USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 HIS : no HD1:sc= -5.57! C(o=-5.6!,f=-9!) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= -0.011 USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.36 K(o=-0.29,f=-1.1) USER MOD Set 2.2: A 6 SER OG : rot 145:sc= 0.0717 USER MOD Set 2.3: A 8 SER OG : rot 180:sc= 0.00258 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 0.881 (180deg=0.405) USER MOD Single : A 10 TYR OH : rot 12:sc= 1.51 USER MOD Single : A 11 THR OG1 : rot 147:sc= 0.759 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -48:sc= 1.2 USER MOD Single : A 23 CYS SG : rot 70:sc= 0.189 USER MOD Single : A 24 ASN : amide:sc= 0.317 X(o=0.32,f=-0.16) USER MOD Single : A 27 THR OG1 : rot 160:sc= 0.369 USER MOD Single : A 28 SER OG : rot -172:sc= 0.419 USER MOD Single : A 29 SER OG : rot 2:sc= 0.614 USER MOD Single : A 35 LYS NZ :NH3+ -120:sc= -0.643 (180deg=-0.891) USER MOD Single : A 38 THR OG1 : rot 6:sc= 1.11 USER MOD Single : A 39 HIS : no HE2:sc= -3.9 K(o=-3.9,f=-5.4!) USER MOD Single : A 43 MET CE :methyl 149:sc= -1.42 (180deg=-3.04) USER MOD Single : A 44 THR OG1 : rot -7:sc= 0.775 USER MOD Single : A 50 SER OG : rot 77:sc= 1.33 USER MOD Single : A 54 TYR OH : rot -140:sc= -0.139 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 1.12 (180deg=-0.192!) USER MOD Single : A 63 SER OG : rot -59:sc= 1.68 USER MOD Single : A 65 SER OG : rot 180:sc= -1.07 USER MOD Single : A 69 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.63) USER MOD Single : A 70 THR OG1 : rot 41:sc= 0.504 USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= 0.793 (180deg=0.375) USER MOD Single : A 73 GLN : amide:sc= 0.623 K(o=0.62,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.437 K(o=-0.44,f=-4.1!) USER MOD Single : A 80 LYS NZ :NH3+ -121:sc= -1.43! (180deg=-4.01!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= 1.95 (180deg=1.07) USER MOD Single : A 85 GLN : amide:sc= 1.15 K(o=1.1,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -2.132 3.087 10.601 1.00 0.00 N ATOM 36 CA LEU A 3 -1.300 3.649 9.605 1.00 0.00 C ATOM 37 C LEU A 3 -0.059 2.829 9.631 1.00 0.00 C ATOM 38 O LEU A 3 0.032 1.886 8.850 1.00 0.00 O ATOM 39 CB LEU A 3 -1.103 5.153 9.832 1.00 0.00 C ATOM 40 CG LEU A 3 -2.125 5.965 9.017 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.066 7.458 9.355 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.904 5.896 7.504 1.00 0.00 C ATOM 0 HA LEU A 3 -1.731 3.612 8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.211 5.383 10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.091 5.440 9.545 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.079 5.512 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.803 7.996 8.758 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.283 7.600 10.414 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.070 7.842 9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.663 6.493 6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.915 6.286 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.976 4.860 7.173 1.00 0.00 H new ATOM 54 N LYS A 4 0.751 3.129 10.652 1.00 0.00 N ATOM 55 CA LYS A 4 2.117 2.704 10.946 1.00 0.00 C ATOM 56 C LYS A 4 3.016 3.892 10.707 1.00 0.00 C ATOM 57 O LYS A 4 2.564 5.036 10.666 1.00 0.00 O ATOM 58 CB LYS A 4 2.449 1.382 10.267 1.00 0.00 C ATOM 59 CG LYS A 4 1.451 0.268 10.694 1.00 0.00 C ATOM 60 CD LYS A 4 1.838 -0.407 11.995 1.00 0.00 C ATOM 61 CE LYS A 4 1.108 -1.709 12.306 1.00 0.00 C ATOM 62 NZ LYS A 4 -0.325 -1.732 11.950 1.00 0.00 N ATOM 0 H LYS A 4 0.417 3.757 11.383 1.00 0.00 H new ATOM 0 HA LYS A 4 2.274 2.432 11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.418 1.507 9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.465 1.083 10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.456 0.700 10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.393 -0.482 9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.909 -0.608 11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.661 0.292 12.813 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.609 -2.521 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.203 -1.914 13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.677 -2.710 11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.859 -1.143 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.450 -1.359 10.987 1.00 0.00 H new ATOM 76 N HIS A 5 4.301 3.634 10.848 1.00 0.00 N ATOM 77 CA HIS A 5 5.345 4.640 10.921 1.00 0.00 C ATOM 78 C HIS A 5 6.508 4.331 10.032 1.00 0.00 C ATOM 79 O HIS A 5 7.232 5.184 9.538 1.00 0.00 O ATOM 80 CB HIS A 5 5.790 4.827 12.360 1.00 0.00 C ATOM 81 CG HIS A 5 5.844 3.599 13.234 1.00 0.00 C ATOM 82 ND1 HIS A 5 4.860 3.148 14.090 1.00 0.00 N ATOM 83 CD2 HIS A 5 6.930 2.789 13.388 1.00 0.00 C ATOM 84 CE1 HIS A 5 5.357 2.087 14.751 1.00 0.00 C ATOM 85 NE2 HIS A 5 6.627 1.858 14.380 1.00 0.00 N ATOM 0 H HIS A 5 4.661 2.682 10.918 1.00 0.00 H new ATOM 0 HA HIS A 5 4.922 5.575 10.555 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.783 5.277 12.350 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.119 5.546 12.830 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.858 2.857 12.840 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.812 1.502 15.477 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.250 1.141 14.752 1.00 0.00 H new ATOM 93 N SER A 6 6.588 3.059 9.797 1.00 0.00 N ATOM 94 CA SER A 6 7.234 2.394 8.763 1.00 0.00 C ATOM 95 C SER A 6 6.286 1.439 8.107 1.00 0.00 C ATOM 96 O SER A 6 5.346 0.952 8.728 1.00 0.00 O ATOM 97 CB SER A 6 8.371 1.664 9.386 1.00 0.00 C ATOM 98 OG SER A 6 8.195 1.202 10.716 1.00 0.00 O ATOM 0 H SER A 6 6.133 2.396 10.424 1.00 0.00 H new ATOM 0 HA SER A 6 7.588 3.082 7.995 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.605 0.804 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.243 2.318 9.368 1.00 0.00 H new ATOM 0 HG SER A 6 8.665 0.350 10.831 1.00 0.00 H new ATOM 104 N ILE A 7 6.717 1.057 6.917 1.00 0.00 N ATOM 105 CA ILE A 7 6.294 -0.152 6.234 1.00 0.00 C ATOM 106 C ILE A 7 6.502 -1.380 7.122 1.00 0.00 C ATOM 107 O ILE A 7 5.872 -2.417 6.977 1.00 0.00 O ATOM 108 CB ILE A 7 7.090 -0.259 4.920 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.783 -1.609 4.268 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.614 -0.039 5.057 1.00 0.00 C ATOM 111 CD1 ILE A 7 7.152 -1.647 2.803 1.00 0.00 C ATOM 0 H ILE A 7 7.395 1.600 6.382 1.00 0.00 H new ATOM 0 HA ILE A 7 5.228 -0.108 6.011 1.00 0.00 H new ATOM 0 HB ILE A 7 6.760 0.564 4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.325 -2.394 4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.721 -1.827 4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.085 -0.135 4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.803 0.958 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.030 -0.785 5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.912 -2.628 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.590 -0.882 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.220 -1.458 2.692 1.00 0.00 H new ATOM 123 N SER A 8 7.413 -1.248 8.067 1.00 0.00 N ATOM 124 CA SER A 8 8.096 -2.306 8.722 1.00 0.00 C ATOM 125 C SER A 8 7.556 -2.550 10.097 1.00 0.00 C ATOM 126 O SER A 8 7.758 -3.642 10.630 1.00 0.00 O ATOM 127 CB SER A 8 9.543 -1.907 8.690 1.00 0.00 C ATOM 128 OG SER A 8 10.060 -1.314 9.871 1.00 0.00 O ATOM 0 H SER A 8 7.702 -0.331 8.408 1.00 0.00 H new ATOM 0 HA SER A 8 7.958 -3.268 8.228 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.137 -2.793 8.464 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.687 -1.208 7.866 1.00 0.00 H new ATOM 0 HG SER A 8 11.007 -1.096 9.740 1.00 0.00 H new ATOM 134 N ASP A 9 6.837 -1.561 10.643 1.00 0.00 N ATOM 135 CA ASP A 9 5.950 -1.926 11.727 1.00 0.00 C ATOM 136 C ASP A 9 4.740 -2.708 11.201 1.00 0.00 C ATOM 137 O ASP A 9 3.849 -3.040 11.984 1.00 0.00 O ATOM 138 CB ASP A 9 5.546 -0.749 12.623 1.00 0.00 C ATOM 139 CG ASP A 9 4.859 -1.260 13.911 1.00 0.00 C ATOM 140 OD1 ASP A 9 5.270 -2.332 14.433 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.868 -0.627 14.339 1.00 0.00 O ATOM 0 H ASP A 9 6.852 -0.578 10.372 1.00 0.00 H new ATOM 0 HA ASP A 9 6.518 -2.585 12.383 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.427 -0.162 12.882 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.870 -0.087 12.081 1.00 0.00 H new ATOM 146 N TYR A 10 4.667 -3.049 9.904 1.00 0.00 N ATOM 147 CA TYR A 10 3.550 -3.865 9.436 1.00 0.00 C ATOM 148 C TYR A 10 3.930 -4.951 8.437 1.00 0.00 C ATOM 149 O TYR A 10 5.028 -4.946 7.890 1.00 0.00 O ATOM 150 CB TYR A 10 2.425 -2.950 9.006 1.00 0.00 C ATOM 151 CG TYR A 10 2.594 -2.148 7.752 1.00 0.00 C ATOM 152 CD1 TYR A 10 2.207 -2.677 6.520 1.00 0.00 C ATOM 153 CD2 TYR A 10 3.026 -0.823 7.827 1.00 0.00 C ATOM 154 CE1 TYR A 10 2.230 -1.870 5.386 1.00 0.00 C ATOM 155 CE2 TYR A 10 2.991 0.005 6.698 1.00 0.00 C ATOM 156 CZ TYR A 10 2.621 -0.525 5.452 1.00 0.00 C ATOM 157 OH TYR A 10 2.711 0.223 4.322 1.00 0.00 O ATOM 0 H TYR A 10 5.344 -2.782 9.189 1.00 0.00 H new ATOM 0 HA TYR A 10 3.187 -4.470 10.267 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.528 -3.559 8.891 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.235 -2.253 9.822 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.891 -3.707 6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.391 -0.432 8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.940 -2.289 4.434 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.248 1.050 6.786 1.00 0.00 H new ATOM 0 HH TYR A 10 2.293 -0.258 3.577 1.00 0.00 H new ATOM 167 N THR A 11 3.102 -5.991 8.312 1.00 0.00 N ATOM 168 CA THR A 11 3.402 -7.181 7.506 1.00 