USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=28 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 27 THR OG1 : rot -32:sc= -0.293 USER MOD Set 1.2: A 28 SER OG : rot 173:sc= 0.474 USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0.0164 USER MOD Set 2.2: A 8 SER OG : rot 180:sc= -0.172 USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= 2.05 (180deg=0.976) USER MOD Single : A 5 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.14) USER MOD Single : A 10 TYR OH : rot 114:sc= 2.15 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -122:sc= 1.23 USER MOD Single : A 23 CYS SG : rot 70:sc= 0.239 USER MOD Single : A 24 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.011) USER MOD Single : A 29 SER OG : rot 6:sc= 0.278 USER MOD Single : A 35 LYS NZ :NH3+ -105:sc= 0.0517 (180deg=-3.67!) USER MOD Single : A 38 THR OG1 : rot 30:sc= 1.23 USER MOD Single : A 39 HIS : no HE2:sc= -4.14 K(o=-4.1,f=-6.3!) USER MOD Single : A 43 MET CE :methyl 147:sc= -0.968 (180deg=-3.63!) USER MOD Single : A 44 THR OG1 : rot -17:sc= 0.699 USER MOD Single : A 46 HIS : no HD1:sc= -3.08 K(o=-3.1,f=-6.2!) USER MOD Single : A 48 SER OG : rot -75:sc= 1.3 USER MOD Single : A 50 SER OG : rot -85:sc= 1.15 USER MOD Single : A 54 TYR OH : rot 150:sc= 0 USER MOD Single : A 55 TYR OH : rot 115:sc= 0.624 USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= -0.536 (180deg=-0.62) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.111 USER MOD Single : A 69 ASN : amide:sc= -0.0754 X(o=-0.075,f=-0.36) USER MOD Single : A 70 THR OG1 : rot 110:sc= 0.593 USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -5.28! (180deg=-5.53!) USER MOD Single : A 73 GLN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.0565 K(o=-0.056,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ -120:sc= -2.83! (180deg=-6.05!) USER MOD Single : A 81 SER OG : rot -18:sc= 1.09 USER MOD Single : A 84 LYS NZ :NH3+ -157:sc= 2.21 (180deg=1.91) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -1.796 2.030 10.423 1.00 0.00 N ATOM 36 CA LEU A 3 -0.855 3.027 10.041 1.00 0.00 C ATOM 37 C LEU A 3 0.315 2.786 10.932 1.00 0.00 C ATOM 38 O LEU A 3 0.178 2.244 12.034 1.00 0.00 O ATOM 39 CB LEU A 3 -1.337 4.448 10.325 1.00 0.00 C ATOM 40 CG LEU A 3 -2.211 4.975 9.191 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.441 6.462 9.399 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.478 4.863 7.861 1.00 0.00 C ATOM 0 HA LEU A 3 -0.660 2.958 8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.900 4.463 11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.478 5.105 10.460 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.137 4.400 9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.065 6.850 8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.940 6.623 10.354 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.483 6.982 9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.114 5.243 7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.559 5.447 7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.235 3.818 7.666 1.00 0.00 H new ATOM 54 N LYS A 4 1.460 3.197 10.437 1.00 0.00 N ATOM 55 CA LYS A 4 2.717 2.783 10.959 1.00 0.00 C ATOM 56 C LYS A 4 3.695 3.935 10.948 1.00 0.00 C ATOM 57 O LYS A 4 3.370 5.065 10.599 1.00 0.00 O ATOM 58 CB LYS A 4 3.186 1.505 10.252 1.00 0.00 C ATOM 59 CG LYS A 4 3.462 0.382 11.266 1.00 0.00 C ATOM 60 CD LYS A 4 2.200 -0.127 11.995 1.00 0.00 C ATOM 61 CE LYS A 4 2.246 -1.193 13.104 1.00 0.00 C ATOM 62 NZ LYS A 4 1.915 -2.562 12.657 1.00 0.00 N ATOM 0 H LYS A 4 1.532 3.839 9.647 1.00 0.00 H new ATOM 0 HA LYS A 4 2.630 2.506 12.010 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.427 1.179 9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.090 1.713 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.933 -0.454 10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.177 0.742 12.006 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.718 0.750 12.428 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.531 -0.511 11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.244 -1.200 13.542 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.553 -0.906 13.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.671 -3.147 13.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.105 -2.528 12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.735 -2.976 12.169 1.00 0.00 H new ATOM 76 N HIS A 5 4.894 3.629 11.410 1.00 0.00 N ATOM 77 CA HIS A 5 6.072 4.463 11.219 1.00 0.00 C ATOM 78 C HIS A 5 6.783 4.123 9.935 1.00 0.00 C ATOM 79 O HIS A 5 7.522 4.912 9.361 1.00 0.00 O ATOM 80 CB HIS A 5 7.039 4.345 12.401 1.00 0.00 C ATOM 81 CG HIS A 5 6.433 3.729 13.630 1.00 0.00 C ATOM 82 ND1 HIS A 5 5.476 4.287 14.449 1.00 0.00 N ATOM 83 CD2 HIS A 5 6.525 2.400 13.920 1.00 0.00 C ATOM 84 CE1 HIS A 5 4.999 3.301 15.229 1.00 0.00 C ATOM 85 NE2 HIS A 5 5.594 2.136 14.931 1.00 0.00 N ATOM 0 H HIS A 5 5.082 2.778 11.939 1.00 0.00 H new ATOM 0 HA HIS A 5 5.725 5.495 11.159 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.899 3.749 12.095 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.412 5.338 12.652 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.190 1.686 13.457 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.243 3.429 15.989 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.404 1.230 15.360 1.00 0.00 H new ATOM 93 N SER A 6 6.567 2.888 9.547 1.00 0.00 N ATOM 94 CA SER A 6 7.323 2.183 8.589 1.00 0.00 C ATOM 95 C SER A 6 6.490 1.194 7.824 1.00 0.00 C ATOM 96 O SER A 6 5.585 0.565 8.366 1.00 0.00 O ATOM 97 CB SER A 6 8.414 1.430 9.299 1.00 0.00 C ATOM 98 OG SER A 6 8.223 1.247 10.699 1.00 0.00 O ATOM 0 H SER A 6 5.804 2.330 9.929 1.00 0.00 H new ATOM 0 HA SER A 6 7.725 2.908 7.882 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.517 0.450 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.355 1.957 9.144 1.00 0.00 H new ATOM 0 HG SER A 6 8.980 0.748 11.070 1.00 0.00 H new ATOM 104 N ILE A 7 7.006 0.869 6.650 1.00 0.00 N ATOM 105 CA ILE A 7 6.616 -0.319 5.926 1.00 0.00 C ATOM 106 C ILE A 7 6.931 -1.629 6.686 1.00 0.00 C ATOM 107 O ILE A 7 6.725 -2.736 6.209 1.00 0.00 O ATOM 108 CB ILE A 7 7.238 -0.236 4.526 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.540 -1.218 3.579 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.780 -0.317 4.578 1.00 0.00 C ATOM 111 CD1 ILE A 7 7.404 -1.739 2.467 1.00 0.00 C ATOM 0 H ILE A 7 7.712 1.430 6.173 1.00 0.00 H new ATOM 0 HA ILE A 7 5.531 -0.355 5.827 1.00 0.00 H new ATOM 0 HB ILE A 7 7.057 0.748 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.171 -2.063 4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.670 -0.726 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.182 -0.255 3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.168 0.509 5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.080 -1.263 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.826 -2.426 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.752 -0.906 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.262 -2.264 2.888 1.00 0.00 H new ATOM 123 N SER A 8 7.439 -1.540 7.901 1.00 0.00 N ATOM 124 CA SER A 8 8.164 -2.569 8.549 1.00 0.00 C ATOM 125 C SER A 8 7.777 -2.708 9.985 1.00 0.00 C ATOM 126 O SER A 8 8.066 -3.758 10.560 1.00 0.00 O ATOM 127 CB SER A 8 9.581 -2.110 8.397 1.00 0.00 C ATOM 128 OG SER A 8 10.108 -1.296 9.433 1.00 0.00 O ATOM 0 H SER A 8 7.342 -0.701 8.473 1.00 0.00 H new ATOM 0 HA SER A 8 7.980 -3.557 8.127 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.215 -2.992 8.303 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.660 -1.559 7.460 1.00 0.00 H new ATOM 0 HG SER A 8 11.036 -1.062 9.225 1.00 0.00 H new ATOM 134 N ASP A 9 7.104 -1.688 10.551 1.00 0.00 N ATOM 135 CA ASP A 9 6.367 -2.041 11.752 1.00 0.00 C ATOM 136 C ASP A 9 5.117 -2.799 11.375 1.00 0.00 C ATOM 137 O ASP A 9 4.455 -3.325 12.269 1.00 0.00 O ATOM 138 CB ASP A 9 6.017 -0.917 12.735 1.00 0.00 C ATOM 139 CG ASP A 9 6.650 -1.306 14.073 1.00 0.00 C ATOM 140 OD1 ASP A 9 6.126 -2.274 14.684 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.726 -0.756 14.385 1.00 0.00 O ATOM 0 H ASP A 9 7.059 -0.720 10.233 1.00 0.00 H new ATOM 0 HA ASP A 9 7.074 -2.652 12.313 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.404 0.040 12.385 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.937 -0.808 12.833 1.00 0.00 H new ATOM 146 N TYR A 10 4.787 -2.902 10.082 1.00 0.00 N ATOM 147 CA TYR A 10 3.589 -3.624 9.682 1.00 0.00 C ATOM 148 C TYR A 10 3.952 -4.768 8.746 1.00 0.00 C ATOM 149 O TYR A 10 5.015 -4.778 8.121 1.00 0.00 O ATOM 150 CB TYR A 10 2.487 -2.651 9.214 1.00 0.00 C ATOM 151 CG TYR A 10 2.551 -2.033 7.849 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.704 -2.178 7.088 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.426 -1.387 7.292 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.742 -1.705 5.797 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.518 -0.800 6.014 1.00 0.00 C ATOM 156 CZ TYR A 10 2.736 -0.884 5.302 1.00 0.00 C ATOM 157 OH TYR A 10 3.013 -0.254 4.137 1.00 0.00 O ATOM 0 H TYR A 10 5.325 -2.501 9.314 1.00 0.00 H new ATOM 0 HA TYR A 10 3.128 -4.122 10.535 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.538 -3.182 9.283 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.449 -1.835 9.936 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.572 -2.663 7.511 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.498 -1.343 7.843 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.568 -1.976 5.157 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.668 -0.292 5.584 1.00 0.00 H new ATOM 0 HH TYR A 10 2.424 -0.595 3.432 1.00 0.00 H new ATOM 