USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 MET CE :methyl -179:sc= -1.37 (180deg=-1.37) USER MOD Set 1.2: A 60 MET CE :methyl -135:sc= -0.443 (180deg=-0.75) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0669 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -3.61! C(o=-3.6!,f=-5.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 155:sc= -0.0751 (180deg=-0.389) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.35 X(o=-2.4,f=-2.6) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.862 USER MOD Single : A 38 GLN : amide:sc= -0.449 K(o=-0.45,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.809) USER MOD Single : A 46 ASN : amide:sc= 0.441 K(o=0.44,f=-2.8!) USER MOD Single : A 47 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.039) USER MOD Single : A 52 SER OG : rot 78:sc= 0.00885 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 62 ASN : amide:sc= 0.245 X(o=0.24,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.504 USER MOD Single : A 69 THR OG1 : rot 160:sc= -0.838 USER MOD Single : A 79 GLN : amide:sc=-0.00254 X(o=-0.0025,f=-0.35) USER MOD Single : A 80 MET CE :methyl -117:sc= -2.85 (180deg=-6.31!) USER MOD Single : A 82 TYR OH : rot -32:sc= -0.677 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.131 F(o=-1.1,f=-0.13) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.877 11.376 -7.898 1.00 0.00 N ATOM 2 CA GLY A 1 16.682 11.487 -8.780 1.00 0.00 C ATOM 3 C GLY A 1 15.408 11.047 -8.087 1.00 0.00 C ATOM 4 O GLY A 1 15.452 10.465 -7.003 1.00 0.00 O ATOM 0 H1 GLY A 1 18.232 12.327 -7.673 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.615 10.887 -7.018 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.620 10.836 -8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.574 12.520 -9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.835 10.880 -9.672 1.00 0.00 H new ATOM 10 N SER A 2 14.270 11.325 -8.713 1.00 0.00 N ATOM 11 CA SER A 2 12.977 10.953 -8.150 1.00 0.00 C ATOM 12 C SER A 2 12.760 11.624 -6.797 1.00 0.00 C ATOM 13 O SER A 2 13.226 11.134 -5.768 1.00 0.00 O ATOM 14 CB SER A 2 12.881 9.434 -8.000 1.00 0.00 C ATOM 15 OG SER A 2 11.573 8.975 -8.297 1.00 0.00 O ATOM 0 H SER A 2 14.216 11.807 -9.611 1.00 0.00 H new ATOM 0 HA SER A 2 12.199 11.294 -8.833 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.598 8.953 -8.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.148 9.148 -6.983 1.00 0.00 H new ATOM 0 HG SER A 2 11.537 8.001 -8.196 1.00 0.00 H new ATOM 21 N SER A 3 12.050 12.747 -6.806 1.00 0.00 N ATOM 22 CA SER A 3 11.771 13.485 -5.579 1.00 0.00 C ATOM 23 C SER A 3 10.736 12.755 -4.728 1.00 0.00 C ATOM 24 O SER A 3 10.263 11.680 -5.096 1.00 0.00 O ATOM 25 CB SER A 3 11.277 14.894 -5.908 1.00 0.00 C ATOM 26 OG SER A 3 11.941 15.415 -7.047 1.00 0.00 O ATOM 0 H SER A 3 11.657 13.166 -7.649 1.00 0.00 H new ATOM 0 HA SER A 3 12.697 13.557 -5.009 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.202 14.873 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.445 15.550 -5.054 1.00 0.00 H new ATOM 0 HG SER A 3 11.606 16.316 -7.237 1.00 0.00 H new ATOM 32 N GLY A 4 10.391 13.347 -3.590 1.00 0.00 N ATOM 33 CA GLY A 4 9.414 12.739 -2.705 1.00 0.00 C ATOM 34 C GLY A 4 10.026 11.687 -1.801 1.00 0.00 C ATOM 35 O GLY A 4 10.442 10.626 -2.266 1.00 0.00 O ATOM 0 H GLY A 4 10.770 14.236 -3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.950 13.513 -2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.622 12.286 -3.300 1.00 0.00 H new ATOM 39 N SER A 5 10.081 11.980 -0.506 1.00 0.00 N ATOM 40 CA SER A 5 10.648 11.051 0.465 1.00 0.00 C ATOM 41 C SER A 5 9.588 10.598 1.465 1.00 0.00 C ATOM 42 O SER A 5 9.529 9.423 1.832 1.00 0.00 O ATOM 43 CB SER A 5 11.816 11.704 1.205 1.00 0.00 C ATOM 44 OG SER A 5 11.432 12.944 1.774 1.00 0.00 O ATOM 0 H SER A 5 9.740 12.853 -0.105 1.00 0.00 H new ATOM 0 HA SER A 5 11.012 10.177 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.173 11.036 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.646 11.858 0.516 1.00 0.00 H new ATOM 0 HG SER A 5 12.196 13.340 2.243 1.00 0.00 H new ATOM 50 N SER A 6 8.752 11.534 1.900 1.00 0.00 N ATOM 51 CA SER A 6 7.694 11.230 2.857 1.00 0.00 C ATOM 52 C SER A 6 6.672 10.275 2.250 1.00 0.00 C ATOM 53 O SER A 6 6.228 10.464 1.117 1.00 0.00 O ATOM 54 CB SER A 6 7.003 12.516 3.312 1.00 0.00 C ATOM 55 OG SER A 6 6.290 12.314 4.520 1.00 0.00 O ATOM 0 H SER A 6 8.786 12.510 1.605 1.00 0.00 H new ATOM 0 HA SER A 6 8.148 10.746 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.746 13.301 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.319 12.859 2.536 1.00 0.00 H new ATOM 0 HG SER A 6 5.859 13.152 4.790 1.00 0.00 H new ATOM 61 N GLY A 7 6.303 9.250 3.010 1.00 0.00 N ATOM 62 CA GLY A 7 5.336 8.280 2.529 1.00 0.00 C ATOM 63 C GLY A 7 3.945 8.867 2.389 1.00 0.00 C ATOM 64 O GLY A 7 3.696 9.998 2.807 1.00 0.00 O ATOM 0 H GLY A 7 6.656 9.073 3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.663 7.894 1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.302 7.434 3.216 1.00 0.00 H new ATOM 68 N ASP A 8 3.037 8.096 1.799 1.00 0.00 N ATOM 69 CA ASP A 8 1.663 8.545 1.605 1.00 0.00 C ATOM 70 C ASP A 8 0.673 7.480 2.066 1.00 0.00 C ATOM 71 O ASP A 8 -0.332 7.223 1.405 1.00 0.00 O ATOM 72 CB ASP A 8 1.419 8.883 0.133 1.00 0.00 C ATOM 73 CG ASP A 8 1.798 10.312 -0.203 1.00 0.00 C ATOM 74 OD1 ASP A 8 0.983 11.221 0.060 1.00 0.00 O ATOM 75 OD2 ASP A 8 2.911 10.523 -0.730 1.00 0.00 O ATOM 0 H ASP A 8 3.228 7.158 1.447 1.00 0.00 H new ATOM 0 HA ASP A 8 1.511 9.441 2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.994 8.201 -0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.367 8.724 -0.104 1.00 0.00 H new ATOM 80 N MET A 9 0.965 6.865 3.207 1.00 0.00 N ATOM 81 CA MET A 9 0.102 5.827 3.760 1.00 0.00 C ATOM 82 C MET A 9 -0.892 6.416 4.758 1.00 0.00 C ATOM 83 O MET A 9 -1.973 5.866 4.968 1.00 0.00 O ATOM 84 CB MET A 9 0.942 4.743 4.438 1.00 0.00 C ATOM 85 CG MET A 9 1.299 3.586 3.519 1.00 0.00 C ATOM 86 SD MET A 9 0.182 2.184 3.702 1.00 0.00 S ATOM 87 CE MET A 9 0.042 1.639 2.002 1.00 0.00 C ATOM 0 H MET A 9 1.793 7.067 3.767 1.00 0.00 H new ATOM 0 HA MET A 9 -0.459 5.382 2.938 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.860 5.191 4.818 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.396 4.357 5.299 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.279 3.929 2.485 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.319 3.263 3.728 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.634 0.785 1.948 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.350 2.452 1.391 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.025 1.348 1.631 1.00 0.00 H new ATOM 97 N