 9.460 1.979 1.00 20.44 H new ATOM 48 N GLU A 4 -5.518 11.413 -2.774 1.00 52.35 N ATOM 49 CA GLU A 4 -5.908 11.468 -4.187 1.00 22.23 C ATOM 50 C GLU A 4 -5.134 10.420 -5.014 1.00 41.34 C ATOM 51 O GLU A 4 -4.045 9.996 -4.623 1.00 11.40 O ATOM 52 CB GLU A 4 -5.629 12.869 -4.750 1.00 5.01 C ATOM 53 CG GLU A 4 -6.415 13.986 -4.073 1.00 72.15 C ATOM 54 CD GLU A 4 -6.003 15.364 -4.571 1.00 64.42 C ATOM 55 OE1 GLU A 4 -6.423 15.749 -5.682 1.00 51.31 O ATOM 56 OE2 GLU A 4 -5.243 16.059 -3.865 1.00 34.44 O ATOM 0 H GLU A 4 -4.674 11.943 -2.556 1.00 52.35 H new ATOM 0 HA GLU A 4 -6.973 11.248 -4.255 1.00 22.23 H new ATOM 0 HB2 GLU A 4 -4.564 13.081 -4.654 1.00 5.01 H new ATOM 0 HB3 GLU A 4 -5.860 12.872 -5.815 1.00 5.01 H new ATOM 0 HG2 GLU A 4 -7.480 13.840 -4.254 1.00 72.15 H new ATOM 0 HG3 GLU A 4 -6.265 13.932 -2.995 1.00 72.15 H new ATOM 63 N PRO A 5 -5.685 9.984 -6.167 1.00 72.24 N ATOM 64 CA PRO A 5 -4.991 9.043 -7.069 1.00 14.03 C ATOM 65 C PRO A 5 -3.673 9.613 -7.638 1.00 63.23 C ATOM 66 O PRO A 5 -3.526 10.829 -7.809 1.00 53.22 O ATOM 67 CB PRO A 5 -6.007 8.807 -8.203 1.00 64.43 C ATOM 68 CG PRO A 5 -7.324 9.229 -7.641 1.00 12.01 C ATOM 69 CD PRO A 5 -7.021 10.344 -6.676 1.00 3.13 C ATOM 0 HA PRO A 5 -4.697 8.135 -6.543 1.00 14.03 H new ATOM 0 HB2 PRO A 5 -5.752 9.389 -9.088 1.00 64.43 H new ATOM 0 HB3 PRO A 5 -6.025 7.760 -8.505 1.00 64.43 H new ATOM 0 HG2 PRO A 5 -7.996 9.567 -8.430 1.00 12.01 H new ATOM 0 HG3 PRO A 5 -7.818 8.399 -7.136 1.00 12.01 H new ATOM 0 HD2 PRO A 5 -7.017 11.316 -7.170 1.00 3.13 H new ATOM 0 HD3 PRO A 5 -7.758 10.397 -5.875 1.00 3.13 H new ATOM 77 N GLY A 6 -2.720 8.722 -7.921 1.00 41.42 N ATOM 78 CA GLY A 6 -1.441 9.118 -8.513 1.00 23.52 C ATOM 79 C GLY A 6 -0.539 9.931 -7.582 1.00 53.12 C ATOM 80 O GLY A 6 0.393 10.594 -8.039 1.00 20.44 O ATOM 0 H GLY A 6 -2.810 7.721 -7.749 1.00 41.42 H new ATOM 0 HA2 GLY A 6 -0.906 8.221 -8.826 1.00 23.52 H new ATOM 0 HA3 GLY A 6 -1.636 9.703 -9.412 1.00 23.52 H new ATOM 84 N LYS A 7 -0.791 9.869 -6.276 1.00 3.45 N ATOM 85 CA LYS A 7 -0.032 10.671 -5.303 1.00 2.04 C ATOM 86 C LYS A 7 0.961 9.823 -4.486 1.00 11.11 C ATOM 87 O LYS A 7 0.734 8.639 -4.228 1.00 14.11 O ATOM 88 CB LYS A 7 -0.996 11.410 -4.365 1.00 14.31 C ATOM 89 CG LYS A 7 -1.955 12.352 -5.088 1.00 63.45 C ATOM 90 CD LYS A 7 -1.212 13.421 -5.890 1.00 12.51 C ATOM 91 CE LYS A 7 -2.172 14.302 -6.681 1.00 53.14 C ATOM 92 NZ LYS A 7 -2.940 13.523 -7.692 1.00 62.01 N ATOM 0 H LYS A 7 -1.511 9.276 -5.863 1.00 3.45 H new ATOM 0 HA LYS A 7 0.556 11.394 -5.869 1.00 2.04 H new ATOM 0 HB2 LYS A 7 -1.575 10.677 -3.803 1.00 14.31 H new ATOM 0 HB3 LYS A 7 -0.417 11.982 -3.640 1.00 14.31 H new ATOM 0 HG2 LYS A 7 -2.594 11.776 -5.757 1.00 63.45 H new ATOM 0 HG3 LYS A 7 -2.608 12.833 -4.360 1.00 63.45 H new ATOM 0 HD2 LYS A 7 -0.624 14.040 -5.213 1.00 12.51 H new ATOM 0 HD3 LYS A 7 -0.511 12.942 -6.573 1.00 12.51 H new ATOM 0 HE2 LYS A 7 -2.865 14.789 -5.995 1.00 53.14 H new ATOM 0 HE3 LYS A 7 -1.611 15.091 -7.181 1.00 53.14 H new ATOM 0 HZ1 LYS A 7 -2.678 13.840 -8.647 1.00 62.01 H new ATOM 0 HZ2 LYS A 7 -2.720 12.511 -7.591 1.00 62.01 H new ATOM 0 HZ3 LYS A 7 -3.959 13.672 -7.545 1.00 62.01 H new ATOM 106 N PHE A 8 2.061 10.456 -4.078 1.00 4.22 N ATOM 107 CA PHE A 8 3.144 9.789 -3.336 1.00 63.05 C ATOM 108 C PHE A 8 2.922 9.890 -1.816 1.00 74.32 C ATOM 109 O PHE A 8 2.670 10.977 -1.292 1.00 41.14 O ATOM 110 CB PHE A 8 4.495 10.437 -3.694 1.00 71.14 C ATOM 111 CG PHE A 8 4.872 10.353 -5.160 1.00 40.41 C ATOM 112 CD1 PHE A 8 4.032 10.863 -6.141 1.00 53.21 C ATOM 113 CD2 PHE A 8 6.074 9.779 -5.554 1.00 1.52 C ATOM 114 CE1 PHE A 8 4.378 10.801 -7.476 1.00 62.13 C ATOM 115 CE2 PHE A 8 6.422 9.713 -6.890 1.00 4.14 C ATOM 116 CZ PHE A 8 5.574 10.224 -7.852 1.00 35.12 C ATOM 0 H PHE A 8 2.231 11.447 -4.250 1.00 4.22 H new ATOM 0 HA PHE A 8 3.147 8.736 -3.618 1.00 63.05 H new ATOM 0 HB2 PHE A 8 4.468 11.486 -3.400 1.00 71.14 H new ATOM 0 HB3 PHE A 8 5.278 9.961 -3.104 1.00 71.14 H new ATOM 0 HD1 PHE A 8 3.094 11.315 -5.855 1.00 53.21 H new ATOM 0 HD2 PHE A 8 6.745 9.380 -4.808 1.00 1.52 H new ATOM 0 HE1 PHE A 8 3.713 11.204 -8.226 1.00 62.13 H new ATOM 0 HE2 PHE A 8 7.359 9.261 -7.182 1.00 4.14 H new ATOM 0 HZ PHE A 8 5.846 10.172 -8.896 1.00 35.12 H new ATOM 126 N TYR A 9 3.021 8.761 -1.107 1.00 32.13 N ATOM 127 CA TYR A 9 2.839 8.742 0.358 1.00 35.14 C ATOM 128 C TYR A 9 3.700 7.678 1.059 1.00 61.31 C ATOM 129 O TYR A 9 3.949 6.593 0.527 1.00 4.40 O ATOM 130 CB TYR A 9 1.362 8.508 0.726 1.00 65.11 C ATOM 131 CG TYR A 9 0.456 9.686 0.437 1.00 11.42 C ATOM 132 CD1 TYR A 9 0.403 10.765 1.313 1.00 21.01 C ATOM 133 CD2 TYR A 9 -0.341 9.726 -0.702 1.00 61.24 C ATOM 134 CE1 TYR A 9 -0.412 11.847 1.063 1.00 41.41 C ATOM 135 CE2 TYR A 9 -1.158 10.810 -0.958 1.00 50.04 C ATOM 136 CZ TYR A 9 -1.189 11.864 -0.072 1.00 51.33 C ATOM 137 OH TYR A 9 -1.998 12.946 -0.321 1.00 20.02 O ATOM 0 H TYR A 9 3.225 7.849 -1.516 1.00 32.13 H new ATOM 0 HA TYR A 9 3.164 9.721 0.709 1.00 35.14 H new ATOM 0 HB2 TYR A 9 0.996 7.640 0.178 1.00 65.11 H new ATOM 0 HB3 TYR A 9 1.297 8.266 1.787 1.00 65.11 H new ATOM 0 HD1 TYR A 9 1.012 10.754 2.205 1.00 21.01 H new ATOM 0 HD2 TYR A 9 -0.321 8.898 -1.396 1.00 61.24 H new ATOM 0 HE1 TYR A 9 -0.441 12.677 1.754 1.00 41.41 H new ATOM 0 HE2 TYR A 9 -1.769 10.831 -1.848 1.00 50.04 H new ATOM 0 HH TYR A 9 -2.482 12.806 -1.162 1.00 20.02 H new ATOM 147 N LYS A 10 4.154 8.015 2.266 1.00 21.03 N ATOM 148 CA LYS A 10 4.796 7.048 3.165 1.00 71.11 C ATOM 149 C LYS A 10 3.740 6.242 3.935 1.00 15.30 C ATOM 150 O LYS A 10 2.793 6.808 4.485 1.00 62.31 O ATOM 151 CB LYS A 10 5.718 7.780 4.157 1.00 43.21 C ATOM 152 CG LYS A 10 6.135 6.942 5.368 1.00 53.31 C ATOM 153 CD LYS A 10 6.931 7.768 6.382 1.00 21.22 C ATOM 154 CE LYS A 10 8.392 7.929 5.976 1.00 41.03 C ATOM 155 NZ LYS A 10 9.145 6.649 6.107 1.00 51.10 N ATOM 0 H LYS A 10 4.089 8.958 2.649 1.00 21.03 H new ATOM 0 HA LYS A 10 5.390 6.360 2.563 1.00 71.11 H new ATOM 0 HB2 LYS A 10 6.615 8.105 3.629 1.00 43.21 H new ATOM 0 HB3 LYS A 10 5.212 8.679 4.509 1.00 43.21 H new ATOM 0 HG2 LYS A 10 5.247 6.532 5.850 1.00 53.31 H new ATOM 0 HG3 LYS A 10 6.737 6.096 5.035 1.00 53.31 H new ATOM 0 HD2 LYS A 10 6.474 8.752 6.485 1.00 21.22 H new ATOM 0 HD3 LYS A 10 6.878 7.289 7.359 1.00 21.22 H new ATOM 0 HE2 LYS A 10 8.447 8.280 4.945 1.00 41.03 H new ATOM 0 HE3 LYS A 10 8.860 8.692 6.598 1.00 41.03 H new ATOM 0 HZ1 LYS A 10 10.137 6.853 6.343 1.00 51.10 H new ATOM 0 HZ2 LYS A 10 8.721 6.072 6.861 1.00 51.10 H new ATOM 0 HZ3 LYS A 10 9.103 6.128 5.208 1.00 51.10 H new ATOM 169 N GLY A 11 3.903 4.926 3.971 1.00 35.31 N ATOM 170 CA GLY A 11 2.979 4.075 4.710 1.00 40.41 C ATOM 171 C GLY A 11 3.682 3.023 5.558 1.00 70.24 C ATOM 172 O GLY A 11 4.907 2.897 5.517 1.00 73.53 O ATOM 0 H GLY A 11 4.659 4.428 3.502 1.00 35.31 H new ATOM 0 HA2 GLY A 11 2.358 4.697 5.355 1.00 40.41 H new ATOM 0 HA3 GLY A 11 2.310 3.578 4.007 1.00 40.41 H new ATOM 176 N VAL A 12 2.907 2.263 6.330 1.00 63.21 N ATOM 177 CA VAL A 12 3.453 1.189 7.168 1.00 53.11 C ATOM 178 C VAL A 12 2.616 -0.099 7.049 1.00 33.02 C ATOM 179 O VAL A 12 1.384 -0.052 7.012 1.00 22.33 O ATOM 180 CB VAL A 12 3.540 1.628 8.652 1.00 13.04 C ATOM 181 CG1 VAL A 12 2.155 1.949 9.213 1.00 32.35 C ATOM 182 CG2 VAL A 12 4.248 0.566 9.494 1.00 25.14 C ATOM 0 H VAL A 12 1.895 2.369 6.395 1.00 63.21 H new ATOM 0 HA VAL A 12 4.459 0.979 6.806 1.00 53.11 H new ATOM 0 HB VAL A 12 4.134 2.541 8.699 1.00 13.04 H new ATOM 0 HG11 VAL A 12 2.246 2.254 10.255 1.00 32.35 H new ATOM 0 HG12 VAL A 12 1.707 2.758 8.636 1.00 32.35 H new ATOM 0 HG13 VAL A 12 1.522 1.064 9.148 1.00 32.35 H new ATOM 0 HG21 VAL A 12 4.297 0.897 10.531 1.00 25.14 H new ATOM 0 HG22 VAL A 12 3.695 -0.371 9.438 1.00 25.14 H new ATOM 0 HG23 VAL A 12 5.258 0.414 9.114 1.00 25.14 H new ATOM 192 N VAL A 13 3.298 -1.242 6.982 1.00 61.54 N ATOM 193 CA VAL A 13 2.637 -2.543 6.803 1.00 33.30 C ATOM 194 C VAL A 13 1.954 -3.039 