USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1110 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0.137 K(o=0.14,f=-2.1) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc=-0.00614 X(o=-0.0061,f=-0.076) USER MOD Single : A -2 SER OG : rot 180:sc=-0.00436 USER MOD Single : A -3 GLY N :NH3+ -105:sc= 0.0833 (180deg=0) USER MOD Single : A 13 TYR OH : rot -26:sc= 0.179 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0211 (180deg=-0.244) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -106:sc= 0.459 (180deg=-0.177!) USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 SER OG : rot -85:sc= 1.23 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 59 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.83) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00454) USER MOD Single : A 69 HIS : no HE2:sc= 0.525 K(o=0.53,f=-2.2!) USER MOD Single : A 81 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 82 ASN : amide:sc= 1.14 K(o=1.1,f=-0.024) USER MOD Single : A 83 THR OG1 : rot 74:sc= 0.147 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 91 MET CE :methyl -164:sc= -0.179 (180deg=-0.567) USER MOD Single : A 93 GLN : amide:sc=-0.00312 X(o=-0.0031,f=-0.039) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= 0.224 K(o=0.22,f=-1.5) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -135:sc= 1.09 USER MOD Single : A 113 SER OG : rot 37:sc= 0.173 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 724 MET CE :methyl -149:sc= 0 (180deg=-0.294) USER MOD Single : B 726 SER OG : rot 180:sc= 0 USER MOD Single : B 728 SER OG : rot 180:sc= 0.0651 USER MOD Single : B 729 SER OG : rot 140:sc= 0.0424 USER MOD Single : B 732 TYR OH : rot 31:sc= 1.24 USER MOD Single : B 739 SER OG : rot 180:sc=7.02e-05 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -9.283 10.056 -18.177 1.00 0.00 N ATOM 2 CA GLY A -3 -7.925 10.601 -18.056 1.00 0.00 C ATOM 3 C GLY A -3 -7.780 11.392 -16.771 1.00 0.00 C ATOM 4 O GLY A -3 -8.775 11.803 -16.184 1.00 0.00 O ATOM 0 H1 GLY A -3 -9.267 9.036 -17.975 1.00 0.00 H new ATOM 0 H2 GLY A -3 -9.910 10.533 -17.499 1.00 0.00 H new ATOM 0 H3 GLY A -3 -9.635 10.212 -19.143 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -7.198 9.789 -18.073 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -7.707 11.242 -18.910 1.00 0.00 H new ATOM 8 N SER A -2 -6.536 11.578 -16.329 1.00 0.00 N ATOM 9 CA SER A -2 -6.147 12.309 -15.127 1.00 0.00 C ATOM 10 C SER A -2 -7.032 12.053 -13.883 1.00 0.00 C ATOM 11 O SER A -2 -7.665 12.982 -13.376 1.00 0.00 O ATOM 12 CB SER A -2 -5.909 13.793 -15.473 1.00 0.00 C ATOM 13 OG SER A -2 -6.838 14.307 -16.414 1.00 0.00 O ATOM 0 H SER A -2 -5.730 11.201 -16.829 1.00 0.00 H new ATOM 0 HA SER A -2 -5.196 11.898 -14.788 1.00 0.00 H new ATOM 0 HB2 SER A -2 -5.963 14.385 -14.559 1.00 0.00 H new ATOM 0 HB3 SER A -2 -4.900 13.909 -15.869 1.00 0.00 H new ATOM 0 HG SER A -2 -6.637 15.250 -16.591 1.00 0.00 H new ATOM 19 N PRO A -1 -7.053 10.817 -13.334 1.00 0.00 N ATOM 20 CA PRO A -1 -7.834 10.495 -12.134 1.00 0.00 C ATOM 21 C PRO A -1 -7.213 11.139 -10.875 1.00 0.00 C ATOM 22 O PRO A -1 -7.819 11.117 -9.807 1.00 0.00 O ATOM 23 CB PRO A -1 -7.845 8.966 -12.046 1.00 0.00 C ATOM 24 CG PRO A -1 -6.531 8.571 -12.716 1.00 0.00 C ATOM 25 CD PRO A -1 -6.370 9.623 -13.813 1.00 0.00 C ATOM 0 HA PRO A -1 -8.848 10.891 -12.194 1.00 0.00 H new ATOM 0 HB2 PRO A -1 -7.890 8.622 -11.013 1.00 0.00 H new ATOM 0 HB3 PRO A -1 -8.705 8.539 -12.562 1.00 0.00 H new ATOM 0 HG2 PRO A -1 -5.698 8.591 -12.013 1.00 0.00 H new ATOM 0 HG3 PRO A -1 -6.576 7.563 -13.128 1.00 0.00 H new ATOM 0 HD2 PRO A -1 -5.317 9.828 -14.005 1.00 0.00 H new ATOM 0 HD3 PRO A -1 -6.803 9.277 -14.751 1.00 0.00 H new ATOM 33 N GLU A 0 -5.992 11.670 -11.000 1.00 0.00 N ATOM 34 CA GLU A 0 -5.148 12.375 -10.040 1.00 0.00 C ATOM 35 C GLU A 0 -5.474 12.130 -8.566 1.00 0.00 C ATOM 36 O GLU A 0 -6.050 12.983 -7.891 1.00 0.00 O ATOM 37 CB GLU A 0 -5.205 13.870 -10.383 1.00 0.00 C ATOM 38 CG GLU A 0 -4.561 14.120 -11.746 1.00 0.00 C ATOM 39 CD GLU A 0 -4.534 15.604 -12.054 1.00 0.00 C ATOM 40 OE1 GLU A 0 -5.581 16.150 -12.461 1.00 0.00 O ATOM 41 OE2 GLU A 0 -3.449 16.206 -11.880 1.00 0.00 O ATOM 0 H GLU A 0 -5.514 11.604 -11.898 1.00 0.00 H new ATOM 0 HA GLU A 0 -4.140 11.972 -10.141 1.00 0.00 H new ATOM 0 HB2 GLU A 0 -6.241 14.210 -10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 0 -4.688 14.447 -9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 0 -3.546 13.722 -11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 0 -5.117 13.592 -12.520 1.00 0.00 H new ATOM 48 N PHE A 1 -5.034 10.985 -8.047 1.00 0.00 N ATOM 49 CA PHE A 1 -5.270 10.607 -6.660 1.00 0.00 C ATOM 50 C PHE A 1 -4.450 11.412 -5.644 1.00 0.00 C ATOM 51 O PHE A 1 -4.850 11.458 -4.485 1.00 0.00 O ATOM 52 CB PHE A 1 -4.967 9.113 -6.496 1.00 0.00 C ATOM 53 CG PHE A 1 -5.819 8.209 -7.366 1.00 0.00 C ATOM 54 CD1 PHE A 1 -7.208 8.140 -7.148 1.00 0.00 C ATOM 55 CD2 PHE A 1 -5.234 7.431 -8.384 1.00 0.00 C ATOM 56 CE1 PHE A 1 -8.006 7.284 -7.921 1.00 0.00 C ATOM 57 CE2 PHE A 1 -6.038 6.584 -9.169 1.00 0.00 C ATOM 58 CZ PHE A 1 -7.422 6.507 -8.934 1.00 0.00 C ATOM 0 H PHE A 1 -4.504 10.295 -8.579 1.00 0.00 H new ATOM 0 HA PHE A 1 -6.315 10.829 -6.446 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.917 8.939 -6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -5.112 8.836 -5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -7.662 8.750 -6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -4.170 7.484 -8.562 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -9.068 7.223 -7.737 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -5.591 5.992 -9.954 1.00 0.00 H new ATOM 0 HZ PHE A 1 -8.036 5.850 -9.533 1.00 0.00 H new ATOM 68 N LYS A 2 -3.351 12.075 -6.054 1.00 0.00 N ATOM 69 CA LYS A 2 -2.458 12.867 -5.184 1.00 0.00 C ATOM 70 C LYS A 2 -1.961 12.019 -3.991 1.00 0.00 C ATOM 71 O LYS A 2 -2.140 10.795 -3.962 1.00 0.00 O ATOM 72 CB LYS A 2 -3.169 14.164 -4.724 1.00 0.00 C ATOM 73 CG LYS A 2 -3.492 15.199 -5.817 1.00 0.00 C ATOM 74 CD LYS A 2 -2.360 16.201 -6.101 1.00 0.00 C ATOM 75 CE LYS A 2 -2.265 17.240 -4.969 1.00 0.00 C ATOM 76 NZ LYS A 2 -1.225 18.261 -5.205 1.00 0.00 N ATOM 0 H LYS A 2 -3.051 12.074 -7.029 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.577 13.161 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.101 13.885 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.544 14.646 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.733 14.671 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.384 15.752 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.412 15.671 -6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.541 16.704 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.230 17.733 -4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.056 16.727 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.210 18.931 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.297 17.799 -5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.435 18.773 -6.085 1.00 0.00 H new ATOM 90 N PHE A 3 -1.211 12.629 -3.067 1.00 0.00 N ATOM 91 CA PHE A 3 -0.720 11.936 -1.876 1.00 0.00 C ATOM 92 C PHE A 3 -1.934 11.592 -0.994 1.00 0.00 C ATOM 93 O PHE A 3 -3.057 12.028 -1.274 1.00 0.00 O ATOM 94 CB PHE A 3 0.363 12.760 -1.161 1.00 0.00 C ATOM 95 CG PHE A 3 1.748 12.587 -1.766 1.00 0.00 C ATOM 96 CD1 PHE A 3 2.129 13.290 -2.924 1.00 0.00 C ATOM 97 CD2 PHE A 3 2.668 11.711 -1.162 1.00 0.00 C ATOM 98 CE1 PHE A 3 3.418 13.111 -3.463 1.00 0.00 C ATOM 99 CE2 PHE A 3 3.959 11.543 -1.689 1.00 0.00 C ATOM 100 CZ PHE A 3 4.335 12.246 -2.842 1.00 0.00 C ATOM 0 H PHE A 3 -0.930 13.608 -3.124 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.222 11.003 -2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.089 13.814 -1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 3 0.394 12.472 -0.110 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.434 13.966 -3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 3 2.377 11.160 -0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.703 13.642 -4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.659 10.875 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.327 12.123 -3.252 1.00 0.00 H new ATOM 110 N GLN A 4 -1.738 10.844 0.102 1.00 0.00 N ATOM 111 CA GLN A 4 -2.860 10.449 0.960 1.00 0.00 C ATOM 112 C GLN A 4 -3.701 11.610 1.459 1.00 0.00 C ATOM 113 O GLN A 4 -4.899 11.419 1.599 1.00 0.00 O ATOM 114 CB GLN A 4 -2.418 9.557 2.132 1.00 0.00 C ATOM 115 CG GLN A 4 -1.953 8.168 1.682 1.00 0.00 C ATOM 116 CD GLN A 4 -2.941 7.534 0.705 1.00 0.00 C ATOM 117 OE1 GLN A 4 -2.801 7.725 -0.508 1.00 0.00 O ATOM 118 NE2 GLN A 4 -3.949 6.839 1.196 1.00 0.00 N ATOM 0 H GLN A 4 -0.826 10.506 0.410 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.504 9.862 0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.608 10.049 2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -3.247 9.448 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.974 8.247 1.210 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.837 7.523 2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.031 6.702 2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.646 6.438 0.568 1.00 0.00 H new ATOM 127 N TYR A 5 -3.148 12.817 1.579 1.00 0.00 N ATOM 128 CA TYR A 5 -3.874 14.002 2.020 1.00 0.00 C ATOM 129 C TYR A 5 -5.186 14.217 1.235 1.00 0.00 C ATOM 130 O TYR A 5 -6.109 14.852 1.743 1.00 0.00 O ATOM 131 CB TYR A 5 -2.930 15.206 1.898 1.00 0.00 C ATOM 132 CG TYR A 5 -1.630 15.068 2.675 1.00 0.00 C ATOM 133 CD1 TYR A 5 -1.663 14.890 4.071 1.00 0.00 C ATOM 134 CD2 TYR A 5 -0.387 15.113 2.012 1.00 0.00 C ATOM 135 CE1 TYR A 5 -0.471 14.752 4.803 1.00 0.00 C ATOM 136 CE2 TYR A 5 0.810 14.982 2.740 1.00 0.00 C ATOM 137 CZ TYR A 5 0.773 14.789 4.140 1.00 0.00 C ATOM 138 OH TYR A 5 1.927 14.693 4.856 1.00 0.00 O ATOM 0 H TYR A 5 -2.167 12.999 1.368 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.181 13.873 3.058 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.695 15.362 0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.452 16.098 2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.613 14.859 4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.353 15.249 0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.508 14.618 5.874 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.760 15.029 2.228 1.00 0.00 H new ATOM 0 HH TYR A 5 2.694 14.734 4.247 1.00 0.00 H new ATOM 148 N LYS A 6 -5.273 13.748 -0.019 1.00 0.00 N ATOM 149 CA LYS A 6 -6.464 13.868 -0.855 1.00 0.00 C ATOM 150 C LYS A 6 -7.491 12.787 -0.497 1.00 0.00 C ATOM 151 O LYS A 6 -8.661 13.111 -0.306 1.00 0.00 O ATOM 152 CB LYS A 6 -6.031 13.787 -2.327 1.00 0.00 C ATOM 153 CG LYS A 6 -7.165 13.814 -3.369 1.00 0.00 C ATOM 154 CD LYS A 6 -8.114 15.015 -3.249 1.00 0.00 C ATOM 155 CE LYS A 6 -7.416 16.373 -3.414 1.00 0.00 C ATOM 156 NZ LYS A 6 -7.232 16.757 -4.827 1.00 0.00 N ATOM 0 H LYS A 6 -4.502 13.268 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.952 14.827 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.356 14.618 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.459 12.870 -2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.725 13.814 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.747 12.897 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.897 14.925 -4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.603 14.984 -2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.001 17.140 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.444 16.338 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.757 17.681 -4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.650 16.042 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.159 16.820 -5.293 1.00 0.00 H new ATOM 170 N GLU A 7 -7.079 11.518 -0.446 1.00 0.00 N ATOM 171 CA GLU A 7 -7.946 10.378 -0.122 1.00 0.00 C ATOM 172 C GLU A 7 -8.427 10.423 1.328 1.00 0.00 C ATOM 173 O GLU A 7 -9.527 9.988 1.643 1.00 0.00 O ATOM 174 CB GLU A 7 -7.175 9.072 -0.368 1.00 0.00 C ATOM 175 CG GLU A 7 -8.055 7.839 -0.111 1.00 0.00 C ATOM 176 CD GLU A 7 -7.375 6.567 -0.595 1.00 0.00 C ATOM 177 OE1 GLU A 7 -6.345 6.167 0.000 1.00 0.00 O ATOM 178 OE2 GLU A 7 -7.801 6.041 -1.646 1.00 0.00 O ATOM 0 H GLU A 7 -6.114 11.247 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.825 10.428 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.810 9.052 -1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.300 9.037 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.269 7.757 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.012 7.959 -0.620 1.00 0.00 H new ATOM 185 N ASP A 8 -7.617 11.006 2.204 1.00 0.00 N ATOM 186 CA ASP A 8 -7.835 11.174 3.632 1.00 0.00 C ATOM 187 C ASP A 8 -9.103 11.985 3.945 1.00 0.00 C ATOM 188 O ASP A 8 -9.731 11.792 4.993 1.00 0.00 O ATOM 189 CB ASP A 8 -6.560 11.841 4.150 1.00 0.00 C ATOM 190 CG ASP A 8 -6.581 12.195 5.621 1.00 0.00 C ATOM 191 OD1 ASP A 8 -6.997 13.334 5.926 1.00 0.00 O ATOM 192 OD2 ASP A 8 -6.019 11.421 6.424 1.00 0.00 O ATOM 0 H ASP A 8 -6.724 11.403 1.910 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.014 10.219 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.717 11.176 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.383 12.750 3.575 1.00 0.00 H new ATOM 197 N HIS A 9 -9.505 12.877 3.032 1.00 0.00 N ATOM 198 CA HIS A 9 -10.690 13.716 3.185 1.00 0.00 C ATOM 199 C HIS A 9 -12.004 12.908 3.155 1.00 0.00 C ATOM 200 O HIS A 9 -12.698 12.908 4.173 1.00 0.00 O ATOM 201 CB HIS A 9 -10.703 14.830 2.125 1.00 0.00 C ATOM 202 CG HIS A 9 -10.401 16.207 2.644 1.00 0.00 C ATOM 203 ND1 HIS A 9 -10.998 16.838 3.713 1.00 0.00 N ATOM 204 CD2 HIS A 9 -9.558 17.101 2.052 1.00 0.00 C ATOM 205 CE1 HIS A 9 -10.501 18.085 3.772 1.00 0.00 C ATOM 206 NE2 HIS A 9 -9.632 18.305 2.765 1.00 0.00 N ATOM 0 H HIS A 9 -9.007 13.035 2.156 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.631 14.171 4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.976 14.583 1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.683 14.845 1.648 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.941 16.914 1.185 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -10.763 18.813 4.525 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.131 19.170 2.563 1.00 0.00 H new ATOM 214 N PRO A 10 -12.365 12.171 2.083 1.00 0.00 N ATOM 215 CA PRO A 10 -13.611 11.408 2.013 1.00 0.00 C ATOM 216 C PRO A 10 -13.597 10.140 2.890 1.00 0.00 C ATOM 217 O PRO A 10 -13.534 9.023 2.386 1.00 0.00 O ATOM 218 CB PRO A 10 -13.798 11.111 0.519 1.00 0.00 C ATOM 219 CG PRO A 10 -12.363 10.957 0.024 1.00 0.00 C ATOM 220 CD PRO A 10 -11.673 12.076 0.802 1.00 0.00 C ATOM 0 HA PRO A 10 -14.452 11.970 2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.382 10.205 0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.318 11.921 0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.949 9.976 0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.281 11.091 -1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.616 11.854 0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.729 13.019 0.259 1.00 0.00 H new ATOM 228 N PHE A 11 -13.733 10.297 4.207 1.00 0.00 N ATOM 229 CA PHE A 11 -13.752 9.221 5.195 1.00 0.00 C ATOM 230 C PHE A 11 -14.846 8.208 4.850 1.00 0.00 C ATOM 231 O PHE A 11 -14.622 7.001 4.892 1.00 0.00 O ATOM 232 CB PHE A 11 -13.936 9.833 6.594 1.00 0.00 C ATOM 233 CG PHE A 11 -13.348 9.043 7.751 1.00 0.00 C ATOM 234 CD1 PHE A 11 -13.802 7.744 8.057 1.00 0.00 C ATOM 235 CD2 PHE A 11 -12.353 9.632 8.557 1.00 0.00 C ATOM 236 CE1 PHE A 11 -13.288 7.064 9.175 1.00 0.00 C ATOM 237 CE2 PHE A 11 -11.819 8.932 9.653 1.00 0.00 C ATOM 238 CZ PHE A 11 -12.295 7.652 9.971 1.00 0.00 C ATOM 0 H PHE A 11 -13.837 11.219 4.632 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.807 8.678 5.186 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.489 10.827 6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.003 9.963 6.774 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.545 7.271 7.432 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.999 10.627 8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.661 6.081 9.423 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.040 9.381 10.251 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.899 7.122 10.825 1.00 0.00 H new ATOM 248 N GLU A 12 -16.030 8.700 4.465 1.00 0.00 N ATOM 249 CA GLU A 12 -17.151 7.845 4.095 1.00 0.00 C ATOM 250 C GLU A 12 -16.757 6.897 2.951 1.00 0.00 C ATOM 251 O GLU A 12 -17.160 5.734 2.953 1.00 0.00 O ATOM 252 CB GLU A 12 -18.407 8.695 3.801 1.00 0.00 C ATOM 253 CG GLU A 12 -18.264 9.711 2.652 1.00 0.00 C ATOM 254 CD GLU A 12 -19.506 10.598 2.496 1.00 0.00 C ATOM 255 OE1 GLU A 12 -20.471 10.198 1.798 1.00 0.00 O ATOM 256 OE2 GLU A 12 -19.519 11.730 3.031 1.00 0.00 O ATOM 0 H GLU A 12 -16.232 9.698 4.403 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.413 7.203 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.233 8.023 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.680 9.234 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.392 10.340 