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 69 ASN : amide:sc= 0 X(o=0.21,f=0.16) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Set 2.1: A 39 HIS : no HE2:sc= -2.97 K(o=-5.5,f=-7.8!) USER MOD Set 2.2: A 43 MET CE :methyl 139:sc= -2.48 (180deg=-6.79!) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.24) USER MOD Single : A 5 HIS : no HD1:sc= -0.671 X(o=-0.67,f=-0.2) USER MOD Single : A 6 SER OG : rot 46:sc= 0.846 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 107:sc= 3.07 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 98:sc= 0.267 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 70:sc= 0.402 USER MOD Single : A 24 ASN : amide:sc= -0.0717 X(o=-0.072,f=-0.26) USER MOD Single : A 27 THR OG1 : rot -40:sc= 0.433 USER MOD Single : A 28 SER OG : rot -158:sc= 0.254 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= 2.41 (180deg=0.463) USER MOD Single : A 38 THR OG1 : rot -49:sc= 1.32 USER MOD Single : A 44 THR OG1 : rot -36:sc= 0.891 USER MOD Single : A 46 HIS : no HE2:sc= -5.44! C(o=-5.4!,f=-9.5!) USER MOD Single : A 48 SER OG : rot -68:sc= 1.19 USER MOD Single : A 50 SER OG : rot 46:sc= 1.23 USER MOD Single : A 54 TYR OH : rot -140:sc= -0.226 USER MOD Single : A 55 TYR OH : rot 113:sc= 0.915 USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.404 (180deg=-1.77!) USER MOD Single : A 63 SER OG : rot 89:sc= 1.29 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0539 USER MOD Single : A 70 THR OG1 : rot 60:sc= 0.494 USER MOD Single : A 72 LYS NZ :NH3+ -127:sc= -2.31 (180deg=-7.33!) USER MOD Single : A 78 ASN : amide:sc= -0.0503 K(o=-0.05,f=-0.58) USER MOD Single : A 80 LYS NZ :NH3+ -120:sc= -0.401 (180deg=-4!) USER MOD Single : A 81 SER OG : rot 60:sc= 0.534 USER MOD Single : A 84 LYS NZ :NH3+ 159:sc= 2.62 (180deg=1.45) USER MOD Single : A 85 GLN : amide:sc= 0.0168 X(o=0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -2.049 2.228 9.951 1.00 0.00 N ATOM 36 CA LEU A 3 -0.935 3.036 9.558 1.00 0.00 C ATOM 37 C LEU A 3 0.144 2.542 10.468 1.00 0.00 C ATOM 38 O LEU A 3 -0.115 2.079 11.585 1.00 0.00 O ATOM 39 CB LEU A 3 -1.094 4.530 9.849 1.00 0.00 C ATOM 40 CG LEU A 3 -1.969 5.286 8.857 1.00 0.00 C ATOM 41 CD1 LEU A 3 -1.781 6.774 9.134 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.543 5.127 7.404 1.00 0.00 C ATOM 0 HA LEU A 3 -0.774 2.955 8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.516 4.648 10.847 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.106 4.990 9.864 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.980 4.898 8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.393 7.353 8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.083 6.995 10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.732 7.039 9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.217 5.696 6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.525 5.498 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.582 4.074 7.127 1.00 0.00 H new ATOM 54 N LYS A 4 1.362 2.708 10.015 1.00 0.00 N ATOM 55 CA LYS A 4 2.499 2.389 10.830 1.00 0.00 C ATOM 56 C LYS A 4 3.545 3.463 10.644 1.00 0.00 C ATOM 57 O LYS A 4 3.295 4.438 9.937 1.00 0.00 O ATOM 58 CB LYS A 4 2.831 0.905 10.740 1.00 0.00 C ATOM 59 CG LYS A 4 2.276 0.184 12.023 1.00 0.00 C ATOM 60 CD LYS A 4 1.402 -1.048 11.793 1.00 0.00 C ATOM 61 CE LYS A 4 0.602 -1.357 13.062 1.00 0.00 C ATOM 62 NZ LYS A 4 -0.571 -2.184 12.753 1.00 0.00 N ATOM 0 H LYS A 4 1.588 3.062 9.086 1.00 0.00 H new ATOM 0 HA LYS A 4 2.330 2.448 11.905 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.388 0.473 9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.909 0.763 10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.124 -0.111 12.641 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.699 0.908 12.598 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.724 -0.874 10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.024 -1.903 11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.238 -1.874 13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.283 -0.426 13.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.001 -2.521 13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.265 -1.618 12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.279 -2.999 12.177 1.00 0.00 H new ATOM 76 N HIS A 5 4.645 3.385 11.380 1.00 0.00 N ATOM 77 CA HIS A 5 5.751 4.290 11.096 1.00 0.00 C ATOM 78 C HIS A 5 6.498 3.834 9.873 1.00 0.00 C ATOM 79 O HIS A 5 7.212 4.594 9.226 1.00 0.00 O ATOM 80 CB HIS A 5 6.742 4.430 12.243 1.00 0.00 C ATOM 81 CG HIS A 5 6.296 3.978 13.597 1.00 0.00 C ATOM 82 ND1 HIS A 5 5.389 4.579 14.438 1.00 0.00 N ATOM 83 CD2 HIS A 5 6.770 2.855 14.197 1.00 0.00 C ATOM 84 CE1 HIS A 5 5.325 3.818 15.545 1.00 0.00 C ATOM 85 NE2 HIS A 5 6.154 2.765 15.454 1.00 0.00 N ATOM 0 H HIS A 5 4.795 2.732 12.149 1.00 0.00 H new ATOM 0 HA HIS A 5 5.295 5.267 10.937 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.641 3.872 11.981 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.027 5.479 12.315 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.487 2.161 13.783 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.691 4.026 16.394 1.00 0.00 H new ATOM 0 HE2 HIS A 5 6.305 2.043 16.159 1.00 0.00 H new ATOM 93 N SER A 6 6.332 2.552 9.626 1.00 0.00 N ATOM 94 CA SER A 6 7.103 1.795 8.741 1.00 0.00 C ATOM 95 C SER A 6 6.339 0.738 7.989 1.00 0.00 C ATOM 96 O SER A 6 5.493 0.042 8.553 1.00 0.00 O ATOM 97 CB SER A 6 8.196 1.104 9.497 1.00 0.00 C ATOM 98 OG SER A 6 8.503 1.504 10.818 1.00 0.00 O ATOM 0 H SER A 6 5.602 2.003 10.080 1.00 0.00 H new ATOM 0 HA SER A 6 7.481 2.508 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.948 0.043 9.529 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.108 1.200 8.909 1.00 0.00 H new ATOM 0 HG SER A 6 7.674 1.603 11.331 1.00 0.00 H new ATOM 104 N ILE A 7 6.898 0.432 6.821 1.00 0.00 N ATOM 105 CA ILE A 7 6.708 -0.762 6.014 1.00 0.00 C ATOM 106 C ILE A 7 7.152 -2.073 6.694 1.00 0.00 C ATOM 107 O ILE A 7 7.511 -3.089 6.097 1.00 0.00 O ATOM 108 CB ILE A 7 7.379 -0.495 4.661 1.00 0.00 C ATOM 109 CG1 ILE A 7 7.267 -1.722 3.745 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.848 -0.039 4.734 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.697 -1.321 2.436 1.00 0.00 C ATOM 0 H ILE A 7 7.555 1.075 6.378 1.00 0.00 H new ATOM 0 HA ILE A 7 5.643 -0.943 5.872 1.00 0.00 H new ATOM 0 HB ILE A 7 6.827 0.348 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.250 -2.171 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.635 -2.479 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.229 0.123 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.913 0.890 5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.443 -0.807 5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.620 -2.195 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.706 -0.892 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.346 -0.580 1.968 1.00 0.00 H new ATOM 123 N SER A 8 7.223 -2.033 8.000 1.00 0.00 N ATOM 124 CA SER A 8 8.011 -2.937 8.763 1.00 0.00 C ATOM 125 C SER A 8 7.455 -3.128 10.130 1.00 0.00 C ATOM 126 O SER A 8 7.595 -4.213 10.694 1.00 0.00 O ATOM 127 CB SER A 8 9.391 -2.438 8.629 1.00 0.00 C ATOM 128 OG SER A 8 10.304 -2.470 9.709 1.00 0.00 O ATOM 0 H SER A 8 6.718 -1.351 8.566 1.00 0.00 H new ATOM 0 HA SER A 8 8.001 -3.968 8.409 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.850 -2.995 7.812 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.321 -1.399 8.306 1.00 0.00 H new ATOM 0 HG SER A 8 11.164 -2.098 9.422 1.00 0.00 H new ATOM 134 N ASP A 9 6.711 -2.123 10.604 1.00 0.00 N ATOM 135 CA ASP A 9 5.905 -2.392 11.759 1.00 0.00 C ATOM 136 C ASP A 9 4.675 -3.194 11.376 1.00 0.00 C ATOM 137 O ASP A 9 3.940 -3.629 12.266 1.00 0.00 O ATOM 138 CB ASP A 9 5.401 -1.076 12.352 1.00 0.00 C ATOM 139 CG ASP A 9 6.455 -0.024 12.566 1.00 0.00 C ATOM 140 OD1 ASP A 9 7.498 -0.305 13.183 1.00 0.00 O ATOM 141 OD2 ASP A 9 6.244 1.062 11.979 1.00 0.00 O ATOM 0 H ASP A 9 6.660 -1.178 10.223 1.00 0.00 H new ATOM 0 HA ASP A 9 6.519 -2.944 12.471 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.633 -0.670 11.693 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.922 -1.287 13.308 1.00 0.00 H new ATOM 146 N TYR A 10 4.436 -3.376 10.072 1.00 0.00 N ATOM 147 CA TYR A 10 3.247 -3.995 9.545 1.00 0.00 C ATOM 148 C TYR A 10 3.682 -5.221 8.728 1.00 0.00 C ATOM 149 O TYR A 10 4.796 -5.280 8.197 1.00 0.00 O ATOM 150 CB TYR A 10 2.355 -2.908 8.892 1.00 0.00 C ATOM 151 CG TYR A 10 2.618 -2.315 7.524 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.652 -2.762 6.694 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.837 -1.218 7.104 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.880 -2.175 5.458 1.00 0.00 C ATOM 155 CE2 TYR A 10 2.143 -0.547 5.907 1.00 0.00 C ATOM 156 CZ TYR A 10 3.198 -1.010 5.100 1.00 0.00 C ATOM 157 OH TYR A 10 3.630 -0.340 4.008 1.00 0.00 O ATOM 0 H TYR A 10 5.091 -3.084 9.347 1.00 0.00 H new ATOM 0 HA TYR A 10 2.571 -4.417 10.289 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.346 -3.320 8.858 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.334 -2.071 9.589 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.282 -3.576 7.021 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.001 -0.892 7.704 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.586 -2.619 4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.571 0.319 5.609 1.00 0.00 H new ATOM 0 HH TYR A 10 2.999 -0.476 3.270 1.00 0.00 H new ATOM 167 N THR A 11 2.895 -6.289 8.714 1.00 0.00 N ATOM 168 CA THR A 11 3.162 -7.428 7.841 1.00 0.00 C ATOM 169 C THR A 11 2.783 -7.056 6.412 1.00 0.00 C ATOM 170 O THR A 