8.095 1.00 21.32 C ATOM 195 O VAL A 13 2.557 -3.041 9.169 1.00 72.43 O ATOM 196 CB VAL A 13 3.649 -3.616 6.327 1.00 21.31 C ATOM 197 CG1 VAL A 13 2.962 -4.964 6.125 1.00 2.54 C ATOM 198 CG2 VAL A 13 4.355 -3.167 5.046 1.00 34.44 C ATOM 0 H VAL A 13 4.314 -1.297 7.049 1.00 61.54 H new ATOM 0 HA VAL A 13 1.869 -2.393 6.044 1.00 33.30 H new ATOM 0 HB VAL A 13 4.403 -3.737 7.105 1.00 21.31 H new ATOM 0 HG11 VAL A 13 3.694 -5.699 5.791 1.00 2.54 H new ATOM 0 HG12 VAL A 13 2.521 -5.292 7.066 1.00 2.54 H new ATOM 0 HG13 VAL A 13 2.179 -4.864 5.373 1.00 2.54 H new ATOM 0 HG21 VAL A 13 5.060 -3.936 4.731 1.00 34.44 H new ATOM 0 HG22 VAL A 13 3.617 -3.008 4.260 1.00 34.44 H new ATOM 0 HG23 VAL A 13 4.892 -2.237 5.233 1.00 34.44 H new ATOM 208 N THR A 14 0.694 -3.468 7.976 1.00 71.45 N ATOM 209 CA THR A 14 -0.071 -3.992 9.121 1.00 61.53 C ATOM 210 C THR A 14 -0.208 -5.523 9.073 1.00 31.32 C ATOM 211 O THR A 14 -0.111 -6.195 10.102 1.00 70.44 O ATOM 212 CB THR A 14 -1.479 -3.364 9.184 1.00 65.24 C ATOM 213 OG1 THR A 14 -2.236 -3.723 8.019 1.00 12.22 O ATOM 214 CG2 THR A 14 -1.386 -1.844 9.281 1.00 31.41 C ATOM 0 H THR A 14 0.177 -3.464 7.097 1.00 71.45 H new ATOM 0 HA THR A 14 0.491 -3.721 10.015 1.00 61.53 H new ATOM 0 HB THR A 14 -1.981 -3.746 10.073 1.00 65.24 H new ATOM 0 HG1 THR A 14 -1.767 -3.414 7.216 1.00 12.22 H new ATOM 0 HG21 THR A 14 -2.389 -1.420 9.324 1.00 31.41 H new ATOM 0 HG22 THR A 14 -0.837 -1.570 10.182 1.00 31.41 H new ATOM 0 HG23 THR A 14 -0.865 -1.455 8.406 1.00 31.41 H new ATOM 222 N ARG A 15 -0.454 -6.069 7.882 1.00 50.21 N ATOM 223 CA ARG A 15 -0.500 -7.526 7.687 1.00 33.31 C ATOM 224 C ARG A 15 -0.156 -7.914 6.239 1.00 72.55 C ATOM 225 O ARG A 15 -0.520 -7.216 5.290 1.00 12.31 O ATOM 226 CB ARG A 15 -1.878 -8.094 8.076 1.00 2.24 C ATOM 227 CG ARG A 15 -3.054 -7.496 7.301 1.00 45.34 C ATOM 228 CD ARG A 15 -4.365 -8.210 7.627 1.00 51.51 C ATOM 229 NE ARG A 15 -5.506 -7.623 6.922 1.00 5.14 N ATOM 230 CZ ARG A 15 -6.512 -8.309 6.443 1.00 44.14 C ATOM 231 NH1 ARG A 15 -6.550 -9.598 6.548 1.00 45.54 N ATOM 232 NH2 ARG A 15 -7.482 -7.694 5.856 1.00 2.42 N ATOM 0 H ARG A 15 -0.625 -5.528 7.035 1.00 50.21 H new ATOM 0 HA ARG A 15 0.254 -7.962 8.343 1.00 33.31 H new ATOM 0 HB2 ARG A 15 -1.869 -9.173 7.921 1.00 2.24 H new ATOM 0 HB3 ARG A 15 -2.038 -7.926 9.141 1.00 2.24 H new ATOM 0 HG2 ARG A 15 -3.147 -6.437 7.540 1.00 45.34 H new ATOM 0 HG3 ARG A 15 -2.858 -7.565 6.231 1.00 45.34 H new ATOM 0 HD2 ARG A 15 -4.279 -9.263 7.361 1.00 51.51 H new ATOM 0 HD3 ARG A 15 -4.543 -8.166 8.702 1.00 51.51 H new ATOM 0 HE ARG A 15 -5.517 -6.611 6.796 1.00 5.14 H new ATOM 0 HH11 ARG A 15 -5.788 -10.095 7.010 1.00 45.54 H new ATOM 0 HH12 ARG A 15 -7.342 -10.117 6.169 1.00 45.54 H new ATOM 0 HH21 ARG A 15 -7.462 -6.678 5.767 1.00 2.42 H new ATOM 0 HH22 ARG A 15 -8.269 -8.224 5.481 1.00 2.42 H new ATOM 246 N ILE A 16 0.552 -9.034 6.085 1.00 42.21 N ATOM 247 CA ILE A 16 0.977 -9.520 4.766 1.00 14.23 C ATOM 248 C ILE A 16 0.035 -10.612 4.237 1.00 0.24 C ATOM 249 O ILE A 16 -0.030 -11.715 4.789 1.00 20.35 O ATOM 250 CB ILE A 16 2.420 -10.091 4.815 1.00 53.22 C ATOM 251 CG1 ILE A 16 3.418 -9.020 5.288 1.00 53.33 C ATOM 252 CG2 ILE A 16 2.837 -10.644 3.449 1.00 52.22 C ATOM 253 CD1 ILE A 16 3.547 -7.844 4.346 1.00 0.33 C ATOM 0 H ILE A 16 0.846 -9.627 6.861 1.00 42.21 H new ATOM 0 HA ILE A 16 0.946 -8.662 4.094 1.00 14.23 H new ATOM 0 HB ILE A 16 2.430 -10.911 5.533 1.00 53.22 H new ATOM 0 HG12 ILE A 16 3.108 -8.656 6.268 1.00 53.33 H new ATOM 0 HG13 ILE A 16 4.398 -9.481 5.414 1.00 53.33 H new ATOM 0 HG21 ILE A 16 3.851 -11.038 3.510 1.00 52.22 H new ATOM 0 HG22 ILE A 16 2.155 -11.442 3.156 1.00 52.22 H new ATOM 0 HG23 ILE A 16 2.802 -9.846 2.707 1.00 52.22 H new ATOM 0 HD11 ILE A 16 4.268 -7.133 4.749 1.00 0.33 H new ATOM 0 HD12 ILE A 16 3.888 -8.194 3.372 1.00 0.33 H new ATOM 0 HD13 ILE A 16 2.578 -7.356 4.238 1.00 0.33 H new ATOM 265 N GLU A 17 -0.689 -10.301 3.170 1.00 70.31 N ATOM 266 CA GLU A 17 -1.533 -11.286 2.490 1.00 40.10 C ATOM 267 C GLU A 17 -0.819 -11.846 1.254 1.00 54.22 C ATOM 268 O GLU A 17 0.033 -11.183 0.658 1.00 65.41 O ATOM 269 CB GLU A 17 -2.871 -10.655 2.080 1.00 10.40 C ATOM 270 CG GLU A 17 -3.745 -10.232 3.259 1.00 41.12 C ATOM 271 CD GLU A 17 -4.452 -11.402 3.929 1.00 2.23 C ATOM 272 OE1 GLU A 17 -3.776 -12.225 4.582 1.00 3.11 O ATOM 273 OE2 GLU A 17 -5.690 -11.507 3.800 1.00 71.53 O ATOM 0 H GLU A 17 -0.711 -9.371 2.752 1.00 70.31 H new ATOM 0 HA GLU A 17 -1.727 -12.104 3.184 1.00 40.10 H new ATOM 0 HB2 GLU A 17 -2.674 -9.783 1.456 1.00 10.40 H new ATOM 0 HB3 GLU A 17 -3.424 -11.367 1.468 1.00 10.40 H new ATOM 0 HG2 GLU A 17 -3.127 -9.719 3.996 1.00 41.12 H new ATOM 0 HG3 GLU A 17 -4.490 -9.515 2.913 1.00 41.12 H new ATOM 280 N LYS A 18 -1.183 -13.059 0.858 1.00 45.24 N ATOM 281 CA LYS A 18 -0.557 -13.725 -0.295 1.00 40.45 C ATOM 282 C LYS A 18 -0.913 -13.034 -1.628 1.00 13.02 C ATOM 283 O LYS A 18 -0.383 -13.384 -2.684 1.00 24.15 O ATOM 284 CB LYS A 18 -0.977 -15.200 -0.325 1.00 73.42 C ATOM 285 CG LYS A 18 -0.596 -15.962 0.943 1.00 44.21 C ATOM 286 CD LYS A 18 -1.084 -17.409 0.923 1.00 1.54 C ATOM 287 CE LYS A 18 -2.601 -17.497 0.820 1.00 53.01 C ATOM 288 NZ LYS A 18 -3.087 -18.888 1.004 1.00 40.12 N ATOM 0 H LYS A 18 -1.910 -13.609 1.315 1.00 45.24 H new ATOM 0 HA LYS A 18 0.524 -13.654 -0.179 1.00 40.45 H new ATOM 0 HB2 LYS A 18 -2.056 -15.261 -0.467 1.00 73.42 H new ATOM 0 HB3 LYS A 18 -0.515 -15.685 -1.185 1.00 73.42 H new ATOM 0 HG2 LYS A 18 0.488 -15.949 1.059 1.00 44.21 H new ATOM 0 HG3 LYS A 18 -1.016 -15.452 1.810 1.00 44.21 H new ATOM 0 HD2 LYS A 18 -0.632 -17.933 0.080 1.00 1.54 H new ATOM 0 HD3 LYS A 18 -0.752 -17.916 1.829 1.00 1.54 H new ATOM 0 HE2 LYS A 18 -3.054 -16.851 1.572 1.00 53.01 H new ATOM 0 HE3 LYS A 18 -2.921 -17.126 -0.154 1.00 53.01 H new ATOM 0 HZ1 LYS A 18 -4.124 -18.906 0.927 1.00 40.12 H new ATOM 0 HZ2 LYS A 18 -2.674 -19.500 0.271 1.00 40.12 H new ATOM 0 HZ3 LYS A 18 -2.803 -19.233 1.943 1.00 40.12 H new ATOM 302 N TYR A 19 -1.811 -12.053 -1.566 1.00 71.21 N ATOM 303 CA TYR A 19 -2.224 -11.283 -2.750 1.00 51.12 C ATOM 304 C TYR A 19 -1.935 -9.779 -2.580 1.00 32.30 C ATOM 305 O TYR A 19 -2.331 -8.964 -3.415 1.00 41.05 O ATOM 306 CB TYR A 19 -3.718 -11.513 -3.026 1.00 53.42 C ATOM 307 CG TYR A 19 -4.619 -11.241 -1.832 1.00 62.23 C ATOM 308 CD1 TYR A 19 -4.899 -12.243 -0.906 1.00 21.14 C ATOM 309 CD2 TYR A 19 -5.195 -9.988 -1.631 1.00 5.30 C ATOM 310 CE1 TYR A 19 -5.718 -12.004 0.180 1.00 34.42 C ATOM 311 CE2 TYR A 19 -6.015 -9.744 -0.544 1.00 50.45 C ATOM 312 CZ TYR A 19 -6.274 -10.756 0.357 1.00 61.31 C ATOM 313 OH TYR A 19 -7.093 -10.519 1.437 1.00 72.14 O ATOM 0 H TYR A 19 -2.273 -11.767 -0.703 1.00 71.21 H new ATOM 0 HA TYR A 19 -1.641 -11.634 -3.601 1.00 51.12 H new ATOM 0 HB2 TYR A 19 -4.026 -10.874 -3.853 1.00 53.42 H new ATOM 0 HB3 TYR A 19 -3.862 -12.544 -3.349 1.00 53.42 H new ATOM 0 HD1 TYR A 19 -4.468 -13.224 -1.040 1.00 21.14 H new ATOM 0 HD2 TYR A 19 -4.998 -9.194 -2.336 1.00 5.30 H new ATOM 0 HE1 TYR A 19 -5.922 -12.793 0.888 1.00 34.42 H new ATOM 0 HE2 TYR A 19 -6.450 -8.766 -0.401 1.00 50.45 H new ATOM 0 HH TYR A 19 -6.664 -10.853 2.252 1.00 72.14 H new ATOM 323 N GLY A 20 -1.241 -9.417 -1.502 1.00 3.25 N ATOM 324 CA GLY A 20 -0.924 -8.015 -1.251 1.00 74.45 C ATOM 325 C GLY A 20 -0.681 -7.699 0.223 1.00 51.22 C ATOM 326 O GLY A 20 -1.083 -8.453 1.104 1.00 31.20 O ATOM 0 H GLY A 20 -0.892 -10.067 -0.797 1.00 3.25 H new ATOM 0 HA2 GLY A 20 -0.037 -7.743 -1.823 1.00 74.45 H new ATOM 0 HA3 GLY A 20 -1.742 -7.395 -1.617 1.00 74.45 H new ATOM 330 N ALA A 21 -0.021 -6.580 0.492 1.00 30.33 N ATOM 331 CA ALA A 21 0.238 -6.143 1.868 1.00 30.32 C ATOM 332 C ALA A 21 -0.639 -4.940 2.246 1.00 75.01 C ATOM 333 O ALA A 21 -0.645 -3.925 1.550 1.00 74.22 O ATOM 334 CB ALA A 21 1.714 -5.790 2.039 1.00 73.44 C ATOM 0 H ALA A 21 0.348 -5.953 -0.223 1.00 30.33 H new ATOM 0 HA ALA A 21 -0.014 -6.967 2.535 1.00 30.32 H