0.00 C ATOM 169 C THR A 11 2.823 -6.980 6.101 1.00 0.00 C ATOM 170 O THR A 11 2.133 -6.000 5.841 1.00 0.00 O ATOM 171 CB THR A 11 2.924 -8.484 8.202 1.00 0.00 C ATOM 172 OG1 THR A 11 2.003 -9.284 7.486 1.00 0.00 O ATOM 173 CG2 THR A 11 2.362 -8.409 9.628 1.00 0.00 C ATOM 0 H THR A 11 2.193 -6.033 8.773 1.00 0.00 H new ATOM 0 HA THR A 11 4.480 -7.305 7.408 1.00 0.00 H new ATOM 0 HB THR A 11 3.916 -8.935 8.237 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.158 -10.229 7.695 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.077 -9.407 9.960 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.122 -8.007 10.298 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.487 -7.759 9.641 1.00 0.00 H new ATOM 181 N GLU A 12 3.016 -7.921 5.180 1.00 0.00 N ATOM 182 CA GLU A 12 2.327 -7.855 3.899 1.00 0.00 C ATOM 183 C GLU A 12 0.856 -8.195 3.944 1.00 0.00 C ATOM 184 O GLU A 12 0.167 -7.834 3.002 1.00 0.00 O ATOM 185 CB GLU A 12 3.004 -8.769 2.884 1.00 0.00 C ATOM 186 CG GLU A 12 3.856 -7.853 2.030 1.00 0.00 C ATOM 187 CD GLU A 12 4.901 -8.648 1.225 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.491 -9.694 0.678 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.055 -8.189 1.046 1.00 0.00 O ATOM 0 H GLU A 12 3.634 -8.725 5.295 1.00 0.00 H new ATOM 0 HA GLU A 12 2.395 -6.807 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.613 -9.525 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.268 -9.299 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.218 -7.292 1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.360 -7.125 2.666 1.00 0.00 H new ATOM 196 N ALA A 13 0.364 -8.859 4.984 1.00 0.00 N ATOM 197 CA ALA A 13 -1.085 -9.035 5.122 1.00 0.00 C ATOM 198 C ALA A 13 -1.667 -7.736 5.634 1.00 0.00 C ATOM 199 O ALA A 13 -2.694 -7.275 5.155 1.00 0.00 O ATOM 200 CB ALA A 13 -1.395 -10.203 6.063 1.00 0.00 C ATOM 0 H ALA A 13 0.925 -9.276 5.727 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.535 -9.277 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.475 -10.320 6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.964 -11.119 5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.967 -10.002 7.045 1.00 0.00 H new ATOM 206 N GLU A 14 -0.929 -7.115 6.538 1.00 0.00 N ATOM 207 CA GLU A 14 -1.180 -5.796 7.050 1.00 0.00 C ATOM 208 C GLU A 14 -1.215 -4.765 5.921 1.00 0.00 C ATOM 209 O GLU A 14 -2.150 -3.983 5.839 1.00 0.00 O ATOM 210 CB GLU A 14 -0.060 -5.520 8.054 1.00 0.00 C ATOM 211 CG GLU A 14 -0.637 -4.943 9.343 1.00 0.00 C ATOM 212 CD GLU A 14 0.240 -5.034 10.596 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.298 -5.697 10.560 1.00 0.00 O ATOM 214 OE2 GLU A 14 -0.126 -4.365 11.590 1.00 0.00 O ATOM 0 H GLU A 14 -0.101 -7.545 6.949 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.155 -5.726 7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.480 -6.442 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.659 -4.822 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.873 -3.893 9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.579 -5.451 9.550 1.00 0.00 H new ATOM 221 N PHE A 15 -0.236 -4.789 5.014 1.00 0.00 N ATOM 222 CA PHE A 15 -0.174 -3.884 3.873 1.00 0.00 C ATOM 223 C PHE A 15 -1.288 -4.181 2.924 1.00 0.00 C ATOM 224 O PHE A 15 -1.835 -3.282 2.299 1.00 0.00 O ATOM 225 CB PHE A 15 1.090 -4.113 3.033 1.00 0.00 C ATOM 226 CG PHE A 15 1.418 -3.012 2.023 1.00 0.00 C ATOM 227 CD1 PHE A 15 1.139 -1.648 2.266 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.092 -3.354 0.841 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.686 -0.649 1.446 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.599 -2.360 -0.009 1.00 0.00 C ATOM 231 CZ PHE A 15 2.457 -1.008 0.334 1.00 0.00 C ATOM 0 H PHE A 15 0.543 -5.446 5.055 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.210 -2.877 4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.938 -4.227 3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.982 -5.055 2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.499 -1.372 3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.222 -4.395 0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.513 0.393 1.672 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.098 -2.636 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.941 -0.245 -0.258 1.00 0.00 H new ATOM 241 N LEU A 16 -1.570 -5.467 2.760 1.00 0.00 N ATOM 242 CA LEU A 16 -2.544 -5.826 1.768 1.00 0.00 C ATOM 243 C LEU A 16 -3.900 -5.354 2.205 1.00 0.00 C ATOM 244 O LEU A 16 -4.687 -4.854 1.419 1.00 0.00 O ATOM 245 CB LEU A 16 -2.461 -7.317 1.563 1.00 0.00 C ATOM 246 CG LEU A 16 -3.358 -7.900 0.478 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.511 -7.063 -0.782 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.692 -9.207 -0.015 1.00 0.00 C ATOM 0 H LEU A 16 -1.154 -6.239 3.280 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.351 -5.345 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.428 -7.573 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.703 -7.806 2.507 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.339 -7.995 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.170 -7.576 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.938 -6.094 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.534 -6.918 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.306 -9.656 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.703 -8.983 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.597 -9.904 0.818 1.00 0.00 H new ATOM 260 N GLN A 17 -4.123 -5.418 3.499 1.00 0.00 N ATOM 261 CA GLN A 17 -5.260 -4.916 4.135 1.00 0.00 C ATOM 262 C GLN A 17 -5.259 -3.394 4.070 1.00 0.00 C ATOM 263 O GLN A 17 -6.307 -2.789 3.963 1.00 0.00 O ATOM 264 CB GLN A 17 -5.291 -5.432 5.581 1.00 0.00 C ATOM 265 CG GLN A 17 -6.334 -4.661 6.373 1.00 0.00 C ATOM 266 CD GLN A 17 -6.702 -5.226 7.741 1.00 0.00 C ATOM 267 OE1 GLN A 17 -6.202 -6.251 8.193 1.00 0.00 O ATOM 268 NE2 GLN A 17 -7.605 -4.552 8.435 1.00 0.00 N ATOM 0 H GLN A 17 -3.464 -5.850 4.146 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.163 -5.261 3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.524 -6.497 5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.310 -5.315 6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.974 -3.641 6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.242 -4.600 5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.014 -3.701 8.049 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.892 -4.884 9.356 1.00 0.00 H new ATOM 277 N LEU A 18 -4.099 -2.763 4.164 1.00 0.00 N ATOM 278 CA LEU A 18 -3.986 -1.318 4.214 1.00 0.00 C ATOM 279 C LEU A 18 -4.490 -0.783 2.859 1.00 0.00 C ATOM 280 O LEU A 18 -5.420 0.026 2.746 1.00 0.00 O ATOM 281 CB LEU A 18 -2.504 -0.976 4.500 1.00 0.00 C ATOM 282 CG LEU A 18 -2.213 0.499 4.774 1.00 0.00 C ATOM 283 CD1 LEU A 18 -2.514 0.882 6.227 1.00 0.00 C ATOM 284 CD2 LEU A 18 -0.771 0.864 4.420 1.00 0.00 C ATOM 0 H LEU A 18 -3.202 -3.247 4.208 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.583 -0.856 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.173 -1.560 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.904 -1.295 3.648 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.880 1.071 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.293 1.939 6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.567 0.697 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.897 0.283 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.601 1.920 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.086 0.262 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.596 0.670 3.362 1.00 0.00 H new ATOM 296 N VAL A 19 -3.950 -1.398 1.808 1.00 0.00 N ATOM 297 CA VAL A 19 -4.339 -1.165 0.413 1.00 0.00 C ATOM 298 C VAL A 19 -5.864 -1.410 0.360 1.00 0.00 C ATOM 299 O VAL A 19 -6.604 -0.596 -0.178 1.00 0.00 O ATOM 300 CB VAL A 19 -3.570 -2.178 -0.400 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.241 -2.277 -1.763 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.135 -1.631 -0.472 1.00 0.00 C ATOM 0 H VAL A 19 -3.209 -2.092 1.903 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.125 -0.167 0.031 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.552 -3.183 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.709 -3.003 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.275 -2.597 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.219 -1.302 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.513 -2.315 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.142 -0.653 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.731 -1.536 0.536 1.00 0.00 H new ATOM 312 N THR A 20 -6.350 -2.517 0.943 1.00 0.00 N ATOM 313 CA THR A 20 -7.747 -2.920 0.876 1.00 0.00 C ATOM 314 C THR A 20 -8.637 -1.984 1.700 1.00 0.00 C ATOM 315 O THR A 20 -9.807 -1.903 1.376 1.00 0.00 O ATOM 316 CB THR A 20 -7.914 -4.421 1.238 1.00 0.00 C ATOM 317 OG1 THR A 20 -8.691 -5.063 0.245 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.542 -4.772 2.588 1.00 0.00 C ATOM 0 H THR A 20 -5.768 -3.160 1.480 1.00 0.00 H new ATOM 0 HA THR A 20 -8.089 -2.821 -0.154 1.00 0.00 H new ATOM 0 HB THR A 20 -6.881 -4.764 1.301 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.795 -6.011 0.473 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.591 -5.856 2.696 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.935 -4.355 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.548 -4.356 2.640 1.00 0.00 H new ATOM 326 N THR A 21 -8.134 -1.259 2.701 1.00 0.00 N ATOM 327 CA THR A 21 -8.786 -0.186 3.444 1.00 0.00 C ATOM 328 C THR A 21 -8.998 1.009 2.508 1.00 0.00 C ATOM 329 O THR A 21 -9.964 1.749 2.670 1.00 0.00 