11 2.178 -6.023 6.121 1.00 0.00 O ATOM 171 CB THR A 11 2.565 -8.759 8.352 1.00 0.00 C ATOM 172 OG1 THR A 11 1.643 -9.387 7.480 1.00 0.00 O ATOM 173 CG2 THR A 11 1.854 -8.697 9.693 1.00 0.00 C ATOM 0 H THR A 11 2.065 -6.392 9.298 1.00 0.00 H new ATOM 0 HA THR A 11 4.231 -7.641 7.852 1.00 0.00 H new ATOM 0 HB THR A 11 3.487 -9.335 8.432 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.322 -10.219 7.887 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.476 -9.686 9.951 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.553 -8.364 10.460 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.022 -7.996 9.632 1.00 0.00 H new ATOM 181 N GLU A 12 3.130 -7.936 5.494 1.00 0.00 N ATOM 182 CA GLU A 12 2.779 -7.773 4.112 1.00 0.00 C ATOM 183 C GLU A 12 1.268 -7.873 3.886 1.00 0.00 C ATOM 184 O GLU A 12 0.719 -7.205 3.011 1.00 0.00 O ATOM 185 CB GLU A 12 3.532 -8.867 3.373 1.00 0.00 C ATOM 186 CG GLU A 12 3.535 -8.505 1.908 1.00 0.00 C ATOM 187 CD GLU A 12 3.543 -9.752 1.048 1.00 0.00 C ATOM 188 OE1 GLU A 12 2.417 -10.170 0.695 1.00 0.00 O ATOM 189 OE2 GLU A 12 4.640 -10.133 0.597 1.00 0.00 O ATOM 0 H GLU A 12 3.664 -8.782 5.693 1.00 0.00 H new ATOM 0 HA GLU A 12 3.051 -6.782 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.552 -8.952 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.053 -9.834 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.657 -7.903 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.409 -7.895 1.681 1.00 0.00 H new ATOM 196 N ALA A 13 0.596 -8.674 4.706 1.00 0.00 N ATOM 197 CA ALA A 13 -0.847 -8.864 4.643 1.00 0.00 C ATOM 198 C ALA A 13 -1.526 -7.670 5.292 1.00 0.00 C ATOM 199 O ALA A 13 -2.590 -7.249 4.864 1.00 0.00 O ATOM 200 CB ALA A 13 -1.238 -10.165 5.350 1.00 0.00 C ATOM 0 H ALA A 13 1.046 -9.217 5.443 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.168 -8.939 3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.319 -10.297 5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.745 -11.006 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.929 -10.119 6.394 1.00 0.00 H new ATOM 206 N GLU A 14 -0.861 -7.096 6.284 1.00 0.00 N ATOM 207 CA GLU A 14 -1.202 -5.864 6.958 1.00 0.00 C ATOM 208 C GLU A 14 -1.266 -4.700 5.979 1.00 0.00 C ATOM 209 O GLU A 14 -2.226 -3.937 5.979 1.00 0.00 O ATOM 210 CB GLU A 14 -0.111 -5.628 8.009 1.00 0.00 C ATOM 211 CG GLU A 14 -0.679 -5.713 9.402 1.00 0.00 C ATOM 212 CD GLU A 14 0.249 -5.281 10.541 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.143 -6.064 10.928 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.108 -4.154 11.049 1.00 0.00 O ATOM 0 H GLU A 14 -0.010 -7.513 6.661 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.187 -5.936 7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.681 -6.367 7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.342 -4.648 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.579 -5.099 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.987 -6.743 9.584 1.00 0.00 H new ATOM 221 N PHE A 15 -0.262 -4.575 5.115 1.00 0.00 N ATOM 222 CA PHE A 15 -0.264 -3.533 4.101 1.00 0.00 C ATOM 223 C PHE A 15 -1.192 -3.911 2.969 1.00 0.00 C ATOM 224 O PHE A 15 -1.772 -3.033 2.340 1.00 0.00 O ATOM 225 CB PHE A 15 1.137 -3.367 3.534 1.00 0.00 C ATOM 226 CG PHE A 15 1.410 -2.132 2.679 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.814 -0.883 2.961 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.384 -2.204 1.666 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.239 0.281 2.296 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.826 -1.042 1.010 1.00 0.00 C ATOM 231 CZ PHE A 15 2.275 0.204 1.349 1.00 0.00 C ATOM 0 H PHE A 15 0.558 -5.181 5.099 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.599 -2.603 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.839 -3.360 4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.364 -4.248 2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.024 -0.821 3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.797 -3.163 1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.771 1.230 2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.588 -1.108 0.247 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.647 1.104 0.882 1.00 0.00 H new ATOM 241 N LEU A 16 -1.368 -5.209 2.704 1.00 0.00 N ATOM 242 CA LEU A 16 -2.299 -5.595 1.657 1.00 0.00 C ATOM 243 C LEU A 16 -3.709 -5.184 2.040 1.00 0.00 C ATOM 244 O LEU A 16 -4.458 -4.654 1.233 1.00 0.00 O ATOM 245 CB LEU A 16 -2.167 -7.092 1.414 1.00 0.00 C ATOM 246 CG LEU A 16 -3.062 -7.671 0.310 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.236 -6.817 -0.935 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.423 -8.964 -0.241 1.00 0.00 C ATOM 0 H LEU A 16 -0.897 -5.977 3.181 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.068 -5.082 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.128 -7.310 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.388 -7.613 2.345 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.025 -7.782 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.888 -7.331 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.681 -5.860 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.264 -6.646 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.057 -9.377 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.439 -8.737 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.321 -9.691 0.564 1.00 0.00 H new ATOM 260 N GLN A 17 -4.021 -5.348 3.311 1.00 0.00 N ATOM 261 CA GLN A 17 -5.192 -4.984 4.015 1.00 0.00 C ATOM 262 C GLN A 17 -5.330 -3.475 4.035 1.00 0.00 C ATOM 263 O GLN A 17 -6.436 -2.954 4.041 1.00 0.00 O ATOM 264 CB GLN A 17 -5.087 -5.553 5.436 1.00 0.00 C ATOM 265 CG GLN A 17 -5.991 -4.893 6.465 1.00 0.00 C ATOM 266 CD GLN A 17 -5.826 -5.535 7.841 1.00 0.00 C ATOM 267 OE1 GLN A 17 -6.364 -6.600 8.118 1.00 0.00 O ATOM 268 NE2 GLN A 17 -5.063 -4.914 8.729 1.00 0.00 N ATOM 0 H GLN A 17 -3.357 -5.802 3.938 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.079 -5.389 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.318 -6.618 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.054 -5.462 5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.759 -3.830 6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.030 -4.975 6.145 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.619 -4.028 8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.919 -5.323 9.653 1.00 0.00 H new ATOM 277 N LEU A 18 -4.209 -2.771 4.079 1.00 0.00 N ATOM 278 CA LEU A 18 -4.197 -1.332 4.172 1.00 0.00 C ATOM 279 C LEU A 18 -4.596 -0.753 2.810 1.00 0.00 C ATOM 280 O LEU A 18 -5.508 0.066 2.706 1.00 0.00 O ATOM 281 CB LEU A 18 -2.806 -0.879 4.625 1.00 0.00 C ATOM 282 CG LEU A 18 -2.720 0.594 5.036 1.00 0.00 C ATOM 283 CD1 LEU A 18 -1.506 0.782 5.949 1.00 0.00 C ATOM 284 CD2 LEU A 18 -2.599 1.542 3.833 1.00 0.00 C ATOM 0 H LEU A 18 -3.280 -3.191 4.051 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.914 -0.969 4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.493 -1.497 5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.098 -1.059 3.816 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.646 0.846 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.434 1.828 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.617 0.158 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.601 0.495 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.542 2.572 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.698 1.301 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.471 1.427 3.190 1.00 0.00 H new ATOM 296 N VAL A 19 -4.001 -1.287 1.743 1.00 0.00 N ATOM 297 CA VAL A 19 -4.348 -0.927 0.349 1.00 0.00 C ATOM 298 C VAL A 19 -5.855 -1.208 0.202 1.00 0.00 C ATOM 299 O VAL A 19 -6.612 -0.434 -0.370 1.00 0.00 O ATOM 300 CB VAL A 19 -3.550 -1.850 -0.541 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.103 -1.783 -1.952 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.088 -1.400 -0.480 1.00 0.00 C ATOM 0 H VAL A 19 -3.261 -1.985 1.811 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.132 0.110 0.092 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.618 -2.887 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.531 -2.448 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.148 -2.092 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.028 -0.761 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.481 -2.047 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.009 -0.371 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.731 -1.461 0.548 1.00 0.00 H new ATOM 312 N THR A 20 -6.292 -2.328 0.770 1.00 0.00 N ATOM 313 CA THR A 20 -7.642 -2.845 0.834 1.00 0.00 C ATOM 314 C THR A 20 -8.538 -1.946 1.701 1.00 0.00 C ATOM 315 O THR A 20 -9.722 -1.867 1.426 1.00 0.00 O ATOM 316 CB THR A 20 -7.445 -4.285 1.338 1.00 0.00 C ATOM 317 OG1 THR A 20 -7.160 -5.154 0.262 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.409 -4.929 2.310 1.00 0.00 C ATOM 0 H THR A 20 -5.639 -2.953 1.242 1.00 0.00 H new ATOM 0 HA THR A 20 -8.178 -2.852 -0.115 1.00 0.00 H new ATOM 0 HB THR A 20 -6.600 -4.128 2.008 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.192 -5.293 0.201 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.080 -5.944 2.530 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.438 -4.349 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.405 -4.958 1.869 1.00 0.00 H new ATOM 326 N THR A 21 -8.010 -1.198 2.670 1.00 0.00 N ATOM 327 CA THR A 21 -8.673 -0.145 3.432 1.00 0.00 C ATOM 328 C THR A 21 -8.956 1.055 2.520 1.00 0.00 C ATOM 329 O THR A 21 -9.906 1.788 2.769 1.00 0.00 O ATOM 330 CB THR A 21 -7.759 0.234 4.632 