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.083 9.177 1.719 1.00 0.00 H new ATOM 263 N TYR A 13 -15.973 7.385 1.986 1.00 0.00 N ATOM 264 CA TYR A 13 -15.510 6.607 0.849 1.00 0.00 C ATOM 265 C TYR A 13 -14.425 5.627 1.279 1.00 0.00 C ATOM 266 O TYR A 13 -14.506 4.469 0.891 1.00 0.00 O ATOM 267 CB TYR A 13 -14.979 7.540 -0.240 1.00 0.00 C ATOM 268 CG TYR A 13 -14.546 6.852 -1.517 1.00 0.00 C ATOM 269 CD1 TYR A 13 -15.471 6.637 -2.557 1.00 0.00 C ATOM 270 CD2 TYR A 13 -13.209 6.436 -1.667 1.00 0.00 C ATOM 271 CE1 TYR A 13 -15.063 6.021 -3.752 1.00 0.00 C ATOM 272 CE2 TYR A 13 -12.795 5.820 -2.858 1.00 0.00 C ATOM 273 CZ TYR A 13 -13.719 5.615 -3.906 1.00 0.00 C ATOM 274 OH TYR A 13 -13.314 5.031 -5.063 1.00 0.00 O ATOM 0 H TYR A 13 -15.640 8.349 1.979 1.00 0.00 H new ATOM 0 HA TYR A 13 -16.349 6.038 0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.753 8.269 -0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.131 8.096 0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -16.498 6.947 -2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -12.502 6.591 -0.865 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.774 5.859 -4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.769 5.503 -2.973 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.078 4.595 -5.494 1.00 0.00 H new ATOM 284 N ARG A 14 -13.438 6.049 2.090 1.00 0.00 N ATOM 285 CA ARG A 14 -12.351 5.160 2.530 1.00 0.00 C ATOM 286 C ARG A 14 -12.941 3.913 3.193 1.00 0.00 C ATOM 287 O ARG A 14 -12.592 2.787 2.829 1.00 0.00 O ATOM 288 CB ARG A 14 -11.436 5.902 3.540 1.00 0.00 C ATOM 289 CG ARG A 14 -10.719 7.151 2.984 1.00 0.00 C ATOM 290 CD ARG A 14 -10.214 8.090 4.097 1.00 0.00 C ATOM 291 NE ARG A 14 -8.886 7.733 4.613 1.00 0.00 N ATOM 292 CZ ARG A 14 -8.454 8.042 5.841 1.00 0.00 C ATOM 293 NH1 ARG A 14 -9.001 9.040 6.538 1.00 0.00 N ATOM 294 NH2 ARG A 14 -7.469 7.332 6.363 1.00 0.00 N ATOM 0 H ARG A 14 -13.372 7.000 2.453 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.761 4.864 1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.037 6.200 4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.683 5.203 3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.876 6.837 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.402 7.698 2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -10.183 9.110 3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.928 8.081 4.920 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.255 7.219 3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.764 9.584 6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.656 9.258 7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.055 6.567 5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.123 7.549 7.298 1.00 0.00 H new ATOM 308 N LYS A 15 -13.961 4.100 4.028 1.00 0.00 N ATOM 309 CA LYS A 15 -14.636 3.024 4.737 1.00 0.00 C ATOM 310 C LYS A 15 -15.403 2.136 3.779 1.00 0.00 C ATOM 311 O LYS A 15 -15.308 0.907 3.824 1.00 0.00 O ATOM 312 CB LYS A 15 -15.584 3.669 5.736 1.00 0.00 C ATOM 313 CG LYS A 15 -16.038 2.681 6.815 1.00 0.00 C ATOM 314 CD LYS A 15 -16.893 3.462 7.804 1.00 0.00 C ATOM 315 CE LYS A 15 -15.993 4.308 8.723 1.00 0.00 C ATOM 316 NZ LYS A 15 -16.764 5.307 9.485 1.00 0.00 N ATOM 0 H LYS A 15 -14.346 5.022 4.232 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.907 2.392 5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.091 4.519 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.456 4.058 5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.608 1.864 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.179 2.236 7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.588 4.108 7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.493 2.775 8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.465 3.653 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.237 4.814 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.120 5.855 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.248 5.949 8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.469 4.823 10.077 1.00 0.00 H new ATOM 330 N LYS A 16 -16.231 2.754 2.935 1.00 0.00 N ATOM 331 CA LYS A 16 -17.015 2.013 1.951 1.00 0.00 C ATOM 332 C LYS A 16 -16.117 1.184 1.033 1.00 0.00 C ATOM 333 O LYS A 16 -16.413 0.008 0.833 1.00 0.00 O ATOM 334 CB LYS A 16 -17.919 2.958 1.161 1.00 0.00 C ATOM 335 CG LYS A 16 -19.125 3.429 1.986 1.00 0.00 C ATOM 336 CD LYS A 16 -19.874 4.530 1.233 1.00 0.00 C ATOM 337 CE LYS A 16 -21.074 5.026 2.040 1.00 0.00 C ATOM 338 NZ LYS A 16 -22.222 4.102 1.981 1.00 0.00 N ATOM 0 H LYS A 16 -16.374 3.764 2.915 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.656 1.311 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.342 3.824 0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.271 2.454 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.793 2.590 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.791 3.801 2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -19.199 5.361 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.211 4.151 0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -20.776 5.162 3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.380 6.003 1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.007 4.487 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -22.527 3.990 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.942 3.176 2.364 1.00 0.00 H new ATOM 352 N GLU A 17 -15.035 1.754 0.515 1.00 0.00 N ATOM 353 CA GLU A 17 -14.097 1.093 -0.378 1.00 0.00 C ATOM 354 C GLU A 17 -13.432 -0.085 0.331 1.00 0.00 C ATOM 355 O GLU A 17 -13.489 -1.201 -0.191 1.00 0.00 O ATOM 356 CB GLU A 17 -13.096 2.138 -0.896 1.00 0.00 C ATOM 357 CG GLU A 17 -12.008 1.559 -1.812 1.00 0.00 C ATOM 358 CD GLU A 17 -10.766 1.118 -1.038 1.00 0.00 C ATOM 359 OE1 GLU A 17 -10.065 2.026 -0.527 1.00 0.00 O ATOM 360 OE2 GLU A 17 -10.491 -0.095 -0.964 1.00 0.00 O ATOM 0 H GLU A 17 -14.780 2.722 0.713 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.611 0.670 -1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.641 2.910 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.619 2.623 -0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.413 0.707 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.724 2.307 -2.552 1.00 0.00 H new ATOM 367 N GLY A 18 -12.910 0.119 1.546 1.00 0.00 N ATOM 368 CA GLY A 18 -12.251 -0.946 2.289 1.00 0.00 C ATOM 369 C GLY A 18 -13.229 -2.091 2.519 1.00 0.00 C ATOM 370 O GLY A 18 -12.871 -3.257 2.351 1.00 0.00 O ATOM 0 H GLY A 18 -12.934 1.016 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.381 -1.303 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.889 -0.566 3.244 1.00 0.00 H new ATOM 374 N GLU A 19 -14.490 -1.788 2.849 1.00 0.00 N ATOM 375 CA GLU A 19 -15.510 -2.806 3.059 1.00 0.00 C ATOM 376 C GLU A 19 -15.757 -3.572 1.751 1.00 0.00 C ATOM 377 O GLU A 19 -15.948 -4.794 1.785 1.00 0.00 O ATOM 378 CB GLU A 19 -16.804 -2.155 3.570 1.00 0.00 C ATOM 379 CG GLU A 19 -18.000 -3.124 3.620 1.00 0.00 C ATOM 380 CD GLU A 19 -19.276 -2.393 4.026 1.00 0.00 C ATOM 381 OE1 GLU A 19 -19.343 -1.925 5.186 1.00 0.00 O ATOM 382 OE2 GLU A 19 -20.184 -2.228 3.173 1.00 0.00 O ATOM 0 H GLU A 19 -14.825 -0.833 2.976 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.166 -3.515 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.630 -1.753 4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.056 -1.312 2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.137 -3.589 2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.794 -3.926 4.329 1.00 0.00 H new ATOM 389 N LYS A 20 -15.735 -2.888 0.597 1.00 0.00 N ATOM 390 CA LYS A 20 -15.978 -3.550 -0.679 1.00 0.00 C ATOM 391 C LYS A 20 -14.837 -4.507 -0.979 1.00 0.00 C ATOM 392 O LYS A 20 -15.102 -5.670 -1.288 1.00 0.00 O ATOM 393 CB LYS A 20 -16.061 -2.550 -1.851 1.00 0.00 C ATOM 394 CG LYS A 20 -17.125 -1.449 -1.728 1.00 0.00 C ATOM 395 CD LYS A 20 -18.073 -1.385 -2.931 1.00 0.00 C ATOM 396 CE LYS A 20 -19.200 -2.420 -2.848 1.00 0.00 C ATOM 397 NZ LYS A 20 -20.148 -2.126 -1.754 1.00 0.00 N ATOM 0 H LYS A 20 -15.553 -1.887 0.528 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.931 -4.071 -0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.087 -2.074 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.251 -3.110 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.709 -1.617 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.629 -0.485 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.506 -0.387 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.504 -1.546 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.738 -2.446 -3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.771 -3.411 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.028 -2.659 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.726 -2.404 -0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.358 -1.108 -1.741 1.00 0.00 H new ATOM 411 N ILE A 21 -13.581 -4.077 -0.831 1.00 0.00 N ATOM 412 CA ILE A 21 -12.454 -4.959 -1.112 1.00 0.00 C ATOM 413 C ILE A 21 -12.419 -6.069 -0.049 1.00 0.00 C ATOM 414 O ILE A 21 -12.100 -7.210 -0.379 1.00 0.00 O ATOM 415 CB ILE A 21 -11.149 -4.121 -1.214 1.00 0.00 C ATOM 416 CG1 ILE A 21 -10.961 -3.483 -2.608 1.00 0.00 C ATOM 417 CG2 ILE A 21 -9.883 -4.962 -0.984 1.00 0.00 C ATOM 418 CD1 ILE A 21 -12.048 -2.519 -3.070 1.00 0.00 C ATOM 0 H ILE A 21 -13.325 -3.139 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.560 -5.456 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.268 -3.363 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.009 -2.951 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.883 -4.285 -3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.003 -4.325 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.917 -5.406 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.830 -5.753 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.801 -2.140 -4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.004 -3.041 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.117 -1.686 -2.370 1.00 0.00 H new ATOM 430 N ARG A 22 -12.883 -5.820 1.180 1.00 0.00 N ATOM 431 CA ARG A 22 -12.901 -6.808 2.253 1.00 0.00 C ATOM 432 C ARG A 22 -13.894 -7.915 1.957 1.00 0.00 C ATOM 433 O ARG A 22 -13.538 -9.084 2.097 1.00 0.00 O ATOM 434 CB ARG A 22 -13.145 -6.106 3.601 1.00 0.00 C ATOM 435 CG ARG A 22 -13.158 -7.026 4.826 1.00 0.00 C ATOM 436 CD ARG A 22 -11.907 -7.910 4.937 1.00 0.00 C ATOM 437 NE ARG A 22 -11.818 -8.541 6.262 1.00 0.00 N ATOM 438 CZ ARG A 22 -12.573 -9.532 6.738 1.00 0.00 C ATOM 439 NH1 ARG A 22 -13.463 -10.144 5.960 1.00 0.00 N ATOM 440 NH2 ARG A 22 -12.473 -9.883 8.007 1.00 0.00 N ATOM 0 H ARG A 22 -13.260 -4.914 1.457 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.929 -7.297 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.373 -5.350 3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.099 -5.581 3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.246 -6.418 5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.042 -7.663 4.784 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.933 -8.680 4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.016 -7.308 4.757 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.098 -8.180 6.888 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.574 -9.856 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.034 -10.901 6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.819 -9.397 8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.049 -10.641 8.374 1.00 0.00 H new ATOM 454 N LYS A 23 -15.134 -7.598 1.574 1.00 0.00 N ATOM 455 CA LYS A 23 -16.096 -8.661 1.289 1.00 0.00 C ATOM 456 C LYS A 23 -15.900 -9.282 -0.095 1.00 0.00 C ATOM 457 O LYS A 23 -16.144 -10.484 -0.262 1.00 0.00 O ATOM 458 CB LYS A 23 -17.538 -8.202 1.532 1.00 0.00 C ATOM 459 CG LYS A 23 -17.795 -7.998 3.037 1.00 0.00 C ATOM 460 CD LYS A 23 -19.289 -8.050 3.378 1.00 0.00 C ATOM 461 CE LYS A 23 -19.526 -8.115 4.893 1.00 0.00 C ATOM 462 NZ LYS A 23 -19.311 -6.816 5.564 1.00 0.00 N ATOM 0 H LYS A 23 -15.485 -6.648 1.457 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.896 -9.462 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.724 -7.271 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.233 -8.943 1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.267 -8.766 3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.386 -7.037 3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.786 -7.170 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.740 -8.920 2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.545 -8.452 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.858 -8.858 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.485 -6.919 6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.331 -6.504 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.965 -6.110 5.171 1.00 0.00 H new ATOM 476 N LYS A 24 -15.480 -8.505 -1.101 1.00 0.00 N ATOM 477 CA LYS A 24 -15.264 -9.033 -2.448 1.00 0.00 C ATOM 478 C LYS A 24 -14.051 -9.961 -2.450 1.00 0.00 C ATOM 479 O LYS A 24 -14.136 -11.047 -3.024 1.00 0.00 O ATOM 480 CB LYS A 24 -15.092 -7.876 -3.454 1.00 0.00 C ATOM 481 CG LYS A 24 -14.894 -8.313 -4.917 1.00 0.00 C ATOM 482 CD LYS A 24 -16.130 -8.921 -5.590 1.00 0.00 C ATOM 483 CE LYS A 24 -15.751 -9.401 -7.000 1.00 0.00 C ATOM 484 NZ LYS A 24 -16.788 -10.266 -7.598 1.00 0.00 N ATOM 0 H LYS A 24 -15.284 -7.509 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.135 -9.611 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.970 -7.232 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.235 -7.274 -3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.573 -7.448 -5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.084 -9.041 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.508 -9.755 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.929 -8.182 -5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.588 -8.536 -7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.809 -9.947 -6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.486 -10.564 -8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.927 -11.105 -7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.682 -9.739 -7.668 1.00 0.00 H new ATOM 498 N TYR A 25 -12.946 -9.562 -1.816 1.00 0.00 N ATOM 499 CA TYR A 25 -11.719 -10.342 -1.758 1.00 0.00 C ATOM 500 C TYR A 25 -11.141 -10.362 -0.333 1.00 0.00 C ATOM 501 O TYR A 25 -10.194 -9.629 -0.065 1.00 0.00 O ATOM 502 CB TYR A 25 -10.722 -9.769 -2.783 1.00 0.00 C ATOM 503 CG TYR A 25 -11.207 -9.727 -4.223 1.00 0.00 C ATOM 504 CD1 TYR A 25 -11.398 -10.920 -4.945 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.414 -8.492 -4.866 1.00 0.00 C ATOM 506 CE1 TYR A 25 -11.758 -10.885 -6.305 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.731 -8.449 -6.235 1.00 0.00 C ATOM 508 CZ TYR A 25 -11.885 -9.645 -6.966 1.00 0.00 C ATOM 509 OH TYR A 25 -12.133 -9.600 -8.302 1.00 0.00 O ATOM 0 H TYR A 25 -12.883 -8.672 -1.322 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.928 -11.381 -2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.458 -8.756 -2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.808 -10.362 -2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.267 -11.871 -4.451 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.329 -7.573 -4.305 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.937 -11.805 -6.841 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.857 -7.497 -6.729 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.191 -8.666 -8.593 1.00 0.00 H new ATOM 519 N PRO A 26 -11.645 -11.193 0.601 1.00 0.00 N ATOM 520 CA PRO A 26 -11.129 -11.249 1.977 1.00 0.00 C ATOM 521 C PRO A 26 -9.697 -11.791 2.065 1.00 0.00 C ATOM 522 O PRO A 26 -9.003 -11.607 3.066 1.00 0.00 O ATOM 523 CB PRO A 26 -12.119 -12.131 2.744 1.00 0.00 C ATOM 524 CG PRO A 26 -12.718 -13.027 1.661 1.00 0.00 C ATOM 525 CD PRO A 26 -12.753 -12.116 0.435 1.00 0.00 C ATOM 0 HA PRO A 26 -11.058 -10.248 2.401 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.620 -12.716 3.517 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.885 -11.535 3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.107 -13.913 1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.714 -13.376 1.932 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.648 -12.692 -0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.701 -11.582 0.371 1.00 0.00 H new ATOM 533 N ASP A 27 -9.247 -12.467 1.013 1.00 0.00 N ATOM 534 CA ASP A 27 -7.917 -13.047 0.894 1.00 0.00 C ATOM 535 C ASP A 27 -6.852 -11.989 0.617 1.00 0.00 C ATOM 536 O ASP A 27 -5.670 -12.202 0.888 1.00 0.00 O ATOM 537 CB ASP A 27 -7.956 -13.961 -0.332 1.00 0.00 C ATOM 538 CG ASP A 27 -6.596 -14.512 -0.749 1.00 0.00 C ATOM 539 OD1 ASP A 27 -6.129 -15.461 -0.085 1.00 0.00 O ATOM 540 OD2 ASP A 27 -6.092 -14.045 -1.798 1.00 0.00 O ATOM 0 H ASP A 27 -9.823 -12.631 0.188 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.668 -13.557 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.626 -14.796 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.383 -13.408 -1.169 1.00 0.00 H new ATOM 545 N ARG A 28 -7.257 -10.841 