O ATOM 330 CB THR A 21 -7.876 0.156 4.650 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.247 -0.529 5.838 1.00 0.00 O ATOM 332 CG2 THR A 21 -7.637 1.660 4.881 1.00 0.00 C ATOM 0 H THR A 21 -7.185 -1.422 3.037 1.00 0.00 H new ATOM 0 HA THR A 21 -9.768 -0.476 3.818 1.00 0.00 H new ATOM 0 HB THR A 21 -6.899 -0.229 4.357 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.214 -0.448 5.974 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.989 1.797 5.747 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.162 2.092 4.000 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.591 2.157 5.060 1.00 0.00 H new ATOM 340 N ILE A 22 -8.120 1.207 1.524 1.00 0.00 N ATOM 341 CA ILE A 22 -8.156 2.327 0.582 1.00 0.00 C ATOM 342 C ILE A 22 -9.073 1.951 -0.567 1.00 0.00 C ATOM 343 O ILE A 22 -10.020 2.674 -0.861 1.00 0.00 O ATOM 344 CB ILE A 22 -6.768 2.704 0.025 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.632 2.415 1.012 1.00 0.00 C ATOM 346 CG2 ILE A 22 -6.813 4.176 -0.384 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.388 3.256 0.851 1.00 0.00 C ATOM 0 H ILE A 22 -7.339 0.572 1.355 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.520 3.201 1.122 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.547 2.081 -0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.012 2.553 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.353 1.366 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.843 4.473 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.578 4.318 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.050 4.788 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.653 2.965 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.971 3.102 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.641 4.308 0.980 1.00 0.00 H new ATOM 359 N CYS A 23 -8.861 0.759 -1.133 1.00 0.00 N ATOM 360 CA CYS A 23 -9.840 0.114 -1.981 1.00 0.00 C ATOM 361 C CYS A 23 -11.147 -0.130 -1.212 1.00 0.00 C ATOM 362 O CYS A 23 -12.108 -0.537 -1.864 1.00 0.00 O ATOM 363 CB CYS A 23 -9.291 -1.184 -2.615 1.00 0.00 C ATOM 364 SG CYS A 23 -7.633 -0.938 -3.317 1.00 0.00 S ATOM 0 H CYS A 23 -8.002 0.223 -1.010 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.061 0.790 -2.807 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.254 -1.970 -1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.971 -1.523 -3.397 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.777 -0.760 -2.355 1.00 0.00 H new ATOM 370 N ASN A 24 -11.206 0.115 0.117 1.00 0.00 N ATOM 371 CA ASN A 24 -12.509 0.054 0.827 1.00 0.00 C ATOM 372 C ASN A 24 -13.056 1.407 1.306 1.00 0.00 C ATOM 373 O ASN A 24 -14.256 1.486 1.555 1.00 0.00 O ATOM 374 CB ASN A 24 -12.534 -1.020 1.934 1.00 0.00 C ATOM 375 CG ASN A 24 -13.926 -1.251 2.526 1.00 0.00 C ATOM 376 OD1 ASN A 24 -14.856 -1.602 1.806 1.00 0.00 O ATOM 377 ND2 ASN A 24 -14.115 -1.160 3.835 1.00 0.00 N ATOM 0 H ASN A 24 -10.404 0.348 0.702 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.214 -0.261 0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.160 -1.959 1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -11.853 -0.725 2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.027 -1.381 4.235 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.349 -0.869 4.442 1.00 0.00 H new ATOM 384 N ALA A 25 -12.250 2.481 1.407 1.00 0.00 N ATOM 385 CA ALA A 25 -12.681 3.779 1.964 1.00 0.00 C ATOM 386 C ALA A 25 -13.276 3.599 3.364 1.00 0.00 C ATOM 387 O ALA A 25 -14.073 4.399 3.843 1.00 0.00 O ATOM 388 CB ALA A 25 -13.619 4.480 0.959 1.00 0.00 C ATOM 0 H ALA A 25 -11.276 2.473 1.103 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.824 4.438 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.939 5.439 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.089 4.644 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.492 3.853 0.778 1.00 0.00 H new ATOM 394 N ASP A 26 -12.709 2.612 4.051 1.00 0.00 N ATOM 395 CA ASP A 26 -12.822 2.023 5.396 1.00 0.00 C ATOM 396 C ASP A 26 -12.585 2.989 6.561 1.00 0.00 C ATOM 397 O ASP A 26 -12.434 2.631 7.726 1.00 0.00 O ATOM 398 CB ASP A 26 -11.724 0.988 5.351 1.00 0.00 C ATOM 399 CG ASP A 26 -11.787 -0.139 6.364 1.00 0.00 C ATOM 400 OD1 ASP A 26 -12.836 -0.820 6.372 1.00 0.00 O ATOM 401 OD2 ASP A 26 -10.718 -0.431 6.944 1.00 0.00 O ATOM 0 H ASP A 26 -11.990 2.084 3.557 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.832 1.660 5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.718 0.546 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.771 1.502 5.477 1.00 0.00 H new ATOM 406 N THR A 27 -12.492 4.241 6.167 1.00 0.00 N ATOM 407 CA THR A 27 -11.874 5.363 6.834 1.00 0.00 C ATOM 408 C THR A 27 -12.842 6.470 7.250 1.00 0.00 C ATOM 409 O THR A 27 -14.061 6.382 7.064 1.00 0.00 O ATOM 410 CB THR A 27 -10.729 5.851 5.926 1.00 0.00 C ATOM 411 OG1 THR A 27 -11.233 6.720 4.929 1.00 0.00 O ATOM 412 CG2 THR A 27 -9.927 4.774 5.190 1.00 0.00 C ATOM 0 H THR A 27 -12.892 4.526 5.273 1.00 0.00 H new ATOM 0 HA THR A 27 -11.481 5.036 7.797 1.00 0.00 H new ATOM 0 HB THR A 27 -10.049 6.331 6.630 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.502 7.266 4.571 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.152 5.246 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.464 4.106 5.916 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.593 4.202 4.544 1.00 0.00 H new ATOM 420 N SER A 28 -12.259 7.576 7.720 1.00 0.00 N ATOM 421 CA SER A 28 -12.878 8.883 7.867 1.00 0.00 C ATOM 422 C SER A 28 -13.700 9.317 6.670 1.00 0.00 C ATOM 423 O SER A 28 -14.553 10.191 6.813 1.00 0.00 O ATOM 424 CB SER A 28 -11.829 9.904 8.245 1.00 0.00 C ATOM 425 OG SER A 28 -10.772 9.993 7.332 1.00 0.00 O ATOM 0 H SER A 28 -11.285 7.576 8.024 1.00 0.00 H new ATOM 0 HA SER A 28 -13.606 8.804 8.675 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.303 10.882 8.335 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.428 9.653 9.227 1.00 0.00 H new ATOM 0 HG SER A 28 -10.071 10.571 7.699 1.00 0.00 H new ATOM 431 N SER A 29 -13.381 8.718 5.522 1.00 0.00 N ATOM 432 CA SER A 29 -14.219 8.560 4.330 1.00 0.00 C ATOM 433 C SER A 29 -13.860 9.338 3.093 1.00 0.00 C ATOM 434 O SER A 29 -14.442 9.114 2.035 1.00 0.00 O ATOM 435 CB SER A 29 -15.669 8.690 4.596 1.00 0.00 C ATOM 436 OG SER A 29 -16.163 7.860 5.646 1.00 0.00 O ATOM 0 H SER A 29 -12.461 8.299 5.390 1.00 0.00 H new ATOM 0 HA SER A 29 -13.973 7.527 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.887 9.730 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.214 8.457 3.681 1.00 0.00 H new ATOM 0 HG SER A 29 -15.420 7.359 6.044 1.00 0.00 H new ATOM 442 N GLU A 30 -12.842 10.169 3.207 1.00 0.00 N ATOM 443 CA GLU A 30 -12.172 10.659 2.012 1.00 0.00 C ATOM 444 C GLU A 30 -10.718 11.048 2.270 1.00 0.00 C ATOM 445 O GLU A 30 -9.900 11.271 1.385 1.00 0.00 O ATOM 446 CB GLU A 30 -12.993 11.861 1.477 1.00 0.00 C ATOM 447 CG GLU A 30 -12.536 12.522 0.166 1.00 0.00 C ATOM 448 CD GLU A 30 -13.427 13.725 -0.188 1.00 0.00 C ATOM 449 OE1 GLU A 30 -13.327 14.753 0.523 1.00 0.00 O ATOM 450 OE2 GLU A 30 -14.203 13.621 -1.165 1.00 0.00 O ATOM 0 H GLU A 30 -12.466 10.514 4.090 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.129 9.862 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.022 11.529 1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.005 12.628 2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.500 12.848 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.567 11.792 -0.643 1.00 0.00 H new ATOM 457 N GLU A 31 -10.356 10.959 3.531 1.00 0.00 N ATOM 458 CA GLU A 31 -9.247 11.673 4.098 1.00 0.00 C ATOM 459 C GLU A 31 -8.075 10.859 4.510 1.00 0.00 C ATOM 460 O GLU A 31 -6.993 10.925 3.947 1.00 0.00 O ATOM 461 CB GLU A 31 -9.918 12.359 5.207 1.00 0.00 C ATOM 462 CG GLU A 31 -9.196 13.334 6.107 1.00 0.00 C ATOM 463 CD GLU A 31 -8.317 12.629 7.153 1.00 0.00 C ATOM 464 OE1 GLU A 31 -8.837 11.771 7.908 1.00 0.00 O ATOM 465 OE2 GLU A 31 -7.086 12.850 7.177 1.00 0.00 O ATOM 0 H GLU A 31 -10.843 10.369 4.205 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.750 12.324 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.763 12.897 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.329 11.583 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.575 13.993 5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.926 13.963 6.615 1.00 0.00 H new ATOM 472 N GLU A 32 -8.389 10.030 5.479 1.00 0.00 N ATOM 473 CA GLU A 32 -7.662 8.849 5.794 1.00 0.00 C ATOM 474 C GLU A 32 -7.388 8.145 4.497 1.00 0.00 C ATOM 475 O GLU A 32 -6.301 7.660 4.346 1.00 0.00 O ATOM 476 CB GLU A 32 -8.447 7.964 6.686 1.00 0.00 C ATOM 477 CG GLU A 32 -8.232 8.201 8.161 1.00 0.00 C ATOM 478 CD GLU A 32 -9.040 7.445 9.213 1.00 0.00 C ATOM 479 OE1 GLU A 32 -9.920 6.637 8.861 1.00 0.00 O ATOM 480 OE2 GLU A 32 -8.738 7.672 10.405 1.00 0.00 O ATOM 0 H GLU A 32 -9.194 10.178 6.087 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.738 9.103 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.506 8.093 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.197 6.928 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.180 8.001 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.395 9.264 8.339 1.00 0.00 H new ATOM 487 N LEU A 33 -8.311 8.155 3.547 1.00 0.00 N ATOM 488 CA LEU A 33 -8.117 7.591 2.237 1.00 0.00 C ATOM 489 C LEU A 33 -6.932 8.194 1.511 1.00 0.00 C ATOM 490 O LEU A 33 -5.982 7.481 1.230 1.00 0.00 O ATOM 491 CB LEU A 33 -9.393 7.820 1.445 1.00 0.00 C ATOM 492 CG LEU A 33 -10.299 6.638 1.751 1.00 0.00 C ATOM 493 CD1 LEU A 33 -11.717 7.166 1.904 1.00 0.00 C ATOM 494 CD2 LEU A 33 -10.077 5.657 0.593 1.00 0.00 C ATOM 0 H LEU A 33 -9.235 8.567 3.678 