new ATOM 0 HB1 ALA A 21 1.894 -5.467 3.064 1.00 73.44 H new ATOM 0 HB2 ALA A 21 2.325 -6.666 1.822 1.00 73.44 H new ATOM 0 HB3 ALA A 21 1.977 -4.985 1.353 1.00 73.44 H new ATOM 340 N PHE A 22 -1.376 -5.053 3.351 1.00 23.52 N ATOM 341 CA PHE A 22 -2.210 -3.945 3.829 1.00 71.00 C ATOM 342 C PHE A 22 -1.357 -2.879 4.528 1.00 62.30 C ATOM 343 O PHE A 22 -0.679 -3.158 5.519 1.00 41.32 O ATOM 344 CB PHE A 22 -3.319 -4.452 4.764 1.00 1.35 C ATOM 345 CG PHE A 22 -4.436 -5.160 4.035 1.00 31.20 C ATOM 346 CD1 PHE A 22 -5.529 -4.448 3.555 1.00 42.02 C ATOM 347 CD2 PHE A 22 -4.394 -6.529 3.823 1.00 1.14 C ATOM 348 CE1 PHE A 22 -6.554 -5.088 2.883 1.00 61.10 C ATOM 349 CE2 PHE A 22 -5.417 -7.173 3.152 1.00 63.34 C ATOM 350 CZ PHE A 22 -6.497 -6.452 2.681 1.00 11.22 C ATOM 0 H PHE A 22 -1.414 -5.892 3.929 1.00 23.52 H new ATOM 0 HA PHE A 22 -2.684 -3.486 2.961 1.00 71.00 H new ATOM 0 HB2 PHE A 22 -2.884 -5.132 5.497 1.00 1.35 H new ATOM 0 HB3 PHE A 22 -3.732 -3.609 5.317 1.00 1.35 H new ATOM 0 HD1 PHE A 22 -5.578 -3.380 3.709 1.00 42.02 H new ATOM 0 HD2 PHE A 22 -3.552 -7.100 4.186 1.00 1.14 H new ATOM 0 HE1 PHE A 22 -7.398 -4.522 2.517 1.00 61.10 H new ATOM 0 HE2 PHE A 22 -5.372 -8.241 2.996 1.00 63.34 H new ATOM 0 HZ PHE A 22 -7.295 -6.955 2.156 1.00 11.22 H new ATOM 360 N ILE A 23 -1.391 -1.660 3.995 1.00 35.15 N ATOM 361 CA ILE A 23 -0.543 -0.569 4.482 1.00 20.53 C ATOM 362 C ILE A 23 -1.372 0.666 4.877 1.00 72.44 C ATOM 363 O ILE A 23 -2.238 1.111 4.125 1.00 53.12 O ATOM 364 CB ILE A 23 0.497 -0.165 3.399 1.00 30.41 C ATOM 365 CG1 ILE A 23 1.468 -1.326 3.126 1.00 23.11 C ATOM 366 CG2 ILE A 23 1.260 1.094 3.807 1.00 43.43 C ATOM 367 CD1 ILE A 23 2.518 -1.018 2.076 1.00 3.05 C ATOM 0 H ILE A 23 -2.001 -1.399 3.220 1.00 35.15 H new ATOM 0 HA ILE A 23 -0.027 -0.934 5.370 1.00 20.53 H new ATOM 0 HB ILE A 23 -0.044 0.058 2.479 1.00 30.41 H new ATOM 0 HG12 ILE A 23 1.968 -1.595 4.057 1.00 23.11 H new ATOM 0 HG13 ILE A 23 0.896 -2.198 2.808 1.00 23.11 H new ATOM 0 HG21 ILE A 23 1.980 1.351 3.030 1.00 43.43 H new ATOM 0 HG22 ILE A 23 0.559 1.918 3.939 1.00 43.43 H new ATOM 0 HG23 ILE A 23 1.787 0.913 4.744 1.00 43.43 H new ATOM 0 HD11 ILE A 23 3.163 -1.886 1.941 1.00 3.05 H new ATOM 0 HD12 ILE A 23 2.029 -0.779 1.132 1.00 3.05 H new ATOM 0 HD13 ILE A 23 3.117 -0.167 2.400 1.00 3.05 H new ATOM 379 N ASN A 24 -1.100 1.213 6.063 1.00 45.42 N ATOM 380 CA ASN A 24 -1.766 2.441 6.521 1.00 61.30 C ATOM 381 C ASN A 24 -0.959 3.691 6.136 1.00 44.34 C ATOM 382 O ASN A 24 0.224 3.809 6.471 1.00 51.14 O ATOM 383 CB ASN A 24 -1.965 2.431 8.046 1.00 62.43 C ATOM 384 CG ASN A 24 -2.910 1.345 8.526 1.00 60.43 C ATOM 385 OD1 ASN A 24 -3.795 0.901 7.803 1.00 63.52 O ATOM 386 ND2 ASN A 24 -2.745 0.929 9.766 1.00 61.33 N ATOM 0 H ASN A 24 -0.426 0.829 6.725 1.00 45.42 H new ATOM 0 HA ASN A 24 -2.738 2.474 6.029 1.00 61.30 H new ATOM 0 HB2 ASN A 24 -0.997 2.299 8.530 1.00 62.43 H new ATOM 0 HB3 ASN A 24 -2.349 3.401 8.361 1.00 62.43 H new ATOM 0 HD21 ASN A 24 -3.364 0.216 10.151 1.00 61.33 H new ATOM 0 HD22 ASN A 24 -1.998 1.320 10.340 1.00 61.33 H new ATOM 393 N LEU A 25 -1.601 4.621 5.431 1.00 21.14 N ATOM 394 CA LEU A 25 -0.995 5.930 5.140 1.00 43.20 C ATOM 395 C LEU A 25 -1.335 6.934 6.248 1.00 75.42 C ATOM 396 O LEU A 25 -0.570 7.859 6.533 1.00 44.54 O ATOM 397 CB LEU A 25 -1.498 6.487 3.799 1.00 74.35 C ATOM 398 CG LEU A 25 -1.201 5.636 2.559 1.00 65.23 C ATOM 399 CD1 LEU A 25 -1.704 6.346 1.303 1.00 32.43 C ATOM 400 CD2 LEU A 25 0.294 5.331 2.450 1.00 33.40 C ATOM 0 H LEU A 25 -2.539 4.498 5.049 1.00 21.14 H new ATOM 0 HA LEU A 25 0.084 5.787 5.086 1.00 43.20 H new ATOM 0 HB2 LEU A 25 -2.577 6.626 3.869 1.00 74.35 H new ATOM 0 HB3 LEU A 25 -1.058 7.473 3.651 1.00 74.35 H new ATOM 0 HG LEU A 25 -1.727 4.686 2.657 1.00 65.23 H new ATOM 0 HD11 LEU A 25 -1.488 5.733 0.428 1.00 32.43 H new ATOM 0 HD12 LEU A 25 -2.780 6.503 1.380 1.00 32.43 H new ATOM 0 HD13 LEU A 25 -1.203 7.309 1.204 1.00 32.43 H new ATOM 0 HD21 LEU A 25 0.478 4.726 1.562 1.00 33.40 H new ATOM 0 HD22 LEU A 25 0.851 6.265 2.375 1.00 33.40 H new ATOM 0 HD23 LEU A 25 0.619 4.784 3.335 1.00 33.40 H new ATOM 412 N ASN A 26 -2.497 6.735 6.858 1.00 43.03 N ATOM 413 CA ASN A 26 -3.016 7.638 7.888 1.00 1.21 C ATOM 414 C ASN A 26 -3.913 6.872 8.871 1.00 73.13 C ATOM 415 O ASN A 26 -4.329 5.747 8.591 1.00 60.24 O ATOM 416 CB ASN A 26 -3.814 8.770 7.223 1.00 73.34 C ATOM 417 CG ASN A 26 -4.361 9.777 8.216 1.00 75.22 C ATOM 418 OD1 ASN A 26 -3.739 10.067 9.229 1.00 50.22 O ATOM 419 ND2 ASN A 26 -5.537 10.301 7.947 1.00 63.24 N ATOM 0 H ASN A 26 -3.109 5.944 6.655 1.00 43.03 H new ATOM 0 HA ASN A 26 -2.178 8.061 8.442 1.00 1.21 H new ATOM 0 HB2 ASN A 26 -3.174 9.286 6.507 1.00 73.34 H new ATOM 0 HB3 ASN A 26 -4.641 8.340 6.658 1.00 73.34 H new ATOM 0 HD21 ASN A 26 -5.957 10.971 8.592 1.00 63.24 H new ATOM 0 HD22 ASN A 26 -6.029 10.038 7.093 1.00 63.24 H new ATOM 426 N GLU A 27 -4.213 7.497 10.007 1.00 14.23 N ATOM 427 CA GLU A 27 -5.115 6.936 11.021 1.00 60.21 C ATOM 428 C GLU A 27 -6.383 6.302 10.407 1.00 51.23 C ATOM 429 O GLU A 27 -6.822 5.236 10.841 1.00 63.14 O ATOM 430 CB GLU A 27 -5.510 8.047 12.004 1.00 23.12 C ATOM 431 CG GLU A 27 -6.562 7.639 13.033 1.00 74.25 C ATOM 432 CD GLU A 27 -6.996 8.804 13.907 1.00 41.14 C ATOM 433 OE1 GLU A 27 -7.845 9.603 13.461 1.00 60.12 O ATOM 434 OE2 GLU A 27 -6.486 8.929 15.038 1.00 4.31 O ATOM 0 H GLU A 27 -3.837 8.412 10.255 1.00 14.23 H new ATOM 0 HA GLU A 27 -4.582 6.137 11.536 1.00 60.21 H new ATOM 0 HB2 GLU A 27 -4.617 8.383 12.530 1.00 23.12 H new ATOM 0 HB3 GLU A 27 -5.886 8.899 11.437 1.00 23.12 H new ATOM 0 HG2 GLU A 27 -7.431 7.230 12.518 1.00 74.25 H new ATOM 0 HG3 GLU A 27 -6.162 6.844 13.663 1.00 74.25 H new ATOM 441 N GLN A 28 -6.980 6.965 9.414 1.00 33.31 N ATOM 442 CA GLN A 28 -8.204 6.455 8.773 1.00 71.11 C ATOM 443 C GLN A 28 -7.975 5.964 7.329 1.00 2.52 C ATOM 444 O GLN A 28 -8.926 5.580 6.647 1.00 63.32 O ATOM 445 CB GLN A 28 -9.285 7.546 8.778 1.00 54.23 C ATOM 446 CG GLN A 28 -9.758 7.945 10.174 1.00 3.45 C ATOM 447 CD GLN A 28 -10.390 6.789 10.934 1.00 70.23 C ATOM 448 OE1 GLN A 28 -9.584 6.038 11.656 1.00 33.21 O flip ATOM 449 NE2 GLN A 28 -11.593 6.562 10.862 1.00 14.43 N flip ATOM 0 H GLN A 28 -6.642 7.850 9.035 1.00 33.31 H new ATOM 0 HA GLN A 28 -8.526 5.592 9.355 1.00 71.11 H new ATOM 0 HB2 GLN A 28 -8.897 8.429 8.271 1.00 54.23 H new ATOM 0 HB3 GLN A 28 -10.142 7.197 8.201 1.00 54.23 H new ATOM 0 HG2 GLN A 28 -8.912 8.329 10.744 1.00 3.45 H new ATOM 0 HG3 GLN A 28 -10.480 8.757 10.090 1.00 3.45 H new ATOM 0 HE21 GLN A 28 -12.192 7.162 10.295 1.00 14.43 H new ATOM 0 HE22 GLN A 28 -11.995 5.774 11.370 1.00 14.43 H new ATOM 458 N VAL A 29 -6.725 5.952 6.868 1.00 32.33 N ATOM 459 CA VAL A 29 -6.429 5.583 5.474 1.00 1.54 C ATOM 460 C VAL A 29 -5.624 4.276 5.374 1.00 3.33 C ATOM 461 O VAL A 29 -4.410 4.259 5.600 1.00 64.44 O ATOM 462 CB VAL A 29 -5.662 6.710 4.733 1.00 51.53 C ATOM 463 CG1 VAL A 29 -5.329 6.290 3.302 1.00 23.40 C ATOM 464 CG2 VAL A 29 -6.464 8.010 4.746 1.00 23.23 C ATOM 0 H VAL A 29 -5.906 6.190 7.427 1.00 32.33 H new ATOM 0 HA VAL A 29 -7.396 5.432 4.995 1.00 1.54 H new ATOM 0 HB VAL A 29 -4.724 6.886 5.260 1.00 51.53 H new ATOM 0 HG11 VAL A 29 -4.791 7.096 2.802 1.00 23.40 H new ATOM 0 HG12 VAL A 29 -4.706 5.395 3.321 1.00 23.40 H new ATOM 0 HG13 VAL A 29 -6.251 6.079 2.761 1.00 23.40 H new ATOM 0 HG21 VAL A 29 -5.907 8.786 4.221 1.00 23.23 H new ATOM 0 HG22 VAL A 29 -7.422 7.852 4.250 1.00 23.23 H new ATOM 0 HG23 VAL A 29 -6.636 8.321 5.776 1.00 23.23 H new ATOM 474 N ARG A 30 -6.317 3.187 5.037 1.00 43.35 N ATOM 475 CA ARG A 30 -5.681 1.885 4.787 1.00 51.25 C ATOM 476 C ARG A 30 -5.748 1.526 3.290 1.00 61.31 C ATOM 477 O ARG A 30 -6.736 1.824 2.618 1.00 15.33 O ATOM 478 CB ARG A 30 -6.380 0.792 5.612 1.00 64.54 C ATOM 479 CG ARG A 30 -5.784 -0.605 5.439 1.00 62.45 C ATOM 480 CD ARG A 30 -6.603 -1.659 6.178 1.00 12.42 C ATOM 481 NE ARG A 30 -6.687 -1.382 7.611 1.00 73.11 N ATOM 482 CZ ARG A 30 -7.787 -1.437 8.312 1.00 53.23 C ATOM 483 NH1 ARG A 30 -8.910 -1.783 7.765 1.00 22.12 N ATOM 484 NH2 ARG A 30 -7.755 -1.151 9.570 1.00 45.51 N ATOM 0 H ARG A 30 -7.331 3.179 4.929 1.00 43.35 H new ATOM 0 HA ARG A 30 -4.635 1.951 5.085 1.00 51.25 H new ATOM 0 HB2 ARG A 30 -6.336 1.065 6.666 1.00 64.54 H new ATOM 0 HB3 ARG A 30 -7.434 0.762 5.334 1.00 64.54 H new ATOM 0 HG2 ARG A 30 -5.741 -0.854 4.379 1.00 62.45 H new ATOM 0 HG3 ARG A 30 -4.759 -0.613 5.810 1.00 62.45 H new ATOM 0 HD2 ARG A 30 -7.608 -1.698 5.757 1.00 12.42 H new ATOM 0 HD3 ARG A 30 -6.154 -2.640 6.024 1.00 12.42 H new ATOM 0 HE ARG A 30 -5.827 -1.128 8.097 1.00 73.11 H new ATOM 0 HH11 ARG A 30 -8.943 -2.017 6.773 1.00 22.12 H new ATOM 0 HH12 ARG A 30 -9.761 -1.821 8.327 1.00 22.12 H new ATOM 0 HH21 ARG A 30 -6.874 -0.884 10.010 1.00 45.51 H new ATOM 0 HH22 ARG A 30 -8.610 -1.192 10.124 1.00 45.51 H new ATOM 498 N GLY A 31 -4.700 0.884 2.773 1.00 50.34 N ATOM 499 CA GLY A 31 -4.685 0.469 1.370 1.00 11.30 C ATOM 500 C GLY A 31 -4.022 -0.891 1.153 1.00 14.01 C ATOM 501 O GLY A 31 -3.660 -1.573 2.113 1.00 0.43 O ATOM 0 H GLY A 31 -3.859 0.642 3.298 1.00 50.34 H new ATOM 0 HA2 GLY A 31 -5.709 0.431 0.998 1.00 11.30 H new ATOM 0 HA3 GLY A 31 -4.160 1.221 0.781 1.00 11.30 H new ATOM 505 N LEU A 32 -3.846 -1.279 -0.111 1.00 42.35 N ATOM 506 CA LEU A 32 -3.287 -2.595 -0.453 1.00 4.53 C ATOM 507 C LEU A 32 -2.135 -2.484 -1.475 1.00 63.53 C ATOM 508 O LEU A 32 -2.316 -1.974 -2.581 1.00 63.20 O ATOM 509 CB LEU A 32 -4.396 -3.503 -1.013 1.00 34.32 C ATOM 510 CG LEU A 32 -3.979 -4.959 -1.294 1.00 32.02 C ATOM 511 CD1 LEU A 32 -3.569 -5.664 -0.004 1.00 31.41 C ATOM 512 CD2 LEU A 32 -5.107 -5.721 -1.992 1.00 51.23 C ATOM 0 H LEU A 32 -4.082 -0.702 -0.918 1.00 42.35 H new ATOM 0 HA LEU A 32 -2.879 -3.029 0.460 1.00 4.53 H new ATOM 0 HB2 LEU A 32 -5.227 -3.511 -0.307 1.00 34.32 H new ATOM 0 HB3 LEU A 32 -4.768 -3.064 -1.939 1.00 34.32 H new ATOM 0 HG LEU A 32 -3.117 -4.942 -1.960 1.00 32.02 H new ATOM 0 HD11 LEU A 32 -3.279 -6.691 -0.227 1.00 31.41 H new ATOM 0 HD12 LEU A 32 -2.727 -5.138 0.446 1.00 31.41 H new ATOM 0 HD13 LEU A 32 -4.408 -5.667 0.691 1.00 31.41 H new ATOM 0 HD21 LEU A 32 -4.791 -6.747 -2.181 1.00 51.23 H new ATOM 0 HD22 LEU A 32 -5.992 -5.725 -1.355 1.00 51.23 H new ATOM 0 HD23 LEU A 32 -5.344 -5.234 -2.938 1.00 51.23 H new ATOM 524 N LEU A 33 -0.958 -2.972 -1.089 1.00 72.11 N ATOM 525 CA LEU A 33 0.219 -2.999 -1.971 1.00 12.01 C ATOM 526 C LEU A 33 0.346 -4.372 -2.660 1.00 63.51 C ATOM 527 O LEU A 33 0.535 -5.391 -1.997 1.00 23.14 O ATOM 528 CB LEU A 33 1.476 -2.688 -1.145 1.00 21.14 C ATOM 529 CG LEU A 33 2.807 -2.692 -1.911 1.00 45.05 C ATOM 530 CD1 LEU A 33 2.776 -1.708 -3.078 1.00 71.05 C ATOM 531 CD2 LEU A 33 3.958 -2.367 -0.962 1.00 71.41 C ATOM 0 H LEU A 33 -0.788 -3.360 -0.161 1.00 72.11 H new ATOM 0 HA LEU A 33 0.106 -2.244 -2.749 1.00 12.01 H new ATOM 0 HB2 LEU A 33 1.349 -1.709 -0.683 1.00 21.14 H new ATOM 0 HB3 LEU A 33 1.544 -3.416 -0.336 1.00 21.14 H new ATOM 0 HG LEU A 33 2.961 -3.689 -2.324 1.00 45.05 H new ATOM 0 HD11 LEU A 33 3.732 -1.733 -3.601 1.00 71.05 H new ATOM 0 HD12 LEU A 33 1.978 -1.986 -3.767 1.00 71.05 H new ATOM 0 HD13 LEU A 33 2.596 -0.701 -2.701 1.00 71.05 H new ATOM 0 HD21 LEU A 33 4.898 -2.372 -1.514 1.00 71.41 H new ATOM 0 HD22 LEU A 33 3.801 -1.382 -0.523 1.00 71.41 H new ATOM 0 HD23 LEU A 33 3.999 -3.115 -0.170 1.00 71.41 H new ATOM 543 N ARG A 34 0.243 -4.392 -3.992 1.00 15.54 N ATOM 544 CA ARG A 34 0.173 -5.657 -4.746 1.00 72.21 C ATOM 545 C ARG A 34 1.547 -6.097 -5.300 1.00 73.35 C ATOM 546 O ARG A 34 2.380 -5.264 -5.664 1.00 4.50 O ATOM 547 CB ARG A 34 -0.852 -5.527 -5.883 1.00 21.01 C ATOM 548 CG ARG A 34 -2.239 -5.106 -5.398 1.00 44.25 C ATOM 549 CD ARG A 34 -3.279 -5.147 -6.515 1.00 72.22 C ATOM 550 NE ARG A 34 -4.582 -4.658 -6.060 1.00 61.11 N ATOM 551 CZ ARG A 34 -5.624 -5.416 -5.837 1.00 32.23 C ATOM 552 NH1 ARG A 34 -5.561 -6.699 -6.018 1.00 33.12 N ATOM 553 NH2 ARG A 34 -6.731 -4.879 -5.422 1.00 10.22 N ATOM 0 H ARG A 34 0.206 -3.554 -4.572 1.00 15.54 H new ATOM 0 HA ARG A 34 -0.145 -6.435 -4.052 1.00 72.21 H new ATOM 0 HB2 ARG A 34 -0.491 -4.797 -6.608 1.00 21.01 H new ATOM 0 HB3 ARG A 34 -0.930 -6.481 -6.404 1.00 21.01 H new ATOM 0 HG2 ARG A 34 -2.553 -5.763 -4.587 1.00 44.25 H new ATOM 0 HG3 ARG A 34 -2.188 -4.097 -4.989 1.00 44.25 H new ATOM 0 HD2 ARG A 34 -2.936 -4.542 -7.354 1.00 72.22 H new ATOM 0 HD3 ARG A 34 -3.381 -6.169 -6.880 1.00 72.22 H new ATOM 0 HE ARG A 34 -4.684 -3.655 -5.906 1.00 61.11 H new ATOM 0 HH11 ARG A 34 -4.692 -7.127 -6.338 1.00 33.12 H new ATOM 0 HH12 ARG A 34 -6.380 -7.280 -5.841 1.00 33.12 H new ATOM 0 HH21 ARG A 34 -6.784 -3.872 -5.272 1.00 10.22 H new ATOM 0 HH22 ARG A 34 -7.547 -5.465 -5.246 1.00 10.22 H new ATOM 567 N PRO A 35 1.784 -7.432 -5.385 1.00 43.22 N ATOM 568 CA PRO A 35 3.085 -8.007 -5.802 1.00 4.22 C ATOM 569 C PRO A 35 3.628 -7.470 -7.142 1.00 53.35 C ATOM 570 O PRO A 35 4.802 -7.094 -7.238 1.00 13.31 O ATOM 571 CB PRO A 35 2.788 -9.509 -5.923 1.00 13.13 C ATOM 572 CG PRO A 35 1.615 -9.750 -5.038 1.00 51.44 C ATOM 573 CD PRO A 35 0.795 -8.488 -5.076 1.00 41.25 C ATOM 0 HA PRO A 35 3.861 -7.746 -5.083 1.00 4.22 H new ATOM 0 HB2 PRO A 35 2.566 -9.784 -6.954 1.00 13.13 H new ATOM 0 HB3 PRO A 35 3.645 -10.106 -5.611 1.00 13.13 H new ATOM 0 HG2 PRO A 35 1.033 -10.603 -5.387 1.00 51.44 H new ATOM 0 HG3 PRO A 35 1.935 -9.976 -4.021 1.00 51.44 H new ATOM 0 HD2 PRO A 35 0.016 -8.540 -5.836 1.00 41.25 H new ATOM 0 HD3 PRO A 35 0.299 -8.305 -4.123 1.00 41.25 H new ATOM 581 N ARG A 36 2.783 -7.451 -8.173 1.00 14.21 N ATOM 582 CA ARG A 36 3.207 -7.036 -9.518 1.00 53.55 C ATOM 583 C ARG A 36 3.707 -5.582 -9.563 1.00 0.04 C ATOM 584 O ARG A 36 4.557 -5.236 -10.386 1.00 14.32 O ATOM 585 CB ARG A 36 2.060 -7.226 -10.519 1.00 61.23 C ATOM 586 CG ARG A 36 1.749 -8.687 -10.829 1.00 4.04 C ATOM 587 CD ARG A 36 0.508 -8.829 -11.705 1.00 33.13 C ATOM 588 NE ARG A 36 0.532 -7.919 -12.849 1.00 54.42 N ATOM 589 CZ ARG A 36 0.985 -8.225 -14.033 1.00 23.45 C ATOM 590 NH1 ARG A 36 1.516 -9.385 -14.269 1.00 34.23 N ATOM 591 NH2 ARG A 36 0.923 -7.353 -14.982 1.00 11.41 N ATOM 0 H ARG A 36 1.801 -7.717 -8.107 1.00 14.21 H new ATOM 0 HA ARG A 36 4.047 -7.673 -9.794 1.00 53.55 H new ATOM 0 HB2 ARG A 36 1.163 -6.749 -10.124 1.00 61.23 H new ATOM 0 HB3 ARG A 36 2.312 -6.713 -11.447 1.00 61.23 H new ATOM 0 HG2 ARG A 36 2.603 -9.141 -11.332 1.00 4.04 H new ATOM 0 HG3 ARG A 36 1.600 -9.233 -9.897 1.00 4.04 H new ATOM 0 HD2 ARG A 36 0.433 -9.856 -12.062 1.00 33.13 H new ATOM 0 HD3 ARG A 36 -0.382 -8.634 -11.106 1.00 33.13 H new ATOM 0 HE ARG A 36 0.168 -6.976 -12.711 1.00 54.42 H new ATOM 0 HH11 ARG A 36 1.585 -10.076 -13.522 1.00 34.23 H new ATOM 0 HH12 ARG A 36 1.865 -9.606 -15.202 1.00 34.23 H new ATOM 0 HH21 ARG A 36 0.522 -6.432 -14.803 1.00 11.41 H new ATOM 0 HH22 ARG A 36 1.275 -7.584 -15.911 1.00 11.41 H new ATOM 605 N ASP A 37 3.193 -4.739 -8.672 1.00 3.01 N ATOM 606 CA ASP A 37 3.565 -3.322 -8.645 1.00 40.34 C ATOM 607 C ASP A 37 4.739 -3.050 -7.693 1.00 54.03 C ATOM 608 O ASP A 37 5.041 -1.900 -7.371 1.00 25.41 O ATOM 609 CB ASP A 37 2.346 -2.481 -8.269 1.00 54.35 C ATOM 610 CG ASP A 37 1.264 -2.578 -9.327 1.00 25.42 C ATOM 611 OD1 ASP A 37 1.386 -1.889 -10.365 1.00 30.43 O ATOM 612 OD2 ASP A 37 0.312 -3.362 -9.148 1.00 63.04 O ATOM 0 H ASP A 37 2.517 -5.010 -7.958 1.00 3.01 H new ATOM 0 HA ASP A 37 3.903 -3.040 -9.642 1.00 40.34 H new ATOM 0 HB2 ASP A 37 1.951 -2.817 -7.310 1.00 54.35 H new ATOM 0 HB3 ASP A 37 2.644 -1.440 -8.144 1.00 54.35 H new ATOM 617 N MET A 38 5.409 -4.113 -7.257 1.00 22.44 N ATOM 618 CA MET A 38 6.612 -3.988 -6.430 1.00 65.32 C ATOM 619 C MET A 38 7.878 -3.920 -7.303 1.00 61.02 C ATOM 620 O MET A 38 7.953 -4.561 -8.353 1.00 71.13 O ATOM 621 CB MET A 38 6.707 -5.169 -5.457 1.00 10.22 C ATOM 622 CG MET A 38 5.534 -5.254 -4.493 1.00 11.05 C ATOM 623 SD MET