0.074 1.00 0.00 N ATOM 546 CA ARG A 28 -6.362 -9.754 -0.294 1.00 0.00 C ATOM 547 C ARG A 28 -6.731 -8.489 0.459 1.00 0.00 C ATOM 548 O ARG A 28 -7.838 -8.390 0.979 1.00 0.00 O ATOM 549 CB ARG A 28 -6.372 -9.607 -1.827 1.00 0.00 C ATOM 550 CG ARG A 28 -6.175 -10.955 -2.545 1.00 0.00 C ATOM 551 CD ARG A 28 -5.575 -10.813 -3.941 1.00 0.00 C ATOM 552 NE ARG A 28 -5.224 -12.136 -4.496 1.00 0.00 N ATOM 553 CZ ARG A 28 -5.455 -12.558 -5.745 1.00 0.00 C ATOM 554 NH1 ARG A 28 -6.278 -11.890 -6.541 1.00 0.00 N ATOM 555 NH2 ARG A 28 -4.845 -13.637 -6.220 1.00 0.00 N ATOM 0 H ARG A 28 -8.237 -10.641 -0.125 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.335 -9.970 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.318 -9.165 -2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.583 -8.918 -2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.526 -11.589 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.137 -11.463 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.287 -10.314 -4.599 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.686 -10.184 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.761 -12.791 -3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.742 -11.047 -6.203 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.448 -12.219 -7.491 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.192 -14.154 -5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.029 -13.949 -7.174 1.00 0.00 H new ATOM 569 N VAL A 29 -5.826 -7.523 0.556 1.00 0.00 N ATOM 570 CA VAL A 29 -6.064 -6.272 1.271 1.00 0.00 C ATOM 571 C VAL A 29 -5.554 -5.090 0.438 1.00 0.00 C ATOM 572 O VAL A 29 -4.592 -5.266 -0.323 1.00 0.00 O ATOM 573 CB VAL A 29 -5.419 -6.352 2.676 1.00 0.00 C ATOM 574 CG1 VAL A 29 -6.107 -7.434 3.527 1.00 0.00 C ATOM 575 CG2 VAL A 29 -3.907 -6.647 2.649 1.00 0.00 C ATOM 0 H VAL A 29 -4.898 -7.585 0.138 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.132 -6.111 1.418 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.557 -5.363 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.640 -7.475 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.164 -7.193 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.005 -8.402 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.526 -6.688 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.732 -7.604 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.392 -5.858 2.101 1.00 0.00 H new ATOM 585 N PRO A 30 -6.208 -3.915 0.501 1.00 0.00 N ATOM 586 CA PRO A 30 -5.776 -2.742 -0.239 1.00 0.00 C ATOM 587 C PRO A 30 -4.561 -2.160 0.496 1.00 0.00 C ATOM 588 O PRO A 30 -4.539 -2.057 1.730 1.00 0.00 O ATOM 589 CB PRO A 30 -6.990 -1.815 -0.290 1.00 0.00 C ATOM 590 CG PRO A 30 -7.726 -2.127 1.005 1.00 0.00 C ATOM 591 CD PRO A 30 -7.355 -3.576 1.338 1.00 0.00 C ATOM 0 HA PRO A 30 -5.454 -2.933 -1.263 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.694 -0.767 -0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.611 -2.014 -1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.423 -1.449 1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.803 -2.014 0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.108 -3.680 2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.192 -4.246 1.139 1.00 0.00 H new ATOM 599 N VAL A 31 -3.525 -1.850 -0.278 1.00 0.00 N ATOM 600 CA VAL A 31 -2.263 -1.309 0.177 1.00 0.00 C ATOM 601 C VAL A 31 -1.916 -0.124 -0.714 1.00 0.00 C ATOM 602 O VAL A 31 -1.899 -0.247 -1.941 1.00 0.00 O ATOM 603 CB VAL A 31 -1.205 -2.435 0.100 1.00 0.00 C ATOM 604 CG1 VAL A 31 0.243 -1.921 0.055 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.352 -3.392 1.290 1.00 0.00 C ATOM 0 H VAL A 31 -3.552 -1.979 -1.290 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.306 -0.958 1.208 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.397 -2.953 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.928 -2.767 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.378 -1.289 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.452 -1.342 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.600 -4.178 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.215 -2.840 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.346 -3.839 1.277 1.00 0.00 H new ATOM 615 N ILE A 32 -1.574 1.013 -0.112 1.00 0.00 N ATOM 616 CA ILE A 32 -1.191 2.201 -0.869 1.00 0.00 C ATOM 617 C ILE A 32 0.321 2.316 -0.763 1.00 0.00 C ATOM 618 O ILE A 32 0.876 2.134 0.321 1.00 0.00 O ATOM 619 CB ILE A 32 -1.891 3.482 -0.382 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.401 3.332 -0.167 1.00 0.00 C ATOM 621 CG2 ILE A 32 -1.628 4.617 -1.387 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.199 2.789 -1.358 1.00 0.00 C ATOM 0 H ILE A 32 -1.555 1.136 0.900 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.509 2.093 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.467 3.709 0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.563 2.671 0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.808 4.306 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.122 5.527 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.555 4.794 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.020 4.336 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.254 2.726 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.080 3.457 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.831 1.797 -1.621 1.00 0.00 H new ATOM 634 N VAL A 33 0.995 2.599 -1.878 1.00 0.00 N ATOM 635 CA VAL A 33 2.447 2.747 -1.915 1.00 0.00 C ATOM 636 C VAL A 33 2.754 4.239 -2.043 1.00 0.00 C ATOM 637 O VAL A 33 2.366 4.854 -3.043 1.00 0.00 O ATOM 638 CB VAL A 33 3.027 1.904 -3.069 1.00 0.00 C ATOM 639 CG1 VAL A 33 4.550 2.067 -3.189 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.713 0.413 -2.867 1.00 0.00 C ATOM 0 H VAL A 33 0.546 2.732 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 33 2.918 2.377 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 33 2.558 2.266 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.917 1.456 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.790 3.113 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.024 1.747 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.132 -0.162 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.151 0.073 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.633 0.270 -2.836 1.00 0.00 H new ATOM 650 N GLU A 34 3.472 4.811 -1.071 1.00 0.00 N ATOM 651 CA GLU A 34 3.847 6.222 -1.042 1.00 0.00 C ATOM 652 C GLU A 34 5.346 6.400 -0.771 1.00 0.00 C ATOM 653 O GLU A 34 5.956 5.628 -0.031 1.00 0.00 O ATOM 654 CB GLU A 34 2.966 6.927 0.001 1.00 0.00 C ATOM 655 CG GLU A 34 3.126 8.451 0.060 1.00 0.00 C ATOM 656 CD GLU A 34 3.806 8.976 1.329 1.00 0.00 C ATOM 657 OE1 GLU A 34 4.755 8.353 1.838 1.00 0.00 O ATOM 658 OE2 GLU A 34 3.402 10.073 1.790 1.00 0.00 O ATOM 0 H GLU A 34 3.815 4.290 -0.264 1.00 0.00 H new ATOM 0 HA GLU A 34 3.675 6.679 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.922 6.694 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.192 6.515 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.703 8.776 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.141 8.909 -0.024 1.00 0.00 H new ATOM 665 N LYS A 35 5.969 7.386 -1.418 1.00 0.00 N ATOM 666 CA LYS A 35 7.386 7.674 -1.228 1.00 0.00 C ATOM 667 C LYS A 35 7.521 8.612 -0.043 1.00 0.00 C ATOM 668 O LYS A 35 6.738 9.559 0.075 1.00 0.00 O ATOM 669 CB LYS A 35 8.031 8.287 -2.488 1.00 0.00 C ATOM 670 CG LYS A 35 7.630 9.735 -2.862 1.00 0.00 C ATOM 671 CD LYS A 35 8.440 10.876 -2.199 1.00 0.00 C ATOM 672 CE LYS A 35 9.942 10.886 -2.488 1.00 0.00 C ATOM 673 NZ LYS A 35 10.228 11.167 -3.904 1.00 0.00 N ATOM 0 H LYS A 35 5.506 8.003 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 35 7.916 6.741 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.113 8.260 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.794 7.643 -3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.714 9.842 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.579 9.873 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.021 11.829 -2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.298 10.816 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.426 11.637 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.370 9.921 -2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.257 11.165 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.788 10.436 -4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.842 12.099 -4.158 1.00 0.00 H new ATOM 687 N ALA A 36 8.530 8.394 0.787 1.00 0.00 N ATOM 688 CA ALA A 36 8.794 9.242 1.932 1.00 0.00 C ATOM 689 C ALA A 36 9.758 10.342 1.446 1.00 0.00 C ATOM 690 O ALA A 36 10.429 10.175 0.418 1.00 0.00 O ATOM 691 CB ALA A 36 9.403 8.375 3.032 1.00 0.00 C ATOM 0 H ALA A 36 9.188 7.622 0.682 1.00 0.00 H new ATOM 0 HA ALA A 36 7.898 9.709 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.612 8.991 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.702 7.585 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.331 7.929 2.672 1.00 0.00 H new ATOM 697 N PRO A 37 9.828 11.482 2.145 1.00 0.00 N ATOM 698 CA PRO A 37 10.688 12.593 1.764 1.00 0.00 C ATOM 699 C PRO A 37 12.170 12.214 1.859 1.00 0.00 C ATOM 700 O PRO A 37 12.532 11.268 2.555 1.00 0.00 O ATOM 701 CB PRO A 37 10.273 13.751 2.675 1.00 0.00 C ATOM 702 CG PRO A 37 9.635 13.076 3.890 1.00 0.00 C ATOM 703 CD PRO A 37 9.082 11.771 3.354 1.00 0.00 C ATOM 0 HA PRO A 37 10.569 12.882 0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.132 14.356 2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.568 14.416 2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.368 12.902 4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.847 13.695 4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.198 10.970 4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.016 11.857 3.143 1.00 0.00 H new ATOM 711 N LYS A 38 13.037 12.982 1.186 1.00 0.00 N ATOM 712 CA LYS A 38 14.499 12.831 1.087 1.00 0.00 C ATOM 713 C LYS A 38 14.960 11.545 0.391 1.00 0.00 C ATOM 714 O LYS A 38 16.039 11.567 -0.200 1.00 0.00 O ATOM 715 CB LYS A 38 15.218 12.966 2.447 1.00 0.00 C ATOM 716 CG LYS A 38 15.331 14.403 2.977 1.00 0.00 C ATOM 717 CD LYS A 38 14.101 14.954 3.702 1.00 0.00 C ATOM 718 CE LYS A 38 13.777 14.115 4.943 1.00 0.00 C ATOM 719 NZ LYS A 38 13.074 14.909 5.966 1.00 0.00 N ATOM 0 H LYS A 38 12.711 13.789 0.654 1.00 0.00 H new ATOM 0 HA LYS A 38 14.790 13.667 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.687 12.363 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.220 12.548 2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.180 14.451 3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.558 15.061 2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.279 15.989 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.246 14.956 3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.161 13.263 4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.700 13.714 5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.871 14.310 6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.673 15.708 6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.182 15.270 5.572 1.00 0.00 H new ATOM 733 N ALA A 39 14.118 10.519 0.275 1.00 0.00 N ATOM 734 CA ALA A 39 14.438 9.227 -0.314 1.00 0.00 C ATOM 735 C ALA A 39 14.918 9.318 -1.767 1.00 0.00 C ATOM 736 O ALA A 39 14.325 10.022 -2.586 1.00 0.00 O ATOM 737 CB ALA A 39 13.162 8.383 -0.254 1.00 0.00 C ATOM 0 H ALA A 39 13.154 10.572 0.604 1.00 0.00 H new ATOM 0 HA ALA A 39 15.262 8.786 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.355 7.401 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.851 8.268 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.371 8.879 -0.817 1.00 0.00 H new ATOM 743 N ARG A 40 15.988 8.590 -2.100 1.00 0.00 N ATOM 744 CA ARG A 40 16.619 8.508 -3.423 1.00 0.00 C ATOM 745 C ARG A 40 15.906 7.417 -4.238 1.00 0.00 C ATOM 746 O ARG A 40 16.495 6.395 -4.572 1.00 0.00 O ATOM 747 CB ARG A 40 18.136 8.242 -3.213 1.00 0.00 C ATOM 748 CG ARG A 40 19.074 8.776 -4.313 1.00 0.00 C ATOM 749 CD ARG A 40 18.984 8.092 -5.684 1.00 0.00 C ATOM 750 NE ARG A 40 19.427 6.688 -5.640 1.00 0.00 N ATOM 751 CZ ARG A 40 18.833 5.663 -6.255 1.00 0.00 C ATOM 752 NH1 ARG A 40 17.977 5.879 -7.251 1.00 0.00 N ATOM 753 NH2 ARG A 40 19.097 4.411 -5.904 1.00 0.00 N ATOM 0 H ARG A 40 16.466 8.007 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 40 16.527 9.434 -3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.434 8.685 -2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.287 7.166 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 40 18.871 9.838 -4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.101 8.691 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.955 8.135 -6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 40 19.594 8.641 -6.402 1.00 0.00 H new ATOM 0 HE ARG A 40 20.261 6.481 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.771 6.833 -7.549 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.527 5.091 -7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 40 19.762 4.221 -5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.635 3.639 -6.384 1.00 0.00 H new ATOM 767 N VAL A 41 14.621 7.593 -4.553 1.00 0.00 N ATOM 768 CA VAL A 41 13.841 6.606 -5.315 1.00 0.00 C ATOM 769 C VAL A 41 13.027 7.298 -6.419 1.00 0.00 C ATOM 770 O VAL A 41 12.583 8.429 -6.212 1.00 0.00 O ATOM 771 CB VAL A 41 12.976 5.758 -4.356 1.00 0.00 C ATOM 772 CG1 VAL A 41 13.844 4.779 -3.548 1.00 0.00 C ATOM 773 CG2 VAL A 41 12.148 6.603 -3.375 1.00 0.00 C ATOM 0 H VAL A 41 14.089 8.422 -4.289 1.00 0.00 H new ATOM 0 HA VAL A 41 14.515 5.916 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 41 12.284 5.212 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.209 4.195 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.368 4.109 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.571 5.338 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.564 5.945 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.816 7.210 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.476 7.254 -3.933 1.00 0.00 H new ATOM 783 N PRO A 42 12.785 6.656 -7.579 1.00 0.00 N ATOM 784 CA PRO A 42 12.040 7.280 -8.669 1.00 0.00 C ATOM 785 C PRO A 42 10.581 7.555 -8.311 1.00 0.00 C ATOM 786 O PRO A 42 10.003 6.888 -7.449 1.00 0.00 O ATOM 787 CB PRO A 42 12.171 6.326 -9.863 1.00 0.00 C ATOM 788 CG PRO A 42 12.424 4.965 -9.217 1.00 0.00 C ATOM 789 CD PRO A 42 13.228 5.323 -7.965 1.00 0.00 C ATOM 0 HA PRO A 42 12.448 8.265 -8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.266 6.318 -10.470 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.992 6.616 -10.519 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.492 4.457 -8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.981 4.301 -9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 42 13.048 4.604 -7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 42 14.298 5.310 -8.170 1.00 0.00 H new ATOM 797 N ASP A 43 9.956 8.512 -9.000 1.00 0.00 N ATOM 798 CA ASP A 43 8.554 8.856 -8.755 1.00 0.00 C ATOM 799 C ASP A 43 7.712 7.879 -9.575 1.00 0.00 C ATOM 800 O ASP A 43 8.070 7.525 -10.702 1.00 0.00 O ATOM 801 CB ASP A 43 8.241 10.326 -9.068 1.00 0.00 C ATOM 802 CG ASP A 43 8.053 10.631 -10.551 1.00 0.00 C ATOM 803 OD1 ASP A 43 9.064 10.656 -11.296 1.00 0.00 O ATOM 804 OD2 ASP A 43 6.911 10.896 -10.984 1.00 0.00 O ATOM 0 H ASP A 43 10.400 9.064 -9.734 1.00 0.00 H new ATOM 0 HA ASP A 43 8.317 8.759 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.336 10.613 -8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.050 10.947 -8.682 1.00 0.00 H new ATOM 809 N LEU A 44 6.621 7.392 -8.985 1.00 0.00 N ATOM 810 CA LEU A 44 5.701 6.418 -9.561 1.00 0.00 C ATOM 811 C LEU A 44 4.298 7.008 -9.618 1.00 0.00 C ATOM 812 O LEU A 44 3.793 7.510 -8.611 1.00 0.00 O ATOM 813 CB LEU A 44 5.727 5.117 -8.729 1.00 0.00 C ATOM 814 CG LEU A 44 7.130 4.489 -8.563 1.00 0.00 C ATOM 815 CD1 LEU A 44 7.093 3.280 -7.620 1.00 0.00 C ATOM 816 CD2 LEU A 44 7.735 4.059 -9.903 1.00 0.00 C ATOM 0 H LEU A 44 6.343 7.681 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 44 6.011 6.176 -10.578 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.317 5.325 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.069 4.386 -9.200 1.00 0.00 H new ATOM 0 HG LEU A 44 7.760 5.267 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.095 2.862 -7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.736 3.594 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.421 2.523 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.720 3.624 -9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.087 3.319 -10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.829 4.927 -10.555 1.00 0.00 H new ATOM 828 N ASP A 45 3.664 6.901 -10.784 1.00 0.00 N ATOM 829 CA ASP A 45 2.321 7.397 -11.079 1.00 0.00 C ATOM 830 C ASP A 45 1.261 6.655 -10.266 1.00 0.00 C ATOM 831 O ASP A 45 0.338 7.265 -9.721 1.00 0.00 O ATOM 832 CB ASP A 45 1.980 7.161 -12.564 1.00 0.00 C ATOM 833 CG ASP A 45 2.911 7.846 -13.555 1.00 0.00 C ATOM 834 OD1 ASP A 45 4.057 7.373 -13.728 1.00 0.00 O ATOM 835 OD2 ASP A 45 2.470 8.805 -14.222 1.00 0.00 O ATOM 0 H ASP A 45 4.094 6.444 -11.588 1.00 0.00 H new ATOM 0 HA ASP A 45 2.317 8.458 -10.830 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.993 6.089 -12.758 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.962 7.506 -12.747 1.00 0.00 H new ATOM 840 N LYS A 46 1.395 5.329 -10.204 1.00 0.00 N ATOM 841 CA LYS A 46 0.497 4.406 -9.521 1.00 0.00 C ATOM 842 C LYS A 46 0.570 4.546 -8.008 1.00 0.00 C ATOM 843 O LYS A 46 1.662 4.689 -7.446 1.00 0.00 O ATOM 844 CB LYS A 46 0.838 2.965 -9.919 1.00 0.00 C ATOM 845 CG LYS A 46 0.654 2.656 -11.416 1.00 0.00 C ATOM 846 CD LYS A 46 1.896 2.866 -12.293 1.00 0.00 C ATOM 847 CE LYS A 46 2.965 1.811 -11.988 1.00 0.00 C ATOM 848 NZ LYS A 46 4.175 1.992 -12.812 1.00 0.00 N ATOM 0 H LYS A 46 2.175 4.849 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.520 4.652 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.872 2.760 -9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.213 2.284 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.330 1.620 -11.518 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.151 3.281 -11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.616 2.813 -13.345 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.303 3.862 -12.121 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.234 1.863 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.553 0.817 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.871 1.257 -12.