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.899 6.528 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.867 8.759 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.183 7.883 0.377 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.090 6.110 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.391 6.339 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.750 7.889 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.027 7.650 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.698 4.773 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.347 6.137 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.028 5.362 0.562 1.00 0.00 H new ATOM 506 N VAL A 34 -6.965 9.496 1.236 1.00 0.00 N ATOM 507 CA VAL A 34 -5.864 10.252 0.634 1.00 0.00 C ATOM 508 C VAL A 34 -4.575 10.091 1.446 1.00 0.00 C ATOM 509 O VAL A 34 -3.465 10.139 0.925 1.00 0.00 O ATOM 510 CB VAL A 34 -6.307 11.701 0.478 1.00 0.00 C ATOM 511 CG1 VAL A 34 -5.190 12.740 0.293 1.00 0.00 C ATOM 512 CG2 VAL A 34 -7.295 11.833 -0.686 1.00 0.00 C ATOM 0 H VAL A 34 -7.783 10.074 1.431 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.627 9.862 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.768 11.934 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.629 13.733 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.529 12.721 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.619 12.504 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.603 12.874 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.816 11.507 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.170 11.213 -0.493 1.00 0.00 H new ATOM 522 N LYS A 35 -4.714 9.860 2.741 1.00 0.00 N ATOM 523 CA LYS A 35 -3.624 9.748 3.670 1.00 0.00 C ATOM 524 C LYS A 35 -3.075 8.338 3.670 1.00 0.00 C ATOM 525 O LYS A 35 -1.878 8.198 3.852 1.00 0.00 O ATOM 526 CB LYS A 35 -4.198 10.178 5.003 1.00 0.00 C ATOM 527 CG LYS A 35 -3.220 9.939 6.126 1.00 0.00 C ATOM 528 CD LYS A 35 -3.791 10.546 7.398 1.00 0.00 C ATOM 529 CE LYS A 35 -4.968 9.790 8.034 1.00 0.00 C ATOM 530 NZ LYS A 35 -6.102 10.688 8.381 1.00 0.00 N ATOM 0 H LYS A 35 -5.627 9.742 3.181 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.771 10.375 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.459 11.236 4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.120 9.629 5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.049 8.871 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.255 10.389 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.990 10.618 8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.114 11.564 7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.316 9.021 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.624 9.280 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.283 10.639 9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.864 11.665 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.953 10.388 7.864 1.00 0.00 H new ATOM 544 N LEU A 36 -3.892 7.304 3.485 1.00 0.00 N ATOM 545 CA LEU A 36 -3.533 5.921 3.385 1.00 0.00 C ATOM 546 C LEU A 36 -2.930 5.744 2.012 1.00 0.00 C ATOM 547 O LEU A 36 -1.996 4.962 1.873 1.00 0.00 O ATOM 548 CB LEU A 36 -4.834 5.124 3.659 1.00 0.00 C ATOM 549 CG LEU A 36 -5.011 5.104 5.188 1.00 0.00 C ATOM 550 CD1 LEU A 36 -6.440 4.918 5.640 1.00 0.00 C ATOM 551 CD2 LEU A 36 -4.174 4.019 5.859 1.00 0.00 C ATOM 0 H LEU A 36 -4.899 7.439 3.396 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.790 5.562 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.689 5.596 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.761 4.111 3.262 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.671 6.093 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.480 4.915 6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.052 5.735 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.821 3.970 5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.336 4.049 6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.468 3.042 5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.119 4.190 5.646 1.00 0.00 H new ATOM 563 N VAL A 37 -3.417 6.523 1.036 1.00 0.00 N ATOM 564 CA VAL A 37 -2.842 6.596 -0.288 1.00 0.00 C ATOM 565 C VAL A 37 -1.380 6.988 -0.083 1.00 0.00 C ATOM 566 O VAL A 37 -0.484 6.232 -0.425 1.00 0.00 O ATOM 567 CB VAL A 37 -3.657 7.575 -1.178 1.00 0.00 C ATOM 568 CG1 VAL A 37 -2.875 8.337 -2.254 1.00 0.00 C ATOM 569 CG2 VAL A 37 -4.836 6.871 -1.853 1.00 0.00 C ATOM 0 H VAL A 37 -4.233 7.123 1.159 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.881 5.650 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.990 8.323 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.554 8.986 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.100 8.941 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.414 7.627 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.383 7.586 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.465 6.062 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.501 6.463 -1.091 1.00 0.00 H new ATOM 579 N THR A 38 -1.153 8.112 0.587 1.00 0.00 N ATOM 580 CA THR A 38 0.148 8.726 0.765 1.00 0.00 C ATOM 581 C THR A 38 1.022 7.893 1.682 1.00 0.00 C ATOM 582 O THR A 38 2.199 7.725 1.414 1.00 0.00 O ATOM 583 CB THR A 38 0.010 10.189 1.121 1.00 0.00 C ATOM 584 OG1 THR A 38 0.231 11.061 0.025 1.00 0.00 O ATOM 585 CG2 THR A 38 0.814 10.688 2.327 1.00 0.00 C ATOM 0 H THR A 38 -1.903 8.637 1.037 1.00 0.00 H new ATOM 0 HA THR A 38 0.691 8.733 -0.180 1.00 0.00 H new ATOM 0 HB THR A 38 -1.037 10.226 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.339 10.535 -0.795 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.626 11.752 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.511 10.139 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.877 10.529 2.147 1.00 0.00 H new ATOM 593 N HIS A 39 0.457 7.303 2.734 1.00 0.00 N ATOM 594 CA HIS A 39 1.138 6.309 3.521 1.00 0.00 C ATOM 595 C HIS A 39 1.613 5.165 2.642 1.00 0.00 C ATOM 596 O HIS A 39 2.673 4.647 2.935 1.00 0.00 O ATOM 597 CB HIS A 39 0.219 5.819 4.627 1.00 0.00 C ATOM 598 CG HIS A 39 0.937 5.308 5.836 1.00 0.00 C ATOM 599 ND1 HIS A 39 1.771 6.071 6.619 1.00 0.00 N ATOM 600 CD2 HIS A 39 0.818 4.067 6.402 1.00 0.00 C ATOM 601 CE1 HIS A 39 2.182 5.297 7.629 1.00 0.00 C ATOM 602 NE2 HIS A 39 1.633 4.074 7.544 1.00 0.00 N ATOM 0 H HIS A 39 -0.489 7.510 3.055 1.00 0.00 H new ATOM 0 HA HIS A 39 2.021 6.753 3.980 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.439 6.635 4.926 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.416 5.026 4.232 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.028 7.045 6.459 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.216 3.246 6.041 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.862 5.612 8.407 1.00 0.00 H new ATOM 610 N PHE A 40 0.921 4.779 1.565 1.00 0.00 N ATOM 611 CA PHE A 40 1.504 3.778 0.668 1.00 0.00 C ATOM 612 C PHE A 40 2.730 4.382 -0.015 1.00 0.00 C ATOM 613 O PHE A 40 3.823 3.827 0.082 1.00 0.00 O ATOM 614 CB PHE A 40 0.490 3.255 -0.353 1.00 0.00 C ATOM 615 CG PHE A 40 0.953 2.040 -1.134 1.00 0.00 C ATOM 616 CD1 PHE A 40 2.049 2.109 -2.019 1.00 0.00 C ATOM 617 CD2 PHE A 40 0.247 0.834 -1.008 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.375 0.999 -2.811 1.00 0.00 C ATOM 619 CE2 PHE A 40 0.546 -0.253 -1.852 1.00 0.00 C ATOM 620 CZ PHE A 40 1.581 -0.156 -2.780 1.00 0.00 C ATOM 0 H PHE A 40 -0.001 5.126 1.301 1.00 0.00 H new ATOM 0 HA PHE A 40 1.807 2.912 1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.435 3.006 0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.255 4.055 -1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.635 3.014 -2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.528 0.739 -0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.245 1.034 -3.450 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.029 -1.165 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.770 -0.965 -3.470 1.00 0.00 H new ATOM 630 N GLU A 41 2.523 5.497 -0.715 1.00 0.00 N ATOM 631 CA GLU A 41 3.520 6.304 -1.420 1.00 0.00 C ATOM 632 C GLU A 41 4.799 6.507 -0.602 1.00 0.00 C ATOM 633 O GLU A 41 5.904 6.482 -1.143 1.00 0.00 O ATOM 634 CB GLU A 41 2.956 7.613 -1.944 1.00 0.00 C ATOM 635 CG GLU A 41 1.624 7.559 -2.699 1.00 0.00 C ATOM 636 CD GLU A 41 1.138 8.941 -3.154 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.629 9.704 -2.295 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.254 9.208 -4.371 1.00 0.00 O ATOM 0 H GLU A 41 1.586 5.889 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 41 3.805 5.724 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.836 8.290 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.699 8.058 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.732 6.913 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.867 7.106 -2.058 1.00 0.00 H new ATOM 645 N GLU A 42 4.628 6.649 0.707 1.00 0.00 N ATOM 646 CA GLU A 42 5.633 6.908 1.709 1.00 0.00 C ATOM 647 C GLU A 42 6.366 5.606 2.000 1.00 0.00 C ATOM 648 O GLU A 42 7.582 5.457 1.861 1.00 0.00 O ATOM 649 CB GLU A 42 4.957 7.519 2.908 1.00 0.00 C ATOM 650 CG GLU A 42 5.659 7.703 4.256 1.00 0.00 C ATOM 651 CD GLU A 42 6.914 8.588 4.269 1.00 0.00 C ATOM 652 OE1 GLU A 42 7.057 9.446 3.371 1.00 0.00 O ATOM 653 OE2 GLU A 42 7.696 8.439 5.238 1.00 0.00 O ATOM 0 H GLU A 42 3.699 6.578 1.121 1.00 0.00 H new ATOM 0 HA GLU A 42 6.387 7.622 1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.614 8.507 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.068 6.919 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.940 8.124 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.934 6.718 4.633 1.00 0.00 H new ATOM 