USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 617 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 46 HIS : no HD1:sc= -6.82! C(o=-6.8!,f=-8.2!) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 4 LYS NZ :NH3+ -175:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 5 HIS : no HE2:sc= 0.196 K(o=1.5,f=-6.9!) USER MOD Single : A 6 SER OG : rot 152:sc= 1.21 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 105:sc= 1.73 USER MOD Single : A 11 THR OG1 : rot -88:sc= 1.26 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 20 THR OG1 : rot 95:sc= 0.113 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 23 CYS SG : rot 75:sc= 0.00741 USER MOD Single : A 24 ASN : amide:sc= -2.13! K(o=-2.1!,f=-0.012) USER MOD Single : A 27 THR OG1 : rot 133:sc= -0.0548 USER MOD Single : A 28 SER OG : rot 171:sc= -0.125 USER MOD Single : A 29 SER OG : rot 13:sc= 1.05 USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= -1.64! (180deg=-2.08!) USER MOD Single : A 38 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 39 HIS : no HE2:sc= -2.7 X(o=-2.7,f=-2.2) USER MOD Single : A 43 MET CE :methyl -178:sc= -1.62 (180deg=-1.66) USER MOD Single : A 44 THR OG1 : rot 2:sc= 0.551 USER MOD Single : A 50 SER OG : rot -40:sc= 0.199 USER MOD Single : A 54 TYR OH : rot -30:sc= -0.0144 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= -0.401 (180deg=-0.545) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.312 USER MOD Single : A 69 ASN : amide:sc= -0.0999 K(o=-0.1,f=-0.7) USER MOD Single : A 70 THR OG1 : rot 47:sc= 0.997 USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= -6.1! (180deg=-6.52!) USER MOD Single : A 73 GLN : amide:sc= 0.482 X(o=0.48,f=0) USER MOD Single : A 78 ASN : amide:sc= -1.65 X(o=-1.7,f=-1.8) USER MOD Single : A 80 LYS NZ :NH3+ -141:sc= -0.525 (180deg=-4.17!) USER MOD Single : A 81 SER OG : rot -120:sc= -1.24 USER MOD Single : A 84 LYS NZ :NH3+ -152:sc= -0.558! (180deg=-1.58!) USER MOD Single : A 85 GLN : amide:sc= 0.134 X(o=0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -1.910 3.025 10.489 1.00 0.00 N ATOM 36 CA LEU A 3 -1.015 3.545 9.506 1.00 0.00 C ATOM 37 C LEU A 3 0.248 2.741 9.769 1.00 0.00 C ATOM 38 O LEU A 3 0.156 1.514 9.802 1.00 0.00 O ATOM 39 CB LEU A 3 -0.933 5.081 9.667 1.00 0.00 C ATOM 40 CG LEU A 3 -1.865 5.742 8.652 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.165 7.193 9.009 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.201 5.722 7.277 1.00 0.00 C ATOM 0 HA LEU A 3 -1.294 3.437 8.458 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.216 5.368 10.680 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.091 5.421 9.514 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.801 5.183 8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.831 7.622 8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.644 7.235 9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.235 7.761 9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.861 6.192 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.259 6.269 7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.009 4.691 6.981 1.00 0.00 H new ATOM 54 N LYS A 4 1.373 3.413 10.011 1.00 0.00 N ATOM 55 CA LYS A 4 2.631 2.961 10.572 1.00 0.00 C ATOM 56 C LYS A 4 3.680 4.030 10.377 1.00 0.00 C ATOM 57 O LYS A 4 3.414 5.129 9.894 1.00 0.00 O ATOM 58 CB LYS A 4 3.088 1.599 10.041 1.00 0.00 C ATOM 59 CG LYS A 4 3.286 0.635 11.209 1.00 0.00 C ATOM 60 CD LYS A 4 1.979 0.244 11.900 1.00 0.00 C ATOM 61 CE LYS A 4 2.131 -0.388 13.275 1.00 0.00 C ATOM 62 NZ LYS A 4 2.292 0.626 14.333 1.00 0.00 N ATOM 0 H LYS A 4 1.422 4.407 9.789 1.00 0.00 H new ATOM 0 HA LYS A 4 2.476 2.800 11.639 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.347 1.200 9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.019 1.708 9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.781 -0.266 10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.952 1.093 11.940 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.358 1.134 11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.442 -0.452 11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.256 -1.002 13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.995 -1.053 13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.477 0.154 15.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.091 1.249 14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.422 1.191 14.408 1.00 0.00 H new ATOM 76 N HIS A 5 4.864 3.667 10.837 1.00 0.00 N ATOM 77 CA HIS A 5 6.104 4.419 10.803 1.00 0.00 C ATOM 78 C HIS A 5 7.059 3.859 9.781 1.00 0.00 C ATOM 79 O HIS A 5 7.974 4.509 9.292 1.00 0.00 O ATOM 80 CB HIS A 5 6.754 4.405 12.190 1.00 0.00 C ATOM 81 CG HIS A 5 5.801 4.049 13.304 1.00 0.00 C ATOM 82 ND1 HIS A 5 4.754 4.814 13.775 1.00 0.00 N ATOM 83 CD2 HIS A 5 5.566 2.753 13.660 1.00 0.00 C ATOM 84 CE1 HIS A 5 3.903 3.985 14.406 1.00 0.00 C ATOM 85 NE2 HIS A 5 4.344 2.716 14.346 1.00 0.00 N ATOM 0 H HIS A 5 4.992 2.759 11.283 1.00 0.00 H new ATOM 0 HA HIS A 5 5.872 5.445 10.517 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.578 3.692 12.188 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.182 5.387 12.390 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.645 5.822 13.665 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.206 1.908 13.451 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.991 4.296 14.894 1.00 0.00 H new ATOM 93 N SER A 6 6.783 2.614 9.484 1.00 0.00 N ATOM 94 CA SER A 6 7.551 1.700 8.758 1.00 0.00 C ATOM 95 C SER A 6 6.636 0.738 8.085 1.00 0.00 C ATOM 96 O SER A 6 5.672 0.246 8.672 1.00 0.00 O ATOM 97 CB SER A 6 8.408 0.894 9.701 1.00 0.00 C ATOM 98 OG SER A 6 8.153 1.168 11.079 1.00 0.00 O ATOM 0 H SER A 6 5.907 2.193 9.793 1.00 0.00 H new ATOM 0 HA SER A 6 8.167 2.244 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.242 -0.167 9.513 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.458 1.095 9.487 1.00 0.00 H new ATOM 0 HG SER A 6 8.366 0.376 11.615 1.00 0.00 H new ATOM 104 N ILE A 7 7.131 0.280 6.955 1.00 0.00 N ATOM 105 CA ILE A 7 6.588 -0.846 6.247 1.00 0.00 C ATOM 106 C ILE A 7 6.685 -2.149 7.031 1.00 0.00 C ATOM 107 O ILE A 7 6.423 -3.221 6.513 1.00 0.00 O ATOM 108 CB ILE A 7 7.378 -0.927 4.945 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.511 -1.572 3.868 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.764 -1.580 5.136 1.00 0.00 C ATOM 111 CD1 ILE A 7 7.371 -1.877 2.684 1.00 0.00 C ATOM 0 H ILE A 7 7.942 0.695 6.497 1.00 0.00 H new ATOM 0 HA ILE A 7 5.520 -0.708 6.076 1.00 0.00 H new ATOM 0 HB ILE A 7 7.617 0.079 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.052 -2.485 4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.700 -0.902 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.285 -1.613 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.347 -0.995 5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.639 -2.594 5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.766 -2.339 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.809 -0.954 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.167 -2.561 2.979 1.00 0.00 H new ATOM 123 N SER A 8 7.173 -2.077 8.252 1.00 0.00 N ATOM 124 CA SER A 8 7.743 -3.145 8.974 1.00 0.00 C ATOM 125 C SER A 8 7.345 -3.106 10.414 1.00 0.00 C ATOM 126 O SER A 8 7.625 -4.056 11.138 1.00 0.00 O ATOM 127 CB SER A 8 9.201 -2.928 8.756 1.00 0.00 C ATOM 128 OG SER A 8 9.940 -2.268 9.762 1.00 0.00 O ATOM 0 H SER A 8 7.172 -1.205 8.782 1.00 0.00 H new ATOM 0 HA SER A 8 7.416 -4.133 8.650 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.661 -3.903 8.592 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.318 -2.361 7.832 1.00 0.00 H new ATOM 0 HG SER A 8 10.878 -2.197 9.486 1.00 0.00 H new ATOM 134 N ASP A 9 6.700 -2.008 10.819 1.00 0.00 N ATOM 135 CA ASP A 9 5.906 -2.082 12.009 1.00 0.00 C ATOM 136 C ASP A 9 4.551 -2.693 11.666 1.00 0.00 C ATOM 137 O ASP A 9 3.785 -2.995 12.580 1.00 0.00 O ATOM 138 CB ASP A 9 5.801 -0.696 12.648 1.00 0.00 C ATOM 139 CG ASP A 9 6.948 -0.500 13.637 1.00 0.00 C ATOM 140 OD1 ASP A 9 8.106 -0.444 13.157 1.00 0.00 O ATOM 141 OD2 ASP A 9 6.648 -0.382 14.843 1.00 0.00 O ATOM 0 H ASP A 9 6.719 -1.102 10.351 1.00 0.00 H new ATOM 0 HA ASP A 9 6.374 -2.730 12.750 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.836 0.074 11.878 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.844 -0.592 13.160 1.00 0.00 H new ATOM 146 N TYR A 10 4.267 -2.929 10.373 1.00 0.00 N ATOM 147 CA TYR A 10 3.100 -3.705 9.956 1.00 0.00 C ATOM 148 C TYR A 10 3.583 -4.899 9.133 1.00 0.00 C ATOM 149 O TYR A 10 4.712 -4.889 8.637 1.00 0.00 O ATOM 150 CB TYR A 10 2.021 -2.820 9.290 1.00 0.00 C ATOM 151 CG TYR A 10 2.203 -2.264 7.885 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.397 -2.443 7.182 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.141 -1.591 7.241 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.544 -1.975 5.881 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.320 -1.052 5.948 1.00 0.00 C ATOM 156 CZ TYR A 10 2.564 -1.171 5.298 1.00 0.00 C ATOM 157 OH TYR A 10 2.833 -0.600 4.096 1.00 0.00 O ATOM 0 H TYR A 10 4.838 -2.588 9.599 1.00 0.00 H new ATOM 0 HA TYR A 10 2.574 -4.112 10.820 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.097 -3.398 9.284 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.860 -1.967 9.949 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.221 -2.954 7.658 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.188 -1.488 7.739 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.426 -2.237 5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.501 -0.547 5.456 1.00 0.00 H new ATOM 0 HH TYR A 10 2.347 -1.077 3.391 1.00 0.00 H new