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.924 1.917 -13.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.584 2.930 -12.627 1.00 0.00 H new ATOM 862 N ARG A 47 -0.592 4.507 -7.347 1.00 0.00 N ATOM 863 CA ARG A 47 -0.691 4.620 -5.893 1.00 0.00 C ATOM 864 C ARG A 47 -1.492 3.492 -5.250 1.00 0.00 C ATOM 865 O ARG A 47 -1.021 2.907 -4.275 1.00 0.00 O ATOM 866 CB ARG A 47 -1.269 5.992 -5.494 1.00 0.00 C ATOM 867 CG ARG A 47 -0.596 7.162 -6.234 1.00 0.00 C ATOM 868 CD ARG A 47 -0.846 8.508 -5.554 1.00 0.00 C ATOM 869 NE ARG A 47 -0.085 8.618 -4.300 1.00 0.00 N ATOM 870 CZ ARG A 47 1.169 9.056 -4.161 1.00 0.00 C ATOM 871 NH1 ARG A 47 1.874 9.497 -5.197 1.00 0.00 N ATOM 872 NH2 ARG A 47 1.715 9.037 -2.956 1.00 0.00 N ATOM 0 H ARG A 47 -1.494 4.395 -7.811 1.00 0.00 H new ATOM 0 HA ARG A 47 0.325 4.530 -5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.339 6.004 -5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.151 6.132 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.477 6.982 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.968 7.202 -7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.562 9.317 -6.227 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.910 8.623 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.565 8.330 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.459 9.507 -6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.830 9.826 -5.061 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.180 8.693 -2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.671 9.366 -2.824 1.00 0.00 H new ATOM 886 N LYS A 48 -2.699 3.225 -5.764 1.00 0.00 N ATOM 887 CA LYS A 48 -3.605 2.205 -5.240 1.00 0.00 C ATOM 888 C LYS A 48 -3.164 0.816 -5.677 1.00 0.00 C ATOM 889 O LYS A 48 -3.110 0.558 -6.883 1.00 0.00 O ATOM 890 CB LYS A 48 -5.042 2.448 -5.767 1.00 0.00 C ATOM 891 CG LYS A 48 -5.563 3.893 -5.792 1.00 0.00 C ATOM 892 CD LYS A 48 -5.498 4.600 -4.436 1.00 0.00 C ATOM 893 CE LYS A 48 -6.114 5.990 -4.594 1.00 0.00 C ATOM 894 NZ LYS A 48 -5.902 6.816 -3.395 1.00 0.00 N ATOM 0 H LYS A 48 -3.077 3.723 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.586 2.269 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.097 2.055 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.726 1.856 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.984 4.465 -6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.596 3.890 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.039 4.028 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.465 4.678 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.676 6.486 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.183 5.895 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.794 6.897 -2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.181 6.372 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.580 7.763 -3.679 1.00 0.00 H new ATOM 908 N TYR A 49 -2.928 -0.081 -4.723 1.00 0.00 N ATOM 909 CA TYR A 49 -2.523 -1.452 -4.977 1.00 0.00 C ATOM 910 C TYR A 49 -3.319 -2.394 -4.079 1.00 0.00 C ATOM 911 O TYR A 49 -3.873 -1.988 -3.064 1.00 0.00 O ATOM 912 CB TYR A 49 -1.009 -1.610 -4.813 1.00 0.00 C ATOM 913 CG TYR A 49 -0.236 -1.131 -6.024 1.00 0.00 C ATOM 914 CD1 TYR A 49 -0.090 -1.989 -7.126 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.308 0.167 -6.069 1.00 0.00 C ATOM 916 CE1 TYR A 49 0.647 -1.589 -8.247 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.016 0.593 -7.207 1.00 0.00 C ATOM 918 CZ TYR A 49 1.212 -0.298 -8.289 1.00 0.00 C ATOM 919 OH TYR A 49 1.966 0.064 -9.362 1.00 0.00 O ATOM 0 H TYR A 49 -3.016 0.135 -3.730 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.746 -1.717 -6.010 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.683 -1.052 -3.935 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.775 -2.659 -4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.550 -2.966 -7.109 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.182 0.835 -5.230 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.782 -2.267 -9.077 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.409 1.598 -7.255 1.00 0.00 H new ATOM 0 HH TYR A 49 1.651 -0.412 -10.159 1.00 0.00 H new ATOM 929 N LEU A 50 -3.360 -3.676 -4.419 1.00 0.00 N ATOM 930 CA LEU A 50 -4.082 -4.707 -3.686 1.00 0.00 C ATOM 931 C LEU A 50 -3.174 -5.933 -3.690 1.00 0.00 C ATOM 932 O LEU A 50 -2.680 -6.288 -4.762 1.00 0.00 O ATOM 933 CB LEU A 50 -5.433 -4.909 -4.396 1.00 0.00 C ATOM 934 CG LEU A 50 -6.618 -5.082 -3.436 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.910 -4.731 -4.177 1.00 0.00 C ATOM 936 CD2 LEU A 50 -6.665 -6.506 -2.889 1.00 0.00 C ATOM 0 H LEU A 50 -2.875 -4.038 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.311 -4.463 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.624 -4.053 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.367 -5.787 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.501 -4.412 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.759 -4.850 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.863 -3.698 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.030 -5.394 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.512 -6.607 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.775 -7.209 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.742 -6.720 -2.351 1.00 0.00 H new ATOM 948 N VAL A 51 -2.947 -6.568 -2.536 1.00 0.00 N ATOM 949 CA VAL A 51 -2.054 -7.728 -2.405 1.00 0.00 C ATOM 950 C VAL A 51 -2.653 -8.846 -1.536 1.00 0.00 C ATOM 951 O VAL A 51 -3.498 -8.543 -0.694 1.00 0.00 O ATOM 952 CB VAL A 51 -0.726 -7.239 -1.774 1.00 0.00 C ATOM 953 CG1 VAL A 51 -0.020 -6.198 -2.655 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.920 -6.642 -0.370 1.00 0.00 C ATOM 0 H VAL A 51 -3.382 -6.290 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.897 -8.152 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.104 -8.131 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.906 -5.883 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.206 -6.637 -3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.671 -5.334 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.043 -6.316 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.596 -5.789 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.345 -7.397 0.291 1.00 0.00 H new ATOM 964 N PRO A 52 -2.236 -10.119 -1.698 1.00 0.00 N ATOM 965 CA PRO A 52 -2.737 -11.235 -0.895 1.00 0.00 C ATOM 966 C PRO A 52 -2.208 -11.163 0.545 1.00 0.00 C ATOM 967 O PRO A 52 -1.159 -10.574 0.798 1.00 0.00 O ATOM 968 CB PRO A 52 -2.272 -12.502 -1.619 1.00 0.00 C ATOM 969 CG PRO A 52 -0.976 -12.052 -2.290 1.00 0.00 C ATOM 970 CD PRO A 52 -1.255 -10.598 -2.665 1.00 0.00 C ATOM 0 HA PRO A 52 -3.823 -11.216 -0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.103 -13.326 -0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.007 -12.844 -2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.124 -12.136 -1.615 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.748 -12.656 -3.168 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.343 -10.002 -2.625 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.640 -10.524 -3.682 1.00 0.00 H new ATOM 978 N SER A 53 -2.913 -11.805 1.480 1.00 0.00 N ATOM 979 CA SER A 53 -2.568 -11.829 2.902 1.00 0.00 C ATOM 980 C SER A 53 -1.584 -12.944 3.293 1.00 0.00 C ATOM 981 O SER A 53 -0.849 -12.797 4.270 1.00 0.00 O ATOM 982 CB SER A 53 -3.858 -11.897 3.737 1.00 0.00 C ATOM 983 OG SER A 53 -4.779 -12.878 3.283 1.00 0.00 O ATOM 0 H SER A 53 -3.758 -12.334 1.264 1.00 0.00 H new ATOM 0 HA SER A 53 -2.034 -10.903 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.598 -12.107 4.775 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.343 -10.921 3.721 1.00 0.00 H new ATOM 0 HG SER A 53 -5.331 -12.502 2.566 1.00 0.00 H new ATOM 989 N ASP A 54 -1.512 -14.031 2.519 1.00 0.00 N ATOM 990 CA ASP A 54 -0.622 -15.164 2.807 1.00 0.00 C ATOM 991 C ASP A 54 0.859 -14.850 2.560 1.00 0.00 C ATOM 992 O ASP A 54 1.735 -15.421 3.202 1.00 0.00 O ATOM 993 CB ASP A 54 -1.015 -16.383 1.950 1.00 0.00 C ATOM 994 CG ASP A 54 -2.224 -17.150 2.480 1.00 0.00 C ATOM 995 OD1 ASP A 54 -2.258 -17.491 3.679 1.00 0.00 O ATOM 996 OD2 ASP A 54 -3.149 -17.456 1.688 1.00 0.00 O ATOM 0 H ASP A 54 -2.069 -14.152 1.673 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.744 -15.379 3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.227 -16.048 0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.164 -17.062 1.890 1.00 0.00 H new ATOM 1001 N LEU A 55 1.141 -13.928 1.636 1.00 0.00 N ATOM 1002 CA LEU A 55 2.487 -13.532 1.231 1.00 0.00 C ATOM 1003 C LEU A 55 3.360 -12.951 2.346 1.00 0.00 C ATOM 1004 O LEU A 55 2.981 -11.965 2.985 1.00 0.00 O ATOM 1005 CB LEU A 55 2.356 -12.529 0.073 1.00 0.00 C ATOM 1006 CG LEU A 55 3.671 -12.153 -0.640 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.404 -13.372 -1.214 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.354 -11.192 -1.791 1.00 0.00 C ATOM 0 H LEU A 55 0.412 -13.421 1.134 1.00 0.00 H new ATOM 0 HA LEU A 55 3.008 -14.440 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.670 -12.943 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.899 -11.617 0.457 1.00 0.00 H new ATOM 0 HG LEU A 55 4.322 -11.692 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.322 -13.047 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.648 -14.063 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.763 -13.873 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.277 -10.920 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.679 -11.678 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.880 -10.294 -1.395 1.00 0.00 H new ATOM 1020 N THR A 56 4.566 -13.503 2.517 1.00 0.00 N ATOM 1021 CA THR A 56 5.538 -13.041 3.506 1.00 0.00 C ATOM 1022 C THR A 56 6.021 -11.633 3.118 1.00 0.00 C ATOM 1023 O THR A 56 6.206 -11.342 1.929 1.00 0.00 O ATOM 1024 CB THR A 56 6.709 -14.031 3.641 1.00 0.00 C ATOM 1025 OG1 THR A 56 7.174 -14.464 2.368 1.00 0.00 O ATOM 1026 CG2 THR A 56 6.293 -15.247 4.473 1.00 0.00 C ATOM 0 H THR A 56 4.896 -14.294 1.964 1.00 0.00 H new ATOM 0 HA THR A 56 5.061 -12.990 4.485 1.00 0.00 H new ATOM 0 HB THR A 56 7.521 -13.507 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.918 -15.090 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.134 -15.935 4.557 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.990 -14.921 5.468 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.458 -15.752 3.987 1.00 0.00 H new ATOM 1034 N VAL A 57 6.274 -10.777 4.108 1.00 0.00 N ATOM 1035 CA VAL A 57 6.721 -9.394 3.959 1.00 0.00 C ATOM 1036 C VAL A 57 8.021 -9.293 3.150 1.00 0.00 C ATOM 1037 O VAL A 57 8.109 -8.460 2.244 1.00 0.00 O ATOM 1038 CB VAL A 57 6.857 -8.785 5.376 1.00 0.00 C ATOM 1039 CG1 VAL A 57 7.489 -7.390 5.372 1.00 0.00 C ATOM 1040 CG2 VAL A 57 5.515 -8.649 6.103 1.00 0.00 C ATOM 0 H VAL A 57 6.167 -11.045 5.086 1.00 0.00 H new ATOM 0 HA VAL A 57 5.987 -8.826 3.388 1.00 0.00 H new ATOM 0 HB VAL A 57 7.502 -9.494 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.556 -7.018 6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.488 -7.444 4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.873 -6.713 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.678 -8.216 7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.854 -8.001 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.057 -9.633 6.209 1.00 0.00 H new ATOM 1050 N GLY A 58 9.002 -10.164 3.414 1.00 0.00 N ATOM 1051 CA GLY A 58 10.287 -10.148 2.720 1.00 0.00 C ATOM 1052 C GLY A 58 10.142 -10.255 1.205 1.00 0.00 C ATOM 1053 O GLY A 58 10.776 -9.501 0.465 1.00 0.00 O ATOM 0 H GLY A 58 8.923 -10.899 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.816 -9.227 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.900 -10.974 3.081 1.00 0.00 H new ATOM 1057 N GLN A 59 9.279 -11.158 0.728 1.00 0.00 N ATOM 1058 CA GLN A 59 9.068 -11.337 -0.704 1.00 0.00 C ATOM 1059 C GLN A 59 8.540 -10.049 -1.334 1.00 0.00 C ATOM 1060 O GLN A 59 9.054 -9.629 -2.371 1.00 0.00 O ATOM 1061 CB GLN A 59 8.117 -12.515 -0.976 1.00 0.00 C ATOM 1062 CG GLN A 59 8.774 -13.889 -0.757 1.00 0.00 C ATOM 1063 CD GLN A 59 9.926 -14.177 -1.726 1.00 0.00 C ATOM 1064 OE1 GLN A 59 10.070 -13.553 -2.776 1.00 0.00 O ATOM 1065 NE2 GLN A 59 10.817 -15.093 -1.386 1.00 0.00 N ATOM 0 H GLN A 59 8.718 -11.774 1.316 1.00 0.00 H new ATOM 0 HA GLN A 59 10.028 -11.571 -1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.247 -12.428 -0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.756 -12.452 -2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.147 -13.946 0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.017 -14.666 -0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.705 -15.615 -0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.616 -15.277 -1.993 1.00 0.00 H new ATOM 1074 N PHE A 60 7.543 -9.401 -0.721 1.00 0.00 N ATOM 1075 CA PHE A 60 7.006 -8.165 -1.274 1.00 0.00 C ATOM 1076 C PHE A 60 8.090 -7.091 -1.325 1.00 0.00 C ATOM 1077 O PHE A 60 8.240 -6.437 -2.359 1.00 0.00 O ATOM 1078 CB PHE A 60 5.789 -7.684 -0.490 1.00 0.00 C ATOM 1079 CG PHE A 60 5.289 -6.322 -0.932 1.00 0.00 C ATOM 1080 CD1 PHE A 60 4.597 -6.176 -2.150 1.00 0.00 C ATOM 1081 CD2 PHE A 60 5.542 -5.194 -0.130 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.159 -4.904 -2.562 1.00 0.00 C ATOM 1083 CE2 PHE A 60 5.110 -3.924 -0.544 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.420 -3.777 -1.759 1.00 0.00 C ATOM 0 H PHE A 60 7.101 -9.710 0.145 1.00 0.00 H new ATOM 0 HA PHE A 60 6.674 -8.367 -2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.985 -8.411 -0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.041 -7.644 0.570 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.403 -7.040 -2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.070 -5.305 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.623 -4.792 -3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.308 -3.059 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.090 -2.799 -2.077 1.00 0.00 H new ATOM 1094 N TYR A 61 8.856 -6.924 -0.240 1.00 0.00 N ATOM 1095 CA TYR A 61 9.924 -5.934 -0.185 1.00 0.00 C ATOM 1096 C TYR A 61 10.939 -6.210 -1.302 1.00 0.00 C ATOM 1097 O TYR A 61 11.384 -5.276 -1.970 1.00 0.00 O ATOM 1098 CB TYR A 61 10.588 -5.936 1.206 1.00 0.00 C ATOM 1099 CG TYR A 61 9.801 -5.374 2.392 1.00 0.00 C ATOM 1100 CD1 TYR A 61 8.588 -4.665 2.240 1.00 0.00 C ATOM 1101 CD2 TYR A 61 10.354 -5.503 3.681 1.00 0.00 C ATOM 1102 CE1 TYR A 61 7.940 -4.101 3.356 1.00 0.00 C ATOM 1103 CE2 TYR A 61 9.718 -4.934 4.801 1.00 0.00 C ATOM 1104 CZ TYR A 61 8.507 -4.227 4.645 1.00 0.00 C ATOM 1105 OH TYR A 61 7.921 -3.657 5.735 1.00 0.00 O ATOM 0 H TYR A 61 8.750 -7.470 0.615 1.00 0.00 H new ATOM 0 HA TYR A 61 9.508 -4.939 -0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 61 10.856 -6.965 1.444 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.519 -5.374 1.130 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.153 -4.554 1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.278 -6.046 3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.008 -3.571 3.227 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.158 -5.039 5.782 1.00 0.00 H new ATOM 0 HH TYR A 61 8.455 -3.852 6.533 1.00 0.00 H new ATOM 1115 N PHE A 62 11.305 -7.475 -1.542 1.00 0.00 N ATOM 1116 CA PHE A 62 12.250 -7.834 -2.595 1.00 0.00 C ATOM 1117 C PHE A 62 11.680 -7.515 -3.984 1.00 0.00 C ATOM 1118 O PHE A 62 12.398 -6.963 -4.823 1.00 0.00 O ATOM 1119 CB PHE A 62 12.662 -9.307 -2.490 1.00 0.00 C ATOM 1120 CG PHE A 62 13.882 -9.601 -3.340 1.00 0.00 C ATOM 1121 CD1 PHE A 62 15.165 -9.340 -2.822 1.00 0.00 C ATOM 1122 CD2 PHE A 62 13.745 -10.070 -4.660 1.00 0.00 C ATOM 1123 CE1 PHE A 62 16.306 -9.542 -3.617 1.00 0.00 C ATOM 1124 CE2 PHE A 62 14.888 -10.270 -5.455 1.00 0.00 C ATOM 1125 CZ PHE A 62 16.168 -10.004 -4.935 1.00 0.00 C ATOM 0 H PHE A 62 10.954 -8.272 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 62 13.146 -7.228 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.873 -9.554 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.834 -9.942 -2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.273 -8.983 -1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.764 -10.276 -5.062 1.00 0.00 H new ATOM 0 HE1 PHE A 62 17.288 -9.342 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.783 -10.629 -6.468 1.00 0.00 H new ATOM 0 HZ PHE A 62 17.043 -10.155 -5.549 1.00 0.00 H new ATOM 1135 N LEU A 63 10.407 -7.835 -4.234 1.00 0.00 N ATOM 1136 CA LEU A 63 9.758 -7.564 -5.518 1.00 0.00 C ATOM 1137 C LEU A 63 9.723 -6.057 -5.761 1.00 0.00 C ATOM 1138 O LEU A 63 10.023 -5.610 -6.866 1.00 0.00 O ATOM 1139 CB LEU A 63 8.344 -8.172 -5.569 1.00 0.00 C ATOM 1140 CG LEU A 63 8.292 -9.538 -6.276 1.00 0.00 C ATOM 1141 CD1 LEU A 63 9.132 -10.628 -5.601 1.00 0.00 C ATOM 1142 CD2 LEU A 63 6.836 -10.014 -6.350 1.00 0.00 C ATOM 0 H LEU A 63 9.799 -8.289 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 63 10.336 -8.036 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.967 -8.283 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.677 -7.480 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 63 8.720 -9.382 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.040 -11.558 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.177 -10.320 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.777 -10.782 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.794 -10.982 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.433 -10.109 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.245 -9.290 -6.911 1.00 0.00 H new ATOM 1154 N ILE A 64 9.372 -5.261 -4.745 1.00 0.00 N ATOM 1155 CA ILE A 64 9.332 -3.808 -4.861 1.00 0.00 C ATOM 1156 C ILE A 64 10.743 -3.320 -5.185 1.00 0.00 C ATOM 1157 O ILE A 64 10.888 -2.547 -6.127 1.00 0.00 O ATOM 1158 CB ILE A 64 8.765 -3.163 -3.585 1.00 0.00 C ATOM 1159 CG1 ILE A 64 7.248 -3.388 -3.428 1.00 0.00 C ATOM 1160 CG2 ILE A 64 9.057 -1.662 -3.563 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.353 -2.640 -4.432 1.00 0.00 C ATOM 0 H ILE A 64 9.109 -5.610 -3.823 1.00 0.00 H new ATOM 0 HA ILE A 64 8.660 -3.511 -5.666 1.00 0.00 H new ATOM 0 HB ILE A 64 9.263 -3.652 -2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.047 -4.456 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.958 -3.091 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.648 -1.225 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.135 -1.501 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.597 -1.189 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.307 -2.871 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.513 -1.566 -4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.604 -2.952 -5.446 1.00 0.00 H new ATOM 1173 N ARG A 65 11.775 -3.773 -4.459 1.00 0.00 N ATOM 1174 CA ARG A 65 13.165 -3.380 -4.699 1.00 0.00 C ATOM 1175 C ARG A 65 13.493 -3.568 -6.182 1.00 0.00 C ATOM 1176 O ARG A 65 13.927 -2.626 -6.847 1.00 0.00 O ATOM 1177 CB ARG A 65 14.083 -4.171 -3.756 1.00 0.00 C ATOM 1178 CG ARG A 65 15.572 -3.899 -3.995 1.00 0.00 C ATOM 1179 CD ARG A 65 16.407 -4.620 -2.933 1.00 0.00 C ATOM 1180 NE ARG A 65 17.840 -4.379 -3.144 1.00 0.00 N ATOM 1181 CZ ARG A 65 18.703 -3.791 -2.308 1.00 0.00 C ATOM 1182 NH1 ARG A 65 18.379 -3.514 -1.052 1.00 0.00 N ATOM 1183 NH2 ARG A 65 19.918 -3.467 -2.723 1.00 0.00 N ATOM 0 H ARG A 65 11.665 -4.427 -3.684 1.00 0.00 H new ATOM 0 HA ARG A 65 13.325 -2.325 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.836 -3.921 -2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.890 -5.237 -3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.859 -4.240 -4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.766 -2.827 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.118 -4.275 -1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 65 16.204 -5.690 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 65 18.223 -4.698 -4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.451 -3.750 -0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.058 -3.065 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.199 -3.666 -3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.573 -3.019 -2.082 1.00 0.00 H new ATOM 1197 N LYS A 66 13.185 -4.746 -6.733 1.00 0.00 N ATOM 1198 CA LYS A 66 13.422 -5.056 -8.139 1.00 0.00 C ATOM 1199 C LYS A 66 12.631 -4.079 -9.003 1.00 0.00 C ATOM 1200 O LYS A 66 13.179 -3.547 -9.970 1.00 0.00 O ATOM 1201 CB LYS A 66 13.039 -6.528 -8.392 1.00 0.00 C ATOM 1202 CG LYS A 66 13.086 -7.006 -9.855 1.00 0.00 C ATOM 1203 CD LYS A 66 11.846 -6.640 -10.691 1.00 0.00 C ATOM 1204 CE LYS A 66 11.676 -7.534 -11.926 1.00 0.00 C ATOM 1205 NZ LYS A 66 12.864 -7.557 -12.808 1.00 0.00 N ATOM 0 H LYS A 66 12.762 -5.513 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 66 14.473 -4.941 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.705 -7.160 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.030 -6.689 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.968 -6.581 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.208 -8.089 -9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.956 -6.718 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.922 -5.600 -11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.455 -8.551 -11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.815 -7.189 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.669 -8.152 -13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.084 -6.589 -13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.676 -7.946 -12.287 1.00 0.00 H new ATOM 1219 N ARG A 67 11.362 -3.819 -8.685 1.00 0.00 N ATOM 1220 CA ARG A 67 10.500 -2.898 -9.426 1.00 0.00 C ATOM 1221 C ARG A 67 10.977 -1.442 -9.371 1.00 0.00 C ATOM 1222 O ARG A 67 10.614 -0.711 -10.289 1.00 0.00 O ATOM 1223 CB ARG A 67 9.051 -2.997 -8.909 1.00 0.00 C ATOM 1224 CG ARG A 67 8.323 -4.281 -9.341 1.00 0.00 C ATOM 1225 CD ARG A 67 7.031 -4.455 -8.525 1.00 0.00 C ATOM 1226 NE ARG A 67 6.177 -5.542 -9.038 1.00 0.00 N ATOM 1227 CZ ARG A 67 5.382 -5.479 -10.116 1.00 0.00 C ATOM 1228 NH1 ARG A 67 5.273 -4.362 -10.821 1.00 0.00 N ATOM 1229 NH2 ARG A 67 4.671 -6.527 -10.502 1.00 0.00 N ATOM 0 H ARG A 67 10.895 -4.252 -7.888 1.00 0.00 H new ATOM 0 HA ARG A 67 10.547 -3.203 -10.471 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.059 -2.944 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.488 -2.134 -9.266 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.088 -4.235 -10.404 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.973 -5.144 -9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.287 -4.659 -7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.470 -3.521 -8.537 1.00 0.00 H new ATOM 0 HE ARG A 67 6.192 -6.424 -8.525 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.799 -3.532 -10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.663 -4.332 -11.638 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.723 -7.400 -9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.071 -6.461 -11.325 1.00 0.00 H new ATOM 1243 N ILE A 68 11.733 -0.983 -8.362 1.00 0.00 N ATOM 1244 CA ILE A 68 12.211 0.409 -8.291 1.00 0.00 C ATOM 1245 C ILE A 68 13.665 0.574 -8.743 1.00 0.00 C ATOM 1246 O ILE A 68 14.072 1.699 -9.022 1.00 0.00 O ATOM 1247 CB ILE A 68 11.929 1.044 -6.912 1.00 0.00 C ATOM 1248 CG1 ILE A 68 12.715 0.353 -5.778 1.00 0.00 C ATOM 1249 CG2 ILE A 68 10.409 1.051 -6.666 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.458 0.934 -4.385 1.00 0.00 C ATOM 0 H ILE A 68 12.030 -1.561 -7.576 1.00 0.00 H new ATOM 0 HA ILE A 68 11.626 0.972 -9.018 1.00 0.00 H new ATOM 0 HB ILE A 68 12.285 2.074 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 68 12.460 -0.707 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.781 0.423 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.200 1.498 -5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.917 1.632 -7.446 1.00 0.00 H new ATOM 0 HG23 ILE A 68 10.033 0.028 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.050 0.390 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.741 1.987 -4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.400 0.840 -4.141 1.00 0.00 H new ATOM 1262 N HIS A 69 14.415 -0.523 -8.894 1.00 0.00 N ATOM 1263 CA HIS A 69 15.809 -0.611 -9.336 1.00 0.00 C ATOM 1264 C HIS A 69 16.774 0.377 -8.645 1.00 0.00 C ATOM 1265 O HIS A 69 17.022 1.490 -9.124 1.00 0.00 O ATOM 1266 CB HIS A 69 15.904 -0.595 -10.880 1.00 0.00 C ATOM 1267 CG HIS A 69 14.594 -0.524 -11.632 1.00 0.00 C ATOM 1268 ND1 HIS A 69 13.712 -1.561 -11.823 1.00 0.00 N ATOM 1269 CD2 HIS A 69 14.041 0.598 -12.189 1.00 0.00 C ATOM 1270 CE1 HIS A 69 12.659 -1.087 -12.507 1.00 0.00 C ATOM 1271 NE2 HIS A 69 12.841 0.210 -12.798 1.00 0.00 N ATOM 0 H HIS A 69 14.031 -1.446 -8.694 1.00 0.00 H new ATOM 0 HA HIS A 69 16.171 -1.581 -8.996 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.515 0.258 -11.176 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.433 -1.493 -11.199 1.00 0.00 H new ATOM 0 HD1 HIS A 69 13.836 -2.521 -11.502 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.453 1.596 -12.163 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.790 -1.666 -12.783 1.00 0.00 H new ATOM 1279 N LEU A 70 17.312 -0.037 -7.499 1.00 0.00 N ATOM 1280 CA LEU A 70 18.260 0.681 -6.639 1.00 0.00 C ATOM 1281 C LEU A 70 19.566 -0.110 -6.476 1.00 0.00 C ATOM 1282 O LEU A 70 19.611 -1.298 -6.808 1.00 0.00 O ATOM 1283 CB LEU A 70 17.591 1.158 -5.346 1.00 0.00 C ATOM 1284 CG LEU A 70 16.840 0.086 -4.533 1.00 0.00 C ATOM 1285 CD1 LEU A 70 17.793 -0.806 -3.734 1.00 0.00 C ATOM 1286 CD2 LEU A 70 15.892 0.813 -3.588 1.00 0.00 C ATOM 0 H LEU A 70 17.081 -0.953 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 70 18.570 1.606 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 70 18.356 1.599 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.888 1.953 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 70 16.299 -0.569 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.218 -1.546 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.474 -1.314 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.367 -0.194 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.341 0.084 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.465 1.462 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.191 1.414 -4.167 1.00 0.00 H new ATOM 1298 N ARG A 71 20.658 0.585 -6.141 1.00 0.00 N ATOM 1299 CA ARG A 71 22.000 0.017 -5.982 1.00 0.00 C ATOM 1300 C ARG A 71 22.112 -0.892 -4.752 1.00 0.00 C ATOM 1301 O ARG A 71 21.307 -0.776 -3.830 1.00 0.00 O ATOM 1302 CB ARG A 71 23.014 1.180 -5.878 1.00 0.00 C ATOM 1303 CG ARG A 71 22.858 2.291 -6.929 1.00 0.00 C ATOM 1304 CD ARG A 71 22.911 1.778 -8.373 1.00 0.00 C ATOM 1305 NE ARG A 71 22.748 2.905 -9.299 1.00 0.00 N ATOM 1306 CZ ARG A 71 21.671 3.228 -10.019 1.00 0.00 C ATOM 1307 NH1 ARG A 71 20.751 2.314 -10.304 1.00 0.00 N ATOM 1308 NH2 ARG A 71 21.526 4.478 -10.434 1.00 0.00 N ATOM 0 H ARG A 71 20.631 1.590 -5.968 1.00 0.00 H new ATOM 0 HA ARG A 71 22.213 -0.607 -6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 71 22.928 1.626 -4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 71 24.021 0.769 -5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 71 21.909 2.802 -6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 71 23.646 3.030 -6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 71 23.861 1.276 -8.557 1.00 0.00 H new ATOM 0 HD3 ARG A 71 22.125 1.041 -8.538 1.00 0.00 H new ATOM 0 HE ARG A 71 23.557 3.517 -9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 71 20.864 1.356 -9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.931 2.570 -10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 71 22.232 5.177 -10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.709 4.741 -10.985 1.00 0.00 H new ATOM 1322 N PRO A 72 23.142 -1.756 -4.677 1.00 0.00 N ATOM 1323 CA PRO A 72 23.332 -2.645 -3.538 1.00 0.00 C ATOM 1324 C PRO A 72 23.768 -1.882 -2.287 1.00 0.00 C ATOM 1325 O PRO A 72 23.515 -2.358 -1.183 1.00 0.00 O ATOM 1326 CB PRO A 72 24.416 -3.640 -3.962 1.00 0.00 C ATOM 1327 CG PRO A 72 25.228 -2.857 -4.982 1.00 0.00 C ATOM 1328 CD PRO A 72 24.167 -2.012 -5.678 1.00 0.00 C ATOM 0 HA PRO A 72 22.398 -3.142 -3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 72 25.027 -3.954 -3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.986 -4.542 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.989 -2.239 -4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 72 25.744 -3.516 -5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.592 -1.079 -6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.751 -2.537 -6.538 1.00 0.00 H new ATOM 1336 N GLU A 73 24.412 -0.728 -2.473 1.00 0.00 N ATOM 1337 CA GLU A 73 24.917 0.141 -1.422 1.00 0.00 C ATOM 1338 C GLU A 73 23.827 0.994 -0.776 1.00 0.00 C ATOM 1339 O GLU A 73 24.031 1.533 0.312 1.00 0.00 O ATOM 1340 CB GLU A 73 25.975 1.067 -2.049 1.00 0.00 C ATOM 1341 CG GLU A 73 27.279 0.348 -2.417 1.00 0.00 C ATOM 1342 CD GLU A 73 27.895 -0.417 -1.243 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.782 0.034 -0.078 1.00 0.00 O ATOM 1344 OE2 GLU A 73 28.474 -1.501 -1.499 1.00 0.00 O ATOM 0 H GLU A 73 24.602 -0.362 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 73 25.334 -0.486 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.558 1.527 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 73 26.199 1.874 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.086 -0.347 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 73 27.999 1.079 -2.784 1.00 0.00 H new ATOM 1351 N ASP A 74 22.679 1.149 -1.432 1.00 0.00 N ATOM 1352 CA ASP A 74 21.579 1.941 -0.895 1.00 0.00 C ATOM 1353 C ASP A 74 20.972 1.190 0.290 1.00 0.00 C ATOM 1354 O ASP A 74 21.135 -0.028 0.405 1.00 0.00 O ATOM 1355 CB ASP A 74 20.537 2.213 -1.991 1.00 0.00 C ATOM 1356 CG ASP A 74 21.046 3.173 -3.067 1.00 0.00 C ATOM 1357 OD1 ASP A 74 21.826 4.100 -2.731 1.00 0.00 O ATOM 1358 OD2 ASP A 74 20.717 2.984 -4.263 1.00 0.00 O ATOM 0 H ASP A 74 22.487 0.732 -2.343 1.00 0.00 H new ATOM 0 HA ASP A 74 21.941 2.909 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.252 1.270 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.638 2.628 -1.536 1.00 0.00 H new ATOM 1363 N ALA A 75 20.310 1.892 1.207 1.00 0.00 N ATOM 1364 CA ALA A 75 19.668 1.318 2.381 1.00 0.00 C ATOM 1365 C ALA A 75 18.172 1.416 2.135 1.00 0.00 C ATOM 1366 O ALA A 75 17.650 2.528 2.055 1.00 0.00 O ATOM 1367 CB ALA A 75 20.101 2.073 3.634 1.00 0.00 C ATOM 0 H ALA A 75 20.204 2.905 1.149 1.00 0.00 H new ATOM 0 HA ALA A 75 19.952 0.278 2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.616 1.637 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.183 2.002 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.814 3.121 3.545 1.00 0.00 H new ATOM 1373 N LEU A 76 17.490 0.284 1.948 1.00 0.00 N ATOM 1374 CA LEU A 76 16.057 0.289 1.675 1.00 0.00 C ATOM 1375 C LEU A 76 15.253 0.025 2.939 1.00 0.00 C ATOM 1376 O LEU A 76 15.416 -1.026 3.573 1.00 0.00 O ATOM 1377 CB LEU A 76 15.748 -0.729 0.567 1.00 0.00 C ATOM 1378 CG LEU A 76 14.268 -0.712 0.137 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.839 0.659 -0.403 1.00 0.00 C ATOM 1380 CD2 LEU A 76 14.051 -1.798 -0.925 1.00 0.00 C ATOM 0 H LEU A 76 17.909 -0.645 1.981 1.00 0.00 H new ATOM 0 HA LEU A 76 15.760 1.278 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.376 -0.519 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 76 16.009 -1.728 0.915 1.00 0.00 H new ATOM 0 HG LEU A 76 13.651 -0.912 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.789 0.623 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.976 1.414 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.447 0.915 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.007 -1.797 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.689 -1.597 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.303 -2.772 -0.506 1.00 0.00 H new ATOM 1392 N PHE A 77 14.350 0.949 3.262 1.00 0.00 N ATOM 1393 CA PHE A 77 13.474 0.891 4.420 1.00 0.00 C ATOM 1394 C PHE A 77 12.024 1.049 3.970 1.00 0.00 C ATOM 1395 O PHE A 77 11.732 1.683 2.951 1.00 0.00 O ATOM 1396 CB PHE A 77 13.859 1.978 5.431 1.00 0.00 C ATOM 1397 CG PHE A 77 15.299 1.907 5.908 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.768 0.753 6.567 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.176 2.985 5.683 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.106 0.676 6.991 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.510 2.912 6.119 1.00 0.00 C ATOM 1402 CZ PHE A 77 17.976 1.756 6.768 1.00 0.00 C ATOM 0 H PHE A 77 14.207 1.788 2.700 1.00 0.00 H new ATOM 0 HA