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.321 -0.068 5.892 1.00 0.00 O ATOM 332 CG2 THR A 21 -7.337 1.714 4.684 1.00 0.00 C ATOM 0 H THR A 21 -7.041 -1.322 2.962 1.00 0.00 H new ATOM 0 HA THR A 21 -9.633 -0.486 3.819 1.00 0.00 H new ATOM 0 HB THR A 21 -6.883 -0.386 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.696 0.193 6.600 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.702 1.881 5.554 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.785 1.967 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.224 2.343 4.756 1.00 0.00 H new ATOM 340 N ILE A 22 -8.140 1.279 1.488 1.00 0.00 N ATOM 341 CA ILE A 22 -8.216 2.410 0.565 1.00 0.00 C ATOM 342 C ILE A 22 -9.188 2.031 -0.535 1.00 0.00 C ATOM 343 O ILE A 22 -10.154 2.744 -0.781 1.00 0.00 O ATOM 344 CB ILE A 22 -6.845 2.752 -0.060 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.699 2.580 0.939 1.00 0.00 C ATOM 346 CG2 ILE A 22 -6.884 4.174 -0.605 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.443 3.368 0.642 1.00 0.00 C ATOM 0 H ILE A 22 -7.372 0.646 1.264 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.544 3.293 1.114 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.654 2.054 -0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.058 2.865 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.439 1.523 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.919 4.421 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.662 4.251 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.099 4.869 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.699 3.170 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.047 3.070 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.676 4.433 0.627 1.00 0.00 H new ATOM 359 N CYS A 23 -8.993 0.835 -1.096 1.00 0.00 N ATOM 360 CA CYS A 23 -9.984 0.183 -1.918 1.00 0.00 C ATOM 361 C CYS A 23 -11.282 -0.028 -1.115 1.00 0.00 C ATOM 362 O CYS A 23 -12.286 -0.368 -1.738 1.00 0.00 O ATOM 363 CB CYS A 23 -9.459 -1.147 -2.500 1.00 0.00 C ATOM 364 SG CYS A 23 -7.844 -0.926 -3.303 1.00 0.00 S ATOM 0 H CYS A 23 -8.133 0.298 -0.984 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.203 0.832 -2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.373 -1.886 -1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.176 -1.538 -3.222 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.938 -0.698 -2.399 1.00 0.00 H new ATOM 369 N ASN A 24 -11.280 0.170 0.224 1.00 0.00 N ATOM 370 CA ASN A 24 -12.537 0.085 1.008 1.00 0.00 C ATOM 371 C ASN A 24 -13.036 1.415 1.596 1.00 0.00 C ATOM 372 O ASN A 24 -14.192 1.466 2.006 1.00 0.00 O ATOM 373 CB ASN A 24 -12.497 -1.040 2.063 1.00 0.00 C ATOM 374 CG ASN A 24 -13.869 -1.338 2.676 1.00 0.00 C ATOM 375 OD1 ASN A 24 -14.805 -1.684 1.964 1.00 0.00 O ATOM 376 ND2 ASN A 24 -14.036 -1.305 3.992 1.00 0.00 N ATOM 0 H ASN A 24 -10.447 0.384 0.773 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.292 -0.181 0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.106 -1.948 1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -11.804 -0.761 2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.934 -1.566 4.399 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.266 -1.019 4.597 1.00 0.00 H new ATOM 383 N ALA A 25 -12.235 2.498 1.632 1.00 0.00 N ATOM 384 CA ALA A 25 -12.618 3.795 2.227 1.00 0.00 C ATOM 385 C ALA A 25 -13.062 3.613 3.681 1.00 0.00 C ATOM 386 O ALA A 25 -13.795 4.435 4.226 1.00 0.00 O ATOM 387 CB ALA A 25 -13.691 4.456 1.333 1.00 0.00 C ATOM 0 H ALA A 25 -11.292 2.497 1.244 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.761 4.467 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.982 5.415 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.285 4.614 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.564 3.806 1.271 1.00 0.00 H new ATOM 393 N ASP A 26 -12.475 2.603 4.328 1.00 0.00 N ATOM 394 CA ASP A 26 -12.509 2.028 5.693 1.00 0.00 C ATOM 395 C ASP A 26 -11.940 2.965 6.761 1.00 0.00 C ATOM 396 O ASP A 26 -11.179 2.647 7.676 1.00 0.00 O ATOM 397 CB ASP A 26 -11.618 0.837 5.544 1.00 0.00 C ATOM 398 CG ASP A 26 -11.751 -0.221 6.633 1.00 0.00 C ATOM 399 OD1 ASP A 26 -12.791 -0.910 6.587 1.00 0.00 O ATOM 400 OD2 ASP A 26 -10.789 -0.411 7.412 1.00 0.00 O ATOM 0 H ASP A 26 -11.817 2.045 3.784 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.526 1.819 6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.823 0.370 4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.584 1.180 5.519 1.00 0.00 H new ATOM 405 N THR A 27 -12.254 4.196 6.479 1.00 0.00 N ATOM 406 CA THR A 27 -11.621 5.417 6.908 1.00 0.00 C ATOM 407 C THR A 27 -12.573 6.504 7.394 1.00 0.00 C ATOM 408 O THR A 27 -13.794 6.343 7.443 1.00 0.00 O ATOM 409 CB THR A 27 -10.781 5.880 5.718 1.00 0.00 C ATOM 410 OG1 THR A 27 -11.605 6.426 4.711 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.848 4.844 5.094 1.00 0.00 C ATOM 0 H THR A 27 -13.051 4.394 5.874 1.00 0.00 H new ATOM 0 HA THR A 27 -11.019 5.220 7.795 1.00 0.00 H new ATOM 0 HB THR A 27 -10.121 6.631 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.420 5.888 4.628 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.309 5.295 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.135 4.498 5.843 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.433 3.998 4.732 1.00 0.00 H new ATOM 419 N SER A 28 -11.987 7.664 7.695 1.00 0.00 N ATOM 420 CA SER A 28 -12.697 8.911 7.906 1.00 0.00 C ATOM 421 C SER A 28 -13.582 9.325 6.752 1.00 0.00 C ATOM 422 O SER A 28 -14.496 10.115 6.968 1.00 0.00 O ATOM 423 CB SER A 28 -11.686 9.984 8.219 1.00 0.00 C ATOM 424 OG SER A 28 -10.638 9.975 7.293 1.00 0.00 O ATOM 0 H SER A 28 -10.977 7.757 7.800 1.00 0.00 H new ATOM 0 HA SER A 28 -13.382 8.761 8.741 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.173 10.959 8.212 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.289 9.832 9.223 1.00 0.00 H new ATOM 0 HG SER A 28 -9.850 10.404 7.687 1.00 0.00 H new ATOM 430 N SER A 29 -13.276 8.778 5.575 1.00 0.00 N ATOM 431 CA SER A 29 -14.137 8.606 4.399 1.00 0.00 C ATOM 432 C SER A 29 -13.791 9.393 3.158 1.00 0.00 C ATOM 433 O SER A 29 -14.408 9.194 2.114 1.00 0.00 O ATOM 434 CB SER A 29 -15.583 8.761 4.670 1.00 0.00 C ATOM 435 OG SER A 29 -16.096 7.892 5.675 1.00 0.00 O ATOM 0 H SER A 29 -12.340 8.412 5.403 1.00 0.00 H new ATOM 0 HA SER A 29 -13.911 7.564 4.171 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.775 9.792 4.968 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.133 8.589 3.745 1.00 0.00 H new ATOM 0 HG SER A 29 -17.054 8.059 5.794 1.00 0.00 H new ATOM 441 N GLU A 30 -12.767 10.222 3.252 1.00 0.00 N ATOM 442 CA GLU A 30 -12.154 10.755 2.046 1.00 0.00 C ATOM 443 C GLU A 30 -10.688 11.121 2.254 1.00 0.00 C ATOM 444 O GLU A 30 -9.900 11.337 1.340 1.00 0.00 O ATOM 445 CB GLU A 30 -12.991 11.969 1.567 1.00 0.00 C ATOM 446 CG GLU A 30 -12.590 12.614 0.230 1.00 0.00 C ATOM 447 CD GLU A 30 -13.490 13.818 -0.097 1.00 0.00 C ATOM 448 OE1 GLU A 30 -13.358 14.851 0.602 1.00 0.00 O ATOM 449 OE2 GLU A 30 -14.306 13.709 -1.041 1.00 0.00 O ATOM 0 H GLU A 30 -12.349 10.536 4.128 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.154 9.984 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.032 11.653 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.946 12.737 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.550 12.936 0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.661 11.876 -0.569 1.00 0.00 H new ATOM 456 N GLU A 31 -10.290 11.058 3.508 1.00 0.00 N ATOM 457 CA GLU A 31 -9.152 11.751 4.039 1.00 0.00 C ATOM 458 C GLU A 31 -7.971 10.903 4.309 1.00 0.00 C ATOM 459 O GLU A 31 -6.989 10.957 3.588 1.00 0.00 O ATOM 460 CB GLU A 31 -9.710 12.390 5.229 1.00 0.00 C ATOM 461 CG GLU A 31 -8.854 13.263 6.119 1.00 0.00 C ATOM 462 CD GLU A 31 -8.241 12.539 7.342 1.00 0.00 C ATOM 463 OE1 GLU A 31 -8.975 11.761 7.994 1.00 0.00 O ATOM 464 OE2 GLU A 31 -7.041 12.726 7.653 1.00 0.00 O ATOM 0 H GLU A 31 -10.776 10.497 4.208 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.724 12.456 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.552 12.999 4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.117 11.597 5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.046 13.685 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.458 14.098 6.474 1.00 0.00 H new ATOM 471 N GLU A 32 -8.175 10.084 5.323 1.00 0.00 N ATOM 472 CA GLU A 32 -7.463 8.867 5.581 1.00 0.00 C ATOM 473 C GLU A 32 -7.239 8.232 4.242 1.00 0.00 C ATOM 474 O GLU A 32 -6.139 7.863 3.984 1.00 0.00 O ATOM 475 CB GLU A 32 -8.255 7.979 6.456 1.00 0.00 C ATOM 476 CG GLU A 32 -7.969 8.238 7.908 1.00 0.00 C ATOM 477 CD GLU A 32 -6.707 7.598 8.478 1.00 0.00 C ATOM 478 OE1 GLU A 32 -6.587 6.360 8.390 1.00 0.00 O ATOM 479 OE2 GLU A 32 -5.910 8.367 9.062 1.00 0.00 O ATOM 0 H GLU A 32 -8.889 10.271 6.027 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.520 9.055 6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.317 8.128 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.030 6.939 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.901 9.316 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.821 7.889 8.491 1.00 0.00 H new ATOM 486 N LEU A 33 -8.210 8.195 3.341 1.00 0.00 N ATOM 487 CA LEU A 33 -8.051 7.680 1.997 1.00 0.00 C ATOM 488 C LEU A 33 -6.894 8.299 1.236 1.00 0.00 C ATOM 489 O LEU A 33 -5.963 7.584 0.900 1.00 0.00 O ATOM 490 CB LEU A 33 -9.358 7.912 1.260 1.00 0.00 C ATOM 491 CG LEU A 33 -10.266 6.743 1.605 1.00 0.00 C ATOM 492 CD1 LEU A 33 -11.676 7.284 1.737 1.00 0.00 C ATOM 493 CD2 LEU A 33 -10.114 5.724 0.474 1.00 0.00 C ATOM 0 H LEU A 33 -9.153 8.532 3.534 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.810 