USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1092 hydrogens (44 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 29 TYR OH : rot 162:sc= 0.651 USER MOD Set 1.2: A 97 THR OG1 : rot 142:sc= 0.868 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0509 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= -0.204 (180deg=-0.697) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0.245 (180deg=0.244) USER MOD Single : A 28 GLN : amide:sc= 0.443 K(o=0.44,f=-4.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-7.7!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.431 USER MOD Single : A 47 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.9) USER MOD Single : A 53 THR OG1 : rot 151:sc= 0.667 USER MOD Single : A 54 SER OG : rot -48:sc= 0.0213 USER MOD Single : A 57 CYS SG : rot 85:sc= -0.444 USER MOD Single : A 59 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.7) USER MOD Single : A 63 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.2!) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00163 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -3.18! C(o=-3.2!,f=-8!) USER MOD Single : A 81 THR OG1 : rot 91:sc= -1.52 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -160:sc= -0.239 USER MOD Single : A 89 HIS : no HD1:sc= -0.0564 K(o=0.55,f=-3.9!) USER MOD Single : A 90 GLN : amide:sc= -0.698 K(o=-0.7,f=-3.9!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.0504 K(o=-0.05,f=-0.8) USER MOD Single : A 109 ASN : amide:sc= -0.035 K(o=-0.035,f=-1.6!) USER MOD Single : A 110 LYS NZ :NH3+ 154:sc= -0.0194 (180deg=-0.297) USER MOD Single : A 111 SER OG : rot -54:sc= 0.075 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 117 GLN : amide:sc= -0.0279 K(o=-0.028,f=-0.53) USER MOD Single : A 122 THR OG1 : rot -49:sc= 0.00682 USER MOD Single : A 124 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.3!) USER MOD Single : A 125 ASN : amide:sc=-0.00301 X(o=-0.003,f=-0.24) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.4) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.3!) USER MOD Single : A 131 ASN : amide:sc= -0.0962 K(o=-0.096,f=-1.2!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PIO O2 : rot -156:sc= 0.0762 USER MOD Single : A 300 PIO O3 : rot 172:sc= 0.42 USER MOD Single : A 300 PIO O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 23.164 5.953 1.739 1.00 13.00 N ATOM 2 CA GLY A 2 23.310 4.559 2.113 1.00 45.03 C ATOM 3 C GLY A 2 22.000 3.799 2.037 1.00 32.20 C ATOM 4 O GLY A 2 21.823 2.938 1.175 1.00 1.11 O ATOM 0 HA2 GLY A 2 24.040 4.085 1.458 1.00 45.03 H new ATOM 0 HA3 GLY A 2 23.704 4.497 3.127 1.00 45.03 H new ATOM 8 N ALA A 3 21.080 4.116 2.943 1.00 35.51 N ATOM 9 CA ALA A 3 19.781 3.457 2.974 1.00 43.13 C ATOM 10 C ALA A 3 18.796 4.140 2.032 1.00 20.14 C ATOM 11 O ALA A 3 18.560 5.345 2.131 1.00 63.50 O ATOM 12 CB ALA A 3 19.231 3.441 4.393 1.00 10.12 C ATOM 0 H ALA A 3 21.211 4.825 3.665 1.00 35.51 H new ATOM 0 HA ALA A 3 19.915 2.430 2.635 1.00 43.13 H new ATOM 0 HB1 ALA A 3 18.260 2.946 4.401 1.00 10.12 H new ATOM 0 HB2 ALA A 3 19.919 2.902 5.044 1.00 10.12 H new ATOM 0 HB3 ALA A 3 19.119 4.464 4.751 1.00 10.12 H new ATOM 18 N ARG A 4 18.224 3.363 1.117 1.00 34.13 N ATOM 19 CA ARG A 4 17.266 3.894 0.155 1.00 14.45 C ATOM 20 C ARG A 4 15.854 3.406 0.467 1.00 72.10 C ATOM 21 O ARG A 4 14.908 4.192 0.501 1.00 41.43 O ATOM 22 CB ARG A 4 17.656 3.485 -1.266 1.00 55.33 C ATOM 23 CG ARG A 4 17.690 4.645 -2.247 1.00 13.14 C ATOM 24 CD ARG A 4 18.100 4.187 -3.638 1.00 34.13 C ATOM 25 NE ARG A 4 19.013 5.131 -4.278 1.00 41.22 N ATOM 26 CZ ARG A 4 19.458 4.994 -5.523 1.00 3.34 C ATOM 27 NH1 ARG A 4 19.075 3.959 -6.257 1.00 64.11 N ATOM 28 NH2 ARG A 4 20.286 5.895 -6.035 1.00 5.33 N ATOM 0 H ARG A 4 18.408 2.364 1.022 1.00 34.13 H new ATOM 0 HA ARG A 4 17.281 4.981 0.229 1.00 14.45 H new ATOM 0 HB2 ARG A 4 18.638 3.012 -1.242 1.00 55.33 H new ATOM 0 HB3 ARG A 4 16.950 2.737 -1.626 1.00 55.33 H new ATOM 0 HG2 ARG A 4 16.707 5.114 -2.292 1.00 13.14 H new ATOM 0 HG3 ARG A 4 18.388 5.403 -1.892 1.00 13.14 H new ATOM 0 HD2 ARG A 4 18.577 3.209 -3.572 1.00 34.13 H new ATOM 0 HD3 ARG A 4 17.211 4.066 -4.257 1.00 34.13 H new ATOM 0 HE ARG A 4 19.326 5.939 -3.740 1.00 41.22 H new ATOM 0 HH11 ARG A 4 18.437 3.265 -5.867 1.00 64.11 H new ATOM 0 HH12 ARG A 4 19.418 3.856 -7.212 1.00 64.11 H new ATOM 0 HH21 ARG A 4 20.582 6.693 -5.473 1.00 5.33 H new ATOM 0 HH22 ARG A 4 20.627 5.789 -6.990 1.00 5.33 H new ATOM 42 N ALA A 5 15.721 2.103 0.692 1.00 74.02 N ATOM 43 CA ALA A 5 14.427 1.509 1.002 1.00 33.34 C ATOM 44 C ALA A 5 14.520 0.592 2.217 1.00 71.54 C ATOM 45 O ALA A 5 15.613 0.223 2.645 1.00 33.01 O ATOM 46 CB ALA A 5 13.897 0.743 -0.201 1.00 25.32 C ATOM 0 H ALA A 5 16.494 1.438 0.665 1.00 74.02 H new ATOM 0 HA ALA A 5 13.733 2.315 1.241 1.00 33.34 H new ATOM 0 HB1 ALA A 5 12.930 0.304 0.044 1.00 25.32 H new ATOM 0 HB2 ALA A 5 13.783 1.424 -1.045 1.00 25.32 H new ATOM 0 HB3 ALA A 5 14.598 -0.049 -0.466 1.00 25.32 H new ATOM 52 N SER A 6 13.367 0.228 2.767 1.00 43.02 N ATOM 53 CA SER A 6 13.318 -0.643 3.936 1.00 11.22 C ATOM 54 C SER A 6 13.974 -1.988 3.639 1.00 23.31 C ATOM 55 O SER A 6 13.860 -2.516 2.533 1.00 23.11 O ATOM 56 CB SER A 6 11.870 -0.856 4.380 1.00 2.31 C ATOM 57 OG SER A 6 11.788 -1.842 5.393 1.00 43.43 O ATOM 0 H SER A 6 12.453 0.523 2.422 1.00 43.02 H new ATOM 0 HA SER A 6 13.870 -0.159 4.742 1.00 11.22 H new ATOM 0 HB2 SER A 6 11.457 0.083 4.748 1.00 2.31 H new ATOM 0 HB3 SER A 6 11.265 -1.157 3.525 1.00 2.31 H new ATOM 0 HG SER A 6 10.853 -1.959 5.661 1.00 43.43 H new ATOM 63 N VAL A 7 14.662 -2.536 4.635 1.00 62.02 N ATOM 64 CA VAL A 7 15.336 -3.820 4.482 1.00 60.11 C ATOM 65 C VAL A 7 14.720 -4.877 5.393 1.00 23.33 C ATOM 66 O VAL A 7 14.260 -5.921 4.928 1.00 52.04 O ATOM 67 CB VAL A 7 16.840 -3.705 4.792 1.00 4.20 C ATOM 68 CG1 VAL A 7 17.519 -5.060 4.656 1.00 53.22 C ATOM 69 CG2 VAL A 7 17.495 -2.677 3.882 1.00 60.03 C ATOM 0 H VAL A 7 14.767 -2.111 5.556 1.00 62.02 H new ATOM 0 HA VAL A 7 15.209 -4.122 3.442 1.00 60.11 H new ATOM 0 HB VAL A 7 16.956 -3.370 5.823 1.00 4.20 H new ATOM 0 HG11 VAL A 7 18.581 -4.959 4.879 1.00 53.22 H new ATOM 0 HG12 VAL A 7 17.067 -5.765 5.354 1.00 53.22 H new ATOM 0 HG13 VAL A 7 17.395 -5.428 3.638 1.00 53.22 H new ATOM 0 HG21 VAL A 7 18.558 -2.609 4.115 1.00 60.03 H new ATOM 0 HG22 VAL A 7 17.370 -2.980 2.842 1.00 60.03 H new ATOM 0 HG23 VAL A 7 17.027 -1.705 4.035 1.00 60.03 H new ATOM 79 N LEU A 8 14.711 -4.598 6.691 1.00 74.05 N ATOM 80 CA LEU A 8 14.151 -5.524 7.669 1.00 3.05 C ATOM 81 C LEU A 8 12.936 -4.914 8.362 1.00 32.30 C ATOM 82 O LEU A 8 12.964 -3.758 8.783 1.00 33.44 O ATOM 83 CB LEU A 8 15.208 -5.902 8.708 1.00 1.31 C ATOM 84 CG LEU A 8 16.363 -6.769 8.205 1.00 5.33 C ATOM 85 CD1 LEU A 8 17.350 -7.046 9.327 1.00 15.21 C ATOM 86 CD2 LEU A 8 15.836 -8.073 7.623 1.00 35.35 C ATOM 0 H LEU A 8 15.085 -3.738 7.091 1.00 74.05 H new ATOM 0 HA LEU A 8 13.833 -6.423 7.141 1.00 3.05 H new ATOM 0 HB2 LEU A 8 15.623 -4.985 9.125 1.00 1.31 H new ATOM 0 HB3 LEU A 8 14.714 -6.428 9.525 1.00 1.31 H new ATOM 0 HG LEU A 8 16.884 -6.225 7.416 1.00 5.33 H new ATOM 0 HD11 LEU A 8 18.165 -7.664 8.950 1.00 15.21 H new ATOM 0 HD12 LEU A 8 17.752 -6.104 9.699 1.00 15.21 H new ATOM 0 HD13 LEU A 8 16.842 -7.569 10.137 1.00 15.21 H new ATOM 0 HD21 LEU A 8 16.671 -8.678 7.270 1.00 35.35 H new ATOM 0 HD22 LEU A 8 15.291 -8.621 8.392 1.00 35.35 H new ATOM 0 HD23 LEU A 8 15.168 -7.856 6.790 1.00 35.35 H new ATOM 98 N SER A 9 11.871 -5.701 8.479 1.00 31.22 N ATOM 99 CA SER A 9 10.645 -5.238 9.119 1.00 13.21 C ATOM 100 C SER A 9 10.764 -5.314 10.639 1.00 31.10 C ATOM 101 O SER A 9 11.838 -5.584 11.176 1.00 21.41 O ATOM 102 CB SER A 9 9.452 -6.070 8.648 1.00 65.23 C ATOM 103 OG SER A 9 9.211 -7.158 9.524 1.00 13.01 O ATOM 0 H SER A 9 11.832 -6.662 8.139 1.00 31.22 H new ATOM 0 HA SER A 9 10.487 -4.198 8.835 1.00 13.21 H new ATOM 0 HB2 SER A 9 8.564 -5.440 8.593 1.00 65.23 H new ATOM 0 HB3 SER A 9 9.640 -6.444 7.642 1.00 65.23 H new ATOM 0 HG SER A 9 8.442 -7.673 9.202 1.00 13.01 H new ATOM 109 N GLY A 10 9.652 -5.073 11.327 1.00 32.44 N ATOM 110 CA GLY A 10 9.652 -5.118 12.776 1.00 3.24 C ATOM 111 C GLY A 10 10.139 -6.449 13.315 1.00 63.51 C ATOM 112 O GLY A 10 11.015 -6.495 14.177 1.00 13.15 O ATOM 0 H GLY A 10 8.751 -4.847 10.905 1.00 32.44 H new ATOM 0 HA2 GLY A 10 10.286 -4.320 13.161 1.00 3.24 H new ATOM 0 HA3 GLY A 10 8.643 -4.928 13.142 1.00 3.24 H new ATOM 116 N GLY A 11 9.566 -7.537 12.807 1.00 74.22 N ATOM 117 CA GLY A 11 9.959 -8.860 13.255 1.00 52.52 C ATOM 118 C GLY A 11 11.388 -9.198 12.881 1.00 32.10 C ATOM 119 O GLY A 11 12.135 -9.747 13.691 1.00 12.22 O ATOM 0 H GLY A 11 8.837 -7.525 12.094 1.00 74.22 H new ATOM 0 HA2 GLY A 11 9.846 -8.922 14.337 1.00 52.52 H new ATOM 0 HA3 GLY A 11 9.288 -9.601 12.821 1.00 52.52 H new ATOM 123 N GLU A 12 11.770 -8.873 11.649 1.00 23.33 N ATOM 124 CA GLU A 12 13.118 -9.149 11.169 1.00 45.42 C ATOM 125 C GLU A 12 14.150 -8.338 11.949 1.00 20.24 C ATOM 126 O GLU A 12 15.280 -8.781 12.151 1.00 51.25 O ATOM 127 CB GLU A 12 13.227 -8.833 9.676 1.00 34.14 C ATOM 128 CG GLU A 12 12.107 -9.433 8.844 1.00 71.53 C ATOM 129 CD GLU A 12 12.288 -9.188 7.358 1.00 1.12 C ATOM 130 OE1 GLU A 12 12.191 -8.016 6.936 1.00 11.11 O ATOM 131 OE2 GLU A 12 12.525 -10.165 6.619 1.00 25.32 O ATOM 0 H GLU A 12 11.164 -8.418 10.966 1.00 23.33 H new ATOM 0 HA GLU A 12 13.321 -10.209 11.324 1.00 45.42 H new ATOM 0 HB2 GLU A 12 13.229 -7.751 9.541 1.00 34.14 H new ATOM 0 HB3 GLU A 12 14.183 -9.202 9.304 1.00 34.14 H new ATOM 0 HG2 GLU A 12 12.058 -10.506 9.028 1.00 71.53 H new ATOM 0 HG3 GLU A 12 11.155 -9.010 9.165 1.00 71.53 H new ATOM 138 N LEU A 13 13.752 -7.147 12.382 1.00 11.23 N ATOM 139 CA LEU A 13 14.640 -6.272 13.139 1.00 70.31 C ATOM 140 C LEU A 13 15.006 -6.897 14.482 1.00 33.32 C ATOM 141 O LEU A 13 16.167 -6.880 14.890 1.00 11.01 O ATOM 142 CB LEU A 13 13.980 -4.910 13.360 1.00 50.22 C ATOM 143 CG LEU A 13 14.912 -3.773 13.781 1.00 51.03 C ATOM 144 CD1 LEU A 13 15.832 -3.385 12.633 1.00 53.14 C ATOM 145 CD2 LEU A 13 14.108 -2.570 14.253 1.00 71.54 C ATOM 0 H LEU A 13 12.820 -6.765 12.222 1.00 11.23 H new ATOM 0 HA LEU A 13 15.554 -6.136 12.561 1.00 70.31 H new ATOM 0 HB2 LEU A 13 13.477 -4.618 12.438 1.00 50.22 H new ATOM 0 HB3 LEU A 13 13.209 -5.022 14.122 1.00 50.22 H new ATOM 0 HG LEU A 13 15.527 -4.121 14.611 1.00 51.03 H new ATOM 0 HD11 LEU A 13 16.488 -2.575 12.951 1.00 53.14 H new ATOM 0 HD12 LEU A 13 16.434 -4.246 12.342 1.00 53.14 H new ATOM 0 HD13 LEU A 13 15.234 -3.056 11.783 1.00 53.14 H new ATOM 0 HD21 LEU A 13 14.788 -1.771 14.548 1.00 71.54 H new ATOM 0 HD22 LEU A 13 13.467 -2.220 13.444 1.00 71.54 H new ATOM 0 HD23 LEU A 13 13.492 -2.856 15.106 1.00 71.54 H new ATOM 157 N ASP A 14 14.008 -7.449 15.163 1.00 30.22 N ATOM 158 CA ASP A 14 14.224 -8.083 16.458 1.00 40.33 C ATOM 159 C ASP A 14 15.257 -9.201 16.351 1.00 33.32 C ATOM 160 O ASP A 14 16.280 -9.184 17.036 1.00 22.15 O ATOM 161 CB ASP A 14 12.908 -8.639 17.004 1.00 33.03 C ATOM 162 CG ASP A 14 13.067 -9.254 18.381 1.00 23.14 C ATOM 163 OD1 ASP A 14 13.048 -8.498 19.374 1.00 51.02 O ATOM 164 OD2 ASP A 14 13.210 -10.492 18.464 1.00 2.41 O ATOM 0 H ASP A 14 13.041 -7.470 14.839 1.00 30.22 H new ATOM 0 HA ASP A 14 14.603 -7.327 17.146 1.00 40.33 H new ATOM 0 HB2 ASP A 14 12.170 -7.838 17.050 1.00 33.03 H new ATOM 0 HB3 ASP A 14 12.521 -9.391 16.316 1.00 33.03 H new ATOM 169 N LYS A 15 14.983 -10.172 15.486 1.00 34.31 N ATOM 170 CA LYS A 15 15.887 -11.298 15.287 1.00 13.20 C ATOM 171 C LYS A 15 17.242 -10.824 14.770 1.00 21.33 C ATOM 172 O LYS A 15 18.283 -11.359 15.150 1.00 22.12 O ATOM 173 CB LYS A 15 15.277 -12.302 14.306 1.00 13.15 C ATOM 174 CG LYS A 15 14.419 -13.361 14.974 1.00 3.23 C ATOM 175 CD LYS A 15 13.480 -14.026 13.981 1.00 62.44 C ATOM 176 CE LYS A 15 12.277 -14.642 14.678 1.00 21.45 C ATOM 177 NZ LYS A 15 10.994 -14.089 14.161 1.00 14.34 N ATOM 0 H LYS A 15 14.141 -10.201 14.911 1.00 34.31 H new ATOM 0 HA LYS A 15 16.036 -11.786 16.250 1.00 13.20 H new ATOM 0 HB2 LYS A 15 14.672 -11.763 13.577 1.00 13.15 H new ATOM 0 HB3 LYS A 15 16.080 -12.792 13.754 1.00 13.15 H new ATOM 0 HG2 LYS A 15 15.060 -14.115 15.431 1.00 3.23 H new ATOM 0 HG3 LYS A 15 13.839 -12.907 15.777 1.00 3.23 H new ATOM 0 HD2 LYS A 15 13.142 -13.291 13.250 1.00 62.44 H new ATOM 0 HD3 LYS A 15 14.018 -14.798 13.431 1.00 62.44 H new ATOM 0 HE2 LYS A 15 12.290 -15.723 14.537 1.00 21.45 H new ATOM 0 HE3 LYS A 15 12.345 -14.459 15.750 1.00 21.45 H new ATOM 0 HZ1 LYS A 15 10.198 -14.534 14.661 1.00 14.34 H new ATOM 0 HZ2 LYS A 15 10.971 -13.061 14.318 1.00 14.34 H new ATOM 0 HZ3 LYS A 15 10.917 -14.286 13.143 1.00 14.34 H new ATOM 191 N TRP A 16 17.219 -9.817 13.904 1.00 73.41 N ATOM 192 CA TRP A 16 18.446 -9.270 13.336 1.00 40.04 C ATOM 193 C TRP A 16 19.390 -8.796 14.435 1.00 33.15 C ATOM 194 O TRP A 16 20.534 -9.242 14.517 1.00 40.11 O ATOM 195 CB TRP A 16 18.123 -8.113 12.390 1.00 34.25 C ATOM 196 CG TRP A 16 19.342 -7.465 11.806 1.00 71.11 C ATOM 197 CD1 TRP A 16 19.930 -6.305 12.219 1.00 14.34 C ATOM 198 CD2 TRP A 16 20.119 -7.940 10.701 1.00 22.12 C ATOM 199 NE1 TRP A 16 21.028 -6.029 11.438 1.00 24.44 N ATOM 200 CE2 TRP A 16 21.164 -7.018 10.500 1.00 62.04 C ATOM 201 CE3 TRP A 16 20.034 -9.055 9.863 1.00 43.20 C ATOM 202 CZ2 TRP A 16 22.115 -7.179 9.495 1.00 0.52 C ATOM 203 CZ3 TRP A 16 20.979 -9.213 8.867 1.00 63.42 C ATOM 204 CH2 TRP A 16 22.009 -8.279 8.690 1.00 24.30 C ATOM 0 H TRP A 16 16.365 -9.363 13.580 1.00 73.41 H new ATOM 0 HA TRP A 16 18.941 -10.062 12.774 1.00 40.04 H new ATOM 0 HB2 TRP A 16 17.492 -8.480 11.580 1.00 34.25 H new ATOM 0 HB3 TRP A 16 17.545 -7.363 12.929 1.00 34.25 H new ATOM 0 HD1 TRP A 16 19.584 -5.693 13.039 1.00 14.34 H new ATOM 0 HE1 TRP A 16 21.641 -5.220 11.541 1.00 24.44 H new ATOM 0 HE3 TRP A 16 19.244 -9.780 9.991 1.00 43.20 H new ATOM 0 HZ2 TRP A 16 22.909 -6.460 9.356 1.00 0.52 H new ATOM 0 HZ3 TRP A 16 20.923 -10.071 8.214 1.00 63.42 H new ATOM 0 HH2 TRP A 16 22.733 -8.431 7.903 1.00 24.30 H new ATOM 215 N GLU A 17 18.904 -7.890 15.277 1.00 3.12 N ATOM 216 CA GLU A 17 19.707 -7.356 16.371 1.00 1.34 C ATOM 217 C GLU A 17 20.196 -8.475 17.284 1.00 62.13 C ATOM 218 O GLU A 17 21.207 -8.335 17.971 1.00 52.42 O ATOM 219 CB GLU A 17 18.895 -6.341 17.180 1.00 63.23 C ATOM 220 CG GLU A 17 18.902 -4.943 16.585 1.00 24.22 C ATOM 221 CD GLU A 17 18.689 -3.864 17.628 1.00 4.30 C ATOM 222 OE1 GLU A 17 17.540 -3.703 18.090 1.00 14.14 O ATOM 223 OE2 GLU A 17 19.672 -3.181 17.982 1.00 14.20 O ATOM 0 H GLU A 17 17.959 -7.510 15.223 1.00 3.12 H new ATOM 0 HA GLU A 17 20.575 -6.857 15.940 1.00 1.34 H new ATOM 0 HB2 GLU A 17 17.865 -6.690 17.255 1.00 63.23 H new ATOM 0 HB3 GLU A 17 19.291 -6.297 18.194 1.00 63.23 H new ATOM 0 HG2 GLU A 17 19.853 -4.772 16.080 1.00 24.22 H new ATOM 0 HG3 GLU A 17 18.121 -4.871 15.828 1.00 24.22 H new ATOM 230 N LYS A 18 19.471 -9.589 17.287 1.00 30.50 N ATOM 231 CA LYS A 18 19.829 -10.735 18.113 1.00 21.10 C ATOM 232 C LYS A 18 20.950 -11.543 17.467 1.00 52.20 C ATOM 233 O LYS A 18 21.931 -11.896 18.123 1.00 34.54 O ATOM 234 CB LYS A 18 18.608 -11.629 18.341 1.00 34.53 C ATOM 235 CG LYS A 18 18.343 -11.936 19.804 1.00 30.53 C ATOM 236 CD LYS A 18 19.528 -12.633 20.451 1.00 12.31 C ATOM 237 CE LYS A 18 19.078 -13.707 21.429 1.00 61.55 C ATOM 238 NZ LYS A 18 20.223 -14.518 21.928 1.00 22.42 N ATOM 0 H LYS A 18 18.630 -9.722 16.725 1.00 30.50 H new ATOM 0 HA LYS A 18 20.182 -10.361 19.074 1.00 21.10 H new ATOM 0 HB2 LYS A 18 17.729 -11.145 17.915 1.00 34.53 H new ATOM 0 HB3 LYS A 18 18.748 -12.566 17.802 1.00 34.53 H new ATOM 0 HG2 LYS A 18 18.128 -11.010 20.338 1.00 30.53 H new ATOM 0 HG3 LYS A 18 17.458 -12.566 19.890 1.00 30.53 H new ATOM 0 HD2 LYS A 18 20.153 -13.082 19.679 1.00 12.31 H