A 38 5.403 -3.807 -3.426 1.00 50.32 S ATOM 624 CE MET A 38 6.835 -4.005 -2.369 1.00 3.15 C ATOM 0 H MET A 38 5.140 -5.075 -7.462 1.00 22.44 H new ATOM 0 HA MET A 38 6.540 -3.061 -5.862 1.00 65.32 H new ATOM 0 HB2 MET A 38 6.767 -6.096 -6.027 1.00 10.22 H new ATOM 0 HB3 MET A 38 7.632 -5.086 -4.886 1.00 10.22 H new ATOM 0 HG2 MET A 38 4.610 -5.366 -5.061 1.00 11.05 H new ATOM 0 HG3 MET A 38 5.640 -6.147 -3.876 1.00 11.05 H new ATOM 0 HE1 MET A 38 6.664 -3.490 -1.424 1.00 3.15 H new ATOM 0 HE2 MET A 38 7.003 -5.065 -2.179 1.00 3.15 H new ATOM 0 HE3 MET A 38 7.711 -3.581 -2.860 1.00 3.15 H new ATOM 634 N ILE A 39 8.866 -3.130 -6.872 1.00 33.20 N ATOM 635 CA ILE A 39 10.137 -3.002 -7.609 1.00 73.30 C ATOM 636 C ILE A 39 11.308 -3.663 -6.856 1.00 22.24 C ATOM 637 O ILE A 39 11.742 -4.761 -7.200 1.00 45.21 O ATOM 638 CB ILE A 39 10.491 -1.514 -7.884 1.00 51.31 C ATOM 639 CG1 ILE A 39 9.334 -0.800 -8.603 1.00 53.35 C ATOM 640 CG2 ILE A 39 11.780 -1.401 -8.700 1.00 74.41 C ATOM 641 CD1 ILE A 39 8.997 -1.371 -9.966 1.00 14.31 C ATOM 0 H ILE A 39 8.816 -2.570 -6.021 1.00 33.20 H new ATOM 0 HA ILE A 39 9.990 -3.518 -8.558 1.00 73.30 H new ATOM 0 HB ILE A 39 10.651 -1.025 -6.923 1.00 51.31 H new ATOM 0 HG12 ILE A 39 8.446 -0.848 -7.973 1.00 53.35 H new ATOM 0 HG13 ILE A 39 9.588 0.254 -8.717 1.00 53.35 H new ATOM 0 HG21 ILE A 39 12.006 -0.350 -8.879 1.00 74.41 H new ATOM 0 HG22 ILE A 39 12.601 -1.860 -8.149 1.00 74.41 H new ATOM 0 HG23 ILE A 39 11.653 -1.913 -9.654 1.00 74.41 H new ATOM 0 HD11 ILE A 39 8.171 -0.809 -10.402 1.00 14.31 H new ATOM 0 HD12 ILE A 39 9.869 -1.298 -10.617 1.00 14.31 H new ATOM 0 HD13 ILE A 39 8.709 -2.417 -9.861 1.00 14.31 H new ATOM 653 N SER A 40 11.828 -2.978 -5.833 1.00 11.51 N ATOM 654 CA SER A 40 12.962 -3.492 -5.046 1.00 13.23 C ATOM 655 C SER A 40 12.512 -4.517 -3.999 1.00 35.55 C ATOM 656 O SER A 40 13.109 -5.587 -3.863 1.00 5.51 O ATOM 657 CB SER A 40 13.698 -2.338 -4.350 1.00 3.22 C ATOM 658 OG SER A 40 14.188 -1.394 -5.293 1.00 41.02 O ATOM 0 H SER A 40 11.485 -2.067 -5.528 1.00 11.51 H new ATOM 0 HA SER A 40 13.637 -3.991 -5.742 1.00 13.23 H new ATOM 0 HB2 SER A 40 13.023 -1.842 -3.653 1.00 3.22 H new ATOM 0 HB3 SER A 40 14.527 -2.734 -3.764 1.00 3.22 H new ATOM 0 HG SER A 40 14.650 -0.670 -4.821 1.00 41.02 H new ATOM 664 N LEU A 41 11.466 -4.177 -3.250 1.00 11.10 N ATOM 665 CA LEU A 41 10.926 -5.066 -2.212 1.00 34.32 C ATOM 666 C LEU A 41 9.833 -5.994 -2.761 1.00 22.15 C ATOM 667 O LEU A 41 9.040 -5.597 -3.604 1.00 1.04 O ATOM 668 CB LEU A 41 10.351 -4.233 -1.054 1.00 65.01 C ATOM 669 CG LEU A 41 11.386 -3.501 -0.188 1.00 51.05 C ATOM 670 CD1 LEU A 41 10.699 -2.598 0.832 1.00 73.52 C ATOM 671 CD2 LEU A 41 12.291 -4.507 0.516 1.00 53.13 C ATOM 0 H LEU A 41 10.970 -3.290 -3.339 1.00 11.10 H new ATOM 0 HA LEU A 41 11.748 -5.687 -1.856 1.00 34.32 H new ATOM 0 HB2 LEU A 41 9.662 -3.496 -1.467 1.00 65.01 H new ATOM 0 HB3 LEU A 41 9.766 -4.891 -0.412 1.00 65.01 H new ATOM 0 HG LEU A 41 11.997 -2.875 -0.839 1.00 51.05 H new ATOM 0 HD11 LEU A 41 11.452 -2.090 1.434 1.00 73.52 H new ATOM 0 HD12 LEU A 41 10.091 -1.858 0.312 1.00 73.52 H new ATOM 0 HD13 LEU A 41 10.062 -3.200 1.480 1.00 73.52 H new ATOM 0 HD21 LEU A 41 13.020 -3.975 1.127 1.00 53.13 H new ATOM 0 HD22 LEU A 41 11.689 -5.155 1.152 1.00 53.13 H new ATOM 0 HD23 LEU A 41 12.812 -5.111 -0.227 1.00 53.13 H new ATOM 683 N ARG A 42 9.817 -7.239 -2.293 1.00 5.24 N ATOM 684 CA ARG A 42 8.719 -8.174 -2.579 1.00 41.54 C ATOM 685 C ARG A 42 7.991 -8.547 -1.280 1.00 50.15 C ATOM 686 O ARG A 42 8.568 -8.443 -0.198 1.00 64.23 O ATOM 687 CB ARG A 42 9.261 -9.436 -3.270 1.00 0.34 C ATOM 688 CG ARG A 42 9.920 -9.162 -4.619 1.00 33.34 C ATOM 689 CD ARG A 42 8.925 -8.590 -5.625 1.00 25.24 C ATOM 690 NE ARG A 42 9.574 -8.189 -6.870 1.00 50.34 N ATOM 691 CZ ARG A 42 8.970 -7.582 -7.857 1.00 4.24 C ATOM 692 NH1 ARG A 42 7.694 -7.357 -7.821 1.00 21.02 N ATOM 693 NH2 ARG A 42 9.650 -7.216 -8.891 1.00 12.32 N ATOM 0 H ARG A 42 10.556 -7.631 -1.709 1.00 5.24 H new ATOM 0 HA ARG A 42 8.010 -7.689 -3.250 1.00 41.54 H new ATOM 0 HB2 ARG A 42 9.986 -9.917 -2.613 1.00 0.34 H new ATOM 0 HB3 ARG A 42 8.442 -10.142 -3.412 1.00 0.34 H new ATOM 0 HG2 ARG A 42 10.746 -8.463 -4.486 1.00 33.34 H new ATOM 0 HG3 ARG A 42 10.344 -10.086 -5.012 1.00 33.34 H new ATOM 0 HD2 ARG A 42 8.158 -9.334 -5.840 1.00 25.24 H new ATOM 0 HD3 ARG A 42 8.420 -7.730 -5.186 1.00 25.24 H new ATOM 0 HE ARG A 42 10.567 -8.397 -6.977 1.00 50.34 H new ATOM 0 HH11 ARG A 42 7.146 -7.655 -7.014 1.00 21.02 H new ATOM 0 HH12 ARG A 42 7.238 -6.882 -8.600 1.00 21.02 H new ATOM 0 HH21 ARG A 42 10.652 -7.401 -8.934 1.00 12.32 H new ATOM 0 HH22 ARG A 42 9.185 -6.742 -9.665 1.00 12.32 H new ATOM 707 N LEU A 43 6.737 -9.000 -1.384 1.00 13.42 N ATOM 708 CA LEU A 43 5.938 -9.349 -0.194 1.00 5.03 C ATOM 709 C LEU A 43 6.657 -10.383 0.683 1.00 52.20 C ATOM 710 O LEU A 43 6.463 -10.432 1.897 1.00 53.03 O ATOM 711 CB LEU A 43 4.560 -9.894 -0.597 1.00 65.54 C ATOM 712 CG LEU A 43 3.674 -8.942 -1.415 1.00 41.13 C ATOM 713 CD1 LEU A 43 2.301 -9.559 -1.641 1.00 44.44 C ATOM 714 CD2 LEU A 43 3.542 -7.584 -0.729 1.00 31.10 C ATOM 0 H LEU A 43 6.252 -9.134 -2.271 1.00 13.42 H new ATOM 0 HA LEU A 43 5.808 -8.433 0.382 1.00 5.03 H new ATOM 0 HB2 LEU A 43 4.707 -10.808 -1.173 1.00 65.54 H new ATOM 0 HB3 LEU A 43 4.022 -10.172 0.309 1.00 65.54 H new ATOM 0 HG LEU A 43 4.152 -8.784 -2.382 1.00 41.13 H new ATOM 0 HD11 LEU A 43 1.685 -8.873 -2.222 1.00 44.44 H new ATOM 0 HD12 LEU A 43 2.409 -10.498 -2.184 1.00 44.44 H new ATOM 0 HD13 LEU A 43 1.825 -9.749 -0.679 1.00 44.44 H new ATOM 0 HD21 LEU A 43 2.909 -6.932 -1.331 1.00 31.10 H new ATOM 0 HD22 LEU A 43 3.094 -7.716 0.256 1.00 31.10 H new ATOM 0 HD23 LEU A 43 4.529 -7.134 -0.621 1.00 31.10 H new ATOM 726 N GLU A 44 7.491 -11.200 0.050 1.00 73.44 N ATOM 727 CA GLU A 44 8.273 -12.224 0.752 1.00 32.50 C ATOM 728 C GLU A 44 9.196 -11.604 1.814 1.00 11.25 C ATOM 729 O GLU A 44 9.431 -12.189 2.872 1.00 63.34 O ATOM 730 CB GLU A 44 9.104 -13.013 -0.266 1.00 61.30 C ATOM 731 CG GLU A 44 8.273 -13.581 -1.410 1.00 65.54 C ATOM 732 CD GLU A 44 9.114 -14.273 -2.470 1.00 11.40 C ATOM 733 OE1 GLU A 44 9.362 -15.488 -2.337 1.00 35.11 O ATOM 734 OE2 GLU A 44 9.508 -13.609 -3.451 1.00 65.14 O ATOM 0 H GLU A 44 7.647 -11.176 -0.958 1.00 73.44 H new ATOM 0 HA GLU A 44 7.580 -12.891 1.266 1.00 32.50 H new ATOM 0 HB2 GLU A 44 9.877 -12.363 -0.675 1.00 61.30 H new ATOM 0 HB3 GLU A 44 9.612 -13.830 0.245 1.00 61.30 H new ATOM 0 HG2 GLU A 44 7.549 -14.290 -1.008 1.00 65.54 H new ATOM 0 HG3 GLU A 44 7.705 -12.775 -1.874 1.00 65.54 H new ATOM 741 N ASN A 45 9.693 -10.402 1.531 1.00 53.43 N ATOM 742 CA ASN A 45 10.664 -9.729 2.404 1.00 23.35 C ATOM 743 C ASN A 45 9.999 -8.697 3.330 1.00 62.24 C ATOM 744 O ASN A 45 10.659 -8.091 4.173 1.00 3.02 O ATOM 745 CB ASN A 45 11.726 -9.039 1.547 1.00 25.22 C ATOM 746 CG ASN A 45 12.358 -9.984 0.546 1.00 21.43 C ATOM 747 OD1 ASN A 45 12.475 -11.181 0.784 1.00 44.32 O ATOM 748 ND2 ASN A 45 12.761 -9.458 -0.586 1.00 21.12 N ATOM 0 H ASN A 45 9.440 -9.868 0.700 1.00 53.43 H new ATOM 0 HA ASN A 45 11.121 -10.490 3.037 1.00 23.35 H new ATOM 0 HB2 ASN A 45 11.274 -8.201 1.017 1.00 25.22 H new ATOM 0 HB3 ASN A 45 12.501 -8.627 2.194 1.00 25.22 H new ATOM 0 HD21 ASN A 45 13.187 -10.049 -1.300 1.00 21.12 H new ATOM 0 HD22 ASN A 45 12.649 -8.458 -0.752 1.00 21.12 H new ATOM 755 N LEU A 46 8.694 -8.496 3.173 1.00 3.24 N ATOM 756 CA LEU A 46 7.971 -7.499 3.968 1.00 3.45 C ATOM 757 C LEU A 46 7.434 -8.104 5.271 1.00 41.24 C ATOM 758 O LEU A 46 6.977 -9.249 5.296 1.00 71.45 O ATOM 759 CB LEU A 46 6.816 -6.901 3.152 1.00 53.42 C ATOM 760 CG LEU A 46 7.210 -6.315 1.786 1.00 74.33 C ATOM 761 CD1 LEU A 46 6.024 -5.602 1.141 1.00 33.44 C ATOM 762 CD2 LEU A 46 8.407 -5.376 1.920 1.00 4.43 C ATOM 0 H LEU A 46 8.114 -9.006 2.506 1.00 3.24 H new ATOM 0 HA LEU A 46 8.675 -6.708 4.227 1.00 3.45 H new ATOM 0 HB2 LEU A 46 6.066 -7.676 