167 N THR A 11 3.132 -5.803 8.718 1.00 0.00 N ATOM 168 CA THR A 11 3.392 -6.944 7.865 1.00 0.00 C ATOM 169 C THR A 11 2.935 -6.625 6.453 1.00 0.00 C ATOM 170 O THR A 11 2.252 -5.646 6.156 1.00 0.00 O ATOM 171 CB THR A 11 2.836 -8.251 8.470 1.00 0.00 C ATOM 172 OG1 THR A 11 1.812 -8.853 7.698 1.00 0.00 O ATOM 173 CG2 THR A 11 2.296 -8.161 9.901 1.00 0.00 C ATOM 0 H THR A 11 2.281 -5.875 9.276 1.00 0.00 H new ATOM 0 HA THR A 11 4.463 -7.137 7.800 1.00 0.00 H new ATOM 0 HB THR A 11 3.741 -8.859 8.474 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.510 -9.674 8.139 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.934 -9.140 10.216 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.092 -7.836 10.571 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.477 -7.443 9.936 1.00 0.00 H new ATOM 181 N GLU A 12 3.321 -7.501 5.547 1.00 0.00 N ATOM 182 CA GLU A 12 3.007 -7.343 4.156 1.00 0.00 C ATOM 183 C GLU A 12 1.502 -7.502 3.878 1.00 0.00 C ATOM 184 O GLU A 12 0.966 -6.929 2.921 1.00 0.00 O ATOM 185 CB GLU A 12 3.877 -8.380 3.456 1.00 0.00 C ATOM 186 CG GLU A 12 3.938 -7.997 2.005 1.00 0.00 C ATOM 187 CD GLU A 12 4.888 -8.896 1.205 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.399 -9.911 0.682 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.070 -8.501 1.020 1.00 0.00 O ATOM 0 H GLU A 12 3.861 -8.339 5.762 1.00 0.00 H new ATOM 0 HA GLU A 12 3.218 -6.340 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.876 -8.402 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.456 -9.379 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.938 -8.054 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.264 -6.960 1.919 1.00 0.00 H new ATOM 196 N ALA A 13 0.821 -8.249 4.747 1.00 0.00 N ATOM 197 CA ALA A 13 -0.619 -8.462 4.685 1.00 0.00 C ATOM 198 C ALA A 13 -1.329 -7.332 5.409 1.00 0.00 C ATOM 199 O ALA A 13 -2.436 -6.969 5.036 1.00 0.00 O ATOM 200 CB ALA A 13 -0.975 -9.814 5.310 1.00 0.00 C ATOM 0 H ALA A 13 1.267 -8.731 5.528 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.942 -8.471 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.053 -9.965 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.471 -10.611 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.655 -9.829 6.352 1.00 0.00 H new ATOM 206 N GLU A 14 -0.656 -6.731 6.383 1.00 0.00 N ATOM 207 CA GLU A 14 -1.094 -5.536 7.067 1.00 0.00 C ATOM 208 C GLU A 14 -1.289 -4.402 6.063 1.00 0.00 C ATOM 209 O GLU A 14 -2.309 -3.724 6.035 1.00 0.00 O ATOM 210 CB GLU A 14 -0.008 -5.193 8.097 1.00 0.00 C ATOM 211 CG GLU A 14 -0.669 -4.552 9.309 1.00 0.00 C ATOM 212 CD GLU A 14 0.131 -4.523 10.614 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.148 -5.241 10.735 1.00 0.00 O ATOM 214 OE2 GLU A 14 -0.162 -3.649 11.460 1.00 0.00 O ATOM 0 H GLU A 14 0.240 -7.080 6.725 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.051 -5.687 7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.530 -6.094 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.724 -4.513 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.926 -3.525 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.605 -5.077 9.499 1.00 0.00 H new ATOM 221 N PHE A 15 -0.319 -4.239 5.171 1.00 0.00 N ATOM 222 CA PHE A 15 -0.386 -3.231 4.134 1.00 0.00 C ATOM 223 C PHE A 15 -1.345 -3.625 3.049 1.00 0.00 C ATOM 224 O PHE A 15 -1.948 -2.758 2.426 1.00 0.00 O ATOM 225 CB PHE A 15 0.962 -3.109 3.467 1.00 0.00 C ATOM 226 CG PHE A 15 1.148 -1.933 2.520 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.567 -0.670 2.764 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.074 -2.068 1.476 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.079 0.468 2.119 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.606 -0.935 0.843 1.00 0.00 C ATOM 231 CZ PHE A 15 2.149 0.337 1.213 1.00 0.00 C ATOM 0 H PHE A 15 0.531 -4.803 5.151 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.704 -2.303 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.723 -3.044 4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.152 -4.027 2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.267 -0.579 3.444 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.380 -3.053 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.653 1.441 2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.361 -1.042 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.618 1.219 0.802 1.00 0.00 H new ATOM 241 N LEU A 16 -1.455 -4.928 2.786 1.00 0.00 N ATOM 242 CA LEU A 16 -2.391 -5.345 1.764 1.00 0.00 C ATOM 243 C LEU A 16 -3.786 -4.942 2.184 1.00 0.00 C ATOM 244 O LEU A 16 -4.526 -4.345 1.418 1.00 0.00 O ATOM 245 CB LEU A 16 -2.234 -6.846 1.597 1.00 0.00 C ATOM 246 CG LEU A 16 -3.118 -7.539 0.551 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.529 -6.709 -0.648 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.333 -8.710 -0.076 1.00 0.00 C ATOM 0 H LEU A 16 -0.932 -5.674 3.245 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.201 -4.868 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.193 -7.049 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.426 -7.314 2.563 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.011 -7.803 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.150 -7.311 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.094 -5.839 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.639 -6.379 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.955 -9.208 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.430 -8.329 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.059 -9.422 0.702 1.00 0.00 H new ATOM 260 N GLN A 17 -4.083 -5.182 3.446 1.00 0.00 N ATOM 261 CA GLN A 17 -5.266 -4.866 4.133 1.00 0.00 C ATOM 262 C GLN A 17 -5.473 -3.372 4.124 1.00 0.00 C ATOM 263 O GLN A 17 -6.589 -2.903 3.958 1.00 0.00 O ATOM 264 CB GLN A 17 -5.211 -5.474 5.535 1.00 0.00 C ATOM 265 CG GLN A 17 -6.351 -4.951 6.391 1.00 0.00 C ATOM 266 CD GLN A 17 -6.647 -5.877 7.571 1.00 0.00 C ATOM 267 OE1 GLN A 17 -7.145 -6.987 7.403 1.00 0.00 O ATOM 268 NE2 GLN A 17 -6.338 -5.467 8.786 1.00 0.00 N ATOM 0 H GLN A 17 -3.415 -5.653 4.056 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.136 -5.298 3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.268 -6.560 5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.257 -5.233 6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.100 -3.958 6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.246 -4.845 5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.924 -4.545 8.923 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.513 -6.072 9.588 1.00 0.00 H new ATOM 277 N LEU A 18 -4.388 -2.625 4.234 1.00 0.00 N ATOM 278 CA LEU A 18 -4.493 -1.201 4.265 1.00 0.00 C ATOM 279 C LEU A 18 -4.929 -0.652 2.905 1.00 0.00 C ATOM 280 O LEU A 18 -5.875 0.128 2.820 1.00 0.00 O ATOM 281 CB LEU A 18 -3.196 -0.598 4.733 1.00 0.00 C ATOM 282 CG LEU A 18 -3.370 0.904 4.979 1.00 0.00 C ATOM 283 CD1 LEU A 18 -2.701 1.720 3.860 1.00 0.00 C ATOM 284 CD2 LEU A 18 -4.735 1.447 5.390 1.00 0.00 C ATOM 0 H LEU A 18 -3.438 -2.989 4.302 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.267 -0.918 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.868 -1.089 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.419 -0.764 3.987 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.842 1.047 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.837 2.784 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.636 1.490 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.156 1.465 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.673 2.527 5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.466 1.217 4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.043 0.985 6.328 1.00 0.00 H new ATOM 296 N VAL A 19 -4.305 -1.126 1.822 1.00 0.00 N ATOM 297 CA VAL A 19 -4.694 -0.742 0.437 1.00 0.00 C ATOM 298 C VAL A 19 -6.188 -1.092 0.302 1.00 0.00 C ATOM 299 O VAL A 19 -6.975 -0.362 -0.284 1.00 0.00 O ATOM 300 CB VAL A 19 -3.889 -1.606 -0.504 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.413 -1.462 -1.926 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.436 -1.143 -0.400 1.00 0.00 C ATOM 0 H VAL A 19 -3.523 -1.780 1.865 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.519 0.311 0.218 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.969 -2.661 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.825 -2.089 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.457 -1.772 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.332 -0.421 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.815 -1.742 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.367 -0.093 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.088 -1.263 0.626 1.00 0.00 H new ATOM 312 N THR A 20 -6.573 -2.231 0.868 1.00 0.00 N ATOM 313 CA THR A 20 -7.894 -2.817 0.923 1.00 0.00 C ATOM 314 C THR A 20 -8.853 -1.972 1.787 1.00 0.00 C ATOM 315 O THR A 20 -10.031 -1.946 1.471 1.00 0.00 O ATOM 316 CB THR A 20 -7.618 -4.269 1.371 1.00 0.00 C ATOM 317 OG1 THR A 20 -7.375 -5.086 0.239 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.485 -4.983 2.388 1.00 0.00 C ATOM 0 H THR A 20 -5.893 -2.821 1.346 1.00 0.00 H new ATOM 0 HA THR A 20 -8.440 -2.832 -0.020 1.00 0.00 H new ATOM 0 HB THR A 20 -6.744 -4.107 2.001 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.199 -6.005 0.531 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.103 -5.991 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.467 -4.435 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.509 -5.037 2.019 1.00 0.00 H new ATOM 326 N THR A 21 -8.392 -1.189 2.766 1.00 0.00 N ATOM 327 CA THR A 21 -9.113 -0.153 3.506 1.00 0.00 C ATOM 328 C THR A 21 -9.376 