new ATOM 0 HD3 LYS A 18 20.143 -11.899 20.972 1.00 12.31 H new ATOM 0 HE2 LYS A 18 18.569 -13.240 22.272 1.00 61.55 H new ATOM 0 HE3 LYS A 18 18.354 -14.361 20.942 1.00 61.55 H new ATOM 0 HZ1 LYS A 18 19.875 -15.239 22.592 1.00 22.42 H new ATOM 0 HZ2 LYS A 18 20.694 -14.984 21.126 1.00 22.42 H new ATOM 0 HZ3 LYS A 18 20.901 -13.898 22.415 1.00 22.42 H new ATOM 252 N ILE A 19 20.799 -11.830 16.179 1.00 62.14 N ATOM 253 CA ILE A 19 21.800 -12.594 15.444 1.00 4.40 C ATOM 254 C ILE A 19 23.190 -11.994 15.625 1.00 51.11 C ATOM 255 O ILE A 19 23.371 -10.780 15.529 1.00 3.31 O ATOM 256 CB ILE A 19 21.470 -12.655 13.941 1.00 54.25 C ATOM 257 CG1 ILE A 19 20.100 -13.300 13.722 1.00 44.25 C ATOM 258 CG2 ILE A 19 22.549 -13.424 13.193 1.00 52.31 C ATOM 259 CD1 ILE A 19 19.281 -12.629 12.643 1.00 54.25 C ATOM 0 H ILE A 19 19.993 -11.545 15.622 1.00 62.14 H new ATOM 0 HA ILE A 19 21.788 -13.605 15.851 1.00 4.40 H new ATOM 0 HB ILE A 19 21.438 -11.638 13.550 1.00 54.25 H new ATOM 0 HG12 ILE A 19 20.239 -14.349 13.461 1.00 44.25 H new ATOM 0 HG13 ILE A 19 19.542 -13.275 14.658 1.00 44.25 H new ATOM 0 HG21 ILE A 19 22.302 -13.459 12.132 1.00 52.31 H new ATOM 0 HG22 ILE A 19 23.509 -12.926 13.326 1.00 52.31 H new ATOM 0 HG23 ILE A 19 22.610 -14.439 13.585 1.00 52.31 H new ATOM 0 HD11 ILE A 19 18.323 -13.139 12.543 1.00 54.25 H new ATOM 0 HD12 ILE A 19 19.110 -11.586 12.911 1.00 54.25 H new ATOM 0 HD13 ILE A 19 19.818 -12.677 11.696 1.00 54.25 H new ATOM 271 N ARG A 20 24.170 -12.854 15.884 1.00 32.40 N ATOM 272 CA ARG A 20 25.545 -12.409 16.077 1.00 74.01 C ATOM 273 C ARG A 20 26.355 -12.576 14.795 1.00 53.11 C ATOM 274 O ARG A 20 26.058 -13.439 13.967 1.00 21.05 O ATOM 275 CB ARG A 20 26.203 -13.192 17.214 1.00 65.20 C ATOM 276 CG ARG A 20 26.010 -12.558 18.582 1.00 34.20 C ATOM 277 CD ARG A 20 25.779 -13.608 19.657 1.00 52.03 C ATOM 278 NE ARG A 20 25.803 -13.033 20.999 1.00 4.03 N ATOM 279 CZ ARG A 20 25.837 -13.761 22.109 1.00 53.35 C ATOM 280 NH1 ARG A 20 25.854 -15.085 22.039 1.00 22.15 N ATOM 281 NH2 ARG A 20 25.858 -13.165 23.295 1.00 12.24 N ATOM 0 H ARG A 20 24.037 -13.862 15.965 1.00 32.40 H new ATOM 0 HA ARG A 20 25.524 -11.351 16.339 1.00 74.01 H new ATOM 0 HB2 ARG A 20 25.796 -14.203 17.231 1.00 65.20 H new ATOM 0 HB3 ARG A 20 27.270 -13.282 17.012 1.00 65.20 H new ATOM 0 HG2 ARG A 20 26.888 -11.964 18.836 1.00 34.20 H new ATOM 0 HG3 ARG A 20 25.161 -11.875 18.551 1.00 34.20 H new ATOM 0 HD2 ARG A 20 24.818 -14.094 19.488 1.00 52.03 H new ATOM 0 HD3 ARG A 20 26.545 -14.380 19.580 1.00 52.03 H new ATOM 0 HE ARG A 20 25.793 -12.017 21.089 1.00 4.03 H new ATOM 0 HH11 ARG A 20 25.841 -15.548 21.130 1.00 22.15 H new ATOM 0 HH12 ARG A 20 25.880 -15.641 22.894 1.00 22.15 H new ATOM 0 HH21 ARG A 20 25.848 -12.147 23.354 1.00 12.24 H new ATOM 0 HH22 ARG A 20 25.884 -13.725 24.147 1.00 12.24 H new ATOM 295 N LEU A 21 27.381 -11.746 14.636 1.00 43.53 N ATOM 296 CA LEU A 21 28.235 -11.801 13.455 1.00 42.11 C ATOM 297 C LEU A 21 28.938 -13.151 13.354 1.00 23.13 C ATOM 298 O LEU A 21 29.300 -13.593 12.263 1.00 11.42 O ATOM 299 CB LEU A 21 29.270 -10.676 13.498 1.00 73.25 C ATOM 300 CG LEU A 21 28.730 -9.258 13.308 1.00 42.12 C ATOM 301 CD1 LEU A 21 29.859 -8.242 13.380 1.00 40.31 C ATOM 302 CD2 LEU A 21 27.990 -9.142 11.984 1.00 5.44 C ATOM 0 H LEU A 21 27.641 -11.027 15.311 1.00 43.53 H new ATOM 0 HA LEU A 21 27.605 -11.674 12.575 1.00 42.11 H new ATOM 0 HB2 LEU A 21 29.786 -10.721 14.457 1.00 73.25 H new ATOM 0 HB3 LEU A 21 30.015 -10.866 12.726 1.00 73.25 H new ATOM 0 HG LEU A 21 28.027 -9.047 14.114 1.00 42.12 H new ATOM 0 HD11 LEU A 21 29.455 -7.239 13.243 1.00 40.31 H new ATOM 0 HD12 LEU A 21 30.346 -8.307 14.353 1.00 40.31 H new ATOM 0 HD13 LEU A 21 30.587 -8.451 12.596 1.00 40.31 H new ATOM 0 HD21 LEU A 21 27.613 -8.126 11.866 1.00 5.44 H new ATOM 0 HD22 LEU A 21 28.671 -9.374 11.165 1.00 5.44 H new ATOM 0 HD23 LEU A 21 27.155 -9.843 11.971 1.00 5.44 H new ATOM 314 N ARG A 22 29.124 -13.803 14.497 1.00 15.41 N ATOM 315 CA ARG A 22 29.782 -15.103 14.537 1.00 15.34 C ATOM 316 C ARG A 22 29.198 -15.974 15.645 1.00 51.15 C ATOM 317 O ARG A 22 28.577 -15.486 16.589 1.00 64.23 O ATOM 318 CB ARG A 22 31.288 -14.930 14.749 1.00 13.13 C ATOM 319 CG ARG A 22 32.106 -15.110 13.480 1.00 62.12 C ATOM 320 CD ARG A 22 33.583 -15.294 13.791 1.00 45.31 C ATOM 321 NE ARG A 22 34.362 -15.591 12.592 1.00 1.35 N ATOM 322 CZ ARG A 22 35.605 -16.057 12.621 1.00 75.33 C ATOM 323 NH1 ARG A 22 36.208 -16.278 13.782 1.00 35.32 N ATOM 324 NH2 ARG A 22 36.250 -16.303 11.487 1.00 3.10 N ATOM 0 H ARG A 22 28.828 -13.452 15.408 1.00 15.41 H new ATOM 0 HA ARG A 22 29.611 -15.598 13.581 1.00 15.34 H new ATOM 0 HB2 ARG A 22 31.477 -13.937 15.156 1.00 13.13 H new ATOM 0 HB3 ARG A 22 31.627 -15.649 15.495 1.00 13.13 H new ATOM 0 HG2 ARG A 22 31.739 -15.975 12.929 1.00 62.12 H new ATOM 0 HG3 ARG A 22 31.974 -14.242 12.835 1.00 62.12 H new ATOM 0 HD2 ARG A 22 33.970 -14.389 14.260 1.00 45.31 H new ATOM 0 HD3 ARG A 22 33.704 -16.103 14.511 1.00 45.31 H new ATOM 0 HE ARG A 22 33.928 -15.432 11.683 1.00 1.35 H new ATOM 0 HH11 ARG A 22 35.717 -16.090 14.656 1.00 35.32 H new ATOM 0 HH12 ARG A 22 37.163 -16.636 13.801 1.00 35.32 H new ATOM 0 HH21 ARG A 22 35.791 -16.134 10.592 1.00 3.10 H new ATOM 0 HH22 ARG A 22 37.205 -16.661 11.511 1.00 3.10 H new ATOM 338 N PRO A 23 29.402 -17.295 15.529 1.00 34.22 N ATOM 339 CA PRO A 23 28.903 -18.261 16.511 1.00 51.44 C ATOM 340 C PRO A 23 29.640 -18.166 17.844 1.00 31.12 C ATOM 341 O PRO A 23 29.058 -18.392 18.904 1.00 71.24 O ATOM 342 CB PRO A 23 29.174 -19.614 15.847 1.00 23.23 C ATOM 343 CG PRO A 23 30.307 -19.358 14.915 1.00 30.40 C ATOM 344 CD PRO A 23 30.134 -17.946 14.429 1.00 41.41 C ATOM 0 HA PRO A 23 27.854 -18.091 16.753 1.00 51.44 H new ATOM 0 HB2 PRO A 23 29.433 -20.373 16.586 1.00 23.23 H new ATOM 0 HB3 PRO A 23 28.296 -19.976 15.312 1.00 23.23 H new ATOM 0 HG2 PRO A 23 31.264 -19.482 15.422 1.00 30.40 H new ATOM 0 HG3 PRO A 23 30.294 -20.061 14.082 1.00 30.40 H new ATOM 0 HD2 PRO A 23 31.094 -17.464 14.244 1.00 41.41 H new ATOM 0 HD3 PRO A 23 29.573 -17.908 13.495 1.00 41.41 H new ATOM 352 N GLY A 24 30.925 -17.829 17.781 1.00 40.34 N ATOM 353 CA GLY A 24 31.719 -17.709 18.990 1.00 53.24 C ATOM 354 C GLY A 24 32.018 -16.267 19.346 1.00 51.53 C ATOM 355 O GLY A 24 32.948 -15.987 20.103 1.00 30.11 O ATOM 0 H GLY A 24 31.430 -17.637 16.916 1.00 40.34 H new ATOM 0 HA2 GLY A 24 31.190 -18.182 19.817 1.00 53.24 H new ATOM 0 HA3 GLY A 24 32.656 -18.250 18.861 1.00 53.24 H new ATOM 359 N GLY A 25 31.229 -15.347 18.800 1.00 1.31 N ATOM 360 CA GLY A 25 31.431 -13.937 19.076 1.00 30.41 C ATOM 361 C GLY A 25 30.296 -13.335 19.881 1.00 74.43 C ATOM 362 O GLY A 25 29.295 -13.998 20.149 1.00 72.52 O ATOM 0 H GLY A 25 30.453 -15.553 18.171 1.00 1.31 H new ATOM 0 HA2 GLY A 25 32.367 -13.807 19.620 1.00 30.41 H new ATOM 0 HA3 GLY A 25 31.531 -13.396 18.135 1.00 30.41 H new ATOM 366 N LYS A 26 30.454 -12.074 20.270 1.00 22.00 N ATOM 367 CA LYS A 26 29.435 -11.381 21.050 1.00 54.34 C ATOM 368 C LYS A 26 28.861 -10.202 20.271 1.00 70.54 C ATOM 369 O LYS A 26 27.725 -9.787 20.500 1.00 43.25 O ATOM 370 CB LYS A 26 30.024 -10.892 22.376 1.00 61.42 C ATOM 371 CG LYS A 26 28.974 -10.472 23.390 1.00 21.22 C ATOM 372 CD LYS A 26 29.252 -9.082 23.937 1.00 64.34 C ATOM 373 CE LYS A 26 28.052 -8.531 24.693 1.00 34.33 C ATOM 374 NZ LYS A 26 26.848 -8.426 23.823 1.00 75.22 N ATOM 0 H LYS A 26 31.278 -11.511 20.058 1.00 22.00 H new ATOM 0 HA LYS A 26 28.628 -12.085 21.255 1.00 54.34 H new ATOM 0 HB2 LYS A 26 30.636 -11.685 22.806 1.00 61.42 H new ATOM 0 HB3 LYS A 26 30.686 -10.049 22.181 1.00 61.42 H new ATOM 0 HG2 LYS A 26 27.989 -10.490 22.924 1.00 21.22 H new ATOM 0 HG3 LYS A 26 28.952 -11.189 24.211 1.00 21.22 H new ATOM 0 HD2 LYS A 26 30.117 -9.117 24.600 1.00 64.34 H new ATOM 0 HD3 LYS A 26 29.506 -8.411 23.117 1.00 64.34 H new ATOM 0 HE2 LYS A 26 27.831 -9.177 25.543 1.00 34.33 H new ATOM 0 HE3 LYS A 26 28.296 -7.548 25.095 1.00 34.33 H new ATOM 0 HZ1 LYS A 26 26.188 -7.731 24.226 1.00 75.22 H new ATOM 0 HZ2 LYS A 26 27.133 -8.120 22.871 1.00 75.22 H new ATOM 0 HZ3 LYS A 26 26.381 -9.353 23.763 1.00 75.22 H new ATOM 388 N LYS A 27 29.652 -9.668 19.347 1.00 51.22 N ATOM 389 CA LYS A 27 29.223 -8.538 18.531 1.00 42.03 C ATOM 390 C LYS A 27 27.939 -8.870 17.778 1.00 21.43 C ATOM 391 O LYS A 27 27.971 -9.530 16.739 1.00 52.13 O ATOM 392 CB LYS A 27 30.323 -8.151 17.542 1.00 33.52 C ATOM 393 CG LYS A 27 30.476 -6.650 17.359 1.00 23.14 C ATOM 394 CD LYS A 27 31.108 -6.313 16.019 1.00 52.33 C ATOM 395 CE LYS A 27 32.231 -5.298 16.173 1.00 22.21 C ATOM 396 NZ LYS A 27 32.285 -4.353 15.023 1.00 72.23 N ATOM 0 H LYS A 27 30.595 -10.000 19.144 1.00 51.22 H new ATOM 0 HA LYS A 27 29.027 -7.695 19.194 1.00 42.03 H new ATOM 0 HB2 LYS A 27 31.271 -8.565 17.885 1.00 33.52 H new ATOM 0 HB3 LYS A 27 30.108 -8.606 16.575 1.00 33.52 H new ATOM 0 HG2 LYS A 27 29.499 -6.172 17.432 1.00 23.14 H new ATOM 0 HG3 LYS A 27 31.090 -6.245 18.164 1.00 23.14 H new ATOM 0 HD2 LYS A 27 31.498 -7.222 15.560 1.00 52.33 H new ATOM 0 HD3 LYS A 27 30.348 -5.917 15.346 1.00 52.33 H new ATOM 0 HE2 LYS A 27 32.090 -4.738 17.097 1.00 22.21 H new ATOM 0 HE3 LYS A 27 33.184 -5.820 16.259 1.00 22.21 H new ATOM 0 HZ1 LYS A 27 33.041 -3.657 15.181 1.00 72.23 H new ATOM 0 HZ2 LYS A 27 32.478 -4.881 14.148 1.00 72.23 H new ATOM 0 HZ3 LYS A 27 31.373 -3.860 14.935 1.00 72.23 H new ATOM 410 N GLN A 28 26.811 -8.406 18.305 1.00 44.03 N ATOM 411 CA GLN A 28 25.517 -8.654 17.680 1.00 2.41 C ATOM 412 C GLN A 28 25.383 -7.871 16.379 1.00 1.44 C ATOM 413 O GLN A 28 26.187 -6.985 16.090 1.00 75.24 O ATOM 414 CB GLN A 28 24.384 -8.275 18.637 1.00 11.22 C ATOM 415 CG GLN A 28 24.594 -8.776 20.057 1.00 64.40 C ATOM 416 CD GLN A 28 25.036 -7.679 21.004 1.00 55.31 C ATOM 417 OE1 GLN A 28 25.925 -6.887 20.684 1.00 64.33 O ATOM 418 NE2 GLN A 28 24.418 -7.625 22.177 1.00 10.22 N ATOM 0 H GLN A 28 26.767 -7.856 19.163 1.00 44.03 H new ATOM 0 HA GLN A 28 25.449 -9.718 17.451 1.00 2.41 H new ATOM 0 HB2 GLN A 28 24.282 -7.190 18.655 1.00 11.22 H new ATOM 0 HB3 GLN A 28 23.446 -8.677 18.254 1.00 11.22 H new ATOM 0 HG2 GLN A 28 23.666 -9.215 20.424 1.00 64.40 H new ATOM 0 HG3 GLN A 28 25.342 -9.569 20.051 1.00 64.40 H new ATOM 0 HE21 GLN A 28 23.688 -8.301 22.400 1.00 10.22 H new ATOM 0 HE22 GLN A 28 24.673 -6.907 22.855 1.00 10.22 H new ATOM 427 N TYR A 29 24.361 -8.201 15.598 1.00 64.41 N ATOM 428 CA TYR A 29 24.122 -7.531 14.325 1.00 0.41 C ATOM 429 C TYR A 29 23.432 -6.187 14.539 1.00 60.32 C ATOM 430 O TYR A 29 22.650 -6.018 15.474 1.00 42.33 O ATOM 431 CB TYR A 29 23.272 -8.414 13.411 1.00 10.32 C ATOM 432 CG TYR A 29 24.071 -9.127 12.342 1.00 11.43 C ATOM 433 CD1 TYR A 29 24.501 -8.453 11.205 1.00 61.21 C ATOM 434 CD2 TYR A 29 24.395 -10.471 12.470 1.00 4.13 C ATOM 435 CE1 TYR A 29 25.230 -9.100 10.227 1.00 32.41 C ATOM 436 CE2 TYR A 29 25.125 -11.125 11.496 1.00 4.52 C ATOM 437 CZ TYR A 29 25.541 -10.435 10.376 1.00 5.22 C ATOM 438 OH TYR A 29 26.266 -11.084 9.404 1.00 53.11 O ATOM 0 H TYR A 29 23.684 -8.929 15.824 1.00 64.41 H new ATOM 0 HA TYR A 29 25.087 -7.353 13.850 1.00 0.41 H new ATOM 0 HB2 TYR A 29 22.751 -9.155 14.018 1.00 10.32 H new ATOM 0 HB3 TYR A 29 22.509 -7.799 12.933 1.00 10.32 H new ATOM 0 HD1 TYR A 29 24.261 -7.407 11.085 1.00 61.21 H new ATOM 0 HD2 TYR A 29 24.071 -11.014 13.345 1.00 4.13 H new ATOM 0 HE1 TYR A 29 25.555 -8.562 9.349 1.00 32.41 H new ATOM 0 HE2 TYR A 29 25.369 -12.171 11.611 1.00 4.52 H new ATOM 0 HH TYR A 29 26.641 -11.911 9.773 1.00 53.11 H new ATOM 448 N LYS A 30 23.727 -5.233 13.662 1.00 11.31 N ATOM 449 CA LYS A 30 23.135 -3.903 13.751 1.00 30.30 C ATOM 450 C LYS A 30 22.979 -3.284 12.365 1.00 63.12 C ATOM 451 O LYS A 30 23.534 -3.783 11.385 1.00 50.50 O ATOM 452 CB LYS A 30 23.997 -2.996 14.632 1.00 50.01 C ATOM 453 CG LYS A 30 23.196 -2.172 15.624 1.00 12.45 C ATOM 454 CD LYS A 30 23.271 -2.756 17.024 1.00 44.11 C ATOM 455 CE LYS A 30 22.892 -1.728 18.079 1.00 62.43 C ATOM 456 NZ LYS A 30 23.354 -2.130 19.437 1.00 71.32 N ATOM 0 H LYS A 30 24.372 -5.356 12.882 1.00 11.31 H new ATOM 0 HA LYS A 30 22.147 -4.002 14.200 1.00 30.30 H new ATOM 0 HB2 LYS A 30 24.715 -3.609 15.177 1.00 50.01 H new ATOM 0 HB3 LYS A 30 24.571 -2.324 13.995 1.00 50.01 H new ATOM 0 HG2 LYS A 30 23.572 -1.149 15.635 1.00 12.45 H new ATOM 0 HG3 LYS A 30 22.155 -2.126 15.303 1.00 12.45 H new ATOM 0 HD2 LYS A 30 22.605 -3.616 17.097 1.00 44.11 H new ATOM 0 HD3 LYS A 30 24.281 -3.118 17.214 1.00 44.11 H new ATOM 0 HE2 LYS A 30 23.327 -0.763 17.818 1.00 62.43 H new ATOM 0 HE3 LYS A 30 21.810 -1.598 18.087 1.00 62.43 H new ATOM 0 HZ1 LYS A 30 23.076 -1.403 20.127 1.00 71.32 H new ATOM 0 HZ2 LYS A 30 22.919 -3.038 19.697 1.00 71.32 H new ATOM 0 HZ3 LYS A 30 24.389 -2.229 19.436 1.00 71.32 H new ATOM 470 N LEU A 31 22.222 -2.194 12.291 1.00 44.04 N ATOM 471 CA LEU A 31 21.993 -1.506 11.025 1.00 54.25 C ATOM 472 C LEU A 31 23.315 -1.188 10.333 1.00 13.31 C ATOM 473 O LEU A 31 23.386 -1.123 9.106 1.00 60.22 O ATOM 474 CB LEU A 31 21.203 -0.218 11.259 1.00 33.25 C ATOM 475 CG LEU A 31 19.972 -0.017 10.373 1.00 51.54 C ATOM 476 CD1 LEU A 31 18.740 -0.622 11.028 1.00 24.23 C ATOM 477 CD2 LEU A 31 19.756 1.462 10.090 1.00 12.14 C ATOM 0 H LEU A 31 21.757 -1.768 13.093 1.00 44.04 H new ATOM 0 HA LEU A 31 21.415 -2.166 10.378 1.00 54.25 H new ATOM 0 HB2 LEU A 31 20.884 -0.195 12.301 1.00 33.25 H new ATOM 0 HB3 LEU A 31 21.874 0.628 11.112 1.00 33.25 H new ATOM 0 HG LEU A 31 20.142 -0.527 9.425 1.00 51.54 H new ATOM 0 HD11 LEU A 31 17.874 -0.470 10.384 1.00 24.23 H new ATOM 0 HD12 LEU A 31 18.896 -1.690 11.180 1.00 24.23 H new ATOM 0 HD13 LEU A 31 18.566 -0.140 11.990 1.00 24.23 H new ATOM 0 HD21 LEU A 31 18.876 1.587 9.459 1.00 12.14 H new ATOM 0 HD22 LEU A 31 19.607 1.994 11.029 1.00 12.14 H new ATOM 0 HD23 LEU A 31 20.630 1.866 9.579 1.00 12.14 H new ATOM 489 N LYS A 32 24.362 -0.990 11.129 1.00 64.51 N ATOM 490 CA LYS A 32 25.682 -0.682 10.593 1.00 45.24 C ATOM 491 C LYS A 32 26.091 -1.697 9.532 1.00 65.51 C ATOM 492 O LYS A 32 26.700 -1.344 8.522 1.00 73.12 O ATOM 493 CB LYS A 32 26.719 -0.661 11.719 1.00 44.21 C ATOM 494 CG LYS A 32 27.331 0.708 11.957 1.00 54.01 C ATOM 495 CD LYS A 32 27.488 0.999 13.440 1.00 62.14 C ATOM 496 CE LYS A 32 26.390 1.922 13.946 1.00 72.24 C ATOM 497 NZ LYS A 32 26.906 3.287 14.243 1.00 65.14 N ATOM 0 H LYS A 32 24.321 -1.038 12.147 1.00 64.51 H new ATOM 0 HA LYS A 32 25.636 0.303 10.129 1.00 45.24 H new ATOM 0 HB2 LYS A 32 26.249 -1.005 12.641 1.00 44.21 H new ATOM 0 HB3 LYS A 32 27.514 -1.369 11.483 1.00 44.21 H new ATOM 0 HG2 LYS A 32 28.305 0.762 11.470 1.00 54.01 H new ATOM 0 HG3 LYS A 32 26.703 1.473 11.500 1.00 54.01 H new ATOM 0 HD2 LYS A 32 27.465 0.064 14.000 1.00 62.14 H new ATOM 0 HD3 LYS A 32 28.461 1.456 13.621 1.00 62.14 H new ATOM 0 HE2 LYS A 32 25.598 1.987 13.200 1.00 72.24 H new ATOM 0 HE3 LYS A 32 25.945 1.498 14.846 1.00 72.24 H new ATOM 0 HZ1 LYS A 32 26.127 3.886 14.585 1.00 65.14 H new ATOM 0 HZ2 LYS A 32 27.644 3.228 14.973 1.00 65.14 H new ATOM 0 HZ3 LYS A 32 27.307 3.702 13.378 1.00 65.14 H new ATOM 511 N HIS A 33 25.749 -2.961 9.764 1.00 43.41 N ATOM 512 CA HIS A 33 26.077 -4.028 8.826 1.00 52.44 C ATOM 513 C HIS A 33 25.141 -3.999 7.621 1.00 15.42 C ATOM 514 O HIS A 33 25.619 -4.304 6.527 1.00 13.01 O ATOM 515 CB HIS A 33 25.992 -5.390 9.518 1.00 30.13 C ATOM 516 CG HIS A 33 26.698 -5.435 10.838 1.00 42.54 C ATOM 517 ND1 HIS A 33 26.085 -5.839 12.006 1.00 73.32 N ATOM 518 CD2 HIS A 33 27.973 -5.125 11.172 1.00 64.52 C ATOM 519 CE1 HIS A 33 26.953 -5.776 13.000 1.00 53.41 C ATOM 520 NE2 HIS A 33 28.106 -5.345 12.520 1.00 71.41 N ATOM 0 H HIS A 33 25.244 -3.271 10.595 1.00 43.41 H new ATOM 0 HA HIS A 33 27.097 -3.869 8.477 1.00 52.44 H