6.619 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.811 8.856 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.191 7.968 0.184 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.016 6.251 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.357 6.469 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.705 8.035 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.981 7.738 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.749 4.861 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.411 6.181 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.074 5.403 0.411 1.00 0.00 H new ATOM 505 N VAL A 34 -6.928 9.606 0.992 1.00 0.00 N ATOM 506 CA VAL A 34 -5.838 10.385 0.396 1.00 0.00 C ATOM 507 C VAL A 34 -4.523 10.188 1.162 1.00 0.00 C ATOM 508 O VAL A 34 -3.423 10.249 0.623 1.00 0.00 O ATOM 509 CB VAL A 34 -6.295 11.837 0.326 1.00 0.00 C ATOM 510 CG1 VAL A 34 -5.185 12.890 0.185 1.00 0.00 C ATOM 511 CG2 VAL A 34 -7.295 12.017 -0.820 1.00 0.00 C ATOM 0 H VAL A 34 -7.745 10.176 1.211 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.619 10.040 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.748 12.021 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.630 13.884 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.513 12.827 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.624 12.707 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.616 13.058 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.821 11.745 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.161 11.377 -0.651 1.00 0.00 H new ATOM 521 N LYS A 35 -4.640 9.914 2.446 1.00 0.00 N ATOM 522 CA LYS A 35 -3.571 9.867 3.418 1.00 0.00 C ATOM 523 C LYS A 35 -2.993 8.468 3.562 1.00 0.00 C ATOM 524 O LYS A 35 -1.826 8.356 3.897 1.00 0.00 O ATOM 525 CB LYS A 35 -4.214 10.480 4.637 1.00 0.00 C ATOM 526 CG LYS A 35 -3.524 10.266 5.950 1.00 0.00 C ATOM 527 CD LYS A 35 -4.450 10.972 6.950 1.00 0.00 C ATOM 528 CE LYS A 35 -4.203 10.754 8.433 1.00 0.00 C ATOM 529 NZ LYS A 35 -5.472 10.996 9.152 1.00 0.00 N ATOM 0 H LYS A 35 -5.547 9.704 2.864 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.669 10.419 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.300 11.554 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.228 10.088 4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.416 9.206 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.523 10.697 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.394 12.043 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.472 10.662 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.851 9.739 8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.427 11.430 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.267 11.352 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.036 11.700 8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.007 10.107 9.221 1.00 0.00 H new ATOM 543 N LEU A 36 -3.747 7.423 3.249 1.00 0.00 N ATOM 544 CA LEU A 36 -3.429 6.034 3.141 1.00 0.00 C ATOM 545 C LEU A 36 -2.866 5.840 1.747 1.00 0.00 C ATOM 546 O LEU A 36 -1.947 5.048 1.578 1.00 0.00 O ATOM 547 CB LEU A 36 -4.762 5.289 3.394 1.00 0.00 C ATOM 548 CG LEU A 36 -5.058 5.274 4.893 1.00 0.00 C ATOM 549 CD1 LEU A 36 -6.518 4.982 5.109 1.00 0.00 C ATOM 550 CD2 LEU A 36 -4.283 4.217 5.660 1.00 0.00 C ATOM 0 H LEU A 36 -4.734 7.570 3.038 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.689 5.657 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.573 5.780 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.699 4.269 3.014 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.761 6.255 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.733 4.971 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.119 5.753 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.762 4.010 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.546 4.268 6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.532 3.230 5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.214 4.394 5.543 1.00 0.00 H new ATOM 562 N VAL A 37 -3.382 6.601 0.772 1.00 0.00 N ATOM 563 CA VAL A 37 -2.840 6.689 -0.568 1.00 0.00 C ATOM 564 C VAL A 37 -1.396 7.133 -0.401 1.00 0.00 C ATOM 565 O VAL A 37 -0.486 6.393 -0.739 1.00 0.00 O ATOM 566 CB VAL A 37 -3.703 7.648 -1.430 1.00 0.00 C ATOM 567 CG1 VAL A 37 -2.991 8.426 -2.542 1.00 0.00 C ATOM 568 CG2 VAL A 37 -4.877 6.895 -2.051 1.00 0.00 C ATOM 0 H VAL A 37 -4.209 7.183 0.909 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.862 5.740 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.018 8.403 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.711 9.056 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.211 9.050 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.544 7.725 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.473 7.582 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.500 6.092 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.498 6.473 -1.261 1.00 0.00 H new ATOM 578 N THR A 38 -1.192 8.284 0.226 1.00 0.00 N ATOM 579 CA THR A 38 0.100 8.907 0.401 1.00 0.00 C ATOM 580 C THR A 38 0.957 8.165 1.416 1.00 0.00 C ATOM 581 O THR A 38 2.160 8.080 1.212 1.00 0.00 O ATOM 582 CB THR A 38 -0.031 10.387 0.548 1.00 0.00 C ATOM 583 OG1 THR A 38 -0.513 10.997 -0.639 1.00 0.00 O ATOM 584 CG2 THR A 38 1.192 11.154 1.059 1.00 0.00 C ATOM 0 H THR A 38 -1.953 8.823 0.639 1.00 0.00 H new ATOM 0 HA THR A 38 0.691 8.805 -0.509 1.00 0.00 H new ATOM 0 HB THR A 38 -0.762 10.468 1.352 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.008 10.678 -1.405 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.957 12.217 1.117 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.464 10.788 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.027 11.004 0.375 1.00 0.00 H new ATOM 592 N HIS A 39 0.372 7.524 2.436 1.00 0.00 N ATOM 593 CA HIS A 39 1.084 6.525 3.208 1.00 0.00 C ATOM 594 C HIS A 39 1.640 5.445 2.290 1.00 0.00 C ATOM 595 O HIS A 39 2.730 4.963 2.551 1.00 0.00 O ATOM 596 CB HIS A 39 0.191 5.863 4.242 1.00 0.00 C ATOM 597 CG HIS A 39 0.934 5.007 5.231 1.00 0.00 C ATOM 598 ND1 HIS A 39 1.985 5.395 6.031 1.00 0.00 N ATOM 599 CD2 HIS A 39 0.561 3.748 5.615 1.00 0.00 C ATOM 600 CE1 HIS A 39 2.183 4.412 6.920 1.00 0.00 C ATOM 601 NE2 HIS A 39 1.337 3.383 6.720 1.00 0.00 N ATOM 0 H HIS A 39 -0.589 7.686 2.737 1.00 0.00 H new ATOM 0 HA HIS A 39 1.894 7.042 3.723 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.356 6.635 4.783 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.549 5.249 3.729 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.513 6.265 5.961 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.200 3.142 5.147 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.929 4.441 7.701 1.00 0.00 H new ATOM 609 N PHE A 40 0.941 5.037 1.227 1.00 0.00 N ATOM 610 CA PHE A 40 1.512 4.020 0.345 1.00 0.00 C ATOM 611 C PHE A 40 2.744 4.605 -0.345 1.00 0.00 C ATOM 612 O PHE A 40 3.836 4.046 -0.259 1.00 0.00 O ATOM 613 CB PHE A 40 0.493 3.468 -0.661 1.00 0.00 C ATOM 614 CG PHE A 40 0.942 2.156 -1.266 1.00 0.00 C ATOM 615 CD1 PHE A 40 1.989 2.123 -2.203 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.365 0.951 -0.834 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.427 0.894 -2.720 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.808 -0.276 -1.364 1.00 0.00 C ATOM 619 CZ PHE A 40 1.813 -0.304 -2.334 1.00 0.00 C ATOM 0 H PHE A 40 0.017 5.379 0.964 1.00 0.00 H new ATOM 0 HA PHE A 40 1.809 3.161 0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.467 3.327 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.337 4.198 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.456 3.042 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.421 0.965 -0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.246 0.872 -3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.369 -1.200 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.113 -1.240 -2.782 1.00 0.00 H new ATOM 629 N GLU A 41 2.561 5.752 -0.992 1.00 0.00 N ATOM 630 CA GLU A 41 3.587 6.555 -1.659 1.00 0.00 C ATOM 631 C GLU A 41 4.821 6.801 -0.780 1.00 0.00 C ATOM 632 O GLU A 41 5.940 6.919 -1.279 1.00 0.00 O ATOM 633 CB GLU A 41 3.034 7.844 -2.237 1.00 0.00 C ATOM 634 CG GLU A 41 1.682 7.716 -2.937 1.00 0.00 C ATOM 635 CD GLU A 41 1.138 9.017 -3.530 1.00 0.00 C ATOM 636 OE1 GLU A 41 0.842 9.942 -2.734 1.00 0.00 O ATOM 637 OE2 GLU A 41 0.984 9.049 -4.776 1.00 0.00 O ATOM 0 H GLU A 41 1.636 6.174 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 41 3.928 5.954 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.941 8.574 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.757 8.244 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.771 6.979 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.955 7.327 -2.224 1.00 0.00 H new ATOM 644 N GLU A 42 4.606 6.840 0.531 1.00 0.00 N ATOM 645 CA GLU A 42 5.573 7.104 1.572 1.00 0.00 C ATOM 646 C GLU A 42 6.310 5.815 1.885 1.00 0.00 C ATOM 647 O GLU A 42 7.509 5.660 1.633 1.00 0.00 O ATOM 648 CB GLU A 42 4.874 7.727 2.740 1.00 0.00 C ATOM 649 CG GLU A 42 5.612 8.074 4.029 1.00 0.00 C ATOM 650 CD GLU A 42 5.399 7.010 5.107 1.00 0.00 C ATOM 651 OE1 GLU A 42 4.265 6.945 5.645 1.00 0.00 O ATOM 652 OE2 GLU A 42 6.366 6.268 5.380 1.00 0.00 O ATOM 0 H GLU A 42 3.676 6.674 0.915 1.00 0.00 H new ATOM 0 HA GLU A 42 6.332 7.822 1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.419 8.650 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.060 7.056 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.678 8.175 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.266 9.040 4.398 1.00 0.00 H new ATOM 659 N MET A 43 5.509 4.865 2.361 