1.069 2.611 1.00 0.00 C ATOM 329 O THR A 21 -10.354 1.780 2.827 1.00 0.00 O ATOM 330 CB THR A 21 -8.255 0.183 4.746 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.756 -0.426 5.915 1.00 0.00 O ATOM 332 CG2 THR A 21 -8.006 1.674 4.986 1.00 0.00 C ATOM 0 H THR A 21 -7.427 -1.271 3.086 1.00 0.00 H new ATOM 0 HA THR A 21 -10.097 -0.495 3.826 1.00 0.00 H new ATOM 0 HB THR A 21 -7.279 -0.241 4.507 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.949 0.262 6.585 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.395 1.802 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.487 2.099 4.127 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.959 2.185 5.123 1.00 0.00 H new ATOM 340 N ILE A 22 -8.535 1.323 1.609 1.00 0.00 N ATOM 341 CA ILE A 22 -8.622 2.426 0.655 1.00 0.00 C ATOM 342 C ILE A 22 -9.589 2.014 -0.445 1.00 0.00 C ATOM 343 O ILE A 22 -10.560 2.705 -0.728 1.00 0.00 O ATOM 344 CB ILE A 22 -7.254 2.799 0.037 1.00 0.00 C ATOM 345 CG1 ILE A 22 -6.118 2.686 1.059 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.315 4.210 -0.542 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.828 3.403 0.707 1.00 0.00 C ATOM 0 H ILE A 22 -7.726 0.728 1.432 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.970 3.312 1.185 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.041 2.090 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.476 3.073 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.894 1.630 1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.349 4.467 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.083 4.253 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.557 4.918 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.099 3.252 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.433 3.004 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.024 4.469 0.592 1.00 0.00 H new ATOM 359 N CYS A 23 -9.382 0.812 -0.983 1.00 0.00 N ATOM 360 CA CYS A 23 -10.362 0.131 -1.797 1.00 0.00 C ATOM 361 C CYS A 23 -11.633 -0.149 -0.982 1.00 0.00 C ATOM 362 O CYS A 23 -12.617 -0.566 -1.591 1.00 0.00 O ATOM 363 CB CYS A 23 -9.770 -1.147 -2.425 1.00 0.00 C ATOM 364 SG CYS A 23 -8.186 -0.785 -3.247 1.00 0.00 S ATOM 0 H CYS A 23 -8.517 0.287 -0.859 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.645 0.781 -2.625 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.621 -1.902 -1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.473 -1.563 -3.146 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.282 -0.520 -2.351 1.00 0.00 H new ATOM 369 N ASN A 24 -11.639 0.089 0.349 1.00 0.00 N ATOM 370 CA ASN A 24 -12.910 0.007 1.107 1.00 0.00 C ATOM 371 C ASN A 24 -13.524 1.369 1.449 1.00 0.00 C ATOM 372 O ASN A 24 -14.744 1.449 1.558 1.00 0.00 O ATOM 373 CB ASN A 24 -12.787 -0.859 2.371 1.00 0.00 C ATOM 374 CG ASN A 24 -14.141 -1.153 3.016 1.00 0.00 C ATOM 375 OD1 ASN A 24 -14.769 -2.164 2.725 1.00 0.00 O ATOM 376 ND2 ASN A 24 -14.614 -0.323 3.931 1.00 0.00 N ATOM 0 H ASN A 24 -10.817 0.330 0.902 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.601 -0.482 0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.298 -1.799 2.117 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.147 -0.352 3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.500 -0.525 4.393 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.092 0.519 4.174 1.00 0.00 H new ATOM 383 N ALA A 25 -12.715 2.420 1.654 1.00 0.00 N ATOM 384 CA ALA A 25 -13.101 3.682 2.312 1.00 0.00 C ATOM 385 C ALA A 25 -13.712 3.352 3.678 1.00 0.00 C ATOM 386 O ALA A 25 -14.666 3.961 4.143 1.00 0.00 O ATOM 387 CB ALA A 25 -14.042 4.476 1.383 1.00 0.00 C ATOM 0 H ALA A 25 -11.739 2.416 1.356 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.239 4.324 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.329 5.409 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.529 4.696 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.934 3.885 1.178 1.00 0.00 H new ATOM 393 N ASP A 26 -13.030 2.427 4.354 1.00 0.00 N ATOM 394 CA ASP A 26 -13.064 2.035 5.771 1.00 0.00 C ATOM 395 C ASP A 26 -13.002 3.200 6.766 1.00 0.00 C ATOM 396 O ASP A 26 -13.294 3.091 7.950 1.00 0.00 O ATOM 397 CB ASP A 26 -11.838 1.136 5.878 1.00 0.00 C ATOM 398 CG ASP A 26 -11.333 0.794 7.283 1.00 0.00 C ATOM 399 OD1 ASP A 26 -12.051 0.132 8.052 1.00 0.00 O ATOM 400 OD2 ASP A 26 -10.138 1.110 7.525 1.00 0.00 O ATOM 0 H ASP A 26 -12.347 1.856 3.855 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.008 1.560 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.060 0.201 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.023 1.613 5.334 1.00 0.00 H new ATOM 405 N THR A 27 -12.584 4.322 6.223 1.00 0.00 N ATOM 406 CA THR A 27 -12.012 5.480 6.873 1.00 0.00 C ATOM 407 C THR A 27 -12.989 6.587 7.265 1.00 0.00 C ATOM 408 O THR A 27 -14.211 6.432 7.214 1.00 0.00 O ATOM 409 CB THR A 27 -10.847 5.958 6.013 1.00 0.00 C ATOM 410 OG1 THR A 27 -11.283 6.844 5.010 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.993 4.874 5.360 1.00 0.00 C ATOM 0 H THR A 27 -12.642 4.459 5.214 1.00 0.00 H new ATOM 0 HA THR A 27 -11.659 5.172 7.857 1.00 0.00 H new ATOM 0 HB THR A 27 -10.200 6.453 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.189 6.599 4.729 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.199 5.339 4.776 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.553 4.243 6.132 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.616 4.265 4.705 1.00 0.00 H new ATOM 419 N SER A 28 -12.419 7.754 7.600 1.00 0.00 N ATOM 420 CA SER A 28 -13.137 9.012 7.694 1.00 0.00 C ATOM 421 C SER A 28 -14.017 9.300 6.496 1.00 0.00 C ATOM 422 O SER A 28 -14.951 10.086 6.628 1.00 0.00 O ATOM 423 CB SER A 28 -12.165 10.140 7.941 1.00 0.00 C ATOM 424 OG SER A 28 -11.170 10.244 6.964 1.00 0.00 O ATOM 0 H SER A 28 -11.426 7.840 7.815 1.00 0.00 H new ATOM 0 HA SER A 28 -13.818 8.925 8.540 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.716 11.079 7.989 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.694 9.997 8.914 1.00 0.00 H new ATOM 0 HG SER A 28 -10.642 11.054 7.120 1.00 0.00 H new ATOM 430 N SER A 29 -13.676 8.658 5.374 1.00 0.00 N ATOM 431 CA SER A 29 -14.529 8.363 4.216 1.00 0.00 C ATOM 432 C SER A 29 -14.205 9.015 2.899 1.00 0.00 C ATOM 433 O SER A 29 -14.770 8.638 1.875 1.00 0.00 O ATOM 434 CB SER A 29 -15.979 8.502 4.470 1.00 0.00 C ATOM 435 OG SER A 29 -16.472 7.713 5.550 1.00 0.00 O ATOM 0 H SER A 29 -12.728 8.305 5.241 1.00 0.00 H new ATOM 0 HA SER A 29 -14.263 7.313 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.200 9.550 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.521 8.232 3.563 1.00 0.00 H new ATOM 0 HG SER A 29 -15.722 7.277 6.006 1.00 0.00 H new ATOM 441 N GLU A 30 -13.228 9.902 2.911 1.00 0.00 N ATOM 442 CA GLU A 30 -12.597 10.283 1.657 1.00 0.00 C ATOM 443 C GLU A 30 -11.162 10.767 1.834 1.00 0.00 C ATOM 444 O GLU A 30 -10.396 10.974 0.898 1.00 0.00 O ATOM 445 CB GLU A 30 -13.470 11.377 0.997 1.00 0.00 C ATOM 446 CG GLU A 30 -13.249 11.605 -0.506 1.00 0.00 C ATOM 447 CD GLU A 30 -14.245 12.635 -1.067 1.00 0.00 C ATOM 448 OE1 GLU A 30 -14.145 13.822 -0.675 1.00 0.00 O ATOM 449 OE2 GLU A 30 -15.103 12.240 -1.890 1.00 0.00 O ATOM 0 H GLU A 30 -12.861 10.361 3.745 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.531 9.402 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.518 11.121 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.291 12.318 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.230 11.951 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.360 10.661 -1.039 1.00 0.00 H new ATOM 456 N GLU A 31 -10.747 10.785 3.086 1.00 0.00 N ATOM 457 CA GLU A 31 -9.664 11.599 3.546 1.00 0.00 C ATOM 458 C GLU A 31 -8.477 10.867 4.087 1.00 0.00 C ATOM 459 O GLU A 31 -7.399 10.885 3.509 1.00 0.00 O ATOM 460 CB GLU A 31 -10.374 12.418 4.547 1.00 0.00 C ATOM 461 CG GLU A 31 -9.691 13.578 5.239 1.00 0.00 C ATOM 462 CD GLU A 31 -10.033 13.656 6.738 1.00 0.00 C ATOM 463 OE1 GLU A 31 -10.158 12.575 7.369 1.00 0.00 O ATOM 464 OE2 GLU A 31 -10.151 14.788 7.254 1.00 0.00 O ATOM 0 H GLU A 31 -11.170 10.217 3.820 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.171 12.157 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.263 12.818 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.717 11.739 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.612 13.483 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.984 14.509 4.754 1.00 0.00 H new ATOM 471 N GLU A 32 -8.756 10.150 5.160 1.00 0.00 N ATOM 472 CA GLU A 32 -7.965 9.041 5.605 1.00 0.00 C ATOM 473 C GLU A 32 -7.699 8.159 4.417 1.00 0.00 C ATOM 474 O GLU A 32 -6.661 7.564 4.346 1.00 0.00 O ATOM 475 CB GLU A 32 -8.672 8.229 6.607 1.00 0.00 C ATOM 476 CG GLU A 32 -8.318 8.657 8.027 1.00 0.00 C ATOM 477 CD GLU A 32 -6.906 8.342 8.530 1.00 0.00 C ATOM 478 OE1 GLU A 32 -6.032 7.883 7.761 1.00 0.00 O ATOM 479 OE2 GLU A 32 -6.607 8.678 9.700 1.00 0.00 O ATOM 0 H GLU A 32 -9.563 10.336 5.755 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.051 9.431 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.748 8.320 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.418 7.178 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.469 9.734 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.029 8.188 8.707 1.00 0.00 H new ATOM 486 N LEU A 33 -8.618 8.084 3.467 1.00 0.00 N ATOM 487 CA LEU A 33 -8.409 7.378 2.236 1.00 0.00 C ATOM 488 C LEU A 33 -7.183 7.888 1.516 1.00 0.00 C ATOM 489 O LEU A 33 -6.212 7.163 1.455 1.00 0.00 O ATOM 490 CB LEU A 33 -9.674 7.514 1.412 1.00 0.00 C ATOM 491 CG LEU A 33 -10.586 6.383 1.890 1.00 0.00 C ATOM 492 CD1 LEU A 33 -11.971 6.949 2.140 1.00 0.00 C ATOM 493 CD2 LEU A 33 -10.571 5.346 0.768 1.00 0.00 C ATOM 0 H LEU A 33 -9.537 8.521 3.541 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.215 6.322 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.141 8.487 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.462 7.425 0.347 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.261 5.924 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.633 6.153 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.914 7.726 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.362 7.375 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.206 4.504 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.945 5.798 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.551 4.995 0.610 1.00 0.00 H new ATOM 505 N VAL A 34 -7.178 9.123 1.037 1.00 0.00 N ATOM 506 CA VAL A 34 -6.015 9.802 0.455 1.00 0.00 C ATOM 507 C VAL A 34 -4.802 9.793 1.387 1.00 0.00 C ATOM 508 O VAL A 34 -3.656 9.796 0.959 1.00 0.00 O ATOM 509 CB VAL A 34 -6.482 11.197 0.068 1.00 0.00 C ATOM 510 CG1 VAL A 34 -5.397 12.276 -0.066 1.00 0.00 C ATOM 511 CG2 VAL A 34 -7.292 11.136 -1.231 1.00 0.00 C ATOM 0 H VAL A 34 -8.014 9.708 1.040 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.654 9.275 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.087 11.514 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.858 13.223 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.879 12.391 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.682 11.980 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.623 12.139 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.670 10.732 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.161 10.494 -1.088 1.00 0.00 H new ATOM 521 N LYS A 35 -5.022 9.731 2.681 1.00 0.00 N ATOM 522 CA LYS A 35 -3.973 9.726 3.672 1.00 0.00 C ATOM 523 C LYS A 35 -3.400 8.319 3.817 1.00 0.00 C ATOM 524 O LYS A 35 -2.211 8.188 4.094 1.00 0.00 O ATOM 525 CB LYS A 35 -4.592 10.367 4.894 1.00 0.00 C ATOM 526 CG LYS A 35 -3.780 10.153 6.141 1.00 0.00 C ATOM 527 CD LYS A 35 -4.480 10.900 7.276 1.00 0.00 C ATOM 528 CE LYS A 35 -3.887 10.587 8.650 1.00 0.00 C ATOM 529 NZ LYS A 35 -4.086 9.177 9.025 1.00 0.00 N ATOM 0 H LYS A 35 -5.959 9.681 3.082 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.084 10.304 3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.705 11.437 4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.592 9.961 5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.703 9.090 6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.764 10.525 6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.414 11.973 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.539 10.641 7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.821 10.815 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.348 11.231 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.838 9.111 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.359 8.629 8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.202 8.794 9.416 1.00 0.00 H new ATOM 543 N LEU A 36 -4.182 7.271 3.572 1.00 0.00 N ATOM 544 CA LEU A 36 -3.778 5.912 3.412 1.00 0.00 C ATOM 545 C LEU A 36 -3.178 5.787 2.025 1.00 0.00 C ATOM 546 O LEU A 36 -2.246 4.997 1.889 1.00 0.00 O ATOM 547 CB LEU A 36 -5.026 5.038 3.705 1.00 0.00 C ATOM 548 CG LEU A 36 -5.287 5.023 5.213 1.00 0.00 C ATOM 549 CD1 LEU A 36 -6.597 4.392 5.613 1.00 0.00 C ATOM 550 CD2 LEU A 36 -4.147 4.679 6.147 1.00 0.00 C ATOM 0 H LEU A 36 -5.192 7.379 3.476 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.004 5.569 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.894 5.434 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.867 4.023 3.341 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.380 6.095 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.700 4.424 6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.420 4.940 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.619 3.355 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.499 4.713 7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.781 3.677 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.339 5.398 6.015 1.00 0.00 H new ATOM 562 N VAL A 37 -3.614 6.580 1.025 1.00 0.00 N ATOM 563 CA VAL A 37 -3.007 6.560 -0.269 1.00 0.00 C ATOM 564 C VAL A 37 -1.567 7.048 -0.097 1.00 0.00 C ATOM 565 O VAL A 37 -0.637 6.358 -0.490 1.00 0.00 O ATOM 566 CB VAL A 37 -3.868 7.270 -1.354 1.00 0.00 C ATOM 567 CG1 VAL A 37 -5.354 6.900 -1.492 1.00 0.00 C ATOM 568 CG2 VAL A 37 -3.498 8.626 -1.967 1.00 0.00 C ATOM 0 H VAL A 37 -4.390 7.236 1.116 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.960 5.551 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.297 6.648 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.802 7.487 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.445 5.839 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.870 7.111 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.253 8.912 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.451 9.380 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.527 8.551 -2.457 1.00 0.00 H new ATOM 578 N THR A 38 -1.376 8.142 0.637 1.00 0.00 N ATOM 579 CA THR A 38 -0.083 8.731 0.933 1.00 0.00 C ATOM 580 C THR A 38 0.747 7.828 1.828 1.00 0.00 C ATOM 581 O THR A 38 1.930 7.657 1.577 1.00 0.00 O ATOM 582 CB THR A 38 -0.227 10.171 1.395 1.00 0.00 C ATOM 583 OG1 THR A 38 0.306 11.101 0.471 1.00 0.00 O ATOM 584 CG2 THR A 38 0.332 10.499 2.784 1.00 0.00 C ATOM 0 H THR A 38 -2.150 8.658 1.055 1.00 0.00 H new ATOM 0 HA THR A 38 0.501 8.801 0.015 1.00 0.00 H new ATOM 0 HB THR A 38 -1.310 10.270 1.461 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.228 10.741 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.170 11.555 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.176 9.892 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.400 10.283 2.807 1.00 0.00 H new ATOM 592 N HIS A 39 0.159 7.187 2.843 1.00 0.00 N ATOM 593 CA HIS A 39 0.890 6.170 3.580 1.00 0.00 C ATOM 594 C HIS A 39 1.319 5.032 2.660 1.00 0.00 C ATOM 595 O HIS A 39 2.274 4.353 3.002 1.00 0.00 O ATOM 596 CB HIS A 39 0.083 5.626 4.751 1.00 0.00 C ATOM 597 CG HIS A 39 0.963 5.195 5.900 1.00 0.00 C ATOM 598 ND1 HIS A 39 1.730 6.037 6.674 1.00 0.00 N ATOM 599 CD2 HIS A 39 1.092 3.927 6.410 1.00 0.00 C ATOM 600 CE1 HIS A 39 2.286 5.297 7.647 1.00 0.00 C ATOM 601 NE2 HIS A 39 1.895 4.010 7.559 1.00 0.00 N ATOM 0 H HIS A 39 -0.796 7.353 3.162 1.00 0.00 H new ATOM 0 HA HIS A 39 1.782 6.649 3.985 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.613 6.390 5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.514 4.778 4.415 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.853 7.040 6.534 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.655 3.028 6.001 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.957 5.682 8.400 1.00 0.00 H new ATOM 609 N PHE A 40 0.679 4.801 1.510 1.00 0.00 N ATOM 610 CA PHE A 40 1.247 3.869 0.549 1.00 0.00 C ATOM 611 C PHE A 40 2.514 4.461 -0.056 1.00 0.00 C ATOM 612 O PHE A 40 3.593 3.890 0.086 1.00 0.00 O ATOM 613 CB PHE A 40 0.248 3.443 -0.527 1.00 0.00 C ATOM 614 CG PHE A 40 0.686 2.159 -1.180 1.00 0.00 C ATOM 615 CD1 PHE A 40 1.776 2.134 -2.067 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.064 0.961 -0.811 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.178 0.915 -2.630 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.468 -0.254 -1.388 1.00 0.00 C ATOM 619 CZ PHE A 40 1.493 -0.272 -2.333 1.00 0.00 C ATOM 0 H PHE A 40 -0.203 5.233 1.233 1.00 0.00 H new ATOM 0 HA PHE A 40 1.506 2.955 1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.739 3.313 -0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.159 4.227 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.299 3.046 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.730 0.971 -0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.025 0.890 -3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.016 -1.175 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.757 -1.193 -2.832 1.00 0.00 H new ATOM 629 N GLU A 41 2.351 5.596 -0.728 1.00 0.00 N ATOM 630 CA GLU A 41 3.388 6.434 -1.329 1.00 0.00 C ATOM 631 C GLU A 41 4.647 6.520 -0.469 1.00 0.00 C ATOM 632 O GLU A 41 5.763 6.346 -0.960 1.00 0.00 O ATOM 633 CB GLU A 41 2.884 7.815 -1.694 1.00 0.00 C ATOM 634 CG GLU A 41 1.607 7.942 -2.517 1.00 0.00 C ATOM 635 CD GLU A 41 1.241 9.416 -2.757 1.00 0.00 C ATOM 636 OE1 GLU A 41 1.761 9.976 -3.747 1.00 0.00 O ATOM 637 OE2 GLU A 41 0.457 9.984 -1.960 1.00 0.00 O ATOM 0 H GLU A 41 1.420 5.985 -0.879 1.00 0.00 H new ATOM 0 HA GLU A 41 3.663 5.934 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.733 8.366 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.679 8.322 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.737 7.437 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.788 7.441 -2.001 1.00 0.00 H new ATOM 644 N GLU A 42 4.426 6.752 0.818 1.00 0.00 N ATOM 645 CA GLU A 42 5.396 7.034 1.855 1.00 0.00 C ATOM 646 C GLU A 42 6.213 5.784 2.113 1.00 0.00 C ATOM 647 O GLU A 42 7.443 5.759 2.147 1.00 0.00 O ATOM 648 CB GLU A 42 4.656 7.530 3.069 1.00 0.00 C ATOM 649 CG GLU A 42 5.262 7.614 4.472 1.00 0.00 C ATOM 650 CD GLU A 42 6.309 8.715 4.703 1.00 0.00 C ATOM 651 OE1 GLU A 42 6.881 9.231 3.718 1.00 0.00 O ATOM 652 OE2 GLU A 42 6.516 9.049 5.895 1.00 0.00 O ATOM 0 H GLU A 42 3.477 6.746 1.191 1.00 0.00 H new ATOM 0 HA GLU A 42 6.099 7.814 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.314 8.536 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.768 6.905 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.451 7.760 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.721 6.653 