new ATOM 0 HB2 HIS A 33 24.944 -5.648 9.667 1.00 30.13 H new ATOM 0 HB3 HIS A 33 26.417 -6.149 8.862 1.00 30.13 H new ATOM 0 HD2 HIS A 33 28.742 -4.770 10.502 1.00 64.52 H new ATOM 0 HE1 HIS A 33 26.754 -6.033 14.030 1.00 53.41 H new ATOM 0 HE2 HIS A 33 28.957 -5.199 13.063 1.00 71.41 H new ATOM 528 N ILE A 34 23.870 -3.651 7.785 1.00 25.44 N ATOM 529 CA ILE A 34 22.940 -3.607 6.662 1.00 4.31 C ATOM 530 C ILE A 34 23.309 -2.496 5.686 1.00 10.34 C ATOM 531 O ILE A 34 23.176 -2.651 4.473 1.00 22.41 O ATOM 532 CB ILE A 34 21.491 -3.395 7.140 1.00 62.14 C ATOM 533 CG1 ILE A 34 21.140 -4.403 8.237 1.00 72.14 C ATOM 534 CG2 ILE A 34 20.525 -3.518 5.972 1.00 73.10 C ATOM 535 CD1 ILE A 34 19.754 -4.211 8.812 1.00 44.22 C ATOM 0 H ILE A 34 23.460 -3.395 8.683 1.00 25.44 H new ATOM 0 HA ILE A 34 23.010 -4.570 6.156 1.00 4.31 H new ATOM 0 HB ILE A 34 21.404 -2.391 7.554 1.00 62.14 H new ATOM 0 HG12 ILE A 34 21.220 -5.412 7.832 1.00 72.14 H new ATOM 0 HG13 ILE A 34 21.872 -4.323 9.040 1.00 72.14 H new ATOM 0 HG21 ILE A 34 19.505 -3.366 6.326 1.00 73.10 H new ATOM 0 HG22 ILE A 34 20.765 -2.765 5.221 1.00 73.10 H new ATOM 0 HG23 ILE A 34 20.612 -4.511 5.531 1.00 73.10 H new ATOM 0 HD11 ILE A 34 19.573 -4.960 9.583 1.00 44.22 H new ATOM 0 HD12 ILE A 34 19.676 -3.215 9.247 1.00 44.22 H new ATOM 0 HD13 ILE A 34 19.013 -4.320 8.020 1.00 44.22 H new ATOM 547 N VAL A 35 23.776 -1.374 6.224 1.00 2.45 N ATOM 548 CA VAL A 35 24.168 -0.236 5.401 1.00 11.10 C ATOM 549 C VAL A 35 25.583 -0.409 4.861 1.00 51.24 C ATOM 550 O VAL A 35 25.874 -0.040 3.723 1.00 41.41 O ATOM 551 CB VAL A 35 24.090 1.083 6.192 1.00 22.31 C ATOM 552 CG1 VAL A 35 24.534 2.252 5.326 1.00 55.30 C ATOM 553 CG2 VAL A 35 22.681 1.305 6.720 1.00 22.32 C ATOM 0 H VAL A 35 23.892 -1.229 7.227 1.00 2.45 H new ATOM 0 HA VAL A 35 23.467 -0.193 4.567 1.00 11.10 H new ATOM 0 HB VAL A 35 24.766 1.016 7.044 1.00 22.31 H new ATOM 0 HG11 VAL A 35 24.472 3.175 5.902 1.00 55.30 H new ATOM 0 HG12 VAL A 35 25.563 2.095 5.002 1.00 55.30 H new ATOM 0 HG13 VAL A 35 23.886 2.325 4.453 1.00 55.30 H new ATOM 0 HG21 VAL A 35 22.644 2.242 7.276 1.00 22.32 H new ATOM 0 HG22 VAL A 35 21.983 1.352 5.885 1.00 22.32 H new ATOM 0 HG23 VAL A 35 22.405 0.481 7.378 1.00 22.32 H new ATOM 563 N TRP A 36 26.458 -0.974 5.685 1.00 55.34 N ATOM 564 CA TRP A 36 27.845 -1.198 5.291 1.00 70.31 C ATOM 565 C TRP A 36 27.920 -2.020 4.008 1.00 0.30 C ATOM 566 O TRP A 36 28.818 -1.828 3.189 1.00 35.25 O ATOM 567 CB TRP A 36 28.608 -1.906 6.411 1.00 43.25 C ATOM 568 CG TRP A 36 29.999 -2.306 6.022 1.00 62.33 C ATOM 569 CD1 TRP A 36 31.156 -1.649 6.329 1.00 72.03 C ATOM 570 CD2 TRP A 36 30.378 -3.452 5.252 1.00 32.43 C ATOM 571 NE1 TRP A 36 32.232 -2.318 5.796 1.00 44.54 N ATOM 572 CE2 TRP A 36 31.781 -3.428 5.131 1.00 4.41 C ATOM 573 CE3 TRP A 36 29.668 -4.497 4.654 1.00 2.00 C ATOM 574 CZ2 TRP A 36 32.485 -4.408 4.437 1.00 61.10 C ATOM 575 CZ3 TRP A 36 30.369 -5.469 3.965 1.00 2.12 C ATOM 576 CH2 TRP A 36 31.765 -5.420 3.861 1.00 0.53 C ATOM 0 H TRP A 36 26.232 -1.285 6.630 1.00 55.34 H new ATOM 0 HA TRP A 36 28.305 -0.227 5.106 1.00 70.31 H new ATOM 0 HB2 TRP A 36 28.656 -1.249 7.280 1.00 43.25 H new ATOM 0 HB3 TRP A 36 28.053 -2.794 6.713 1.00 43.25 H new ATOM 0 HD1 TRP A 36 31.217 -0.738 6.906 1.00 72.03 H new ATOM 0 HE1 TRP A 36 33.208 -2.034 5.882 1.00 44.54 H new ATOM 0 HE3 TRP A 36 28.592 -4.544 4.729 1.00 2.00 H new ATOM 0 HZ2 TRP A 36 33.561 -4.371 4.356 1.00 61.10 H new ATOM 0 HZ3 TRP A 36 29.831 -6.281 3.499 1.00 2.12 H new ATOM 0 HH2 TRP A 36 32.283 -6.195 3.316 1.00 0.53 H new ATOM 587 N ALA A 37 26.972 -2.936 3.842 1.00 60.24 N ATOM 588 CA ALA A 37 26.931 -3.786 2.658 1.00 43.31 C ATOM 589 C ALA A 37 26.395 -3.022 1.453 1.00 31.20 C ATOM 590 O ALA A 37 26.908 -3.156 0.342 1.00 75.35 O ATOM 591 CB ALA A 37 26.081 -5.020 2.924 1.00 61.31 C ATOM 0 H ALA A 37 26.222 -3.109 4.512 1.00 60.24 H new ATOM 0 HA ALA A 37 27.949 -4.102 2.431 1.00 43.31 H new ATOM 0 HB1 ALA A 37 26.059 -5.646 2.032 1.00 61.31 H new ATOM 0 HB2 ALA A 37 26.508 -5.584 3.753 1.00 61.31 H new ATOM 0 HB3 ALA A 37 25.066 -4.715 3.178 1.00 61.31 H new ATOM 597 N SER A 38 25.359 -2.220 1.679 1.00 30.32 N ATOM 598 CA SER A 38 24.750 -1.438 0.609 1.00 72.01 C ATOM 599 C SER A 38 25.781 -0.526 -0.051 1.00 64.21 C ATOM 600 O SER A 38 25.780 -0.350 -1.270 1.00 4.32 O ATOM 601 CB SER A 38 23.591 -0.603 1.155 1.00 44.53 C ATOM 602 OG SER A 38 22.377 -1.335 1.127 1.00 74.42 O ATOM 0 H SER A 38 24.924 -2.095 2.593 1.00 30.32 H new ATOM 0 HA SER A 38 24.368 -2.130 -0.141 1.00 72.01 H new ATOM 0 HB2 SER A 38 23.810 -0.295 2.177 1.00 44.53 H new ATOM 0 HB3 SER A 38 23.484 0.307 0.564 1.00 44.53 H new ATOM 0 HG SER A 38 21.652 -0.780 1.483 1.00 74.42 H new ATOM 608 N ARG A 39 26.658 0.050 0.763 1.00 35.20 N ATOM 609 CA ARG A 39 27.694 0.945 0.259 1.00 71.35 C ATOM 610 C ARG A 39 28.723 0.176 -0.566 1.00 42.21 C ATOM 611 O ARG A 39 29.373 0.740 -1.445 1.00 62.32 O ATOM 612 CB ARG A 39 28.387 1.662 1.419 1.00 11.20 C ATOM 613 CG ARG A 39 28.275 3.176 1.353 1.00 10.12 C ATOM 614 CD ARG A 39 29.599 3.847 1.684 1.00 12.15 C ATOM 615 NE ARG A 39 29.432 4.952 2.625 1.00 74.34 N ATOM 616 CZ ARG A 39 30.414 5.777 2.970 1.00 11.23 C ATOM 617 NH1 ARG A 39 31.626 5.624 2.454 1.00 35.44 N ATOM 618 NH2 ARG A 39 30.185 6.759 3.833 1.00 62.43 N ATOM 0 H ARG A 39 26.673 -0.086 1.774 1.00 35.20 H new ATOM 0 HA ARG A 39 27.218 1.685 -0.384 1.00 71.35 H new ATOM 0 HB2 ARG A 39 27.957 1.315 2.358 1.00 11.20 H new ATOM 0 HB3 ARG A 39 29.441 1.384 1.429 1.00 11.20 H new ATOM 0 HG2 ARG A 39 27.954 3.475 0.355 1.00 10.12 H new ATOM 0 HG3 ARG A 39 27.509 3.516 2.050 1.00 10.12 H new ATOM 0 HD2 ARG A 39 30.283 3.111 2.107 1.00 12.15 H new ATOM 0 HD3 ARG A 39 30.057 4.218 0.767 1.00 12.15 H new ATOM 0 HE ARG A 39 28.511 5.098 3.039 1.00 74.34 H new ATOM 0 HH11 ARG A 39 31.806 4.871 1.790 1.00 35.44 H new ATOM 0 HH12 ARG A 39 32.378 6.259 2.721 1.00 35.44 H new ATOM 0 HH21 ARG A 39 29.254 6.881 4.232 1.00 62.43 H new ATOM 0 HH22 ARG A 39 30.940 7.392 4.097 1.00 62.43 H new ATOM 632 N GLU A 40 28.864 -1.113 -0.273 1.00 74.01 N ATOM 633 CA GLU A 40 29.815 -1.958 -0.987 1.00 3.34 C ATOM 634 C GLU A 40 29.185 -2.538 -2.250 1.00 74.11 C ATOM 635 O GLU A 40 29.880 -2.846 -3.219 1.00 33.11 O ATOM 636 CB GLU A 40 30.305 -3.090 -0.081 1.00 30.50 C ATOM 637 CG GLU A 40 31.743 -3.502 -0.346 1.00 71.12 C ATOM 638 CD GLU A 40 31.933 -4.105 -1.725 1.00 43.01 C ATOM 639 OE1 GLU A 40 31.573 -5.286 -1.911 1.00 53.43 O ATOM 640 OE2 GLU A 40 32.440 -3.394 -2.618 1.00 43.35 O ATOM 0 H GLU A 40 28.333 -1.595 0.453 1.00 74.01 H new ATOM 0 HA GLU A 40 30.665 -1.341 -1.277 1.00 3.34 H new ATOM 0 HB2 GLU A 40 30.211 -2.778 0.959 1.00 30.50 H new ATOM 0 HB3 GLU A 40 29.657 -3.957 -0.214 1.00 30.50 H new ATOM 0 HG2 GLU A 40 32.391 -2.632 -0.242 1.00 71.12 H new ATOM 0 HG3 GLU A 40 32.055 -4.224 0.408 1.00 71.12 H new ATOM 647 N LEU A 41 27.865 -2.686 -2.232 1.00 2.34 N ATOM 648 CA LEU A 41 27.140 -3.231 -3.374 1.00 30.23 C ATOM 649 C LEU A 41 27.194 -2.272 -4.560 1.00 2.11 C ATOM 650 O LEU A 41 27.493 -2.676 -5.683 1.00 24.04 O ATOM 651 CB LEU A 41 25.684 -3.509 -2.994 1.00 75.52 C ATOM 652 CG LEU A 41 25.388 -4.910 -2.458 1.00 20.21 C ATOM 653 CD1 LEU A 41 23.943 -5.007 -1.992 1.00 71.42 C ATOM 654 CD2 LEU A 41 25.680 -5.961 -3.519 1.00 11.02 C ATOM 0 H LEU A 41 27.275 -2.436 -1.439 1.00 2.34 H new ATOM 0 HA LEU A 41 27.618 -4.167 -3.664 1.00 30.23 H new ATOM 0 HB2 LEU A 41 25.380 -2.782 -2.241 1.00 75.52 H new ATOM 0 HB3 LEU A 41 25.061 -3.338 -3.872 1.00 75.52 H new ATOM 0 HG LEU A 41 26.038 -5.097 -1.603 1.00 20.21 H new ATOM 0 HD11 LEU A 41 23.749 -6.011 -1.614 1.00 71.42 H new ATOM 0 HD12 LEU A 41 23.767 -4.280 -1.199 1.00 71.42 H new ATOM 0 HD13 LEU A 41 23.276 -4.800 -2.829 1.00 71.42 H new ATOM 0 HD21 LEU A 41 25.463 -6.952 -3.119 1.00 11.02 H new ATOM 0 HD22 LEU A 41 25.056 -5.778 -4.394 1.00 11.02 H new ATOM 0 HD23 LEU A 41 26.730 -5.907 -3.805 1.00 11.02 H new ATOM 666 N GLU A 42 26.904 -1.001 -4.300 1.00 22.21 N ATOM 667 CA GLU A 42 26.920 0.015 -5.346 1.00 54.03 C ATOM 668 C GLU A 42 28.275 0.050 -6.049 1.00 23.31 C ATOM 669 O GLU A 42 28.373 0.454 -7.207 1.00 73.13 O ATOM 670 CB GLU A 42 26.603 1.391 -4.757 1.00 54.31 C ATOM 671 CG GLU A 42 25.201 1.881 -5.075 1.00 13.54 C ATOM 672 CD GLU A 42 25.196 3.041 -6.051 1.00 33.43 C ATOM 673 OE1 GLU A 42 25.987 3.988 -5.854 1.00 23.30 O ATOM 674 OE2 GLU A 42 24.401 3.002 -7.013 1.00 33.32 O ATOM 0 H GLU A 42 26.655 -0.651 -3.375 1.00 22.21 H new ATOM 0 HA GLU A 42 26.156 -0.243 -6.079 1.00 54.03 H new ATOM 0 HB2 GLU A 42 26.728 1.351 -3.675 1.00 54.31 H new ATOM 0 HB3 GLU A 42 27.326 2.114 -5.135 1.00 54.31 H new ATOM 0 HG2 GLU A 42 24.618 1.059 -5.491 1.00 13.54 H new ATOM 0 HG3 GLU A 42 24.709 2.186 -4.152 1.00 13.54 H new ATOM 681 N ARG A 43 29.314 -0.376 -5.339 1.00 22.34 N ATOM 682 CA ARG A 43 30.662 -0.392 -5.893 1.00 32.25 C ATOM 683 C ARG A 43 30.818 -1.517 -6.912 1.00 30.54 C ATOM 684 O ARG A 43 31.639 -1.431 -7.826 1.00 23.42 O ATOM 685 CB ARG A 43 31.694 -0.557 -4.775 1.00 71.31 C ATOM 686 CG ARG A 43 32.839 0.439 -4.853 1.00 75.15 C ATOM 687 CD ARG A 43 34.089 -0.195 -5.446 1.00 31.33 C ATOM 688 NE ARG A 43 35.016 0.806 -5.967 1.00 54.03 N ATOM 689 CZ ARG A 43 35.807 1.546 -5.198 1.00 64.22 C ATOM 690 NH1 ARG A 43 35.784 1.398 -3.881 1.00 42.32 N ATOM 691 NH2 ARG A 43 36.624 2.436 -5.746 1.00 61.11 N ATOM 0 H ARG A 43 29.248 -0.715 -4.379 1.00 22.34 H new ATOM 0 HA ARG A 43 30.831 0.559 -6.398 1.00 32.25 H new ATOM 0 HB2 ARG A 43 31.195 -0.449 -3.812 1.00 71.31 H new ATOM 0 HB3 ARG A 43 32.100 -1.568 -4.812 1.00 71.31 H new ATOM 0 HG2 ARG A 43 32.539 1.293 -5.461 1.00 75.15 H new ATOM 0 HG3 ARG A 43 33.061 0.819 -3.856 1.00 75.15 H new ATOM 0 HD2 ARG A 43 34.590 -0.791 -4.683 1.00 31.33 H new ATOM 0 HD3 ARG A 43 33.804 -0.877 -6.247 1.00 31.33 H new ATOM 0 HE ARG A 43 35.058 0.945 -6.977 1.00 54.03 H new ATOM 0 HH11 ARG A 43 35.158 0.714 -3.455 1.00 42.32 H new ATOM 0 HH12 ARG A 43 36.393 1.968 -3.293 1.00 42.32 H new ATOM 0 HH21 ARG A 43 36.645 2.553 -6.759 1.00 61.11 H new ATOM 0 HH22 ARG A 43 37.231 3.004 -5.154 1.00 61.11 H new ATOM 705 N PHE A 44 30.024 -2.570 -6.750 1.00 11.24 N ATOM 706 CA PHE A 44 30.074 -3.712 -7.655 1.00 3.25 C ATOM 707 C PHE A 44 29.007 -3.593 -8.740 1.00 73.32 C ATOM 708 O PHE A 44 28.552 -4.596 -9.289 1.00 3.02 O ATOM 709 CB PHE A 44 29.882 -5.015 -6.877 1.00 44.13 C ATOM 710 CG PHE A 44 31.154 -5.553 -6.284 1.00 12.25 C ATOM 711 CD1 PHE A 44 31.915 -4.776 -5.426 1.00 41.52 C ATOM 712 CD2 PHE A 44 31.588 -6.833 -6.587 1.00 3.44 C ATOM 713 CE1 PHE A 44 33.086 -5.267 -4.878 1.00 52.24 C ATOM 714 CE2 PHE A 44 32.757 -7.329 -6.041 1.00 70.31 C ATOM 715 CZ PHE A 44 33.508 -6.545 -5.188 1.00 63.24 C ATOM 0 H PHE A 44 29.338 -2.656 -6.000 1.00 11.24 H new ATOM 0 HA PHE A 44 31.054 -3.723 -8.132 1.00 3.25 H new ATOM 0 HB2 PHE A 44 29.160 -4.848 -6.078 1.00 44.13 H new ATOM 0 HB3 PHE A 44 29.454 -5.766 -7.541 1.00 44.13 H new ATOM 0 HD1 PHE A 44 31.590 -3.775 -5.182 1.00 41.52 H new ATOM 0 HD2 PHE A 44 31.007 -7.450 -7.257 1.00 3.44 H new ATOM 0 HE1 PHE A 44 33.669 -4.652 -4.209 1.00 52.24 H new ATOM 0 HE2 PHE A 44 33.083 -8.330 -6.282 1.00 70.31 H new ATOM 0 HZ PHE A 44 34.424 -6.930 -4.764 1.00 63.24 H new ATOM 725 N ALA A 45 28.615 -2.360 -9.043 1.00 74.31 N ATOM 726 CA ALA A 45 27.604 -2.109 -10.063 1.00 53.54 C ATOM 727 C ALA A 45 26.261 -2.711 -9.664 1.00 21.41 C ATOM 728 O ALA A 45 25.397 -2.942 -10.510 1.00 2.15 O ATOM 729 CB ALA A 45 28.058 -2.668 -11.404 1.00 5.24 C ATOM 0 H ALA A 45 28.982 -1.519 -8.597 1.00 74.31 H new ATOM 0 HA ALA A 45 27.476 -1.031 -10.156 1.00 53.54 H new ATOM 0 HB1 ALA A 45 27.294 -2.474 -12.157 1.00 5.24 H new ATOM 0 HB2 ALA A 45 28.990 -2.188 -11.701 1.00 5.24 H new ATOM 0 HB3 ALA A 45 28.215 -3.743 -11.316 1.00 5.24 H new ATOM 735 N VAL A 46 26.092 -2.964 -8.370 1.00 32.12 N ATOM 736 CA VAL A 46 24.853 -3.539 -7.859 1.00 14.24 C ATOM 737 C VAL A 46 24.161 -2.583 -6.893 1.00 30.34 C ATOM 738 O VAL A 46 24.778 -2.075 -5.958 1.00 31.12 O ATOM 739 CB VAL A 46 25.110 -4.877 -7.143 1.00 44.22 C ATOM 740 CG1 VAL A 46 23.814 -5.436 -6.573 1.00 1.23 C ATOM 741 CG2 VAL A 46 25.756 -5.874 -8.093 1.00 52.53 C ATOM 0 H VAL A 46 26.797 -2.780 -7.657 1.00 32.12 H new ATOM 0 HA VAL A 46 24.206 -3.713 -8.719 1.00 14.24 H new ATOM 0 HB VAL A 46 25.797 -4.700 -6.315 1.00 44.22 H new ATOM 0 HG11 VAL A 46 24.016 -6.382 -6.071 1.00 1.23 H new ATOM 0 HG12 VAL A 46 23.395 -4.728 -5.858 1.00 1.23 H new ATOM 0 HG13 VAL A 46 23.101 -5.599 -7.382 1.00 1.23 H new ATOM 0 HG21 VAL A 46 25.931 -6.814 -7.570 1.00 52.53 H new ATOM 0 HG22 VAL A 46 25.095 -6.048 -8.942 1.00 52.53 H new ATOM 0 HG23 VAL A 46 26.706 -5.475 -8.449 1.00 52.53 H new ATOM 751 N ASN A 47 22.875 -2.343 -7.128 1.00 2.13 N ATOM 752 CA ASN A 47 22.098 -1.447 -6.279 1.00 42.53 C ATOM 753 C ASN A 47 21.909 -2.044 -4.887 1.00 43.11 C ATOM 754 O ASN A 47 21.750 -3.253 -4.720 1.00 2.20 O ATOM 755 CB ASN A 47 20.735 -1.163 -6.913 1.00 70.02 C ATOM 756 CG ASN A 47 20.857 -0.570 -8.303 1.00 33.11 C ATOM 757 OD1 ASN A 47 21.960 -0.312 -8.786 1.00 1.23 O ATOM 758 ND2 ASN A 47 19.721 -0.349 -8.954 1.00 21.31 N ATOM 0 H ASN A 47 22.349 -2.756 -7.898 1.00 2.13 H new ATOM 0 HA ASN A 47 22.648 -0.511 -6.182 1.00 42.53 H new ATOM 0 HB2 ASN A 47 20.161 -2.088 -6.965 1.00 70.02 H new ATOM 0 HB3 ASN A 47 20.177 -0.477 -6.276 1.00 70.02 H new ATOM 0 HD21 ASN A 47 19.740 0.050 -9.893 1.00 21.31 H new ATOM 0 HD22 ASN A 47 18.829 -0.578 -8.515 1.00 21.31 H new ATOM 765 N PRO A 48 21.926 -1.177 -3.863 1.00 74.52 N ATOM 766 CA PRO A 48 21.758 -1.595 -2.469 1.00 62.15 C ATOM 767 C PRO A 48 20.338 -2.067 -2.173 1.00 73.24 C ATOM 768 O PRO A 48 20.061 -2.597 -1.099 1.00 40.43 O ATOM 769 CB PRO A 48 22.075 -0.325 -1.677 1.00 30.45 C ATOM 770 CG PRO A 48 21.777 0.792 -2.617 1.00 2.22 C ATOM 771 CD PRO A 48 22.112 0.278 -3.990 1.00 14.33 C ATOM 0 HA PRO A 48 22.397 -2.441 -2.217 1.00 62.15 H new ATOM 0 HB2 PRO A 48 21.465 -0.258 -0.776 1.00 30.45 H new ATOM 0 HB3 PRO A 48 23.117 -0.307 -1.358 1.00 30.45 H new ATOM 0 HG2 PRO A 48 20.729 1.085 -2.555 1.00 2.22 H new ATOM 0 HG3 PRO A 48 22.370 1.674 -2.375 1.00 2.22 H new ATOM 0 HD2 PRO A 48 21.455 0.702 -4.749 1.00 14.33 H new ATOM 0 HD3 PRO A 48 23.134 0.529 -4.275 1.00 14.33 H new ATOM 779 N GLY A 49 19.442 -1.871 -3.135 1.00 11.24 N ATOM 780 CA GLY A 49 18.061 -2.282 -2.958 1.00 15.23 C ATOM 781 C GLY A 49 17.845 -3.744 -3.291 1.00 21.43 C ATOM 782 O GLY A 49 16.707 -4.200 -3.412 1.00 31.33 O ATOM 0 H GLY A 49 19.647 -1.435 -4.034 1.00 11.24 H new ATOM 0 HA2 GLY A 49 17.760 -2.099 -1.926 1.00 15.23 H new ATOM 0 HA3 GLY A 49 17.419 -1.670 -3.591 1.00 15.23 H new ATOM 786 N LEU A 50 18.938 -4.483 -3.444 1.00 61.04 N ATOM 787 CA LEU A 50 18.863 -5.903 -3.768 1.00 52.24 C ATOM 788 C LEU A 50 19.110 -6.758 -2.529 1.00 64.24 C ATOM 789 O LEU A 50 19.531 -7.911 -2.631 1.00 44.34 O ATOM 790 CB LEU A 50 19.882 -6.253 -4.853 1.00 75.55 C ATOM 791 CG LEU A 50 19.745 -5.493 -6.174 1.00 51.31 C ATOM 792 CD1 LEU A 50 20.733 -6.024 -7.200 1.00 33.40 C ATOM 793 CD2 LEU A 50 18.321 -5.593 -6.700 1.00 12.12 C ATOM 0 H LEU A 50 19.887 -4.122 -3.349 1.00 61.04 H new ATOM 0 HA LEU A 50 17.860 -6.113 -4.138 1.00 52.24 H new ATOM 0 HB2 LEU A 50 20.881 -6.074 -4.456 1.00 75.55 H new ATOM 0 HB3 LEU A 50 19.808 -7.320 -5.062 1.00 75.55 H new ATOM 0 HG LEU A 50 19.971 -4.442 -5.993 1.00 51.31 H new ATOM 0 HD11 LEU A 50 20.621 -5.472 -8.133 1.00 33.40 H new ATOM 0 HD12 LEU A 50 21.749 -5.900 -6.825 1.00 33.40 H new ATOM 0 HD13 LEU A 50 20.539 -7.081 -7.379 1.00 33.40 H new ATOM 0 HD21 LEU A 50 18.241 -5.047 -7.640 1.00 12.12 H new ATOM 0 HD22 LEU A 50 18.067 -6.640 -6.866 1.00 12.12 H new ATOM 0 HD23 LEU A 50 17.633 -5.164 -5.972 1.00 12.12 H