LYS A 10 -0.519 7.537 5.368 1.00 0.00 N ATOM 98 CA LYS A 10 -1.378 8.200 6.344 1.00 0.00 C ATOM 99 C LYS A 10 -2.742 8.522 5.741 1.00 0.00 C ATOM 100 O LYS A 10 -3.768 8.428 6.416 1.00 0.00 O ATOM 101 CB LYS A 10 -0.716 9.484 6.848 1.00 0.00 C ATOM 102 CG LYS A 10 -1.125 9.866 8.262 1.00 0.00 C ATOM 103 CD LYS A 10 -1.238 11.373 8.421 1.00 0.00 C ATOM 104 CE LYS A 10 -1.171 11.787 9.881 1.00 0.00 C ATOM 105 NZ LYS A 10 -1.434 13.240 10.061 1.00 0.00 N ATOM 0 H LYS A 10 0.372 8.005 5.204 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.523 7.519 7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.367 9.363 6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.968 10.302 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.081 9.401 8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.393 9.478 8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.435 11.859 7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.177 11.716 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.899 11.213 10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.187 11.544 10.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.379 13.480 11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.724 13.789 9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.383 13.468 9.702 1.00 0.00 H new ATOM 119 N GLN A 11 -2.747 8.902 4.468 1.00 0.00 N ATOM 120 CA GLN A 11 -3.984 9.238 3.775 1.00 0.00 C ATOM 121 C GLN A 11 -4.933 8.045 3.746 1.00 0.00 C ATOM 122 O GLN A 11 -6.154 8.208 3.753 1.00 0.00 O ATOM 123 CB GLN A 11 -3.685 9.700 2.347 1.00 0.00 C ATOM 124 CG GLN A 11 -3.064 8.619 1.477 1.00 0.00 C ATOM 125 CD GLN A 11 -2.469 9.171 0.196 1.00 0.00 C ATOM 126 OE1 GLN A 11 -2.832 8.752 -0.903 1.00 0.00 O ATOM 127 NE2 GLN A 11 -1.548 10.119 0.333 1.00 0.00 N ATOM 0 H GLN A 11 -1.907 8.985 3.895 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.466 10.050 4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.610 10.042 1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.012 10.557 2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.287 8.105 2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.823 7.876 1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.277 10.436 1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.112 10.529 -0.493 1.00 0.00 H new ATOM 136 N LEU A 12 -4.365 6.844 3.713 1.00 0.00 N ATOM 137 CA LEU A 12 -5.160 5.621 3.683 1.00 0.00 C ATOM 138 C LEU A 12 -5.789 5.348 5.045 1.00 0.00 C ATOM 139 O LEU A 12 -5.091 5.231 6.051 1.00 0.00 O ATOM 140 CB LEU A 12 -4.293 4.434 3.260 1.00 0.00 C ATOM 141 CG LEU A 12 -4.160 4.234 1.750 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.079 3.211 1.440 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.491 3.806 1.151 1.00 0.00 C ATOM 0 H LEU A 12 -3.357 6.691 3.706 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.960 5.755 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.297 4.563 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.710 3.526 3.696 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.871 5.184 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.999 3.082 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.125 3.559 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.337 2.258 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.378 3.668 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.810 2.868 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.240 4.575 1.342 1.00 0.00 H new ATOM 155 N ALA A 13 -7.114 5.245 5.068 1.00 0.00 N ATOM 156 CA ALA A 13 -7.840 4.985 6.306 1.00 0.00 C ATOM 157 C ALA A 13 -7.513 3.599 6.852 1.00 0.00 C ATOM 158 O ALA A 13 -7.159 2.693 6.099 1.00 0.00 O ATOM 159 CB ALA A 13 -9.337 5.125 6.079 1.00 0.00 C ATOM 0 H ALA A 13 -7.707 5.338 4.243 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.526 5.722 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.866 4.928 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.561 6.137 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.659 4.410 5.321 1.00 0.00 H new ATOM 165 N GLU A 14 -7.635 3.443 8.166 1.00 0.00 N ATOM 166 CA GLU A 14 -7.353 2.168 8.814 1.00 0.00 C ATOM 167 C GLU A 14 -8.266 1.070 8.276 1.00 0.00 C ATOM 168 O GLU A 14 -7.825 -0.052 8.028 1.00 0.00 O ATOM 169 CB GLU A 14 -7.524 2.292 10.329 1.00 0.00 C ATOM 170 CG GLU A 14 -6.645 1.338 11.121 1.00 0.00 C ATOM 171 CD GLU A 14 -5.952 2.015 12.289 1.00 0.00 C ATOM 172 OE1 GLU A 14 -5.141 2.933 12.047 1.00 0.00 O ATOM 173 OE2 GLU A 14 -6.221 1.627 13.445 1.00 0.00 O ATOM 0 H GLU A 14 -7.927 4.184 8.803 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.320 1.898 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.298 3.315 10.629 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.568 2.108 10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.253 0.514 11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.894 0.907 10.459 1.00 0.00 H new ATOM 180 N ASP A 15 -9.541 1.402 8.098 1.00 0.00 N ATOM 181 CA ASP A 15 -10.517 0.445 7.589 1.00 0.00 C ATOM 182 C ASP A 15 -10.166 0.015 6.168 1.00 0.00 C ATOM 183 O ASP A 15 -10.382 -1.135 5.786 1.00 0.00 O ATOM 184 CB ASP A 15 -11.921 1.052 7.622 1.00 0.00 C ATOM 185 CG ASP A 15 -12.719 0.594 8.827 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.944 -0.628 8.960 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.121 1.456 9.636 1.00 0.00 O ATOM 0 H ASP A 15 -9.922 2.327 8.299 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.496 -0.436 8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.844 2.139 7.632 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.454 0.779 6.711 1.00 0.00 H new ATOM 192 N VAL A 16 -9.627 0.947 5.389 1.00 0.00 N ATOM 193 CA VAL A 16 -9.247 0.665 4.010 1.00 0.00 C ATOM 194 C VAL A 16 -8.116 -0.357 3.951 1.00 0.00 C ATOM 195 O VAL A 16 -8.094 -1.224 3.078 1.00 0.00 O ATOM 196 CB VAL A 16 -8.807 1.945 3.274 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.565 1.659 1.800 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.844 3.045 3.447 1.00 0.00 C ATOM 0 H VAL A 16 -9.444 1.904 5.689 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.129 0.257 3.516 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.870 2.288 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.255 2.575 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.782 0.907 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.484 1.289 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.515 3.941 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.798 2.713 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.962 3.270 4.507 1.00 0.00 H new ATOM 208 N LYS A 17 -7.178 -0.247 4.886 1.00 0.00 N ATOM 209 CA LYS A 17 -6.042 -1.161 4.941 1.00 0.00 C ATOM 210 C LYS A 17 -6.430 -2.470 5.622 1.00 0.00 C ATOM 211 O LYS A 17 -5.890 -3.530 5.304 1.00 0.00 O ATOM 212 CB LYS A 17 -4.874 -0.511 5.686 1.00 0.00 C ATOM 213 CG LYS A 17 -4.402 0.791 5.058 1.00 0.00 C ATOM 214 CD LYS A 17 -4.185 1.870 6.107 1.00 0.00 C ATOM 215 CE LYS A 17 -2.755 1.863 6.624 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.628 1.092 7.891 1.00 0.00 N ATOM 0 H LYS A 17 -7.182 0.466 5.616 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.734 -1.382 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.172 -0.321 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.040 -1.212 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.473 0.618 4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.138 1.133 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.414 2.846 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.874 1.716 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.098 1.432 5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.423 2.888 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.639 1.111 8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.236 1.518 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.921 0.107 7.729 1.00 0.00 H new ATOM 230 N LEU A 18 -7.367 -2.388 6.561 1.00 0.00 N ATOM 231 CA LEU A 18 -7.826 -3.566 7.288 1.00 0.00 C ATOM 232 C LEU A 18 -8.413 -4.601 6.332 1.00 0.00 C ATOM 233 O LEU A 18 -8.202 -5.802 6.496 1.00 0.00 O ATOM 234 CB LEU A 18 -8.871 -3.170 8.335 1.00 0.00 C ATOM 235 CG LEU A 18 -8.308 -2.837 9.717 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.375 -2.188 10.584 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.763 -4.090 10.386 1.00 0.00 C ATOM 0 H LEU A 18 -7.823 -1.518 6.836 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.967 -4.009 7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.423 -2.305 7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.587 -3.985 8.438 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.488 -2.129 9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.957 -1.958 11.564 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.719 -1.268 10.111 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.216 -2.872 10.700 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.366 -3.835 11.369 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.564 -4.821 10.497 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.968 -4.513 9.773 1.00 0.00 H new ATOM 249 N GLN A 19 -9.152 -4.126 5.335 1.00 0.00 N ATOM 250 CA GLN A 19 -9.771 -5.009 4.354 1.00 0.00 C ATOM 251 C GLN A 19 -8.718 -5.648 3.456 1.00 0.00 C ATOM 252 O GLN A 19 -8.887 -6.773 2.988 1.00 0.00 O ATOM 253 CB GLN A 19 -10.781 -4.234 3.505 1.00 0.00 C ATOM 254 CG GLN A 19 -11.893 -3.590 4.317 1.00 0.00 C ATOM 255 CD GLN A 19 -12.769 -2.677 3.484 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.443 -3.122 2.555 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.763 -1.390 3.812 1.00 0.00 N ATOM 0 H GLN A 19 -9.337 -3.134 5.185 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.291 -5.801 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.255 -3.459 2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.222 -4.910 2.773 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.509 -4.370 4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.456 -3.020 5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.189 -1.065 4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.332 -0.727 3.286 1.00 0.00 H new ATOM 266 N LEU A 20 -7.631 -4.921 3.217 1.00 0.00 N ATOM 267 CA LEU A 20 -6.550 -5.417 2.374 1.00 0.00 C ATOM 268 C LEU A 20 -5.936 -6.683 2.962 1.00 0.00 C ATOM 269 O LEU A 20 -5.525 -7.584 2.231 1.00 0.00 O ATOM 270 CB LEU A 20 -5.472 -4.345 2.207 1.00 0.00 C ATOM 271 CG LEU A 20 -5.704 -3.368 1.053 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.835 -2.131 1.218 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.423 -4.043 -0.281 1.00 0.00 C ATOM 0 H LEU A 20 -7.476 -3.987 3.595 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.968 -5.658 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.399 -3.777 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.511 -4.838 2.058 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.749 -3.058 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.014 -1.448 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.083 -1.635 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.785 -2.423 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.593 -3.333 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.387 -4.381 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.087 -4.899 -0.403 1.00 0.00 H new ATOM 285 N TYR A 21 -5.877 -6.745 4.288 1.00 0.00 N ATOM 286 CA TYR A 21 -5.313 -7.900 4.975 1.00 0.00 C ATOM 287 C TYR A 21 -6.125 -9.158 4.684 1.00 0.00 C ATOM 288 O TYR A 21 -5.566 -10.229 4.445 1.00 0.00 O ATOM 289 CB TYR A 21 -5.263 -7.649 6.484 1.00 0.00 C ATOM 290 CG TYR A 21 -4.470 -6.419 6.867 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.219 -6.177 6.317 1.00 0.00 C ATOM 292 CD2 TYR A 21 -4.976 -5.500 7.779 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.491 -5.054 6.664 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.255 -4.375 8.130 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.014 -4.156 7.571 1.00 0.00 C ATOM 296 OH TYR A 21 -2.293 -3.037 7.919 1.00 0.00 O ATOM 0 H TYR A 21 -6.213 -6.008 4.908 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.299 -8.051 4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.281 -7.547 6.861 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.827 -8.519 6.975 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.807 -6.878 5.606 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.948 -5.668 8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.518 -4.881 6.227 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.662 -3.670 8.840 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.803 -2.508 8.567 1.00 0.00 H new ATOM 306 N LYS A 22 -7.447 -9.022 4.705 1.00 0.00 N ATOM 307 CA LYS A 22 -8.336 -10.148 4.443 1.00 0.00 C ATOM 308 C LYS A 22 -8.163 -10.656 3.014 1.00 0.00 C ATOM 309 O LYS A 22 -8.196 -11.861 2.765 1.00 0.00 O ATOM 310 CB LYS A 22 -9.791 -9.742 4.682 1.00 0.00 C ATOM 311 CG LYS A 22 -10.317 -10.140 6.051 1.00 0.00 C ATOM 312 CD LYS A 22 -11.798 -9.829 6.190 1.00 0.00 C ATOM 313 CE LYS A 22 -12.655 -11.042 5.864 1.00 0.00 C ATOM 314 NZ LYS A 22 -12.499 -12.121 6.877 1.00 0.00 N ATOM 0 H LYS A 22 -7.926 -8.143 4.901 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.075 -10.954 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.882 -8.662 