660 N MET A 43 5.557 4.622 2.381 1.00 0.00 N ATOM 661 CA MET A 43 5.977 3.466 3.114 1.00 0.00 C ATOM 662 C MET A 43 7.002 2.632 2.391 1.00 0.00 C ATOM 663 O MET A 43 7.997 2.199 2.969 1.00 0.00 O ATOM 664 CB MET A 43 4.751 2.636 3.497 1.00 0.00 C ATOM 665 CG MET A 43 4.243 2.935 4.916 1.00 0.00 C ATOM 666 SD MET A 43 4.398 4.642 5.504 1.00 0.00 S ATOM 667 CE MET A 43 5.874 4.574 6.534 1.00 0.00 C ATOM 0 H MET A 43 4.558 4.622 2.173 1.00 0.00 H new ATOM 0 HA MET A 43 6.481 3.817 4.015 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.951 2.829 2.782 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.998 1.577 3.421 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.191 2.654 4.965 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.778 2.288 5.611 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.385 5.536 6.501 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.590 4.349 7.562 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.541 3.796 6.163 1.00 0.00 H new ATOM 677 N THR A 44 6.692 2.309 1.149 1.00 0.00 N ATOM 678 CA THR A 44 7.362 1.240 0.442 1.00 0.00 C ATOM 679 C THR A 44 8.568 1.757 -0.350 1.00 0.00 C ATOM 680 O THR A 44 9.173 0.956 -1.078 1.00 0.00 O ATOM 681 CB THR A 44 6.300 0.461 -0.359 1.00 0.00 C ATOM 682 OG1 THR A 44 6.918 -0.454 -1.238 1.00 0.00 O ATOM 683 CG2 THR A 44 5.294 1.363 -1.088 1.00 0.00 C ATOM 0 H THR A 44 5.970 2.781 0.605 1.00 0.00 H new ATOM 0 HA THR A 44 7.819 0.526 1.127 1.00 0.00 H new ATOM 0 HB THR A 44 5.708 -0.097 0.367 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.887 -0.310 -1.232 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.578 0.745 -1.630 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.765 1.979 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.824 2.005 -1.791 1.00 0.00 H new ATOM 691 N GLU A 45 8.910 3.050 -0.244 1.00 0.00 N ATOM 692 CA GLU A 45 9.910 3.706 -1.087 1.00 0.00 C ATOM 693 C GLU A 45 9.600 3.470 -2.577 1.00 0.00 C ATOM 694 O GLU A 45 10.521 3.374 -3.396 1.00 0.00 O ATOM 695 CB GLU A 45 11.321 3.223 -0.723 1.00 0.00 C ATOM 696 CG GLU A 45 11.757 3.294 0.751 1.00 0.00 C ATOM 697 CD GLU A 45 13.020 2.444 0.895 1.00 0.00 C ATOM 698 OE1 GLU A 45 14.082 2.824 0.352 1.00 0.00 O ATOM 699 OE2 GLU A 45 12.896 1.238 1.206 1.00 0.00 O ATOM 0 H GLU A 45 8.490 3.676 0.443 1.00 0.00 H new ATOM 0 HA GLU A 45 9.870 4.780 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.412 2.186 -1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.033 3.804 -1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.953 4.325 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.967 2.922 1.403 1.00 0.00 H new ATOM 706 N HIS A 46 8.327 3.224 -2.920 1.00 0.00 N ATOM 707 CA HIS A 46 8.011 2.587 -4.182 1.00 0.00 C ATOM 708 C HIS A 46 7.875 3.643 -5.281 1.00 0.00 C ATOM 709 O HIS A 46 7.091 4.574 -5.120 1.00 0.00 O ATOM 710 CB HIS A 46 6.751 1.717 -4.119 1.00 0.00 C ATOM 711 CG HIS A 46 6.455 1.078 -5.455 1.00 0.00 C ATOM 712 ND1 HIS A 46 5.730 1.661 -6.463 1.00 0.00 N ATOM 713 CD2 HIS A 46 7.003 -0.068 -5.966 1.00 0.00 C ATOM 714 CE1 HIS A 46 5.847 0.891 -7.560 1.00 0.00 C ATOM 715 NE2 HIS A 46 6.617 -0.173 -7.301 1.00 0.00 N ATOM 0 H HIS A 46 7.519 3.457 -2.343 1.00 0.00 H new ATOM 0 HA HIS A 46 8.838 1.916 -4.414 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.880 0.942 -3.364 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.902 2.326 -3.809 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.625 -0.768 -5.429 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.386 1.101 -8.514 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.871 -0.915 -7.953 1.00 0.00 H new ATOM 723 N PRO A 47 8.519 3.422 -6.438 1.00 0.00 N ATOM 724 CA PRO A 47 8.361 4.195 -7.668 1.00 0.00 C ATOM 725 C PRO A 47 7.003 4.846 -7.952 1.00 0.00 C ATOM 726 O PRO A 47 6.920 6.057 -8.122 1.00 0.00 O ATOM 727 CB PRO A 47 8.673 3.181 -8.770 1.00 0.00 C ATOM 728 CG PRO A 47 9.743 2.311 -8.134 1.00 0.00 C ATOM 729 CD PRO A 47 9.404 2.285 -6.681 1.00 0.00 C ATOM 0 HA PRO A 47 9.013 5.066 -7.595 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.793 2.601 -9.047 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.033 3.667 -9.677 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.740 1.307 -8.558 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.738 2.724 -8.300 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.914 1.349 -6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.305 2.358 -6.072 1.00 0.00 H new ATOM 737 N SER A 48 5.969 4.019 -8.076 1.00 0.00 N ATOM 738 CA SER A 48 4.736 4.340 -8.762 1.00 0.00 C ATOM 739 C SER A 48 3.525 4.532 -7.849 1.00 0.00 C ATOM 740 O SER A 48 2.461 4.147 -8.226 1.00 0.00 O ATOM 741 CB SER A 48 4.479 3.311 -9.880 1.00 0.00 C ATOM 742 OG SER A 48 5.662 2.736 -10.418 1.00 0.00 O ATOM 0 H SER A 48 5.974 3.077 -7.686 1.00 0.00 H new ATOM 0 HA SER A 48 4.874 5.325 -9.208 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.846 2.515 -9.489 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.924 3.794 -10.684 1.00 0.00 H new ATOM 0 HG SER A 48 5.424 2.093 -11.119 1.00 0.00 H new ATOM 748 N GLY A 49 3.643 5.017 -6.630 1.00 0.00 N ATOM 749 CA GLY A 49 2.606 5.423 -5.671 1.00 0.00 C ATOM 750 C GLY A 49 1.216 5.691 -6.268 1.00 0.00 C ATOM 751 O GLY A 49 0.286 4.908 -6.076 1.00 0.00 O ATOM 0 H GLY A 49 4.571 5.157 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.512 4.645 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.942 6.325 -5.160 1.00 0.00 H new ATOM 755 N SER A 50 1.077 6.767 -7.033 1.00 0.00 N ATOM 756 CA SER A 50 -0.173 7.181 -7.676 1.00 0.00 C ATOM 757 C SER A 50 -0.635 6.247 -8.811 1.00 0.00 C ATOM 758 O SER A 50 -1.717 6.410 -9.381 1.00 0.00 O ATOM 759 CB SER A 50 0.067 8.594 -8.233 1.00 0.00 C ATOM 760 OG SER A 50 1.288 8.681 -8.960 1.00 0.00 O ATOM 0 H SER A 50 1.853 7.398 -7.232 1.00 0.00 H new ATOM 0 HA SER A 50 -0.971 7.147 -6.934 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.762 8.873 -8.883 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.083 9.310 -7.411 1.00 0.00 H new ATOM 0 HG SER A 50 1.170 8.280 -9.846 1.00 0.00 H new ATOM 766 N ASP A 51 0.162 5.230 -9.118 1.00 0.00 N ATOM 767 CA ASP A 51 0.247 4.470 -10.326 1.00 0.00 C ATOM 768 C ASP A 51 0.476 3.013 -9.902 1.00 0.00 C ATOM 769 O ASP A 51 0.750 2.186 -10.769 1.00 0.00 O ATOM 770 CB ASP A 51 1.423 4.995 -11.184 1.00 0.00 C ATOM 771 CG ASP A 51 1.202 6.338 -11.888 1.00 0.00 C ATOM 772 OD1 ASP A 51 1.027 7.355 -11.176 1.00 0.00 O ATOM 773 OD2 ASP A 51 1.288 6.360 -13.137 1.00 0.00 O ATOM 0 H ASP A 51 0.838 4.891 -8.433 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.657 4.554 -10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.301 5.084 -10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.656 4.246 -11.941 1.00 0.00 H new ATOM 778 N LEU A 52 0.389 2.638 -8.601 1.00 0.00 N ATOM 779 CA LEU A 52 0.144 1.265 -8.292 1.00 0.00 C ATOM 780 C LEU A 52 -1.006 1.252 -7.335 1.00 0.00 C ATOM 781 O LEU A 52 -0.941 0.509 -6.374 1.00 0.00 O ATOM 782 CB LEU A 52 1.341 0.495 -7.768 1.00 0.00 C ATOM 783 CG LEU A 52 2.398 1.127 -6.880 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.894 1.959 -5.729 1.00 0.00 C ATOM 785 CD2 LEU A 52 3.135 -0.051 -6.274 1.00 0.00 C ATOM 0 H LEU A 52 0.485 3.262 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.086 0.732 -9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.945 -0.360 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.863 0.101 -8.640 1.00 0.00 H new ATOM 0 HG LEU A 52 2.979 1.812 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.741 2.356 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.293 2.784 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.283 1.340 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.922 0.313 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.436 -0.663 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.577 -0.652 -7.069 1.00 0.00 H new ATOM 797 N ILE A 53 -2.004 2.118 -7.519 1.00 0.00 N ATOM 798 CA ILE A 53 -3.124 2.166 -6.625 1.00 0.00 C ATOM 799 C ILE A 53 -4.462 2.205 -7.393 1.00 0.00 C ATOM 800 O ILE A 53 -5.386 1.538 -6.939 1.00 0.00 O ATOM 801 CB ILE A 53 -2.833 3.217 -5.551 1.00 0.00 C ATOM 802 CG1 ILE A 53 -1.765 2.683 -4.555 1.00 0.00 C ATOM 803 CG2 ILE A 53 -4.103 3.568 -4.800 1.00 0.00 C ATOM 804 CD1 ILE A 53 -2.127 1.465 -3.776 1.00 0.00 C ATOM 0 H ILE A 53 -2.044 2.790 -8.285 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.265 1.247 -6.057 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.450 4.114 -6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.854 2.471 -5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.528 3.480 -3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.881 4.316 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.840 3.967 -5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.503 2.673 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.300 1.194 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.015 1.667 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.330 0.642 -4.461 1.00 0.00 H new ATOM 816 N TYR A 54 -4.586 2.907 -8.542 1.00 0.00 N ATOM 817 CA TYR A 54 -5.850 2.928 -9.312 1.00 0.00 C ATOM 818 C TYR A 54 -5.705 3.081 -10.836 1.00 0.00 C ATOM 819 O TYR A 54 -6.505 2.544 -11.604 1.00 0.00 O ATOM 820 CB TYR A 54 -6.746 4.104 -8.884 1.00 0.00 C ATOM 821 CG TYR A 54 -6.844 4.440 -7.402 1.00 0.00 C ATOM 822 CD1 TYR A 54 -7.488 3.556 -6.516 1.00 0.00 C ATOM 823 CD2 TYR A 54 -6.243 5.610 -6.891 1.00 0.00 C ATOM 824 CE1 TYR A 54 -7.656 3.886 -5.161 1.00 0.00 C ATOM 825 CE2 TYR A 54 -6.306 5.887 -5.511 1.00 0.00 C ATOM 826 CZ TYR A 54 -7.073 5.064 -4.656 1.00 0.00 C ATOM 827 OH