new ATOM 805 N LEU A 51 18.842 -6.187 -1.360 1.00 23.33 N ATOM 806 CA LEU A 51 19.031 -6.898 -0.100 1.00 61.33 C ATOM 807 C LEU A 51 17.705 -7.063 0.637 1.00 73.45 C ATOM 808 O LEU A 51 17.519 -8.019 1.390 1.00 34.14 O ATOM 809 CB LEU A 51 20.029 -6.150 0.785 1.00 11.40 C ATOM 810 CG LEU A 51 21.356 -5.769 0.127 1.00 12.22 C ATOM 811 CD1 LEU A 51 22.035 -4.651 0.902 1.00 53.21 C ATOM 812 CD2 LEU A 51 22.269 -6.982 0.027 1.00 11.00 C ATOM 0 H LEU A 51 18.493 -5.234 -1.258 1.00 23.33 H new ATOM 0 HA LEU A 51 19.426 -7.889 -0.326 1.00 61.33 H new ATOM 0 HB2 LEU A 51 19.552 -5.240 1.147 1.00 11.40 H new ATOM 0 HB3 LEU A 51 20.243 -6.767 1.658 1.00 11.40 H new ATOM 0 HG LEU A 51 21.150 -5.410 -0.881 1.00 12.22 H new ATOM 0 HD11 LEU A 51 22.978 -4.394 0.419 1.00 53.21 H new ATOM 0 HD12 LEU A 51 21.386 -3.775 0.921 1.00 53.21 H new ATOM 0 HD13 LEU A 51 22.229 -4.981 1.922 1.00 53.21 H new ATOM 0 HD21 LEU A 51 23.209 -6.692 -0.444 1.00 11.00 H new ATOM 0 HD22 LEU A 51 22.468 -7.371 1.026 1.00 11.00 H new ATOM 0 HD23 LEU A 51 21.785 -7.753 -0.573 1.00 11.00 H new ATOM 824 N GLU A 52 16.789 -6.127 0.412 1.00 23.21 N ATOM 825 CA GLU A 52 15.480 -6.172 1.055 1.00 34.34 C ATOM 826 C GLU A 52 14.591 -7.228 0.405 1.00 12.00 C ATOM 827 O GLU A 52 13.489 -7.506 0.879 1.00 10.31 O ATOM 828 CB GLU A 52 14.803 -4.802 0.978 1.00 31.54 C ATOM 829 CG GLU A 52 14.343 -4.429 -0.422 1.00 30.23 C ATOM 830 CD GLU A 52 13.853 -2.996 -0.513 1.00 54.10 C ATOM 831 OE1 GLU A 52 12.784 -2.696 0.058 1.00 51.15 O ATOM 832 OE2 GLU A 52 14.542 -2.174 -1.155 1.00 5.41 O ATOM 0 H GLU A 52 16.928 -5.330 -0.209 1.00 23.21 H new ATOM 0 HA GLU A 52 15.626 -6.439 2.102 1.00 34.34 H new ATOM 0 HB2 GLU A 52 13.944 -4.792 1.648 1.00 31.54 H new ATOM 0 HB3 GLU A 52 15.497 -4.042 1.338 1.00 31.54 H new ATOM 0 HG2 GLU A 52 15.167 -4.572 -1.121 1.00 30.23 H new ATOM 0 HG3 GLU A 52 13.543 -5.103 -0.729 1.00 30.23 H new ATOM 839 N THR A 53 15.077 -7.815 -0.684 1.00 71.30 N ATOM 840 CA THR A 53 14.328 -8.839 -1.401 1.00 0.45 C ATOM 841 C THR A 53 15.046 -10.182 -1.349 1.00 62.54 C ATOM 842 O THR A 53 16.244 -10.267 -1.618 1.00 53.11 O ATOM 843 CB THR A 53 14.104 -8.445 -2.872 1.00 33.51 C ATOM 844 OG1 THR A 53 15.330 -8.561 -3.603 1.00 34.02 O ATOM 845 CG2 THR A 53 13.578 -7.021 -2.977 1.00 74.32 C ATOM 0 H THR A 53 15.988 -7.598 -1.089 1.00 71.30 H new ATOM 0 HA THR A 53 13.361 -8.928 -0.906 1.00 0.45 H new ATOM 0 HB THR A 53 13.363 -9.122 -3.297 1.00 33.51 H new ATOM 0 HG1 THR A 53 15.134 -8.771 -4.540 1.00 34.02 H new ATOM 0 HG21 THR A 53 13.427 -6.765 -4.026 1.00 74.32 H new ATOM 0 HG22 THR A 53 12.630 -6.943 -2.445 1.00 74.32 H new ATOM 0 HG23 THR A 53 14.299 -6.333 -2.536 1.00 74.32 H new ATOM 853 N SER A 54 14.306 -11.231 -1.005 1.00 5.34 N ATOM 854 CA SER A 54 14.874 -12.571 -0.915 1.00 63.40 C ATOM 855 C SER A 54 15.541 -12.967 -2.230 1.00 43.31 C ATOM 856 O SER A 54 16.455 -13.791 -2.250 1.00 2.51 O ATOM 857 CB SER A 54 13.786 -13.586 -0.557 1.00 64.32 C ATOM 858 OG SER A 54 14.247 -14.506 0.418 1.00 33.12 O ATOM 0 H SER A 54 13.312 -11.179 -0.784 1.00 5.34 H new ATOM 0 HA SER A 54 15.630 -12.567 -0.130 1.00 63.40 H new ATOM 0 HB2 SER A 54 12.906 -13.063 -0.181 1.00 64.32 H new ATOM 0 HB3 SER A 54 13.478 -14.125 -1.453 1.00 64.32 H new ATOM 0 HG SER A 54 15.128 -14.847 0.156 1.00 33.12 H new ATOM 864 N GLU A 55 15.076 -12.373 -3.324 1.00 73.32 N ATOM 865 CA GLU A 55 15.628 -12.664 -4.643 1.00 4.33 C ATOM 866 C GLU A 55 16.965 -11.956 -4.841 1.00 30.40 C ATOM 867 O GLU A 55 17.911 -12.532 -5.377 1.00 43.32 O ATOM 868 CB GLU A 55 14.645 -12.238 -5.735 1.00 75.32 C ATOM 869 CG GLU A 55 13.700 -13.347 -6.170 1.00 12.20 C ATOM 870 CD GLU A 55 12.276 -12.860 -6.357 1.00 14.24 C ATOM 871 OE1 GLU A 55 12.097 -11.719 -6.834 1.00 62.40 O ATOM 872 OE2 GLU A 55 11.342 -13.618 -6.025 1.00 44.05 O ATOM 0 H GLU A 55 14.320 -11.688 -3.324 1.00 73.32 H new ATOM 0 HA GLU A 55 15.793 -13.739 -4.712 1.00 4.33 H new ATOM 0 HB2 GLU A 55 14.058 -11.393 -5.375 1.00 75.32 H new ATOM 0 HB3 GLU A 55 15.207 -11.890 -6.602 1.00 75.32 H new ATOM 0 HG2 GLU A 55 14.058 -13.779 -7.105 1.00 12.20 H new ATOM 0 HG3 GLU A 55 13.713 -14.143 -5.426 1.00 12.20 H new ATOM 879 N GLY A 56 17.034 -10.702 -4.406 1.00 2.13 N ATOM 880 CA GLY A 56 18.258 -9.934 -4.545 1.00 62.13 C ATOM 881 C GLY A 56 19.440 -10.601 -3.870 1.00 2.44 C ATOM 882 O GLY A 56 20.474 -10.833 -4.498 1.00 70.30 O ATOM 0 H GLY A 56 16.264 -10.204 -3.960 1.00 2.13 H new ATOM 0 HA2 GLY A 56 18.478 -9.796 -5.603 1.00 62.13 H new ATOM 0 HA3 GLY A 56 18.112 -8.942 -4.118 1.00 62.13 H new ATOM 886 N CYS A 57 19.289 -10.909 -2.586 1.00 1.42 N ATOM 887 CA CYS A 57 20.354 -11.550 -1.823 1.00 2.24 C ATOM 888 C CYS A 57 20.847 -12.808 -2.530 1.00 62.13 C ATOM 889 O CYS A 57 22.045 -12.978 -2.754 1.00 33.45 O ATOM 890 CB CYS A 57 19.864 -11.899 -0.417 1.00 61.44 C ATOM 891 SG CYS A 57 19.710 -10.475 0.685 1.00 11.25 S ATOM 0 H CYS A 57 18.440 -10.725 -2.052 1.00 1.42 H new ATOM 0 HA CYS A 57 21.185 -10.849 -1.746 1.00 2.24 H new ATOM 0 HB2 CYS A 57 18.895 -12.392 -0.494 1.00 61.44 H new ATOM 0 HB3 CYS A 57 20.553 -12.617 0.028 1.00 61.44 H new ATOM 0 HG CYS A 57 18.554 -9.908 0.503 1.00 11.25 H new ATOM 897 N ARG A 58 19.914 -13.690 -2.877 1.00 42.41 N ATOM 898 CA ARG A 58 20.254 -14.934 -3.556 1.00 43.24 C ATOM 899 C ARG A 58 20.971 -14.657 -4.873 1.00 73.00 C ATOM 900 O ARG A 58 21.745 -15.484 -5.355 1.00 53.21 O ATOM 901 CB ARG A 58 18.992 -15.761 -3.814 1.00 51.30 C ATOM 902 CG ARG A 58 19.277 -17.184 -4.264 1.00 33.04 C ATOM 903 CD ARG A 58 18.796 -17.425 -5.687 1.00 5.32 C ATOM 904 NE ARG A 58 17.461 -18.017 -5.719 1.00 3.25 N ATOM 905 CZ ARG A 58 16.910 -18.530 -6.813 1.00 41.11 C ATOM 906 NH1 ARG A 58 17.577 -18.525 -7.959 1.00 74.01 N ATOM 907 NH2 ARG A 58 15.691 -19.052 -6.763 1.00 1.33 N ATOM 0 H ARG A 58 18.917 -13.565 -2.699 1.00 42.41 H new ATOM 0 HA ARG A 58 20.925 -15.499 -2.909 1.00 43.24 H new ATOM 0 HB2 ARG A 58 18.395 -15.790 -2.903 1.00 51.30 H new ATOM 0 HB3 ARG A 58 18.390 -15.262 -4.574 1.00 51.30 H new ATOM 0 HG2 ARG A 58 20.348 -17.379 -4.203 1.00 33.04 H new ATOM 0 HG3 ARG A 58 18.786 -17.885 -3.589 1.00 33.04 H new ATOM 0 HD2 ARG A 58 18.787 -16.481 -6.232 1.00 5.32 H new ATOM 0 HD3 ARG A 58 19.497 -18.083 -6.200 1.00 5.32 H new ATOM 0 HE ARG A 58 16.922 -18.037 -4.853 1.00 3.25 H new ATOM 0 HH11 ARG A 58 18.515 -18.127 -8.001 1.00 74.01 H new ATOM 0 HH12 ARG A 58 17.152 -18.920 -8.798 1.00 74.01 H new ATOM 0 HH21 ARG A 58 15.175 -19.060 -5.883 1.00 1.33 H new ATOM 0 HH22 ARG A 58 15.270 -19.445 -7.605 1.00 1.33 H new ATOM 921 N GLN A 59 20.709 -13.490 -5.449 1.00 32.25 N ATOM 922 CA GLN A 59 21.329 -13.104 -6.712 1.00 5.52 C ATOM 923 C GLN A 59 22.735 -12.560 -6.484 1.00 33.22 C ATOM 924 O GLN A 59 23.654 -12.846 -7.253 1.00 3.22 O ATOM 925 CB GLN A 59 20.473 -12.056 -7.426 1.00 0.54 C ATOM 926 CG GLN A 59 19.899 -12.537 -8.749 1.00 41.33 C ATOM 927 CD GLN A 59 18.407 -12.791 -8.679 1.00 64.22 C ATOM 928 OE1 GLN A 59 17.937 -13.576 -7.855 1.00 65.10 O ATOM 929 NE2 GLN A 59 17.651 -12.128 -9.547 1.00 14.52 N ATOM 0 H GLN A 59 20.072 -12.794 -5.062 1.00 32.25 H new ATOM 0 HA GLN A 59 21.400 -13.993 -7.339 1.00 5.52 H new ATOM 0 HB2 GLN A 59 19.654 -11.760 -6.770 1.00 0.54 H new ATOM 0 HB3 GLN A 59 21.077 -11.166 -7.604 1.00 0.54 H new ATOM 0 HG2 GLN A 59 20.101 -11.794 -9.520 1.00 41.33 H new ATOM 0 HG3 GLN A 59 20.406 -13.454 -9.049 1.00 41.33 H new ATOM 0 HE21 GLN A 59 18.082 -11.487 -10.213 1.00 14.52 H new ATOM 0 HE22 GLN A 59 16.640 -12.260 -9.547 1.00 14.52 H new ATOM 938 N ILE A 60 22.896 -11.775 -5.424 1.00 31.34 N ATOM 939 CA ILE A 60 24.190 -11.192 -5.095 1.00 71.54 C ATOM 940 C ILE A 60 25.172 -12.262 -4.628 1.00 31.25 C ATOM 941 O ILE A 60 26.345 -12.251 -5.006 1.00 11.11 O ATOM 942 CB ILE A 60 24.062 -10.117 -4.001 1.00 11.34 C ATOM 943 CG1 ILE A 60 23.108 -9.009 -4.453 1.00 1.32 C ATOM 944 CG2 ILE A 60 25.428 -9.540 -3.662 1.00 50.53 C ATOM 945 CD1 ILE A 60 22.584 -8.162 -3.315 1.00 4.34 C ATOM 0 H ILE A 60 22.146 -11.528 -4.778 1.00 31.34 H new ATOM 0 HA ILE A 60 24.567 -10.728 -6.006 1.00 71.54 H new ATOM 0 HB ILE A 60 23.652 -10.581 -3.104 1.00 11.34 H new ATOM 0 HG12 ILE A 60 23.623 -8.366 -5.167 1.00 1.32 H new ATOM 0 HG13 ILE A 60 22.265 -9.458 -4.979 1.00 1.32 H new ATOM 0 HG21 ILE A 60 25.320 -8.781 -2.887 1.00 50.53 H new ATOM 0 HG22 ILE A 60 26.080 -10.336 -3.303 1.00 50.53 H new ATOM 0 HG23 ILE A 60 25.864 -9.089 -4.553 1.00 50.53 H new ATOM 0 HD11 ILE A 60 21.914 -7.397 -3.709 1.00 4.34 H new ATOM 0 HD12 ILE A 60 22.040 -8.793 -2.612 1.00 4.34 H new ATOM 0 HD13 ILE A 60 23.419 -7.684 -2.803 1.00 4.34 H new ATOM 957 N LEU A 61 24.686 -13.186 -3.807 1.00 31.40 N ATOM 958 CA LEU A 61 25.520 -14.265 -3.290 1.00 65.13 C ATOM 959 C LEU A 61 26.080 -15.113 -4.428 1.00 40.43 C ATOM 960 O LEU A 61 27.264 -15.445 -4.442 1.00 71.03 O ATOM 961 CB LEU A 61 24.713 -15.144 -2.333 1.00 40.35 C ATOM 962 CG LEU A 61 24.150 -14.446 -1.094 1.00 70.11 C ATOM 963 CD1 LEU A 61 22.953 -15.210 -0.549 1.00 34.14 C ATOM 964 CD2 LEU A 61 25.225 -14.306 -0.026 1.00 53.51 C ATOM 0 H LEU A 61 23.718 -13.210 -3.485 1.00 31.40 H new ATOM 0 HA LEU A 61 26.355 -13.820 -2.749 1.00 65.13 H new ATOM 0 HB2 LEU A 61 23.883 -15.583 -2.887 1.00 40.35 H new ATOM 0 HB3 LEU A 61 25.348 -15.967 -2.005 1.00 40.35 H new ATOM 0 HG LEU A 61 23.819 -13.448 -1.382 1.00 70.11 H new ATOM 0 HD11 LEU A 61 22.566 -14.699 0.332 1.00 34.14 H new ATOM 0 HD12 LEU A 61 22.175 -15.259 -1.311 1.00 34.14 H new ATOM 0 HD13 LEU A 61 23.259 -16.220 -0.277 1.00 34.14 H new ATOM 0 HD21 LEU A 61 24.807 -13.807 0.848 1.00 53.51 H new ATOM 0 HD22 LEU A 61 25.586 -15.294 0.258 1.00 53.51 H new ATOM 0 HD23 LEU A 61 26.053 -13.716 -0.419 1.00 53.51 H new ATOM 976 N GLY A 62 25.220 -15.459 -5.381 1.00 5.25 N ATOM 977 CA GLY A 62 25.648 -16.264 -6.510 1.00 74.30 C ATOM 978 C GLY A 62 26.828 -15.654 -7.241 1.00 63.24 C ATOM 979 O GLY A 62 27.591 -16.363 -7.897 1.00 71.21 O ATOM 0 H GLY A 62 24.235 -15.196 -5.391 1.00 5.25 H new ATOM 0 HA2 GLY A 62 25.917 -17.261 -6.161 1.00 74.30 H new ATOM 0 HA3 GLY A 62 24.816 -16.383 -7.204 1.00 74.30 H new ATOM 983 N GLN A 63 26.977 -14.338 -7.130 1.00 65.22 N ATOM 984 CA GLN A 63 28.071 -13.635 -7.788 1.00 22.12 C ATOM 985 C GLN A 63 29.364 -13.771 -6.990 1.00 5.05 C ATOM 986 O GLN A 63 30.460 -13.693 -7.546 1.00 11.12 O ATOM 987 CB GLN A 63 27.721 -12.157 -7.967 1.00 13.15 C ATOM 988 CG GLN A 63 28.789 -11.363 -8.702 1.00 24.24 C ATOM 989 CD GLN A 63 28.238 -10.113 -9.359 1.00 4.10 C ATOM 990 OE1 GLN A 63 27.099 -10.094 -9.826 1.00 23.41 O ATOM 991 NE2 GLN A 63 29.045 -9.060 -9.399 1.00 51.33 N ATOM 0 H GLN A 63 26.354 -13.737 -6.590 1.00 65.22 H new ATOM 0 HA GLN A 63 28.222 -14.087 -8.769 1.00 22.12 H new ATOM 0 HB2 GLN A 63 26.781 -12.078 -8.514 1.00 13.15 H new ATOM 0 HB3 GLN A 63 27.558 -11.710 -6.987 1.00 13.15 H new ATOM 0 HG2 GLN A 63 29.576 -11.084 -8.001 1.00 24.24 H new ATOM 0 HG3 GLN A 63 29.249 -11.996 -9.461 1.00 24.24 H new ATOM 0 HE21 GLN A 63 29.982 -9.120 -9.000 1.00 51.33 H new ATOM 0 HE22 GLN A 63 28.729 -8.191 -9.829 1.00 51.33 H new ATOM 1000 N LEU A 64 29.228 -13.975 -5.685 1.00 50.31 N ATOM 1001 CA LEU A 64 30.385 -14.121 -4.809 1.00 74.13 C ATOM 1002 C LEU A 64 30.501 -15.552 -4.294 1.00 42.35 C ATOM 1003 O LEU A 64 31.073 -15.794 -3.232 1.00 51.42 O ATOM 1004 CB LEU A 64 30.286 -13.149 -3.632 1.00 62.32 C ATOM 1005 CG LEU A 64 29.815 -11.734 -3.968 1.00 10.30 C ATOM 1006 CD1 LEU A 64 29.418 -10.989 -2.702 1.00 70.42 C ATOM 1007 CD2 LEU A 64 30.900 -10.975 -4.718 1.00 41.52 C ATOM 0 H LEU A 64 28.328 -14.043 -5.210 1.00 50.31 H new ATOM 0 HA LEU A 64 31.279 -13.889 -5.388 1.00 74.13 H new ATOM 0 HB2 LEU A 64 29.604 -13.572 -2.894 1.00 62.32 H new ATOM 0 HB3 LEU A 64 31.266 -13.082 -3.159 1.00 62.32 H new ATOM 0 HG LEU A 64 28.939 -11.806 -4.612 1.00 10.30 H new ATOM 0 HD11 LEU A 64 29.085 -9.984 -2.961 1.00 70.42 H new ATOM 0 HD12 LEU A 64 28.608 -11.523 -2.205 1.00 70.42 H new ATOM 0 HD13 LEU A 64 30.276 -10.926 -2.033 1.00 70.42 H new ATOM 0 HD21 LEU A 64 30.547 -9.970 -4.949 1.00 41.52 H new ATOM 0 HD22 LEU A 64 31.795 -10.912 -4.099 1.00 41.52 H new ATOM 0 HD23 LEU A 64 31.136 -11.499 -5.644 1.00 41.52 H new ATOM 1019 N GLN A 65 29.957 -16.495 -5.055 1.00 20.42 N ATOM 1020 CA GLN A 65 30.000 -17.902 -4.676 1.00 62.14 C ATOM 1021 C GLN A 65 31.419 -18.451 -4.782 1.00 63.12 C ATOM 1022 O GLN A 65 32.018 -18.887 -3.799 1.00 4.54 O ATOM 1023 CB GLN A 65 29.057 -18.720 -5.559 1.00 63.11 C ATOM 1024 CG GLN A 65 27.888 -19.329 -4.801 1.00 0.14 C ATOM 1025 CD GLN A 65 27.051 -20.253 -5.664 1.00 3.55 C ATOM 1026 OE1 GLN A 65 26.074 -19.827 -6.283 1.00 41.40 O ATOM 1027 NE2 GLN A 65 27.428 -21.525 -5.709 1.00 54.20 N ATOM 0 H GLN A 65 29.481 -16.310 -5.938 1.00 20.42 H new ATOM 0 HA GLN A 65 29.675 -17.982 -3.639 1.00 62.14 H new ATOM 0 HB2 GLN A 65 28.671 -18.081 -6.353 1.00 63.11 H new ATOM 0 HB3 GLN A 65 29.623 -19.518 -6.039 1.00 63.11 H new ATOM 0 HG2 GLN A 65 28.266 -19.884 -3.942 1.00 0.14 H new ATOM 0 HG3 GLN A 65 27.257 -18.530 -4.412 1.00 0.14 H new ATOM 0 HE21 GLN A 65 28.244 -21.834 -5.180 1.00 54.20 H new ATOM 0 HE22 GLN A 65 26.902 -22.193 -6.272 1.00 54.20 H new ATOM 1036 N PRO A 66 31.971 -18.432 -6.004 1.00 14.00 N ATOM 1037 CA PRO A 66 33.327 -18.923 -6.268 1.00 65.31 C ATOM 1038 C PRO A 66 34.399 -18.023 -5.662 1.00 61.41 C ATOM 1039 O PRO A 66 35.492 -18.481 -5.330 1.00 0.20 O ATOM 1040 CB PRO A 66 33.418 -18.910 -7.796 1.00 33.13 C ATOM 1041 CG PRO A 66 32.436 -17.875 -8.224 1.00 21.25 C ATOM 1042 CD PRO A 66 31.315 -17.927 -7.222 1.00 55.40 C ATOM 0 HA PRO A 66 33.498 -19.904 -5.826 1.00 65.31 H new ATOM 0 HB2 PRO A 66 34.425 -18.663 -8.131 1.00 33.13 H new ATOM 0 HB3 PRO A 66 33.173 -19.886 -8.216 1.00 33.13 H new ATOM 0 HG2 PRO A 66 32.895 -16.887 -8.245 1.00 21.25 H new ATOM 0 HG3 PRO A 66 32.069 -18.077 -9.230 1.00 21.25 H new ATOM 0 HD2 PRO A 66 30.873 -16.944 -7.062 1.00 55.40 H new ATOM 0 HD3 PRO A 66 30.513 -18.588 -7.550 1.00 55.40 H new ATOM 1050 N SER A 67 34.078 -16.741 -5.521 1.00 25.42 N ATOM 1051 CA SER A 67 35.015 -15.776 -4.958 1.00 3.21 C ATOM 1052 C SER A 67 34.947 -15.779 -3.434 1.00 64.02 C ATOM 1053 O SER A 67 35.253 -14.778 -2.785 1.00 65.14 O ATOM 1054 CB SER A 67 34.716 -14.373 -5.489 1.00 72.52 C ATOM 1055 OG SER A 67 34.670 -14.364 -6.906 1.00 74.25 O ATOM 0 H SER A 67 33.176 -16.347 -5.789 1.00 25.42 H new ATOM 0 HA SER A 67 36.021 -16.065 -5.261 1.00 3.21 H new ATOM 0 HB2 SER A 67 33.764 -14.024 -5.089 1.00 72.52 H new ATOM 0 HB3 SER A 67 35.481 -13.679 -5.142 1.00 72.52 H new ATOM 0 HG SER A 67 34.476 -13.457 -7.221 1.00 74.25 H new ATOM 1061 N LEU A 68 34.545 -16.913 -2.868 1.00 14.13 N ATOM 1062 CA LEU A 68 34.437 -17.048 -1.419 1.00 24.41 C ATOM 1063 C LEU A 68 35.806 -17.289 -0.791 1.00 60.32 C ATOM 1064 O LEU A 68 36.029 -16.966 0.375 1.00 12.21 O ATOM 1065 CB LEU A 68 33.491 -18.197 -1.065 1.00 53.45 C ATOM 1066 CG LEU A 68 32.053 -17.803 -0.727 1.00 12.23 C ATOM 1067 CD1 LEU A 68 31.215 -19.038 -0.437 1.00 60.20 C ATOM 1068 CD2 LEU A 68 32.027 -16.848 0.459 1.00 62.50 C ATOM 0 H LEU A 68 34.289 -17.751 -3.390 1.00 14.13 H new ATOM 0 HA LEU A 68 34.034 -16.117 -1.020 1.00 24.41 H new ATOM 0 HB2 LEU A 68 33.468 -18.893 -1.903 1.00 53.45 H new ATOM 0 HB3 LEU A 68 33.908 -18.736 -0.214 1.00 53.45 H new ATOM 0 HG LEU A 68 31.624 -17.293 -1.589 1.00 12.23 H new ATOM 0 HD11 LEU A 68 30.195 -18.738 -0.198 1.00 60.20 H new ATOM 0 HD12 LEU A 68 31.207 -19.686 -1.313 1.00 60.20 H new ATOM 0 HD13 LEU A 68 31.642 -19.577 0.409 1.00 60.20 H new ATOM 0 HD21 LEU A 68 30.996 -16.578 0.686 1.00 62.50 H new ATOM 0 HD22 LEU A 68 32.474 -17.333 1.327 1.00 62.50 H new ATOM 0 HD23 LEU A 68 32.592 -15.949 0.214 1.00 62.50 H new ATOM 1080 N GLN A 69 36.719 -17.855 -1.574 