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.417 -10.198 3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.151 -11.206 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.759 -9.612 6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.007 -9.497 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.062 -9.006 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.702 -10.743 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.382 -11.425 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.352 -12.716 6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.672 -12.704 6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.364 -11.698 7.817 1.00 0.00 H new ATOM 328 N LEU A 23 -7.982 -9.728 2.080 1.00 0.00 N ATOM 329 CA LEU A 23 -7.807 -10.080 0.676 1.00 0.00 C ATOM 330 C LEU A 23 -6.468 -10.779 0.451 1.00 0.00 C ATOM 331 O LEU A 23 -6.417 -11.886 -0.085 1.00 0.00 O ATOM 332 CB LEU A 23 -7.895 -8.829 -0.200 1.00 0.00 C ATOM 333 CG LEU A 23 -9.314 -8.313 -0.448 1.00 0.00 C ATOM 334 CD1 LEU A 23 -9.312 -6.799 -0.592 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.909 -8.967 -1.686 1.00 0.00 C ATOM 0 H LEU A 23 -7.953 -8.726 2.270 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.606 -10.767 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.312 -8.035 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.429 -9.043 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.932 -8.576 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.329 -6.449 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.926 -6.347 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.680 -6.514 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.918 -8.589 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.291 -8.734 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.945 -10.047 -1.545 1.00 0.00 H new ATOM 347 N LEU A 24 -5.388 -10.125 0.867 1.00 0.00 N ATOM 348 CA LEU A 24 -4.050 -10.685 0.711 1.00 0.00 C ATOM 349 C LEU A 24 -3.926 -12.021 1.437 1.00 0.00 C ATOM 350 O LEU A 24 -3.099 -12.859 1.077 1.00 0.00 O ATOM 351 CB LEU A 24 -3.001 -9.704 1.240 1.00 0.00 C ATOM 352 CG LEU A 24 -3.080 -8.294 0.655 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.470 -7.283 1.613 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.383 -8.239 -0.696 1.00 0.00 C ATOM 0 H LEU A 24 -5.413 -9.208 1.314 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.878 -10.856 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.102 -9.638 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.010 -10.110 1.036 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.130 -8.039 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.535 -6.285 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.013 -7.304 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.424 -7.534 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.449 -7.228 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.335 -8.515 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.865 -8.935 -1.383 1.00 0.00 H new ATOM 366 N GLU A 25 -4.752 -12.215 2.462 1.00 0.00 N ATOM 367 CA GLU A 25 -4.733 -13.451 3.238 1.00 0.00 C ATOM 368 C GLU A 25 -4.935 -14.669 2.339 1.00 0.00 C ATOM 369 O GLU A 25 -4.499 -15.772 2.667 1.00 0.00 O ATOM 370 CB GLU A 25 -5.814 -13.414 4.320 1.00 0.00 C ATOM 371 CG GLU A 25 -5.336 -13.907 5.675 1.00 0.00 C ATOM 372 CD GLU A 25 -6.455 -13.988 6.695 1.00 0.00 C ATOM 373 OE1 GLU A 25 -7.413 -13.193 6.589 1.00 0.00 O ATOM 374 OE2 GLU A 25 -6.374 -14.844 7.600 1.00 0.00 O ATOM 0 H GLU A 25 -5.442 -11.532 2.774 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.755 -13.535 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.179 -12.392 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.659 -14.023 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.883 -14.892 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.559 -13.240 6.047 1.00 0.00 H new ATOM 381 N ILE A 26 -5.596 -14.461 1.204 1.00 0.00 N ATOM 382 CA ILE A 26 -5.852 -15.544 0.261 1.00 0.00 C ATOM 383 C ILE A 26 -4.545 -16.068 -0.335 1.00 0.00 C ATOM 384 O ILE A 26 -3.852 -15.348 -1.054 1.00 0.00 O ATOM 385 CB ILE A 26 -6.780 -15.086 -0.882 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.050 -14.448 -0.316 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.130 -16.260 -1.788 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.756 -13.537 -1.297 1.00 0.00 C ATOM 0 H ILE A 26 -5.963 -13.554 0.916 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.343 -16.343 0.817 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.254 -14.339 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.736 -15.236 -0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.794 -13.878 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.786 -15.919 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.217 -16.673 -2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.638 -17.029 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.648 -13.120 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.087 -12.728 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.043 -14.107 -2.181 1.00 0.00 H new ATOM 400 N PRO A 27 -4.187 -17.333 -0.046 1.00 0.00 N ATOM 401 CA PRO A 27 -2.956 -17.939 -0.562 1.00 0.00 C ATOM 402 C PRO A 27 -3.049 -18.266 -2.049 1.00 0.00 C ATOM 403 O PRO A 27 -2.982 -19.429 -2.446 1.00 0.00 O ATOM 404 CB PRO A 27 -2.823 -19.220 0.262 1.00 0.00 C ATOM 405 CG PRO A 27 -4.220 -19.574 0.632 1.00 0.00 C ATOM 406 CD PRO A 27 -4.949 -18.270 0.803 1.00 0.00 C ATOM 0 HA PRO A 27 -2.101 -17.268 -0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.352 -20.016 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.207 -19.060 1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.686 -20.182 -0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.244 -20.157 1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.988 -18.347 0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.959 -17.950 1.845 1.00 0.00 H new ATOM 414 N ASP A 28 -3.203 -17.231 -2.869 1.00 0.00 N ATOM 415 CA ASP A 28 -3.305 -17.409 -4.313 1.00 0.00 C ATOM 416 C ASP A 28 -2.048 -16.893 -5.014 1.00 0.00 C ATOM 417 O ASP A 28 -1.486 -15.871 -4.620 1.00 0.00 O ATOM 418 CB ASP A 28 -4.540 -16.682 -4.851 1.00 0.00 C ATOM 419 CG ASP A 28 -5.710 -17.620 -5.072 1.00 0.00 C ATOM 420 OD1 ASP A 28 -5.475 -18.779 -5.472 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.863 -17.194 -4.844 1.00 0.00 O ATOM 0 H ASP A 28 -3.260 -16.261 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.402 -18.475 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.832 -15.900 -4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.289 -16.191 -5.791 1.00 0.00 H new ATOM 426 N PRO A 29 -1.589 -17.595 -6.065 1.00 0.00 N ATOM 427 CA PRO A 29 -0.392 -17.198 -6.816 1.00 0.00 C ATOM 428 C PRO A 29 -0.458 -15.749 -7.289 1.00 0.00 C ATOM 429 O PRO A 29 0.560 -15.061 -7.356 1.00 0.00 O ATOM 430 CB PRO A 29 -0.387 -18.150 -8.013 1.00 0.00 C ATOM 431 CG PRO A 29 -1.148 -19.344 -7.551 1.00 0.00 C ATOM 432 CD PRO A 29 -2.195 -18.826 -6.605 1.00 0.00 C ATOM 0 HA PRO A 29 0.508 -17.258 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.857 -17.693 -8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.629 -18.416 -8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.605 -19.865 -8.392 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.491 -20.057 -7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.134 -18.620 -7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.415 -19.545 -5.816 1.00 0.00 H new ATOM 440 N ASP A 30 -1.662 -15.292 -7.617 1.00 0.00 N ATOM 441 CA ASP A 30 -1.859 -13.925 -8.086 1.00 0.00 C ATOM 442 C ASP A 30 -2.829 -13.172 -7.181 1.00 0.00 C ATOM 443 O ASP A 30 -3.548 -12.279 -7.633 1.00 0.00 O ATOM 444 CB ASP A 30 -2.383 -13.928 -9.523 1.00 0.00 C ATOM 445 CG ASP A 30 -1.383 -14.517 -10.501 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.167 -15.746 -10.460 1.00 0.00 O ATOM 447 OD2 ASP A 30 -0.819 -13.748 -11.308 1.00 0.00 O ATOM 0 H ASP A 30 -2.516 -15.848 -7.567 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.896 -13.416 -8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.311 -14.499 -9.568 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.622 -12.907 -9.822 1.00 0.00 H new ATOM 452 N LYS A 31 -2.846 -13.536 -5.903 1.00 0.00 N ATOM 453 CA LYS A 31 -3.729 -12.893 -4.937 1.00 0.00 C ATOM 454 C LYS A 31 -3.302 -13.216 -3.508 1.00 0.00 C ATOM 455 O LYS A 31 -4.139 -13.450 -2.637 1.00 0.00 O ATOM 456 CB LYS A 31 -5.176 -13.336 -5.163 1.00 0.00 C ATOM 457 CG LYS A 31 -5.915 -12.498 -6.193 1.00 0.00 C ATOM 458 CD LYS A 31 -7.421 -12.586 -6.005 1.00 0.00 C ATOM 459 CE LYS A 31 -8.165 -12.162 -7.263 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.518 -11.624 -6.952 1.00 0.00 N ATOM 0 H LYS A 31 -2.258 -14.273 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.660 -11.815 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.182 -14.378 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.714 -13.290 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.597 -11.458 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.652 -12.836 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.697 -13.608 -5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.722 -11.952 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.585 -11.404 -7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.259 -13.015 -7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.993 -11.346 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.080 -12.355 -6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.427 -10.794 -6.332 1.00 0.00 H new ATOM 474 N ASN A 32 -1.993 -13.227 -3.275 1.00 0.00 N ATOM 475 CA ASN A 32 -1.455 -13.521 -1.951 1.00 0.00 C ATOM 476 C ASN A 32 -0.658 -12.337 -1.413 1.00 0.00 C ATOM 477 O ASN A 32 -0.201 -11.485 -2.175 1.00 0.00 O ATOM 478 CB ASN A 32 -0.570 -14.766 -2.003 1.00 0.00 C ATOM 479 CG ASN A 32 -0.086 -15.189 -0.629 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.110 -15.376 -0.410 1.00 0.00 O ATOM 481 ND2 ASN A 32 -1.018 -15.341 0.305 1.00 0.00 N ATOM 0 H ASN A 32 -1.286 -13.036 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.292 -13.707 -1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.127 -15.586 -2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.290 -14.571 -2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.753 -15.624 1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.999 -15.175 0.079 1.00 0.00 H new ATOM 488 N TRP A 33 -0.495 -12.292 -0.094 1.00 0.00 N ATOM 489 CA TRP A 33 0.248 -11.213 0.548 1.00 0.00 C ATOM 490 C TRP A 33 1.720 -11.252 0.151 1.00 0.00 C ATOM 491 O TRP A 33 2.322 -10.218 -0.139 1.00 0.00 O ATOM 492 CB TRP A 33 0.117 -11.310 2.069 1.00 0.00 C ATOM 493 CG TRP A 33 0.460 -12.665 2.610 1.00 0.00 C ATOM 494 CD1 TRP A 33 -0.403 -13.698 2.839 1.00 0.00 C ATOM 495 CD2 TRP A 33 1.758 -13.133 2.990 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.280 -14.781 3.338 1.00 0.00 N ATOM 497 CE2 TRP A 33 1.609 -14.459 3.440 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.034 -12.561 2.993 1.00 0.00 C ATOM 499 CZ2 TRP A 33 2.686 -15.219 3.888 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.102 -13.317 3.438 1.00 0.00 C ATOM 501 CH2 TRP A 33 3.922 -14.633 3.879 1.00 0.00 C ATOM 0 H TRP A 33 -0.867 -12.990 0.550 1.00 0.00 H new ATOM 0 HA TRP A 33 -0.175 -10.266 0.212 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.768 -10.567 2.531 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.905 -11.061 2.355 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.467 -13.668 2.655 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.134 -15.678 3.591 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.182 -11.546 2.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.551 -16.234 4.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.092 -12.885 3.446 1.00 0.00 H new ATOM 0 HH2 TRP A 33 4.777 -15.198 4.219 1.00 0.00 H new ATOM 512 N ALA A 34 2.294 -12.451 0.141 1.00 0.00 N ATOM 513 CA ALA A 34 3.695 -12.625 -0.220 1.00 0.00 C ATOM 514 C ALA A 34 3.971 -12.103 -1.625 1.00 0.00 C ATOM 515 O ALA A 34 5.038 -11.550 -1.895 1.00 0.00 O ATOM 516 CB ALA A 34 4.089 -14.091 -0.112 1.00 0.00 C ATOM 0 H ALA A 34 1.809 -13.316 0.379 1.00 0.00 H new ATOM 0 HA ALA A 34 4.298 -12.045 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.138 -14.207 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.940 -14.433 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.471 -14.684 -0.786 1.00 0.00 H new ATOM 522 N THR A 35 3.004 -12.282 -2.518 1.00 0.00 N ATOM 523 CA THR A 35 3.143 -11.829 -3.898 1.00 0.00 C ATOM 524 C THR A 35 3.198 -10.306 -3.966 1.00 0.00 C ATOM 525 O THR A 35 3.940 -9.738 -4.768 1.00 0.00 O ATOM 526 CB THR A 35 1.982 -12.348 -4.746 1.00 0.00 C ATOM 527 OG1 THR A 35 1.517 -13.592 -4.254 1.00 0.00 O ATOM 528 CG2 THR A 35 2.344 -12.537 -6.204 1.00 0.00 C ATOM 0 H THR A 35 2.115 -12.738 -2.311 1.00 0.00 H new ATOM 0 HA THR A 35 4.078 -12.227 -4.293 1.00 0.00 H new ATOM 0 HB THR A 35 1.209 -11.583 -4.676 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.773 -13.906 -4.809 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.476 -12.907 -6.749 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.659 -11.583 -6.627 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.158 -13.257 -6.286 1.00 0.00 H new ATOM 536 N LEU A 36 2.408 -9.651 -3.123 1.00 0.00 N ATOM 537 CA LEU A 36 2.367 -8.193 -3.088 1.00 0.00 C ATOM 538 C LEU A 36 3.687 -7.623 -2.577 1.00 0.00 C ATOM 539 O LEU A 36 4.100 -6.535 -2.977 1.00 0.00 O ATOM 540 CB LEU A 36 1.215 -7.716 -2.203 1.00 0.00 C ATOM 541 CG LEU A 36 1.046 -6.198 -2.123 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.549 -5.645 -3.449 1.00 0.00 C ATOM 543 CD2 LEU A 36 0.092 -5.827 -0.998 1.00 0.00 C ATOM 0 H LEU A 36 1.787 -10.106 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 36 2.207 -7.834 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.287 -8.150 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.367 -8.103 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 36 2.019 -5.754 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.435 -4.564 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.269 -5.879 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.413 -6.095 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.017 -4.743 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.881 -6.282 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.489 -6.189 -0.050 1.00 0.00 H new ATOM 555 N ALA A 37 4.342 -8.366 -1.692 1.00 0.00 N ATOM 556 CA ALA A 37 5.615 -7.933 -1.126 1.00 0.00 C ATOM 557 C ALA A 37 6.680 -7.797 -2.210 1.00 0.00 C ATOM 558 O ALA A 37 7.496 -6.875 -2.178 1.00 0.00 O ATOM 559 CB ALA A 37 6.074 -8.910 -0.054 1.00 0.00 C ATOM 0 H ALA A 37 4.014 -9.270 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 37 5.468 -6.953 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.025 -8.575 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.328 -8.956 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.198 -9.900 -0.493 1.00 0.00 H new ATOM 565 N GLN A 38 6.666 -8.718 -3.167 1.00 0.00 N ATOM 566 CA GLN A 38 7.630 -8.699 -4.260 1.00 0.00 C ATOM 567 C GLN A 38 7.396 -7.500 -5.174 1.00 0.00 C ATOM 568 O GLN A 38 8.334 -6.966 -5.766 1.00 0.00 O ATOM 569 CB GLN A 38 7.542 -9.995 -5.068 1.00 0.00 C ATOM 570 CG GLN A 38 7.716 -11.249 -4.227 1.00 0.00 C ATOM 571 CD GLN A 38 7.202 -12.494 -4.923 1.00 0.00 C ATOM 572 OE1 GLN A 38 6.239 -13.117 -4.476 1.00 0.00 O ATOM 573 NE2 GLN A 38 7.844 -12.862 -6.026 1.00 0.00 N ATOM 0 H GLN A 38 5.997 -9.487 -3.208 1.00 0.00 H new ATOM 0 HA GLN A 38 8.627 -8.614 -3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.575 -10.035 -5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.305 -9.981 -5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.772 -11.379 -3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.190 -11.123 -3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.638 -12.316 -6.361 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.543 -13.691 -6.539 1.00 0.00 H new ATOM 582 N LYS A 39 6.139 -7.083 -5.284 1.00 0.00 N ATOM 583 CA LYS A 39 5.782 -5.947 -6.126 1.00 0.00 C ATOM 584 C LYS A 39 6.142 -4.630 -5.447 1.00 0.00 C ATOM 585 O LYS A 39 6.775 -3.762 -6.048 1.00 0.00 O ATOM 586 CB LYS A 39 4.287 -5.975 -6.449 1.00 0.00 C ATOM 587 CG LYS A 39 3.951 -6.758 -7.707 1.00 0.00 C ATOM 588 CD LYS A 39 4.039 -8.258 -7.470 1.00 0.00 C ATOM 589 CE LYS A 39 3.790 -9.039 -8.751 1.00 0.00 C ATOM 590 NZ LYS A 39 4.311 -10.431 -8.661 1.00 0.00 N ATOM 0 H LYS A 39 5.351 -7.514 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 39 6.349 -6.023 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.750 -6.410 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.929 -4.952 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.946 -6.500 -8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.635 -6.474 -8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.024 -8.508 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.309 -8.552 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.720 -9.064 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.265 -8.526 -9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.839 -10.661 -9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.943 -10.513 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.516 -11.093 -8.554 1.00 0.00 H new ATOM 604 N LEU A 40 5.736 -4.488 -4.189 1.00 0.00 N ATOM 605 CA LEU A 40 6.015 -3.275 -3.427 1.00 0.00 C ATOM 606 C LEU A 40 7.518 -3.059 -3.282 1.00 0.00 C ATOM 607 O LEU A 40 7.998 -1.925 -3.314 1.00 0.00 O ATOM 608 CB LEU A 40 5.363 -3.354 -2.046 1.00 0.00 C ATOM 609 CG LEU A 40 3.845 -3.539 -2.055 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.357 -4.021 -0.698 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.154 -2.241 -2.443 1.00 0.00 C ATOM 0 H LEU A 40 5.213 -5.197 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 40 5.595 -2.429 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.811 -4.182 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.599 -2.442 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 40 3.594 -4.297 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.275 -4.147 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.827 -4.975 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.619 -3.287 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.074 -2.390 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.412 -1.463 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.480 -1.939 -3.438 1.00 0.00 H new ATOM 623 N GLY A 41 8.256 -4.152 -3.120 1.00 0.00 N ATOM 624 CA GLY A 41 9.697 -4.060 -2.972 1.00 0.00 C ATOM 625 C GLY A 41 10.172 -4.541 -1.615 1.00 0.00 C ATOM 626 O GLY A 41 11.150 -4.025 -1.074 1.00 0.00 O ATOM 0 H GLY A 41 7.882 -5.100 -3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.178 -4.650 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.009 -3.026 -3.117 1.00 0.00 H new ATOM 630 N LEU A 42 9.479 -5.532 -1.064 1.00 0.00 N ATOM 631 CA LEU A 42 9.836 -6.084 0.237 1.00 0.00 C ATOM 632 C LEU A 42 10.078 -7.586 0.143 1.00 0.00 C ATOM 633 O LEU A 42 9.832 -8.326 1.097 1.00 0.00 O ATOM 634 CB LEU A 42 8.731 -5.797 1.257 1.00 0.00 C ATOM 635 CG LEU A 42 8.196 -4.364 1.246 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.810 -4.308 1.869 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.151 -3.435 1.980 1.00 0.00 C ATOM 0 H LEU A 42 8.667 -5.969 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 42 10.758 -5.605 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.901 -6.480 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.111 -6.019 2.254 1.00 0.00 H new ATOM 0 HG LEU A 42 8.120 -4.031 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.445 -3.281 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.130 -4.944 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.860 -4.659 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.756 -2.419 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.258 -3.765 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.125 -3.454 1.491 1.00 0.00 H new ATOM 649 N GLY A 43 10.562 -8.031 -1.011 1.00 0.00 N ATOM 650 CA GLY A 43 10.829 -9.444 -1.209 1.00 0.00 C ATOM 651 C GLY A 43 11.943 -9.954 -0.316 1.00 0.00 C ATOM 652 O GLY A 43 11.975 -11.132 0.039 1.00 0.00 O ATOM 0 H GLY A 43 10.774 -7.438 -1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.921 -10.013 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.095 -9.618 -2.252 1.00 0.00 H new ATOM 656 N ILE A 44 12.861 -9.063 0.049 1.00 0.00 N ATOM 657 CA ILE A 44 13.982 -9.429 0.906 1.00 0.00 C ATOM 658 C ILE A 44 13.500 -9.844 2.294 1.00 0.00 C ATOM 659 O ILE A 44 14.133 -10.662 2.962 1.00 0.00 O ATOM 660 CB ILE A 44 14.988 -8.267 1.040 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.224 -8.717 1.822 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.336 -7.066 1.711 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.229 -9.476 0.981 1.00 0.00 C ATOM 0 H ILE A 44 12.850 -8.084 -0.236 1.00 0.00 H new ATOM 0 HA ILE A 44 14.482 -10.275 0.435 1.00 0.00 H new ATOM 0 HB ILE A 44 15.303 -7.968 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.710 -7.842 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.908 -9.347 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.062 -6.258 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.488 -6.731 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.990 -7.348 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.079 -9.763 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.759 -10.370 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.574 -8.841 0.165 1.00 0.00 H new ATOM 675 N LEU A 45 12.376 -9.277 2.721 1.00 0.00 N ATOM 676 CA LEU A 45 11.810 -9.590 4.028 1.00 0.00 C ATOM 677 C LEU A 45 10.509 -10.373 3.886 1.00 0.00 C ATOM 678 O LEU A 45 9.612 -10.263 4.721 1.00 0.00 O ATOM 679 CB LEU A 45 11.559 -8.306 4.821 1.00 0.00 C ATOM 680 CG LEU A 45 12.760 -7.366 4.928 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.300 -5.942 5.201 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.710 -7.839 6.018 1.00 0.00 C ATOM 0 H LEU A 45 11.839 -8.598 2.181 1.00 0.00 H new ATOM 0 HA LEU A 45 12.529 -10.208 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.734 -7.766 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.237 -8.575 5.827 1.00 0.00 H new ATOM 0 HG LEU A 45 13.293 -7.378 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.168 -5.287 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.658 -5.605 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.744 -5.913 6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.559 -7.159 6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.187 -7.856 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.065 -8.842 5.781 1.00 0.00 H new ATOM 694 N ASN A 46 10.414 -11.163 2.821 1.00 0.00 N ATOM 695 CA ASN A 46 9.220 -11.965 2.570 1.00 0.00 C ATOM 696 C ASN A 46 9.171 -13.173 3.500 1.00 0.00 C ATOM 697 O ASN A 46 8.094 -13.623 3.893 1.00 0.00 O ATOM 698 CB ASN A 46 9.188 -12.426 1.111 1.00 0.00 C ATOM 699 CG ASN A 46 7.820 -12.248 0.479 1.00 0.00 C ATOM 700 OD1 ASN A 46 6.794 -12.376 1.147 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.800 -11.952 -0.814 1.00 0.00 N ATOM 0 H ASN A 46 11.147 -11.265 2.119 1.00 0.00 H new ATOM 0 HA ASN A 46 8.346 -11.344 2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.926 -11.864 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.476 -13.476 1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.909 -11.821 -1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.675 -11.855 -1.329 1.00 0.00 H new ATOM 708 N ASN A 47 10.343 -13.694 3.849 1.00 0.00 N ATOM 709 CA ASN A 47 10.433 -14.850 4.733 1.00 0.00 C ATOM 710 C ASN A 47 10.065 -14.468 6.164 1.00 0.00 C ATOM 711 O ASN A 47 9.529 -15.282 6.916 1.00 0.00 O ATOM 712 CB ASN A 47 11.846 -15.440 4.693 1.00 0.00 C ATOM 713 CG ASN A 47 11.853 -16.893 4.264 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.659 -17.303 3.429 1.00 0.00 O ATOM 715 ND2 ASN A 47 10.951 -17.683 4.835 1.00 0.00 N ATOM 0 H ASN A 47 11.243 -13.334 3.533 1.00 0.00 H new ATOM 0 HA ASN A 47 9.725 -15.602 4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.460 -14.858 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.301 -15.353 5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.908 -18.671 4.586 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.301 -17.302 5.523 1.00 0.00 H new ATOM 722 N ALA A 48 10.356 -13.224 6.533 1.00 0.00 N ATOM 723 CA ALA A 48 10.056 -12.736 7.873 1.00 0.00 C ATOM 724 C ALA A 48 8.551 -12.653 8.103 1.00 0.00 C ATOM 725 O ALA A 48 8.046 -13.080 9.140 1.00 0.00 O ATOM 726 CB ALA A 48 10.701 -11.376 8.096 1.00 0.00 C ATOM 0 H ALA A 48 10.799 -12.537 5.923 1.00 0.00 H new ATOM 0 HA ALA A 48 10.469 -13.444 8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.469 -11.024 9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.782 -11.463 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.315 -10.666 7.364 1.00 0.00 H new ATOM 732 N PHE A 49 7.839 -12.099 7.126 1.00 0.00 N ATOM 733 CA PHE A 49 6.391 -11.960 7.222 1.00 0.00 C ATOM 734 C PHE A 49 5.720 -13.324 7.345 1.00 0.00 C ATOM 735 O PHE A 49 4.747 -13.484 8.082 1.00 0.00 O ATOM 736 CB PHE A 49 5.847 -11.220 5.998 1.00 0.00 C ATOM 737 CG PHE A 49 6.548 -9.919 5.725 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.790 -9.018 6.749 1.00 0.00 C ATOM 739 CD2 PHE A 49 6.963 -9.598 4.442 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.435 -7.821 6.500 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.607 -8.402 4.187 1.00 0.00 C ATOM 742 CZ PHE A 49 7.843 -7.513 5.217 1.00 0.00 C ATOM 0 H PHE A 49 8.241 -11.740 6.260 1.00 0.00 H new ATOM 0 HA PHE A 49 6.165 -11.382 8.118 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.939 -11.864 5.123 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.784 -11.028 6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.471 -9.253 7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.781 -10.290 3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.620 -7.128 7.307 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.925 -8.163 3.183 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.346 -6.578 5.019 1.00 0.00 H new ATOM 752 N ARG A 50 6.246 -14.305 6.619 1.00 0.00 N ATOM 753 CA ARG A 50 5.700 -15.656 6.649 1.00 0.00 C ATOM 754 C ARG A 50 5.747 -16.232 8.060 1.00 0.00 C ATOM 755 O ARG A 50 4.756 -16.766 8.558 1.00 0.00 O ATOM 756 CB ARG A 50 6.471 -16.563 5.688 1.00 0.00 C ATOM 757 CG ARG A 50 5.640 -17.710 