4.703 1.00 0.00 H new ATOM 659 N MET A 43 5.459 4.705 2.288 1.00 0.00 N ATOM 660 CA MET A 43 5.932 3.541 2.962 1.00 0.00 C ATOM 661 C MET A 43 6.998 2.800 2.197 1.00 0.00 C ATOM 662 O MET A 43 8.023 2.388 2.738 1.00 0.00 O ATOM 663 CB MET A 43 4.736 2.617 3.223 1.00 0.00 C ATOM 664 CG MET A 43 4.221 2.680 4.664 1.00 0.00 C ATOM 665 SD MET A 43 4.287 4.327 5.406 1.00 0.00 S ATOM 666 CE MET A 43 5.712 4.150 6.486 1.00 0.00 C ATOM 0 H MET A 43 4.497 4.631 1.957 1.00 0.00 H new ATOM 0 HA MET A 43 6.397 3.861 3.894 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.926 2.883 2.544 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.022 1.591 2.992 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.190 2.326 4.685 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.806 1.994 5.277 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.238 5.102 6.553 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.380 3.848 7.479 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.383 3.392 6.082 1.00 0.00 H new ATOM 676 N THR A 44 6.684 2.536 0.941 1.00 0.00 N ATOM 677 CA THR A 44 7.334 1.475 0.215 1.00 0.00 C ATOM 678 C THR A 44 8.531 1.915 -0.621 1.00 0.00 C ATOM 679 O THR A 44 9.103 1.052 -1.304 1.00 0.00 O ATOM 680 CB THR A 44 6.237 0.679 -0.509 1.00 0.00 C ATOM 681 OG1 THR A 44 6.827 -0.295 -1.335 1.00 0.00 O ATOM 682 CG2 THR A 44 5.233 1.556 -1.271 1.00 0.00 C ATOM 0 H THR A 44 5.981 3.047 0.407 1.00 0.00 H new ATOM 0 HA THR A 44 7.841 0.798 0.903 1.00 0.00 H new ATOM 0 HB THR A 44 5.638 0.184 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.771 -0.075 -1.477 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.490 0.922 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.736 2.230 -0.573 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.760 2.140 -2.026 1.00 0.00 H new ATOM 690 N GLU A 45 8.912 3.199 -0.594 1.00 0.00 N ATOM 691 CA GLU A 45 9.956 3.734 -1.473 1.00 0.00 C ATOM 692 C GLU A 45 9.646 3.407 -2.945 1.00 0.00 C ATOM 693 O GLU A 45 10.567 3.218 -3.745 1.00 0.00 O ATOM 694 CB GLU A 45 11.334 3.193 -1.063 1.00 0.00 C ATOM 695 CG GLU A 45 11.786 3.346 0.400 1.00 0.00 C ATOM 696 CD GLU A 45 12.969 2.398 0.606 1.00 0.00 C ATOM 697 OE1 GLU A 45 14.046 2.668 0.028 1.00 0.00 O ATOM 698 OE2 GLU A 45 12.758 1.213 0.951 1.00 0.00 O ATOM 0 H GLU A 45 8.506 3.892 0.035 1.00 0.00 H new ATOM 0 HA GLU A 45 9.975 4.819 -1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.357 2.131 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.080 3.680 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.077 4.376 0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.972 3.101 1.082 1.00 0.00 H new ATOM 705 N HIS A 46 8.366 3.188 -3.278 1.00 0.00 N ATOM 706 CA HIS A 46 8.028 2.487 -4.499 1.00 0.00 C ATOM 707 C HIS A 46 7.935 3.488 -5.652 1.00 0.00 C ATOM 708 O HIS A 46 7.212 4.472 -5.511 1.00 0.00 O ATOM 709 CB HIS A 46 6.732 1.675 -4.375 1.00 0.00 C ATOM 710 CG HIS A 46 6.340 1.012 -5.676 1.00 0.00 C ATOM 711 ND1 HIS A 46 5.430 1.516 -6.574 1.00 0.00 N ATOM 712 CD2 HIS A 46 6.881 -0.116 -6.239 1.00 0.00 C ATOM 713 CE1 HIS A 46 5.436 0.718 -7.658 1.00 0.00 C ATOM 714 NE2 HIS A 46 6.304 -0.288 -7.493 1.00 0.00 N ATOM 0 H HIS A 46 7.566 3.486 -2.720 1.00 0.00 H new ATOM 0 HA HIS A 46 8.822 1.767 -4.700 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.856 0.913 -3.605 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.926 2.331 -4.047 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.624 -0.757 -5.788 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.827 0.868 -8.537 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.503 -1.035 -8.158 1.00 0.00 H new ATOM 722 N PRO A 47 8.545 3.177 -6.811 1.00 0.00 N ATOM 723 CA PRO A 47 8.429 3.902 -8.078 1.00 0.00 C ATOM 724 C PRO A 47 7.120 4.632 -8.321 1.00 0.00 C ATOM 725 O PRO A 47 7.125 5.825 -8.598 1.00 0.00 O ATOM 726 CB PRO A 47 8.673 2.852 -9.169 1.00 0.00 C ATOM 727 CG PRO A 47 9.347 1.691 -8.444 1.00 0.00 C ATOM 728 CD PRO A 47 9.414 2.025 -6.996 1.00 0.00 C ATOM 0 HA PRO A 47 9.155 4.715 -8.071 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.738 2.539 -9.634 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.308 3.246 -9.963 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.785 0.770 -8.596 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.348 1.523 -8.842 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.083 1.185 -6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.436 2.255 -6.695 1.00 0.00 H new ATOM 736 N SER A 48 6.031 3.883 -8.234 1.00 0.00 N ATOM 737 CA SER A 48 4.714 4.288 -8.662 1.00 0.00 C ATOM 738 C SER A 48 3.743 4.345 -7.479 1.00 0.00 C ATOM 739 O SER A 48 2.572 4.089 -7.628 1.00 0.00 O ATOM 740 CB SER A 48 4.312 3.415 -9.859 1.00 0.00 C ATOM 741 OG SER A 48 4.732 4.043 -11.050 1.00 0.00 O ATOM 0 H SER A 48 6.049 2.940 -7.847 1.00 0.00 H new ATOM 0 HA SER A 48 4.693 5.315 -9.028 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.766 2.428 -9.774 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.232 3.269 -9.872 1.00 0.00 H new ATOM 0 HG SER A 48 4.134 4.792 -11.253 1.00 0.00 H new ATOM 747 N GLY A 49 4.231 4.587 -6.266 1.00 0.00 N ATOM 748 CA GLY A 49 3.519 4.916 -5.032 1.00 0.00 C ATOM 749 C GLY A 49 2.221 5.663 -5.302 1.00 0.00 C ATOM 750 O GLY A 49 1.144 5.168 -4.980 1.00 0.00 O ATOM 0 H GLY A 49 5.238 4.555 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.302 3.999 -4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.161 5.524 -4.395 1.00 0.00 H new ATOM 754 N SER A 50 2.338 6.828 -5.927 1.00 0.00 N ATOM 755 CA SER A 50 1.239 7.719 -6.250 1.00 0.00 C ATOM 756 C SER A 50 0.292 7.157 -7.312 1.00 0.00 C ATOM 757 O SER A 50 -0.694 7.821 -7.632 1.00 0.00 O ATOM 758 CB SER A 50 1.856 9.028 -6.766 1.00 0.00 C ATOM 759 OG SER A 50 2.931 9.447 -5.937 1.00 0.00 O ATOM 0 H SER A 50 3.241 7.190 -6.234 1.00 0.00 H new ATOM 0 HA SER A 50 0.638 7.863 -5.352 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.212 8.888 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.093 9.806 -6.798 1.00 0.00 H new ATOM 0 HG SER A 50 2.579 9.958 -5.178 1.00 0.00 H new ATOM 765 N ASP A 51 0.522 5.951 -7.849 1.00 0.00 N ATOM 766 CA ASP A 51 0.009 5.521 -9.103 1.00 0.00 C ATOM 767 C ASP A 51 -0.573 4.151 -8.826 1.00 0.00 C ATOM 768 O ASP A 51 -1.659 3.873 -9.326 1.00 0.00 O ATOM 769 CB ASP A 51 1.144 5.395 -10.141 1.00 0.00 C ATOM 770 CG ASP A 51 2.132 6.553 -10.331 1.00 0.00 C ATOM 771 OD1 ASP A 51 1.804 7.727 -10.037 1.00 0.00 O ATOM 772 OD2 ASP A 51 3.248 6.225 -10.803 1.00 0.00 O ATOM 0 H ASP A 51 1.093 5.244 -7.386 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.721 6.223 -9.506 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.725 4.510 -9.882 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.681 5.200 -11.108 1.00 0.00 H new ATOM 777 N LEU A 52 0.063 3.285 -8.002 1.00 0.00 N ATOM 778 CA LEU A 52 -0.303 1.886 -7.959 1.00 0.00 C ATOM 779 C LEU A 52 -1.351 1.697 -6.926 1.00 0.00 C ATOM 780 O LEU A 52 -1.216 0.874 -6.035 1.00 0.00 O ATOM 781 CB LEU A 52 0.833 0.918 -7.726 1.00 0.00 C ATOM 782 CG LEU A 52 2.041 1.203 -6.858 1.00 0.00 C ATOM 783 CD1 LEU A 52 1.775 1.898 -5.548 1.00 0.00 C ATOM 784 CD2 LEU A 52 2.651 -0.136 -6.510 1.00 0.00 C ATOM 0 H LEU A 52 0.822 3.546 -7.372 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.666 1.644 -8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.379 0.012 -7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.223 0.668 -8.713 1.00 0.00 H new ATOM 0 HG LEU A 52 2.670 1.878 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.715 2.047 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.308 2.865 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.108 1.286 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.529 0.016 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.920 -0.740 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.944 -0.651 -7.425 1.00 0.00 H new ATOM 796 N ILE A 53 -2.375 2.513 -6.997 1.00 0.00 N ATOM 797 CA ILE A 53 -3.514 2.419 -6.163 1.00 0.00 C ATOM 798 C ILE A 53 -4.748 2.452 -7.082 1.00 0.00 C ATOM 799 O ILE A 53 -5.859 2.224 -6.612 1.00 0.00 O ATOM 800 CB ILE A 53 -3.306 3.452 -5.061 1.00 0.00 C ATOM 801 CG1 ILE A 53 -2.043 3.030 -4.267 1.00 0.00 C ATOM 802 CG2 ILE A 53 -4.525 3.571 -4.156 1.00 0.00 C ATOM 803 CD1 ILE A 53 -2.098 1.778 -3.466 1.00 0.00 C ATOM 0 H ILE A 53 -2.425 3.282 -7.665 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.682 1.498 -5.605 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.167 4.442 -5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.221 2.935 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.788 3.846 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.334 4.317 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.389 3.873 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.725 2.608 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.140 1.621 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.885 1.860 -2.716 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.310 0.935 -4.123 1.00 0.00 H new ATOM 815 N TYR A 54 -4.541 2.693 -8.399 1.00 0.00 N ATOM 816 CA TYR A 54 -5.560 3.184 -9.327 1.00 0.00 C ATOM 817 C TYR A 54 -5.160 3.600 -10.765 1.00 0.00 C ATOM 818 O TYR A 54 -6.026 3.577 -11.637 1.00 0.00 O ATOM 819 CB TYR A 54 -6.440 4.268 -8.688 1.00 0.00 C ATOM 820 CG TYR A 54 -5.705 5.267 -7.793 1.00 0.00 C ATOM 821 CD1 TYR A 54 -4.347 5.491 -8.034 1.00 0.00 C ATOM 822 CD2 TYR A 54 -6.251 5.796 -6.601 1.00 0.00 C ATOM 823 CE1 TYR A 54 -3.557 6.233 -7.199 1.00 0.00 C ATOM 824 CE2 TYR A 54 -5.435 6.534 -5.712 1.00 0.00 C ATOM 825 CZ TYR A 54 -4.084 6.805 -6.031 1.00 0.00 C ATOM 826 OH TYR