1.00 0.00 N ATOM 660 CA MET A 43 5.894 3.689 3.088 1.00 0.00 C ATOM 661 C MET A 43 6.970 2.936 2.350 1.00 0.00 C ATOM 662 O MET A 43 7.932 2.421 2.922 1.00 0.00 O ATOM 663 CB MET A 43 4.697 2.739 3.188 1.00 0.00 C ATOM 664 CG MET A 43 3.814 2.950 4.400 1.00 0.00 C ATOM 665 SD MET A 43 4.425 2.214 5.928 1.00 0.00 S ATOM 666 CE MET A 43 5.274 3.642 6.640 1.00 0.00 C ATOM 0 H MET A 43 4.499 4.915 2.231 1.00 0.00 H new ATOM 0 HA MET A 43 6.248 4.006 4.069 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.089 2.849 2.290 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.066 1.713 3.200 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.688 4.021 4.556 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.827 2.540 4.187 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.080 3.683 7.712 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.346 3.551 6.468 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.908 4.555 6.170 1.00 0.00 H new ATOM 676 N THR A 44 6.696 2.753 1.061 1.00 0.00 N ATOM 677 CA THR A 44 7.330 1.729 0.287 1.00 0.00 C ATOM 678 C THR A 44 8.381 2.315 -0.653 1.00 0.00 C ATOM 679 O THR A 44 8.923 1.548 -1.462 1.00 0.00 O ATOM 680 CB THR A 44 6.266 0.826 -0.359 1.00 0.00 C ATOM 681 OG1 THR A 44 6.889 -0.181 -1.137 1.00 0.00 O ATOM 682 CG2 THR A 44 5.262 1.607 -1.204 1.00 0.00 C ATOM 0 H THR A 44 6.027 3.318 0.539 1.00 0.00 H new ATOM 0 HA THR A 44 7.909 1.065 0.929 1.00 0.00 H new ATOM 0 HB THR A 44 5.702 0.365 0.452 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.692 0.185 -1.563 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.535 0.918 -1.635 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.746 2.334 -0.577 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.787 2.128 -2.005 1.00 0.00 H new ATOM 690 N GLU A 45 8.707 3.612 -0.556 1.00 0.00 N ATOM 691 CA GLU A 45 9.785 4.219 -1.341 1.00 0.00 C ATOM 692 C GLU A 45 9.589 3.912 -2.837 1.00 0.00 C ATOM 693 O GLU A 45 10.571 3.717 -3.560 1.00 0.00 O ATOM 694 CB GLU A 45 11.131 3.669 -0.843 1.00 0.00 C ATOM 695 CG GLU A 45 11.430 3.659 0.670 1.00 0.00 C ATOM 696 CD GLU A 45 12.275 2.418 0.966 1.00 0.00 C ATOM 697 OE1 GLU A 45 13.490 2.429 0.660 1.00 0.00 O ATOM 698 OE2 GLU A 45 11.675 1.341 1.201 1.00 0.00 O ATOM 0 H GLU A 45 8.232 4.265 0.067 1.00 0.00 H new ATOM 0 HA GLU A 45 9.771 5.302 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.218 2.643 -1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.919 4.244 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.963 4.564 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.503 3.637 1.243 1.00 0.00 H new ATOM 705 N HIS A 46 8.333 3.718 -3.257 1.00 0.00 N ATOM 706 CA HIS A 46 8.036 2.995 -4.476 1.00 0.00 C ATOM 707 C HIS A 46 7.849 3.974 -5.635 1.00 0.00 C ATOM 708 O HIS A 46 7.162 4.976 -5.465 1.00 0.00 O ATOM 709 CB HIS A 46 6.812 2.080 -4.292 1.00 0.00 C ATOM 710 CG HIS A 46 6.495 1.246 -5.512 1.00 0.00 C ATOM 711 ND1 HIS A 46 5.680 1.645 -6.545 1.00 0.00 N ATOM 712 CD2 HIS A 46 7.058 0.049 -5.885 1.00 0.00 C ATOM 713 CE1 HIS A 46 5.782 0.728 -7.526 1.00 0.00 C ATOM 714 NE2 HIS A 46 6.598 -0.261 -7.158 1.00 0.00 N ATOM 0 H HIS A 46 7.510 4.058 -2.760 1.00 0.00 H new ATOM 0 HA HIS A 46 8.880 2.349 -4.717 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.987 1.418 -3.444 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.945 2.692 -4.044 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.102 2.485 -6.565 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.738 -0.545 -5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.274 0.785 -8.477 1.00 0.00 H new ATOM 722 N PRO A 47 8.376 3.633 -6.823 1.00 0.00 N ATOM 723 CA PRO A 47 8.167 4.328 -8.091 1.00 0.00 C ATOM 724 C PRO A 47 6.771 4.906 -8.289 1.00 0.00 C ATOM 725 O PRO A 47 6.616 6.100 -8.521 1.00 0.00 O ATOM 726 CB PRO A 47 8.479 3.274 -9.163 1.00 0.00 C ATOM 727 CG PRO A 47 9.496 2.367 -8.477 1.00 0.00 C ATOM 728 CD PRO A 47 9.223 2.471 -7.020 1.00 0.00 C ATOM 0 HA PRO A 47 8.808 5.209 -8.136 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.585 2.725 -9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.889 3.727 -10.066 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.394 1.337 -8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.515 2.680 -8.706 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.730 1.570 -6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.153 2.574 -6.461 1.00 0.00 H new ATOM 736 N SER A 48 5.778 4.030 -8.217 1.00 0.00 N ATOM 737 CA SER A 48 4.465 4.235 -8.780 1.00 0.00 C ATOM 738 C SER A 48 3.405 4.439 -7.716 1.00 0.00 C ATOM 739 O SER A 48 2.394 3.800 -7.711 1.00 0.00 O ATOM 740 CB SER A 48 4.183 3.135 -9.792 1.00 0.00 C ATOM 741 OG SER A 48 4.982 3.358 -10.934 1.00 0.00 O ATOM 0 H SER A 48 5.875 3.129 -7.748 1.00 0.00 H new ATOM 0 HA SER A 48 4.433 5.176 -9.330 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.404 2.159 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.127 3.132 -10.064 1.00 0.00 H new ATOM 0 HG SER A 48 4.680 4.171 -11.390 1.00 0.00 H new ATOM 747 N GLY A 49 3.666 5.294 -6.767 1.00 0.00 N ATOM 748 CA GLY A 49 2.858 5.771 -5.654 1.00 0.00 C ATOM 749 C GLY A 49 1.351 5.654 -5.889 1.00 0.00 C ATOM 750 O GLY A 49 0.701 4.834 -5.247 1.00 0.00 O ATOM 0 H GLY A 49 4.582 5.743 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.121 5.208 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.106 6.814 -5.459 1.00 0.00 H new ATOM 754 N SER A 50 0.807 6.429 -6.824 1.00 0.00 N ATOM 755 CA SER A 50 -0.605 6.379 -7.186 1.00 0.00 C ATOM 756 C SER A 50 -0.840 5.537 -8.456 1.00 0.00 C ATOM 757 O SER A 50 -1.981 5.340 -8.885 1.00 0.00 O ATOM 758 CB SER A 50 -1.119 7.816 -7.323 1.00 0.00 C ATOM 759 OG SER A 50 -1.245 8.443 -6.058 1.00 0.00 O ATOM 0 H SER A 50 1.341 7.116 -7.356 1.00 0.00 H new ATOM 0 HA SER A 50 -1.171 5.877 -6.402 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.436 8.390 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.086 7.812 -7.827 1.00 0.00 H new ATOM 0 HG SER A 50 -0.438 8.274 -5.527 1.00 0.00 H new ATOM 765 N ASP A 51 0.210 4.956 -9.037 1.00 0.00 N ATOM 766 CA ASP A 51 0.269 4.235 -10.274 1.00 0.00 C ATOM 767 C ASP A 51 0.374 2.764 -9.926 1.00 0.00 C ATOM 768 O ASP A 51 0.320 1.940 -10.837 1.00 0.00 O ATOM 769 CB ASP A 51 1.401 4.638 -11.238 1.00 0.00 C ATOM 770 CG ASP A 51 2.442 5.722 -10.915 1.00 0.00 C ATOM 771 OD1 ASP A 51 2.172 6.682 -10.153 1.00 0.00 O ATOM 772 OD2 ASP A 51 3.556 5.571 -11.472 1.00 0.00 O ATOM 0 H ASP A 51 1.127 4.993 -8.592 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.637 4.480 -10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.961 3.728 -11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.920 4.942 -12.168 1.00 0.00 H new ATOM 777 N LEU A 52 0.484 2.400 -8.636 1.00 0.00 N ATOM 778 CA LEU A 52 0.124 1.086 -8.244 1.00 0.00 C ATOM 779 C LEU A 52 -0.978 1.275 -7.260 1.00 0.00 C ATOM 780 O LEU A 52 -1.002 0.542 -6.293 1.00 0.00 O ATOM 781 CB LEU A 52 1.257 0.258 -7.660 1.00 0.00 C ATOM 782 CG LEU A 52 2.320 0.922 -6.805 1.00 0.00 C ATOM 783 CD1 LEU A 52 1.835 1.779 -5.654 1.00 0.00 C ATOM 784 CD2 LEU A 52 3.090 -0.198 -6.156 1.00 0.00 C ATOM 0 H LEU A 52 0.815 3.005 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.171 0.507 -9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.805 -0.532 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.767 -0.226 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 52 2.867 1.582 -7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.692 2.195 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.218 2.591 -6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.246 1.169 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.874 0.218 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.414 -0.799 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.539 -0.825 -6.926 1.00 0.00 H new ATOM 796 N ILE A 53 -1.839 2.278 -7.420 1.00 0.00 N ATOM 797 CA ILE A 53 -3.006 2.362 -6.626 1.00 0.00 C ATOM 798 C ILE A 53 -4.202 2.533 -7.568 1.00 0.00 C ATOM 799 O ILE A 53 -5.144 1.760 -7.437 1.00 0.00 O ATOM 800 CB ILE A 53 -2.779 3.344 -5.490 1.00 0.00 C ATOM 801 CG1 ILE A 53 -1.692 2.777 -4.547 1.00 0.00 C ATOM 802 CG2 ILE A 53 -4.096 3.488 -4.753 1.00 0.00 C ATOM 803 CD1 ILE A 53 -2.025 1.545 -3.778 1.00 0.00 C ATOM 0 H ILE A 53 -1.727 3.031 -8.099 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.257 1.458 -6.072 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.446 4.314 -5.858 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.803 2.572 -5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.425 3.557 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.976 4.188 -3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.857 3.863 -5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.404 2.517 -4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.174 1.261 -3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.888 1.736 -3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.257 0.736 -4.470 1.00 0.00 H new ATOM 815 N TYR A 54 -4.157 3.452 -8.554 1.00 0.00 N ATOM 816 CA TYR A 54 -5.305 3.660 -9.453 1.00 0.00 C ATOM 817 C TYR A 54 -5.004 3.950 -10.935 1.00 0.00 C ATOM 818 O TYR A 54 -5.942 3.884 -11.730 1.00 0.00 O ATOM 819 CB TYR A 54 -6.203 4.784 -8.944 1.00 0.00 C ATOM 820 CG TYR A 54 -6.400 4.920 -7.444 1.00 0.00 C ATOM 821 CD1 TYR A 54 -7.143 3.963 -6.724 1.00 0.00 C ATOM 822 CD2 TYR A 54 -5.811 5.999 -6.757 1.00 0.00 C ATOM 823 CE1 TYR A 54 -7.472 4.184 -5.377 1.00 0.00 C ATOM 824 CE2 TYR A 54 -6.024 6.150 -5.377 1.00 0.00 C ATOM 825 CZ TYR A 54 -6.935 5.301 -4.706 1.00 0.00 C ATOM 826 OH TYR A 54 -7.231 5.500 -3.399 1.00 