1.00 61.24 N ATOM 1081 CA GLN A 69 38.067 -18.137 -1.094 1.00 21.23 C ATOM 1082 C GLN A 69 39.050 -17.077 -1.578 1.00 35.54 C ATOM 1083 O GLN A 69 39.949 -16.665 -0.844 1.00 63.33 O ATOM 1084 CB GLN A 69 38.519 -19.521 -1.563 1.00 43.25 C ATOM 1085 CG GLN A 69 39.664 -20.096 -0.745 1.00 41.31 C ATOM 1086 CD GLN A 69 40.665 -20.854 -1.595 1.00 0.54 C ATOM 1087 OE1 GLN A 69 41.832 -20.473 -1.687 1.00 60.41 O ATOM 1088 NE2 GLN A 69 40.213 -21.934 -2.222 1.00 42.32 N ATOM 0 H GLN A 69 36.550 -18.127 -2.542 1.00 61.24 H new ATOM 0 HA GLN A 69 38.049 -18.119 -0.004 1.00 21.23 H new ATOM 0 HB2 GLN A 69 37.672 -20.205 -1.518 1.00 43.25 H new ATOM 0 HB3 GLN A 69 38.824 -19.460 -2.608 1.00 43.25 H new ATOM 0 HG2 GLN A 69 40.175 -19.287 -0.223 1.00 41.31 H new ATOM 0 HG3 GLN A 69 39.262 -20.763 0.018 1.00 41.31 H new ATOM 0 HE21 GLN A 69 39.238 -22.214 -2.117 1.00 42.32 H new ATOM 0 HE22 GLN A 69 40.841 -22.484 -2.808 1.00 42.32 H new ATOM 1097 N THR A 70 38.874 -16.638 -2.821 1.00 60.32 N ATOM 1098 CA THR A 70 39.747 -15.627 -3.405 1.00 20.54 C ATOM 1099 C THR A 70 39.094 -14.250 -3.368 1.00 71.01 C ATOM 1100 O THR A 70 39.386 -13.391 -4.200 1.00 22.10 O ATOM 1101 CB THR A 70 40.109 -15.972 -4.862 1.00 74.12 C ATOM 1102 OG1 THR A 70 38.922 -16.050 -5.657 1.00 22.14 O ATOM 1103 CG2 THR A 70 40.862 -17.291 -4.935 1.00 64.23 C ATOM 0 H THR A 70 38.135 -16.967 -3.442 1.00 60.32 H new ATOM 0 HA THR A 70 40.658 -15.611 -2.806 1.00 20.54 H new ATOM 0 HB THR A 70 40.753 -15.182 -5.249 1.00 74.12 H new ATOM 0 HG1 THR A 70 39.162 -16.268 -6.582 1.00 22.14 H new ATOM 0 HG21 THR A 70 41.107 -17.513 -5.974 1.00 64.23 H new ATOM 0 HG22 THR A 70 41.781 -17.218 -4.353 1.00 64.23 H new ATOM 0 HG23 THR A 70 40.239 -18.089 -4.530 1.00 64.23 H new ATOM 1111 N GLY A 71 38.209 -14.045 -2.397 1.00 63.12 N ATOM 1112 CA GLY A 71 37.530 -12.768 -2.270 1.00 64.34 C ATOM 1113 C GLY A 71 38.125 -11.901 -1.178 1.00 25.32 C ATOM 1114 O GLY A 71 38.433 -12.387 -0.090 1.00 13.42 O ATOM 0 H GLY A 71 37.950 -14.740 -1.696 1.00 63.12 H new ATOM 0 HA2 GLY A 71 37.582 -12.236 -3.220 1.00 64.34 H new ATOM 0 HA3 GLY A 71 36.475 -12.941 -2.058 1.00 64.34 H new ATOM 1118 N SER A 72 38.289 -10.615 -1.470 1.00 22.34 N ATOM 1119 CA SER A 72 38.856 -9.679 -0.508 1.00 44.32 C ATOM 1120 C SER A 72 38.008 -9.623 0.760 1.00 13.14 C ATOM 1121 O SER A 72 37.026 -10.351 0.894 1.00 3.05 O ATOM 1122 CB SER A 72 38.965 -8.283 -1.124 1.00 53.32 C ATOM 1123 OG SER A 72 37.801 -7.518 -0.865 1.00 64.13 O ATOM 0 H SER A 72 38.037 -10.198 -2.366 1.00 22.34 H new ATOM 0 HA SER A 72 39.853 -10.029 -0.243 1.00 44.32 H new ATOM 0 HB2 SER A 72 39.838 -7.771 -0.719 1.00 53.32 H new ATOM 0 HB3 SER A 72 39.116 -8.368 -2.200 1.00 53.32 H new ATOM 0 HG SER A 72 37.897 -6.630 -1.268 1.00 64.13 H new ATOM 1129 N GLU A 73 38.397 -8.752 1.686 1.00 61.02 N ATOM 1130 CA GLU A 73 37.674 -8.601 2.944 1.00 61.51 C ATOM 1131 C GLU A 73 36.239 -8.146 2.694 1.00 0.21 C ATOM 1132 O GLU A 73 35.306 -8.618 3.342 1.00 45.11 O ATOM 1133 CB GLU A 73 38.388 -7.598 3.851 1.00 52.10 C ATOM 1134 CG GLU A 73 37.987 -7.706 5.312 1.00 42.53 C ATOM 1135 CD GLU A 73 38.788 -6.781 6.207 1.00 53.54 C ATOM 1136 OE1 GLU A 73 39.092 -5.650 5.774 1.00 61.12 O ATOM 1137 OE2 GLU A 73 39.112 -7.189 7.343 1.00 30.02 O ATOM 0 H GLU A 73 39.208 -8.141 1.589 1.00 61.02 H new ATOM 0 HA GLU A 73 37.649 -9.572 3.438 1.00 61.51 H new ATOM 0 HB2 GLU A 73 39.464 -7.747 3.766 1.00 52.10 H new ATOM 0 HB3 GLU A 73 38.177 -6.588 3.499 1.00 52.10 H new ATOM 0 HG2 GLU A 73 36.927 -7.474 5.412 1.00 42.53 H new ATOM 0 HG3 GLU A 73 38.121 -8.735 5.646 1.00 42.53 H new ATOM 1144 N GLU A 74 36.072 -7.225 1.750 1.00 24.44 N ATOM 1145 CA GLU A 74 34.752 -6.705 1.415 1.00 25.04 C ATOM 1146 C GLU A 74 33.834 -7.823 0.926 1.00 53.52 C ATOM 1147 O GLU A 74 32.712 -7.977 1.409 1.00 2.11 O ATOM 1148 CB GLU A 74 34.863 -5.617 0.345 1.00 4.55 C ATOM 1149 CG GLU A 74 34.996 -4.215 0.915 1.00 70.01 C ATOM 1150 CD GLU A 74 36.209 -4.062 1.812 1.00 72.42 C ATOM 1151 OE1 GLU A 74 37.321 -3.874 1.276 1.00 52.03 O ATOM 1152 OE2 GLU A 74 36.047 -4.132 3.048 1.00 33.42 O ATOM 0 H GLU A 74 36.834 -6.824 1.204 1.00 24.44 H new ATOM 0 HA GLU A 74 34.321 -6.273 2.318 1.00 25.04 H new ATOM 0 HB2 GLU A 74 35.726 -5.827 -0.287 1.00 4.55 H new ATOM 0 HB3 GLU A 74 33.982 -5.658 -0.296 1.00 4.55 H new ATOM 0 HG2 GLU A 74 35.062 -3.499 0.096 1.00 70.01 H new ATOM 0 HG3 GLU A 74 34.097 -3.970 1.481 1.00 70.01 H new ATOM 1159 N LEU A 75 34.320 -8.600 -0.035 1.00 62.42 N ATOM 1160 CA LEU A 75 33.545 -9.703 -0.592 1.00 63.42 C ATOM 1161 C LEU A 75 33.126 -10.680 0.502 1.00 64.43 C ATOM 1162 O LEU A 75 31.940 -10.959 0.678 1.00 61.32 O ATOM 1163 CB LEU A 75 34.359 -10.436 -1.661 1.00 4.52 C ATOM 1164 CG LEU A 75 33.589 -11.443 -2.517 1.00 53.11 C ATOM 1165 CD1 LEU A 75 34.293 -11.660 -3.848 1.00 1.50 C ATOM 1166 CD2 LEU A 75 33.430 -12.762 -1.775 1.00 12.31 C ATOM 0 H LEU A 75 35.247 -8.487 -0.445 1.00 62.42 H new ATOM 0 HA LEU A 75 32.646 -9.289 -1.049 1.00 63.42 H new ATOM 0 HB2 LEU A 75 34.805 -9.693 -2.322 1.00 4.52 H new ATOM 0 HB3 LEU A 75 35.179 -10.959 -1.170 1.00 4.52 H new ATOM 0 HG LEU A 75 32.596 -11.039 -2.715 1.00 53.11 H new ATOM 0 HD11 LEU A 75 33.731 -12.379 -4.444 1.00 1.50 H new ATOM 0 HD12 LEU A 75 34.355 -10.714 -4.385 1.00 1.50 H new ATOM 0 HD13 LEU A 75 35.298 -12.043 -3.670 1.00 1.50 H new ATOM 0 HD21 LEU A 75 32.880 -13.466 -2.399 1.00 12.31 H new ATOM 0 HD22 LEU A 75 34.414 -13.172 -1.546 1.00 12.31 H new ATOM 0 HD23 LEU A 75 32.882 -12.594 -0.848 1.00 12.31 H new ATOM 1178 N ARG A 76 34.107 -11.196 1.237 1.00 14.23 N ATOM 1179 CA ARG A 76 33.839 -12.140 2.315 1.00 71.40 C ATOM 1180 C ARG A 76 32.786 -11.589 3.271 1.00 23.21 C ATOM 1181 O ARG A 76 31.818 -12.273 3.606 1.00 72.33 O ATOM 1182 CB ARG A 76 35.127 -12.450 3.080 1.00 41.03 C ATOM 1183 CG ARG A 76 35.232 -13.896 3.535 1.00 25.32 C ATOM 1184 CD ARG A 76 36.668 -14.277 3.857 1.00 43.51 C ATOM 1185 NE ARG A 76 37.240 -13.424 4.896 1.00 1.33 N ATOM 1186 CZ ARG A 76 38.311 -13.752 5.609 1.00 64.12 C ATOM 1187 NH1 ARG A 76 38.924 -14.908 5.397 1.00 74.52 N ATOM 1188 NH2 ARG A 76 38.772 -12.923 6.537 1.00 74.51 N ATOM 0 H ARG A 76 35.094 -10.976 1.105 1.00 14.23 H new ATOM 0 HA ARG A 76 33.456 -13.060 1.873 1.00 71.40 H new ATOM 0 HB2 ARG A 76 35.982 -12.215 2.446 1.00 41.03 H new ATOM 0 HB3 ARG A 76 35.188 -11.798 3.952 1.00 41.03 H new ATOM 0 HG2 ARG A 76 34.608 -14.047 4.416 1.00 25.32 H new ATOM 0 HG3 ARG A 76 34.847 -14.553 2.755 1.00 25.32 H new ATOM 0 HD2 ARG A 76 36.703 -15.317 4.181 1.00 43.51 H new ATOM 0 HD3 ARG A 76 37.274 -14.204 2.954 1.00 43.51 H new ATOM 0 HE ARG A 76 36.792 -12.527 5.084 1.00 1.33 H new ATOM 0 HH11 ARG A 76 38.573 -15.548 4.685 1.00 74.52 H new ATOM 0 HH12 ARG A 76 39.747 -15.157 5.946 1.00 74.52 H new ATOM 0 HH21 ARG A 76 38.303 -12.032 6.703 1.00 74.51 H new ATOM 0 HH22 ARG A 76 39.595 -13.176 7.084 1.00 74.51 H new ATOM 1202 N SER A 77 32.982 -10.349 3.708 1.00 24.52 N ATOM 1203 CA SER A 77 32.050 -9.707 4.630 1.00 70.40 C ATOM 1204 C SER A 77 30.655 -9.621 4.020 1.00 33.42 C ATOM 1205 O SER A 77 29.651 -9.810 4.708 1.00 21.11 O ATOM 1206 CB SER A 77 32.546 -8.308 4.997 1.00 34.43 C ATOM 1207 OG SER A 77 33.384 -8.347 6.139 1.00 11.23 O ATOM 0 H SER A 77 33.777 -9.769 3.439 1.00 24.52 H new ATOM 0 HA SER A 77 31.995 -10.314 5.534 1.00 70.40 H new ATOM 0 HB2 SER A 77 33.092 -7.880 4.156 1.00 34.43 H new ATOM 0 HB3 SER A 77 31.694 -7.656 5.189 1.00 34.43 H new ATOM 0 HG SER A 77 33.689 -7.440 6.352 1.00 11.23 H new ATOM 1213 N LEU A 78 30.599 -9.335 2.724 1.00 73.34 N ATOM 1214 CA LEU A 78 29.327 -9.223 2.018 1.00 51.53 C ATOM 1215 C LEU A 78 28.547 -10.531 2.091 1.00 45.51 C ATOM 1216 O LEU A 78 27.410 -10.563 2.563 1.00 34.25 O ATOM 1217 CB LEU A 78 29.563 -8.838 0.557 1.00 12.03 C ATOM 1218 CG LEU A 78 29.283 -7.380 0.192 1.00 43.31 C ATOM 1219 CD1 LEU A 78 27.845 -7.014 0.526 1.00 11.03 C ATOM 1220 CD2 LEU A 78 30.251 -6.454 0.914 1.00 43.44 C ATOM 0 H LEU A 78 31.420 -9.176 2.140 1.00 73.34 H new ATOM 0 HA LEU A 78 28.739 -8.443 2.502 1.00 51.53 H new ATOM 0 HB2 LEU A 78 30.600 -9.061 0.307 1.00 12.03 H new ATOM 0 HB3 LEU A 78 28.939 -9.475 -0.071 1.00 12.03 H new ATOM 0 HG LEU A 78 29.428 -7.260 -0.882 1.00 43.31 H new ATOM 0 HD11 LEU A 78 27.663 -5.973 0.260 1.00 11.03 H new ATOM 0 HD12 LEU A 78 27.166 -7.656 -0.036 1.00 11.03 H new ATOM 0 HD13 LEU A 78 27.673 -7.151 1.594 1.00 11.03 H new ATOM 0 HD21 LEU A 78 30.037 -5.420 0.642 1.00 43.44 H new ATOM 0 HD22 LEU A 78 30.137 -6.577 1.991 1.00 43.44 H new ATOM 0 HD23 LEU A 78 31.273 -6.700 0.627 1.00 43.44 H new ATOM 1232 N TYR A 79 29.166 -11.610 1.624 1.00 43.22 N ATOM 1233 CA TYR A 79 28.530 -12.922 1.636 1.00 1.22 C ATOM 1234 C TYR A 79 28.004 -13.259 3.028 1.00 62.25 C ATOM 1235 O TYR A 79 27.017 -13.978 3.174 1.00 62.53 O ATOM 1236 CB TYR A 79 29.518 -13.995 1.178 1.00 51.02 C ATOM 1237 CG TYR A 79 28.853 -15.215 0.581 1.00 32.22 C ATOM 1238 CD1 TYR A 79 28.442 -15.226 -0.746 1.00 64.31 C ATOM 1239 CD2 TYR A 79 28.636 -16.356 1.343 1.00 63.12 C ATOM 1240 CE1 TYR A 79 27.833 -16.337 -1.297 1.00 45.24 C ATOM 1241 CE2 TYR A 79 28.029 -17.473 0.801 1.00 12.14 C ATOM 1242 CZ TYR A 79 27.630 -17.459 -0.519 1.00 30.33 C ATOM 1243 OH TYR A 79 27.024 -18.568 -1.062 1.00 31.40 O ATOM 0 H TYR A 79 30.108 -11.602 1.232 1.00 43.22 H new ATOM 0 HA TYR A 79 27.687 -12.896 0.945 1.00 1.22 H new ATOM 0 HB2 TYR A 79 30.195 -13.563 0.441 1.00 51.02 H new ATOM 0 HB3 TYR A 79 30.127 -14.303 2.028 1.00 51.02 H new ATOM 0 HD1 TYR A 79 28.601 -14.350 -1.358 1.00 64.31 H new ATOM 0 HD2 TYR A 79 28.947 -16.370 2.377 1.00 63.12 H new ATOM 0 HE1 TYR A 79 27.518 -16.328 -2.330 1.00 45.24 H new ATOM 0 HE2 TYR A 79 27.868 -18.352 1.408 1.00 12.14 H new ATOM 0 HH TYR A 79 26.958 -19.271 -0.382 1.00 31.40 H new ATOM 1253 N ASN A 80 28.673 -12.735 4.050 1.00 34.34 N ATOM 1254 CA ASN A 80 28.275 -12.979 5.431 1.00 21.12 C ATOM 1255 C ASN A 80 26.978 -12.245 5.761 1.00 21.13 C ATOM 1256 O ASN A 80 25.985 -12.860 6.152 1.00 11.21 O ATOM 1257 CB ASN A 80 29.382 -12.537 6.389 1.00 12.35 C ATOM 1258 CG ASN A 80 30.344 -13.662 6.721 1.00 61.31 C ATOM 1259 OD1 ASN A 80 30.439 -14.094 7.869 1.00 71.21 O ATOM 1260 ND2 ASN A 80 31.062 -14.142 5.712 1.00 23.04 N ATOM 0 H ASN A 80 29.494 -12.138 3.947 1.00 34.34 H new ATOM 0 HA ASN A 80 28.107 -14.049 5.551 1.00 21.12 H new ATOM 0 HB2 ASN A 80 29.935 -11.710 5.944 1.00 12.35 H new ATOM 0 HB3 ASN A 80 28.934 -12.162 7.309 1.00 12.35 H new ATOM 0 HD21 ASN A 80 31.725 -14.900 5.873 1.00 23.04 H new ATOM 0 HD22 ASN A 80 30.950 -13.753 4.776 1.00 23.04 H new ATOM 1267 N THR A 81 26.994 -10.925 5.602 1.00 70.22 N ATOM 1268 CA THR A 81 25.821 -10.108 5.883 1.00 14.20 C ATOM 1269 C THR A 81 24.645 -10.513 5.003 1.00 10.43 C ATOM 1270 O THR A 81 23.530 -10.705 5.491 1.00 52.31 O ATOM 1271 CB THR A 81 26.116 -8.610 5.670 1.00 60.43 C ATOM 1272 OG1 THR A 81 27.340 -8.254 6.323 1.00 73.23 O ATOM 1273 CG2 THR A 81 24.980 -7.753 6.207 1.00 52.44 C ATOM 0 H THR A 81 27.807 -10.400 5.280 1.00 70.22 H new ATOM 0 HA THR A 81 25.562 -10.275 6.929 1.00 14.20 H new ATOM 0 HB THR A 81 26.211 -8.429 4.599 1.00 60.43 H new ATOM 0 HG1 THR A 81 28.087 -8.361 5.698 1.00 73.23 H new ATOM 0 HG21 THR A 81 25.211 -6.700 6.045 1.00 52.44 H new ATOM 0 HG22 THR A 81 24.056 -8.006 5.687 1.00 52.44 H new ATOM 0 HG23 THR A 81 24.858 -7.938 7.274 1.00 52.44 H new ATOM 1281 N ILE A 82 24.899 -10.640 3.705 1.00 12.01 N ATOM 1282 CA ILE A 82 23.859 -11.024 2.758 1.00 35.20 C ATOM 1283 C ILE A 82 23.210 -12.344 3.160 1.00 21.11 C ATOM 1284 O ILE A 82 22.063 -12.616 2.807 1.00 11.02 O ATOM 1285 CB ILE A 82 24.421 -11.156 1.330 1.00 33.04 C ATOM 1286 CG1 ILE A 82 25.051 -9.835 0.882 1.00 24.43 C ATOM 1287 CG2 ILE A 82 23.322 -11.579 0.366 1.00 13.43 C ATOM 1288 CD1 ILE A 82 25.997 -9.983 -0.288 1.00 13.41 C ATOM 0 H ILE A 82 25.815 -10.483 3.285 1.00 12.01 H new ATOM 0 HA ILE A 82 23.109 -10.233 2.774 1.00 35.20 H new ATOM 0 HB ILE A 82 25.194 -11.924 1.329 1.00 33.04 H new ATOM 0 HG12 ILE A 82 24.258 -9.137 0.612 1.00 24.43 H new ATOM 0 HG13 ILE A 82 25.590 -9.396 1.721 1.00 24.43 H new ATOM 0 HG21 ILE A 82 23.734 -11.668 -0.639 1.00 13.43 H new ATOM 0 HG22 ILE A 82 22.915 -12.541 0.678 1.00 13.43 H new ATOM 0 HG23 ILE A 82 22.529 -10.831 0.368 1.00 13.43 H new ATOM 0 HD11 ILE A 82 26.406 -9.007 -0.551 1.00 13.41 H new ATOM 0 HD12 ILE A 82 26.810 -10.656 -0.016 1.00 13.41 H new ATOM 0 HD13 ILE A 82 25.458 -10.393 -1.142 1.00 13.41 H new ATOM 1300 N ALA A 83 23.950 -13.160 3.902 1.00 12.41 N ATOM 1301 CA ALA A 83 23.445 -14.449 4.357 1.00 53.14 C ATOM 1302 C ALA A 83 22.466 -14.279 5.513 1.00 12.05 C ATOM 1303 O ALA A 83 21.294 -14.641 5.406 1.00 31.30 O ATOM 1304 CB ALA A 83 24.598 -15.353 4.768 1.00 43.21 C ATOM 0 H ALA A 83 24.902 -12.951 4.201 1.00 12.41 H new ATOM 0 HA ALA A 83 22.911 -14.914 3.529 1.00 53.14 H new ATOM 0 HB1 ALA A 83 24.206 -16.312 5.106 1.00 43.21 H new ATOM 0 HB2 ALA A 83 25.258 -15.511 3.915 1.00 43.21 H new ATOM 0 HB3 ALA A 83 25.157 -14.884 5.578 1.00 43.21 H new ATOM 1310 N VAL A 84 22.953 -13.726 6.619 1.00 32.32 N ATOM 1311 CA VAL A 84 22.120 -13.507 7.795 1.00 70.03 C ATOM 1312 C VAL A 84 20.840 -12.763 7.432 1.00 33.44 C ATOM 1313 O VAL A 84 19.773 -13.034 7.984 1.00 1.15 O ATOM 1314 CB VAL A 84 22.875 -12.710 8.877 1.00 64.40 C ATOM 1315 CG1 VAL A 84 22.037 -12.604 10.143 1.00 32.44 C ATOM 1316 CG2 VAL A 84 24.220 -13.356 9.171 1.00 5.42 C ATOM 0 H VAL A 84 23.921 -13.421 6.725 1.00 32.32 H new ATOM 0 HA VAL A 84 21.865 -14.491 8.190 1.00 70.03 H new ATOM 0 HB VAL A 84 23.055 -11.702 8.503 1.00 64.40 H new ATOM 0 HG11 VAL A 84 22.586 -12.038 10.896 1.00 32.44 H new ATOM 0 HG12 VAL A 84 21.100 -12.095 9.918 1.00 32.44 H new ATOM 0 HG13 VAL A 84 21.824 -13.603 10.523 1.00 32.44 H new ATOM 0 HG21 VAL A 84 24.740 -12.781 9.937 1.00 5.42 H new ATOM 0 HG22 VAL A 84 24.065 -14.375 9.525 1.00 5.42 H new ATOM 0 HG23 VAL A 84 24.821 -13.376 8.262 1.00 5.42 H new ATOM 1326 N LEU A 85 20.953 -11.824 6.499 1.00 2.33 N ATOM 1327 CA LEU A 85 19.804 -11.039 6.061 1.00 33.42 C ATOM 1328 C LEU A 85 18.899 -11.862 5.151 1.00 23.24 C ATOM 1329 O LEU A 85 17.677 -11.709 5.170 1.00 13.23 O ATOM 1330 CB LEU A 85 20.272 -9.779 5.329 1.00 21.24 C ATOM 1331 CG LEU A 85 19.291 -8.606 5.320 1.00 32.22 C ATOM 1332 CD1 LEU A 85 19.620 -7.627 6.436 1.00 4.30 C ATOM 1333 CD2 LEU A 85 19.312 -7.903 3.970 1.00 60.11 C ATOM 0 H LEU A 85 21.828 -11.588 6.031 1.00 2.33 H new ATOM 0 HA LEU A 85 19.235 -10.749 6.944 1.00 33.42 H new ATOM 0 HB2 LEU A 85 21.204 -9.444 5.784 1.00 21.24 H new ATOM 0 HB3 LEU A 85 20.499 -10.045 4.297 1.00 21.24 H new ATOM 0 HG LEU A 85 18.287 -8.996 5.489 1.00 32.22 H new ATOM 0 HD11 LEU A 85 18.912 -6.799 6.414 1.00 4.30 H new ATOM 0 HD12 LEU A 85 19.554 -8.136 7.398 1.00 4.30 H new ATOM 0 HD13 LEU A 85 20.631 -7.243 6.297 1.00 4.30 H new ATOM 0 HD21 LEU A 85 18.608 -7.071 3.982 1.00 60.11 H new ATOM 0 HD22 LEU A 85 20.315 -7.526 3.772 1.00 60.11 H new ATOM 0 HD23 LEU A 85 19.028 -8.608 3.188 1.00 60.11 H new ATOM 1345 N TYR A 86 19.504 -12.738 4.357 1.00 34.10 N ATOM 1346 CA TYR A 86 18.752 -13.585 3.439 1.00 24.41 C ATOM 1347 C TYR A 86 17.911 -14.604 4.204 1.00 53.21 C ATOM 1348 O TYR A 86 16.716 -14.754 3.949 1.00 65.41 O ATOM 1349 CB TYR A 86 19.703 -14.308 2.483 1.00 22.10 C ATOM 1350 CG TYR A 86 19.025 -15.359 1.634 1.00 5.14 C ATOM 1351 CD1 TYR A 86 18.165 -14.999 0.603 1.00 50.00 C ATOM 1352 CD2 TYR A 86 19.244 -16.712 1.861 1.00 40.34 C ATOM 1353 CE1 TYR A 86 17.543 -15.956 -0.175 1.00 53.01 C ATOM 1354 CE2 TYR A 86 18.628 -17.676 1.087 1.00 4.34 C ATOM 1355 CZ TYR A 86 17.777 -17.293 0.071 1.00 74.45 C ATOM 1356 OH TYR A 86 17.161 -18.249 -0.703 1.00 20.14 O ATOM 0 H TYR A 86 20.514 -12.880 4.331 1.00 34.10 