A 54 -3.274 7.470 -5.168 1.00 0.00 O ATOM 0 H TYR A 54 -3.636 2.544 -8.845 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.111 2.261 -9.504 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.942 4.819 -9.483 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.216 3.781 -8.098 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.901 5.060 -8.918 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.294 5.636 -6.369 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.515 6.380 -7.442 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.847 6.894 -4.781 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.785 8.173 -4.715 1.00 0.00 H new ATOM 836 N TYR A 55 -3.915 4.001 -11.055 1.00 0.00 N ATOM 837 CA TYR A 55 -3.419 4.111 -12.430 1.00 0.00 C ATOM 838 C TYR A 55 -3.219 2.741 -13.098 1.00 0.00 C ATOM 839 O TYR A 55 -3.492 2.652 -14.298 1.00 0.00 O ATOM 840 CB TYR A 55 -2.051 4.798 -12.539 1.00 0.00 C ATOM 841 CG TYR A 55 -1.839 6.256 -12.181 1.00 0.00 C ATOM 842 CD1 TYR A 55 -2.572 6.929 -11.179 1.00 0.00 C ATOM 843 CD2 TYR A 55 -0.702 6.866 -12.742 1.00 0.00 C ATOM 844 CE1 TYR A 55 -2.081 8.138 -10.649 1.00 0.00 C ATOM 845 CE2 TYR A 55 -0.214 8.071 -12.225 1.00 0.00 C ATOM 846 CZ TYR A 55 -0.863 8.671 -11.129 1.00 0.00 C ATOM 847 OH TYR A 55 -0.215 9.652 -10.455 1.00 0.00 O ATOM 0 H TYR A 55 -3.228 4.257 -10.346 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.194 4.700 -12.921 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.363 4.222 -11.920 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.725 4.680 -13.572 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.505 6.519 -10.821 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.202 6.400 -13.578 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.633 8.656 -9.879 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.655 8.538 -12.664 1.00 0.00 H new ATOM 0 HH TYR A 55 0.646 9.313 -10.132 1.00 0.00 H new ATOM 857 N PRO A 56 -2.674 1.701 -12.420 1.00 0.00 N ATOM 858 CA PRO A 56 -2.533 0.384 -13.017 1.00 0.00 C ATOM 859 C PRO A 56 -3.918 -0.159 -13.355 1.00 0.00 C ATOM 860 O PRO A 56 -4.911 0.408 -12.898 1.00 0.00 O ATOM 861 CB PRO A 56 -1.805 -0.484 -11.985 1.00 0.00 C ATOM 862 CG PRO A 56 -2.281 0.152 -10.691 1.00 0.00 C ATOM 863 CD PRO A 56 -2.203 1.611 -11.052 1.00 0.00 C ATOM 0 HA PRO A 56 -1.963 0.401 -13.946 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.086 -1.535 -12.057 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.722 -0.436 -12.095 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.293 -0.155 -10.427 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.640 -0.100 -9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.820 2.213 -10.385 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.182 1.982 -10.964 1.00 0.00 H new ATOM 871 N LYS A 57 -3.954 -1.273 -14.099 1.00 0.00 N ATOM 872 CA LYS A 57 -5.073 -2.173 -14.404 1.00 0.00 C ATOM 873 C LYS A 57 -4.928 -2.799 -15.770 1.00 0.00 C ATOM 874 O LYS A 57 -5.341 -3.925 -16.033 1.00 0.00 O ATOM 875 CB LYS A 57 -6.415 -1.477 -14.256 1.00 0.00 C ATOM 876 CG LYS A 57 -7.565 -2.427 -14.606 1.00 0.00 C ATOM 877 CD LYS A 57 -8.871 -1.749 -14.238 1.00 0.00 C ATOM 878 CE LYS A 57 -9.519 -0.967 -15.402 1.00 0.00 C ATOM 879 NZ LYS A 57 -8.539 -0.263 -16.264 1.00 0.00 N ATOM 0 H LYS A 57 -3.102 -1.602 -14.553 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.042 -2.977 -13.669 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.532 -1.119 -13.233 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.449 -0.603 -14.906 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.548 -2.668 -15.669 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.459 -3.367 -14.064 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.574 -2.503 -13.884 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.693 -1.065 -13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.098 -1.658 -16.015 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.220 -0.239 -14.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.044 0.267 -17.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.979 0.396 -15.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.906 -0.958 -16.709 1.00 0.00 H new ATOM 893 N GLU A 58 -4.261 -2.057 -16.634 1.00 0.00 N ATOM 894 CA GLU A 58 -4.443 -2.262 -18.064 1.00 0.00 C ATOM 895 C GLU A 58 -3.592 -3.194 -18.885 1.00 0.00 C ATOM 896 O GLU A 58 -3.858 -3.614 -20.012 1.00 0.00 O ATOM 897 CB GLU A 58 -4.708 -0.955 -18.702 1.00 0.00 C ATOM 898 CG GLU A 58 -5.858 -1.086 -19.689 1.00 0.00 C ATOM 899 CD GLU A 58 -7.203 -0.864 -18.974 1.00 0.00 C ATOM 900 OE1 GLU A 58 -7.692 -1.804 -18.309 1.00 0.00 O ATOM 901 OE2 GLU A 58 -7.731 0.270 -18.935 1.00 0.00 O ATOM 0 H GLU A 58 -3.601 -1.321 -16.382 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.296 -2.940 -18.073 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.952 -0.212 -17.942 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.814 -0.603 -19.216 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.741 -0.359 -20.493 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.841 -2.074 -20.148 1.00 0.00 H new ATOM 908 N GLY A 59 -2.602 -3.572 -18.171 1.00 0.00 N ATOM 909 CA GLY A 59 -1.772 -4.716 -18.325 1.00 0.00 C ATOM 910 C GLY A 59 -0.993 -4.829 -17.013 1.00 0.00 C ATOM 911 O GLY A 59 0.055 -5.470 -16.970 1.00 0.00 O ATOM 0 H GLY A 59 -2.315 -3.021 -17.362 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.366 -5.611 -18.508 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.098 -4.602 -19.174 1.00 0.00 H new ATOM 915 N ASP A 60 -1.523 -4.189 -15.957 1.00 0.00 N ATOM 916 CA ASP A 60 -0.787 -3.780 -14.786 1.00 0.00 C ATOM 917 C ASP A 60 -1.584 -4.146 -13.560 1.00 0.00 C ATOM 918 O ASP A 60 -2.764 -3.844 -13.450 1.00 0.00 O ATOM 919 CB ASP A 60 -0.540 -2.266 -14.854 1.00 0.00 C ATOM 920 CG ASP A 60 0.377 -1.855 -16.005 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.612 -1.885 -15.812 1.00 0.00 O ATOM 922 OD2 ASP A 60 -0.189 -1.505 -17.068 1.00 0.00 O ATOM 0 H ASP A 60 -2.511 -3.941 -15.910 1.00 0.00 H new ATOM 0 HA ASP A 60 0.178 -4.285 -14.739 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.496 -1.753 -14.959 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.102 -1.934 -13.913 1.00 0.00 H new ATOM 927 N ASP A 61 -0.896 -4.857 -12.691 1.00 0.00 N ATOM 928 CA ASP A 61 -1.371 -5.498 -11.473 1.00 0.00 C ATOM 929 C ASP A 61 -1.921 -4.466 -10.460 1.00 0.00 C ATOM 930 O ASP A 61 -1.154 -3.781 -9.782 1.00 0.00 O ATOM 931 CB ASP A 61 -0.305 -6.445 -10.942 1.00 0.00 C ATOM 932 CG ASP A 61 -0.759 -7.639 -10.088 1.00 0.00 C ATOM 933 OD1 ASP A 61 -1.977 -7.916 -10.011 1.00 0.00 O ATOM 934 OD2 ASP A 61 0.134 -8.314 -9.515 1.00 0.00 O ATOM 0 H ASP A 61 0.102 -5.018 -12.828 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.237 -6.124 -11.689 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.248 -6.837 -11.796 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.397 -5.858 -10.349 1.00 0.00 H new ATOM 939 N ASP A 62 -3.245 -4.287 -10.385 1.00 0.00 N ATOM 940 CA ASP A 62 -3.930 -3.140 -9.754 1.00 0.00 C ATOM 941 C ASP A 62 -5.077 -3.535 -8.826 1.00 0.00 C ATOM 942 O ASP A 62 -5.672 -2.668 -8.184 1.00 0.00 O ATOM 943 CB ASP A 62 -4.757 -2.405 -10.828 1.00 0.00 C ATOM 944 CG ASP A 62 -5.999 -3.216 -11.308 1.00 0.00 C ATOM 945 OD1 ASP A 62 -5.842 -4.431 -11.595 1.00 0.00 O ATOM 946 OD2 ASP A 62 -7.125 -2.670 -11.314 1.00 0.00 O ATOM 0 H ASP A 62 -3.901 -4.963 -10.777 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.129 -2.597 -9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.089 -1.447 -10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.118 -2.190 -11.685 1.00 0.00 H new ATOM 951 N SER A 63 -5.496 -4.804 -8.806 1.00 0.00 N ATOM 952 CA SER A 63 -6.621 -5.147 -7.946 1.00 0.00 C ATOM 953 C SER A 63 -6.184 -4.811 -6.513 1.00 0.00 C ATOM 954 O SER A 63 -4.977 -4.717 -6.299 1.00 0.00 O ATOM 955 CB SER A 63 -6.983 -6.612 -8.141 1.00 0.00 C ATOM 956 OG SER A 63 -7.280 -6.869 -9.503 1.00 0.00 O ATOM 0 H SER A 63 -5.096 -5.571 -9.346 1.00 0.00 H new ATOM 0 HA SER A 63 -7.525 -4.586 -8.183 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.156 -7.244 -7.817 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.842 -6.867 -7.520 1.00 0.00 H new ATOM 0 HG SER A 63 -7.510 -7.815 -9.615 1.00 0.00 H new ATOM 962 N PRO A 64 -7.067 -4.697 -5.503 1.00 0.00 N ATOM 963 CA PRO A 64 -6.728 -4.236 -4.147 1.00 0.00 C ATOM 964 C PRO A 64 -5.594 -4.964 -3.429 1.00 0.00 C ATOM 965 O PRO A 64 -5.164 -4.607 -2.337 1.00 0.00 O ATOM 966 CB PRO A 64 -8.008 -4.446 -3.363 1.00 0.00 C ATOM 967 CG PRO A 64 -9.094 -4.171 -4.400 1.00 0.00 C ATOM 968 CD PRO A 64 -8.496 -4.914 -5.590 1.00 0.00 C ATOM 0 HA PRO A 64 -6.362 -3.212 -4.220 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.076 -5.459 -2.966 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.078 -3.765 -2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.066 -4.566 -4.104 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.228 -3.107 -4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.735 -5.977 -5.549 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.894 -4.534 -6.531 1.00 0.00 H new ATOM 976 N SER A 65 -5.188 -6.037 -4.068 1.00 0.00 N ATOM 977 CA SER A 65 -4.107 -6.941 -3.955 1.00 0.00 C ATOM 978 C SER A 65 -2.980 -6.756 -4.931 1.00 0.00 C ATOM 979 O SER A 65 -1.877 -6.545 -4.464 1.00 0.00 O ATOM 980 CB SER A 65 -4.759 -8.299 -4.062 1.00 0.00 C ATOM 981 OG SER A 65 -5.666 -8.386 -5.159 1.00 0.00 O ATOM 0 H SER A 65 -5.761 -6.341 -4.855 1.00 0.00 H new ATOM 0 HA SER A 65 -3.582 -6.780 -3.013 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.987 -9.061 -4.172 