0.00 O ATOM 0 H TYR A 54 -3.353 4.051 -8.744 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.787 2.683 -9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.799 5.726 -9.314 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.185 4.658 -9.399 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.461 3.054 -7.212 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.197 6.709 -7.290 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.131 3.503 -4.859 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.493 6.914 -4.829 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.378 6.456 -3.239 1.00 0.00 H new ATOM 836 N TYR A 55 -3.760 4.250 -11.348 1.00 0.00 N ATOM 837 CA TYR A 55 -3.430 4.152 -12.778 1.00 0.00 C ATOM 838 C TYR A 55 -3.268 2.706 -13.314 1.00 0.00 C ATOM 839 O TYR A 55 -3.406 2.549 -14.530 1.00 0.00 O ATOM 840 CB TYR A 55 -2.160 4.906 -13.225 1.00 0.00 C ATOM 841 CG TYR A 55 -1.705 6.256 -12.686 1.00 0.00 C ATOM 842 CD1 TYR A 55 -2.301 6.935 -11.602 1.00 0.00 C ATOM 843 CD2 TYR A 55 -0.481 6.727 -13.201 1.00 0.00 C ATOM 844 CE1 TYR A 55 -1.576 7.928 -10.917 1.00 0.00 C ATOM 845 CE2 TYR A 55 0.258 7.695 -12.509 1.00 0.00 C ATOM 846 CZ TYR A 55 -0.256 8.234 -11.315 1.00 0.00 C ATOM 847 OH TYR A 55 0.574 8.925 -10.494 1.00 0.00 O ATOM 0 H TYR A 55 -2.997 4.550 -10.741 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.315 4.627 -13.202 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.330 4.221 -13.053 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.251 5.031 -14.304 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.309 6.694 -11.299 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.109 6.338 -14.138 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.028 8.454 -10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.214 8.025 -12.888 1.00 0.00 H new ATOM 0 HH TYR A 55 1.306 8.342 -10.203 1.00 0.00 H new ATOM 857 N PRO A 56 -2.929 1.661 -12.523 1.00 0.00 N ATOM 858 CA PRO A 56 -2.854 0.293 -13.034 1.00 0.00 C ATOM 859 C PRO A 56 -4.281 -0.217 -13.281 1.00 0.00 C ATOM 860 O PRO A 56 -5.227 0.534 -13.025 1.00 0.00 O ATOM 861 CB PRO A 56 -2.128 -0.503 -11.949 1.00 0.00 C ATOM 862 CG PRO A 56 -2.682 0.161 -10.699 1.00 0.00 C ATOM 863 CD PRO A 56 -2.825 1.609 -11.075 1.00 0.00 C ATOM 0 HA PRO A 56 -2.321 0.206 -13.981 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.360 -1.567 -11.990 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.044 -0.410 -12.022 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.641 -0.271 -10.411 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.009 0.036 -9.851 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.709 2.044 -10.609 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.967 2.184 -10.729 1.00 0.00 H new ATOM 871 N LYS A 57 -4.415 -1.472 -13.762 1.00 0.00 N ATOM 872 CA LYS A 57 -5.631 -2.295 -13.995 1.00 0.00 C ATOM 873 C LYS A 57 -5.822 -2.614 -15.459 1.00 0.00 C ATOM 874 O LYS A 57 -6.431 -3.588 -15.890 1.00 0.00 O ATOM 875 CB LYS A 57 -6.878 -1.529 -13.601 1.00 0.00 C ATOM 876 CG LYS A 57 -8.197 -2.283 -13.756 1.00 0.00 C ATOM 877 CD LYS A 57 -9.246 -1.590 -12.895 1.00 0.00 C ATOM 878 CE LYS A 57 -9.835 -0.279 -13.466 1.00 0.00 C ATOM 879 NZ LYS A 57 -8.827 0.722 -13.895 1.00 0.00 N ATOM 0 H LYS A 57 -3.581 -1.996 -14.028 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.491 -3.201 -13.405 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.778 -1.220 -12.561 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.928 -0.620 -14.201 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.509 -2.293 -14.800 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.079 -3.322 -13.449 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.065 -2.288 -12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.803 -1.373 -11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.469 -0.523 -14.318 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.477 0.174 -12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.273 1.660 -13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.051 0.752 -13.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.450 0.457 -14.827 1.00 0.00 H new ATOM 893 N GLU A 58 -5.232 -1.735 -16.239 1.00 0.00 N ATOM 894 CA GLU A 58 -5.656 -1.548 -17.606 1.00 0.00 C ATOM 895 C GLU A 58 -5.096 -2.368 -18.739 1.00 0.00 C ATOM 896 O GLU A 58 -5.548 -2.416 -19.882 1.00 0.00 O ATOM 897 CB GLU A 58 -5.666 -0.095 -17.860 1.00 0.00 C ATOM 898 CG GLU A 58 -6.932 0.282 -18.613 1.00 0.00 C ATOM 899 CD GLU A 58 -8.113 0.691 -17.699 1.00 0.00 C ATOM 900 OE1 GLU A 58 -8.158 0.281 -16.510 1.00 0.00 O ATOM 901 OE2 GLU A 58 -9.002 1.421 -18.189 1.00 0.00 O ATOM 0 H GLU A 58 -4.457 -1.139 -15.948 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.641 -2.013 -17.640 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.616 0.450 -16.917 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.788 0.189 -18.440 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.708 1.107 -19.289 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.240 -0.562 -19.230 1.00 0.00 H new ATOM 908 N GLY A 59 -4.109 -3.060 -18.297 1.00 0.00 N ATOM 909 CA GLY A 59 -3.556 -4.244 -18.860 1.00 0.00 C ATOM 910 C GLY A 59 -2.889 -5.001 -17.710 1.00 0.00 C ATOM 911 O GLY A 59 -2.095 -5.904 -17.962 1.00 0.00 O ATOM 0 H GLY A 59 -3.618 -2.785 -17.446 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.332 -4.851 -19.326 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.831 -4.002 -19.637 1.00 0.00 H new ATOM 915 N ASP A 60 -3.188 -4.597 -16.464 1.00 0.00 N ATOM 916 CA ASP A 60 -2.405 -4.840 -15.282 1.00 0.00 C ATOM 917 C ASP A 60 -3.288 -5.395 -14.206 1.00 0.00 C ATOM 918 O ASP A 60 -4.511 -5.292 -14.227 1.00 0.00 O ATOM 919 CB ASP A 60 -1.728 -3.527 -14.838 1.00 0.00 C ATOM 920 CG ASP A 60 -0.300 -3.441 -15.372 1.00 0.00 C ATOM 921 OD1 ASP A 60 0.525 -4.267 -14.925 1.00 0.00 O ATOM 922 OD2 ASP A 60 -0.061 -2.554 -16.222 1.00 0.00 O ATOM 0 H ASP A 60 -4.034 -4.064 -16.264 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.623 -5.571 -15.489 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.306 -2.676 -15.197 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.717 -3.469 -13.750 1.00 0.00 H new ATOM 927 N ASP A 61 -2.585 -5.973 -13.259 1.00 0.00 N ATOM 928 CA ASP A 61 -3.131 -6.452 -12.006 1.00 0.00 C ATOM 929 C ASP A 61 -2.898 -5.417 -10.918 1.00 0.00 C ATOM 930 O ASP A 61 -1.856 -5.389 -10.268 1.00 0.00 O ATOM 931 CB ASP A 61 -2.744 -7.855 -11.609 1.00 0.00 C ATOM 932 CG ASP A 61 -3.361 -8.331 -10.277 1.00 0.00 C ATOM 933 OD1 ASP A 61 -4.450 -7.844 -9.883 1.00 0.00 O ATOM 934 OD2 ASP A 61 -2.748 -9.216 -9.633 1.00 0.00 O ATOM 0 H ASP A 61 -1.580 -6.129 -13.342 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.204 -6.564 -12.161 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.046 -8.540 -12.401 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.658 -7.912 -11.534 1.00 0.00 H new ATOM 939 N ASP A 62 -3.843 -4.501 -10.783 1.00 0.00 N ATOM 940 CA ASP A 62 -4.019 -3.665 -9.609 1.00 0.00 C ATOM 941 C ASP A 62 -4.764 -4.545 -8.570 1.00 0.00 C ATOM 942 O ASP A 62 -4.253 -4.943 -7.532 1.00 0.00 O ATOM 943 CB ASP A 62 -4.871 -2.435 -10.040 1.00 0.00 C ATOM 944 CG ASP A 62 -6.347 -2.642 -10.418 1.00 0.00 C ATOM 945 OD1 ASP A 62 -6.618 -3.617 -11.155 1.00 0.00 O ATOM 946 OD2 ASP A 62 -7.200 -1.822 -10.020 1.00 0.00 O ATOM 0 H ASP A 62 -4.531 -4.314 -11.512 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.085 -3.301 -9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.839 -1.712 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.375 -1.975 -10.894 1.00 0.00 H new ATOM 951 N SER A 63 -5.989 -4.951 -8.846 1.00 0.00 N ATOM 952 CA SER A 63 -6.988 -5.386 -7.877 1.00 0.00 C ATOM 953 C SER A 63 -6.816 -4.528 -6.598 1.00 0.00 C ATOM 954 O SER A 63 -6.449 -3.356 -6.675 1.00 0.00 O ATOM 955 CB SER A 63 -6.798 -6.893 -7.649 1.00 0.00 C ATOM 956 OG SER A 63 -6.864 -7.652 -8.841 1.00 0.00 O ATOM 0 H SER A 63 -6.337 -4.990 -9.804 1.00 0.00 H new ATOM 0 HA SER A 63 -8.012 -5.242 -8.221 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.833 -7.062 -7.172 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.562 -7.248 -6.958 1.00 0.00 H new ATOM 0 HG SER A 63 -5.971 -7.711 -9.241 1.00 0.00 H new ATOM 962 N PRO A 64 -7.132 -5.051 -5.406 1.00 0.00 N ATOM 963 CA PRO A 64 -6.547 -4.477 -4.194 1.00 0.00 C ATOM 964 C PRO A 64 -5.213 -5.087 -3.799 1.00 0.00 C ATOM 965 O PRO A 64 -4.676 -4.783 -2.741 1.00 0.00 O ATOM 966 CB PRO A 64 -7.564 -4.747 -3.107 1.00 0.00 C ATOM 967 CG PRO A 64 -8.885 -4.654 -3.861 1.00 0.00 C ATOM 968 CD PRO A 64 -8.499 -5.451 -5.104 1.00 0.00 C ATOM 0 HA PRO A 64 -6.336 -3.420 -4.357 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.423 -5.729 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.503 -4.014 -2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.716 -5.101 -3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.169 -3.627 -4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.564 -6.523 -4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.167 -5.230 -5.937 1.00 0.00 H new ATOM 976 N SER A 65 -4.748 -6.023 -4.606 1.00 0.00 N ATOM 977 CA SER A 65 -3.770 -7.033 -4.309 1.00 0.00 C ATOM 978 C SER A 65 -2.565 -7.110 -5.200 1.00 0.00 C ATOM 979 O SER A 65 -1.465 -7.107 -4.663 1.00 0.00 O ATOM 980 CB SER A 65 -4.513 -8.354 -4.200 1.00 0.00 C ATOM 981 OG SER A 65 -5.541 -8.516 -5.166 1.00 0.00 O ATOM 0 H SER A 65 -5.079 -6.095 -5.568 1.00 0.00 H new ATOM 0 HA SER A 65 -3.297 -6.752 -3.368 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.799 -9.171 -4.303 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.948 -8.434 -3.204 1.00 0.00 H new ATOM 0 HG SER A 65 -5.975 -9.386 -5.039 1.00 0.00 H new ATOM 987 N GLY A 66 -2.767 -7.187 -6.498 1.00 0.00 N ATOM 988 CA GLY A 66 -1.874 -6.986 -7.592 1.00 0.00 C ATOM 989 C GLY A 66 -1.117 -5.694 -7.420 1.00 0.00 C ATOM 990 O GLY A 66 0.075 -5.685 -7.627 1.00 0.00 O ATOM 0 H GLY A 66 -3.696 -7.426 -6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.174 -7.819 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.433 -6.966 -8.527 1.00 0.00 H new ATOM 994 N ILE A 67 -1.731 -4.636 -6.902 1.00 0.00 N ATOM 995 CA ILE A 67 -1.022 -3.419 -6.597 1.00 0.00 C ATOM 996 C ILE A 67 0.010 -3.551 -5.506 1.00 0.00 C ATOM 997 O ILE A 67 1.157 -3.112 -5.599 1.00 0.00 O ATOM 998 CB ILE A 67 -1.984 -2.289 -6.212 1.00 0.00 C ATOM 999 CG1 ILE A 67 -3.066 -2.666 -5.201 1.00 0.00 C ATOM 1000 CG2 ILE A 67 -2.552 -1.614 -7.441 1.00 0.00 C ATOM 1001 CD1 ILE A 67 -4.213 -1.629 -5.068 1.00 0.00 C ATOM 0 H ILE A 67 -2.728 -4.607 -6.686 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.495 -3.183 -7.522 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.371 -1.567 -5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.494 -3.627 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.601 -2.802 -4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.231 -0.817 -7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.739 -1.193 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.096 -2.345 -8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.935 -1.978 -4.330 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.802 -0.671 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.708 -1.509 -6.031 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.405 -4.196 -4.439 1.00 0.00 N ATOM 1014 CA VAL A 68 0.482 -4.456 -3.321 1.00 0.00 C ATOM 1015 C VAL A 68 1.487 -5.498 -3.786 1.00 0.00 C ATOM 1016 O VAL A 68 2.589 -5.607 -3.263 1.00 0.00 O ATOM 1017 CB VAL A 68 -0.333 -4.939 -2.129 1.00 0.00 C ATOM 1018 CG1 VAL A 68 0.424 -4.691 -0.815 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -1.646 -4.188 -2.077 1.00 0.00 C ATOM 0 H VAL A 68 -1.353 -4.552 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 68 1.011 -3.559 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.509 -6.008 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.177 -5.044 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.372 -5.229 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.615 -3.624 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.229 -4.534 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.451 -3.121 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.205 -4.368 -2.995 1.00 0.00 H new ATOM 1029 N ASN A 69 1.088 -6.259 -4.790 1.00 0.00 N ATOM 1030 CA ASN A 69 1.911 -7.135 -5.597 1.00 0.00 C ATOM 1031 C ASN A 69 2.907 -6.384 -6.430 1.00 0.00 C ATOM 1032 O ASN A 69 4.018 -6.861 -6.576 1.00 0.00 O ATOM 1033 CB ASN A 69 1.123 -8.061 -6.451 1.00 0.00 C ATOM 1034 CG ASN A 69 1.461 -9.524 -6.241 1.00 0.00 C ATOM 1035 OD1 ASN A 69 2.618 -9.923 -6.249 1.00 0.00 O ATOM 1036 ND2 ASN A 69 0.451 -10.329 -5.965 1.00 0.00 N ATOM 0 H ASN A 69 0.111 -6.281 -5.081 1.00 0.00 H new ATOM 0 HA ASN A 69 2.458 -7.742 -4.876 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.062 -7.911 -6.251 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.290 -7.806 -7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.625 -11.311 -5.751 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.503 -9.969 -5.966 1.00 0.00 H new ATOM 1043 N THR A 70 2.561 -5.222 -6.955 1.00 0.00 N ATOM 1044 CA THR A 70 3.460 -4.509 -7.809 1.00 0.00 C ATOM 1045 C THR A 70 4.621 -4.064 -6.922 1.00 0.00 C ATOM 1046 O THR A 70 5.803 -4.171 -7.264 1.00 0.00 O ATOM 1047 CB THR A 70 2.746 -3.309 -8.447 1.00 0.00 C ATOM 1048 OG1 THR A 70 1.675 -3.798 -9.214 1.00 0.00 O ATOM 1049 CG2 THR A 70 3.643 -2.453 -9.345 1.00 0.00 C ATOM 0 H THR A 70 1.664 -4.763 -6.798 1.00 0.00 H new ATOM 0 HA THR A 70 3.819 -5.128 -8.631 1.00 0.00 H new ATOM 0 HB THR A 70 2.418 -2.662 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.061 -4.298 -8.637 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.063 -1.627 -9.757 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.473 -2.058 -8.759 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.032 -3.064 -10.159 1.00 0.00 H new ATOM 1057 N VAL A 71 4.261 -3.682 -5.690 1.00 0.00 N ATOM 1058 CA VAL A 71 5.201 -3.479 -4.622 1.00 0.00 C ATOM 1059 C VAL A 71 5.988 -4.717 -4.422 1.00 0.00 C ATOM 1060 O VAL A 71 7.195 -4.643 -4.377 1.00 0.00 O ATOM 1061 CB VAL A 71 4.509 -3.029 -3.319 1.00 0.00 C ATOM 1062 CG1 VAL A 71 4.882 -3.644 -1.974 1.00 0.00 C ATOM 1063 CG2 VAL A 71 4.893 -1.587 -3.288 1.00 0.00 C ATOM 0 H VAL A 71 3.293 -3.508 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 71 5.875 -2.669 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 71 3.463 -3.328 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.280 -3.190 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.695 -4.717 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.938 -3.465 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.468 -1.116 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.979 -1.500 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.512 -1.090 -4.180 1.00 0.00 H new ATOM 1073 N LYS A 72 5.334 -5.850 -4.321 1.00 0.00 N ATOM 1074 CA LYS A 72 6.002 -7.115 -4.021 1.00 0.00 C ATOM 1075 C LYS A 72 7.037 -7.615 -4.991 1.00 0.00 C ATOM 1076 O LYS A 72 7.572 -8.697 -4.824 1.00 0.00 O ATOM 1077 CB LYS A 72 4.981 -8.230 -3.897 1.00 0.00 C ATOM 1078 CG LYS A 72 5.188 -8.674 -2.476 1.00 0.00 C ATOM 1079 CD LYS A 72 4.452 -7.636 -1.662 1.00 0.00 C ATOM 1080 CE LYS A 72 3.044 -8.241 -1.502 1.00 0.00 C ATOM 1081 NZ LYS A 72 2.100 -7.472 -0.682 1.00 0.00 N ATOM 0 H LYS A 72 4.325 -5.931 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 72 6.532 -6.873 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.965 -7.876 -4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.165 -9.035 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.787 -9.673 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.246 -8.708 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.930 -7.469 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.420 -6.673 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.611 -8.370 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.145 -9.235 -1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.701 -8.086 0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.597 -6.674 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.333 -7.110 -1.283 1.00 0.00 H new ATOM 1095 N GLN A 73 7.226 -6.851 -6.027 1.00 0.00 N ATOM 1096 CA GLN A 73 7.943 -7.089 -7.219 1.00 0.00 C ATOM 1097 C GLN A 73 9.010 -6.032 -7.354 1.00 0.00 C ATOM 1098 O GLN A 73 10.176 -6.369 -7.447 1.00 0.00 O ATOM 1099 CB GLN A 73 6.996 -7.264 -8.406 1.00 0.00 C ATOM 1100 CG GLN A 73 6.166 -8.502 -8.062 1.00 0.00 C ATOM 1101 CD GLN A 73 5.243 -8.962 -9.174 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.679 -9.510 -10.180 1.00 0.00 O ATOM 1103 NE2 GLN A 73 3.955 -8.739 -8.989 1.00 0.00 N ATOM 0 H GLN A 73 6.816 -5.917 -6.042 1.00 0.00 H new ATOM 0 HA GLN A 73 8.473 -8.041 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.362 -6.387 -8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.548 -7.403 -9.336 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.841 -9.318 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.570 -8.290 -7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.634 -8.280 -8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.281 -9.026 -9.698 1.00 0.00 H new ATOM 1112 N TRP A 74 8.662 -4.764 -7.182 1.00 0.00 N ATOM 1113 CA TRP A 74 9.603 -3.693 -6.937 1.00 0.00 C ATOM 1114 C TRP A 74 10.378 -3.962 -5.651 1.00 0.00 C ATOM 1115 O TRP A 74 11.567 -4.248 -5.686 1.00 0.00 O ATOM 1116 CB TRP A 74 8.944 -2.351 -6.968 1.00 0.00 C ATOM 1117 CG TRP A 74 9.979 -1.305 -7.256 1.00 0.00 C ATOM 1118 CD1 TRP A 74 10.417 -0.976 -8.485 1.00 0.00 C ATOM 1119 CD2 TRP A 74 10.745 -0.471 -6.357 1.00 0.00 C ATOM 1120 NE1 TRP A 74 11.501 -0.132 -8.408 1.00 0.00 N ATOM 1121 CE2 TRP A 74 11.695 0.281 -7.115 1.00 0.00 C ATOM 1122 CE3 TRP A 74 10.660 -0.210 -4.985 1.00 0.00 C ATOM 1123 CZ2 TRP A 74 12.512 1.265 -6.546 1.00 0.00 C ATOM 1124 CZ3 TRP A 74 11.433 0.811 -4.430 1.00 0.00 C ATOM 1125 CH2 TRP A 74 12.359 1.551 -5.184 1.00 0.00 C ATOM 0 H TRP A 74 7.692 -4.450 -7.211 1.00 0.00 H new ATOM 0 HA TRP A 74 10.329 -3.669 -7.750 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.166 -2.331 -7.731 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.459 -2.148 -6.013 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.977 -1.327 -9.407 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.079 0.147 -9.201 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.001 -0.794 -4.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.242 1.791 -7.