ATOM 167 N THR A 11 2.797 -5.966 9.035 1.00 0.00 N ATOM 168 CA THR A 11 3.153 -7.126 8.227 1.00 0.00 C ATOM 169 C THR A 11 2.649 -6.947 6.802 1.00 0.00 C ATOM 170 O THR A 11 2.059 -5.940 6.407 1.00 0.00 O ATOM 171 CB THR A 11 2.709 -8.460 8.897 1.00 0.00 C ATOM 172 OG1 THR A 11 1.390 -8.816 8.526 1.00 0.00 O ATOM 173 CG2 THR A 11 2.770 -8.608 10.414 1.00 0.00 C ATOM 0 H THR A 11 1.899 -6.051 9.511 1.00 0.00 H new ATOM 0 HA THR A 11 4.239 -7.198 8.166 1.00 0.00 H new ATOM 0 HB THR A 11 3.490 -9.114 8.508 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.753 -8.402 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.423 -9.602 10.697 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.798 -8.473 10.752 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.133 -7.855 10.879 1.00 0.00 H new ATOM 181 N GLU A 12 2.932 -7.938 5.977 1.00 0.00 N ATOM 182 CA GLU A 12 2.787 -7.774 4.556 1.00 0.00 C ATOM 183 C GLU A 12 1.334 -7.971 4.081 1.00 0.00 C ATOM 184 O GLU A 12 0.906 -7.387 3.074 1.00 0.00 O ATOM 185 CB GLU A 12 3.821 -8.721 3.950 1.00 0.00 C ATOM 186 CG GLU A 12 4.159 -8.197 2.577 1.00 0.00 C ATOM 187 CD GLU A 12 5.424 -8.814 1.954 1.00 0.00 C ATOM 188 OE1 GLU A 12 6.500 -8.892 2.586 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.393 -9.041 0.732 1.00 0.00 O ATOM 0 H GLU A 12 3.261 -8.857 6.271 1.00 0.00 H new ATOM 0 HA GLU A 12 2.982 -6.755 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.713 -8.766 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.424 -9.734 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.315 -8.382 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.288 -7.116 2.636 1.00 0.00 H new ATOM 196 N ALA A 13 0.563 -8.738 4.855 1.00 0.00 N ATOM 197 CA ALA A 13 -0.879 -8.906 4.696 1.00 0.00 C ATOM 198 C ALA A 13 -1.612 -7.758 5.381 1.00 0.00 C ATOM 199 O ALA A 13 -2.643 -7.309 4.899 1.00 0.00 O ATOM 200 CB ALA A 13 -1.308 -10.249 5.294 1.00 0.00 C ATOM 0 H ALA A 13 0.940 -9.276 5.635 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.132 -8.896 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.384 -10.373 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.790 -11.058 4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.055 -10.273 6.354 1.00 0.00 H new ATOM 206 N GLU A 14 -1.024 -7.226 6.445 1.00 0.00 N ATOM 207 CA GLU A 14 -1.402 -5.996 7.121 1.00 0.00 C ATOM 208 C GLU A 14 -1.522 -4.835 6.150 1.00 0.00 C ATOM 209 O GLU A 14 -2.486 -4.075 6.158 1.00 0.00 O ATOM 210 CB GLU A 14 -0.296 -5.717 8.137 1.00 0.00 C ATOM 211 CG GLU A 14 -0.785 -5.537 9.551 1.00 0.00 C ATOM 212 CD GLU A 14 0.029 -6.388 10.523 1.00 0.00 C ATOM 213 OE1 GLU A 14 -0.090 -7.629 10.419 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.914 -5.840 11.219 1.00 0.00 O ATOM 0 H GLU A 14 -0.219 -7.672 6.885 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.378 -6.105 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.419 -6.540 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.242 -4.819 7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.714 -4.487 9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.838 -5.813 9.614 1.00 0.00 H new ATOM 221 N PHE A 15 -0.531 -4.724 5.282 1.00 0.00 N ATOM 222 CA PHE A 15 -0.513 -3.732 4.238 1.00 0.00 C ATOM 223 C PHE A 15 -1.400 -4.143 3.097 1.00 0.00 C ATOM 224 O PHE A 15 -1.975 -3.281 2.450 1.00 0.00 O ATOM 225 CB PHE A 15 0.890 -3.668 3.698 1.00 0.00 C ATOM 226 CG PHE A 15 1.115 -2.727 2.527 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.599 -1.418 2.520 1.00 0.00 C ATOM 228 CD2 PHE A 15 1.905 -3.160 1.452 1.00 0.00 C ATOM 229 CE1 PHE A 15 0.998 -0.512 1.525 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.294 -2.265 0.444 1.00 0.00 C ATOM 231 CZ PHE A 15 1.878 -0.929 0.514 1.00 0.00 C ATOM 0 H PHE A 15 0.289 -5.330 5.288 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.854 -2.780 4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.556 -3.372 4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.186 -4.672 3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.104 -1.110 3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.217 -4.193 1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.629 0.503 1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.908 -2.603 -0.378 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.236 -0.216 -0.214 1.00 0.00 H new ATOM 241 N LEU A 16 -1.531 -5.440 2.822 1.00 0.00 N ATOM 242 CA LEU A 16 -2.435 -5.816 1.752 1.00 0.00 C ATOM 243 C LEU A 16 -3.840 -5.347 2.084 1.00 0.00 C ATOM 244 O LEU A 16 -4.511 -4.750 1.256 1.00 0.00 O ATOM 245 CB LEU A 16 -2.344 -7.316 1.538 1.00 0.00 C ATOM 246 CG LEU A 16 -3.220 -7.873 0.410 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.347 -7.026 -0.841 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.568 -9.155 -0.128 1.00 0.00 C ATOM 0 H LEU A 16 -1.051 -6.204 3.297 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.157 -5.333 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.306 -7.574 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.617 -7.816 2.467 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.198 -7.966 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.992 -7.532 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.779 -6.059 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.361 -6.877 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.180 -9.564 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.573 -8.925 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.488 -9.887 0.675 1.00 0.00 H new ATOM 260 N GLN A 17 -4.208 -5.515 3.343 1.00 0.00 N ATOM 261 CA GLN A 17 -5.391 -5.106 3.995 1.00 0.00 C ATOM 262 C GLN A 17 -5.488 -3.591 3.985 1.00 0.00 C ATOM 263 O GLN A 17 -6.572 -3.041 3.885 1.00 0.00 O ATOM 264 CB GLN A 17 -5.382 -5.662 5.426 1.00 0.00 C ATOM 265 CG GLN A 17 -6.413 -4.981 6.317 1.00 0.00 C ATOM 266 CD GLN A 17 -6.519 -5.590 7.713 1.00 0.00 C ATOM 267 OE1 GLN A 17 -6.497 -6.801 7.898 1.00 0.00 O ATOM 268 NE2 GLN A 17 -6.643 -4.760 8.737 1.00 0.00 N ATOM 0 H GLN A 17 -3.591 -6.005 3.991 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.267 -5.494 3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.580 -6.734 5.398 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.390 -5.532 5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.159 -3.925 6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.388 -5.033 5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.661 -3.753 8.578 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.721 -5.128 9.685 1.00 0.00 H new ATOM 277 N LEU A 18 -4.356 -2.918 4.117 1.00 0.00 N ATOM 278 CA LEU A 18 -4.315 -1.477 4.187 1.00 0.00 C ATOM 279 C LEU A 18 -4.646 -0.882 2.810 1.00 0.00 C ATOM 280 O LEU A 18 -5.453 0.039 2.664 1.00 0.00 O ATOM 281 CB LEU A 18 -2.923 -1.048 4.665 1.00 0.00 C ATOM 282 CG LEU A 18 -2.806 0.472 4.804 1.00 0.00 C ATOM 283 CD1 LEU A 18 -2.174 0.851 6.145 1.00 0.00 C ATOM 284 CD2 LEU A 18 -2.083 1.104 3.608 1.00 0.00 C ATOM 0 H LEU A 18 -3.440 -3.363 4.178 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.057 -1.107 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.709 -1.517 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.172 -1.406 3.961 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.814 0.888 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.102 1.936 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.792 0.472 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.177 0.416 6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.022 2.183 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.077 0.691 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.635 0.888 2.693 1.00 0.00 H new ATOM 296 N VAL A 19 -4.063 -1.471 1.770 1.00 0.00 N ATOM 297 CA VAL A 19 -4.312 -1.063 0.378 1.00 0.00 C ATOM 298 C VAL A 19 -5.794 -1.375 0.111 1.00 0.00 C ATOM 299 O VAL A 19 -6.531 -0.563 -0.430 1.00 0.00 O ATOM 300 CB VAL A 19 -3.366 -1.863 -0.500 1.00 0.00 C ATOM 301 CG1 VAL A 19 -3.693 -1.533 -1.952 1.00 0.00 C ATOM 302 CG2 VAL A 19 -1.942 -1.394 -0.177 1.00 0.00 C ATOM 0 H VAL A 19 -3.404 -2.244 1.861 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.132 -0.007 0.175 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.459 -2.936 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.029 -2.093 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.727 -1.805 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.557 -0.465 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.229 -1.947 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.853 -0.329 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.730 -1.573 0.877 1.00 0.00 H new ATOM 312 N THR A 20 -6.264 -2.507 0.628 1.00 0.00 N ATOM 313 CA THR A 20 -7.637 -2.971 0.694 1.00 0.00 C ATOM 314 C THR A 20 -8.521 -2.049 1.552 1.00 0.00 C ATOM 315 O THR A 20 -9.726 -2.108 1.391 1.00 0.00 O ATOM 316 CB THR A 20 -7.507 -4.409 1.237 1.00 0.00 C ATOM 317 OG1 THR A 20 -7.177 -5.329 0.218 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.537 -5.012 2.171 1.00 0.00 C ATOM 0 H THR A 20 -5.628 -3.183 1.050 1.00 0.00 H new ATOM 0 HA THR A 20 -8.146 -2.956 -0.270 1.00 0.00 H new ATOM 0 HB THR A 20 -6.693 -4.229 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.206 -5.460 0.198 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.245 -6.031 2.426 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.598 -4.414 3.080 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.510 -5.025 1.680 1.00 0.00 H new ATOM 326 N THR A 21 -7.990 -1.162 2.398 1.00 0.00 N ATOM 327 CA THR A 21 -8.707 -0.165 3.183 1.00 0.00 C ATOM 328 C THR A 21 -8.894 1.093 2.324 1.00 0.00 C ATOM 329 O THR A 21 -9.833 