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.292 -8.516 -3.136 1.00 0.00 H new ATOM 0 HG SER A 65 -6.060 -9.283 -5.187 1.00 0.00 H new ATOM 987 N GLY A 66 -3.222 -6.877 -6.220 1.00 0.00 N ATOM 988 CA GLY A 66 -2.356 -6.720 -7.349 1.00 0.00 C ATOM 989 C GLY A 66 -1.544 -5.453 -7.263 1.00 0.00 C ATOM 990 O GLY A 66 -0.347 -5.484 -7.500 1.00 0.00 O ATOM 0 H GLY A 66 -4.162 -7.121 -6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.686 -7.577 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.950 -6.709 -8.263 1.00 0.00 H new ATOM 994 N ILE A 67 -2.129 -4.362 -6.784 1.00 0.00 N ATOM 995 CA ILE A 67 -1.341 -3.178 -6.515 1.00 0.00 C ATOM 996 C ILE A 67 -0.306 -3.367 -5.435 1.00 0.00 C ATOM 997 O ILE A 67 0.866 -3.007 -5.549 1.00 0.00 O ATOM 998 CB ILE A 67 -2.208 -1.978 -6.126 1.00 0.00 C ATOM 999 CG1 ILE A 67 -3.313 -2.288 -5.129 1.00 0.00 C ATOM 1000 CG2 ILE A 67 -2.771 -1.231 -7.302 1.00 0.00 C ATOM 1001 CD1 ILE A 67 -4.563 -1.383 -5.143 1.00 0.00 C ATOM 0 H ILE A 67 -3.125 -4.277 -6.579 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.831 -2.986 -7.459 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.497 -1.326 -5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.639 -3.314 -5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.883 -2.251 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.374 -0.395 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.955 -0.854 -7.918 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.394 -1.901 -7.895 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.265 -1.721 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.270 -0.354 -4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.038 -1.434 -6.123 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.734 -3.987 -4.361 1.00 0.00 N ATOM 1014 CA VAL A 68 0.157 -4.263 -3.245 1.00 0.00 C ATOM 1015 C VAL A 68 1.123 -5.350 -3.657 1.00 0.00 C ATOM 1016 O VAL A 68 2.205 -5.487 -3.093 1.00 0.00 O ATOM 1017 CB VAL A 68 -0.714 -4.704 -2.069 1.00 0.00 C ATOM 1018 CG1 VAL A 68 0.024 -4.452 -0.750 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -2.051 -3.981 -2.040 1.00 0.00 C ATOM 0 H VAL A 68 -1.692 -4.312 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 68 0.738 -3.388 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.911 -5.769 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.603 -4.769 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.955 -5.019 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.245 -3.389 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.634 -4.328 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.882 -2.908 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.597 -4.188 -2.961 1.00 0.00 H new ATOM 1029 N ASN A 69 0.717 -6.089 -4.664 1.00 0.00 N ATOM 1030 CA ASN A 69 1.468 -7.043 -5.429 1.00 0.00 C ATOM 1031 C ASN A 69 2.472 -6.378 -6.315 1.00 0.00 C ATOM 1032 O ASN A 69 3.526 -6.956 -6.513 1.00 0.00 O ATOM 1033 CB ASN A 69 0.586 -7.947 -6.208 1.00 0.00 C ATOM 1034 CG ASN A 69 0.688 -9.423 -5.869 1.00 0.00 C ATOM 1035 OD1 ASN A 69 1.720 -9.946 -5.459 1.00 0.00 O ATOM 1036 ND2 ASN A 69 -0.449 -10.090 -5.904 1.00 0.00 N ATOM 0 H ASN A 69 -0.245 -6.026 -4.996 1.00 0.00 H new ATOM 0 HA ASN A 69 2.015 -7.656 -4.713 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.447 -7.631 -6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.812 -7.820 -7.267 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.482 -11.059 -5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.296 -9.637 -6.248 1.00 0.00 H new ATOM 1043 N THR A 70 2.229 -5.167 -6.793 1.00 0.00 N ATOM 1044 CA THR A 70 3.137 -4.584 -7.743 1.00 0.00 C ATOM 1045 C THR A 70 4.391 -4.220 -6.962 1.00 0.00 C ATOM 1046 O THR A 70 5.532 -4.425 -7.375 1.00 0.00 O ATOM 1047 CB THR A 70 2.520 -3.353 -8.420 1.00 0.00 C ATOM 1048 OG1 THR A 70 1.600 -3.775 -9.395 1.00 0.00 O ATOM 1049 CG2 THR A 70 3.528 -2.485 -9.184 1.00 0.00 C ATOM 0 H THR A 70 1.428 -4.588 -6.541 1.00 0.00 H new ATOM 0 HA THR A 70 3.367 -5.282 -8.548 1.00 0.00 H new ATOM 0 HB THR A 70 2.082 -2.772 -7.608 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.690 -3.568 -9.097 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.011 -1.637 -9.632 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.291 -2.122 -8.496 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.999 -3.079 -9.968 1.00 0.00 H new ATOM 1057 N VAL A 71 4.165 -3.784 -5.727 1.00 0.00 N ATOM 1058 CA VAL A 71 5.183 -3.598 -4.749 1.00 0.00 C ATOM 1059 C VAL A 71 5.785 -4.924 -4.474 1.00 0.00 C ATOM 1060 O VAL A 71 6.994 -4.997 -4.411 1.00 0.00 O ATOM 1061 CB VAL A 71 4.601 -2.984 -3.483 1.00 0.00 C ATOM 1062 CG1 VAL A 71 5.657 -2.793 -2.455 1.00 0.00 C ATOM 1063 CG2 VAL A 71 4.101 -1.645 -3.917 1.00 0.00 C ATOM 0 H VAL A 71 3.232 -3.548 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 71 5.946 -2.911 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 71 3.829 -3.617 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.218 -2.353 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.101 -3.757 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.428 -2.129 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.662 -1.127 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.930 -1.057 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.346 -1.772 -4.693 1.00 0.00 H new ATOM 1073 N LYS A 72 4.997 -5.976 -4.326 1.00 0.00 N ATOM 1074 CA LYS A 72 5.583 -7.293 -4.071 1.00 0.00 C ATOM 1075 C LYS A 72 6.495 -7.866 -5.133 1.00 0.00 C ATOM 1076 O LYS A 72 6.981 -8.974 -4.986 1.00 0.00 O ATOM 1077 CB LYS A 72 4.505 -8.307 -3.738 1.00 0.00 C ATOM 1078 CG LYS A 72 4.722 -8.577 -2.274 1.00 0.00 C ATOM 1079 CD LYS A 72 4.166 -7.377 -1.532 1.00 0.00 C ATOM 1080 CE LYS A 72 2.793 -7.762 -0.962 1.00 0.00 C ATOM 1081 NZ LYS A 72 2.122 -6.638 -0.290 1.00 0.00 N ATOM 0 H LYS A 72 3.978 -5.954 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 72 6.240 -7.102 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.508 -7.911 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.608 -9.214 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.215 -9.492 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.782 -8.712 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.841 -7.079 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.073 -6.524 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.159 -8.128 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.915 -8.582 -0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.092 -6.774 -0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.426 -6.596 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.373 -5.749 -0.767 1.00 0.00 H new ATOM 1095 N GLN A 73 6.695 -7.100 -6.176 1.00 0.00 N ATOM 1096 CA GLN A 73 7.340 -7.365 -7.411 1.00 0.00 C ATOM 1097 C GLN A 73 8.487 -6.388 -7.617 1.00 0.00 C ATOM 1098 O GLN A 73 9.617 -6.816 -7.797 1.00 0.00 O ATOM 1099 CB GLN A 73 6.300 -7.497 -8.534 1.00 0.00 C ATOM 1100 CG GLN A 73 5.431 -8.693 -8.124 1.00 0.00 C ATOM 1101 CD GLN A 73 4.334 -9.085 -9.106 1.00 0.00 C ATOM 1102 OE1 GLN A 73 4.598 -9.680 -10.144 1.00 0.00 O ATOM 1103 NE2 GLN A 73 3.103 -8.768 -8.732 1.00 0.00 N ATOM 0 H GLN A 73 6.353 -6.139 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 73 7.834 -8.337 -7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.704 -6.589 -8.630 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.778 -7.668 -9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.081 -9.555 -7.972 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.969 -8.469 -7.163 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.949 -8.271 -7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.310 -9.021 -9.321 1.00 0.00 H new ATOM 1112 N TRP A 74 8.262 -5.096 -7.399 1.00 0.00 N ATOM 1113 CA TRP A 74 9.284 -4.085 -7.228 1.00 0.00 C ATOM 1114 C TRP A 74 10.112 -4.426 -6.003 1.00 0.00 C ATOM 1115 O TRP A 74 11.261 -4.803 -6.125 1.00 0.00 O ATOM 1116 CB TRP A 74 8.757 -2.680 -7.164 1.00 0.00 C ATOM 1117 CG TRP A 74 9.888 -1.720 -7.391 1.00 0.00 C ATOM 1118 CD1 TRP A 74 10.359 -1.369 -8.602 1.00 0.00 C ATOM 1119 CD2 TRP A 74 10.713 -0.979 -6.452 1.00 0.00 C ATOM 1120 NE1 TRP A 74 11.529 -0.658 -8.482 1.00 0.00 N ATOM 1121 CE2 TRP A 74 11.733 -0.290 -7.178 1.00 0.00 C ATOM 1122 CE3 TRP A 74 10.627 -0.716 -5.076 1.00 0.00 C ATOM 1123 CZ2 TRP A 74 12.615 0.618 -6.582 1.00 0.00 C ATOM 1124 CZ3 TRP A 74 11.486 0.217 -4.486 1.00 0.00 C ATOM 1125 CH2 TRP A 74 12.482 0.883 -5.215 1.00 0.00 C ATOM 0 H TRP A 74 7.318 -4.715 -7.335 1.00 0.00 H new ATOM 0 HA TRP A 74 9.908 -4.100 -8.122 1.00 0.00 H new ATOM 0 HB2 TRP A 74 7.983 -2.534 -7.918 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.296 -2.495 -6.194 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.883 -1.613 -9.540 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.157 -0.436 -9.255 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.897 -1.234 -4.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.383 1.104 -7.