TYR A 54 -7.167 5.344 -3.331 1.00 0.00 O ATOM 0 H TYR A 54 -3.835 3.461 -8.953 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.272 1.948 -9.090 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.394 4.995 -9.404 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.754 3.902 -9.246 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.858 2.610 -6.883 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.735 6.292 -7.557 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.228 3.241 -4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.767 6.730 -5.106 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.331 6.303 -3.210 1.00 0.00 H new ATOM 837 N TYR A 55 -4.788 3.943 -11.281 1.00 0.00 N ATOM 838 CA TYR A 55 -4.491 4.209 -12.689 1.00 0.00 C ATOM 839 C TYR A 55 -3.891 3.003 -13.449 1.00 0.00 C ATOM 840 O TYR A 55 -4.352 2.759 -14.567 1.00 0.00 O ATOM 841 CB TYR A 55 -3.593 5.452 -12.771 1.00 0.00 C ATOM 842 CG TYR A 55 -3.132 5.834 -14.165 1.00 0.00 C ATOM 843 CD1 TYR A 55 -4.053 6.027 -15.215 1.00 0.00 C ATOM 844 CD2 TYR A 55 -1.759 6.009 -14.408 1.00 0.00 C ATOM 845 CE1 TYR A 55 -3.598 6.386 -16.498 1.00 0.00 C ATOM 846 CE2 TYR A 55 -1.295 6.369 -15.681 1.00 0.00 C ATOM 847 CZ TYR A 55 -2.215 6.557 -16.735 1.00 0.00 C ATOM 848 OH TYR A 55 -1.771 6.905 -17.974 1.00 0.00 O ATOM 0 H TYR A 55 -4.211 4.495 -10.646 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.435 4.396 -13.201 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.131 6.297 -12.341 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.713 5.285 -12.149 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.110 5.899 -15.035 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.052 5.864 -13.604 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.306 6.531 -17.301 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.237 6.502 -15.855 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.794 6.982 -17.962 1.00 0.00 H new ATOM 858 N PRO A 56 -2.928 2.229 -12.898 1.00 0.00 N ATOM 859 CA PRO A 56 -2.559 0.881 -13.366 1.00 0.00 C ATOM 860 C PRO A 56 -3.829 0.106 -13.722 1.00 0.00 C ATOM 861 O PRO A 56 -4.739 0.070 -12.897 1.00 0.00 O ATOM 862 CB PRO A 56 -1.825 0.208 -12.200 1.00 0.00 C ATOM 863 CG PRO A 56 -2.374 1.006 -11.030 1.00 0.00 C ATOM 864 CD PRO A 56 -2.260 2.392 -11.629 1.00 0.00 C ATOM 0 HA PRO A 56 -1.927 0.913 -14.254 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.056 -0.854 -12.122 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.742 0.293 -12.288 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.400 0.737 -10.779 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.782 0.888 -10.122 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.744 3.146 -11.008 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.221 2.699 -11.752 1.00 0.00 H new ATOM 872 N LYS A 57 -3.973 -0.451 -14.932 1.00 0.00 N ATOM 873 CA LYS A 57 -5.228 -1.137 -15.268 1.00 0.00 C ATOM 874 C LYS A 57 -5.177 -2.078 -16.460 1.00 0.00 C ATOM 875 O LYS A 57 -5.728 -3.172 -16.465 1.00 0.00 O ATOM 876 CB LYS A 57 -6.335 -0.081 -15.472 1.00 0.00 C ATOM 877 CG LYS A 57 -7.712 -0.762 -15.532 1.00 0.00 C ATOM 878 CD LYS A 57 -8.707 -0.199 -14.516 1.00 0.00 C ATOM 879 CE LYS A 57 -8.477 -0.667 -13.073 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.408 0.064 -12.378 1.00 0.00 N ATOM 0 H LYS A 57 -3.267 -0.443 -15.668 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.438 -1.791 -14.422 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.314 0.642 -14.656 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.154 0.473 -16.393 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.123 -0.648 -16.535 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.590 -1.831 -15.357 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.658 0.890 -14.544 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.715 -0.481 -14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.405 -0.556 -12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.234 -1.729 -13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.462 -0.129 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.484 -0.245 -12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.521 1.085 -12.544 1.00 0.00 H new ATOM 894 N GLU A 58 -4.505 -1.619 -17.495 1.00 0.00 N ATOM 895 CA GLU A 58 -4.740 -2.136 -18.857 1.00 0.00 C ATOM 896 C GLU A 58 -3.984 -3.337 -19.393 1.00 0.00 C ATOM 897 O GLU A 58 -4.346 -4.029 -20.342 1.00 0.00 O ATOM 898 CB GLU A 58 -4.767 -0.973 -19.788 1.00 0.00 C ATOM 899 CG GLU A 58 -5.536 -1.203 -21.102 1.00 0.00 C ATOM 900 CD GLU A 58 -5.731 0.081 -21.917 1.00 0.00 C ATOM 901 OE1 GLU A 58 -4.844 0.389 -22.747 1.00 0.00 O ATOM 902 OE2 GLU A 58 -6.790 0.724 -21.736 1.00 0.00 O ATOM 0 H GLU A 58 -3.792 -0.892 -17.436 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.700 -2.645 -18.774 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.211 -0.123 -19.270 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.740 -0.698 -20.030 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.999 -1.933 -21.708 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.511 -1.634 -20.875 1.00 0.00 H new ATOM 909 N GLY A 59 -2.975 -3.606 -18.635 1.00 0.00 N ATOM 910 CA GLY A 59 -2.254 -4.853 -18.519 1.00 0.00 C ATOM 911 C GLY A 59 -1.775 -4.985 -17.084 1.00 0.00 C ATOM 912 O GLY A 59 -0.913 -5.817 -16.814 1.00 0.00 O ATOM 0 H GLY A 59 -2.587 -2.895 -18.015 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.898 -5.692 -18.785 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.408 -4.870 -19.206 1.00 0.00 H new ATOM 916 N ASP A 60 -2.290 -4.122 -16.199 1.00 0.00 N ATOM 917 CA ASP A 60 -1.658 -3.838 -14.926 1.00 0.00 C ATOM 918 C ASP A 60 -2.588 -4.287 -13.838 1.00 0.00 C ATOM 919 O ASP A 60 -3.695 -3.768 -13.688 1.00 0.00 O ATOM 920 CB ASP A 60 -1.230 -2.368 -14.816 1.00 0.00 C ATOM 921 CG ASP A 60 0.202 -2.257 -14.290 1.00 0.00 C ATOM 922 OD1 ASP A 60 0.457 -2.767 -13.178 1.00 0.00 O ATOM 923 OD2 ASP A 60 1.032 -1.685 -15.031 1.00 0.00 O ATOM 0 H ASP A 60 -3.156 -3.607 -16.355 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.725 -4.393 -14.828 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.301 -1.890 -15.793 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.909 -1.836 -14.150 1.00 0.00 H new ATOM 928 N ASP A 61 -2.151 -5.363 -13.195 1.00 0.00 N ATOM 929 CA ASP A 61 -2.820 -5.966 -12.062 1.00 0.00 C ATOM 930 C ASP A 61 -2.784 -5.040 -10.853 1.00 0.00 C ATOM 931 O ASP A 61 -1.949 -5.179 -9.966 1.00 0.00 O ATOM 932 CB ASP A 61 -2.390 -7.374 -11.733 1.00 0.00 C ATOM 933 CG ASP A 61 -3.135 -7.993 -10.536 1.00 0.00 C ATOM 934 OD1 ASP A 61 -4.268 -7.553 -10.217 1.00 0.00 O ATOM 935 OD2 ASP A 61 -2.594 -8.947 -9.931 1.00 0.00 O ATOM 0 H ASP A 61 -1.295 -5.850 -13.460 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.858 -6.089 -12.370 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.544 -8.004 -12.609 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.320 -7.377 -11.523 1.00 0.00 H new ATOM 940 N ASP A 62 -3.692 -4.078 -10.824 1.00 0.00 N ATOM 941 CA ASP A 62 -3.919 -3.166 -9.716 1.00 0.00 C ATOM 942 C ASP A 62 -5.079 -3.702 -8.859 1.00 0.00 C ATOM 943 O ASP A 62 -5.681 -2.941 -8.095 1.00 0.00 O ATOM 944 CB ASP A 62 -4.304 -1.786 -10.273 1.00 0.00 C ATOM 945 CG ASP A 62 -5.805 -1.556 -10.493 1.00 0.00 C ATOM 946 OD1 ASP A 62 -6.445 -2.314 -11.262 1.00 0.00 O ATOM 947 OD2 ASP A 62 -6.337 -0.524 -10.019 1.00 0.00 O ATOM 0 H ASP A 62 -4.320 -3.904 -11.609 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.016 -3.083 -9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.934 -1.022 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.789 -1.641 -11.223 1.00 0.00 H new ATOM 952 N SER A 63 -5.442 -4.995 -8.955 1.00 0.00 N ATOM 953 CA SER A 63 -6.448 -5.512 -8.030 1.00 0.00 C ATOM 954 C SER A 63 -5.996 -5.164 -6.609 1.00 0.00 C ATOM 955 O SER A 63 -4.787 -5.107 -6.392 1.00 0.00 O ATOM 956 CB SER A 63 -6.654 -7.026 -8.171 1.00 0.00 C ATOM 957 OG SER A 63 -5.469 -7.768 -7.966 1.00 0.00 O ATOM 0 H SER A 63 -5.072 -5.665 -9.629 1.00 0.00 H new ATOM 0 HA SER A 63 -7.410 -5.053 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.408 -7.352 -7.455 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.044 -7.243 -9.166 1.00 0.00 H new ATOM 0 HG SER A 63 -4.792 -7.490 -8.618 1.00 0.00 H new ATOM 963 N PRO A 64 -6.882 -5.028 -5.604 1.00 0.00 N ATOM 964 CA PRO A 64 -6.504 -4.674 -4.239 1.00 0.00 C ATOM 965 C PRO A 64 -5.428 -5.539 -3.597 1.00 0.00 C ATOM 966 O PRO A 64 -4.930 -5.223 -2.532 1.00 0.00 O ATOM 967 CB PRO A 64 -7.783 -4.781 -3.434 1.00 0.00 C ATOM 968 CG PRO A 64 -8.848 -4.381 -4.451 1.00 0.00 C ATOM 969 CD PRO A 64 -8.324 -5.093 -5.694 1.00 0.00 C ATOM 0 HA PRO A 64 -6.057 -3.680 -4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.942 -5.791 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.776 -4.116 -2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.843 -4.722 -4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.908 -3.301 -4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.668 -6.127 -5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.682 -4.609 -6.603 1.00 0.00 H new ATOM 977 N SER A 65 -5.120 -6.647 -4.246 1.00 0.00 N ATOM 978 CA SER A 65 -3.923 -7.461 -4.147 1.00 0.00 C ATOM 979 C SER A 65 -2.792 -7.169 -5.087 1.00 0.00 C ATOM 980 O SER A 65 -1.704 -6.955 -4.595 1.00 0.00 O ATOM 981 CB SER A 65 -4.246 -8.903 -4.134 1.00 0.00 C ATOM 982 OG SER A 65 -4.062 -9.566 -2.905 1.00 0.00 O ATOM 0 H SER A 65 -5.771 -7.039 -4.926 1.00 0.00 H new ATOM 0 HA SER A 65 -3.517 -7.152 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.286 -9.025 