H new ATOM 0 HA TYR A 86 18.083 -12.947 2.862 1.00 24.41 H new ATOM 0 HB2 TYR A 86 20.175 -13.574 1.830 1.00 22.10 H new ATOM 0 HB3 TYR A 86 20.498 -14.778 3.062 1.00 22.10 H new ATOM 0 HD1 TYR A 86 17.980 -13.953 0.407 1.00 50.00 H new ATOM 0 HD2 TYR A 86 19.908 -17.016 2.657 1.00 40.34 H new ATOM 0 HE1 TYR A 86 16.877 -15.659 -0.972 1.00 53.01 H new ATOM 0 HE2 TYR A 86 18.811 -18.723 1.276 1.00 4.34 H new ATOM 0 HH TYR A 86 17.433 -19.140 -0.400 1.00 20.14 H new ATOM 1366 N CYS A 87 18.545 -15.298 5.142 1.00 61.21 N ATOM 1367 CA CYS A 87 17.856 -16.303 5.945 1.00 40.51 C ATOM 1368 C CYS A 87 16.592 -15.724 6.573 1.00 72.23 C ATOM 1369 O CYS A 87 15.608 -16.435 6.781 1.00 12.20 O ATOM 1370 CB CYS A 87 18.785 -16.837 7.037 1.00 5.35 C ATOM 1371 SG CYS A 87 19.998 -18.042 6.450 1.00 2.50 S ATOM 0 H CYS A 87 19.534 -15.184 5.366 1.00 61.21 H new ATOM 0 HA CYS A 87 17.570 -17.124 5.288 1.00 40.51 H new ATOM 0 HB2 CYS A 87 19.312 -15.999 7.492 1.00 5.35 H new ATOM 0 HB3 CYS A 87 18.182 -17.297 7.820 1.00 5.35 H new ATOM 0 HG CYS A 87 20.441 -18.737 7.455 1.00 2.50 H new ATOM 1377 N VAL A 88 16.626 -14.430 6.874 1.00 71.21 N ATOM 1378 CA VAL A 88 15.484 -13.756 7.479 1.00 32.13 C ATOM 1379 C VAL A 88 14.318 -13.665 6.501 1.00 20.41 C ATOM 1380 O VAL A 88 13.177 -13.971 6.848 1.00 42.12 O ATOM 1381 CB VAL A 88 15.855 -12.337 7.951 1.00 51.25 C ATOM 1382 CG1 VAL A 88 14.675 -11.682 8.654 1.00 61.03 C ATOM 1383 CG2 VAL A 88 17.072 -12.381 8.863 1.00 51.41 C ATOM 0 H VAL A 88 17.432 -13.828 6.709 1.00 71.21 H new ATOM 0 HA VAL A 88 15.186 -14.352 8.342 1.00 32.13 H new ATOM 0 HB VAL A 88 16.105 -11.736 7.077 1.00 51.25 H new ATOM 0 HG11 VAL A 88 14.956 -10.681 8.980 1.00 61.03 H new ATOM 0 HG12 VAL A 88 13.832 -11.616 7.966 1.00 61.03 H new ATOM 0 HG13 VAL A 88 14.390 -12.279 9.520 1.00 61.03 H new ATOM 0 HG21 VAL A 88 17.320 -11.370 9.187 1.00 51.41 H new ATOM 0 HG22 VAL A 88 16.852 -12.998 9.734 1.00 51.41 H new ATOM 0 HG23 VAL A 88 17.917 -12.806 8.322 1.00 51.41 H new ATOM 1393 N HIS A 89 14.613 -13.243 5.275 1.00 62.34 N ATOM 1394 CA HIS A 89 13.589 -13.113 4.244 1.00 10.24 C ATOM 1395 C HIS A 89 13.011 -14.477 3.877 1.00 1.42 C ATOM 1396 O HIS A 89 11.815 -14.526 3.596 1.00 24.41 O ATOM 1397 CB HIS A 89 14.170 -12.442 2.999 1.00 71.53 C ATOM 1398 CG HIS A 89 14.693 -11.061 3.252 1.00 31.42 C ATOM 1399 ND1 HIS A 89 14.276 -10.281 4.309 1.00 31.30 N ATOM 1400 CD2 HIS A 89 15.604 -10.322 2.578 1.00 72.42 C ATOM 1401 CE1 HIS A 89 14.908 -9.122 4.273 1.00 12.23 C ATOM 1402 NE2 HIS A 89 15.721 -9.121 3.232 1.00 50.04 N ATOM 0 H HIS A 89 15.552 -12.985 4.972 1.00 62.34 H new ATOM 0 HA HIS A 89 12.786 -12.492 4.641 1.00 10.24 H new ATOM 0 HB2 HIS A 89 14.977 -13.061 2.606 1.00 71.53 H new ATOM 0 HB3 HIS A 89 13.400 -12.395 2.229 1.00 71.53 H new ATOM 0 HD2 HIS A 89 16.140 -10.622 1.690 1.00 72.42 H new ATOM 0 HE1 HIS A 89 14.781 -8.312 4.976 1.00 12.23 H new ATOM 0 HE2 HIS A 89 16.335 -8.354 2.959 1.00 50.04 H new ATOM 1411 N GLN A 90 13.800 -15.547 3.875 1.00 13.21 N ATOM 1412 CA GLN A 90 13.293 -16.869 3.531 1.00 74.13 C ATOM 1413 C GLN A 90 12.490 -17.461 4.684 1.00 2.24 C ATOM 1414 O GLN A 90 11.263 -17.546 4.619 1.00 72.41 O ATOM 1415 CB GLN A 90 14.448 -17.803 3.167 1.00 55.22 C ATOM 1416 CG GLN A 90 13.999 -19.197 2.759 1.00 44.51 C ATOM 1417 CD GLN A 90 14.315 -19.511 1.311 1.00 64.43 C ATOM 1418 OE1 GLN A 90 15.145 -20.373 1.018 1.00 64.50 O ATOM 1419 NE2 GLN A 90 13.653 -18.814 0.395 1.00 35.02 N ATOM 0 H GLN A 90 14.793 -15.523 4.108 1.00 13.21 H new ATOM 0 HA GLN A 90 12.634 -16.764 2.669 1.00 74.13 H new ATOM 0 HB2 GLN A 90 15.018 -17.361 2.350 1.00 55.22 H new ATOM 0 HB3 GLN A 90 15.122 -17.883 4.020 1.00 55.22 H new ATOM 0 HG2 GLN A 90 14.484 -19.933 3.401 1.00 44.51 H new ATOM 0 HG3 GLN A 90 12.925 -19.291 2.921 1.00 44.51 H new ATOM 0 HE21 GLN A 90 12.974 -18.109 0.683 1.00 35.02 H new ATOM 0 HE22 GLN A 90 13.823 -18.983 -0.596 1.00 35.02 H new ATOM 1428 N ARG A 91 13.188 -17.868 5.739 1.00 53.12 N ATOM 1429 CA ARG A 91 12.539 -18.453 6.906 1.00 30.14 C ATOM 1430 C ARG A 91 13.566 -18.816 7.975 1.00 74.43 C ATOM 1431 O ARG A 91 13.297 -18.707 9.170 1.00 11.44 O ATOM 1432 CB ARG A 91 11.745 -19.696 6.504 1.00 25.34 C ATOM 1433 CG ARG A 91 10.315 -19.699 7.022 1.00 22.33 C ATOM 1434 CD ARG A 91 9.604 -21.001 6.687 1.00 44.12 C ATOM 1435 NE ARG A 91 8.675 -21.404 7.740 1.00 12.34 N ATOM 1436 CZ ARG A 91 9.055 -21.985 8.872 1.00 43.35 C ATOM 1437 NH1 ARG A 91 10.339 -22.231 9.098 1.00 30.52 N ATOM 1438 NH2 ARG A 91 8.150 -22.323 9.783 1.00 74.51 N ATOM 0 H ARG A 91 14.203 -17.803 5.810 1.00 53.12 H new ATOM 0 HA ARG A 91 11.856 -17.712 7.320 1.00 30.14 H new ATOM 0 HB2 ARG A 91 11.729 -19.771 5.417 1.00 25.34 H new ATOM 0 HB3 ARG A 91 12.259 -20.582 6.877 1.00 25.34 H new ATOM 0 HG2 ARG A 91 10.318 -19.552 8.102 1.00 22.33 H new ATOM 0 HG3 ARG A 91 9.768 -18.862 6.588 1.00 22.33 H new ATOM 0 HD2 ARG A 91 9.061 -20.887 5.749 1.00 44.12 H new ATOM 0 HD3 ARG A 91 10.342 -21.788 6.534 1.00 44.12 H new ATOM 0 HE ARG A 91 7.680 -21.230 7.598 1.00 12.34 H new ATOM 0 HH11 ARG A 91 11.038 -21.974 8.401 1.00 30.52 H new ATOM 0 HH12 ARG A 91 10.627 -22.677 9.969 1.00 30.52 H new ATOM 0 HH21 ARG A 91 7.162 -22.136 9.614 1.00 74.51 H new ATOM 0 HH22 ARG A 91 8.443 -22.769 10.652 1.00 74.51 H new ATOM 1452 N ILE A 92 14.743 -19.248 7.534 1.00 34.21 N ATOM 1453 CA ILE A 92 15.810 -19.626 8.451 1.00 41.31 C ATOM 1454 C ILE A 92 16.074 -18.524 9.472 1.00 75.51 C ATOM 1455 O ILE A 92 16.297 -17.368 9.108 1.00 63.24 O ATOM 1456 CB ILE A 92 17.116 -19.938 7.698 1.00 51.54 C ATOM 1457 CG1 ILE A 92 16.892 -21.065 6.689 1.00 70.43 C ATOM 1458 CG2 ILE A 92 18.218 -20.310 8.680 1.00 14.24 C ATOM 1459 CD1 ILE A 92 17.315 -20.710 5.281 1.00 13.53 C ATOM 0 H ILE A 92 14.981 -19.345 6.547 1.00 34.21 H new ATOM 0 HA ILE A 92 15.477 -20.525 8.969 1.00 41.31 H new ATOM 0 HB ILE A 92 17.426 -19.046 7.154 1.00 51.54 H new ATOM 0 HG12 ILE A 92 17.444 -21.947 7.014 1.00 70.43 H new ATOM 0 HG13 ILE A 92 15.836 -21.333 6.685 1.00 70.43 H new ATOM 0 HG21 ILE A 92 19.135 -20.528 8.132 1.00 14.24 H new ATOM 0 HG22 ILE A 92 18.392 -19.479 9.363 1.00 14.24 H new ATOM 0 HG23 ILE A 92 17.917 -21.190 9.248 1.00 14.24 H new ATOM 0 HD11 ILE A 92 17.127 -21.556 4.620 1.00 13.53 H new ATOM 0 HD12 ILE A 92 16.745 -19.847 4.937 1.00 13.53 H new ATOM 0 HD13 ILE A 92 18.378 -20.470 5.270 1.00 13.53 H new ATOM 1471 N ASP A 93 16.050 -18.889 10.748 1.00 12.22 N ATOM 1472 CA ASP A 93 16.291 -17.931 11.822 1.00 61.02 C ATOM 1473 C ASP A 93 17.575 -18.267 12.573 1.00 61.22 C ATOM 1474 O ASP A 93 17.568 -18.430 13.793 1.00 53.23 O ATOM 1475 CB ASP A 93 15.108 -17.912 12.791 1.00 22.01 C ATOM 1476 CG ASP A 93 14.608 -19.304 13.122 1.00 21.44 C ATOM 1477 OD1 ASP A 93 15.415 -20.254 13.061 1.00 43.54 O ATOM 1478 OD2 ASP A 93 13.408 -19.444 13.439 1.00 3.01 O ATOM 0 H ASP A 93 15.866 -19.841 11.065 1.00 12.22 H new ATOM 0 HA ASP A 93 16.402 -16.943 11.376 1.00 61.02 H new ATOM 0 HB2 ASP A 93 15.404 -17.407 13.711 1.00 22.01 H new ATOM 0 HB3 ASP A 93 14.295 -17.331 12.356 1.00 22.01 H new ATOM 1483 N VAL A 94 18.676 -18.372 11.836 1.00 21.15 N ATOM 1484 CA VAL A 94 19.968 -18.689 12.431 1.00 42.21 C ATOM 1485 C VAL A 94 20.295 -17.735 13.575 1.00 61.31 C ATOM 1486 O VAL A 94 19.713 -16.656 13.684 1.00 44.41 O ATOM 1487 CB VAL A 94 21.098 -18.627 11.386 1.00 41.53 C ATOM 1488 CG1 VAL A 94 20.898 -19.693 10.319 1.00 1.44 C ATOM 1489 CG2 VAL A 94 21.172 -17.242 10.763 1.00 10.21 C ATOM 0 H VAL A 94 18.699 -18.242 10.825 1.00 21.15 H new ATOM 0 HA VAL A 94 19.897 -19.705 12.818 1.00 42.21 H new ATOM 0 HB VAL A 94 22.045 -18.824 11.888 1.00 41.53 H new ATOM 0 HG11 VAL A 94 21.706 -19.634 9.590 1.00 1.44 H new ATOM 0 HG12 VAL A 94 20.901 -20.679 10.784 1.00 1.44 H new ATOM 0 HG13 VAL A 94 19.944 -19.531 9.818 1.00 1.44 H new ATOM 0 HG21 VAL A 94 21.976 -17.216 10.027 1.00 10.21 H new ATOM 0 HG22 VAL A 94 20.225 -17.012 10.274 1.00 10.21 H new ATOM 0 HG23 VAL A 94 21.368 -16.503 11.540 1.00 10.21 H new ATOM 1499 N LYS A 95 21.232 -18.140 14.426 1.00 23.14 N ATOM 1500 CA LYS A 95 21.640 -17.322 15.562 1.00 20.33 C ATOM 1501 C LYS A 95 22.913 -16.545 15.244 1.00 31.24 C ATOM 1502 O LYS A 95 23.160 -15.480 15.811 1.00 41.02 O ATOM 1503 CB LYS A 95 21.860 -18.199 16.796 1.00 60.14 C ATOM 1504 CG LYS A 95 20.596 -18.881 17.291 1.00 64.44 C ATOM 1505 CD LYS A 95 20.915 -20.031 18.231 1.00 44.24 C ATOM 1506 CE LYS A 95 21.171 -21.322 17.467 1.00 42.12 C ATOM 1507 NZ LYS A 95 21.844 -22.344 18.315 1.00 61.35 N ATOM 0 H LYS A 95 21.723 -19.031 14.350 1.00 23.14 H new ATOM 0 HA LYS A 95 20.842 -16.609 15.769 1.00 20.33 H new ATOM 0 HB2 LYS A 95 22.605 -18.959 16.563 1.00 60.14 H new ATOM 0 HB3 LYS A 95 22.270 -17.586 17.599 1.00 60.14 H new ATOM 0 HG2 LYS A 95 19.966 -18.154 17.804 1.00 64.44 H new ATOM 0 HG3 LYS A 95 20.025 -19.253 16.440 1.00 64.44 H new ATOM 0 HD2 LYS A 95 21.791 -19.781 18.829 1.00 44.24 H new ATOM 0 HD3 LYS A 95 20.087 -20.176 18.925 1.00 44.24 H new ATOM 0 HE2 LYS A 95 20.225 -21.720 17.100 1.00 42.12 H new ATOM 0 HE3 LYS A 95 21.788 -21.111 16.594 1.00 42.12 H new ATOM 0 HZ1 LYS A 95 22.001 -23.208 17.758 1.00 61.35 H new ATOM 0 HZ2 LYS A 95 22.758 -21.974 18.645 1.00 61.35 H new ATOM 0 HZ3 LYS A 95 21.244 -22.565 19.135 1.00 61.35 H new ATOM 1521 N ASP A 96 23.716 -17.082 14.332 1.00 10.22 N ATOM 1522 CA ASP A 96 24.963 -16.438 13.936 1.00 12.23 C ATOM 1523 C ASP A 96 25.102 -16.410 12.418 1.00 31.34 C ATOM 1524 O ASP A 96 24.229 -16.891 11.694 1.00 33.13 O ATOM 1525 CB ASP A 96 26.156 -17.164 14.558 1.00 73.22 C ATOM 1526 CG ASP A 96 25.958 -18.666 14.609 1.00 21.53 C ATOM 1527 OD1 ASP A 96 26.179 -19.330 13.574 1.00 43.53 O ATOM 1528 OD2 ASP A 96 25.581 -19.178 15.684 1.00 0.20 O ATOM 0 H ASP A 96 23.526 -17.962 13.853 1.00 10.22 H new ATOM 0 HA ASP A 96 24.944 -15.410 14.299 1.00 12.23 H new ATOM 0 HB2 ASP A 96 27.054 -16.938 13.984 1.00 73.22 H new ATOM 0 HB3 ASP A 96 26.320 -16.788 15.568 1.00 73.22 H new ATOM 1533 N THR A 97 26.206 -15.843 11.940 1.00 22.32 N ATOM 1534 CA THR A 97 26.458 -15.751 10.507 1.00 3.22 C ATOM 1535 C THR A 97 26.939 -17.084 9.946 1.00 63.11 C ATOM 1536 O THR A 97 26.725 -17.389 8.772 1.00 40.31 O ATOM 1537 CB THR A 97 27.506 -14.666 10.191 1.00 21.53 C ATOM 1538 OG1 THR A 97 27.110 -13.419 10.772 1.00 1.22 O ATOM 1539 CG2 THR A 97 27.675 -14.500 8.688 1.00 30.13 C ATOM 0 H THR A 97 26.939 -15.441 12.524 1.00 22.32 H new ATOM 0 HA THR A 97 25.512 -15.482 10.036 1.00 3.22 H new ATOM 0 HB THR A 97 28.460 -14.978 10.616 1.00 21.53 H new ATOM 0 HG1 THR A 97 27.899 -12.956 11.122 1.00 1.22 H new ATOM 0 HG21 THR A 97 28.419 -13.729 8.489 1.00 30.13 H new ATOM 0 HG22 THR A 97 28.004 -15.443 8.252 1.00 30.13 H new ATOM 0 HG23 THR A 97 26.723 -14.208 8.245 1.00 30.13 H new ATOM 1547 N LYS A 98 27.588 -17.877 10.792 1.00 23.45 N ATOM 1548 CA LYS A 98 28.098 -19.180 10.382 1.00 3.44 C ATOM 1549 C LYS A 98 26.955 -20.119 10.011 1.00 24.31 C ATOM 1550 O LYS A 98 26.922 -20.667 8.910 1.00 71.20 O ATOM 1551 CB LYS A 98 28.936 -19.798 11.503 1.00 2.21 C ATOM 1552 CG LYS A 98 30.422 -19.507 11.382 1.00 30.30 C ATOM 1553 CD LYS A 98 31.217 -20.772 11.099 1.00 25.04 C ATOM 1554 CE LYS A 98 32.545 -20.456 10.429 1.00 53.43 C ATOM 1555 NZ LYS A 98 33.426 -21.654 10.354 1.00 61.23 N ATOM 0 H LYS A 98 27.773 -17.640 11.767 1.00 23.45 H new ATOM 0 HA LYS A 98 28.727 -19.036 9.503 1.00 3.44 H new ATOM 0 HB2 LYS A 98 28.578 -19.423 12.462 1.00 2.21 H new ATOM 0 HB3 LYS A 98 28.785 -20.877 11.506 1.00 2.21 H new ATOM 0 HG2 LYS A 98 30.588 -18.785 10.582 1.00 30.30 H new ATOM 0 HG3 LYS A 98 30.780 -19.050 12.304 1.00 30.30 H new ATOM 0 HD2 LYS A 98 31.397 -21.307 12.032 1.00 25.04 H new ATOM 0 HD3 LYS A 98 30.634 -21.434 10.459 1.00 25.04 H new ATOM 0 HE2 LYS A 98 32.363 -20.075 9.424 1.00 53.43 H new ATOM 0 HE3 LYS A 98 33.052 -19.666 10.983 1.00 53.43 H new ATOM 0 HZ1 LYS A 98 34.321 -21.398 9.891 1.00 61.23 H new ATOM 0 HZ2 LYS A 98 33.620 -22.003 11.314 1.00 61.23 H new ATOM 0 HZ3 LYS A 98 32.953 -22.399 9.804 1.00 61.23 H new ATOM 1569 N GLU A 99 26.018 -20.299 10.937 1.00 64.44 N ATOM 1570 CA GLU A 99 24.873 -21.172 10.705 1.00 41.00 C ATOM 1571 C GLU A 99 24.168 -20.811 9.400 1.00 52.24 C ATOM 1572 O GLU A 99 23.751 -21.688 8.645 1.00 14.21 O ATOM 1573 CB GLU A 99 23.887 -21.078 11.872 1.00 73.13 C ATOM 1574 CG GLU A 99 24.119 -22.122 12.951 1.00 54.04 C ATOM 1575 CD GLU A 99 23.093 -22.048 14.065 1.00 43.23 C ATOM 1576 OE1 GLU A 99 21.968 -21.574 13.803 1.00 51.50 O ATOM 1577 OE2 GLU A 99 23.415 -22.466 15.197 1.00 2.15 O ATOM 0 H GLU A 99 26.029 -19.852 11.854 1.00 64.44 H new ATOM 0 HA GLU A 99 25.239 -22.196 10.629 1.00 41.00 H new ATOM 0 HB2 GLU A 99 23.958 -20.086 12.317 1.00 73.13 H new ATOM 0 HB3 GLU A 99 22.872 -21.184 11.488 1.00 73.13 H new ATOM 0 HG2 GLU A 99 24.092 -23.115 12.502 1.00 54.04 H new ATOM 0 HG3 GLU A 99 25.116 -21.989 13.371 1.00 54.04 H new ATOM 1584 N ALA A 100 24.040 -19.513 9.144 1.00 72.42 N ATOM 1585 CA ALA A 100 23.389 -19.036 7.930 1.00 0.12 C ATOM 1586 C ALA A 100 24.219 -19.368 6.695 1.00 20.55 C ATOM 1587 O ALA A 100 23.677 -19.568 5.606 1.00 53.42 O ATOM 1588 CB ALA A 100 23.145 -17.537 8.018 1.00 74.00 C ATOM 0 H ALA A 100 24.378 -18.774 9.760 1.00 72.42 H new ATOM 0 HA ALA A 100 22.430 -19.545 7.837 1.00 0.12 H new ATOM 0 HB1 ALA A 100 22.658 -17.193 7.105 1.00 74.00 H new ATOM 0 HB2 ALA A 100 22.505 -17.322 8.874 1.00 74.00 H new ATOM 0 HB3 ALA A 100 24.097 -17.020 8.138 1.00 74.00 H new ATOM 1594 N LEU A 101 25.534 -19.424 6.868 1.00 42.53 N ATOM 1595 CA LEU A 101 26.440 -19.732 5.767 1.00 3.24 C ATOM 1596 C LEU A 101 26.391 -21.216 5.420 1.00 63.20 C ATOM 1597 O LEU A 101 26.770 -21.620 4.320 1.00 21.01 O ATOM 1598 CB LEU A 101 27.870 -19.327 6.128 1.00 22.34 C ATOM 1599 CG LEU A 101 28.649 -18.578 5.046 1.00 40.00 C ATOM 1600 CD1 LEU A 101 28.834 -19.454 3.818 1.00 61.03 C ATOM 1601 CD2 LEU A 101 27.939 -17.283 4.677 1.00 42.23 C ATOM 0 H LEU A 101 25.998 -19.260 7.761 1.00 42.53 H new ATOM 0 HA LEU A 101 26.118 -19.164 4.895 1.00 3.24 H new ATOM 0 HB2 LEU A 101 27.835 -18.702 7.021 1.00 22.34 H new ATOM 0 HB3 LEU A 101 28.426 -20.227 6.390 1.00 22.34 H new ATOM 0 HG LEU A 101 29.634 -18.329 5.441 1.00 40.00 H new ATOM 0 HD11 LEU A 101 29.390 -18.904 3.059 1.00 61.03 H new ATOM 0 HD12 LEU A 101 29.386 -20.353 4.092 1.00 61.03 H new ATOM 0 HD13 LEU A 101 27.858 -19.734 3.421 1.00 61.03 H new ATOM 0 HD21 LEU A 101 28.508 -16.763 3.906 1.00 42.23 H new ATOM 0 HD22 LEU A 101 26.941 -17.509 4.302 1.00 42.23 H new ATOM 0 HD23 LEU A 101 27.859 -16.648 5.559 1.00 42.23 H new ATOM 1613 N ASP A 102 25.920 -22.023 6.364 1.00 61.35 N ATOM 1614 CA ASP A 102 25.819 -23.464 6.157 1.00 1.50 C ATOM 1615 C ASP A 102 24.458 -23.835 5.577 1.00 2.43 C ATOM 1616 O ASP A 102 24.360 -24.678 4.685 1.00 1.24 O ATOM 1617 CB ASP A 102 26.044 -24.207 7.475 1.00 55.12 C ATOM 1618 CG ASP A 102 25.780 -25.694 7.354 1.00 52.04 C ATOM 1619 OD1 ASP A 102 26.576 -26.386 6.683 1.00 42.31 O ATOM 1620 OD2 ASP A 102 24.779 -26.168 7.930 1.00 2.35 O ATOM 0 H ASP A 102 25.602 -21.705 7.280 1.00 61.35 H new ATOM 0 HA ASP A 102 26.590 -23.759 5.446 1.00 1.50 H new ATOM 0 HB2 ASP A 102 27.070 -24.049 7.807 1.00 55.12 H new ATOM 0 HB3 ASP A 102 25.393 -23.787 8.241 1.00 55.12 H new ATOM 1625 N LYS A 103 23.409 -23.199 6.089 1.00 44.13 N ATOM 1626 CA LYS A 103 22.052 -23.462 5.623 1.00 74.03 C ATOM 1627 C LYS A 103 21.837 -22.888 4.226 1.00 74.43 C ATOM 1628 O LYS A 103 21.001 -23.377 3.466 1.00 41.43 O ATOM 1629 CB LYS A 103 21.032 -22.863 6.594 1.00 51.32 C ATOM 1630 CG LYS A 103 20.586 -23.828 7.678 1.00 44.02 C ATOM 1631 CD LYS A 103 19.569 -24.827 7.152 1.00 20.51 C ATOM 1632 CE LYS A 103 19.345 -25.966 8.135 1.00 5.12 C ATOM 1633 NZ LYS A 103 