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.379 0.432 -3.433 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.137 1.590 -4.728 1.00 0.00 H new ATOM 1136 N ARG A 75 9.536 -4.427 -4.802 1.00 0.00 N ATOM 1137 CA ARG A 75 10.187 -4.883 -3.579 1.00 0.00 C ATOM 1138 C ARG A 75 10.707 -6.300 -3.640 1.00 0.00 C ATOM 1139 O ARG A 75 11.439 -6.692 -2.744 1.00 0.00 O ATOM 1140 CB ARG A 75 9.217 -4.920 -2.379 1.00 0.00 C ATOM 1141 CG ARG A 75 8.835 -3.627 -1.651 1.00 0.00 C ATOM 1142 CD ARG A 75 8.145 -3.857 -0.301 1.00 0.00 C ATOM 1143 NE ARG A 75 8.628 -5.021 0.466 1.00 0.00 N ATOM 1144 CZ ARG A 75 8.229 -6.301 0.388 1.00 0.00 C ATOM 1145 NH1 ARG A 75 7.437 -6.737 -0.580 1.00 0.00 N ATOM 1146 NH2 ARG A 75 8.594 -7.175 1.309 1.00 0.00 N ATOM 0 H ARG A 75 8.581 -4.103 -4.651 1.00 0.00 H new ATOM 0 HA ARG A 75 10.997 -4.163 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.292 -5.380 -2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.648 -5.592 -1.637 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.734 -3.031 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.174 -3.042 -2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.272 -2.963 0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.075 -3.976 -0.474 1.00 0.00 H new ATOM 0 HE ARG A 75 9.363 -4.828 1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.109 -6.093 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.155 -7.717 -0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.183 -6.880 2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.286 -8.145 1.242 1.00 0.00 H new ATOM 1160 N ALA A 76 10.322 -7.076 -4.623 1.00 0.00 N ATOM 1161 CA ALA A 76 10.888 -8.402 -4.784 1.00 0.00 C ATOM 1162 C ALA A 76 12.049 -8.459 -5.739 1.00 0.00 C ATOM 1163 O ALA A 76 12.951 -9.275 -5.572 1.00 0.00 O ATOM 1164 CB ALA A 76 9.818 -9.420 -5.135 1.00 0.00 C ATOM 0 H ALA A 76 9.624 -6.819 -5.322 1.00 0.00 H new ATOM 0 HA ALA A 76 11.304 -8.667 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.275 -10.403 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.074 -9.455 -4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.336 -9.134 -6.070 1.00 0.00 H new ATOM 1170 N ALA A 77 12.059 -7.534 -6.677 1.00 0.00 N ATOM 1171 CA ALA A 77 13.062 -7.482 -7.727 1.00 0.00 C ATOM 1172 C ALA A 77 14.199 -6.571 -7.344 1.00 0.00 C ATOM 1173 O ALA A 77 15.373 -6.833 -7.584 1.00 0.00 O ATOM 1174 CB ALA A 77 12.409 -7.012 -9.033 1.00 0.00 C ATOM 0 H ALA A 77 11.365 -6.789 -6.734 1.00 0.00 H new ATOM 0 HA ALA A 77 13.474 -8.481 -7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.160 -6.972 -9.822 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.621 -7.709 -9.317 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.981 -6.020 -8.889 1.00 0.00 H new ATOM 1180 N ASN A 78 13.805 -5.522 -6.654 1.00 0.00 N ATOM 1181 CA ASN A 78 14.621 -4.676 -5.850 1.00 0.00 C ATOM 1182 C ASN A 78 14.983 -5.339 -4.536 1.00 0.00 C ATOM 1183 O ASN A 78 15.849 -4.876 -3.800 1.00 0.00 O ATOM 1184 CB ASN A 78 13.807 -3.407 -5.640 1.00 0.00 C ATOM 1185 CG ASN A 78 14.742 -2.216 -5.423 1.00 0.00 C ATOM 1186 OD1 ASN A 78 14.818 -1.321 -6.245 1.00 0.00 O ATOM 1187 ND2 ASN A 78 15.538 -2.188 -4.366 1.00 0.00 N ATOM 0 H ASN A 78 12.829 -5.227 -6.649 1.00 0.00 H new ATOM 0 HA ASN A 78 15.574 -4.459 -6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.170 -3.227 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.149 -3.525 -4.779 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.203 -1.424 -4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 78 15.486 -2.931 -3.669 1.00 0.00 H new ATOM 1194 N GLY A 79 14.263 -6.412 -4.243 1.00 0.00 N ATOM 1195 CA GLY A 79 14.510 -7.292 -3.110 1.00 0.00 C ATOM 1196 C GLY A 79 14.385 -6.525 -1.798 1.00 0.00 C ATOM 1197 O GLY A 79 15.044 -6.876 -0.824 1.00 0.00 O ATOM 0 H GLY A 79 13.464 -6.704 -4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.800 -8.119 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.507 -7.726 -3.190 1.00 0.00 H new ATOM 1201 N LYS A 80 13.555 -5.469 -1.804 1.00 0.00 N ATOM 1202 CA LYS A 80 13.395 -4.503 -0.679 1.00 0.00 C ATOM 1203 C LYS A 80 13.424 -5.186 0.689 1.00 0.00 C ATOM 1204 O LYS A 80 14.172 -4.833 1.593 1.00 0.00 O ATOM 1205 CB LYS A 80 12.194 -3.588 -0.772 1.00 0.00 C ATOM 1206 CG LYS A 80 12.243 -2.905 -2.124 1.00 0.00 C ATOM 1207 CD LYS A 80 12.960 -1.694 -2.382 1.00 0.00 C ATOM 1208 CE LYS A 80 12.431 -0.521 -1.635 1.00 0.00 C ATOM 1209 NZ LYS A 80 13.332 0.647 -1.695 1.00 0.00 N ATOM 0 H LYS A 80 12.960 -5.249 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 80 14.270 -3.861 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.270 -4.156 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.211 -2.851 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.631 -3.644 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.208 -2.712 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.008 -1.839 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.925 -1.481 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.458 -0.245 -2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.274 -0.800 -0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.625 0.909 -0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.172 0.409 -2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.834 1.447 -2.136 1.00 0.00 H new ATOM 1223 N SER A 81 12.564 -6.192 0.779 1.00 0.00 N ATOM 1224 CA SER A 81 12.131 -6.981 1.905 1.00 0.00 C ATOM 1225 C SER A 81 11.362 -6.063 2.828 1.00 0.00 C ATOM 1226 O SER A 81 10.474 -5.327 2.415 1.00 0.00 O ATOM 1227 CB SER A 81 13.308 -7.780 2.507 1.00 0.00 C ATOM 1228 OG SER A 81 14.260 -6.984 3.184 1.00 0.00 O ATOM 0 H SER A 81 12.091 -6.511 -0.066 1.00 0.00 H new ATOM 0 HA SER A 81 11.439 -7.777 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.912 -8.522 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.809 -8.326 1.708 1.00 0.00 H new ATOM 0 HG SER A 81 14.157 -6.048 2.911 1.00 0.00 H new ATOM 1234 N GLY A 82 11.671 -6.191 4.086 1.00 0.00 N ATOM 1235 CA GLY A 82 11.416 -5.153 5.055 1.00 0.00 C ATOM 1236 C GLY A 82 10.020 -4.886 5.540 1.00 0.00 C ATOM 1237 O GLY A 82 9.794 -3.821 6.089 1.00 0.00 O ATOM 0 H GLY A 82 12.111 -7.024 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.024 -5.376 5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.794 -4.221 4.634 1.00 0.00 H new ATOM 1241 N PHE A 83 9.092 -5.791 5.302 1.00 0.00 N ATOM 1242 CA PHE A 83 7.914 -5.847 6.101 1.00 0.00 C ATOM 1243 C PHE A 83 8.256 -6.779 7.275 1.00 0.00 C ATOM 1244 O PHE A 83 9.396 -6.937 7.713 1.00 0.00 O ATOM 1245 CB PHE A 83 6.683 -6.350 5.361 1.00 0.00 C ATOM 1246 CG PHE A 83 6.026 -5.517 4.322 1.00 0.00 C ATOM 1247 CD1 PHE A 83 4.996 -4.605 4.608 1.00 0.00 C ATOM 1248 CD2 PHE A 83 6.263 -5.874 3.014 1.00 0.00 C ATOM 1249 CE1 PHE A 83 4.378 -3.949 3.538 1.00 0.00 C ATOM 1250 CE2 PHE A 83 5.697 -5.168 1.959 1.00 0.00 C ATOM 1251 CZ PHE A 83 4.751 -4.172 2.198 1.00 0.00 C ATOM 0 H PHE A 83 9.143 -6.490 4.561 1.00 0.00 H new ATOM 0 HA PHE A 83 7.644 -4.840 6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.957 -7.293 4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.928 -6.577 6.114 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.690 -4.416 5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.901 -6.719 2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.586 -3.246 3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.993 -5.393 0.945 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.323 -3.596 1.391 1.00 0.00 H new ATOM 1261 N LYS A 84 7.204 -7.426 7.737 1.00 0.00 N ATOM 1262 CA LYS A 84 6.938 -8.037 8.969 1.00 0.00 C ATOM 1263 C LYS A 84 6.140 -9.307 8.800 1.00 0.00 C ATOM 1264 O LYS A 84 5.888 -9.787 7.696 1.00 0.00 O ATOM 1265 CB LYS A 84 6.344 -6.930 9.772 1.00 0.00 C ATOM 1266 CG LYS A 84 6.888 -6.981 11.204 1.00 0.00 C ATOM 1267 CD LYS A 84 6.027 -6.024 11.966 1.00 0.00 C ATOM 1268 CE LYS A 84 6.603 -5.702 13.340 1.00 0.00 C ATOM 1269 NZ LYS A 84 5.609 -5.020 14.188 1.00 0.00 N ATOM 0 H LYS A 84 6.395 -7.536 7.125 1.00 0.00 H new ATOM 0 HA LYS A 84 7.803 -8.433 9.501 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.582 -5.969 9.316 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.258 -7.018 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.824 -7.988 11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.937 -6.687 11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.917 -5.102 11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.030 -6.448 12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.929 -6.622 13.825 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.485 -5.071 13.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.098 -4.478 14.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.040 -4.374 13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.987 -5.726 14.630 1.00 0.00 H new ATOM 1283 N GLN A 85 5.754 -9.817 9.946 1.00 0.00 N ATOM 1284 CA GLN A 85 4.997 -11.039 10.180 1.00 0.00 C ATOM 1285 C GLN A 85 3.941 -10.829 11.252 1.00 0.00 C ATOM 1286 O GLN A 85 2.800 -11.258 11.111 1.00 0.00 O ATOM 1287 CB GLN A 85 5.868 -12.219 10.399 1.00 0.00 C ATOM 1288 CG GLN A 85 5.805 -13.302 9.318 1.00 0.00 C ATOM 1289 CD GLN A 85 6.877 -14.371 9.516 1.00 0.00 C ATOM 1290 OE1 GLN A 85 6.819 -15.178 10.432 1.00 0.00 O ATOM 1291 NE2 GLN A 85 7.886 -14.409 8.659 1.00 0.00 N ATOM 0 H GLN A 85 5.980 -9.348 10.823 1.00 0.00 H new ATOM 0 HA GLN A 85 4.453 -11.279 9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.899 -11.876 10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.603 -12.670 11.355 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.820 -13.769 9.330 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.928 -12.843 8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.932 -13.734 7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.617 -15.113 8.763 1.00 0.00 H new ATOM 1300 N GLY A 86 4.361 -10.093 12.268 1.00 0.00 N ATOM 1301 CA GLY A 86 3.596 -9.345 13.242 1.00 0.00 C ATOM 1302 C GLY A 86 4.578 -8.404 13.931 1.00 0.00 C ATOM 1303 O GLY A 86 4.147 -7.354 14.451 1.00 0.00 O ATOM 1304 OXT GLY A 86 5.795 -8.684 13.831 1.00 0.00 O ATOM 0 H GLY A 86 5.361 -9.997 12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.795 -8.785 12.759 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.127 -10.014 13.964 1.00 0.00 H new