2.994 1.00 53.42 H new ATOM 0 HB3 LEU A 46 6.344 -6.116 3.743 1.00 53.42 H new ATOM 0 HG LEU A 46 7.503 -7.139 1.135 1.00 74.33 H new ATOM 0 HD11 LEU A 46 6.325 -5.195 0.176 1.00 33.44 H new ATOM 0 HD12 LEU A 46 5.208 -6.310 0.998 1.00 33.44 H new ATOM 0 HD13 LEU A 46 5.691 -4.791 1.789 1.00 33.44 H new ATOM 0 HD21 LEU A 46 8.666 -4.975 0.940 1.00 4.43 H new ATOM 0 HD22 LEU A 46 8.153 -4.556 2.592 1.00 4.43 H new ATOM 0 HD23 LEU A 46 9.257 -5.926 2.323 1.00 4.43 H new ATOM 774 N ASN A 47 7.515 -7.336 6.353 1.00 64.14 N ATOM 775 CA ASN A 47 7.014 -7.764 7.665 1.00 53.12 C ATOM 776 C ASN A 47 6.062 -6.716 8.268 1.00 32.13 C ATOM 777 O ASN A 47 6.023 -5.563 7.829 1.00 11.33 O ATOM 778 CB ASN A 47 8.193 -8.016 8.613 1.00 30.03 C ATOM 779 CG ASN A 47 9.087 -9.148 8.137 1.00 0.02 C ATOM 780 OD1 ASN A 47 8.914 -10.300 8.523 1.00 20.54 O ATOM 781 ND2 ASN A 47 10.044 -8.837 7.287 1.00 53.42 N ATOM 0 H ASN A 47 7.927 -6.403 6.351 1.00 64.14 H new ATOM 0 HA ASN A 47 6.452 -8.688 7.532 1.00 53.12 H new ATOM 0 HB2 ASN A 47 8.783 -7.104 8.704 1.00 30.03 H new ATOM 0 HB3 ASN A 47 7.813 -8.251 9.607 1.00 30.03 H new ATOM 0 HD21 ASN A 47 10.666 -9.563 6.931 1.00 53.42 H new ATOM 0 HD22 ASN A 47 10.163 -7.870 6.984 1.00 53.42 H new ATOM 788 N VAL A 48 5.291 -7.124 9.273 1.00 74.44 N ATOM 789 CA VAL A 48 4.349 -6.222 9.945 1.00 62.43 C ATOM 790 C VAL A 48 5.081 -5.126 10.737 1.00 31.12 C ATOM 791 O VAL A 48 5.744 -5.401 11.735 1.00 33.44 O ATOM 792 CB VAL A 48 3.413 -7.004 10.905 1.00 13.04 C ATOM 793 CG1 VAL A 48 2.531 -6.050 11.709 1.00 2.13 C ATOM 794 CG2 VAL A 48 2.563 -8.007 10.126 1.00 12.10 C ATOM 0 H VAL A 48 5.298 -8.074 9.643 1.00 74.44 H new ATOM 0 HA VAL A 48 3.753 -5.752 9.163 1.00 62.43 H new ATOM 0 HB VAL A 48 4.034 -7.557 11.610 1.00 13.04 H new ATOM 0 HG11 VAL A 48 1.885 -6.624 12.373 1.00 2.13 H new ATOM 0 HG12 VAL A 48 3.160 -5.384 12.300 1.00 2.13 H new ATOM 0 HG13 VAL A 48 1.918 -5.460 11.028 1.00 2.13 H new ATOM 0 HG21 VAL A 48 1.913 -8.546 10.815 1.00 12.10 H new ATOM 0 HG22 VAL A 48 1.955 -7.477 9.393 1.00 12.10 H new ATOM 0 HG23 VAL A 48 3.214 -8.715 9.613 1.00 12.10 H new ATOM 804 N GLY A 49 4.940 -3.879 10.296 1.00 55.21 N ATOM 805 CA GLY A 49 5.568 -2.759 10.991 1.00 13.45 C ATOM 806 C GLY A 49 6.632 -2.038 10.168 1.00 10.23 C ATOM 807 O GLY A 49 7.187 -1.033 10.614 1.00 32.53 O ATOM 0 H GLY A 49 4.402 -3.620 9.469 1.00 55.21 H new ATOM 0 HA2 GLY A 49 4.797 -2.043 11.277 1.00 13.45 H new ATOM 0 HA3 GLY A 49 6.021 -3.124 11.913 1.00 13.45 H new ATOM 811 N ASP A 50 6.918 -2.542 8.970 1.00 42.23 N ATOM 812 CA ASP A 50 7.903 -1.911 8.087 1.00 34.10 C ATOM 813 C ASP A 50 7.312 -0.704 7.342 1.00 5.43 C ATOM 814 O ASP A 50 6.183 -0.757 6.846 1.00 30.14 O ATOM 815 CB ASP A 50 8.438 -2.930 7.075 1.00 51.21 C ATOM 816 CG ASP A 50 9.202 -4.069 7.730 1.00 60.45 C ATOM 817 OD1 ASP A 50 9.809 -3.847 8.802 1.00 35.21 O ATOM 818 OD2 ASP A 50 9.230 -5.179 7.162 1.00 32.14 O ATOM 0 H ASP A 50 6.485 -3.382 8.587 1.00 42.23 H new ATOM 0 HA ASP A 50 8.720 -1.553 8.714 1.00 34.10 H new ATOM 0 HB2 ASP A 50 7.605 -3.339 6.504 1.00 51.21 H new ATOM 0 HB3 ASP A 50 9.091 -2.422 6.366 1.00 51.21 H new ATOM 823 N GLU A 51 8.079 0.383 7.279 1.00 70.13 N ATOM 824 CA GLU A 51 7.688 1.561 6.497 1.00 40.04 C ATOM 825 C GLU A 51 8.036 1.371 5.015 1.00 64.12 C ATOM 826 O GLU A 51 9.119 0.885 4.680 1.00 3.43 O ATOM 827 CB GLU A 51 8.390 2.825 7.010 1.00 21.00 C ATOM 828 CG GLU A 51 8.003 3.242 8.422 1.00 31.54 C ATOM 829 CD GLU A 51 8.639 4.566 8.819 1.00 41.42 C ATOM 830 OE1 GLU A 51 8.037 5.626 8.543 1.00 55.22 O ATOM 831 OE2 GLU A 51 9.754 4.557 9.381 1.00 1.13 O ATOM 0 H GLU A 51 8.974 0.475 7.759 1.00 70.13 H new ATOM 0 HA GLU A 51 6.610 1.678 6.609 1.00 40.04 H new ATOM 0 HB2 GLU A 51 9.468 2.664 6.976 1.00 21.00 H new ATOM 0 HB3 GLU A 51 8.169 3.648 6.330 1.00 21.00 H new ATOM 0 HG2 GLU A 51 6.918 3.326 8.491 1.00 31.54 H new ATOM 0 HG3 GLU A 51 8.309 2.467 9.125 1.00 31.54 H new ATOM 838 N ILE A 52 7.122 1.761 4.133 1.00 52.31 N ATOM 839 CA ILE A 52 7.343 1.658 2.686 1.00 70.22 C ATOM 840 C ILE A 52 6.808 2.897 1.952 1.00 43.41 C ATOM 841 O ILE A 52 5.708 3.377 2.239 1.00 24.43 O ATOM 842 CB ILE A 52 6.675 0.381 2.096 1.00 61.43 C ATOM 843 CG1 ILE A 52 7.272 -0.886 2.738 1.00 55.01 C ATOM 844 CG2 ILE A 52 6.835 0.337 0.577 1.00 63.40 C ATOM 845 CD1 ILE A 52 6.713 -2.184 2.191 1.00 33.44 C ATOM 0 H ILE A 52 6.217 2.153 4.391 1.00 52.31 H new ATOM 0 HA ILE A 52 8.421 1.592 2.536 1.00 70.22 H new ATOM 0 HB ILE A 52 5.610 0.417 2.326 1.00 61.43 H new ATOM 0 HG12 ILE A 52 8.352 -0.879 2.592 1.00 55.01 H new ATOM 0 HG13 ILE A 52 7.095 -0.852 3.813 1.00 55.01 H new ATOM 0 HG21 ILE A 52 6.361 -0.564 0.187 1.00 63.40 H new ATOM 0 HG22 ILE A 52 6.364 1.215 0.136 1.00 63.40 H new ATOM 0 HG23 ILE A 52 7.895 0.328 0.323 1.00 63.40 H new ATOM 0 HD11 ILE A 52 7.186 -3.026 2.697 1.00 33.44 H new ATOM 0 HD12 ILE A 52 5.637 -2.217 2.361 1.00 33.44 H new ATOM 0 HD13 ILE A 52 6.913 -2.244 1.121 1.00 33.44 H new ATOM 857 N ILE A 53 7.601 3.420 1.016 1.00 10.13 N ATOM 858 CA ILE A 53 7.178 4.548 0.180 1.00 24.05 C ATOM 859 C ILE A 53 6.363 4.049 -1.022 1.00 1.43 C ATOM 860 O ILE A 53 6.896 3.393 -1.920 1.00 13.02 O ATOM 861 CB ILE A 53 8.394 5.368 -0.327 1.00 43.03 C ATOM 862 CG1 ILE A 53 9.231 5.877 0.862 1.00 14.50 C ATOM 863 CG2 ILE A 53 7.933 6.534 -1.205 1.00 20.51 C ATOM 864 CD1 ILE A 53 10.463 6.663 0.457 1.00 54.33 C ATOM 0 H ILE A 53 8.542 3.081 0.816 1.00 10.13 H new ATOM 0 HA ILE A 53 6.557 5.197 0.798 1.00 24.05 H new ATOM 0 HB ILE A 53 9.021 4.715 -0.935 1.00 43.03 H new ATOM 0 HG12 ILE A 53 8.603 6.506 1.493 1.00 14.50 H new ATOM 0 HG13 ILE A 53 9.539 5.025 1.468 1.00 14.50 H new ATOM 0 HG21 ILE A 53 8.801 7.096 -1.550 1.00 20.51 H new ATOM 0 HG22 ILE A 53 7.386 6.148 -2.065 1.00 20.51 H new ATOM 0 HG23 ILE A 53 7.283 7.190 -0.626 1.00 20.51 H new ATOM 0 HD11 ILE A 53 10.998 6.986 1.350 1.00 54.33 H new ATOM 0 HD12 ILE A 53 11.114 6.032 -0.148 1.00 54.33 H new ATOM 0 HD13 ILE A 53 10.163 7.536 -0.122 1.00 54.33 H new ATOM 876 N VAL A 54 5.068 4.351 -1.029 1.00 71.42 N ATOM 877 CA VAL A 54 4.164 3.864 -2.076 1.00 40.32 C ATOM 878 C VAL A 54 3.395 5.003 -2.758 1.00 12.14 C ATOM 879 O VAL A 54 3.101 6.035 -2.150 1.00 62.11 O ATOM 880 CB VAL A 54 3.143 2.840 -1.508 1.00 65.10 C ATOM 881 CG1 VAL A 54 3.848 1.566 -1.043 1.00 52.11 C ATOM 882 CG2 VAL A 54 2.334 3.459 -0.367 1.00 40.23 C ATOM 0 H VAL A 54 4.617 4.931 -0.322 1.00 71.42 H new ATOM 0 HA VAL A 54 4.798 3.378 -2.818 1.00 40.32 H new ATOM 0 HB VAL A 54 2.454 2.571 -2.308 1.00 65.10 H new ATOM 0 HG11 VAL A 54 3.111 0.865 -0.650 1.00 52.11 H new ATOM 0 HG12 VAL A 54 4.369 1.110 -1.885 1.00 52.11 H new ATOM 0 HG13 VAL A 54 4.567 1.813 -0.262 1.00 52.11 H new ATOM 0 HG21 VAL A 54 1.625 2.725 0.016 1.00 40.23 H new ATOM 0 HG22 VAL A 54 3.008 3.764 0.433 1.00 40.23 H new ATOM 0 HG23 VAL A 54 1.791 4.329 -0.736 1.00 40.23 H new ATOM 892 N GLN A 55 3.084 4.815 -4.035 1.00 64.52 N ATOM 893 CA GLN A 55 2.214 5.740 -4.761 1.00 45.32 C ATOM 894 C GLN A 55 0.796 5.157 -4.870 1.00 2.54 C ATOM 895 O GLN A 55 0.620 4.017 -5.309 1.00 75.01 O ATOM 896 CB GLN A 55 2.770 6.026 -6.166 1.00 14.24 C ATOM 897 CG GLN A 55 1.962 7.063 -6.948 1.00 10.53 C ATOM 898 CD GLN A 55 2.503 7.317 -8.344 1.00 11.10 C ATOM 899 OE1 GLN A 55 3.081 6.436 -8.971 1.00 12.30 O ATOM 900 NE2 GLN A 55 2.322 8.525 -8.842 1.00 20.52 N ATOM 0 H GLN A 55 3.421 4.030 -4.592 1.00 64.52 H new ATOM 0 HA GLN A 55 2.176 6.678 -4.207 1.00 45.32 H new ATOM 0 HB2 GLN A 55 3.799 6.373 -6.076 1.00 14.24 H new ATOM 0 HB3 GLN A 55 2.796 5.096 -6.733 1.00 14.24 H new ATOM 0 HG2 GLN A 55 0.928 6.727 -7.022 1.00 10.53 H new ATOM 0 HG3 GLN A 55 1.953 8.001 -6.393 1.00 10.53 H new ATOM 0 HE21 GLN A 55 1.837 9.235 -8.294 1.00 20.52 H new ATOM 0 HE22 GLN A 55 2.667 8.749 -9.775 1.00 20.52 H new ATOM 909 N ALA A 56 -0.207 5.927 -4.459 1.00 34.54 N ATOM 910 CA ALA A 56 -1.599 5.480 -4.537 1.00 51.11 C