19.042 -27.247 7.440 1.00 24.32 N ATOM 0 H LYS A 103 23.473 -22.498 6.827 1.00 44.13 H new ATOM 0 HA LYS A 103 21.912 -24.542 5.579 1.00 74.03 H new ATOM 0 HB2 LYS A 103 21.464 -21.978 7.062 1.00 51.32 H new ATOM 0 HB3 LYS A 103 20.159 -22.532 6.032 1.00 51.32 H new ATOM 0 HG2 LYS A 103 21.452 -24.361 8.070 1.00 44.02 H new ATOM 0 HG3 LYS A 103 20.153 -23.269 8.508 1.00 44.02 H new ATOM 0 HD2 LYS A 103 18.624 -24.319 6.961 1.00 20.51 H new ATOM 0 HD3 LYS A 103 19.913 -25.230 6.199 1.00 20.51 H new ATOM 0 HE2 LYS A 103 20.233 -26.090 8.755 1.00 5.12 H new ATOM 0 HE3 LYS A 103 18.522 -25.712 8.804 1.00 5.12 H new ATOM 0 HZ1 LYS A 103 18.896 -27.998 8.144 1.00 24.32 H new ATOM 0 HZ2 LYS A 103 18.180 -27.136 6.868 1.00 24.32 H new ATOM 0 HZ3 LYS A 103 19.838 -27.503 6.821 1.00 24.32 H new ATOM 1647 N ILE A 104 22.598 -21.850 3.894 1.00 62.14 N ATOM 1648 CA ILE A 104 22.492 -21.213 2.587 1.00 60.10 C ATOM 1649 C ILE A 104 22.877 -22.178 1.472 1.00 74.35 C ATOM 1650 O ILE A 104 22.398 -22.062 0.345 1.00 73.41 O ATOM 1651 CB ILE A 104 23.382 -19.960 2.498 1.00 34.23 C ATOM 1652 CG1 ILE A 104 23.050 -19.160 1.237 1.00 35.42 C ATOM 1653 CG2 ILE A 104 24.852 -20.352 2.510 1.00 44.15 C ATOM 1654 CD1 ILE A 104 22.521 -17.772 1.523 1.00 71.24 C ATOM 0 H ILE A 104 23.294 -21.433 4.512 1.00 62.14 H new ATOM 0 HA ILE A 104 21.450 -20.918 2.463 1.00 60.10 H new ATOM 0 HB ILE A 104 23.186 -19.332 3.367 1.00 34.23 H new ATOM 0 HG12 ILE A 104 23.946 -19.079 0.622 1.00 35.42 H new ATOM 0 HG13 ILE A 104 22.311 -19.708 0.653 1.00 35.42 H new ATOM 0 HG21 ILE A 104 25.468 -19.455 2.446 1.00 44.15 H new ATOM 0 HG22 ILE A 104 25.079 -20.884 3.434 1.00 44.15 H new ATOM 0 HG23 ILE A 104 25.063 -20.998 1.658 1.00 44.15 H new ATOM 0 HD11 ILE A 104 22.307 -17.263 0.583 1.00 71.24 H new ATOM 0 HD12 ILE A 104 21.607 -17.845 2.112 1.00 71.24 H new ATOM 0 HD13 ILE A 104 23.267 -17.206 2.080 1.00 71.24 H new ATOM 1666 N GLU A 105 23.747 -23.131 1.795 1.00 5.24 N ATOM 1667 CA GLU A 105 24.196 -24.118 0.819 1.00 1.41 C ATOM 1668 C GLU A 105 23.165 -25.231 0.657 1.00 0.35 C ATOM 1669 O GLU A 105 23.010 -25.794 -0.426 1.00 75.12 O ATOM 1670 CB GLU A 105 25.541 -24.710 1.244 1.00 71.34 C ATOM 1671 CG GLU A 105 26.700 -24.288 0.357 1.00 63.33 C ATOM 1672 CD GLU A 105 26.551 -24.779 -1.070 1.00 20.21 C ATOM 1673 OE1 GLU A 105 25.815 -25.765 -1.286 1.00 30.01 O ATOM 1674 OE2 GLU A 105 27.169 -24.175 -1.972 1.00 74.34 O ATOM 0 H GLU A 105 24.154 -23.240 2.724 1.00 5.24 H new ATOM 0 HA GLU A 105 24.315 -23.616 -0.141 1.00 1.41 H new ATOM 0 HB2 GLU A 105 25.752 -24.410 2.270 1.00 71.34 H new ATOM 0 HB3 GLU A 105 25.468 -25.798 1.238 1.00 71.34 H new ATOM 0 HG2 GLU A 105 26.776 -23.201 0.357 1.00 63.33 H new ATOM 0 HG3 GLU A 105 27.631 -24.672 0.774 1.00 63.33 H new ATOM 1681 N GLU A 106 22.463 -25.543 1.742 1.00 73.25 N ATOM 1682 CA GLU A 106 21.448 -26.590 1.720 1.00 14.21 C ATOM 1683 C GLU A 106 20.183 -26.105 1.018 1.00 64.32 C ATOM 1684 O GLU A 106 19.575 -26.838 0.238 1.00 61.24 O ATOM 1685 CB GLU A 106 21.116 -27.038 3.144 1.00 1.03 C ATOM 1686 CG GLU A 106 21.958 -28.207 3.627 1.00 1.42 C ATOM 1687 CD GLU A 106 21.123 -29.421 3.982 1.00 5.13 C ATOM 1688 OE1 GLU A 106 20.512 -29.424 5.072 1.00 71.22 O ATOM 1689 OE2 GLU A 106 21.080 -30.369 3.170 1.00 32.24 O ATOM 0 H GLU A 106 22.578 -25.086 2.647 1.00 73.25 H new ATOM 0 HA GLU A 106 21.848 -27.438 1.165 1.00 14.21 H new ATOM 0 HB2 GLU A 106 21.255 -26.196 3.822 1.00 1.03 H new ATOM 0 HB3 GLU A 106 20.063 -27.315 3.192 1.00 1.03 H new ATOM 0 HG2 GLU A 106 22.675 -28.478 2.852 1.00 1.42 H new ATOM 0 HG3 GLU A 106 22.534 -27.899 4.500 1.00 1.42 H new ATOM 1696 N GLU A 107 19.792 -24.867 1.302 1.00 55.54 N ATOM 1697 CA GLU A 107 18.599 -24.286 0.699 1.00 2.51 C ATOM 1698 C GLU A 107 18.788 -24.089 -0.801 1.00 32.33 C ATOM 1699 O GLU A 107 17.857 -24.275 -1.584 1.00 11.13 O ATOM 1700 CB GLU A 107 18.264 -22.949 1.364 1.00 34.23 C ATOM 1701 CG GLU A 107 16.888 -22.914 2.005 1.00 63.35 C ATOM 1702 CD GLU A 107 15.772 -23.151 1.006 1.00 74.24 C ATOM 1703 OE1 GLU A 107 16.009 -22.957 -0.205 1.00 64.31 O ATOM 1704 OE2 GLU A 107 14.662 -23.530 1.435 1.00 34.10 O ATOM 0 H GLU A 107 20.284 -24.247 1.946 1.00 55.54 H new ATOM 0 HA GLU A 107 17.771 -24.978 0.854 1.00 2.51 H new ATOM 0 HB2 GLU A 107 19.015 -22.733 2.124 1.00 34.23 H new ATOM 0 HB3 GLU A 107 18.328 -22.156 0.619 1.00 34.23 H new ATOM 0 HG2 GLU A 107 16.837 -23.671 2.788 1.00 63.35 H new ATOM 0 HG3 GLU A 107 16.740 -21.947 2.486 1.00 63.35 H new ATOM 1711 N GLN A 108 20.000 -23.709 -1.194 1.00 30.21 N ATOM 1712 CA GLN A 108 20.311 -23.485 -2.600 1.00 70.43 C ATOM 1713 C GLN A 108 20.125 -24.764 -3.411 1.00 41.34 C ATOM 1714 O GLN A 108 19.606 -24.734 -4.525 1.00 4.10 O ATOM 1715 CB GLN A 108 21.746 -22.976 -2.752 1.00 20.14 C ATOM 1716 CG GLN A 108 22.021 -22.323 -4.097 1.00 70.45 C ATOM 1717 CD GLN A 108 23.026 -21.192 -4.002 1.00 73.43 C ATOM 1718 OE1 GLN A 108 23.806 -21.118 -3.053 1.00 11.31 O ATOM 1719 NE2 GLN A 108 23.012 -20.304 -4.990 1.00 51.40 N ATOM 0 H GLN A 108 20.782 -23.550 -0.558 1.00 30.21 H new ATOM 0 HA GLN A 108 19.622 -22.731 -2.982 1.00 70.43 H new ATOM 0 HB2 GLN A 108 21.953 -22.257 -1.959 1.00 20.14 H new ATOM 0 HB3 GLN A 108 22.435 -23.810 -2.615 1.00 20.14 H new ATOM 0 HG2 GLN A 108 22.391 -23.076 -4.793 1.00 70.45 H new ATOM 0 HG3 GLN A 108 21.087 -21.940 -4.509 1.00 70.45 H new ATOM 0 HE21 GLN A 108 22.347 -20.405 -5.757 1.00 51.40 H new ATOM 0 HE22 GLN A 108 23.666 -19.521 -4.981 1.00 51.40 H new ATOM 1728 N ASN A 109 20.554 -25.886 -2.842 1.00 25.04 N ATOM 1729 CA ASN A 109 20.434 -27.177 -3.512 1.00 10.41 C ATOM 1730 C ASN A 109 18.969 -27.536 -3.742 1.00 74.25 C ATOM 1731 O ASN A 109 18.637 -28.258 -4.683 1.00 34.14 O ATOM 1732 CB ASN A 109 21.114 -28.269 -2.684 1.00 45.20 C ATOM 1733 CG ASN A 109 21.504 -29.470 -3.522 1.00 64.42 C ATOM 1734 OD1 ASN A 109 21.289 -29.492 -4.734 1.00 63.32 O ATOM 1735 ND2 ASN A 109 22.080 -30.479 -2.879 1.00 50.32 N ATOM 0 H ASN A 109 20.987 -25.928 -1.920 1.00 25.04 H new ATOM 0 HA ASN A 109 20.928 -27.103 -4.481 1.00 10.41 H new ATOM 0 HB2 ASN A 109 22.003 -27.858 -2.206 1.00 45.20 H new ATOM 0 HB3 ASN A 109 20.443 -28.588 -1.887 1.00 45.20 H new ATOM 0 HD21 ASN A 109 22.363 -31.315 -3.391 1.00 50.32 H new ATOM 0 HD22 ASN A 109 22.239 -30.418 -1.873 1.00 50.32 H new ATOM 1742 N LYS A 110 18.098 -27.027 -2.879 1.00 23.42 N ATOM 1743 CA LYS A 110 16.667 -27.292 -2.989 1.00 42.35 C ATOM 1744 C LYS A 110 16.035 -26.425 -4.073 1.00 41.24 C ATOM 1745 O LYS A 110 15.037 -26.807 -4.682 1.00 24.33 O ATOM 1746 CB LYS A 110 15.976 -27.035 -1.648 1.00 22.11 C ATOM 1747 CG LYS A 110 15.993 -28.234 -0.716 1.00 44.45 C ATOM 1748 CD LYS A 110 14.710 -29.041 -0.821 1.00 54.22 C ATOM 1749 CE LYS A 110 14.005 -29.144 0.522 1.00 4.32 C ATOM 1750 NZ LYS A 110 13.637 -27.804 1.060 1.00 74.34 N ATOM 0 H LYS A 110 18.357 -26.428 -2.095 1.00 23.42 H new ATOM 0 HA LYS A 110 16.536 -28.339 -3.264 1.00 42.35 H new ATOM 0 HB2 LYS A 110 16.462 -26.194 -1.154 1.00 22.11 H new ATOM 0 HB3 LYS A 110 14.942 -26.743 -1.832 1.00 22.11 H new ATOM 0 HG2 LYS A 110 16.845 -28.870 -0.956 1.00 44.45 H new ATOM 0 HG3 LYS A 110 16.128 -27.895 0.311 1.00 44.45 H new ATOM 0 HD2 LYS A 110 14.044 -28.575 -1.548 1.00 54.22 H new ATOM 0 HD3 LYS A 110 14.937 -30.041 -1.192 1.00 54.22 H new ATOM 0 HE2 LYS A 110 13.106 -29.752 0.415 1.00 4.32 H new ATOM 0 HE3 LYS A 110 14.653 -29.656 1.234 1.00 4.32 H new ATOM 0 HZ1 LYS A 110 12.819 -27.898 1.696 1.00 74.34 H new ATOM 0 HZ2 LYS A 110 14.442 -27.409 1.587 1.00 74.34 H new ATOM 0 HZ3 LYS A 110 13.393 -27.169 0.273 1.00 74.34 H new ATOM 1764 N SER A 111 16.625 -25.258 -4.309 1.00 13.04 N ATOM 1765 CA SER A 111 16.118 -24.335 -5.319 1.00 4.21 C ATOM 1766 C SER A 111 17.022 -24.323 -6.547 1.00 42.42 C ATOM 1767 O SER A 111 17.206 -23.288 -7.187 1.00 55.23 O ATOM 1768 CB SER A 111 16.005 -22.923 -4.740 1.00 70.03 C ATOM 1769 OG SER A 111 15.127 -22.124 -5.513 1.00 11.44 O ATOM 0 H SER A 111 17.454 -24.929 -3.815 1.00 13.04 H new ATOM 0 HA SER A 111 15.128 -24.676 -5.622 1.00 4.21 H new ATOM 0 HB2 SER A 111 15.645 -22.976 -3.713 1.00 70.03 H new ATOM 0 HB3 SER A 111 16.991 -22.459 -4.709 1.00 70.03 H new ATOM 0 HG SER A 111 15.414 -22.136 -6.450 1.00 11.44 H new ATOM 1775 N LYS A 112 17.583 -25.483 -6.871 1.00 53.13 N ATOM 1776 CA LYS A 112 18.469 -25.609 -8.023 1.00 2.03 C ATOM 1777 C LYS A 112 17.668 -25.820 -9.304 1.00 30.14 C ATOM 1778 O LYS A 112 18.079 -25.392 -10.383 1.00 3.23 O ATOM 1779 CB LYS A 112 19.441 -26.773 -7.820 1.00 44.05 C ATOM 1780 CG LYS A 112 20.430 -26.945 -8.960 1.00 55.31 C ATOM 1781 CD LYS A 112 21.783 -27.424 -8.457 1.00 25.42 C ATOM 1782 CE LYS A 112 21.927 -28.932 -8.599 1.00 3.22 C ATOM 1783 NZ LYS A 112 23.307 -29.321 -9.002 1.00 3.21 N ATOM 0 H LYS A 112 17.440 -26.350 -6.352 1.00 53.13 H new ATOM 0 HA LYS A 112 19.036 -24.683 -8.117 1.00 2.03 H new ATOM 0 HB2 LYS A 112 19.992 -26.618 -6.892 1.00 44.05 H new ATOM 0 HB3 LYS A 112 18.871 -27.695 -7.702 1.00 44.05 H new ATOM 0 HG2 LYS A 112 20.035 -27.660 -9.681 1.00 55.31 H new ATOM 0 HG3 LYS A 112 20.550 -25.997 -9.485 1.00 55.31 H new ATOM 0 HD2 LYS A 112 22.577 -26.927 -9.015 1.00 25.42 H new ATOM 0 HD3 LYS A 112 21.904 -27.142 -7.411 1.00 25.42 H new ATOM 0 HE2 LYS A 112 21.676 -29.412 -7.653 1.00 3.22 H new ATOM 0 HE3 LYS A 112 21.216 -29.297 -9.340 1.00 3.22 H new ATOM 0 HZ1 LYS A 112 23.365 -30.356 -9.088 1.00 3.21 H new ATOM 0 HZ2 LYS A 112 23.538 -28.884 -9.917 1.00 3.21 H new ATOM 0 HZ3 LYS A 112 23.984 -28.995 -8.282 1.00 3.21 H new ATOM 1797 N LYS A 113 16.522 -26.480 -9.178 1.00 12.30 N ATOM 1798 CA LYS A 113 15.661 -26.745 -10.324 1.00 72.40 C ATOM 1799 C LYS A 113 14.733 -25.565 -10.592 1.00 11.33 C ATOM 1800 O LYS A 113 14.351 -25.308 -11.734 1.00 5.12 O ATOM 1801 CB LYS A 113 14.836 -28.012 -10.087 1.00 52.50 C ATOM 1802 CG LYS A 113 14.524 -28.782 -11.358 1.00 53.13 C ATOM 1803 CD LYS A 113 14.338 -30.264 -11.082 1.00 2.31 C ATOM 1804 CE LYS A 113 12.928 -30.568 -10.597 1.00 5.41 C ATOM 1805 NZ LYS A 113 12.926 -31.544 -9.471 1.00 33.53 N ATOM 0 H LYS A 113 16.168 -26.842 -8.292 1.00 12.30 H new ATOM 0 HA LYS A 113 16.297 -26.891 -11.197 1.00 72.40 H new ATOM 0 HB2 LYS A 113 15.376 -28.664 -9.401 1.00 52.50 H new ATOM 0 HB3 LYS A 113 13.900 -27.740 -9.598 1.00 52.50 H new ATOM 0 HG2 LYS A 113 13.620 -28.380 -11.815 1.00 53.13 H new ATOM 0 HG3 LYS A 113 15.333 -28.644 -12.076 1.00 53.13 H new ATOM 0 HD2 LYS A 113 14.542 -30.833 -11.989 1.00 2.31 H new ATOM 0 HD3 LYS A 113 15.060 -30.589 -10.333 1.00 2.31 H new ATOM 0 HE2 LYS A 113 12.447 -29.644 -10.277 1.00 5.41 H new ATOM 0 HE3 LYS A 113 12.338 -30.965 -11.423 1.00 5.41 H new ATOM 0 HZ1 LYS A 113 11.947 -31.724 -9.170 1.00 33.53 H new ATOM 0 HZ2 LYS A 113 13.362 -32.435 -9.783 1.00 33.53 H new ATOM 0 HZ3 LYS A 113 13.468 -31.155 -8.673 1.00 33.53 H new ATOM 1819 N LYS A 114 14.374 -24.847 -9.533 1.00 42.53 N ATOM 1820 CA LYS A 114 13.494 -23.691 -9.653 1.00 65.42 C ATOM 1821 C LYS A 114 14.298 -22.397 -9.694 1.00 32.42 C ATOM 1822 O LYS A 114 13.812 -21.341 -9.290 1.00 32.44 O ATOM 1823 CB LYS A 114 12.506 -23.654 -8.485 1.00 1.35 C ATOM 1824 CG LYS A 114 11.666 -24.913 -8.357 1.00 63.14 C ATOM 1825 CD LYS A 114 10.184 -24.590 -8.274 1.00 11.04 C ATOM 1826 CE LYS A 114 9.731 -24.413 -6.833 1.00 42.23 C ATOM 1827 NZ LYS A 114 9.373 -25.712 -6.200 1.00 60.54 N ATOM 0 H LYS A 114 14.680 -25.046 -8.580 1.00 42.53 H new ATOM 0 HA LYS A 114 12.940 -23.783 -10.587 1.00 65.42 H new ATOM 0 HB2 LYS A 114 13.058 -23.500 -7.558 1.00 1.35 H new ATOM 0 HB3 LYS A 114 11.844 -22.797 -8.607 1.00 1.35 H new ATOM 0 HG2 LYS A 114 11.850 -25.563 -9.213 1.00 63.14 H new ATOM 0 HG3 LYS A 114 11.969 -25.465 -7.467 1.00 63.14 H new ATOM 0 HD2 LYS A 114 9.977 -23.679 -8.836 1.00 11.04 H new ATOM 0 HD3 LYS A 114 9.610 -25.390 -8.741 1.00 11.04 H new ATOM 0 HE2 LYS A 114 10.525 -23.936 -6.259 1.00 42.23 H new ATOM 0 HE3 LYS A 114 8.870 -23.745 -6.802 1.00 42.23 H new ATOM 0 HZ1 LYS A 114 9.070 -25.548 -5.219 1.00 60.54 H new ATOM 0 HZ2 LYS A 114 8.598 -26.156 -6.733 1.00 60.54 H new ATOM 0 HZ3 LYS A 114 10.201 -26.341 -6.206 1.00 60.54 H new ATOM 1841 N ALA A 115 15.529 -22.485 -10.187 1.00 25.04 N ATOM 1842 CA ALA A 115 16.398 -21.320 -10.284 1.00 54.32 C ATOM 1843 C ALA A 115 16.095 -20.511 -11.541 1.00 72.43 C ATOM 1844 O ALA A 115 16.295 -19.298 -11.574 1.00 43.55 O ATOM 1845 CB ALA A 115 17.859 -21.748 -10.270 1.00 3.52 C ATOM 0 H ALA A 115 15.947 -23.352 -10.525 1.00 25.04 H new ATOM 0 HA ALA A 115 16.208 -20.684 -9.419 1.00 54.32 H new ATOM 0 HB1 ALA A 115 18.497 -20.867 -10.343 1.00 3.52 H new ATOM 0 HB2 ALA A 115 18.075 -22.276 -9.341 1.00 3.52 H new ATOM 0 HB3 ALA A 115 18.053 -22.408 -11.116 1.00 3.52 H new ATOM 1851 N GLN A 116 15.612 -21.193 -12.575 1.00 4.14 N ATOM 1852 CA GLN A 116 15.281 -20.538 -13.835 1.00 51.35 C ATOM 1853 C GLN A 116 13.958 -19.786 -13.728 1.00 60.15 C ATOM 1854 O GLN A 116 13.750 -18.780 -14.404 1.00 41.21 O ATOM 1855 CB GLN A 116 15.208 -21.566 -14.965 1.00 55.51 C ATOM 1856 CG GLN A 116 16.569 -22.076 -15.413 1.00 43.32 C ATOM 1857 CD GLN A 116 16.643 -23.591 -15.442 1.00 20.33 C ATOM 1858 OE1 GLN A 116 16.446 -24.253 -14.424 1.00 44.14 O ATOM 1859 NE2 GLN A 116 16.928 -24.146 -16.614 1.00 35.31 N ATOM 0 H GLN A 116 15.441 -22.199 -12.565 1.00 4.14 H new ATOM 0 HA GLN A 116 16.069 -19.819 -14.059 1.00 51.35 H new ATOM 0 HB2 GLN A 116 14.602 -22.411 -14.638 1.00 55.51 H new ATOM 0 HB3 GLN A 116 14.698 -21.120 -15.818 1.00 55.51 H new ATOM 0 HG2 GLN A 116 16.790 -21.686 -16.407 1.00 43.32 H new ATOM 0 HG3 GLN A 116 17.336 -21.691 -14.741 1.00 43.32 H new ATOM 0 HE21 GLN A 116 17.084 -23.558 -17.432 1.00 35.31 H new ATOM 0 HE22 GLN A 116 16.991 -25.161 -16.696 1.00 35.31 H new ATOM 1868 N GLN A 117 13.068 -20.285 -12.876 1.00 51.50 N ATOM 1869 CA GLN A 117 11.765 -19.660 -12.683 1.00 51.31 C ATOM 1870 C GLN A 117 11.915 -18.245 -12.133 1.00 42.12 C ATOM 1871 O GLN A 117 11.150 -17.348 -12.484 1.00 74.51 O ATOM 1872 CB GLN A 117 10.910 -20.500 -11.733 1.00 65.13 C ATOM 1873 CG GLN A 117 9.657 -21.068 -12.382 1.00 51.20 C ATOM 1874 CD GLN A 117 8.401 -20.321 -11.977 1.00 62.52 C ATOM 1875 OE1 GLN A 117 8.444 -19.129 -11.674 1.00 33.24 O ATOM 1876 NE2 GLN A 117 7.273 -21.022 -11.970 1.00 61.14 N ATOM 0 H GLN A 117 13.225 -21.119 -12.310 1.00 51.50 H new ATOM 0 HA GLN A 117 11.271 -19.603 -13.653 1.00 51.31 H new ATOM 0 HB2 GLN A 117 11.513 -21.322 -11.346 1.00 65.13 H new ATOM 0 HB3 GLN A 117 10.621 -19.887 -10.880 1.00 65.13 H new ATOM 0 HG2 GLN A 117 9.764 -21.030 -13.466 1.00 51.20 H new ATOM 0 HG3 GLN A 117 9.555 -22.118 -12.109 1.00 51.20 H new ATOM 0 HE21 GLN A 117 7.284 -22.009 -12.229 1.00 61.14 H new ATOM 0 HE22 GLN A 117 6.396 -20.574 -11.706 1.00 61.14 H new ATOM 1885 N ALA A 118 12.906 -18.054 -11.268 1.00 72.10 N ATOM 1886 CA ALA A 118 13.157 -16.748 -10.672 1.00 52.10 C ATOM 1887 C ALA A 118 13.621 -15.744 -11.722 1.00 62.03 C ATOM 1888 O ALA A 118 13.352 -14.548 -11.612 1.00 73.25 O ATOM 1889 CB ALA A 118 14.189 -16.865 -9.559 1.00 64.22 C ATOM 0 H ALA A 118 13.547 -18.787 -10.965 1.00 72.10 H new ATOM 0 HA ALA A 118 12.221 -16.384 -10.249 1.00 52.10 H new ATOM 0 HB1 ALA A 118 14.367 -15.882 -9.123 1.00 64.22 H new ATOM 0 HB2 ALA A 118 13.819 -17.542 -8.789 1.00 64.22 H new ATOM 0 HB3 ALA A 118 15.122 -17.255 -9.967 1.00 64.22 H new ATOM 1895 N ALA A 119 14.318 -16.239 -12.739 1.00 71.14 N ATOM 1896 CA ALA A 119 14.818 -15.386 -13.810 1.00 20.21 C ATOM 1897 C ALA A 119 13.672 -14.704 -14.549 1.00 24.22 C ATOM 1898 O ALA A 119 13.797 -13.562 -14.990 1.00 64.41 O ATOM 1899 CB ALA A 119 15.665 -16.197 -14.780 1.00 2.33 C ATOM 0 H ALA A 119 14.549 -17.227 -12.844 1.00 71.14 H new ATOM 0 HA ALA A 119 15.440 -14.611 -13.362 1.00 