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.315 1.041 -3.381 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.945 2.330 -4.719 1.00 0.00 H new ATOM 1136 N ARG A 75 9.708 -3.991 -4.500 1.00 0.00 N ATOM 1137 CA ARG A 75 10.249 -4.372 -3.201 1.00 0.00 C ATOM 1138 C ARG A 75 10.853 -5.761 -3.148 1.00 0.00 C ATOM 1139 O ARG A 75 11.485 -6.079 -2.148 1.00 0.00 O ATOM 1140 CB ARG A 75 9.174 -4.340 -2.068 1.00 0.00 C ATOM 1141 CG ARG A 75 8.713 -2.962 -1.558 1.00 0.00 C ATOM 1142 CD ARG A 75 8.384 -2.955 -0.050 1.00 0.00 C ATOM 1143 NE ARG A 75 9.476 -2.597 0.887 1.00 0.00 N ATOM 1144 CZ ARG A 75 10.002 -1.379 1.090 1.00 0.00 C ATOM 1145 NH1 ARG A 75 9.719 -0.371 0.298 1.00 0.00 N ATOM 1146 NH2 ARG A 75 10.878 -1.141 2.050 1.00 0.00 N ATOM 0 H ARG A 75 8.722 -3.736 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 75 11.027 -3.624 -3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.295 -4.877 -2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.566 -4.898 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.493 -2.228 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.831 -2.650 -2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.561 -2.259 0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.021 -3.947 0.220 1.00 0.00 H new ATOM 0 HE ARG A 75 9.871 -3.360 1.437 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.087 -0.505 -0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.131 0.546 0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.176 -1.896 2.667 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.256 -0.202 2.174 1.00 0.00 H new ATOM 1160 N ALA A 76 10.692 -6.564 -4.180 1.00 0.00 N ATOM 1161 CA ALA A 76 11.360 -7.854 -4.275 1.00 0.00 C ATOM 1162 C ALA A 76 12.545 -7.890 -5.205 1.00 0.00 C ATOM 1163 O ALA A 76 13.491 -8.638 -4.986 1.00 0.00 O ATOM 1164 CB ALA A 76 10.377 -8.953 -4.619 1.00 0.00 C ATOM 0 H ALA A 76 10.096 -6.345 -4.978 1.00 0.00 H new ATOM 0 HA ALA A 76 11.771 -8.028 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.904 -9.905 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.612 -9.013 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.906 -8.733 -5.577 1.00 0.00 H new ATOM 1170 N ALA A 77 12.510 -7.030 -6.201 1.00 0.00 N ATOM 1171 CA ALA A 77 13.524 -6.974 -7.243 1.00 0.00 C ATOM 1172 C ALA A 77 14.628 -6.030 -6.859 1.00 0.00 C ATOM 1173 O ALA A 77 15.815 -6.291 -7.028 1.00 0.00 O ATOM 1174 CB ALA A 77 12.895 -6.522 -8.564 1.00 0.00 C ATOM 0 H ALA A 77 11.768 -6.339 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 77 13.945 -7.972 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.662 -6.483 -9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.119 -7.228 -8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.456 -5.532 -8.438 1.00 0.00 H new ATOM 1180 N ASN A 78 14.192 -4.941 -6.258 1.00 0.00 N ATOM 1181 CA ASN A 78 15.000 -4.107 -5.426 1.00 0.00 C ATOM 1182 C ASN A 78 15.391 -4.824 -4.143 1.00 0.00 C ATOM 1183 O ASN A 78 16.342 -4.462 -3.458 1.00 0.00 O ATOM 1184 CB ASN A 78 14.141 -2.885 -5.141 1.00 0.00 C ATOM 1185 CG ASN A 78 14.968 -1.660 -4.722 1.00 0.00 C ATOM 1186 OD1 ASN A 78 14.712 -0.551 -5.155 1.00 0.00 O ATOM 1187 ND2 ASN A 78 15.955 -1.777 -3.849 1.00 0.00 N ATOM 0 H ASN A 78 13.231 -4.611 -6.346 1.00 0.00 H new ATOM 0 HA ASN A 78 15.939 -3.836 -5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.561 -2.639 -6.030 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.428 -3.124 -4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.478 -0.951 -3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 78 16.193 -2.693 -3.468 1.00 0.00 H new ATOM 1194 N GLY A 79 14.589 -5.822 -3.822 1.00 0.00 N ATOM 1195 CA GLY A 79 14.719 -6.657 -2.640 1.00 0.00 C ATOM 1196 C GLY A 79 14.536 -5.821 -1.382 1.00 0.00 C ATOM 1197 O GLY A 79 15.137 -6.143 -0.359 1.00 0.00 O ATOM 0 H GLY A 79 13.793 -6.085 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.977 -7.455 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.699 -7.134 -2.629 1.00 0.00 H new ATOM 1201 N LYS A 80 13.736 -4.741 -1.485 1.00 0.00 N ATOM 1202 CA LYS A 80 13.552 -3.712 -0.432 1.00 0.00 C ATOM 1203 C LYS A 80 13.681 -4.246 0.979 1.00 0.00 C ATOM 1204 O LYS A 80 14.483 -3.787 1.783 1.00 0.00 O ATOM 1205 CB LYS A 80 12.311 -2.864 -0.549 1.00 0.00 C ATOM 1206 CG LYS A 80 12.289 -2.237 -1.909 1.00 0.00 C ATOM 1207 CD LYS A 80 12.957 -1.022 -2.265 1.00 0.00 C ATOM 1208 CE LYS A 80 12.409 0.178 -1.577 1.00 0.00 C ATOM 1209 NZ LYS A 80 13.232 1.388 -1.788 1.00 0.00 N ATOM 0 H LYS A 80 13.185 -4.552 -2.322 1.00 0.00 H new ATOM 0 HA LYS A 80 14.394 -3.049 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.420 -3.474 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.304 -2.094 0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.664 -2.997 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.237 -2.082 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.017 -1.116 -2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.884 -0.878 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.397 0.366 -1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.336 -0.024 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.569 1.743 -0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.048 1.153 -2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.659 2.121 -2.253 1.00 0.00 H new ATOM 1223 N SER A 81 12.837 -5.236 1.210 1.00 0.00 N ATOM 1224 CA SER A 81 12.459 -5.812 2.455 1.00 0.00 C ATOM 1225 C SER A 81 11.740 -4.773 3.284 1.00 0.00 C ATOM 1226 O SER A 81 11.524 -3.631 2.883 1.00 0.00 O ATOM 1227 CB SER A 81 13.591 -6.555 3.065 1.00 0.00 C ATOM 1228 OG SER A 81 14.292 -7.369 2.136 1.00 0.00 O ATOM 0 H SER A 81 12.357 -5.694 0.435 1.00 0.00 H new ATOM 0 HA SER A 81 11.720 -6.605 2.342 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.286 -5.843 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.213 -7.181 3.873 1.00 0.00 H new ATOM 0 HG SER A 81 14.655 -6.809 1.419 1.00 0.00 H new ATOM 1234 N GLY A 82 11.213 -5.252 4.379 1.00 0.00 N ATOM 1235 CA GLY A 82 10.422 -4.458 5.286 1.00 0.00 C ATOM 1236 C GLY A 82 9.668 -5.340 6.229 1.00 0.00 C ATOM 1237 O GLY A 82 9.950 -5.363 7.421 1.00 0.00 O ATOM 0 H GLY A 82 11.322 -6.223 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.068 -3.783 5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.725 -3.837 4.723 1.00 0.00 H new ATOM 1241 N PHE A 83 8.712 -6.054 5.658 1.00 0.00 N ATOM 1242 CA PHE A 83 7.643 -6.568 6.434 1.00 0.00 C ATOM 1243 C PHE A 83 8.082 -7.663 7.385 1.00 0.00 C ATOM 1244 O PHE A 83 9.174 -8.223 7.457 1.00 0.00 O ATOM 1245 CB PHE A 83 6.422 -7.048 5.610 1.00 0.00 C ATOM 1246 CG PHE A 83 5.956 -6.235 4.454 1.00 0.00 C ATOM 1247 CD1 PHE A 83 4.948 -5.275 4.599 1.00 0.00 C ATOM 1248 CD2 PHE A 83 6.353 -6.626 3.184 1.00 0.00 C ATOM 1249 CE1 PHE A 83 4.425 -4.664 3.456 1.00 0.00 C ATOM 1250 CE2 PHE A 83 5.884 -5.961 2.053 1.00 0.00 C ATOM 1251 CZ PHE A 83 4.882 -4.976 2.155 1.00 0.00 C ATOM 0 H PHE A 83 8.672 -6.279 4.664 1.00 0.00 H new ATOM 0 HA PHE A 83 7.314 -5.706 7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.651 -8.046 5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.583 -7.150 6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.580 -5.010 5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.034 -7.456 3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.644 -3.927 3.571 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.295 -6.204 1.084 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.482 -4.483 1.281 1.00 0.00 H new ATOM 1261 N LYS A 84 7.000 -7.931 8.044 1.00 0.00 N ATOM 1262 CA LYS A 84 6.606 -8.513 9.246 1.00 0.00 C ATOM 1263 C LYS A 84 5.831 -9.776 8.932 1.00 0.00 C ATOM 1264 O LYS A 84 5.711 -10.232 7.796 1.00 0.00 O ATOM 1265 CB LYS A 84 5.959 -7.375 9.973 1.00 0.00 C ATOM 1266 CG LYS A 84 6.182 -7.595 11.468 1.00 0.00 C ATOM 1267 CD LYS A 84 5.405 -6.583 12.233 1.00 0.00 C ATOM 1268 CE LYS A 84 3.905 -6.777 11.992 1.00 0.00 C ATOM 1269 NZ LYS A 84 3.005 -6.134 12.955 1.00 0.00 N ATOM 0 H LYS A 84 6.138 -7.646 7.579 1.00 0.00 H new ATOM 0 HA LYS A 84 7.366 -8.909 9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.390 -6.425 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.894 -7.333 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.869 -8.600 11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.243 -7.512 11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.625 -6.673 13.297 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.703 -5.579 11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.667 -6.401 10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.694 -7.846 11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.064 -6.019 12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.928 -6.725 13.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.384 -5.201 13.214 1.00 0.00 H new ATOM 1283 N GLN A 85 5.282 -10.313 9.988 1.00 0.00 N ATOM 1284 CA GLN A 85 4.615 -11.606 10.065 1.00 0.00 C ATOM 1285 C GLN A 85 3.342 -11.553 10.873 1.00 0.00 C ATOM 1286 O GLN A 85 2.287 -11.964 10.396 1.00 0.00 O ATOM 1287 CB GLN A 85 5.529 -12.710 10.451 1.00 0.00 C ATOM 1288 CG GLN A 85 5.687 -13.885 9.479 1.00 0.00 C ATOM 1289 CD GLN A 85 4.579 -14.946 9.546 1.00 0.00 C ATOM 1290 OE1 GLN A 85 4.864 -16.136 9.546 1.00 0.00 O ATOM 1291 NE2 GLN A 85 3.303 -14.588 9.607 1.00 0.00 N ATOM 0 H GLN A 85 5.284 -9.832 10.887 1.00 0.00 H new ATOM 0 HA GLN A 85 4.301 -11.850 9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.517 -12.282 10.621 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.186 -13.110 11.405 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.730 -13.492 8.463 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.644 -14.370 9.673 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.050 -13.600 9.608 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.575 -15.301 9.653 1.00 0.00 H new ATOM 1300 N GLY A 86 3.499 -11.036 12.076 1.00 0.00 N ATOM 1301 CA GLY A 86 2.500 -10.464 12.950 1.00 0.00 C ATOM 1302 C GLY A 86 3.213 -9.392 13.762 1.00 0.00 C ATOM 1303 O GLY A 86 4.464 -9.401 13.731 1.00 0.00 O ATOM 1304 OXT GLY A 86 2.532 -8.485 14.278 1.00 0.00 O ATOM 0 H GLY A 86 4.423 -11.004 12.506 1.00 0.00 H new ATOM 0 HA2 GLY A 86 1.679 -10.036 12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.070 -11.225 13.601 1.00 0.00 H new