ATOM 911 C ALA A 56 -2.068 5.380 -5.996 1.00 70.03 C ATOM 912 O ALA A 56 -2.381 6.391 -6.624 1.00 73.25 O ATOM 913 CB ALA A 56 -2.500 6.427 -3.751 1.00 13.43 C ATOM 0 H ALA A 56 -0.085 6.862 -4.069 1.00 34.54 H new ATOM 0 HA ALA A 56 -1.662 4.485 -4.096 1.00 51.11 H new ATOM 0 HB1 ALA A 56 -3.533 6.085 -3.816 1.00 13.43 H new ATOM 0 HB2 ALA A 56 -2.188 6.443 -2.707 1.00 13.43 H new ATOM 0 HB3 ALA A 56 -2.424 7.431 -4.168 1.00 13.43 H new ATOM 919 N ILE A 57 -2.091 4.160 -6.532 1.00 72.03 N ATOM 920 CA ILE A 57 -2.533 3.921 -7.910 1.00 73.30 C ATOM 921 C ILE A 57 -3.981 4.396 -8.113 1.00 32.35 C ATOM 922 O ILE A 57 -4.238 5.380 -8.807 1.00 43.42 O ATOM 923 CB ILE A 57 -2.441 2.416 -8.283 1.00 55.55 C ATOM 924 CG1 ILE A 57 -1.022 1.877 -8.038 1.00 4.25 C ATOM 925 CG2 ILE A 57 -2.852 2.196 -9.737 1.00 1.42 C ATOM 926 CD1 ILE A 57 -0.868 0.398 -8.344 1.00 1.12 C ATOM 0 H ILE A 57 -1.808 3.317 -6.032 1.00 72.03 H new ATOM 0 HA ILE A 57 -1.868 4.490 -8.559 1.00 73.30 H new ATOM 0 HB ILE A 57 -3.130 1.866 -7.642 1.00 55.55 H new ATOM 0 HG12 ILE A 57 -0.318 2.441 -8.651 1.00 4.25 H new ATOM 0 HG13 ILE A 57 -0.751 2.053 -6.997 1.00 4.25 H new ATOM 0 HG21 ILE A 57 -2.781 1.136 -9.979 1.00 1.42 H new ATOM 0 HG22 ILE A 57 -3.879 2.533 -9.880 1.00 1.42 H new ATOM 0 HG23 ILE A 57 -2.190 2.763 -10.392 1.00 1.42 H new ATOM 0 HD11 ILE A 57 0.159 0.091 -8.147 1.00 1.12 H new ATOM 0 HD12 ILE A 57 -1.546 -0.177 -7.713 1.00 1.12 H new ATOM 0 HD13 ILE A 57 -1.107 0.217 -9.392 1.00 1.12 H new ATOM 938 N ASP A 58 -4.921 3.698 -7.482 1.00 24.24 N ATOM 939 CA ASP A 58 -6.339 4.046 -7.576 1.00 23.41 C ATOM 940 C ASP A 58 -6.970 4.182 -6.187 1.00 3.44 C ATOM 941 O ASP A 58 -6.837 3.299 -5.340 1.00 5.00 O ATOM 942 CB ASP A 58 -7.101 2.990 -8.389 1.00 51.33 C ATOM 943 CG ASP A 58 -6.747 3.024 -9.865 1.00 41.01 C ATOM 944 OD1 ASP A 58 -7.145 3.991 -10.549 1.00 14.44 O ATOM 945 OD2 ASP A 58 -6.071 2.093 -10.348 1.00 0.43 O ATOM 0 H ASP A 58 -4.727 2.885 -6.898 1.00 24.24 H new ATOM 0 HA ASP A 58 -6.409 5.008 -8.084 1.00 23.41 H new ATOM 0 HB2 ASP A 58 -6.881 2.000 -7.989 1.00 51.33 H new ATOM 0 HB3 ASP A 58 -8.173 3.150 -8.272 1.00 51.33 H new ATOM 950 N VAL A 59 -7.642 5.307 -5.961 1.00 54.44 N ATOM 951 CA VAL A 59 -8.419 5.518 -4.740 1.00 71.03 C ATOM 952 C VAL A 59 -9.905 5.298 -5.038 1.00 0.24 C ATOM 953 O VAL A 59 -10.556 6.141 -5.661 1.00 10.30 O ATOM 954 CB VAL A 59 -8.202 6.946 -4.170 1.00 73.22 C ATOM 955 CG1 VAL A 59 -9.041 7.177 -2.910 1.00 24.52 C ATOM 956 CG2 VAL A 59 -6.719 7.191 -3.890 1.00 11.21 C ATOM 0 H VAL A 59 -7.665 6.092 -6.611 1.00 54.44 H new ATOM 0 HA VAL A 59 -8.080 4.803 -3.990 1.00 71.03 H new ATOM 0 HB VAL A 59 -8.534 7.662 -4.922 1.00 73.22 H new ATOM 0 HG11 VAL A 59 -8.866 8.186 -2.536 1.00 24.52 H new ATOM 0 HG12 VAL A 59 -10.098 7.057 -3.149 1.00 24.52 H new ATOM 0 HG13 VAL A 59 -8.757 6.453 -2.146 1.00 24.52 H new ATOM 0 HG21 VAL A 59 -6.585 8.197 -3.491 1.00 11.21 H new ATOM 0 HG22 VAL A 59 -6.361 6.462 -3.163 1.00 11.21 H new ATOM 0 HG23 VAL A 59 -6.152 7.090 -4.816 1.00 11.21 H new ATOM 966 N ARG A 60 -10.435 4.158 -4.609 1.00 22.22 N ATOM 967 CA ARG A 60 -11.801 3.765 -4.965 1.00 73.12 C ATOM 968 C ARG A 60 -12.726 3.726 -3.737 1.00 43.11 C ATOM 969 O ARG A 60 -12.760 2.735 -3.003 1.00 51.25 O ATOM 970 CB ARG A 60 -11.779 2.390 -5.651 1.00 34.43 C ATOM 971 CG ARG A 60 -10.890 2.345 -6.890 1.00 11.33 C ATOM 972 CD ARG A 60 -10.798 0.938 -7.463 1.00 73.13 C ATOM 973 NE ARG A 60 -12.093 0.434 -7.912 1.00 43.23 N ATOM 974 CZ ARG A 60 -12.442 -0.820 -7.857 1.00 51.43 C ATOM 975 NH1 ARG A 60 -11.643 -1.703 -7.349 1.00 71.12 N ATOM 976 NH2 ARG A 60 -13.600 -1.188 -8.297 1.00 13.01 N ATOM 0 H ARG A 60 -9.944 3.489 -4.016 1.00 22.22 H new ATOM 0 HA ARG A 60 -12.198 4.515 -5.649 1.00 73.12 H new ATOM 0 HB2 ARG A 60 -11.433 1.642 -4.938 1.00 34.43 H new ATOM 0 HB3 ARG A 60 -12.796 2.116 -5.932 1.00 34.43 H new ATOM 0 HG2 ARG A 60 -11.286 3.022 -7.647 1.00 11.33 H new ATOM 0 HG3 ARG A 60 -9.892 2.701 -6.635 1.00 11.33 H new ATOM 0 HD2 ARG A 60 -10.100 0.934 -8.300 1.00 73.13 H new ATOM 0 HD3 ARG A 60 -10.392 0.266 -6.706 1.00 73.13 H new ATOM 0 HE ARG A 60 -12.763 1.103 -8.291 1.00 43.23 H new ATOM 0 HH11 ARG A 60 -10.732 -1.419 -6.988 1.00 71.12 H new ATOM 0 HH12 ARG A 60 -11.924 -2.683 -7.310 1.00 71.12 H new ATOM 0 HH21 ARG A 60 -14.241 -0.497 -8.687 1.00 13.01 H new ATOM 0 HH22 ARG A 60 -13.873 -2.170 -8.254 1.00 13.01 H new ATOM 990 N PRO A 61 -13.496 4.806 -3.497 1.00 60.34 N ATOM 991 CA PRO A 61 -14.489 4.843 -2.408 1.00 13.30 C ATOM 992 C PRO A 61 -15.652 3.866 -2.654 1.00 45.22 C ATOM 993 O PRO A 61 -16.344 3.457 -1.721 1.00 74.03 O ATOM 994 CB PRO A 61 -14.979 6.299 -2.420 1.00 44.32 C ATOM 995 CG PRO A 61 -14.695 6.784 -3.803 1.00 32.30 C ATOM 996 CD PRO A 61 -13.446 6.076 -4.245 1.00 71.14 C ATOM 0 HA PRO A 61 -14.065 4.539 -1.451 1.00 13.30 H new ATOM 0 HB2 PRO A 61 -16.043 6.361 -2.190 1.00 44.32 H new ATOM 0 HB3 PRO A 61 -14.456 6.899 -1.675 1.00 44.32 H new ATOM 0 HG2 PRO A 61 -15.526 6.562 -4.472 1.00 32.30 H new ATOM 0 HG3 PRO A 61 -14.555 7.865 -3.816 1.00 32.30 H new ATOM 0 HD2 PRO A 61 -13.438 5.909 -5.322 1.00 71.14 H new ATOM 0 HD3 PRO A 61 -12.551 6.650 -4.004 1.00 71.14 H new ATOM 1004 N GLU A 62 -15.842 3.486 -3.922 1.00 41.33 N ATOM 1005 CA GLU A 62 -16.860 2.495 -4.308 1.00 45.20 C ATOM 1006 C GLU A 62 -16.682 1.183 -3.527 1.00 75.44 C ATOM 1007 O GLU A 62 -17.651 0.524 -3.159 1.00 23.31 O ATOM 1008 CB GLU A 62 -16.760 2.209 -5.815 1.00 1.00 C ATOM 1009 CG GLU A 62 -15.429 1.584 -6.224 1.00 44.10 C ATOM 1010 CD GLU A 62 -15.324 1.319 -7.715 1.00 61.52 C ATOM 1011 OE1 GLU A 62 -15.992 0.385 -8.205 1.00 41.22 O ATOM 1012 OE2 GLU A 62 -14.558 2.029 -8.398 1.00 32.10 O ATOM 0 H GLU A 62 -15.301 3.851 -4.706 1.00 41.33 H new ATOM 0 HA GLU A 62 -17.841 2.907 -4.072 1.00 45.20 H new ATOM 0 HB2 GLU A 62 -17.571 1.542 -6.106 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -16.900 3.140 -6.365 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -14.617 2.245 -5.921 1.00 44.10 H new ATOM 0 HG3 GLU A 62 -15.295 0.646 -5.685 1.00 44.10 H new ATOM 1019 N LYS A 63 -15.425 0.812 -3.293 1.00 45.13 N ATOM 1020 CA LYS A 63 -15.086 -0.409 -2.555 1.00 31.45 C ATOM 1021 C LYS A 63 -14.288 -0.082 -1.286 1.00 41.31 C ATOM 1022 O LYS A 63 -13.940 -0.977 -0.516 1.00 31.34 O ATOM 1023 CB LYS A 63 -14.269 -1.351 -3.453 1.00 42.32 C ATOM 1024 CG LYS A 63 -15.037 -1.885 -4.660 1.00 0.02 C ATOM 1025 CD LYS A 63 -16.145 -2.852 -4.245 1.00 34.01 C ATOM 1026 CE LYS A 63 -16.904 -3.407 -5.446 1.00 13.41 C ATOM 1027 NZ LYS A 63 -16.026 -4.199 -6.347 1.00 1.25 N ATOM 0 H LYS A 63 -14.614 1.345 -3.607 1.00 45.13 H new ATOM 0 HA LYS A 63 -16.014 -0.898 -2.260 1.00 31.45 H new ATOM 0 HB2 LYS A 63 -13.383 -0.822 -3.805 1.00 42.32 H new ATOM 0 HB3 LYS A 63 -13.921 -2.194 -2.856 1.00 42.32 H new ATOM 0 HG2 LYS A 63 -15.470 -1.052 -5.213 1.00 0.02 H new ATOM 0 HG3 LYS A 63 -14.347 -2.391 -5.335 1.00 0.02 H new ATOM 0 HD2 LYS A 63 -15.712 -3.676 -3.678 1.00 34.01 H new ATOM 0 HD3 LYS A 63 -16.842 -2.340 -3.581 1.00 34.01 H new ATOM 0 HE2 LYS A 63 -17.724 -4.034 -5.097 1.00 13.41 H new ATOM 0 HE3 LYS A 63 -17.348 -2.584 -6.005 1.00 13.41 H new ATOM 0 HZ1 LYS A 63 -16.610 -4.708 -7.041 1.00 1.25 H new ATOM 0 HZ2 LYS A 63 -15.374 -3.561 -6.845 1.00 1.25 H new ATOM 0 HZ3 LYS A 63 -15.480 -4.883 -5.786 1.00 1.25 H new ATOM 1041 N ARG A 64 -14.009 1.211 -1.078 1.00 71.23 N ATOM 1042 CA ARG A 64 -13.166 1.671 0.037 1.00 1.10 C ATOM 1043 C ARG A 64 -11.737 1.115 -0.088 1.00 72.44 C ATOM 1044 O ARG A 64 -11.001 1.015 0.898 1.00 41.03 O ATOM 1045 CB ARG A 64 -13.788 1.259 1.382 1.00 23.41 C ATOM 1046 CG ARG A 64 -15.192 1.812 1.606 1.00 52.44 C ATOM 1047 CD ARG A 64 -15.809 1.279 2.895 1.00 24.42 C ATOM 1048 NE ARG A 64 -15.914 -0.180 2.892 1.00 61.12 N ATOM 1049 CZ ARG A 64 -15.959 -0.915 3.973 1.00 32.13 C ATOM 1050 NH1 ARG A 64 -15.895 -0.365 5.147 1.00 12.23 N ATOM 1051 NH2 ARG