20.21 H new ATOM 0 HB1 ALA A 119 16.031 -15.547 -15.574 1.00 2.33 H new ATOM 0 HB2 ALA A 119 16.511 -16.632 -14.248 1.00 2.33 H new ATOM 0 HB3 ALA A 119 15.060 -16.993 -15.213 1.00 2.33 H new ATOM 1905 N ALA A 120 12.554 -15.412 -14.681 1.00 51.41 N ATOM 1906 CA ALA A 120 11.386 -14.875 -15.366 1.00 5.25 C ATOM 1907 C ALA A 120 10.461 -14.153 -14.390 1.00 51.44 C ATOM 1908 O ALA A 120 10.519 -14.381 -13.182 1.00 62.14 O ATOM 1909 CB ALA A 120 10.635 -15.988 -16.081 1.00 33.23 C ATOM 0 H ALA A 120 12.434 -16.359 -14.322 1.00 51.41 H new ATOM 0 HA ALA A 120 11.730 -14.151 -16.105 1.00 5.25 H new ATOM 0 HB1 ALA A 120 9.765 -15.572 -16.588 1.00 33.23 H new ATOM 0 HB2 ALA A 120 11.292 -16.458 -16.813 1.00 33.23 H new ATOM 0 HB3 ALA A 120 10.310 -16.733 -15.354 1.00 33.23 H new ATOM 1915 N ASP A 121 9.612 -13.282 -14.922 1.00 75.10 N ATOM 1916 CA ASP A 121 8.675 -12.526 -14.098 1.00 60.02 C ATOM 1917 C ASP A 121 9.411 -11.504 -13.238 1.00 10.22 C ATOM 1918 O ASP A 121 9.394 -10.306 -13.526 1.00 4.30 O ATOM 1919 CB ASP A 121 7.868 -13.473 -13.209 1.00 24.04 C ATOM 1920 CG ASP A 121 6.392 -13.478 -13.558 1.00 53.03 C ATOM 1921 OD1 ASP A 121 5.734 -12.434 -13.368 1.00 63.40 O ATOM 1922 OD2 ASP A 121 5.897 -14.526 -14.023 1.00 43.13 O ATOM 0 H ASP A 121 9.553 -13.081 -15.920 1.00 75.10 H new ATOM 0 HA ASP A 121 7.993 -11.993 -14.761 1.00 60.02 H new ATOM 0 HB2 ASP A 121 8.265 -14.484 -13.306 1.00 24.04 H new ATOM 0 HB3 ASP A 121 7.991 -13.181 -12.166 1.00 24.04 H new ATOM 1927 N THR A 122 10.055 -11.983 -12.178 1.00 72.42 N ATOM 1928 CA THR A 122 10.795 -11.111 -11.274 1.00 62.52 C ATOM 1929 C THR A 122 9.925 -9.958 -10.789 1.00 1.52 C ATOM 1930 O THR A 122 10.087 -8.819 -11.225 1.00 24.04 O ATOM 1931 CB THR A 122 12.056 -10.540 -11.952 1.00 3.45 C ATOM 1932 OG1 THR A 122 12.665 -11.539 -12.775 1.00 70.10 O ATOM 1933 CG2 THR A 122 13.053 -10.052 -10.911 1.00 72.45 C ATOM 0 H THR A 122 10.079 -12.971 -11.924 1.00 72.42 H new ATOM 0 HA THR A 122 11.095 -11.720 -10.421 1.00 62.52 H new ATOM 0 HB THR A 122 11.759 -9.694 -12.572 1.00 3.45 H new ATOM 0 HG1 THR A 122 12.761 -12.370 -12.264 1.00 70.10 H new ATOM 0 HG21 THR A 122 13.935 -9.653 -11.411 1.00 72.45 H new ATOM 0 HG22 THR A 122 12.594 -9.270 -10.306 1.00 72.45 H new ATOM 0 HG23 THR A 122 13.345 -10.883 -10.269 1.00 72.45 H new ATOM 1941 N GLY A 123 9.001 -10.260 -9.882 1.00 3.11 N ATOM 1942 CA GLY A 123 8.118 -9.237 -9.351 1.00 73.54 C ATOM 1943 C GLY A 123 8.834 -8.283 -8.416 1.00 33.23 C ATOM 1944 O GLY A 123 9.367 -8.694 -7.387 1.00 0.33 O ATOM 0 H GLY A 123 8.848 -11.195 -9.505 1.00 3.11 H new ATOM 0 HA2 GLY A 123 7.682 -8.674 -10.176 1.00 73.54 H new ATOM 0 HA3 GLY A 123 7.294 -9.713 -8.819 1.00 73.54 H new ATOM 1948 N ASN A 124 8.849 -7.003 -8.777 1.00 12.22 N ATOM 1949 CA ASN A 124 9.506 -5.987 -7.963 1.00 72.34 C ATOM 1950 C ASN A 124 8.675 -4.710 -7.910 1.00 3.13 C ATOM 1951 O ASN A 124 8.468 -4.049 -8.926 1.00 22.34 O ATOM 1952 CB ASN A 124 10.898 -5.679 -8.521 1.00 70.33 C ATOM 1953 CG ASN A 124 11.984 -6.497 -7.848 1.00 64.33 C ATOM 1954 OD1 ASN A 124 11.702 -7.364 -7.021 1.00 10.31 O ATOM 1955 ND2 ASN A 124 13.234 -6.223 -8.202 1.00 43.42 N ATOM 0 H ASN A 124 8.414 -6.646 -9.627 1.00 12.22 H new ATOM 0 HA ASN A 124 9.605 -6.377 -6.950 1.00 72.34 H new ATOM 0 HB2 ASN A 124 10.909 -5.877 -9.593 1.00 70.33 H new ATOM 0 HB3 ASN A 124 11.112 -4.618 -8.391 1.00 70.33 H new ATOM 0 HD21 ASN A 124 14.007 -6.740 -7.784 1.00 43.42 H new ATOM 0 HD22 ASN A 124 13.421 -5.495 -8.892 1.00 43.42 H new ATOM 1962 N ASN A 125 8.200 -4.369 -6.716 1.00 5.34 N ATOM 1963 CA ASN A 125 7.390 -3.171 -6.529 1.00 12.14 C ATOM 1964 C ASN A 125 8.201 -2.065 -5.860 1.00 41.31 C ATOM 1965 O ASN A 125 9.078 -2.334 -5.039 1.00 11.13 O ATOM 1966 CB ASN A 125 6.153 -3.491 -5.689 1.00 42.40 C ATOM 1967 CG ASN A 125 4.942 -3.812 -6.542 1.00 24.24 C ATOM 1968 OD1 ASN A 125 5.067 -4.361 -7.637 1.00 23.12 O ATOM 1969 ND2 ASN A 125 3.759 -3.469 -6.044 1.00 62.22 N ATOM 0 H ASN A 125 8.362 -4.906 -5.864 1.00 5.34 H new ATOM 0 HA ASN A 125 7.072 -2.821 -7.511 1.00 12.14 H new ATOM 0 HB2 ASN A 125 6.369 -4.337 -5.037 1.00 42.40 H new ATOM 0 HB3 ASN A 125 5.925 -2.642 -5.045 1.00 42.40 H new ATOM 0 HD21 ASN A 125 2.908 -3.659 -6.574 1.00 62.22 H new ATOM 0 HD22 ASN A 125 3.702 -3.016 -5.132 1.00 62.22 H new ATOM 1976 N SER A 126 7.900 -0.819 -6.215 1.00 71.51 N ATOM 1977 CA SER A 126 8.603 0.328 -5.651 1.00 65.52 C ATOM 1978 C SER A 126 7.789 1.605 -5.832 1.00 34.44 C ATOM 1979 O SER A 126 8.054 2.399 -6.735 1.00 22.12 O ATOM 1980 CB SER A 126 9.975 0.485 -6.309 1.00 15.14 C ATOM 1981 OG SER A 126 10.700 1.554 -5.725 1.00 32.53 O ATOM 0 H SER A 126 7.174 -0.578 -6.890 1.00 71.51 H new ATOM 0 HA SER A 126 8.738 0.153 -4.584 1.00 65.52 H new ATOM 0 HB2 SER A 126 10.540 -0.441 -6.205 1.00 15.14 H new ATOM 0 HB3 SER A 126 9.851 0.665 -7.377 1.00 15.14 H new ATOM 0 HG SER A 126 11.574 1.633 -6.161 1.00 32.53 H new ATOM 1987 N GLN A 127 6.798 1.796 -4.967 1.00 33.41 N ATOM 1988 CA GLN A 127 5.945 2.977 -5.031 1.00 71.43 C ATOM 1989 C GLN A 127 5.960 3.732 -3.706 1.00 23.41 C ATOM 1990 O GLN A 127 5.957 4.962 -3.681 1.00 20.03 O ATOM 1991 CB GLN A 127 4.513 2.578 -5.389 1.00 11.43 C ATOM 1992 CG GLN A 127 3.740 3.670 -6.110 1.00 21.44 C ATOM 1993 CD GLN A 127 2.621 4.250 -5.266 1.00 61.44 C ATOM 1994 OE1 GLN A 127 2.671 4.206 -4.037 1.00 62.03 O ATOM 1995 NE2 GLN A 127 1.605 4.796 -5.923 1.00 63.03 N ATOM 0 H GLN A 127 6.566 1.148 -4.214 1.00 33.41 H new ATOM 0 HA GLN A 127 6.336 3.635 -5.807 1.00 71.43 H new ATOM 0 HB2 GLN A 127 4.539 1.687 -6.017 1.00 11.43 H new ATOM 0 HB3 GLN A 127 3.981 2.309 -4.477 1.00 11.43 H new ATOM 0 HG2 GLN A 127 4.426 4.468 -6.394 1.00 21.44 H new ATOM 0 HG3 GLN A 127 3.322 3.265 -7.032 1.00 21.44 H new ATOM 0 HE21 GLN A 127 1.606 4.810 -6.943 1.00 63.03 H new ATOM 0 HE22 GLN A 127 0.823 5.201 -5.408 1.00 63.03 H new ATOM 2004 N VAL A 128 5.976 2.986 -2.606 1.00 4.24 N ATOM 2005 CA VAL A 128 5.991 3.584 -1.277 1.00 31.12 C ATOM 2006 C VAL A 128 7.193 4.507 -1.103 1.00 61.44 C ATOM 2007 O VAL A 128 8.270 4.246 -1.638 1.00 72.44 O ATOM 2008 CB VAL A 128 6.021 2.508 -0.177 1.00 41.33 C ATOM 2009 CG1 VAL A 128 5.981 3.150 1.201 1.00 44.31 C ATOM 2010 CG2 VAL A 128 4.866 1.533 -0.353 1.00 12.15 C ATOM 0 H VAL A 128 5.979 1.966 -2.609 1.00 4.24 H new ATOM 0 HA VAL A 128 5.073 4.165 -1.181 1.00 31.12 H new ATOM 0 HB VAL A 128 6.954 1.951 -0.265 1.00 41.33 H new ATOM 0 HG11 VAL A 128 6.003 2.373 1.965 1.00 44.31 H new ATOM 0 HG12 VAL A 128 6.845 3.804 1.323 1.00 44.31 H new ATOM 0 HG13 VAL A 128 5.067 3.734 1.304 1.00 44.31 H new ATOM 0 HG21 VAL A 128 4.903 0.779 0.433 1.00 12.15 H new ATOM 0 HG22 VAL A 128 3.921 2.073 -0.293 1.00 12.15 H new ATOM 0 HG23 VAL A 128 4.945 1.047 -1.325 1.00 12.15 H new ATOM 2020 N SER A 129 7.000 5.585 -0.351 1.00 34.13 N ATOM 2021 CA SER A 129 8.068 6.549 -0.110 1.00 71.11 C ATOM 2022 C SER A 129 9.147 5.950 0.787 1.00 52.43 C ATOM 2023 O SER A 129 9.063 4.789 1.187 1.00 24.13 O ATOM 2024 CB SER A 129 7.503 7.818 0.531 1.00 53.02 C ATOM 2025 OG SER A 129 7.413 8.869 -0.414 1.00 35.04 O ATOM 0 H SER A 129 6.115 5.813 0.102 1.00 34.13 H new ATOM 0 HA SER A 129 8.517 6.804 -1.070 1.00 71.11 H new ATOM 0 HB2 SER A 129 6.516 7.612 0.945 1.00 53.02 H new ATOM 0 HB3 SER A 129 8.140 8.124 1.361 1.00 53.02 H new ATOM 0 HG SER A 129 7.048 9.668 0.020 1.00 35.04 H new ATOM 2031 N GLN A 130 10.161 6.750 1.097 1.00 14.43 N ATOM 2032 CA GLN A 130 11.259 6.300 1.945 1.00 1.23 C ATOM 2033 C GLN A 130 11.436 7.227 3.143 1.00 52.33 C ATOM 2034 O GLN A 130 10.729 8.224 3.279 1.00 65.11 O ATOM 2035 CB GLN A 130 12.558 6.231 1.141 1.00 42.11 C ATOM 2036 CG GLN A 130 13.010 7.577 0.598 1.00 10.13 C ATOM 2037 CD GLN A 130 13.476 7.498 -0.842 1.00 11.43 C ATOM 2038 OE1 GLN A 130 12.985 6.682 -1.622 1.00 21.24 O ATOM 2039 NE2 GLN A 130 14.430 8.350 -1.204 1.00 44.45 N ATOM 0 H GLN A 130 10.246 7.714 0.774 1.00 14.43 H new ATOM 0 HA GLN A 130 11.016 5.303 2.313 1.00 1.23 H new ATOM 0 HB2 GLN A 130 13.345 5.821 1.773 1.00 42.11 H new ATOM 0 HB3 GLN A 130 12.424 5.539 0.309 1.00 42.11 H new ATOM 0 HG2 GLN A 130 12.188 8.289 0.671 1.00 10.13 H new ATOM 0 HG3 GLN A 130 13.820 7.961 1.218 1.00 10.13 H new ATOM 0 HE21 GLN A 130 14.809 9.010 -0.525 1.00 44.45 H new ATOM 0 HE22 GLN A 130 14.783 8.344 -2.161 1.00 44.45 H new ATOM 2048 N ASN A 131 12.387 6.890 4.010 1.00 1.13 N ATOM 2049 CA ASN A 131 12.656 7.693 5.197 1.00 50.14 C ATOM 2050 C ASN A 131 14.147 7.694 5.525 1.00 43.12 C ATOM 2051 O ASN A 131 14.759 6.638 5.684 1.00 21.23 O ATOM 2052 CB ASN A 131 11.860 7.159 6.390 1.00 52.35 C ATOM 2053 CG ASN A 131 11.628 8.218 7.451 1.00 32.23 C ATOM 2054 OD1 ASN A 131 11.491 9.403 7.141 1.00 41.32 O ATOM 2055 ND2 ASN A 131 11.582 7.797 8.709 1.00 63.33 N ATOM 0 H ASN A 131 12.983 6.068 3.912 1.00 1.13 H new ATOM 0 HA ASN A 131 12.346 8.718 4.991 1.00 50.14 H new ATOM 0 HB2 ASN A 131 10.899 6.781 6.042 1.00 52.35 H new ATOM 0 HB3 ASN A 131 12.393 6.317 6.831 1.00 52.35 H new ATOM 0 HD21 ASN A 131 11.428 8.464 9.465 1.00 63.33 H new ATOM 0 HD22 ASN A 131 11.701 6.806 8.920 1.00 63.33 H new ATOM 2062 N TYR A 132 14.724 8.886 5.627 1.00 21.24 N ATOM 2063 CA TYR A 132 16.142 9.026 5.934 1.00 42.24 C ATOM 2064 C TYR A 132 16.366 9.110 7.440 1.00 54.12 C ATOM 2065 O TYR A 132 15.406 9.004 8.201 1.00 12.34 O ATOM 2066 CB TYR A 132 16.713 10.269 5.251 1.00 20.25 C ATOM 2067 CG TYR A 132 18.216 10.385 5.363 1.00 32.10 C ATOM 2068 CD1 TYR A 132 19.052 9.450 4.765 1.00 3.42 C ATOM 2069 CD2 TYR A 132 18.802 11.430 6.067 1.00 22.03 C ATOM 2070 CE1 TYR A 132 20.426 9.551 4.866 1.00 0.24 C ATOM 2071 CE2 TYR A 132 20.175 11.541 6.172 1.00 61.24 C ATOM 2072 CZ TYR A 132 20.982 10.599 5.570 1.00 60.43 C ATOM 2073 OH TYR A 132 22.351 10.704 5.671 1.00 3.13 O ATOM 0 H TYR A 132 14.231 9.770 5.501 1.00 21.24 H new ATOM 0 HA TYR A 132 16.659 8.144 5.557 1.00 42.24 H new ATOM 0 HB2 TYR A 132 16.436 10.254 4.197 1.00 20.25 H new ATOM 0 HB3 TYR A 132 16.255 11.156 5.688 1.00 20.25 H new ATOM 0 HD1 TYR A 132 18.620 8.630 4.211 1.00 3.42 H new ATOM 0 HD2 TYR A 132 18.173 12.169 6.541 1.00 22.03 H new ATOM 0 HE1 TYR A 132 21.061 8.814 4.397 1.00 0.24 H new ATOM 0 HE2 TYR A 132 20.613 12.360 6.722 1.00 61.24 H new ATOM 0 HH TYR A 132 22.580 11.498 6.198 1.00 3.13 H new TER 2083 TYR A 132 HETATM 2084 C1 PIO A 300 34.384 -6.411 11.354 1.00 21.34 C HETATM 2085 C2 PIO A 300 34.754 -6.877 12.803 1.00 12.41 C HETATM 2086 C3 PIO A 300 34.506 -8.393 12.966 1.00 42.02 C HETATM 2087 C4 PIO A 300 35.310 -9.224 11.892 1.00 1.52 C HETATM 2088 C5 PIO A 300 34.898 -8.723 10.451 1.00 42.30 C HETATM 2089 C6 PIO A 300 35.128 -7.202 10.263 1.00 52.34 C HETATM 2090 O1 PIO A 300 34.626 -4.925 11.059 1.00 35.13 O HETATM 2091 O2 PIO A 300 36.103 -6.586 13.156 1.00 55.21 O HETATM 2092 O3 PIO A 300 34.869 -8.755 14.307 1.00 73.21 O HETATM 2093 O4 PIO A 300 34.998 -10.701 12.059 1.00 50.14 O HETATM 2094 O5 PIO A 300 35.690 -9.452 9.459 1.00 73.02 O HETATM 2095 O6 PIO A 300 34.647 -6.731 8.996 1.00 23.15 O HETATM 2096 P1 PIO A 300 33.909 -3.530 11.635 1.00 40.22 P HETATM 2097 O11 PIO A 300 32.610 -4.045 12.258 1.00 45.30 O HETATM 2098 O12 PIO A 300 34.936 -2.945 12.569 1.00 60.35 O HETATM 2099 O13 PIO A 300 33.697 -2.624 10.458 1.00 23.23 O HETATM 2100 P4 PIO A 300 33.677 -11.474 12.717 1.00 5.05 P HETATM 2101 O41 PIO A 300 33.762 -12.784 11.937 1.00 2.53 O HETATM 2102 O42 PIO A 300 33.974 -11.601 14.187 1.00 11.44 O HETATM 2103 O43 PIO A 300 32.423 -10.649 12.478 1.00 10.30 O HETATM 2104 P5 PIO A 300 37.308 -9.670 9.235 1.00 74.13 P HETATM 2105 O53 PIO A 300 37.559 -11.036 9.833 1.00 12.02 O HETATM 2106 O52 PIO A 300 37.928 -8.513 10.002 1.00 70.41 O HETATM 2107 O51 PIO A 300 37.383 -9.630 7.722 1.00 71.21 O HETATM 2108 C1C PIO A 300 33.212 -3.173 9.250 1.00 32.11 C HETATM 2109 C2C PIO A 300 31.695 -3.473 9.330 1.00 72.35 C HETATM 2110 C3C PIO A 300 30.872 -2.211 9.682 1.00 32.44 C HETATM 2111 O2C PIO A 300 31.267 -3.968 8.071 1.00 23.15 O HETATM 2112 O3C PIO A 300 31.523 -1.070 9.159 1.00 60.41 O HETATM 2113 C1A PIO A 300 30.213 -4.914 8.066 1.00 1.32 C HETATM 2114 O1A PIO A 300 29.135 -4.631 7.592 1.00 4.15 O HETATM 2115 C2A PIO A 300 30.446 -6.319 8.651 1.00 32.05 C HETATM 2116 C3A PIO A 300 29.800 -7.385 7.747 1.00 72.53 C HETATM 2117 C4A PIO A 300 29.197 -8.500 8.620 1.00 24.33 C HETATM 2118 C5A PIO A 300 29.849 -9.847 8.259 1.00 63.35 C HETATM 2119 C6A PIO A 300 31.195 -9.980 8.993 1.00 45.52 C HETATM 2120 C7A PIO A 300 31.583 -11.467 9.092 1.00 44.42 C HETATM 2121 C8A PIO A 300 30.712 -12.156 10.160 1.00 3.35 C HETATM 2122 C1B PIO A 300 31.238 0.230 9.621 1.00 23.42 C HETATM 2123 O1B PIO A 300 30.213 0.839 9.376 1.00 5.31 O HETATM 2124 C2B PIO A 300 32.366 0.907 10.448 1.00 71.12 C HETATM 2125 C3B PIO A 300 31.862 2.036 11.361 1.00 20.23 C HETATM 2126 C4B PIO A 300 32.946 3.109 11.569 1.00 41.02 C HETATM 2127 C5B PIO A 300 34.109 2.506 12.380 1.00 73.04 C HETATM 2128 C6B PIO A 300 35.419 2.653 11.584 1.00 32.31 C HETATM 2129 C7B PIO A 300 35.929 4.102 11.696 1.00 2.12 C HETATM 2130 C8B PIO A 300 37.132 4.296 10.754 1.00 3.24 C HETATM 0 H8BB PIO A 300 37.929 3.607 11.035 1.00 3.24 H new HETATM 0 H8BA PIO A 300 36.826 4.097 9.727 1.00 3.24 H new HETATM 0 H8AB PIO A 300 30.871 -11.675 11.125 1.00 3.35 H new HETATM 0 H8AA PIO A 300 29.661 -12.073 9.882 1.00 3.35 H new HETATM 0 H7BA PIO A 300 35.133 4.800 11.436 1.00 2.12 H new HETATM 0 H7AA PIO A 300 31.447 -11.954 8.127 1.00 44.42 H new HETATM 0 H6BA PIO A 300 36.169 1.962 11.967 1.00 32.31 H new HETATM 0 H6AA PIO A 300 31.968 -9.427 8.460 1.00 45.52 H new HETATM 0 H5BA PIO A 300 34.196 3.011 13.342 1.00 73.04 H new HETATM 0 H5AA PIO A 300 29.189 -10.669 8.537 1.00 63.35 H new HETATM 0 H4BA PIO A 300 33.307 3.469 10.606 1.00 41.02 H new HETATM 0 H4AA PIO A 300 29.358 -8.277 9.675 1.00 24.33 H new HETATM 0 H3CA PIO A 300 29.866 -2.292 9.270 1.00 32.44 H new HETATM 0 H3BA PIO A 300 30.974 2.492 10.923 1.00 20.23 H new HETATM 0 H3AA PIO A 300 29.024 -6.932 7.130 1.00 72.53 H new HETATM 0 H2BA PIO A 300 32.862 0.152 11.057 1.00 71.12 H new HETATM 0 H2AA PIO A 300 31.515 -6.510 8.744 1.00 32.05 H new HETATM 0 H1CA PIO A 300 33.404 -2.479 8.431 1.00 32.11 H new HETATM 0 HO6 PIO A 300 35.101 -7.213 8.274 1.00 23.15 H new HETATM 0 HO3 PIO A 300 34.598 -9.681 14.481 1.00 73.21 H new HETATM 0 HO2 PIO A 300 36.395 -7.197 13.864 1.00 55.21 H new HETATM 0 H8B PIO A 300 37.494 5.321 10.832 1.00 3.24 H new HETATM 0 H8A PIO A 300 30.987 -13.208 10.230 1.00 3.35 H new HETATM 0 H7B PIO A 300 36.220 4.318 12.724 1.00 2.12 H new HETATM 0 H7A PIO A 300 32.638 -11.562 9.351 1.00 44.42 H new HETATM 0 H6B PIO A 300 35.252 2.395 10.538 1.00 32.31 H new HETATM 0 H6A PIO A 300 31.122 -9.545 9.990 1.00 45.52 H new HETATM 0 H6 PIO A 300 36.205 -7.047 10.322 1.00 52.34 H new HETATM 0 H5B PIO A 300 33.914 1.454 12.589 1.00 73.04 H new HETATM 0 H5A PIO A 300 30.002 -9.912 7.182 1.00 63.35 H new HETATM 0 H5 PIO A 300 33.832 -8.910 10.324 1.00 42.30 H new HETATM 0 H4B PIO A 300 32.528 3.968 12.094 1.00 41.02 H new HETATM 0 H4A PIO A 300 28.119 -8.553 8.467 1.00 24.33 H new HETATM 0 H4 PIO A 300 36.382 -9.082 12.025 1.00 1.52 H new HETATM 0 H3C PIO A 300 30.767 -2.121 10.763 1.00 32.44 H new HETATM 0 H3B PIO A 300 31.566 1.623 12.325 1.00 20.23 H new HETATM 0 H3A PIO A 300 30.544 -7.802 7.069 1.00 72.53 H new HETATM 0 H3 PIO A 300 33.454 -8.624 12.797 1.00 42.02 H new HETATM 0 H2C PIO A 300 31.533 -4.206 10.120 1.00 72.35 H new HETATM 0 H2B PIO A 300 33.115 1.309 9.766 1.00 71.12 H new HETATM 0 H2A PIO A 300 30.024 -6.378 9.654 1.00 32.05 H new HETATM 0 H2 PIO A 300 34.107 -6.313 13.475 1.00 12.41 H new HETATM 0 H1C PIO A 300 33.754 -4.091 9.023 1.00 32.11 H new HETATM 0 H1 PIO A 300 33.311 -6.603 11.325 1.00 21.34 H new