PHE A 77 13.583 -0.076 4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.686 2.955 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.198 1.904 6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.098 -0.074 6.747 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.823 3.870 5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.465 -0.213 7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.178 3.745 5.955 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.004 1.698 7.095 1.00 0.00 H new ATOM 1412 N PHE A 78 11.120 0.437 4.728 1.00 0.00 N ATOM 1413 CA PHE A 78 9.686 0.446 4.512 1.00 0.00 C ATOM 1414 C PHE A 78 9.041 0.697 5.869 1.00 0.00 C ATOM 1415 O PHE A 78 9.553 0.216 6.884 1.00 0.00 O ATOM 1416 CB PHE A 78 9.209 -0.912 3.991 1.00 0.00 C ATOM 1417 CG PHE A 78 9.651 -1.340 2.607 1.00 0.00 C ATOM 1418 CD1 PHE A 78 10.906 -1.947 2.419 1.00 0.00 C ATOM 1419 CD2 PHE A 78 8.746 -1.258 1.531 1.00 0.00 C ATOM 1420 CE1 PHE A 78 11.255 -2.465 1.161 1.00 0.00 C ATOM 1421 CE2 PHE A 78 9.086 -1.801 0.282 1.00 0.00 C ATOM 1422 CZ PHE A 78 10.346 -2.396 0.093 1.00 0.00 C ATOM 0 H PHE A 78 11.386 -0.105 5.550 1.00 0.00 H new ATOM 0 HA PHE A 78 9.420 1.209 3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.538 -1.674 4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.119 -0.912 4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.602 -2.015 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.789 -0.777 1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.225 -2.917 1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.380 -1.762 -0.534 1.00 0.00 H new ATOM 0 HZ PHE A 78 10.614 -2.799 -0.872 1.00 0.00 H new ATOM 1432 N PHE A 79 7.904 1.388 5.870 1.00 0.00 N ATOM 1433 CA PHE A 79 7.150 1.733 7.062 1.00 0.00 C ATOM 1434 C PHE A 79 5.663 1.551 6.767 1.00 0.00 C ATOM 1435 O PHE A 79 5.226 1.628 5.615 1.00 0.00 O ATOM 1436 CB PHE A 79 7.434 3.200 7.447 1.00 0.00 C ATOM 1437 CG PHE A 79 8.895 3.618 7.385 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.445 4.064 6.167 1.00 0.00 C ATOM 1439 CD2 PHE A 79 9.720 3.515 8.521 1.00 0.00 C ATOM 1440 CE1 PHE A 79 10.813 4.371 6.077 1.00 0.00 C ATOM 1441 CE2 PHE A 79 11.087 3.833 8.430 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.637 4.259 7.209 1.00 0.00 C ATOM 0 H PHE A 79 7.472 1.732 5.012 1.00 0.00 H new ATOM 0 HA PHE A 79 7.443 1.089 7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.859 3.849 6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.067 3.370 8.459 1.00 0.00 H new ATOM 0 HD1 PHE A 79 8.812 4.170 5.298 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.303 3.192 9.463 1.00 0.00 H new ATOM 0 HE1 PHE A 79 11.232 4.694 5.135 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.717 3.749 9.303 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.688 4.499 7.141 1.00 0.00 H new ATOM 1452 N VAL A 80 4.880 1.292 7.803 1.00 0.00 N ATOM 1453 CA VAL A 80 3.436 1.113 7.778 1.00 0.00 C ATOM 1454 C VAL A 80 2.988 1.745 9.094 1.00 0.00 C ATOM 1455 O VAL A 80 3.480 1.325 10.135 1.00 0.00 O ATOM 1456 CB VAL A 80 3.072 -0.379 7.585 1.00 0.00 C ATOM 1457 CG1 VAL A 80 3.970 -1.372 8.341 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.624 -0.668 7.974 1.00 0.00 C ATOM 0 H VAL A 80 5.261 1.195 8.744 1.00 0.00 H new ATOM 0 HA VAL A 80 2.922 1.587 6.942 1.00 0.00 H new ATOM 0 HB VAL A 80 3.230 -0.537 6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.635 -2.390 8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.001 -1.258 8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.912 -1.173 9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.411 -1.726 7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.471 -0.413 9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.955 -0.071 7.354 1.00 0.00 H new ATOM 1468 N ASN A 81 2.099 2.745 9.081 1.00 0.00 N ATOM 1469 CA ASN A 81 1.617 3.446 10.286 1.00 0.00 C ATOM 1470 C ASN A 81 2.795 3.806 11.216 1.00 0.00 C ATOM 1471 O ASN A 81 2.782 3.501 12.410 1.00 0.00 O ATOM 1472 CB ASN A 81 0.521 2.652 11.028 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.660 2.276 10.150 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.675 1.057 9.646 1.00 0.00 O flip ATOM 1475 ND2 ASN A 81 -1.565 3.063 9.884 1.00 0.00 N flip ATOM 0 H ASN A 81 1.684 3.099 8.219 1.00 0.00 H new ATOM 0 HA ASN A 81 1.150 4.375 9.959 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.959 1.743 11.441 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.163 3.244 11.870 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.553 4.005 10.274 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.329 2.774 9.273 1.00 0.00 H new ATOM 1482 N ASN A 82 3.867 4.389 10.654 1.00 0.00 N ATOM 1483 CA ASN A 82 5.094 4.807 11.352 1.00 0.00 C ATOM 1484 C ASN A 82 5.775 3.672 12.149 1.00 0.00 C ATOM 1485 O ASN A 82 6.655 3.931 12.981 1.00 0.00 O ATOM 1486 CB ASN A 82 4.819 6.054 12.218 1.00 0.00 C ATOM 1487 CG ASN A 82 4.244 7.212 11.415 1.00 0.00 C ATOM 1488 OD1 ASN A 82 3.039 7.335 11.225 1.00 0.00 O ATOM 1489 ND2 ASN A 82 5.075 8.092 10.894 1.00 0.00 N ATOM 0 H ASN A 82 3.903 4.591 9.655 1.00 0.00 H new ATOM 0 HA ASN A 82 5.820 5.075 10.585 1.00 0.00 H new ATOM 0 HB2 ASN A 82 4.125 5.791 13.016 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.746 6.372 12.694 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.714 8.867 10.338 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.079 7.998 11.047 1.00 0.00 H new ATOM 1496 N THR A 83 5.405 2.424 11.880 1.00 0.00 N ATOM 1497 CA THR A 83 5.849 1.172 12.468 1.00 0.00 C ATOM 1498 C THR A 83 6.573 0.351 11.392 1.00 0.00 C ATOM 1499 O THR A 83 6.360 0.547 10.191 1.00 0.00 O ATOM 1500 CB THR A 83 4.614 0.459 13.059 1.00 0.00 C ATOM 1501 OG1 THR A 83 4.108 1.238 14.130 1.00 0.00 O ATOM 1502 CG2 THR A 83 4.913 -0.955 13.567 1.00 0.00 C ATOM 0 H THR A 83 4.704 2.250 11.159 1.00 0.00 H new ATOM 0 HA THR A 83 6.561 1.323 13.280 1.00 0.00 H new ATOM 0 HB THR A 83 3.885 0.358 12.255 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.657 2.031 13.773 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.002 -1.398 13.969 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.281 -1.567 12.744 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.669 -0.908 14.350 1.00 0.00 H new ATOM 1510 N ILE A 84 7.474 -0.533 11.823 1.00 0.00 N ATOM 1511 CA ILE A 84 8.268 -1.398 10.967 1.00 0.00 C ATOM 1512 C ILE A 84 8.013 -2.849 11.417 1.00 0.00 C ATOM 1513 O ILE A 84 8.430 -3.210 12.518 1.00 0.00 O ATOM 1514 CB ILE A 84 9.757 -0.990 11.049 1.00 0.00 C ATOM 1515 CG1 ILE A 84 9.938 0.538 10.873 1.00 0.00 C ATOM 1516 CG2 ILE A 84 10.538 -1.765 9.979 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.393 1.001 10.759 1.00 0.00 C ATOM 0 H ILE A 84 7.674 -0.667 12.814 1.00 0.00 H new ATOM 0 HA ILE A 84 7.986 -1.305 9.918 1.00 0.00 H new ATOM 0 HB ILE A 84 10.143 -1.239 12.037 1.00 0.00 H new ATOM 0 HG12 ILE A 84 9.400 0.853 9.979 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.475 1.045 11.720 1.00 0.00 H new ATOM 0 HG21 ILE A 84 11.591 -1.487 10.025 1.00 0.00 H new ATOM 0 HG22 ILE A 84 10.437 -2.835 10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.142 -1.523 8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.422 2.084 10.639 1.00 0.00 H new ATOM 0 HD12 ILE A 84 11.936 0.722 11.662 1.00 0.00 H new ATOM 0 HD13 ILE A 84 11.859 0.527 9.895 1.00 0.00 H new ATOM 1529 N PRO A 85 7.309 -3.686 10.634 1.00 0.00 N ATOM 1530 CA PRO A 85 7.034 -5.077 10.987 1.00 0.00 C ATOM 1531 C PRO A 85 8.223 -5.989 10.619 1.00 0.00 C ATOM 1532 O PRO A 85 9.081 -5.594 9.814 1.00 0.00 O ATOM 1533 CB PRO A 85 5.804 -5.429 10.142 1.00 0.00 C ATOM 1534 CG PRO A 85 6.046 -4.650 8.849 1.00 0.00 C ATOM 1535 CD PRO A 85 6.750 -3.379 9.328 1.00 0.00 C ATOM 0 HA PRO A 85 6.872 -5.213 12.056 1.00 0.00 H new ATOM 0 HB2 PRO A 85 5.732 -6.501 9.960 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.878 -5.125 10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.665 -5.213 8.150 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.112 -4.423 8.336 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.533 -3.083 8.630 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.049 -2.547 9.392 1.00 0.00 H new ATOM 1543 N PRO A 86 8.296 -7.219 11.158 1.00 0.00 N ATOM 1544 CA PRO A 86 9.375 -8.143 10.836 1.00 0.00 C ATOM 1545 C PRO A 86 9.172 -8.697 9.422 1.00 0.00 C ATOM 1546 O PRO A 86 8.046 -8.975 9.006 1.00 0.00 O ATOM 1547 CB PRO A 86 9.321 -9.223 11.918 1.00 0.00 C ATOM 1548 CG PRO A 86 7.844 -9.262 12.300 1.00 0.00 C ATOM 1549 CD PRO A 86 7.380 -7.815 12.121 1.00 0.00 C ATOM 0 HA PRO A 86 10.359 -7.674 10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.665 -10.187 11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.951 -8.970 12.771 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.284 -9.943 11.660 1.00 0.00 H new ATOM 0 HG3 PRO A 86 7.705 -9.602 13.326 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.353 -7.776 11.759 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.405 -7.277 13.069 1.00 0.00 H new ATOM 1557 N THR A 87 10.258 -8.901 8.673 1.00 0.00 N ATOM 1558 CA THR A 87 10.161 -9.405 7.303 1.00 0.00 C ATOM 1559 C THR A 87 9.675 -10.862 7.224 1.00 0.00 C ATOM 1560 O THR A 87 9.227 -11.302 6.162 1.00 0.00 O ATOM 1561 CB THR A 87 11.494 -9.199 6.563 1.00 0.00 C ATOM 1562 OG1 THR A 87 12.517 -9.993 7.130 1.00 0.00 O ATOM 1563 CG2 THR A 87 11.962 -7.739 6.573 1.00 0.00 C ATOM 0 H THR A 87 11.211 -8.725 8.991 1.00 0.00 H new ATOM 0 HA THR A 87 9.392 -8.820 6.799 1.00 0.00 H new ATOM 0 HB THR A 87 11.305 -9.497 5.532 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.354 -9.846 6.642 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.907 -7.656 6.036 1.00 0.00 H new ATOM 0 HG22 THR A 87 11.213 -7.113 6.088 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.099 -7.408 7.602 1.00 0.00 H new ATOM 1571 N SER A 88 9.784 -11.617 8.319 1.00 0.00 N ATOM 1572 CA SER A 88 9.381 -13.011 8.446 1.00 0.00 C ATOM 1573 C SER A 88 7.864 -13.187 8.497 1.00 0.00 C ATOM 1574 O SER A 88 7.358 -14.269 8.208 1.00 0.00 O ATOM 1575 CB SER A 88 9.965 -13.504 9.772 1.00 0.00 C ATOM 1576 OG SER A 88 9.614 -12.595 10.806 1.00 0.00 O ATOM 0 H SER A 88 10.177 -11.249 9.185 1.00 0.00 H new ATOM 0 HA SER A 88 9.738 -13.566 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.585 -14.499 10.002 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.049 -13.586 9.697 1.00 0.00 H new ATOM 0 HG SER A 88 9.985 -12.909 11.657 1.00 0.00 H new ATOM 1582 N ALA A 89 7.144 -12.134 8.888 1.00 0.00 N ATOM 1583 CA ALA A 89 5.702 -12.151 8.990 1.00 0.00 C ATOM 1584 C ALA A 89 5.077 -12.055 7.599 1.00 0.00 C ATOM 1585 O ALA A 89 5.772 -12.021 6.580 1.00 0.00 O ATOM 1586 CB ALA A 89 5.274 -11.026 9.928 1.00 0.00 C ATOM 0 H ALA A 89 7.561 -11.239 9.144 1.00 0.00 H new ATOM 0 HA ALA A 89 5.346 -13.090 9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.188 -11.021 10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.720 -11.182 10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.608 -10.070 9.526 1.00 0.00 H new ATOM 1592 N THR A 90 3.753 -11.971 7.550 1.00 0.00 N ATOM 1593 CA THR A 90 2.975 -11.900 6.327 1.00 0.00 C ATOM 1594 C THR A 90 2.140 -10.626 6.265 1.00 0.00 C ATOM 1595 O THR A 90 2.011 -9.879 7.246 1.00 0.00 O ATOM 1596 CB THR A 90 2.055 -13.134 6.311 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.232 -13.034 7.460 1.00 0.00 O ATOM 1598 CG2 THR A 90 2.820 -14.464 6.296 1.00 0.00 C ATOM 0 H THR A 90 3.176 -11.950 8.391 1.00 0.00 H new ATOM 0 HA THR A 90 3.640 -11.884 5.463 1.00 0.00 H new ATOM 0 HB THR A 90 1.471 -13.140 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.623 -13.801 7.494 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.111 -15.292 6.285 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.448 -14.513 5.406 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.446 -14.534 7.186 1.00 0.00 H new ATOM 1606 N MET A 91 1.549 -10.397 5.094 1.00 0.00 N ATOM 1607 CA MET A 91 0.675 -9.266 4.839 1.00 0.00 C ATOM 1608 C MET A 91 -0.542 -9.333 5.756 1.00 0.00 C ATOM 1609 O MET A 91 -1.004 -8.293 6.216 1.00 0.00 O ATOM 1610 CB MET A 91 0.208 -9.307 3.379 1.00 0.00 C ATOM 1611 CG MET A 91 1.254 -8.727 2.441 1.00 0.00 C ATOM 1612 SD MET A 91 1.818 -7.031 2.782 1.00 0.00 S ATOM 1613 CE MET A 91 0.244 -6.192 3.118 1.00 0.00 C ATOM 0 H MET A 91 1.670 -11.006 4.285 1.00 0.00 H new ATOM 0 HA MET A 91 1.220 -8.341 5.030 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.006 -10.337 3.094 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.722 -8.748 3.278 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.124 -9.383 2.456 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.853 -8.754 1.428 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.388 -5.113 3.062 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.496 -6.498 2.379 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.106 -6.461 4.115 1.00 0.00 H new ATOM 1623 N GLY A 92 -1.059 -10.534 6.024 1.00 0.00 N ATOM 1624 CA GLY A 92 -2.206 -10.716 6.889 1.00 0.00 C ATOM 1625 C GLY A 92 -1.863 -10.331 8.322 1.00 0.00 C ATOM 1626 O GLY A 92 -2.651 -9.628 8.941 1.00 0.00 O ATOM 0 H GLY A 92 -0.687 -11.404 5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.037 -10.108 6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.533 -11.755 6.854 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.682 -10.707 8.829 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.274 -10.391 10.195 1.00 0.00 C ATOM 1632 C GLN A 93 -0.215 -8.879 10.434 1.00 0.00 C ATOM 1633 O GLN A 93 -0.758 -8.390 11.426 1.00 0.00 O ATOM 1634 CB GLN A 93 1.062 -11.084 10.514 1.00 0.00 C ATOM 1635 CG GLN A 93 1.521 -10.816 11.958 1.00 0.00 C ATOM 1636 CD GLN A 93 2.717 -11.674 12.377 1.00 0.00 C ATOM 1637 OE1 GLN A 93 2.722 -12.893 12.204 1.00 0.00 O ATOM 1638 NE2 GLN A 93 3.766 -11.071 12.912 1.00 0.00 N ATOM 0 H GLN A 93 0.012 -11.237 8.302 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.028 -10.776 10.882 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.959 -12.158 10.360 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.826 -10.734 9.820 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.783 -9.763 12.060 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.690 -11.005 12.638 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.757 -10.061 13.053 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.584 -11.616 13.183 1.00 0.00 H new ATOM 1647 N LEU A 94 0.478 -8.126 9.568 1.00 0.00 N ATOM 1648 CA LEU A 94 0.547 -6.677 9.773 1.00 0.00 C ATOM 1649 C LEU A 94 -0.827 -6.050 9.572 1.00 0.00 C ATOM 1650 O LEU A 94 -1.166 -5.122 10.292 1.00 0.00 O ATOM 1651 CB LEU A 94 1.618 -5.975 8.921 1.00 0.00 C ATOM 1652 CG LEU A 94 1.362 -6.033 7.405 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.650 -4.771 6.902 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.670 -6.208 6.634 1.00 0.00 C ATOM 0 H LEU A 94 0.979 -8.479 8.752 1.00 0.00 H new ATOM 0 HA LEU A 94 0.863 -6.526 10.805 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.681 -4.931 9.227 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.587 -6.428 9.131 1.00 0.00 H new ATOM 0 HG LEU A 94 0.718 -6.894 7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.487 -4.849 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.310 -4.668 7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.266 -3.897 7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.460 -6.246 5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.332 -5.368 6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.153 -7.136 6.942 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.620 -6.533 8.611 1.00 0.00 N ATOM 1667 CA TYR A 95 -2.946 -5.993 8.359 1.00 0.00 C ATOM 1668 C TYR A 95 -3.826 -6.196 9.597 1.00 0.00 C ATOM 1669 O TYR A 95 -4.554 -5.291 9.992 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.529 -6.660 7.110 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.006 -6.415 6.904 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.458 -5.278 6.207 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -5.929 -7.350 7.404 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -6.836 -5.067 6.022 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.303 -7.154 7.213 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.763 -6.005 6.531 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.099 -5.818 6.353 1.00 0.00 O ATOM 0 H TYR A 95 -1.358 -7.302 7.995 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.897 -4.921 8.170 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.988 -6.301 6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.356 -7.734 7.172 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.746 -4.567 5.814 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.578 -8.222 7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.185 -4.192 5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.010 -7.880 7.587 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.591 -6.558 6.766 1.00 0.00 H new ATOM 1687 N GLU A 96 -3.733 -7.369 10.223 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.479 -7.745 11.410 1.00 0.00 C ATOM 1689 C GLU A 96 -4.082 -6.870 12.603 1.00 0.00 C ATOM 1690 O GLU A 96 -4.939 -6.515 13.410 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.210 -9.232 11.686 1.00 0.00 C ATOM 1692 CG GLU A 96 -5.006 -9.757 12.881 1.00 0.00 C ATOM 1693 CD GLU A 96 -4.709 -11.220 13.193 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -3.549 -11.679 13.080 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -5.636 -11.951 13.611 1.00 0.00 O ATOM 0 H GLU A 96 -3.109 -8.108 9.899 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.546 -7.590 11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.463 -9.815 10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.146 -9.378 11.870 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.779 -9.150 13.758 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.071 -9.642 12.681 1.00 0.00 H new ATOM 1702 N ASP A 97 -2.801 -6.518 12.728 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.285 -5.684 13.814 1.00 0.00 C ATOM 1704 C ASP A 97 -2.567 -4.191 13.592 1.00 0.00 C ATOM 1705 O ASP A 97 -2.984 -3.484 14.511 1.00 0.00 O ATOM 1706 CB ASP A 97 -0.774 -5.917 13.927 1.00 0.00 C ATOM 1707 CG ASP A 97 -0.118 -4.980 14.939 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -0.610 -4.860 16.083 1.00 0.00 O ATOM 1709 OD2 ASP A 97 0.944 -4.405 14.608 1.00 0.00 O ATOM 0 H ASP A 97 -2.082 -6.809 12.066 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.794 -5.968 14.735 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.589 -6.951 14.219 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.312 -5.774 12.950 1.00 0.00 H new ATOM 1714 N ASN A 98 -2.439 -3.715 12.354 1.00 0.00 N ATOM 1715 CA ASN A 98 -2.639 -2.317 11.959 1.00 0.00 C ATOM 1716 C ASN A 98 -4.098 -2.002 11.613 1.00 0.00 C ATOM 1717 O ASN A 98 -4.403 -0.862 11.261 1.00 0.00 O ATOM 1718 CB ASN A 98 -1.728 -1.966 10.769 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.245 -1.918 11.127 1.00 0.00 C ATOM 1720 OD1 ASN A 98 0.583 -2.551 10.483 1.00 0.00 O ATOM 1721 ND2 ASN A 98 0.153 -1.120 12.104 1.00 0.00 N ATOM 0 H ASN A 98 -2.184 -4.313 11.568 1.00 0.00 H new ATOM 0 HA ASN A 98 -2.375 -1.703 12.820 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.878 -2.701 9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.027 -0.998 10.366 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.146 -1.033 12.319 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.533 -0.591 12.642 1.00 0.00 H new ATOM 1728 N HIS A 99 -4.985 -2.989 11.723 1.00 0.00 N ATOM 1729 CA HIS A 99 -6.415 -2.933 11.465 1.00 0.00 C ATOM 1730 C HIS A 99 -7.054 -1.633 11.982 1.00 0.00 C ATOM 1731 O HIS A 99 -6.820 -1.226 13.120 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.050 -4.174 12.110 1.00 0.00 C ATOM 1733 CG HIS A 99 -7.053 -4.193 13.626 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -5.998 -3.908 14.469 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -8.121 -4.521 14.415 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -6.426 -4.053 15.730 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -7.715 -4.429 15.751 1.00 0.00 N ATOM 0 H HIS A 99 -4.695 -3.921 12.019 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.593 -2.932 10.390 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.079 -4.257 11.761 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.521 -5.058 11.754 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -5.058 -3.635 14.182 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.104 -4.802 14.068 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -5.819 -3.890 16.608 1.00 0.00 H new ATOM 1745 N GLU A 100 -7.821 -0.951 11.132 1.00 0.00 N ATOM 1746 CA GLU A 100 -8.512 0.296 11.445 1.00 0.00 C ATOM 1747 C GLU A 100 -10.013 0.149 11.136 1.00 0.00 C ATOM 1748 O GLU A 100 -10.443 -0.878 10.590 1.00 0.00 O ATOM 1749 CB GLU A 100 -7.822 1.448 10.696 1.00 0.00 C ATOM 1750 CG GLU A 100 -7.669 2.689 11.585 1.00 0.00 C ATOM 1751 CD GLU A 100 -7.177 3.892 10.783 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -6.134 3.770 10.095 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -7.827 4.969 10.831 1.00 0.00 O ATOM 0 H GLU A 100 -7.983 -1.263 10.175 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.450 0.532 12.507 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.840 1.123 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.401 1.704 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.626 2.926 12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.968 2.476 12.392 1.00 0.00 H new ATOM 1760 N GLU A 101 -10.832 1.161 11.431 1.00 0.00 N ATOM 1761 CA GLU A 101 -12.277 1.122 11.194 1.00 0.00 C ATOM 1762 C GLU A 101 -12.658 1.297 9.715 1.00 0.00 C ATOM 1763 O GLU A 101 -13.808 1.046 9.352 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.019 2.111 12.107 1.00 0.00 C ATOM 1765 CG GLU A 101 -12.816 3.601 11.819 1.00 0.00 C ATOM 1766 CD GLU A 101 -13.688 4.427 12.761 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -13.226 4.718 13.889 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -14.846 4.745 12.395 1.00 0.00 O ATOM 0 H GLU A 101 -10.509 2.036 11.844 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.605 0.117 11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.086 1.895 12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.713 1.919 13.136 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.767 3.868 11.950 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.073 3.820 10.783 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.692 1.592 8.844 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.906 1.797 7.410 1.00 0.00 C ATOM 1777 C ASP A 102 -11.467 0.595 6.558 1.00 0.00 C ATOM 1778 O ASP A 102 -11.832 0.528 5.390 1.00 0.00 O ATOM 1779 CB ASP A 102 -11.200 3.084 6.955 1.00 0.00 C ATOM 1780 CG ASP A 102 -11.808 4.357 7.535 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -13.050 4.487 7.486 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -11.014 5.160 8.089 1.00 0.00 O ATOM 0 H ASP A 102 -10.716 1.698 9.122 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.980 1.899 7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.149 3.031 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.232 3.140 5.867 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.759 -0.396 7.128 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.262 -1.613 6.455 1.00 0.00 C ATOM 1789 C TYR A 103 -9.298 -1.337 5.273 1.00 0.00 C ATOM 1790 O TYR A 103 -9.445 -1.930 4.197 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.419 -2.537 6.005 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.363 -3.097 7.050 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -11.937 -4.142 7.890 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.710 -2.688 7.073 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -12.853 -4.791 8.737 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.634 -3.335 7.914 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.209 -4.396 8.748 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.089 -5.033 9.566 1.00 0.00 O ATOM 0 H TYR A 103 -10.505 -0.371 8.116 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.674 -2.128 7.215 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.019 -1.984 5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.978 -3.381 5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.901 -4.447 7.884 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.035 -1.874 6.442 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -12.519 -5.592 9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.668 -3.022 7.923 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.981 -4.642 9.455 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.284 -0.489 5.469 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.289 -0.127 4.451 1.00 0.00 C ATOM 1810 C PHE A 104 -5.881 -0.146 5.029 1.00 0.00 C ATOM 1811 O PHE A 104 -5.752 0.050 6.236 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.594 1.268 3.892 1.00 0.00 C ATOM 1813 CG PHE A 104 -7.110 2.416 4.763 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -7.809 2.720 5.939 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -5.931 3.121 4.455 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -7.358 3.731 6.803 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -5.468 4.128 5.321 1.00 0.00 C ATOM 1818 CZ PHE A 104 -6.180 4.431 6.493 1.00 0.00 C ATOM 0 H PHE A 104 -8.127 -0.023 6.362 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.344 -0.864 3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.137 1.359 2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.671 1.363 3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.706 2.170 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.382 2.889 3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.912 3.969 7.699 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.564 4.669 5.084 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.821 5.203 7.157 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.835 -0.367 4.219 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.465 -0.369 4.736 1.00 0.00 C ATOM 1830 C LEU A 105 -2.611 0.656 3.991 1.00 0.00 C ATOM 1831 O LEU A 105 -2.645 0.767 2.759 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.885 -1.800 4.740 1.00 0.00 C ATOM 1833 CG LEU A 105 -2.554 -2.360 6.142 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.287 -1.712 6.702 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -3.685 -2.226 7.172 1.00 0.00 C ATOM 0 H LEU A 105 -4.912 -0.544 3.217 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.464 -0.052 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.598 -2.468 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.978 -1.811 4.136 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.405 -3.428 5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.074 -2.122 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.449 -1.917 6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.433 -0.635 6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.361 -2.646 8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.933 -1.173 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.565 -2.764 6.819 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.828 1.416 4.751 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.935 2.458 4.277 1.00 0.00 C ATOM 1849 C TYR A 106 0.514 1.983 4.361 1.00 0.00 C ATOM 1850 O TYR A 106 0.950 1.517 5.413 1.00 0.00 O ATOM 1851 CB TYR A 106 -1.142 3.696 5.155 1.00 0.00 C ATOM 1852 CG TYR A 106 -0.099 4.764 4.924 1.00 0.00 C ATOM 1853 CD1 TYR A 106 -0.196 5.603 3.805 1.00 0.00 C ATOM 1854 CD2 TYR A 106 0.987 4.885 5.809 1.00 0.00 C ATOM 1855 CE1 TYR A 106 0.782 6.586 3.581 1.00 0.00 C ATOM 1856 CE2 TYR A 106 1.969 5.865 5.598 1.00 0.00 C ATOM 1857 CZ TYR A 106 1.853 6.730 4.490 1.00 0.00 C ATOM 1858 OH TYR A 106 2.753 7.728 4.292 1.00 0.00 O ATOM 0 H TYR A 106 -1.801 1.313 5.765 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.152 2.698 3.236 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.130 4.112 4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.123 3.398 6.203 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.021 5.494 3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.066 4.220 6.656 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.715 7.230 2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.804 5.956 6.277 1.00 0.00 H new ATOM 0 HH TYR A 106 3.432 7.702 4.999 1.00 0.00 H new ATOM 1868 N VAL A 107 1.286 2.139 3.281 1.00 0.00 N ATOM 1869 CA VAL A 107 2.688 1.736 3.231 1.00 0.00 C ATOM 1870 C VAL A 107 3.502 2.865 2.606 1.00 0.00 C ATOM 1871 O VAL A 107 3.080 3.495 1.627 1.00 0.00 O ATOM 1872 CB VAL A 107 2.842 0.409 2.456 1.00 0.00 C ATOM 1873 CG1 VAL A 107 4.284 -0.123 2.493 1.00 0.00 C ATOM 1874 CG2 VAL A 107 1.927 -0.668 3.047 1.00 0.00 C ATOM 0 H VAL A 107 0.949 2.552 2.412 1.00 0.00 H new ATOM 0 HA VAL A 107 3.064 1.556 4.238 1.00 0.00 H new ATOM 0 HB VAL A 107 2.569 0.624 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.342 -1.057 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.954 0.610 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.580 -0.300 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.049 -1.596 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.190 -0.836 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.890 -0.340 2.983 1.00 0.00 H new ATOM 1884 N ALA A 108 4.675 3.121 3.179 1.00 0.00 N ATOM 1885 CA ALA A 108 5.607 4.139 2.738 1.00 0.00 C ATOM 1886 C ALA A 108 7.002 3.528 2.628 1.00 0.00 C ATOM 1887 O ALA A 108 7.295 2.558 3.331 1.00 0.00 O ATOM 1888 CB ALA A 108 5.586 5.329 3.697 1.00 0.00 C ATOM 0 H ALA A 108 5.009 2.603 3.992 1.00 0.00 H new ATOM 0 HA ALA A 108 5.314 4.509 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.291 6.086 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.583 5.754 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.869 4.997 4.696 1.00 0.00 H new ATOM 1894 N TYR A 109 7.858 4.064 1.756 1.00 0.00 N ATOM 1895 CA TYR A 109 9.227 3.568 1.575 1.00 0.00 C ATOM 1896 C TYR A 109 10.227 4.712 1.488 1.00 0.00 C ATOM 1897 O TYR A 109 9.869 5.814 1.062 1.00 0.00 O ATOM 1898 CB TYR A 109 9.341 2.625 0.376 1.00 0.00 C ATOM 1899 CG TYR A 109 9.289 3.257 -1.007 1.00 0.00 C ATOM 1900 CD1 TYR A 109 8.090 3.808 -1.500 1.00 0.00 C ATOM 1901 CD2 TYR A 109 10.404 3.165 -1.862 1.00 0.00 C ATOM 1902 CE1 TYR A 109 7.996 4.261 -2.828 1.00 0.00 C ATOM 1903 CE2 TYR A 109 10.300 3.565 -3.203 1.00 0.00 C ATOM 1904 CZ TYR A 109 9.103 4.121 -3.693 1.00 0.00 C ATOM 1905 OH TYR A 109 9.016 4.448 -5.010 1.00 0.00 O ATOM 0 H TYR A 109 7.624 4.854 1.155 1.00 0.00 H new ATOM 0 HA TYR A 109 9.476 2.984 2.461 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.280 2.078 0.463 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.537 1.892 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.231 3.884 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.342 2.785 -1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.082 4.713 -3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.145 3.445 -3.865 1.00 0.00 H new ATOM 0 HH TYR A 109 9.879 4.285 -5.445 1.00 0.00 H new ATOM 1915 N SER A 110 11.469 4.450 1.901 1.00 0.00 N ATOM 1916 CA SER A 110 12.533 5.434 1.899 1.00 0.00 C ATOM 1917 C SER A 110 13.910 4.798 1.725 1.00 0.00 C ATOM 1918 O SER A 110 14.097 3.595 1.910 1.00 0.00 O ATOM 1919 CB SER A 110 12.500 6.181 3.235 1.00 0.00 C ATOM 1920 OG SER A 110 13.275 7.362 3.187 1.00 0.00 O ATOM 0 H SER A 110 11.759 3.536 2.249 1.00 0.00 H new ATOM 0 HA SER A 110 12.371 6.107 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.470 6.431 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.874 5.531 4.026 1.00 0.00 H new ATOM 0 HG SER A 110 13.815 7.432 4.002 1.00 0.00 H new ATOM 1926 N ASP A 111 14.856 5.654 1.340 1.00 0.00 N ATOM 1927 CA ASP A 111 16.275 5.362 1.130 1.00 0.00 C ATOM 1928 C ASP A 111 17.066 5.903 2.349 1.00 0.00 C ATOM 1929 O ASP A 111 18.286 5.752 2.444 1.00 0.00 O ATOM 1930 CB ASP A 111 16.734 6.005 -0.191 1.00 0.00 C ATOM 1931 CG ASP A 111 18.017 5.408 -0.786 1.00 0.00 C ATOM 1932 OD1 ASP A 111 17.887 4.428 -1.544 1.00 0.00 O ATOM 1933 OD2 ASP A 111 19.126 5.961 -0.574 1.00 0.00 O ATOM 0 H ASP A 111 14.638 6.633 1.154 1.00 0.00 H new ATOM 0 HA ASP A 111 16.454 4.290 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.932 5.910 -0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.889 7.071 -0.025 1.00 0.00 H new ATOM 1938 N GLU A 112 16.372 6.572 3.284 1.00 0.00 N ATOM 1939 CA GLU A 112 16.865 7.184 4.513 1.00 0.00 C ATOM 1940 C GLU A 112 15.898 6.849 5.650 1.00 0.00 C ATOM 1941 O GLU A 112 14.706 6.638 5.406 1.00 0.00 O ATOM 1942 CB GLU A 112 16.913 8.714 4.339 1.00 0.00 C ATOM 1943 CG GLU A 112 17.813 9.393 5.382 1.00 0.00 C ATOM 1944 CD GLU A 112 17.478 10.843 5.736 1.00 0.00 C ATOM 1945 OE1 GLU A 112 16.718 11.530 5.016 1.00 0.00 O ATOM 1946 OE2 GLU A 112 17.943 11.297 6.813 1.00 0.00 O ATOM 0 H GLU A 112 15.366 6.706 3.184 1.00 0.00 H new ATOM 0 HA GLU A 112 17.863 6.807 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.276 8.952 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.903 9.118 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.779 8.802 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 112 18.840 9.360 5.019 1.00 0.00 H new ATOM 1953 N SER A 113 16.396 6.777 6.881 1.00 0.00 N ATOM 1954 CA SER A 113 15.577 6.504 8.055 1.00 0.00 C ATOM 1955 C SER A 113 14.758 7.780 8.285 1.00 0.00 C ATOM 1956 O SER A 113 15.330 8.815 8.630 1.00 0.00 O ATOM 1957 CB SER A 113 16.468 6.118 9.248 1.00 0.00 C ATOM 1958 OG SER A 113 17.532 7.036 9.454 1.00 0.00 O ATOM 0 H SER A 113 17.385 6.907 7.092 1.00 0.00 H new ATOM 0 HA SER A 113 14.906 5.655 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 113 15.858 6.066 10.150 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.879 5.122 9.083 1.00 0.00 H new ATOM 0 HG SER A 113 17.221 7.946 9.265 1.00 0.00 H new ATOM 1964 N VAL A 114 13.444 7.759 8.063 1.00 0.00 N ATOM 1965 CA VAL A 114 12.588 