1.847 2.558 1.00 0.00 O ATOM 330 CB THR A 21 -7.879 0.074 4.466 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.466 -0.497 5.617 1.00 0.00 O ATOM 332 CG2 THR A 21 -7.495 1.529 4.734 1.00 0.00 C ATOM 0 H THR A 21 -6.984 -1.122 2.560 1.00 0.00 H new ATOM 0 HA THR A 21 -9.706 -0.485 3.479 1.00 0.00 H new ATOM 0 HB THR A 21 -6.947 -0.449 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.900 -0.317 6.397 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.917 1.589 5.656 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.896 1.906 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.398 2.131 4.832 1.00 0.00 H new ATOM 340 N ILE A 22 -8.029 1.325 1.332 1.00 0.00 N ATOM 341 CA ILE A 22 -8.087 2.401 0.345 1.00 0.00 C ATOM 342 C ILE A 22 -9.054 1.967 -0.744 1.00 0.00 C ATOM 343 O ILE A 22 -10.052 2.634 -0.993 1.00 0.00 O ATOM 344 CB ILE A 22 -6.703 2.716 -0.273 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.609 2.678 0.802 1.00 0.00 C ATOM 346 CG2 ILE A 22 -6.750 4.060 -1.010 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.330 3.425 0.463 1.00 0.00 C ATOM 0 H ILE A 22 -7.217 0.725 1.190 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.419 3.315 0.837 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.453 1.949 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.017 3.091 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.358 1.637 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.772 4.273 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.495 4.013 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.017 4.850 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.625 3.334 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.889 3.000 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.557 4.478 0.294 1.00 0.00 H new ATOM 359 N CYS A 23 -8.821 0.779 -1.303 1.00 0.00 N ATOM 360 CA CYS A 23 -9.785 0.099 -2.138 1.00 0.00 C ATOM 361 C CYS A 23 -11.041 -0.257 -1.333 1.00 0.00 C ATOM 362 O CYS A 23 -11.986 -0.744 -1.953 1.00 0.00 O ATOM 363 CB CYS A 23 -9.155 -1.118 -2.846 1.00 0.00 C ATOM 364 SG CYS A 23 -7.659 -0.580 -3.733 1.00 0.00 S ATOM 0 H CYS A 23 -7.948 0.266 -1.182 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.101 0.777 -2.931 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.904 -1.889 -2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.868 -1.559 -3.543 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.700 -0.372 -2.880 1.00 0.00 H new ATOM 369 N ASN A 24 -11.086 0.000 -0.005 1.00 0.00 N ATOM 370 CA ASN A 24 -12.402 -0.029 0.687 1.00 0.00 C ATOM 371 C ASN A 24 -12.986 1.351 1.005 1.00 0.00 C ATOM 372 O ASN A 24 -14.206 1.476 1.017 1.00 0.00 O ATOM 373 CB ASN A 24 -12.412 -0.917 1.940 1.00 0.00 C ATOM 374 CG ASN A 24 -13.816 -1.114 2.513 1.00 0.00 C ATOM 375 OD1 ASN A 24 -14.509 -2.064 2.170 1.00 0.00 O ATOM 376 ND2 ASN A 24 -14.270 -0.266 3.421 1.00 0.00 N ATOM 0 H ASN A 24 -10.281 0.218 0.582 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.061 -0.483 -0.053 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.985 -1.889 1.695 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -11.773 -0.471 2.702 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.193 -0.405 3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.697 0.527 3.710 1.00 0.00 H new ATOM 383 N ALA A 25 -12.156 2.363 1.297 1.00 0.00 N ATOM 384 CA ALA A 25 -12.533 3.617 1.972 1.00 0.00 C ATOM 385 C ALA A 25 -13.161 3.255 3.327 1.00 0.00 C ATOM 386 O ALA A 25 -14.104 3.882 3.791 1.00 0.00 O ATOM 387 CB ALA A 25 -13.468 4.444 1.061 1.00 0.00 C ATOM 0 H ALA A 25 -11.164 2.331 1.061 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.665 4.249 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.743 5.370 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.954 4.678 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.368 3.868 0.844 1.00 0.00 H new ATOM 393 N ASP A 26 -12.533 2.281 3.996 1.00 0.00 N ATOM 394 CA ASP A 26 -12.621 1.844 5.409 1.00 0.00 C ATOM 395 C ASP A 26 -12.608 2.961 6.456 1.00 0.00 C ATOM 396 O ASP A 26 -12.950 2.821 7.625 1.00 0.00 O ATOM 397 CB ASP A 26 -11.360 0.999 5.579 1.00 0.00 C ATOM 398 CG ASP A 26 -10.894 0.729 7.023 1.00 0.00 C ATOM 399 OD1 ASP A 26 -11.533 -0.080 7.722 1.00 0.00 O ATOM 400 OD2 ASP A 26 -9.810 1.267 7.379 1.00 0.00 O ATOM 0 H ASP A 26 -11.859 1.699 3.498 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.573 1.342 5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.526 0.039 5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.547 1.491 5.046 1.00 0.00 H new ATOM 405 N THR A 27 -12.156 4.078 5.953 1.00 0.00 N ATOM 406 CA THR A 27 -11.592 5.205 6.617 1.00 0.00 C ATOM 407 C THR A 27 -12.548 6.294 7.079 1.00 0.00 C ATOM 408 O THR A 27 -13.748 6.293 6.796 1.00 0.00 O ATOM 409 CB THR A 27 -10.550 5.722 5.636 1.00 0.00 C ATOM 410 OG1 THR A 27 -11.139 6.583 4.688 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.693 4.697 4.903 1.00 0.00 C ATOM 0 H THR A 27 -12.181 4.229 4.945 1.00 0.00 H new ATOM 0 HA THR A 27 -11.187 4.890 7.579 1.00 0.00 H new ATOM 0 HB THR A 27 -9.852 6.241 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.596 7.394 4.600 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.998 5.212 4.240 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.133 4.106 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.334 4.039 4.316 1.00 0.00 H new ATOM 419 N SER A 28 -11.930 7.325 7.654 1.00 0.00 N ATOM 420 CA SER A 28 -12.487 8.634 7.922 1.00 0.00 C ATOM 421 C SER A 28 -13.267 9.272 6.799 1.00 0.00 C ATOM 422 O SER A 28 -14.087 10.148 7.061 1.00 0.00 O ATOM 423 CB SER A 28 -11.371 9.567 8.349 1.00 0.00 C ATOM 424 OG SER A 28 -10.361 9.735 7.383 1.00 0.00 O ATOM 0 H SER A 28 -10.961 7.254 7.963 1.00 0.00 H new ATOM 0 HA SER A 28 -13.222 8.471 8.710 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.798 10.542 8.586 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.922 9.184 9.265 1.00 0.00 H new ATOM 0 HG SER A 28 -9.760 10.458 7.660 1.00 0.00 H new ATOM 430 N SER A 29 -13.013 8.797 5.588 1.00 0.00 N ATOM 431 CA SER A 29 -13.908 8.937 4.448 1.00 0.00 C ATOM 432 C SER A 29 -13.503 10.123 3.603 1.00 0.00 C ATOM 433 O SER A 29 -14.136 11.170 3.543 1.00 0.00 O ATOM 434 CB SER A 29 -15.368 8.846 4.726 1.00 0.00 C ATOM 435 OG SER A 29 -15.767 7.712 5.488 1.00 0.00 O ATOM 0 H SER A 29 -12.156 8.290 5.365 1.00 0.00 H new ATOM 0 HA SER A 29 -13.767 8.033 3.856 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.679 9.747 5.255 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.903 8.833 3.776 1.00 0.00 H new ATOM 0 HG SER A 29 -14.976 7.288 5.883 1.00 0.00 H new ATOM 441 N GLU A 30 -12.367 9.850 2.987 1.00 0.00 N ATOM 442 CA GLU A 30 -11.705 10.377 1.803 1.00 0.00 C ATOM 443 C GLU A 30 -10.290 10.879 2.104 1.00 0.00 C ATOM 444 O GLU A 30 -9.450 11.179 1.264 1.00 0.00 O ATOM 445 CB GLU A 30 -12.574 11.409 1.060 1.00 0.00 C ATOM 446 CG GLU A 30 -12.133 11.753 -0.370 1.00 0.00 C ATOM 447 CD GLU A 30 -13.116 12.729 -1.034 1.00 0.00 C ATOM 448 OE1 GLU A 30 -14.077 12.243 -1.673 1.00 0.00 O ATOM 449 OE2 GLU A 30 -12.903 13.957 -0.902 1.00 0.00 O ATOM 0 H GLU A 30 -11.781 9.115 3.384 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.580 9.544 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.597 11.035 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.592 12.329 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.136 12.194 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.066 10.840 -0.962 1.00 0.00 H new ATOM 456 N GLU A 31 -9.976 10.751 3.371 1.00 0.00 N ATOM 457 CA GLU A 31 -8.972 11.492 4.067 1.00 0.00 C ATOM 458 C GLU A 31 -7.802 10.704 4.548 1.00 0.00 C ATOM 459 O GLU A 31 -6.650 10.933 4.199 1.00 0.00 O ATOM 460 CB GLU A 31 -9.805 12.109 5.118 1.00 0.00 C ATOM 461 CG GLU A 31 -9.350 13.321 5.909 1.00 0.00 C ATOM 462 CD GLU A 31 -8.250 12.973 6.919 1.00 0.00 C ATOM 463 OE1 GLU A 31 -8.317 11.902 7.573 1.00 0.00 O ATOM 464 OE2 GLU A 31 -7.235 13.702 6.975 1.00 0.00 O ATOM 0 H GLU A 31 -10.451 10.080 3.975 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.427 12.204 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.751 12.380 4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.022 11.326 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.983 14.084 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.202 13.750 6.436 1.00 0.00 H new ATOM 471 N GLU A 32 -8.150 9.754 5.378 1.00 0.00 N ATOM 472 CA GLU A 32 -7.362 8.610 5.633 1.00 0.00 C ATOM 473 C GLU A 32 -7.113 8.018 4.270 1.00 0.00 C ATOM 474 O GLU A 32 -6.021 7.597 4.066 1.00 0.00 O ATOM 475 CB GLU A 32 -8.104 7.633 6.446 1.00 0.00 C ATOM 476 CG GLU A 32 -7.809 7.562 7.924 1.00 0.00 C ATOM 477 CD GLU A 32 -8.426 6.292 8.523 1.00 0.00 C ATOM 478 OE1 GLU A 32 -9.609 6.362 8.915 1.00 0.00 O ATOM 479 OE2 GLU A 32 -7.766 5.228 8.521 1.00 0.00 O ATOM 0 H GLU A 32 -9.023 9.771 5.905 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.450 8.861 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.167 7.842 6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.925 6.644 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.731 7.565 8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.210 8.442 8.426 1.00 0.00 H new ATOM 486 N LEU A 33 -8.029 8.032 3.307 1.00 0.00 N ATOM 487 CA LEU A 33 -7.770 7.435 2.011 1.00 0.00 C ATOM 488 C LEU A 33 -6.574 8.078 1.312 1.00 0.00 C ATOM 489 O LEU A 33 -5.618 7.395 0.971 1.00 0.00 O ATOM 490 CB LEU A 33 -9.000 7.562 1.128 1.00 0.00 C ATOM 491 CG LEU A 33 -9.979 6.443 1.499 1.00 0.00 C ATOM 492 CD1 LEU A 33 -11.350 7.027 1.751 1.00 0.00 C ATOM 493 CD2 LEU A 33 -9.998 5.488 0.313 1.00 0.00 C ATOM 0 H LEU A 33 -8.954 8.450 3.404 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.535 6.384 2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.468 8.537 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.721 7.489 0.077 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.680 5.922 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.043 6.228 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.295 7.744 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.702 7.530 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.682 4.665 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.330 6.021 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.995 5.094 0.147 1.00 0.00 H new ATOM 505 N VAL A 34 -6.598 9.399 1.149 1.00 0.00 N ATOM 506 CA VAL A 34 -5.503 10.203 0.591 1.00 0.00 C ATOM 507 C VAL A 34 -4.238 10.065 1.435 1.00 0.00 C ATOM 508 O VAL A 34 -3.107 10.223 0.967 1.00 0.00 O ATOM 509 CB VAL A 34 -5.975 11.646 0.464 1.00 0.00 C ATOM 510 CG1 VAL A 34 -4.892 12.735 0.396 1.00 0.00 C ATOM 511 CG2 VAL A 34 -6.881 11.785 -0.758 1.00 0.00 C ATOM 0 H VAL A 34 -7.407 9.963 1.410 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.238 9.841 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.495 11.829 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.365 13.713 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.288 12.705 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.254 12.560 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.217 12.818 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.328 11.506 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.746 11.131 -0.646 1.00 0.00 H new ATOM 521 N LYS A 35 -4.422 9.755 2.707 1.00 0.00 N ATOM 522 CA LYS A 35 -3.355 9.612 3.651 1.00 0.00 C ATOM 523 C LYS A 35 -2.768 8.226 3.582 1.00 0.00 C ATOM 524 O LYS A 35 -1.560 8.128 3.670 1.00 0.00 O ATOM 525 CB LYS A 35 -3.945 9.958 4.972 1.00 0.00 C ATOM 526 CG LYS A 35 -2.853 9.914 5.986 1.00 0.00 C ATOM 527 CD LYS A 35 -3.413 10.312 7.324 1.00 0.00 C ATOM 528 CE LYS A 35 -4.166 11.653 7.448 1.00 0.00 C ATOM 529 NZ LYS A 35 -5.575 11.601 6.987 1.00 0.00 N ATOM 0 H LYS A 35 -5.345 9.594 3.110 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.511 10.271 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.397 10.949 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.736 9.255 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.428 8.912 6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.046 10.588 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.092 9.522 7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.587 10.331 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.147 11.973 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.634 12.411 6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.135 12.312 7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.614 11.800 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.965 10.655 7.170 1.00 0.00 H new ATOM 543 N LEU A 36 -3.567 7.180 3.425 1.00 0.00 N ATOM 544 CA LEU A 36 -3.177 5.822 3.255 1.00 0.00 C ATOM 545 C LEU A 36 -2.501 5.696 1.906 1.00 0.00 C ATOM 546 O LEU A 36 -1.559 4.925 1.796 1.00 0.00 O ATOM 547 CB LEU A 36 -4.507 5.076 3.326 1.00 0.00 C ATOM 548 CG LEU A 36 -5.065 4.893 4.733 1.00 0.00 C ATOM 549 CD1 LEU A 36 -4.915 3.423 5.121 1.00 0.00 C ATOM 550 CD2 LEU A 36 -4.498 5.641 5.941 1.00 0.00 C ATOM 0 H LEU A 36 -4.581 7.287 3.415 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.470 5.435 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.241 5.614 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.381 4.094 2.870 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.060 5.314 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.309 3.270 6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.468 2.802 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.861 3.146 5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.049 5.355 6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.445 5.386 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.595 6.715 5.782 1.00 0.00 H new ATOM 562 N VAL A 37 -2.936 6.505 0.933 1.00 0.00 N ATOM 563 CA VAL A 37 -2.268 6.674 -0.349 1.00 0.00 C ATOM 564 C VAL A 37 -0.848 7.150 -0.044 1.00 0.00 C ATOM 565 O VAL A 37 0.132 6.474 -0.288 1.00 0.00 O ATOM 566 CB VAL A 37 -3.098 7.665 -1.206 1.00 0.00 C ATOM 567 CG1 VAL A 37 -2.346 8.495 -2.253 1.00 0.00 C ATOM 568 CG2 VAL A 37 -4.267 6.975 -1.906 1.00 0.00 C ATOM 0 H VAL A 37 -3.781 7.069 1.023 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.196 5.755 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.433 8.373 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.049 9.143 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.589 9.105 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.865 7.828 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.821 7.706 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.887 6.192 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.928 6.533 -1.160 1.00 0.00 H new ATOM 578 N THR A 38 -0.728 8.291 0.609 1.00 0.00 N ATOM 579 CA THR A 38 0.533 8.995 0.782 1.00 0.00 C ATOM 580 C THR A 38 1.475 8.264 1.738 1.00 0.00 C ATOM 581 O THR A 38 2.684 8.275 1.553 1.00 0.00 O ATOM 582 CB THR A 38 0.247 10.417 1.113 1.00 0.00 C ATOM 583 OG1 THR A 38 -0.591 11.069 0.177 1.00 0.00 O ATOM 584 CG2 THR A 38 1.431 11.317 1.479 1.00 0.00 C ATOM 0 H THR A 38 -1.519 8.765 1.044 1.00 0.00 H new ATOM 0 HA THR A 38 1.099 9.003 -0.150 1.00 0.00 H new ATOM 0 HB THR A 38 -0.295 10.283 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.525 10.826 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.070 12.323 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.935 10.916 2.358 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.131 11.354 0.645 1.00 0.00 H new ATOM 592 N HIS A 39 0.920 7.590 2.738 1.00 0.00 N ATOM 593 CA HIS A 39 1.595 6.615 3.559 1.00 0.00 C ATOM 594 C HIS A 39 2.068 5.471 2.708 1.00 0.00 C ATOM 595 O HIS A 39 3.175 5.059 2.964 1.00 0.00 O ATOM 596 CB HIS A 39 0.651 6.085 4.624 1.00 0.00 C ATOM 597 CG HIS A 39 0.870 4.668 5.115 1.00 0.00 C ATOM 598 ND1 HIS A 39 1.776 4.242 6.063 1.00 0.00 N ATOM 599 CD2 HIS A 39 0.116 3.583 4.749 1.00 0.00 C ATOM 600 CE1 HIS A 39 1.553 2.929 6.268 1.00 0.00 C ATOM 601 NE2 HIS A 39 0.566 2.483 5.480 1.00 0.00 N ATOM 0 H HIS A 39 -0.056 7.720 3.004 1.00 0.00 H new ATOM 0 HA HIS A 39 2.449 7.094 4.038 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.708 6.751 5.485 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.365 6.152 4.236 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.484 4.814 6.524 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.684 3.580 4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.097 2.318 6.973 1.00 0.00 H new ATOM 609 N PHE A 40 1.301 4.928 1.759 1.00 0.00 N ATOM 610 CA PHE A 40 1.855 3.860 0.922 1.00 0.00 C ATOM 611 C PHE A 40 3.103 4.404 0.239 1.00 0.00 C ATOM 612 O PHE A 40 4.185 3.820 0.330 1.00 0.00 O ATOM 613 CB PHE A 40 0.808 3.407 -0.095 1.00 0.00 C ATOM 614 CG PHE A 40 1.143 2.218 -0.964 1.00 0.00 C ATOM 615 CD1 PHE A 40 2.336 2.114 -1.707 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.136 1.267 -1.144 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.488 1.071 -2.628 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.283 0.227 -2.076 1.00 0.00 C ATOM 619 CZ PHE A 40 1.466 0.122 -2.811 1.00 0.00 C ATOM 0 H PHE A 40 0.338 5.194 1.556 1.00 0.00 H new ATOM 0 HA PHE A 40 2.124 2.990 1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.110 3.178 0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.590 4.250 -0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.128 2.835 -1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.769 1.332 -0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.399 0.994 -3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.514 -0.487 -2.224 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.596 -0.685 -3.517 1.00 0.00 H new ATOM 629 N GLU A 41 2.908 5.554 -0.389 1.00 0.00 N ATOM 630 CA GLU A 41 3.858 6.293 -1.196 1.00 0.00 C ATOM 631 C GLU A 41 5.183 6.461 -0.473 1.00 0.00 C ATOM 632 O GLU A 41 6.269 6.207 -0.999 1.00 0.00 O ATOM 633 CB GLU A 41 3.278 7.515 -1.822 1.00 0.00 C ATOM 634 CG GLU A 41 2.038 7.212 -2.667 1.00 0.00 C ATOM 635 CD GLU A 41 1.488 5.808 -3.005 1.00 0.00 C ATOM 636 OE1 GLU A 41 2.255 4.825 -3.101 1.00 0.00 O ATOM 637 OE2 GLU A 41 0.272 5.768 -3.289 1.00 0.00 O ATOM 0 H GLU A 41 2.007 6.030 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 41 4.104 5.692 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.015 8.229 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.033 7.991 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.217 7.741 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.210 7.699 -3.627 1.00 0.00 H new ATOM 644 N GLU A 42 5.025 6.806 0.797 1.00 0.00 N ATOM 645 CA GLU A 42 6.043 6.937 1.804 1.00 0.00 C ATOM 646 C GLU A 42 6.684 5.584 2.109 1.00 0.00 C ATOM 647 O GLU A 42 7.894 5.379 2.004 1.00 0.00 O ATOM 648 CB GLU A 42 5.440 7.600 3.016 1.00 0.00 C ATOM 649 CG GLU A 42 6.116 7.628 4.390 1.00 0.00 C ATOM 650 CD GLU A 42 7.396 8.471 4.490 1.00 0.00 C ATOM 651 OE1 GLU A 42 7.613 9.341 3.616 1.00 0.00 O ATOM 652 OE2 GLU A 42 8.116 8.284 5.498 1.00 0.00 O ATOM 0 H GLU A 42 4.100 7.017 1.170 1.00 0.00 H new ATOM 0 HA GLU A 42 6.855 7.570 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.263 8.640 2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.464 7.138 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.398 8.004 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.355 6.604 4.677 1.00 0.00 H new