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.634 -9.399 -4.887 1.00 0.00 H new ATOM 0 HG SER A 65 -4.304 -10.510 -3.003 1.00 0.00 H new ATOM 988 N GLY A 66 -2.990 -7.266 -6.381 1.00 0.00 N ATOM 989 CA GLY A 66 -2.103 -7.007 -7.465 1.00 0.00 C ATOM 990 C GLY A 66 -1.333 -5.741 -7.232 1.00 0.00 C ATOM 991 O GLY A 66 -0.129 -5.775 -7.384 1.00 0.00 O ATOM 0 H GLY A 66 -3.899 -7.569 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.412 -7.842 -7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.669 -6.928 -8.393 1.00 0.00 H new ATOM 995 N ILE A 67 -1.955 -4.680 -6.719 1.00 0.00 N ATOM 996 CA ILE A 67 -1.180 -3.500 -6.396 1.00 0.00 C ATOM 997 C ILE A 67 -0.190 -3.668 -5.285 1.00 0.00 C ATOM 998 O ILE A 67 0.933 -3.154 -5.301 1.00 0.00 O ATOM 999 CB ILE A 67 -2.029 -2.275 -6.031 1.00 0.00 C ATOM 1000 CG1 ILE A 67 -3.139 -2.599 -5.030 1.00 0.00 C ATOM 1001 CG2 ILE A 67 -2.626 -1.594 -7.241 1.00 0.00 C ATOM 1002 CD1 ILE A 67 -4.285 -1.579 -4.882 1.00 0.00 C ATOM 0 H ILE A 67 -2.955 -4.618 -6.527 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.650 -3.340 -7.335 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.330 -1.586 -5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.576 -3.557 -5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.680 -2.733 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.216 -0.735 -6.921 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.826 -1.259 -7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.267 -2.296 -7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.998 -1.938 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.879 -0.620 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.789 -1.457 -5.841 1.00 0.00 H new ATOM 1014 N VAL A 68 -0.607 -4.421 -4.297 1.00 0.00 N ATOM 1015 CA VAL A 68 0.283 -4.706 -3.187 1.00 0.00 C ATOM 1016 C VAL A 68 1.346 -5.619 -3.729 1.00 0.00 C ATOM 1017 O VAL A 68 2.522 -5.520 -3.415 1.00 0.00 O ATOM 1018 CB VAL A 68 -0.581 -5.373 -2.115 1.00 0.00 C ATOM 1019 CG1 VAL A 68 0.088 -5.325 -0.751 1.00 0.00 C ATOM 1020 CG2 VAL A 68 -1.828 -4.558 -1.953 1.00 0.00 C ATOM 0 H VAL A 68 -1.534 -4.841 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 68 0.768 -3.833 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.757 -6.403 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.554 -5.808 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.044 -5.846 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.254 -4.287 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.463 -5.012 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.564 -3.546 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.365 -4.522 -2.901 1.00 0.00 H new ATOM 1030 N ASN A 69 0.903 -6.462 -4.627 1.00 0.00 N ATOM 1031 CA ASN A 69 1.704 -7.275 -5.504 1.00 0.00 C ATOM 1032 C ASN A 69 2.662 -6.470 -6.338 1.00 0.00 C ATOM 1033 O ASN A 69 3.725 -6.995 -6.626 1.00 0.00 O ATOM 1034 CB ASN A 69 0.883 -8.202 -6.331 1.00 0.00 C ATOM 1035 CG ASN A 69 1.056 -9.688 -6.060 1.00 0.00 C ATOM 1036 OD1 ASN A 69 2.084 -10.166 -5.590 1.00 0.00 O ATOM 1037 ND2 ASN A 69 -0.010 -10.437 -6.272 1.00 0.00 N ATOM 0 H ASN A 69 -0.096 -6.608 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 69 2.317 -7.897 -4.852 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.167 -7.949 -6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.113 -8.018 -7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.012 -11.431 -6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.855 -10.022 -6.663 1.00 0.00 H new ATOM 1044 N THR A 70 2.374 -5.223 -6.682 1.00 0.00 N ATOM 1045 CA THR A 70 3.223 -4.529 -7.611 1.00 0.00 C ATOM 1046 C THR A 70 4.471 -4.132 -6.836 1.00 0.00 C ATOM 1047 O THR A 70 5.616 -4.293 -7.271 1.00 0.00 O ATOM 1048 CB THR A 70 2.515 -3.308 -8.220 1.00 0.00 C ATOM 1049 OG1 THR A 70 1.346 -3.756 -8.856 1.00 0.00 O ATOM 1050 CG2 THR A 70 3.367 -2.554 -9.244 1.00 0.00 C ATOM 0 H THR A 70 1.576 -4.690 -6.336 1.00 0.00 H new ATOM 0 HA THR A 70 3.481 -5.166 -8.457 1.00 0.00 H new ATOM 0 HB THR A 70 2.308 -2.612 -7.407 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.910 -4.434 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.804 -1.705 -9.632 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.279 -2.196 -8.766 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.626 -3.223 -10.065 1.00 0.00 H new ATOM 1058 N VAL A 71 4.238 -3.744 -5.582 1.00 0.00 N ATOM 1059 CA VAL A 71 5.269 -3.574 -4.610 1.00 0.00 C ATOM 1060 C VAL A 71 5.922 -4.889 -4.426 1.00 0.00 C ATOM 1061 O VAL A 71 7.135 -4.916 -4.374 1.00 0.00 O ATOM 1062 CB VAL A 71 4.713 -3.054 -3.285 1.00 0.00 C ATOM 1063 CG1 VAL A 71 5.711 -3.145 -2.171 1.00 0.00 C ATOM 1064 CG2 VAL A 71 4.416 -1.627 -3.585 1.00 0.00 C ATOM 0 H VAL A 71 3.304 -3.540 -5.227 1.00 0.00 H new ATOM 0 HA VAL A 71 5.987 -2.831 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 71 3.853 -3.632 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.266 -2.763 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.003 -4.185 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.591 -2.553 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.007 -1.146 -2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.333 -1.119 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.690 -1.569 -4.396 1.00 0.00 H new ATOM 1074 N LYS A 72 5.174 -5.979 -4.339 1.00 0.00 N ATOM 1075 CA LYS A 72 5.810 -7.258 -4.019 1.00 0.00 C ATOM 1076 C LYS A 72 6.780 -7.788 -5.052 1.00 0.00 C ATOM 1077 O LYS A 72 7.279 -8.894 -4.922 1.00 0.00 O ATOM 1078 CB LYS A 72 4.771 -8.322 -3.715 1.00 0.00 C ATOM 1079 CG LYS A 72 4.906 -8.541 -2.233 1.00 0.00 C ATOM 1080 CD LYS A 72 4.225 -7.359 -1.566 1.00 0.00 C ATOM 1081 CE LYS A 72 2.761 -7.556 -1.106 1.00 0.00 C ATOM 1082 NZ LYS A 72 2.362 -8.944 -0.775 1.00 0.00 N ATOM 0 H LYS A 72 4.164 -6.012 -4.478 1.00 0.00 H new ATOM 0 HA LYS A 72 6.411 -7.035 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.768 -7.989 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.961 -9.238 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.438 -9.479 -1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.955 -8.601 -1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.817 -7.074 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.251 -6.518 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.590 -6.932 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.102 -7.188 -1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.503 -8.928 -0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.173 -9.469 -1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.130 -9.410 -0.251 1.00 0.00 H new ATOM 1096 N GLN A 73 6.983 -6.999 -6.081 1.00 0.00 N ATOM 1097 CA GLN A 73 7.687 -7.216 -7.288 1.00 0.00 C ATOM 1098 C GLN A 73 8.773 -6.169 -7.454 1.00 0.00 C ATOM 1099 O GLN A 73 9.922 -6.535 -7.644 1.00 0.00 O ATOM 1100 CB GLN A 73 6.708 -7.423 -8.450 1.00 0.00 C ATOM 1101 CG GLN A 73 5.894 -8.652 -8.026 1.00 0.00 C ATOM 1102 CD GLN A 73 4.899 -9.191 -9.035 1.00 0.00 C ATOM 1103 OE1 GLN A 73 5.255 -9.821 -10.023 1.00 0.00 O ATOM 1104 NE2 GLN A 73 3.630 -8.979 -8.735 1.00 0.00 N ATOM 0 H GLN A 73 6.593 -6.057 -6.069 1.00 0.00 H new ATOM 0 HA GLN A 73 8.243 -8.153 -7.270 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.070 -6.551 -8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.233 -7.595 -9.390 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.591 -9.452 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.352 -8.403 -7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.385 -8.447 -7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.895 -9.347 -9.339 1.00 0.00 H new ATOM 1113 N TRP A 74 8.486 -4.896 -7.197 1.00 0.00 N ATOM 1114 CA TRP A 74 9.492 -3.872 -6.978 1.00 0.00 C ATOM 1115 C TRP A 74 10.279 -4.212 -5.724 1.00 0.00 C ATOM 1116 O TRP A 74 11.437 -4.573 -5.807 1.00 0.00 O ATOM 1117 CB TRP A 74 8.949 -2.478 -6.913 1.00 0.00 C ATOM 1118 CG TRP A 74 10.060 -1.489 -7.134 1.00 0.00 C ATOM 1119 CD1 TRP A 74 10.509 -1.117 -8.345 1.00 0.00 C ATOM 1120 CD2 TRP A 74 10.874 -0.730 -6.198 1.00 0.00 C ATOM 1121 NE1 TRP A 74 11.636 -0.338 -8.242 1.00 0.00 N ATOM 1122 CE2 TRP A 74 11.855 0.009 -6.934 1.00 0.00 C ATOM 1123 CE3 TRP A 74 10.818 -0.507 -4.814 1.00 0.00 C ATOM 1124 CZ2 TRP A 74 12.728 0.928 -6.340 1.00 0.00 C ATOM 1125 CZ3 TRP A 74 11.658 0.448 -4.228 1.00 0.00 C ATOM 1126 CH2 TRP A 74 12.616 1.160 -4.965 1.00 0.00 C ATOM 0 H TRP A 74 7.530 -4.545 -7.135 1.00 0.00 H new ATOM 0 HA TRP A 74 10.145 -3.874 -7.851 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.174 -2.344 -7.668 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.482 -2.304 -5.943 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.044 -1.395 -9.279 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.225 -0.058 -9.026 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.129 -1.070 -4.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.470 1.446 -6.