8.917 8.227 1.00 0.00 C ATOM 1966 C VAL A 114 11.417 8.620 9.161 1.00 0.00 C ATOM 1967 O VAL A 114 10.973 7.472 9.291 1.00 0.00 O ATOM 1968 CB VAL A 114 12.145 9.407 6.840 1.00 0.00 C ATOM 1969 CG1 VAL A 114 13.310 10.065 6.081 1.00 0.00 C ATOM 1970 CG2 VAL A 114 11.518 8.310 5.968 1.00 0.00 C ATOM 0 H VAL A 114 12.945 6.923 7.760 1.00 0.00 H new ATOM 0 HA VAL A 114 13.142 9.722 8.710 1.00 0.00 H new ATOM 0 HB VAL A 114 11.367 10.146 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.964 10.401 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.678 10.919 6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 114 14.115 9.341 5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.230 8.731 5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 114 12.242 7.510 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.636 7.909 6.467 1.00 0.00 H new ATOM 1980 N TYR A 115 10.954 9.691 9.808 1.00 0.00 N ATOM 1981 CA TYR A 115 9.861 9.736 10.761 1.00 0.00 C ATOM 1982 C TYR A 115 8.565 9.220 10.168 1.00 0.00 C ATOM 1983 O TYR A 115 7.771 8.630 10.931 1.00 0.00 O ATOM 1984 CB TYR A 115 9.726 11.150 11.353 1.00 0.00 C ATOM 1985 CG TYR A 115 9.077 12.244 10.513 1.00 0.00 C ATOM 1986 CD1 TYR A 115 9.633 12.663 9.287 1.00 0.00 C ATOM 1987 CD2 TYR A 115 7.940 12.911 11.009 1.00 0.00 C ATOM 1988 CE1 TYR A 115 9.041 13.710 8.553 1.00 0.00 C ATOM 1989 CE2 TYR A 115 7.345 13.956 10.283 1.00 0.00 C ATOM 1990 CZ TYR A 115 7.889 14.362 9.047 1.00 0.00 C ATOM 1991 OH TYR A 115 7.308 15.368 8.333 1.00 0.00 O ATOM 0 H TYR A 115 11.368 10.612 9.664 1.00 0.00 H new ATOM 0 HA TYR A 115 10.095 9.058 11.582 1.00 0.00 H new ATOM 0 HB2 TYR A 115 9.158 11.066 12.280 1.00 0.00 H new ATOM 0 HB3 TYR A 115 10.726 11.491 11.622 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.520 12.178 8.907 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.520 12.615 11.959 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.469 14.015 7.610 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.468 14.450 10.673 1.00 0.00 H new ATOM 0 HH TYR A 115 6.526 15.704 8.818 1.00 0.00 H new TER 2001 TYR A 115 ATOM 2002 N GLY B 722 -21.100 10.859 -4.964 1.00 0.00 N ATOM 2003 CA GLY B 722 -22.456 10.926 -4.403 1.00 0.00 C ATOM 2004 C GLY B 722 -23.005 9.522 -4.269 1.00 0.00 C ATOM 2005 O GLY B 722 -22.950 8.944 -3.183 1.00 0.00 O ATOM 0 HA2 GLY B 722 -22.437 11.417 -3.430 1.00 0.00 H new ATOM 0 HA3 GLY B 722 -23.101 11.522 -5.048 1.00 0.00 H new ATOM 2009 N ALA B 723 -23.541 8.987 -5.363 1.00 0.00 N ATOM 2010 CA ALA B 723 -24.108 7.658 -5.503 1.00 0.00 C ATOM 2011 C ALA B 723 -23.458 7.044 -6.738 1.00 0.00 C ATOM 2012 O ALA B 723 -23.066 7.774 -7.649 1.00 0.00 O ATOM 2013 CB ALA B 723 -25.620 7.763 -5.710 1.00 0.00 C ATOM 0 H ALA B 723 -23.592 9.513 -6.235 1.00 0.00 H new ATOM 0 HA ALA B 723 -23.929 7.050 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA B 723 -26.043 6.764 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA B 723 -26.071 8.260 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA B 723 -25.825 8.340 -6.612 1.00 0.00 H new ATOM 2019 N MET B 724 -23.347 5.722 -6.800 1.00 0.00 N ATOM 2020 CA MET B 724 -22.750 5.030 -7.934 1.00 0.00 C ATOM 2021 C MET B 724 -23.762 4.041 -8.503 1.00 0.00 C ATOM 2022 O MET B 724 -24.932 4.025 -8.109 1.00 0.00 O ATOM 2023 CB MET B 724 -21.396 4.415 -7.538 1.00 0.00 C ATOM 2024 CG MET B 724 -21.486 3.371 -6.422 1.00 0.00 C ATOM 2025 SD MET B 724 -19.903 2.558 -6.114 1.00 0.00 S ATOM 2026 CE MET B 724 -20.321 1.603 -4.636 1.00 0.00 C ATOM 0 H MET B 724 -23.670 5.098 -6.061 1.00 0.00 H new ATOM 0 HA MET B 724 -22.515 5.726 -8.739 1.00 0.00 H new ATOM 0 HB2 MET B 724 -20.948 3.953 -8.418 1.00 0.00 H new ATOM 0 HB3 MET B 724 -20.725 5.213 -7.221 1.00 0.00 H new ATOM 0 HG2 MET B 724 -21.830 3.851 -5.506 1.00 0.00 H new ATOM 0 HG3 MET B 724 -22.231 2.621 -6.688 1.00 0.00 H new ATOM 0 HE1 MET B 724 -19.436 1.497 -4.009 1.00 0.00 H new ATOM 0 HE2 MET B 724 -21.101 2.120 -4.078 1.00 0.00 H new ATOM 0 HE3 MET B 724 -20.678 0.616 -4.930 1.00 0.00 H new ATOM 2036 N GLY B 725 -23.331 3.237 -9.467 1.00 0.00 N ATOM 2037 CA GLY B 725 -24.148 2.230 -10.116 1.00 0.00 C ATOM 2038 C GLY B 725 -23.321 0.974 -10.338 1.00 0.00 C ATOM 2039 O GLY B 725 -23.355 0.413 -11.433 1.00 0.00 O ATOM 0 H GLY B 725 -22.377 3.272 -9.826 1.00 0.00 H new ATOM 0 HA2 GLY B 725 -25.019 2.001 -9.502 1.00 0.00 H new ATOM 0 HA3 GLY B 725 -24.520 2.607 -11.069 1.00 0.00 H new ATOM 2043 N SER B 726 -22.521 0.609 -9.336 1.00 0.00 N ATOM 2044 CA SER B 726 -21.662 -0.557 -9.340 1.00 0.00 C ATOM 2045 C SER B 726 -21.700 -1.195 -7.948 1.00 0.00 C ATOM 2046 O SER B 726 -21.940 -0.515 -6.940 1.00 0.00 O ATOM 2047 CB SER B 726 -20.226 -0.161 -9.709 1.00 0.00 C ATOM 2048 OG SER B 726 -20.144 0.479 -10.969 1.00 0.00 O ATOM 0 H SER B 726 -22.457 1.144 -8.470 1.00 0.00 H new ATOM 0 HA SER B 726 -22.014 -1.273 -10.083 1.00 0.00 H new ATOM 0 HB2 SER B 726 -19.828 0.503 -8.942 1.00 0.00 H new ATOM 0 HB3 SER B 726 -19.598 -1.052 -9.717 1.00 0.00 H new ATOM 0 HG SER B 726 -19.211 0.712 -11.157 1.00 0.00 H new ATOM 2054 N ALA B 727 -21.455 -2.502 -7.907 1.00 0.00 N ATOM 2055 CA ALA B 727 -21.401 -3.363 -6.733 1.00 0.00 C ATOM 2056 C ALA B 727 -20.067 -4.137 -6.692 1.00 0.00 C ATOM 2057 O ALA B 727 -19.833 -4.917 -5.764 1.00 0.00 O ATOM 2058 CB ALA B 727 -22.612 -4.306 -6.749 1.00 0.00 C ATOM 0 H ALA B 727 -21.275 -3.026 -8.763 1.00 0.00 H new ATOM 0 HA ALA B 727 -21.445 -2.760 -5.826 1.00 0.00 H new ATOM 0 HB1 ALA B 727 -22.580 -4.954 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA B 727 -23.530 -3.719 -6.732 1.00 0.00 H new ATOM 0 HB3 ALA B 727 -22.587 -4.915 -7.653 1.00 0.00 H new ATOM 2064 N SER B 728 -19.223 -3.964 -7.708 1.00 0.00 N ATOM 2065 CA SER B 728 -17.911 -4.554 -7.931 1.00 0.00 C ATOM 2066 C SER B 728 -16.861 -4.019 -6.948 1.00 0.00 C ATOM 2067 O SER B 728 -17.178 -3.314 -5.982 1.00 0.00 O ATOM 2068 CB SER B 728 -17.520 -4.181 -9.377 1.00 0.00 C ATOM 2069 OG SER B 728 -17.810 -2.815 -9.613 1.00 0.00 O ATOM 0 H SER B 728 -19.472 -3.339 -8.475 1.00 0.00 H new ATOM 0 HA SER B 728 -17.950 -5.632 -7.776 1.00 0.00 H new ATOM 0 HB2 SER B 728 -16.459 -4.370 -9.537 1.00 0.00 H new ATOM 0 HB3 SER B 728 -18.065 -4.806 -10.084 1.00 0.00 H new ATOM 0 HG SER B 728 -17.559 -2.581 -10.531 1.00 0.00 H new ATOM 2075 N SER B 729 -15.619 -4.472 -7.118 1.00 0.00 N ATOM 2076 CA SER B 729 -14.495 -4.024 -6.315 1.00 0.00 C ATOM 2077 C SER B 729 -14.150 -2.614 -6.819 1.00 0.00 C ATOM 2078 O SER B 729 -14.481 -2.252 -7.956 1.00 0.00 O ATOM 2079 CB SER B 729 -13.303 -4.947 -6.583 1.00 0.00 C ATOM 2080 OG SER B 729 -12.416 -5.029 -5.492 1.00 0.00 O ATOM 0 H SER B 729 -15.369 -5.165 -7.823 1.00 0.00 H new ATOM 0 HA SER B 729 -14.726 -4.030 -5.250 1.00 0.00 H new ATOM 0 HB2 SER B 729 -13.670 -5.945 -6.822 1.00 0.00 H new ATOM 0 HB3 SER B 729 -12.762 -4.588 -7.458 1.00 0.00 H new ATOM 0 HG SER B 729 -12.104 -5.953 -5.393 1.00 0.00 H new ATOM 2086 N GLU B 730 -13.514 -1.795 -5.988 1.00 0.00 N ATOM 2087 CA GLU B 730 -13.124 -0.462 -6.419 1.00 0.00 C ATOM 2088 C GLU B 730 -11.917 -0.614 -7.358 1.00 0.00 C ATOM 2089 O GLU B 730 -11.306 -1.686 -7.441 1.00 0.00 O ATOM 2090 CB GLU B 730 -12.845 0.426 -5.194 1.00 0.00 C ATOM 2091 CG GLU B 730 -12.650 1.909 -5.536 1.00 0.00 C ATOM 2092 CD GLU B 730 -13.772 2.445 -6.421 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -13.655 2.375 -7.664 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -14.801 2.917 -5.884 1.00 0.00 O ATOM 0 H GLU B 730 -13.262 -2.028 -5.027 1.00 0.00 H new ATOM 0 HA GLU B 730 -13.921 0.038 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -13.673 0.331 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -11.953 0.059 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -12.606 2.490 -4.615 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -11.694 2.041 -6.043 1.00 0.00 H new ATOM 2101 N ASP B 731 -11.588 0.422 -8.123 1.00 0.00 N ATOM 2102 CA ASP B 731 -10.464 0.369 -9.044 1.00 0.00 C ATOM 2103 C ASP B 731 -9.163 0.534 -8.266 1.00 0.00 C ATOM 2104 O ASP B 731 -8.790 1.641 -7.869 1.00 0.00 O ATOM 2105 CB ASP B 731 -10.647 1.422 -10.139 1.00 0.00 C ATOM 2106 CG ASP B 731 -11.303 0.750 -11.330 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -12.547 0.651 -11.370 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -10.562 0.211 -12.185 1.00 0.00 O ATOM 0 H ASP B 731 -12.088 1.311 -8.121 1.00 0.00 H new ATOM 0 HA ASP B 731 -10.418 -0.600 -9.542 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -11.264 2.244 -9.778 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -9.685 1.847 -10.424 1.00 0.00 H new ATOM 2113 N TYR B 732 -8.454 -0.582 -8.113 1.00 0.00 N ATOM 2114 CA TYR B 732 -7.190 -0.759 -7.414 1.00 0.00 C ATOM 2115 C TYR B 732 -6.339 -1.719 -8.245 1.00 0.00 C ATOM 2116 O TYR B 732 -6.888 -2.641 -8.863 1.00 0.00 O ATOM 2117 CB TYR B 732 -7.471 -1.364 -6.028 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.607 -0.356 -4.904 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -8.700 0.528 -4.837 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -6.621 -0.313 -3.905 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.782 1.472 -3.797 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -6.694 0.620 -2.860 1.00 0.00 C ATOM 2123 CZ TYR B 732 -7.779 1.518 -2.802 1.00 0.00 C ATOM 2124 OH TYR B 732 -7.843 2.430 -1.800 1.00 0.00 O ATOM 0 H TYR B 732 -8.782 -1.462 -8.512 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.669 0.189 -7.284 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -8.389 -1.950 -6.083 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -6.666 -2.056 -5.780 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -9.477 0.482 -5.585 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -5.795 -1.008 -3.942 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -9.612 2.162 -3.759 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -5.923 0.650 -2.104 1.00 0.00 H new ATOM 0 HH TYR B 732 -8.781 2.627 -1.596 1.00 0.00 H new ATOM 2134 N ILE B 733 -5.012 -1.554 -8.218 1.00 0.00 N ATOM 2135 CA ILE B 733 -4.116 -2.399 -8.994 1.00 0.00 C ATOM 2136 C ILE B 733 -3.782 -3.680 -8.225 1.00 0.00 C ATOM 2137 O ILE B 733 -3.043 -3.641 -7.240 1.00 0.00 O ATOM 2138 CB ILE B 733 -2.854 -1.614 -9.417 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -3.224 -0.305 -10.154 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -1.974 -2.495 -10.325 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -2.008 0.569 -10.463 1.00 0.00 C ATOM 0 H ILE B 733 -4.540 -0.840 -7.664 1.00 0.00 H new ATOM 0 HA ILE B 733 -4.621 -2.702 -9.911 1.00 0.00 H new ATOM 0 HB ILE B 733 -2.302 -1.348 -8.516 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -3.735 -0.550 -11.085 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -3.927 0.263 -9.545 1.00 0.00 H new ATOM 0 HG21 ILE B 733 -1.085 -1.938 -10.621 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -1.676 -3.393 -9.783 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -2.538 -2.778 -11.214 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -2.331 1.472 -10.980 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -1.510 0.842 -9.533 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -1.314 0.017 -11.097 1.00 0.00 H new ATOM 2153 N ILE B 734 -4.306 -4.829 -8.653 1.00 0.00 N ATOM 2154 CA ILE B 734 -4.006 -6.092 -7.982 1.00 0.00 C ATOM 2155 C ILE B 734 -2.597 -6.474 -8.429 1.00 0.00 C ATOM 2156 O ILE B 734 -2.372 -6.684 -9.625 1.00 0.00 O ATOM 2157 CB ILE B 734 -5.012 -7.214 -8.335 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -6.453 -6.807 -7.975 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.638 -8.520 -7.600 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -7.505 -7.800 -8.486 1.00 0.00 C ATOM 0 H ILE B 734 -4.934 -4.911 -9.453 1.00 0.00 H new ATOM 0 HA ILE B 734 -4.081 -5.970 -6.901 1.00 0.00 H new ATOM 0 HB ILE B 734 -4.962 -7.379 -9.411 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -6.540 -6.720 -6.892 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -6.660 -5.821 -8.391 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -5.354 -9.300 -7.858 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -3.638 -8.832 -7.899 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -4.658 -8.350 -6.523 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -8.499 -7.456 -8.200 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -7.443 -7.869 -9.572 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -7.321 -8.782 -8.050 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.648 -6.505 -7.496 1.00 0.00 N ATOM 2173 CA ILE B 735 -0.266 -6.879 -7.745 1.00 0.00 C ATOM 2174 C ILE B 735 -0.032 -8.093 -6.864 1.00 0.00 C ATOM 2175 O ILE B 735 -0.343 -8.101 -5.674 1.00 0.00 O ATOM 2176 CB ILE B 735 0.721 -5.710 -7.547 1.00 0.00 C ATOM 2177 CG1 ILE B 735 2.144 -6.067 -8.047 1.00 0.00 C ATOM 2178 CG2 ILE B 735 0.742 -5.123 -6.127 1.00 0.00 C ATOM 2179 CD1 ILE B 735 3.071 -6.821 -7.080 1.00 0.00 C ATOM 0 H ILE B 735 -1.828 -6.264 -6.522 1.00 0.00 H new ATOM 0 HA ILE B 735 -0.080 -7.134 -8.788 1.00 0.00 H new ATOM 0 HB ILE B 735 0.334 -4.907 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE B 735 2.041 -6.668 -8.951 1.00 0.00 H new ATOM 0 HG13 ILE B 735 2.641 -5.141 -8.335 1.00 0.00 H new ATOM 0 HG21 ILE B 735 1.464 -4.307 -6.081 1.00 0.00 H new ATOM 0 HG22 ILE B 735 -0.249 -4.745 -5.875 1.00 0.00 H new ATOM 0 HG23 ILE B 735 1.026 -5.899 -5.417 1.00 0.00 H new ATOM 0 HD11 ILE B 735 4.031 -7.003 -7.564 1.00 0.00 H new ATOM 0 HD12 ILE B 735 3.225 -6.222 -6.182 1.00 0.00 H new ATOM 0 HD13 ILE B 735 2.616 -7.773 -6.808 1.00 0.00 H new ATOM 2191 N LEU B 736 0.468 -9.147 -7.481 1.00 0.00 N ATOM 2192 CA LEU B 736 0.758 -10.412 -6.850 1.00 0.00 C ATOM 2193 C LEU B 736 2.007 -10.969 -7.527 1.00 0.00 C ATOM 2194 O LEU B 736 2.345 -10.537 -8.640 1.00 0.00 O ATOM 2195 CB LEU B 736 -0.478 -11.342 -6.939 1.00 0.00 C ATOM 2196 CG LEU B 736 -1.362 -11.250 -8.206 1.00 0.00 C ATOM 2197 CD1 LEU B 736 -0.669 -11.757 -9.466 1.00 0.00 C ATOM 2198 CD2 LEU B 736 -2.642 -12.056 -7.995 1.00 0.00 C ATOM 0 H LEU B 736 0.691 -9.140 -8.476 1.00 0.00 H new ATOM 0 HA LEU B 736 0.963 -10.311 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU B 736 -0.130 -12.371 -6.848 1.00 0.00 H new ATOM 0 HB3 LEU B 736 -1.111 -11.142 -6.074 1.00 0.00 H new ATOM 0 HG LEU B 736 -1.578 -10.192 -8.356 1.00 0.00 H new ATOM 0 HD11 LEU B 736 -1.345 -11.664 -10.316 1.00 0.00 H new ATOM 0 HD12 LEU B 736 0.229 -11.167 -9.650 1.00 0.00 H new ATOM 0 HD13 LEU B 736 -0.394 -12.804 -9.334 1.00 0.00 H new ATOM 0 HD21 LEU B 736 -3.264 -11.991 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU B 736 -2.388 -13.099 -7.805 1.00 0.00 H new ATOM 0 HD23 LEU B 736 -3.188 -11.654 -7.142 1.00 0.00 H new ATOM 2210 N PRO B 737 2.762 -11.841 -6.848 1.00 0.00 N ATOM 2211 CA PRO B 737 3.942 -12.431 -7.444 1.00 0.00 C ATOM 2212 C PRO B 737 3.478 -13.425 -8.514 1.00 0.00 C ATOM 2213 O PRO B 737 2.287 -13.623 -8.762 1.00 0.00 O ATOM 2214 CB PRO B 737 4.660 -13.135 -6.284 1.00 0.00 C ATOM 2215 CG PRO B 737 3.507 -13.565 -5.379 1.00 0.00 C ATOM 2216 CD PRO B 737 2.503 -12.424 -5.537 1.00 0.00 C ATOM 0 HA PRO B 737 4.608 -11.714 -7.924 1.00 0.00 H new ATOM 0 HB2 PRO B 737 5.243 -13.989 -6.629 1.00 0.00 H new ATOM 0 HB3 PRO B 737 5.349 -12.465 -5.770 1.00 0.00 H new ATOM 0 HG2 PRO B 737 3.084 -14.520 -5.690 1.00 0.00 H new ATOM 0 HG3 PRO B 737 3.828 -13.680 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO B 737 1.479 -12.792 -5.469 1.00 0.00 H new ATOM 0 HD3 PRO B 737 2.628 -11.682 -4.748 1.00 0.00 H new ATOM 2224 N GLU B 738 4.432 -14.009 -9.216 1.00 0.00 N ATOM 2225 CA GLU B 738 4.167 -15.021 -10.232 1.00 0.00 C ATOM 2226 C GLU B 738 4.577 -16.373 -9.668 1.00 0.00 C ATOM 2227 O GLU B 738 4.128 -17.418 -10.138 1.00 0.00 O ATOM 2228 CB GLU B 738 5.027 -14.748 -11.451 1.00 0.00 C ATOM 2229 CG GLU B 738 4.344 -15.252 -12.721 1.00 0.00 C ATOM 2230 CD GLU B 738 5.258 -15.015 -13.908 1.00 0.00 C ATOM 2231 OE1 GLU B 738 6.395 -15.551 -13.877 1.00 0.00 O ATOM 2232 OE2 GLU B 738 4.863 -14.240 -14.807 1.00 0.00 O ATOM 0 H GLU B 738 5.422 -13.795 -9.099 1.00 0.00 H new ATOM 0 HA GLU B 738 3.112 -15.006 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU B 738 5.217 -13.678 -11.535 1.00 0.00 H new ATOM 0 HB3 GLU B 738 5.995 -15.236 -11.335 1.00 0.00 H new ATOM 0 HG2 GLU B 738 4.116 -16.314 -12.629 1.00 0.00 H new ATOM 0 HG3 GLU B 738 3.396 -14.735 -12.868 1.00 0.00 H new ATOM 2239 N SER B 739 5.494 -16.326 -8.704 1.00 0.00 N ATOM 2240 CA SER B 739 6.056 -17.437 -8.004 1.00 0.00 C ATOM 2241 C SER B 739 5.521 -17.317 -6.586 1.00 0.00 C ATOM 2242 O SER B 739 4.302 -17.477 -6.386 1.00 0.00 O ATOM 2243 CB SER B 739 7.584 -17.368 -8.126 1.00 0.00 C ATOM 2244 OG SER B 739 8.047 -16.120 -7.629 1.00 0.00 O ATOM 0 H SER B 739 5.879 -15.438 -8.382 1.00 0.00 H new ATOM 0 HA SER B 739 5.784 -18.416 -8.398 1.00 0.00 H new ATOM 0 HB2 SER B 739 8.041 -18.185 -7.567 1.00 0.00 H new ATOM 0 HB3 SER B 739 7.881 -17.489 -9.168 1.00 0.00 H new ATOM 0 HG SER B 739 9.023 -16.079 -7.706 1.00 0.00 H new TER 2250 SER B 739