ATOM 659 N MET A 43 5.825 4.639 2.490 1.00 0.00 N ATOM 660 CA MET A 43 6.166 3.456 3.236 1.00 0.00 C ATOM 661 C MET A 43 7.161 2.561 2.518 1.00 0.00 C ATOM 662 O MET A 43 7.992 1.898 3.141 1.00 0.00 O ATOM 663 CB MET A 43 4.924 2.665 3.678 1.00 0.00 C ATOM 664 CG MET A 43 5.186 1.870 4.948 1.00 0.00 C ATOM 665 SD MET A 43 4.734 2.682 6.511 1.00 0.00 S ATOM 666 CE MET A 43 5.949 4.012 6.606 1.00 0.00 C ATOM 0 H MET A 43 4.830 4.692 2.271 1.00 0.00 H new ATOM 0 HA MET A 43 6.664 3.817 4.136 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.095 3.353 3.844 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.621 1.987 2.880 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.641 0.928 4.881 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.247 1.623 4.985 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.809 4.567 7.534 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.954 3.589 6.584 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.819 4.684 5.758 1.00 0.00 H new ATOM 676 N THR A 44 7.042 2.503 1.202 1.00 0.00 N ATOM 677 CA THR A 44 7.755 1.562 0.367 1.00 0.00 C ATOM 678 C THR A 44 8.650 2.303 -0.631 1.00 0.00 C ATOM 679 O THR A 44 9.335 1.613 -1.395 1.00 0.00 O ATOM 680 CB THR A 44 6.763 0.526 -0.205 1.00 0.00 C ATOM 681 OG1 THR A 44 7.316 -0.170 -1.302 1.00 0.00 O ATOM 682 CG2 THR A 44 5.380 1.096 -0.532 1.00 0.00 C ATOM 0 H THR A 44 6.430 3.127 0.675 1.00 0.00 H new ATOM 0 HA THR A 44 8.465 0.965 0.940 1.00 0.00 H new ATOM 0 HB THR A 44 6.593 -0.189 0.600 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.236 0.133 -1.452 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.745 0.304 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.931 1.503 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.479 1.888 -1.275 1.00 0.00 H new ATOM 690 N GLU A 45 8.689 3.645 -0.616 1.00 0.00 N ATOM 691 CA GLU A 45 9.429 4.471 -1.576 1.00 0.00 C ATOM 692 C GLU A 45 9.162 3.971 -3.003 1.00 0.00 C ATOM 693 O GLU A 45 10.084 3.792 -3.800 1.00 0.00 O ATOM 694 CB GLU A 45 10.903 4.496 -1.151 1.00 0.00 C ATOM 695 CG GLU A 45 11.854 5.447 -1.908 1.00 0.00 C ATOM 696 CD GLU A 45 13.209 4.756 -2.093 1.00 0.00 C ATOM 697 OE1 GLU A 45 13.835 4.402 -1.066 1.00 0.00 O ATOM 698 OE2 GLU A 45 13.528 4.280 -3.208 1.00 0.00 O ATOM 0 H GLU A 45 8.193 4.197 0.083 1.00 0.00 H new ATOM 0 HA GLU A 45 9.093 5.508 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.942 4.755 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.296 3.484 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.430 5.710 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.978 6.376 -1.352 1.00 0.00 H new ATOM 705 N HIS A 46 7.910 3.592 -3.286 1.00 0.00 N ATOM 706 CA HIS A 46 7.615 2.840 -4.488 1.00 0.00 C ATOM 707 C HIS A 46 7.364 3.812 -5.653 1.00 0.00 C ATOM 708 O HIS A 46 6.576 4.743 -5.501 1.00 0.00 O ATOM 709 CB HIS A 46 6.445 1.870 -4.278 1.00 0.00 C ATOM 710 CG HIS A 46 6.105 1.164 -5.569 1.00 0.00 C ATOM 711 ND1 HIS A 46 5.316 1.696 -6.559 1.00 0.00 N ATOM 712 CD2 HIS A 46 6.686 0.032 -6.079 1.00 0.00 C ATOM 713 CE1 HIS A 46 5.413 0.900 -7.638 1.00 0.00 C ATOM 714 NE2 HIS A 46 6.240 -0.126 -7.391 1.00 0.00 N ATOM 0 H HIS A 46 7.101 3.796 -2.700 1.00 0.00 H new ATOM 0 HA HIS A 46 8.477 2.221 -4.738 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.705 1.138 -3.514 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.574 2.415 -3.914 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.369 -0.622 -5.557 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.897 1.064 -8.573 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.493 -0.875 -8.036 1.00 0.00 H new ATOM 722 N PRO A 47 7.939 3.545 -6.840 1.00 0.00 N ATOM 723 CA PRO A 47 7.738 4.295 -8.078 1.00 0.00 C ATOM 724 C PRO A 47 6.350 4.866 -8.361 1.00 0.00 C ATOM 725 O PRO A 47 6.195 6.066 -8.570 1.00 0.00 O ATOM 726 CB PRO A 47 8.090 3.293 -9.184 1.00 0.00 C ATOM 727 CG PRO A 47 9.191 2.468 -8.551 1.00 0.00 C ATOM 728 CD PRO A 47 8.861 2.442 -7.089 1.00 0.00 C ATOM 0 HA PRO A 47 8.352 5.193 -8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.233 2.679 -9.461 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.430 3.794 -10.090 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.220 1.461 -8.968 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.170 2.914 -8.727 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.407 1.490 -6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.764 2.551 -6.488 1.00 0.00 H new ATOM 736 N SER A 48 5.368 3.977 -8.453 1.00 0.00 N ATOM 737 CA SER A 48 4.120 4.222 -9.138 1.00 0.00 C ATOM 738 C SER A 48 2.953 4.599 -8.240 1.00 0.00 C ATOM 739 O SER A 48 1.862 4.306 -8.623 1.00 0.00 O ATOM 740 CB SER A 48 3.790 3.040 -10.066 1.00 0.00 C ATOM 741 OG SER A 48 4.941 2.427 -10.628 1.00 0.00 O ATOM 0 H SER A 48 5.426 3.046 -8.041 1.00 0.00 H new ATOM 0 HA SER A 48 4.274 5.119 -9.738 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.227 2.294 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.143 3.389 -10.871 1.00 0.00 H new ATOM 0 HG SER A 48 4.667 1.684 -11.205 1.00 0.00 H new ATOM 747 N GLY A 49 3.112 5.158 -7.054 1.00 0.00 N ATOM 748 CA GLY A 49 2.091 5.469 -6.052 1.00 0.00 C ATOM 749 C GLY A 49 0.657 5.628 -6.572 1.00 0.00 C ATOM 750 O GLY A 49 -0.179 4.735 -6.452 1.00 0.00 O ATOM 0 H GLY A 49 4.040 5.433 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.097 4.680 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.377 6.392 -5.547 1.00 0.00 H new ATOM 754 N SER A 50 0.383 6.728 -7.266 1.00 0.00 N ATOM 755 CA SER A 50 -0.964 7.034 -7.776 1.00 0.00 C ATOM 756 C SER A 50 -1.445 6.056 -8.873 1.00 0.00 C ATOM 757 O SER A 50 -2.585 6.139 -9.345 1.00 0.00 O ATOM 758 CB SER A 50 -0.982 8.485 -8.277 1.00 0.00 C ATOM 759 OG SER A 50 -2.304 8.929 -8.514 1.00 0.00 O ATOM 0 H SER A 50 1.081 7.436 -7.494 1.00 0.00 H new ATOM 0 HA SER A 50 -1.669 6.909 -6.955 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.505 9.132 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.400 8.563 -9.195 1.00 0.00 H new ATOM 0 HG SER A 50 -2.820 8.210 -8.936 1.00 0.00 H new ATOM 765 N ASP A 51 -0.622 5.089 -9.248 1.00 0.00 N ATOM 766 CA ASP A 51 -0.557 4.296 -10.434 1.00 0.00 C ATOM 767 C ASP A 51 -0.263 2.869 -9.955 1.00 0.00 C ATOM 768 O ASP A 51 -0.165 1.989 -10.802 1.00 0.00 O ATOM 769 CB ASP A 51 0.536 4.808 -11.400 1.00 0.00 C ATOM 770 CG ASP A 51 0.388 6.243 -11.921 1.00 0.00 C ATOM 771 OD1 ASP A 51 0.446 7.183 -11.093 1.00 0.00 O ATOM 772 OD2 ASP A 51 0.300 6.406 -13.158 1.00 0.00 O ATOM 0 H ASP A 51 0.128 4.813 -8.614 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.488 4.344 -10.999 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.499 4.729 -10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.570 4.138 -12.259 1.00 0.00 H new ATOM 777 N LEU A 52 -0.107 2.584 -8.635 1.00 0.00 N ATOM 778 CA LEU A 52 -0.302 1.256 -8.156 1.00 0.00 C ATOM 779 C LEU A 52 -1.362 1.413 -7.104 1.00 0.00 C ATOM 780 O LEU A 52 -1.369 0.656 -6.152 1.00 0.00 O ATOM 781 CB LEU A 52 0.916 0.517 -7.646 1.00 0.00 C ATOM 782 CG LEU A 52 2.003 1.166 -6.806 1.00 0.00 C ATOM 783 CD1 LEU A 52 1.567 1.941 -5.595 1.00 0.00 C ATOM 784 CD2 LEU A 52 2.779 -0.014 -6.256 1.00 0.00 C ATOM 0 H LEU A 52 0.149 3.266 -7.922 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.581 0.607 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.542 -0.326 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.413 0.103 -8.523 1.00 0.00 H new ATOM 0 HG LEU A 52 2.516 1.883 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.442 2.349 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.912 2.756 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.030 1.280 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.595 0.347 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.115 -0.641 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.187 -0.598 -7.081 1.00 0.00 H new ATOM 796 N ILE A 53 -2.227 2.420 -7.219 1.00 0.00 N ATOM 797 CA ILE A 53 -3.320 2.566 -6.334 1.00 0.00 C ATOM 798 C ILE A 53 -4.598 2.773 -7.152 1.00 0.00 C ATOM 799 O ILE A 53 -5.589 2.120 -6.838 1.00 0.00 O ATOM 800 CB ILE A 53 -2.954 3.574 -5.250 1.00 0.00 C ATOM 801 CG1 ILE A 53 -1.901 2.935 -4.319 1.00 0.00 C ATOM 802 CG2 ILE A 53 -4.200 3.924 -4.457 1.00 0.00 C ATOM 803 CD1 ILE A 53 -2.382 1.731 -3.562 1.00 0.00 C ATOM 0 H ILE A 53 -2.167 3.143 -7.936 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.550 1.672 -5.755 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.547 4.482 -5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.034 2.650 -4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.564 3.686 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.946 4.645 -3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.946 4.357 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.604 3.022 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.576 1.350 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.229 2.010 -2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.691 0.958 -4.266 1.00 0.00 H new ATOM 815 N TYR A 54 -4.584 3.586 -8.230 1.00 0.00 N ATOM 816 CA TYR A 54 -5.783 3.728 -9.068 1.00 0.00 C ATOM 817 C TYR A 54 -5.574 3.977 -10.571 1.00 0.00 C ATOM 818 O TYR A 54 -6.506 3.717 -11.331 1.00 0.00 O ATOM 819 CB TYR A 54 -6.678 4.860 -8.582 1.00 0.00 C ATOM 820 CG TYR A 54 -6.734 5.190 -7.097 1.00 0.00 C ATOM 821 CD1 TYR A 54 -7.517 4.418 -6.216 1.00 0.00 C ATOM 822 CD2 TYR A 54 -5.989 6.274 -6.588 1.00 0.00 C ATOM 823 CE1 TYR A 54 -7.692 4.814 -4.879 1.00 0.00 C ATOM 824 CE2 TYR A 54 -6.063 6.599 -5.221 1.00 0.00 C ATOM 825 CZ TYR A 54 -6.980 5.926 -4.381 1.00 0.00 C ATOM 826 OH TYR A 54 -7.114 6.290 -3.079 