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.565 0.644 -3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.259 1.878 -4.477 1.00 0.00 H new ATOM 1137 N ARG A 75 9.660 -4.212 -4.544 1.00 0.00 N ATOM 1138 CA ARG A 75 10.265 -4.635 -3.288 1.00 0.00 C ATOM 1139 C ARG A 75 10.834 -6.038 -3.301 1.00 0.00 C ATOM 1140 O ARG A 75 11.535 -6.390 -2.362 1.00 0.00 O ATOM 1141 CB ARG A 75 9.250 -4.602 -2.115 1.00 0.00 C ATOM 1142 CG ARG A 75 9.045 -3.290 -1.336 1.00 0.00 C ATOM 1143 CD ARG A 75 8.369 -3.466 0.023 1.00 0.00 C ATOM 1144 NE ARG A 75 8.969 -4.509 0.879 1.00 0.00 N ATOM 1145 CZ ARG A 75 8.621 -5.803 0.963 1.00 0.00 C ATOM 1146 NH1 ARG A 75 7.824 -6.376 0.067 1.00 0.00 N ATOM 1147 NH2 ARG A 75 9.080 -6.538 1.967 1.00 0.00 N ATOM 0 H ARG A 75 8.693 -3.907 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 75 11.074 -3.917 -3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.280 -4.903 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.552 -5.365 -1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.014 -2.814 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.445 -2.611 -1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.401 -2.515 0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.318 -3.707 -0.137 1.00 0.00 H new ATOM 0 HE ARG A 75 9.739 -4.211 1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.458 -5.830 -0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.578 -7.362 0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.692 -6.119 2.667 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.821 -7.522 2.039 1.00 0.00 H new ATOM 1161 N ALA A 76 10.557 -6.825 -4.319 1.00 0.00 N ATOM 1162 CA ALA A 76 11.178 -8.129 -4.463 1.00 0.00 C ATOM 1163 C ALA A 76 12.336 -8.173 -5.429 1.00 0.00 C ATOM 1164 O ALA A 76 13.253 -8.972 -5.263 1.00 0.00 O ATOM 1165 CB ALA A 76 10.138 -9.184 -4.792 1.00 0.00 C ATOM 0 H ALA A 76 9.903 -6.585 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 76 11.621 -8.352 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.624 -10.154 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.401 -9.231 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.641 -8.926 -5.727 1.00 0.00 H new ATOM 1171 N ALA A 77 12.323 -7.266 -6.385 1.00 0.00 N ATOM 1172 CA ALA A 77 13.328 -7.202 -7.438 1.00 0.00 C ATOM 1173 C ALA A 77 14.429 -6.234 -7.087 1.00 0.00 C ATOM 1174 O ALA A 77 15.607 -6.437 -7.359 1.00 0.00 O ATOM 1175 CB ALA A 77 12.669 -6.769 -8.750 1.00 0.00 C ATOM 0 H ALA A 77 11.608 -6.542 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 77 13.767 -8.194 -7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.422 -6.721 -9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.900 -7.490 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.215 -5.786 -8.622 1.00 0.00 H new ATOM 1181 N ASN A 78 13.995 -5.182 -6.424 1.00 0.00 N ATOM 1182 CA ASN A 78 14.775 -4.273 -5.649 1.00 0.00 C ATOM 1183 C ASN A 78 15.173 -4.888 -4.318 1.00 0.00 C ATOM 1184 O ASN A 78 16.044 -4.394 -3.616 1.00 0.00 O ATOM 1185 CB ASN A 78 13.908 -3.029 -5.492 1.00 0.00 C ATOM 1186 CG ASN A 78 14.798 -1.790 -5.417 1.00 0.00 C ATOM 1187 OD1 ASN A 78 15.205 -1.333 -4.360 1.00 0.00 O ATOM 1188 ND2 ASN A 78 15.165 -1.239 -6.562 1.00 0.00 N ATOM 0 H ASN A 78 13.006 -4.931 -6.421 1.00 0.00 H new ATOM 0 HA ASN A 78 15.720 -4.023 -6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.220 -2.944 -6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.301 -3.108 -4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.788 -0.432 -6.563 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.825 -1.621 -7.444 1.00 0.00 H new ATOM 1195 N GLY A 79 14.516 -6.000 -4.008 1.00 0.00 N ATOM 1196 CA GLY A 79 14.849 -6.902 -2.912 1.00 0.00 C ATOM 1197 C GLY A 79 14.644 -6.229 -1.562 1.00 0.00 C ATOM 1198 O GLY A 79 15.253 -6.642 -0.575 1.00 0.00 O ATOM 0 H GLY A 79 13.701 -6.311 -4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.229 -7.797 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.886 -7.225 -3.006 1.00 0.00 H new ATOM 1202 N LYS A 80 13.797 -5.189 -1.552 1.00 0.00 N ATOM 1203 CA LYS A 80 13.628 -4.213 -0.449 1.00 0.00 C ATOM 1204 C LYS A 80 13.775 -4.835 0.923 1.00 0.00 C ATOM 1205 O LYS A 80 14.569 -4.415 1.757 1.00 0.00 O ATOM 1206 CB LYS A 80 12.386 -3.363 -0.546 1.00 0.00 C ATOM 1207 CG LYS A 80 12.421 -2.685 -1.906 1.00 0.00 C ATOM 1208 CD LYS A 80 13.170 -1.498 -2.189 1.00 0.00 C ATOM 1209 CE LYS A 80 12.721 -0.324 -1.394 1.00 0.00 C ATOM 1210 NZ LYS A 80 13.667 0.808 -1.454 1.00 0.00 N ATOM 0 H LYS A 80 13.183 -4.991 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 80 14.462 -3.524 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.490 -3.975 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.361 -2.623 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.766 -3.439 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.385 -2.460 -2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.225 -1.684 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.084 -1.265 -3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.747 0.004 -1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.588 -0.625 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.990 1.042 -0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.485 0.546 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.193 1.635 -1.870 1.00 0.00 H new ATOM 1224 N SER A 81 12.964 -5.865 1.106 1.00 0.00 N ATOM 1225 CA SER A 81 12.580 -6.439 2.344 1.00 0.00 C ATOM 1226 C SER A 81 11.794 -5.385 3.098 1.00 0.00 C ATOM 1227 O SER A 81 11.227 -4.452 2.529 1.00 0.00 O ATOM 1228 CB SER A 81 13.734 -7.122 2.988 1.00 0.00 C ATOM 1229 OG SER A 81 14.493 -7.910 2.086 1.00 0.00 O ATOM 0 H SER A 81 12.534 -6.345 0.316 1.00 0.00 H new ATOM 0 HA SER A 81 11.889 -7.278 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.384 -6.373 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.368 -7.757 3.795 1.00 0.00 H new ATOM 0 HG SER A 81 15.237 -8.331 2.566 1.00 0.00 H new ATOM 1235 N GLY A 82 11.615 -5.655 4.363 1.00 0.00 N ATOM 1236 CA GLY A 82 11.295 -4.617 5.318 1.00 0.00 C ATOM 1237 C GLY A 82 9.850 -4.474 5.704 1.00 0.00 C ATOM 1238 O GLY A 82 9.454 -3.403 6.137 1.00 0.00 O ATOM 0 H GLY A 82 11.685 -6.591 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.872 -4.800 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.634 -3.664 4.911 1.00 0.00 H new ATOM 1242 N PHE A 83 9.059 -5.507 5.474 1.00 0.00 N ATOM 1243 CA PHE A 83 7.845 -5.651 6.210 1.00 0.00 C ATOM 1244 C PHE A 83 8.243 -6.549 7.376 1.00 0.00 C ATOM 1245 O PHE A 83 9.332 -7.121 7.485 1.00 0.00 O ATOM 1246 CB PHE A 83 6.744 -6.375 5.445 1.00 0.00 C ATOM 1247 CG PHE A 83 6.041 -5.571 4.408 1.00 0.00 C ATOM 1248 CD1 PHE A 83 5.072 -4.602 4.704 1.00 0.00 C ATOM 1249 CD2 PHE A 83 6.267 -5.923 3.092 1.00 0.00 C ATOM 1250 CE1 PHE A 83 4.495 -3.891 3.654 1.00 0.00 C ATOM 1251 CE2 PHE A 83 5.648 -5.240 2.047 1.00 0.00 C ATOM 1252 CZ PHE A 83 4.795 -4.171 2.309 1.00 0.00 C ATOM 0 H PHE A 83 9.243 -6.242 4.791 1.00 0.00 H new ATOM 0 HA PHE A 83 7.448 -4.669 6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.177 -7.253 4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.006 -6.735 6.162 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.779 -4.411 5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.935 -6.742 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.795 -3.100 3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.831 -5.542 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.379 -3.578 1.508 1.00 0.00 H new ATOM 1262 N LYS A 84 7.231 -6.690 8.181 1.00 0.00 N ATOM 1263 CA LYS A 84 6.839 -7.615 9.162 1.00 0.00 C ATOM 1264 C LYS A 84 6.371 -8.893 8.504 1.00 0.00 C ATOM 1265 O LYS A 84 6.381 -9.105 7.295 1.00 0.00 O ATOM 1266 CB LYS A 84 5.837 -6.880 9.999 1.00 0.00 C ATOM 1267 CG LYS A 84 5.739 -7.207 11.500 1.00 0.00 C ATOM 1268 CD LYS A 84 5.206 -5.928 12.146 1.00 0.00 C ATOM 1269 CE LYS A 84 4.631 -6.064 13.554 1.00 0.00 C ATOM 1270 NZ LYS A 84 4.113 -4.761 14.045 1.00 0.00 N ATOM 0 H LYS A 84 6.507 -5.974 8.129 1.00 0.00 H new ATOM 0 HA LYS A 84 7.637 -7.962 9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.049 -5.815 9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.854 -7.049 9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.070 -8.049 11.678 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.711 -7.481 11.909 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.015 -5.199 12.177 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.431 -5.517 11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.828 -6.802 13.553 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.402 -6.432 14.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.456 -4.924 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.906 -4.173 14.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.614 -4.273 13.274 1.00 0.00 H new ATOM 1284 N GLN A 85 5.925 -9.709 9.415 1.00 0.00 N ATOM 1285 CA GLN A 85 5.654 -11.111 9.369 1.00 0.00 C ATOM 1286 C GLN A 85 4.189 -11.383 9.634 1.00 0.00 C ATOM 1287 O GLN A 85 3.344 -11.510 8.748 1.00 0.00 O ATOM 1288 CB GLN A 85 6.579 -11.832 10.329 1.00 0.00 C ATOM 1289 CG GLN A 85 7.075 -11.015 11.503 1.00 0.00 C ATOM 1290 CD GLN A 85 7.727 -11.872 12.587 1.00 0.00 C ATOM 1291 OE1 GLN A 85 8.908 -12.189 12.511 1.00 0.00 O ATOM 1292 NE2 GLN A 85 6.983 -12.266 13.604 1.00 0.00 N ATOM 0 H GLN A 85 5.713 -9.345 10.344 1.00 0.00 H new ATOM 0 HA GLN A 85 5.854 -11.498 8.370 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.060 -12.710 10.714 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.443 -12.192 9.770 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.794 -10.277 11.148 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.240 -10.464 11.935 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.001 -11.994 13.653 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.390 -12.842 14.340 1.00 0.00 H new ATOM 1301 N GLY A 86 3.977 -11.414 10.926 1.00 0.00 N ATOM 1302 CA GLY A 86 2.849 -11.838 11.711 1.00 0.00 C ATOM 1303 C GLY A 86 3.425 -12.123 13.089 1.00 0.00 C ATOM 1304 O GLY A 86 4.377 -11.394 13.462 1.00 0.00 O ATOM 1305 OXT GLY A 86 3.007 -13.119 13.702 1.00 0.00 O ATOM 0 H GLY A 86 4.717 -11.088 11.547 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.083 -11.064 11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.381 -12.726 11.286 1.00 0.00 H new