A 64 -16.057 -2.203 3.874 1.00 34.14 N ATOM 0 H ARG A 64 -14.357 1.964 -1.672 1.00 71.23 H new ATOM 0 HA ARG A 64 -13.110 2.759 -0.004 1.00 1.10 H new ATOM 0 HB2 ARG A 64 -13.823 0.171 1.437 1.00 23.41 H new ATOM 0 HB3 ARG A 64 -13.141 1.599 2.190 1.00 23.41 H new ATOM 0 HG2 ARG A 64 -15.153 2.901 1.644 1.00 52.44 H new ATOM 0 HG3 ARG A 64 -15.827 1.546 0.761 1.00 52.44 H new ATOM 0 HD2 ARG A 64 -15.204 1.597 3.744 1.00 24.42 H new ATOM 0 HD3 ARG A 64 -16.800 1.713 3.029 1.00 24.42 H new ATOM 0 HE ARG A 64 -15.955 -0.654 1.990 1.00 61.12 H new ATOM 0 HH11 ARG A 64 -15.809 0.648 5.232 1.00 12.23 H new ATOM 0 HH12 ARG A 64 -15.931 -0.946 5.985 1.00 12.23 H new ATOM 0 HH21 ARG A 64 -16.099 -2.642 2.954 1.00 34.14 H new ATOM 0 HH22 ARG A 64 -16.092 -2.778 4.716 1.00 34.14 H new ATOM 1065 N GLU A 65 -11.347 0.786 -1.318 1.00 4.42 N ATOM 1066 CA GLU A 65 -10.052 0.153 -1.589 1.00 11.53 C ATOM 1067 C GLU A 65 -9.087 1.112 -2.298 1.00 44.11 C ATOM 1068 O GLU A 65 -9.445 1.763 -3.284 1.00 32.53 O ATOM 1069 CB GLU A 65 -10.253 -1.111 -2.437 1.00 60.23 C ATOM 1070 CG GLU A 65 -11.157 -2.150 -1.776 1.00 23.34 C ATOM 1071 CD GLU A 65 -11.425 -3.370 -2.646 1.00 12.15 C ATOM 1072 OE1 GLU A 65 -11.196 -3.307 -3.873 1.00 73.54 O ATOM 1073 OE2 GLU A 65 -11.886 -4.396 -2.103 1.00 33.34 O ATOM 0 H GLU A 65 -11.913 0.948 -2.151 1.00 4.42 H new ATOM 0 HA GLU A 65 -9.608 -0.117 -0.631 1.00 11.53 H new ATOM 0 HB2 GLU A 65 -10.680 -0.829 -3.400 1.00 60.23 H new ATOM 0 HB3 GLU A 65 -9.281 -1.562 -2.639 1.00 60.23 H new ATOM 0 HG2 GLU A 65 -10.700 -2.475 -0.841 1.00 23.34 H new ATOM 0 HG3 GLU A 65 -12.107 -1.682 -1.520 1.00 23.34 H new ATOM 1080 N ILE A 66 -7.864 1.210 -1.774 1.00 51.52 N ATOM 1081 CA ILE A 66 -6.809 2.028 -2.387 1.00 65.20 C ATOM 1082 C ILE A 66 -5.607 1.156 -2.790 1.00 63.22 C ATOM 1083 O ILE A 66 -4.966 0.533 -1.941 1.00 75.41 O ATOM 1084 CB ILE A 66 -6.331 3.150 -1.423 1.00 63.32 C ATOM 1085 CG1 ILE A 66 -7.524 4.006 -0.956 1.00 1.11 C ATOM 1086 CG2 ILE A 66 -5.274 4.027 -2.098 1.00 70.51 C ATOM 1087 CD1 ILE A 66 -7.151 5.109 0.016 1.00 4.30 C ATOM 0 H ILE A 66 -7.576 0.731 -0.921 1.00 51.52 H new ATOM 0 HA ILE A 66 -7.235 2.490 -3.278 1.00 65.20 H new ATOM 0 HB ILE A 66 -5.880 2.681 -0.549 1.00 63.32 H new ATOM 0 HG12 ILE A 66 -8.002 4.451 -1.829 1.00 1.11 H new ATOM 0 HG13 ILE A 66 -8.262 3.356 -0.486 1.00 1.11 H new ATOM 0 HG21 ILE A 66 -4.952 4.806 -1.407 1.00 70.51 H new ATOM 0 HG22 ILE A 66 -4.417 3.414 -2.378 1.00 70.51 H new ATOM 0 HG23 ILE A 66 -5.698 4.486 -2.991 1.00 70.51 H new ATOM 0 HD11 ILE A 66 -8.046 5.665 0.296 1.00 4.30 H new ATOM 0 HD12 ILE A 66 -6.702 4.672 0.908 1.00 4.30 H new ATOM 0 HD13 ILE A 66 -6.437 5.784 -0.456 1.00 4.30 H new ATOM 1099 N ASP A 67 -5.301 1.115 -4.084 1.00 63.41 N ATOM 1100 CA ASP A 67 -4.187 0.304 -4.590 1.00 12.33 C ATOM 1101 C ASP A 67 -2.860 1.067 -4.488 1.00 71.51 C ATOM 1102 O ASP A 67 -2.791 2.255 -4.802 1.00 54.11 O ATOM 1103 CB ASP A 67 -4.440 -0.099 -6.048 1.00 45.31 C ATOM 1104 CG ASP A 67 -5.706 -0.920 -6.213 1.00 52.33 C ATOM 1105 OD1 ASP A 67 -5.724 -2.093 -5.782 1.00 30.21 O ATOM 1106 OD2 ASP A 67 -6.692 -0.403 -6.774 1.00 74.11 O ATOM 0 H ASP A 67 -5.806 1.632 -4.804 1.00 63.41 H new ATOM 0 HA ASP A 67 -4.120 -0.593 -3.975 1.00 12.33 H new ATOM 0 HB2 ASP A 67 -4.510 0.798 -6.663 1.00 45.31 H new ATOM 0 HB3 ASP A 67 -3.589 -0.672 -6.416 1.00 45.31 H new ATOM 1111 N PHE A 68 -1.808 0.383 -4.042 1.00 62.20 N ATOM 1112 CA PHE A 68 -0.482 1.003 -3.907 1.00 72.23 C ATOM 1113 C PHE A 68 0.535 0.411 -4.891 1.00 43.31 C ATOM 1114 O PHE A 68 0.444 -0.754 -5.279 1.00 73.22 O ATOM 1115 CB PHE A 68 0.058 0.836 -2.482 1.00 64.33 C ATOM 1116 CG PHE A 68 -0.733 1.561 -1.425 1.00 42.52 C ATOM 1117 CD1 PHE A 68 -1.310 2.793 -1.691 1.00 3.23 C ATOM 1118 CD2 PHE A 68 -0.879 1.017 -0.158 1.00 51.32 C ATOM 1119 CE1 PHE A 68 -2.018 3.464 -0.717 1.00 71.31 C ATOM 1120 CE2 PHE A 68 -1.587 1.685 0.820 1.00 14.10 C ATOM 1121 CZ PHE A 68 -2.159 2.911 0.540 1.00 31.42 C ATOM 0 H PHE A 68 -1.843 -0.599 -3.767 1.00 62.20 H new ATOM 0 HA PHE A 68 -0.613 2.061 -4.134 1.00 72.23 H new ATOM 0 HB2 PHE A 68 0.079 -0.226 -2.237 1.00 64.33 H new ATOM 0 HB3 PHE A 68 1.088 1.190 -2.454 1.00 64.33 H new ATOM 0 HD1 PHE A 68 -1.204 3.232 -2.672 1.00 3.23 H new ATOM 0 HD2 PHE A 68 -0.433 0.059 0.066 1.00 51.32 H new ATOM 0 HE1 PHE A 68 -2.463 4.423 -0.937 1.00 71.31 H new ATOM 0 HE2 PHE A 68 -1.694 1.250 1.803 1.00 14.10 H new ATOM 0 HZ PHE A 68 -2.715 3.436 1.303 1.00 31.42 H new ATOM 1131 N LYS A 69 1.506 1.234 -5.275 1.00 52.00 N ATOM 1132 CA LYS A 69 2.631 0.798 -6.110 1.00 15.14 C ATOM 1133 C LYS A 69 3.961 1.149 -5.429 1.00 53.53 C ATOM 1134 O LYS A 69 4.083 2.210 -4.813 1.00 0.45 O ATOM 1135 CB LYS A 69 2.554 1.471 -7.488 1.00 23.42 C ATOM 1136 CG LYS A 69 3.720 1.136 -8.417 1.00 54.31 C ATOM 1137 CD LYS A 69 3.565 1.804 -9.783 1.00 44.44 C ATOM 1138 CE LYS A 69 3.505 3.325 -9.675 1.00 23.32 C ATOM 1139 NZ LYS A 69 3.330 3.971 -11.004 1.00 71.12 N ATOM 0 H LYS A 69 1.539 2.221 -5.019 1.00 52.00 H new ATOM 0 HA LYS A 69 2.575 -0.283 -6.239 1.00 15.14 H new ATOM 0 HB2 LYS A 69 1.623 1.176 -7.972 1.00 23.42 H new ATOM 0 HB3 LYS A 69 2.513 2.551 -7.350 1.00 23.42 H new ATOM 0 HG2 LYS A 69 4.655 1.458 -7.958 1.00 54.31 H new ATOM 0 HG3 LYS A 69 3.784 0.055 -8.546 1.00 54.31 H new ATOM 0 HD2 LYS A 69 4.401 1.519 -10.422 1.00 44.44 H new ATOM 0 HD3 LYS A 69 2.657 1.439 -10.264 1.00 44.44 H new ATOM 0 HE2 LYS A 69 2.680 3.610 -9.022 1.00 23.32 H new ATOM 0 HE3 LYS A 69 4.420 3.692 -9.211 1.00 23.32 H new ATOM 0 HZ1 LYS A 69 3.294 5.004 -10.886 1.00 71.12 H new ATOM 0 HZ2 LYS A 69 4.130 3.720 -11.620 1.00 71.12 H new ATOM 0 HZ3 LYS A 69 2.444 3.641 -11.436 1.00 71.12 H new ATOM 1153 N TYR A 70 4.958 0.276 -5.552 1.00 74.41 N ATOM 1154 CA TYR A 70 6.265 0.511 -4.925 1.00 61.04 C ATOM 1155 C TYR A 70 7.178 1.319 -5.853 1.00 63.23 C ATOM 1156 O TYR A 70 7.373 0.968 -7.016 1.00 63.23 O ATOM 1157 CB TYR A 70 6.948 -0.817 -4.560 1.00 3.12 C ATOM 1158 CG TYR A 70 8.278 -0.638 -3.845 1.00 64.30 C ATOM 1159 CD1 TYR A 70 9.463 -0.501 -4.561 1.00 11.12 C ATOM 1160 CD2 TYR A 70 8.346 -0.590 -2.459 1.00 13.10 C ATOM 1161 CE1 TYR A 70 10.670 -0.320 -3.918 1.00 64.42 C ATOM 1162 CE2 TYR A 70 9.552 -0.412 -1.807 1.00 31.41 C ATOM 1163 CZ TYR A 70 10.712 -0.275 -2.542 1.00 12.23 C ATOM 1164 OH TYR A 70 11.917 -0.094 -1.900 1.00 44.01 O ATOM 0 H TYR A 70 4.891 -0.597 -6.076 1.00 74.41 H new ATOM 0 HA TYR A 70 6.093 1.081 -4.012 1.00 61.04 H new ATOM 0 HB2 TYR A 70 6.279 -1.398 -3.926 1.00 3.12 H new ATOM 0 HB3 TYR A 70 7.108 -1.396 -5.469 1.00 3.12 H new ATOM 0 HD1 TYR A 70 9.437 -0.537 -5.640 1.00 11.12 H new ATOM 0 HD2 TYR A 70 7.440 -0.694 -1.880 1.00 13.10 H new ATOM 0 HE1 TYR A 70 11.579 -0.214 -4.492 1.00 64.42 H new ATOM 0 HE2 TYR A 70 9.586 -0.380 -0.728 1.00 31.41 H new ATOM 0 HH TYR A 70 11.773 -0.085 -0.931 1.00 44.01 H new ATOM 1174 N ILE A 71 7.739 2.399 -5.324 1.00 53.01 N ATOM 1175 CA ILE A 71 8.611 3.285 -6.099 1.00 13.44 C ATOM 1176 C ILE A 71 9.903 3.617 -5.328 1.00 14.13 C ATOM 1177 O ILE A 71 9.919 3.609 -4.095 1.00 4.14 O ATOM 1178 CB ILE A 71 7.872 4.597 -6.463 1.00 12.21 C ATOM 1179 CG1 ILE A 71 7.232 5.208 -5.201 1.00 71.20 C ATOM 1180 CG2 ILE A 71 6.821 4.343 -7.548 1.00 34.35 C ATOM 1181 CD1 ILE A 71 6.467 6.487 -5.457 1.00 75.42 C ATOM 0 H ILE A 71 7.607 2.687 -4.355 1.00 53.01 H new ATOM 0 HA ILE A 71 8.880 2.758 -7.014 1.00 13.44 H new ATOM 0 HB ILE A 71 8.594 5.309 -6.862 1.00 12.21 H new ATOM 0 HG12 ILE A 71 6.557 4.476 -4.757 1.00 71.20 H new ATOM 0 HG13 ILE A 71 8.015 5.405 -4.468 1.00 71.20 H new ATOM 0 HG21 ILE A 71 6.314 5.277 -7.789 1.00 34.35 H new ATOM 0 HG22 ILE A 71 7.308 3.953 -8.442 1.00 34.35 H new ATOM 0 HG23 ILE A 71 6.093 3.617 -7.186 1.00 34.35 H new ATOM 0 HD11 ILE A 71 6.047 6.854 -4.520 1.00 75.42 H new ATOM 0 HD12 ILE A 71 7.141 7.237 -5.871 1.00 75.42 H new ATOM 0 HD13 ILE A 71 5.661 6.293 -6.165 1.00 75.42 H new