1.00 0.00 O ATOM 0 H TYR A 54 -3.780 4.137 -8.530 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.228 2.739 -8.960 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.372 5.766 -9.106 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.694 4.633 -8.904 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.987 3.513 -6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.361 6.855 -7.248 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.368 4.270 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.419 7.363 -4.813 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.010 6.051 -2.763 1.00 0.00 H new ATOM 836 N TYR A 55 -4.405 4.449 -11.025 1.00 0.00 N ATOM 837 CA TYR A 55 -4.091 4.507 -12.458 1.00 0.00 C ATOM 838 C TYR A 55 -3.451 3.236 -13.100 1.00 0.00 C ATOM 839 O TYR A 55 -3.193 3.288 -14.303 1.00 0.00 O ATOM 840 CB TYR A 55 -3.287 5.787 -12.744 1.00 0.00 C ATOM 841 CG TYR A 55 -3.494 6.359 -14.137 1.00 0.00 C ATOM 842 CD1 TYR A 55 -4.727 6.942 -14.490 1.00 0.00 C ATOM 843 CD2 TYR A 55 -2.457 6.295 -15.085 1.00 0.00 C ATOM 844 CE1 TYR A 55 -4.929 7.443 -15.790 1.00 0.00 C ATOM 845 CE2 TYR A 55 -2.649 6.786 -16.386 1.00 0.00 C ATOM 846 CZ TYR A 55 -3.891 7.357 -16.744 1.00 0.00 C ATOM 847 OH TYR A 55 -4.087 7.819 -18.011 1.00 0.00 O ATOM 0 H TYR A 55 -3.661 4.796 -10.420 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.055 4.536 -12.966 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.559 6.545 -12.009 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.227 5.575 -12.605 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.521 7.005 -13.760 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.505 5.865 -14.810 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.874 7.892 -16.057 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.850 6.728 -17.111 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.272 7.684 -18.538 1.00 0.00 H new ATOM 857 N PRO A 56 -3.199 2.090 -12.418 1.00 0.00 N ATOM 858 CA PRO A 56 -2.949 0.813 -13.100 1.00 0.00 C ATOM 859 C PRO A 56 -4.281 0.274 -13.634 1.00 0.00 C ATOM 860 O PRO A 56 -5.221 1.055 -13.812 1.00 0.00 O ATOM 861 CB PRO A 56 -2.343 -0.092 -12.021 1.00 0.00 C ATOM 862 CG PRO A 56 -3.161 0.324 -10.802 1.00 0.00 C ATOM 863 CD PRO A 56 -3.397 1.798 -11.005 1.00 0.00 C ATOM 0 HA PRO A 56 -2.277 0.889 -13.955 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.461 -1.150 -12.256 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.277 0.087 -11.883 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.100 -0.226 -10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.622 0.130 -9.875 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.407 2.069 -10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.709 2.383 -10.394 1.00 0.00 H new ATOM 871 N LYS A 57 -4.351 -1.045 -13.901 1.00 0.00 N ATOM 872 CA LYS A 57 -5.523 -1.938 -14.014 1.00 0.00 C ATOM 873 C LYS A 57 -5.657 -2.519 -15.397 1.00 0.00 C ATOM 874 O LYS A 57 -6.221 -3.584 -15.638 1.00 0.00 O ATOM 875 CB LYS A 57 -6.791 -1.176 -13.699 1.00 0.00 C ATOM 876 CG LYS A 57 -8.055 -2.032 -13.684 1.00 0.00 C ATOM 877 CD LYS A 57 -9.165 -1.194 -13.072 1.00 0.00 C ATOM 878 CE LYS A 57 -9.926 -0.277 -14.061 1.00 0.00 C ATOM 879 NZ LYS A 57 -9.056 0.490 -14.987 1.00 0.00 N ATOM 0 H LYS A 57 -3.491 -1.570 -14.061 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.372 -2.750 -13.302 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.680 -0.697 -12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.914 -0.381 -14.434 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.321 -2.342 -14.695 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.896 -2.941 -13.104 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.883 -1.863 -12.597 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.737 -0.574 -12.284 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.611 -0.888 -14.649 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.535 0.425 -13.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.639 1.138 -15.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.363 1.038 -14.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.556 -0.168 -15.618 1.00 0.00 H new ATOM 893 N GLU A 58 -5.027 -1.810 -16.311 1.00 0.00 N ATOM 894 CA GLU A 58 -5.408 -1.892 -17.700 1.00 0.00 C ATOM 895 C GLU A 58 -4.811 -2.859 -18.681 1.00 0.00 C ATOM 896 O GLU A 58 -5.239 -3.094 -19.812 1.00 0.00 O ATOM 897 CB GLU A 58 -5.540 -0.510 -18.193 1.00 0.00 C ATOM 898 CG GLU A 58 -6.867 -0.390 -18.915 1.00 0.00 C ATOM 899 CD GLU A 58 -8.020 -0.066 -17.940 1.00 0.00 C ATOM 900 OE1 GLU A 58 -8.441 -0.967 -17.182 1.00 0.00 O ATOM 901 OE2 GLU A 58 -8.483 1.093 -17.852 1.00 0.00 O ATOM 0 H GLU A 58 -4.253 -1.175 -16.116 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.337 -2.461 -17.659 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.493 0.196 -17.364 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.718 -0.266 -18.866 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.800 0.391 -19.672 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.083 -1.322 -19.437 1.00 0.00 H new ATOM 908 N GLY A 59 -3.844 -3.470 -18.109 1.00 0.00 N ATOM 909 CA GLY A 59 -3.264 -4.715 -18.463 1.00 0.00 C ATOM 910 C GLY A 59 -2.393 -5.122 -17.270 1.00 0.00 C ATOM 911 O GLY A 59 -1.528 -5.986 -17.401 1.00 0.00 O ATOM 0 H GLY A 59 -3.387 -3.068 -17.291 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.032 -5.463 -18.660 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.667 -4.625 -19.371 1.00 0.00 H new ATOM 915 N ASP A 60 -2.646 -4.484 -16.115 1.00 0.00 N ATOM 916 CA ASP A 60 -1.719 -4.353 -15.010 1.00 0.00 C ATOM 917 C ASP A 60 -2.422 -4.709 -13.731 1.00 0.00 C ATOM 918 O ASP A 60 -3.383 -4.051 -13.345 1.00 0.00 O ATOM 919 CB ASP A 60 -1.173 -2.916 -14.992 1.00 0.00 C ATOM 920 CG ASP A 60 -0.061 -2.732 -16.028 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.083 -3.151 -15.740 1.00 0.00 O ATOM 922 OD2 ASP A 60 -0.379 -2.191 -17.113 1.00 0.00 O ATOM 0 H ASP A 60 -3.542 -4.032 -15.932 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.875 -5.034 -15.122 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.982 -2.214 -15.195 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.790 -2.682 -13.999 1.00 0.00 H new ATOM 927 N ASP A 61 -1.956 -5.811 -13.155 1.00 0.00 N ATOM 928 CA ASP A 61 -2.497 -6.455 -11.970 1.00 0.00 C ATOM 929 C ASP A 61 -2.514 -5.509 -10.773 1.00 0.00 C ATOM 930 O ASP A 61 -1.488 -5.283 -10.136 1.00 0.00 O ATOM 931 CB ASP A 61 -1.862 -7.792 -11.659 1.00 0.00 C ATOM 932 CG ASP A 61 -2.326 -8.447 -10.343 1.00 0.00 C ATOM 933 OD1 ASP A 61 -3.535 -8.364 -10.023 1.00 0.00 O ATOM 934 OD2 ASP A 61 -1.483 -9.084 -9.663 1.00 0.00 O ATOM 0 H ASP A 61 -1.144 -6.305 -13.526 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.535 -6.693 -12.202 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.072 -8.476 -12.481 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.780 -7.663 -11.621 1.00 0.00 H new ATOM 939 N ASP A 62 -3.673 -4.926 -10.493 1.00 0.00 N ATOM 940 CA ASP A 62 -3.909 -3.901 -9.493 1.00 0.00 C ATOM 941 C ASP A 62 -4.802 -4.549 -8.406 1.00 0.00 C ATOM 942 O ASP A 62 -4.365 -4.932 -7.326 1.00 0.00 O ATOM 943 CB ASP A 62 -4.568 -2.683 -10.193 1.00 0.00 C ATOM 944 CG ASP A 62 -6.002 -2.849 -10.725 1.00 0.00 C ATOM 945 OD1 ASP A 62 -6.296 -3.933 -11.282 1.00 0.00 O ATOM 946 OD2 ASP A 62 -6.835 -1.946 -10.503 1.00 0.00 O ATOM 0 H ASP A 62 -4.526 -5.175 -10.993 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.000 -3.533 -9.018 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.567 -1.851 -9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.932 -2.393 -11.030 1.00 0.00 H new ATOM 951 N SER A 63 -6.068 -4.791 -8.699 1.00 0.00 N ATOM 952 CA SER A 63 -7.181 -5.048 -7.795 1.00 0.00 C ATOM 953 C SER A 63 -6.956 -4.244 -6.486 1.00 0.00 C ATOM 954 O SER A 63 -6.548 -3.089 -6.574 1.00 0.00 O ATOM 955 CB SER A 63 -7.329 -6.570 -7.702 1.00 0.00 C ATOM 956 OG SER A 63 -7.391 -7.170 -8.981 1.00 0.00 O ATOM 0 H SER A 63 -6.374 -4.815 -9.672 1.00 0.00 H new ATOM 0 HA SER A 63 -8.153 -4.690 -8.134 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.487 -6.984 -7.147 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.232 -6.814 -7.142 1.00 0.00 H new ATOM 0 HG SER A 63 -7.484 -8.141 -8.883 1.00 0.00 H new ATOM 962 N PRO A 64 -7.198 -4.752 -5.263 1.00 0.00 N ATOM 963 CA PRO A 64 -6.574 -4.179 -4.067 1.00 0.00 C ATOM 964 C PRO A 64 -5.299 -4.885 -3.618 1.00 0.00 C ATOM 965 O PRO A 64 -4.836 -4.724 -2.495 1.00 0.00 O ATOM 966 CB PRO A 64 -7.643 -4.346 -3.023 1.00 0.00 C ATOM 967 CG PRO A 64 -8.285 -5.679 -3.340 1.00 0.00 C ATOM 968 CD PRO A 64 -8.337 -5.571 -4.858 1.00 0.00 C ATOM 0 HA PRO A 64 -6.254 -3.153 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.220 -4.339 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.370 -3.535 -3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.687 -6.525 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.273 -5.786 -2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.286 -6.558 -5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.274 -5.117 -5.181 1.00 0.00 H new ATOM 976 N SER A 65 -4.828 -5.763 -4.477 1.00 0.00 N ATOM 977 CA SER A 65 -3.939 -6.859 -4.227 1.00 0.00 C ATOM 978 C SER A 65 -2.715 -6.978 -5.095 1.00 0.00 C ATOM 979 O SER A 65 -1.630 -6.978 -4.533 1.00 0.00 O ATOM 980 CB SER A 65 -4.799 -8.110 -4.187 1.00 0.00 C ATOM 981 OG SER A 65 -5.801 -8.154 -5.189 1.00 0.00 O ATOM 0 H SER A 65 -5.088 -5.715 -5.462 1.00 0.00 H new ATOM 0 HA SER A 65 -3.447 -6.677 -3.272 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.156 -8.984 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.275 -8.180 -3.209 1.00 0.00 H new ATOM 0 HG SER A 65 -6.313 -8.985 -5.104 1.00 0.00 H new ATOM 987 N GLY A 66 -2.874 -7.082 -6.399 1.00 0.00 N ATOM 988 CA GLY A 66 -1.925 -6.928 -7.459 1.00 0.00 C ATOM 989 C GLY A 66 -1.139 -5.644 -7.307 1.00 0.00 C ATOM 990 O GLY A 66 0.062 -5.620 -7.541 1.00 0.00 O ATOM 0 H GLY A 66 -3.795 -7.306 -6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.242 -7.777 -7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.443 -6.929 -8.418 1.00 0.00 H new ATOM 994 N ILE A 67 -1.759 -4.591 -6.788 1.00 0.00 N ATOM 995 CA ILE A 67 -1.033 -3.387 -6.475 1.00 0.00 C ATOM 996 C ILE A 67 -0.053 -3.490 -5.339 1.00 0.00 C ATOM 997 O ILE A 67 1.096 -3.056 -5.395 1.00 0.00 O ATOM 998 CB ILE A 67 -1.976 -2.238 -6.156 1.00 0.00 C ATOM 999 CG1 ILE A 67 -3.069 -2.577 -5.129 1.00 0.00 C ATOM 1000 CG2 ILE A 67 -2.571 -1.666 -7.447 1.00 0.00 C ATOM 1001 CD1 ILE A 67 -4.144 -1.475 -5.051 1.00 0.00 C ATOM 0 H ILE A 67 -2.757 -4.555 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.459 -3.206 -7.384 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.370 -1.474 -5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.538 -3.524 -5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.616 -2.712 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.244 -0.844 -7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.768 -1.300 -8.087 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.125 -2.446 -7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.897 -1.753 -4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.679 -0.534 -4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.616 -1.358 -6.026 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.506 -4.110 -4.280 1.00 0.00 N ATOM 1014 CA VAL A 68 0.351 -4.396 -3.154 1.00 0.00 C ATOM 1015 C VAL A 68 1.382 -5.381 -3.650 1.00 0.00 C ATOM 1016 O VAL A 68 2.529 -5.369 -3.235 1.00 0.00 O ATOM 1017 CB VAL A 68 -0.496 -5.032 -2.060 1.00 0.00 C ATOM 1018 CG1 VAL A 68 0.196 -4.921 -0.705 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -1.851 -4.383 -1.986 1.00 0.00 C ATOM 0 H VAL A 68 -1.469 -4.429 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 68 0.830 -3.502 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.621 -6.086 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.428 -5.382 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.158 -5.431 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.352 -3.870 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.438 -4.854 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.735 -3.322 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.364 -4.502 -2.940 1.00 0.00 H new ATOM 1029 N ASN A 69 0.961 -6.207 -4.587 1.00 0.00 N ATOM 1030 CA ASN A 69 1.781 -7.101 -5.367 1.00 0.00 C ATOM 1031 C ASN A 69 2.790 -6.358 -6.194 1.00 0.00 C ATOM 1032 O ASN A 69 3.857 -6.895 -6.423 1.00 0.00 O ATOM 1033 CB ASN A 69 0.969 -8.018 -6.209 1.00 0.00 C ATOM 1034 CG ASN A 69 1.012 -9.497 -5.871 1.00 0.00 C ATOM 1035 OD1 ASN A 69 1.942 -10.017 -5.262 1.00 0.00 O ATOM 1036 ND2 ASN A 69 -0.064 -10.183 -6.202 1.00 0.00 N ATOM 0 H ASN A 69 -0.026 -6.273 -4.837 1.00 0.00 H new ATOM 0 HA ASN A 69 2.329 -7.717 -4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.070 -7.691 -6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.291 -7.899 -7.244 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.137 -11.169 -5.952 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.823 -9.728 -6.708 1.00 0.00 H new ATOM 1043 N THR A 70 2.507 -5.138 -6.616 1.00 0.00 N ATOM 1044 CA THR A 70 3.388 -4.444 -7.509 1.00 0.00 C ATOM 1045 C THR A 70 4.605 -4.020 -6.699 1.00 0.00 C ATOM 1046 O THR A 70 5.763 -4.212 -7.080 1.00 0.00 O ATOM 1047 CB THR A 70 2.664 -3.257 -8.155 1.00 0.00 C ATOM 1048 OG1 THR A 70 1.578 -3.709 -8.938 1.00 0.00 O ATOM 1049 CG2 THR A 70 3.551 -2.415 -9.075 1.00 0.00 C ATOM 0 H THR A 70 1.672 -4.616 -6.349 1.00 0.00 H new ATOM 0 HA THR A 70 3.710 -5.082 -8.332 1.00 0.00 H new ATOM 0 HB THR A 70 2.341 -2.637 -7.319 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.056 -4.362 -8.427 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.967 -1.595 -9.493 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.387 -2.010 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.932 -3.039 -9.884 1.00 0.00 H new ATOM 1057 N VAL A 71 4.327 -3.583 -5.473 1.00 0.00 N ATOM 1058 CA VAL A 71 5.306 -3.377 -4.452 1.00 0.00 C ATOM 1059 C VAL A 71 5.960 -4.690 -4.207 1.00 0.00 C ATOM 1060 O VAL A 71 7.170 -4.736 -4.134 1.00 0.00 O ATOM 1061 CB VAL A 71 4.664 -2.873 -3.166 1.00 0.00 C ATOM 1062 CG1 VAL A 71 5.600 -2.837 -1.996 1.00 0.00 C ATOM 1063 CG2 VAL A 71 4.255 -1.484 -3.497 1.00 0.00 C ATOM 0 H VAL A 71 3.379 -3.360 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 71 6.027 -2.624 -4.771 1.00 0.00 H new ATOM 0 HB VAL A 71 3.852 -3.535 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.071 -2.467 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.974 -3.842 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.437 -2.176 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.778 -1.029 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.134 -0.902 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.552 -1.500 -4.330 1.00 0.00 H new ATOM 1073 N LYS A 72 5.203 -5.774 -4.094 1.00 0.00 N ATOM 1074 CA LYS A 72 5.805 -7.062 -3.779 1.00 0.00 C ATOM 1075 C LYS A 72 6.808 -7.601 -4.771 1.00 0.00 C ATOM 1076 O LYS A 72 7.326 -8.694 -4.589 1.00 0.00 O ATOM 1077 CB LYS A 72 4.735 -8.105 -3.518 1.00 0.00 C ATOM 1078 CG LYS A 72 4.881 -8.398 -2.054 1.00 0.00 C ATOM 1079 CD LYS A 72 4.242 -7.251 -1.269 1.00 0.00 C ATOM 1080 CE LYS A 72 2.974 -7.735 -0.552 1.00 0.00 C ATOM 1081 NZ LYS A 72 2.440 -6.746 0.410 1.00 0.00 N ATOM 0 H LYS A 72 4.190 -5.789 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 72 6.387 -6.857 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.740 -7.727 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.889 -8.998 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.398 -9.343 -1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.934 -8.499 -1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.953 -6.860 -0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.995 -6.432 -1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.208 -7.962 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.193 -8.664 -0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.445 -6.967 0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.995 -6.782 1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.504 -5.793 -0.001 1.00 0.00 H new ATOM 1095 N GLN A 73 7.044 -6.826 -5.805 1.00 0.00 N ATOM 1096 CA GLN A 73 7.843 -7.070 -6.948 1.00 0.00 C ATOM 1097 C GLN A 73 8.937 -6.028 -7.084 1.00 0.00 C ATOM 1098 O GLN A 73 10.106 -6.383 -7.106 1.00 0.00 O ATOM 1099 CB GLN A 73 6.965 -7.333 -8.177 1.00 0.00 C ATOM 1100 CG GLN A 73 6.102 -8.533 -7.777 1.00 0.00 C ATOM 1101 CD GLN A 73 5.178 -9.085 -8.845 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.601 -9.739 -9.790 1.00 0.00 O ATOM 1103 NE2 GLN A 73 3.891 -8.844 -8.657 1.00 0.00 N ATOM 0 H GLN A 73 6.620 -5.900 -5.853 1.00 0.00 H new ATOM 0 HA GLN A 73 8.404 -7.998 -6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.351 -6.466 -8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.569 -7.553 -9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.763 -9.335 -7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.497 -8.247 -6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.587 -8.293 -7.854 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.202 -9.209 -9.315 1.00 0.00 H new ATOM 1112 N TRP A 74 8.599 -4.746 -7.014 1.00 0.00 N ATOM 1113 CA TRP A 74 9.526 -3.642 -6.861 1.00 0.00 C ATOM 1114 C TRP A 74 10.280 -3.814 -5.559 1.00 0.00 C ATOM 1115 O TRP A 74 11.457 -4.110 -5.564 1.00 0.00 O ATOM 1116 CB TRP A 74 8.859 -2.302 -6.942 1.00 0.00 C ATOM 1117 CG TRP A 74 9.865 -1.243 -7.281 1.00 0.00 C ATOM 1118 CD1 TRP A 74 10.260 -0.959 -8.534 1.00 0.00 C ATOM 1119 CD2 TRP A 74 10.617 -0.328 -6.441 1.00 0.00 C ATOM 1120 NE1 TRP A 74 11.291 -0.051 -8.535 1.00 0.00 N ATOM 1121 CE2 TRP A 74 11.494 0.441 -7.272 1.00 0.00 C ATOM 1122 CE3 TRP A 74 10.569 0.008 -5.080 1.00 0.00 C ATOM 1123 CZ2 TRP A 74 12.266 1.507 -6.790 1.00 0.00 C ATOM 1124 CZ3 TRP A 74 11.293 1.109 -4.612 1.00 0.00 C ATOM 1125 CH2 TRP A 74 12.139 1.862 -5.441 1.00 0.00 C ATOM 0 H TRP A 74 7.628 -4.439 -7.065 1.00 0.00 H new ATOM 0 HA TRP A 74 10.226 -3.664 -7.696 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.074 -2.323 -7.698 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.380 -2.068 -5.991 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.824 -1.389 -9.424 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.829 0.219 -9.359 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.975 -0.581 -4.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.941 2.041 -7.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.198 1.390 -3.574 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.685 2.705 -5.044 1.00 0.00 H new ATOM 1136 N ARG A 75 9.604 -3.750 -4.420 1.00 0.00 N ATOM 1137 CA ARG A 75 10.136 -4.006 -3.091 1.00 0.00 C ATOM 1138 C ARG A 75 10.770 -5.363 -2.943 1.00 0.00 C ATOM 1139 O ARG A 75 11.438 -5.588 -1.950 1.00 0.00 O ATOM 1140 CB ARG A 75 8.968 -4.050 -2.092 1.00 0.00 C ATOM 1141 CG ARG A 75 9.371 -3.752 -0.656 1.00 0.00 C ATOM 1142 CD ARG A 75 8.581 -4.600 0.317 1.00 0.00 C ATOM 1143 NE ARG A 75 9.162 -5.950 0.483 1.00 0.00 N ATOM 1144 CZ ARG A 75 8.487 -7.092 0.626 1.00 0.00 C ATOM 1145 NH1 ARG A 75 7.381 -7.296 -0.062 1.00 0.00 N ATOM 1146 NH2 ARG A 75 8.897 -8.015 1.477 1.00 0.00 N ATOM 0 H ARG A 75 8.614 -3.504 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 75 10.870 -3.219 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.210 -3.331 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.506 -5.037 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.437 -3.942 -0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.207 -2.696 -0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.545 -4.101 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.553 -4.690 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 75 10.180 -6.014 0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.041 -6.580 -0.704 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.866 -8.169 0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.738 -7.859 2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.373 -8.884 1.578 1.00 0.00 H new ATOM 1160 N ALA A 76 10.529 -6.286 -3.851 1.00 0.00 N ATOM 1161 CA ALA A 76 11.173 -7.580 -3.762 1.00 0.00 C ATOM 1162 C ALA A 76 12.384 -7.701 -4.648 1.00 0.00 C ATOM 1163 O ALA A 76 13.270 -8.504 -4.372 1.00 0.00 O ATOM 1164 CB ALA A 76 10.174 -8.701 -3.997 1.00 0.00 C ATOM 0 H ALA A 76 9.902 -6.168 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 76 11.550 -7.676 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.682 -9.662 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.386 -8.650 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.736 -8.596 -4.990 1.00 0.00 H new ATOM 1170 N ALA A 77 12.450 -6.839 -5.648 1.00 0.00 N ATOM 1171 CA ALA A 77 13.553 -6.820 -6.591 1.00 0.00 C ATOM 1172 C ALA A 77 14.594 -5.798 -6.227 1.00 0.00 C ATOM 1173 O ALA A 77 15.796 -5.999 -6.366 1.00 0.00 O ATOM 1174 CB ALA A 77 13.005 -6.537 -7.991 1.00 0.00 C ATOM 0 H ALA A 77 11.738 -6.131 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 77 14.040 -7.795 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.827 -6.521 -8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.297 -7.317 -8.269 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.500 -5.571 -7.996 1.00 0.00 H new ATOM 1180 N ASN A 78 14.082 -4.710 -5.696 1.00 0.00 N ATOM 1181 CA ASN A 78 14.779 -3.744 -4.914 1.00 0.00 C ATOM 1182 C ASN A 78 15.084 -4.282 -3.524 1.00 0.00 C ATOM 1183 O ASN A 78 15.966 -3.818 -2.815 1.00 0.00 O ATOM 1184 CB ASN A 78 13.849 -2.538 -4.907 1.00 0.00 C ATOM 1185 CG ASN A 78 14.641 -1.246 -4.703 1.00 0.00 C ATOM 1186 OD1 ASN A 78 15.378 -1.083 -3.746 1.00 0.00 O ATOM 1187 ND2 ASN A 78 14.485 -0.271 -5.577 1.00 0.00 N ATOM 0 H ASN A 78 13.097 -4.471 -5.815 1.00 0.00 H new ATOM 0 HA ASN A 78 15.758 -3.483 -5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.301 -2.490 -5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.110 -2.647 -4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.979 0.612 -5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.870 -0.400 -6.380 1.00 0.00 H new ATOM 1194 N GLY A 79 14.331 -5.316 -3.172 1.00 0.00 N ATOM 1195 CA GLY A 79 14.462 -6.067 -1.932 1.00 0.00 C ATOM 1196 C GLY A 79 14.205 -5.161 -0.733 1.00 0.00 C ATOM 1197 O GLY A 79 14.782 -5.386 0.327 1.00 0.00 O ATOM 0 H GLY A 79 13.582 -5.668 -3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.756 -6.898 -1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.461 -6.497 -1.864 1.00 0.00 H new ATOM 1201 N LYS A 80 13.375 -4.122 -0.928 1.00 0.00 N ATOM 1202 CA LYS A 80 13.369 -2.922 -0.046 1.00 0.00 C ATOM 1203 C LYS A 80 13.453 -3.177 1.460 1.00 0.00 C ATOM 1204 O LYS A 80 14.103 -2.476 2.228 1.00 0.00 O ATOM 1205 CB LYS A 80 12.235 -1.931 -0.203 1.00 0.00 C ATOM 1206 CG LYS A 80 12.050 -1.607 -1.654 1.00 0.00 C ATOM 1207 CD LYS A 80 12.745 -0.480 -2.205 1.00 0.00 C ATOM 1208 CE LYS A 80 12.343 0.842 -1.658 1.00 0.00 C ATOM 1209 NZ LYS A 80 13.343 1.896 -1.928 1.00 0.00 N ATOM 0 H LYS A 80 12.695 -4.081 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 80 14.294 -2.496 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.315 -2.347 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.452 -1.022 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.341 -2.487 -2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.984 -1.453 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.813 -0.615 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.591 -0.471 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.386 1.134 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.193 0.756 -0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.424 2.518 -1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.265 1.457 -2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.044 2.455 -2.752 1.00 0.00 H new ATOM 1223 N SER A 81 12.587 -4.095 1.839 1.00 0.00 N ATOM 1224 CA SER A 81 12.006 -4.379 3.130 1.00 0.00 C ATOM 1225 C SER A 81 11.418 -5.763 3.085 1.00 0.00 C ATOM 1226 O SER A 81 11.346 -6.456 2.069 1.00 0.00 O ATOM 1227 CB SER A 81 10.991 -3.294 3.489 1.00 0.00 C ATOM 1228 OG SER A 81 10.364 -2.727 2.360 1.00 0.00 O ATOM 0 H SER A 81 12.226 -4.750 1.146 1.00 0.00 H new ATOM 0 HA SER A 81 12.755 -4.364 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.231 -3.719 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.493 -2.507 4.052 1.00 0.00 H new ATOM 0 HG SER A 81 10.548 -1.765 2.333 1.00 0.00 H new ATOM 1234 N GLY A 82 11.022 -6.150 4.272 1.00 0.00 N ATOM 1235 CA GLY A 82 10.670 -7.497 4.642 1.00 0.00 C ATOM 1236 C GLY A 82 9.498 -7.573 5.582 1.00 0.00 C ATOM 1237 O GLY A 82 9.267 -8.600 6.210 1.00 0.00 O ATOM 0 H GLY A 82 10.932 -5.496 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.440 -8.065 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.532 -7.974 5.109 1.00 0.00 H new ATOM 1241 N PHE A 83 8.800 -6.453 5.667 1.00 0.00 N ATOM 1242 CA PHE A 83 7.760 -6.136 6.551 1.00 0.00 C ATOM 1243 C PHE A 83 8.027 -6.675 7.939 1.00 0.00 C ATOM 1244 O PHE A 83 8.902 -6.240 8.684 1.00 0.00 O ATOM 1245 CB PHE A 83 6.418 -6.494 5.921 1.00 0.00 C ATOM 1246 CG PHE A 83 5.876 -5.734 4.746 1.00 0.00 C ATOM 1247 CD1 PHE A 83 6.430 -5.941 3.493 1.00 0.00 C ATOM 1248 CD2 PHE A 83 4.725 -4.939 4.859 1.00 0.00 C ATOM 1249 CE1 PHE A 83 5.903 -5.308 2.365 1.00 0.00 C ATOM 1250 CE2 PHE A 83 4.214 -4.305 3.721 1.00 0.00 C ATOM 1251 CZ PHE A 83 4.775 -4.474 2.437 1.00 0.00 C ATOM 0 H PHE A 83 8.993 -5.676 5.035 1.00 0.00 H new ATOM 0 HA PHE A 83 7.709 -5.060 6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.478 -7.540 5.621 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.670 -6.431 6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.279 -6.600 3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.238 -4.818 5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.378 -5.465 1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.355 -3.660 3.830 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.362 -3.992 1.563 1.00 0.00 H new ATOM 1261 N LYS A 84 7.161 -7.603 8.213 1.00 0.00 N ATOM 1262 CA LYS A 84 6.645 -8.189 9.377 1.00 0.00 C ATOM 1263 C LYS A 84 5.865 -9.374 8.835 1.00 0.00 C ATOM 1264 O LYS A 84 5.517 -9.444 7.651 1.00 0.00 O ATOM 1265 CB LYS A 84 5.964 -7.101 10.149 1.00 0.00 C ATOM 1266 CG LYS A 84 6.133 -7.398 11.632 1.00 0.00 C ATOM 1267 CD LYS A 84 5.507 -6.340 12.497 1.00 0.00 C ATOM 1268 CE LYS A 84 3.972 -6.226 12.507 1.00 0.00 C ATOM 1269 NZ LYS A 84 3.282 -7.288 13.274 1.00 0.00 N ATOM 0 H LYS A 84 6.711 -8.054 7.417 1.00 0.00 H new ATOM 0 HA LYS A 84 7.318 -8.598 10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.397 -6.131 9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.907 -7.053 9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.684 -8.365 11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.195 -7.476 11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.835 -6.510 13.522 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.911 -5.376 12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.695 -5.257 12.923 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.612 -6.246 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.334 -7.443 12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.830 -8.170 13.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.197 -6.998 14.269 1.00 0.00 H new ATOM 1283 N GLN A 85 5.623 -10.318 9.712 1.00 0.00 N ATOM 1284 CA GLN A 85 5.008 -11.605 9.407 1.00 0.00 C ATOM 1285 C GLN A 85 3.778 -11.902 10.229 1.00 0.00 C ATOM 1286 O GLN A 85 2.739 -12.269 9.690 1.00 0.00 O ATOM 1287 CB GLN A 85 5.983 -12.722 9.370 1.00 0.00 C ATOM 1288 CG GLN A 85 6.189 -13.433 8.033 1.00 0.00 C ATOM 1289 CD GLN A 85 5.137 -14.495 7.682 1.00 0.00 C ATOM 1290 OE1 GLN A 85 5.484 -15.575 7.223 1.00 0.00 O ATOM 1291 NE2 GLN A 85 3.847 -14.259 7.879 1.00 0.00 N ATOM 0 H GLN A 85 5.855 -10.215 10.700 1.00 0.00 H new ATOM 0 HA GLN A 85 4.638 -11.510 8.386 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.948 -12.337 9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.670 -13.466 10.102 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.203 -12.684 7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.171 -13.907 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.545 -13.363 8.261 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.157 -14.974 7.649 1.00 0.00 H new ATOM 1300 N GLY A 86 3.967 -11.761 11.525 1.00 0.00 N ATOM 1301 CA GLY A 86 2.934 -11.557 12.518 1.00 0.00 C ATOM 1302 C GLY A 86 3.349 -10.362 13.359 1.00 0.00 C ATOM 1303 O GLY A 86 4.477 -9.863 13.149 1.00 0.00 O ATOM 1304 OXT GLY A 86 2.527 -9.844 14.131 1.00 0.00 O ATOM 0 H GLY A 86 4.900 -11.787 11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 86 1.971 -11.375 12.040 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.818 -12.444 13.141 1.00 0.00 H new