5.135 1.00 0.00 C ATOM 758 CD ARG A 50 5.918 -19.008 5.876 1.00 0.00 C ATOM 759 NE ARG A 50 4.727 -19.848 5.974 1.00 0.00 N ATOM 760 CZ ARG A 50 4.270 -20.606 4.980 1.00 0.00 C ATOM 761 NH1 ARG A 50 4.900 -20.633 3.812 1.00 0.00 N ATOM 762 NH2 ARG A 50 3.180 -21.340 5.154 1.00 0.00 N ATOM 0 H ARG A 50 7.050 -14.189 6.002 1.00 0.00 H new ATOM 0 HA ARG A 50 4.658 -15.606 6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.846 -15.964 4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.340 -16.971 6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.581 -17.464 5.214 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.859 -17.841 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.707 -19.557 5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.286 -18.782 6.877 1.00 0.00 H new ATOM 0 HE ARG A 50 4.215 -19.854 6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.739 -20.071 3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.545 -21.216 3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.692 -21.324 6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.829 -21.921 4.392 1.00 0.00 H new ATOM 776 N LEU A 51 6.907 -16.122 8.699 1.00 0.00 N ATOM 777 CA LEU A 51 7.084 -16.631 10.054 1.00 0.00 C ATOM 778 C LEU A 51 6.210 -15.866 11.042 1.00 0.00 C ATOM 779 O LEU A 51 5.737 -16.425 12.031 1.00 0.00 O ATOM 780 CB LEU A 51 8.553 -16.531 10.471 1.00 0.00 C ATOM 781 CG LEU A 51 9.537 -17.269 9.562 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.966 -16.850 9.871 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.376 -18.774 9.716 1.00 0.00 C ATOM 0 H LEU A 51 7.738 -15.685 8.300 1.00 0.00 H new ATOM 0 HA LEU A 51 6.781 -17.678 10.064 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.834 -15.478 10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.655 -16.922 11.484 1.00 0.00 H new ATOM 0 HG LEU A 51 9.318 -17.003 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.652 -17.385 9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.073 -15.777 9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.198 -17.087 10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.083 -19.284 9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.569 -19.057 10.751 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.360 -19.061 9.445 1.00 0.00 H new ATOM 795 N SER A 52 6.000 -14.583 10.766 1.00 0.00 N ATOM 796 CA SER A 52 5.183 -13.739 11.630 1.00 0.00 C ATOM 797 C SER A 52 3.747 -14.252 11.693 1.00 0.00 C ATOM 798 O SER A 52 3.301 -14.981 10.807 1.00 0.00 O ATOM 799 CB SER A 52 5.199 -12.294 11.128 1.00 0.00 C ATOM 800 OG SER A 52 6.382 -11.626 11.532 1.00 0.00 O ATOM 0 H SER A 52 6.384 -14.105 9.951 1.00 0.00 H new ATOM 0 HA SER A 52 5.606 -13.773 12.634 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.125 -12.283 10.041 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.328 -11.763 11.512 1.00 0.00 H new ATOM 0 HG SER A 52 7.126 -11.901 10.956 1.00 0.00 H new ATOM 806 N PRO A 53 3.002 -13.875 12.746 1.00 0.00 N ATOM 807 CA PRO A 53 1.608 -14.299 12.920 1.00 0.00 C ATOM 808 C PRO A 53 0.696 -13.745 11.831 1.00 0.00 C ATOM 809 O PRO A 53 -0.218 -14.427 11.367 1.00 0.00 O ATOM 810 CB PRO A 53 1.222 -13.723 14.286 1.00 0.00 C ATOM 811 CG PRO A 53 2.174 -12.599 14.513 1.00 0.00 C ATOM 812 CD PRO A 53 3.456 -13.005 13.845 1.00 0.00 C ATOM 0 HA PRO A 53 1.503 -15.382 12.858 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.190 -13.373 14.289 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.306 -14.476 15.070 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.790 -11.671 14.090 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.326 -12.425 15.578 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.007 -12.141 13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.117 -13.534 14.531 1.00 0.00 H new ATOM 820 N ALA A 54 0.950 -12.504 11.428 1.00 0.00 N ATOM 821 CA ALA A 54 0.152 -11.859 10.392 1.00 0.00 C ATOM 822 C ALA A 54 1.041 -11.292 9.288 1.00 0.00 C ATOM 823 O ALA A 54 1.402 -10.116 9.313 1.00 0.00 O ATOM 824 CB ALA A 54 -0.707 -10.760 10.998 1.00 0.00 C ATOM 0 H ALA A 54 1.702 -11.925 11.803 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.500 -12.611 9.947 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.298 -10.286 10.214 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.374 -11.190 11.746 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.066 -10.015 11.469 1.00 0.00 H new ATOM 830 N PRO A 55 1.407 -12.127 8.301 1.00 0.00 N ATOM 831 CA PRO A 55 2.257 -11.706 7.184 1.00 0.00 C ATOM 832 C PRO A 55 1.731 -10.451 6.495 1.00 0.00 C ATOM 833 O PRO A 55 2.471 -9.491 6.282 1.00 0.00 O ATOM 834 CB PRO A 55 2.209 -12.900 6.229 1.00 0.00 C ATOM 835 CG PRO A 55 1.901 -14.070 7.099 1.00 0.00 C ATOM 836 CD PRO A 55 1.019 -13.546 8.197 1.00 0.00 C ATOM 0 HA PRO A 55 3.263 -11.448 7.514 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.445 -12.764 5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.159 -13.031 5.711 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.397 -14.855 6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.814 -14.506 7.506 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.037 -13.657 7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.185 -14.078 9.134 1.00 0.00 H new ATOM 844 N SER A 56 0.448 -10.468 6.149 1.00 0.00 N ATOM 845 CA SER A 56 -0.179 -9.331 5.484 1.00 0.00 C ATOM 846 C SER A 56 -0.102 -8.080 6.353 1.00 0.00 C ATOM 847 O SER A 56 0.160 -6.984 5.858 1.00 0.00 O ATOM 848 CB SER A 56 -1.639 -9.649 5.154 1.00 0.00 C ATOM 849 OG SER A 56 -2.192 -10.547 6.100 1.00 0.00 O ATOM 0 H SER A 56 -0.178 -11.256 6.318 1.00 0.00 H new ATOM 0 HA SER A 56 0.363 -9.140 4.558 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.221 -8.727 5.140 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.703 -10.082 4.156 1.00 0.00 H new ATOM 0 HG SER A 56 -3.126 -10.733 5.868 1.00 0.00 H new ATOM 855 N LYS A 57 -0.332 -8.252 7.650 1.00 0.00 N ATOM 856 CA LYS A 57 -0.288 -7.135 8.588 1.00 0.00 C ATOM 857 C LYS A 57 1.139 -6.629 8.766 1.00 0.00 C ATOM 858 O LYS A 57 1.390 -5.424 8.743 1.00 0.00 O ATOM 859 CB LYS A 57 -0.865 -7.555 9.941 1.00 0.00 C ATOM 860 CG LYS A 57 -1.634 -6.448 10.644 1.00 0.00 C ATOM 861 CD LYS A 57 -2.517 -6.999 11.752 1.00 0.00 C ATOM 862 CE LYS A 57 -3.722 -7.735 11.190 1.00 0.00 C ATOM 863 NZ LYS A 57 -4.771 -7.956 12.224 1.00 0.00 N ATOM 0 H LYS A 57 -0.551 -9.153 8.076 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.892 -6.326 8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.526 -8.409 9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.052 -7.887 10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.933 -5.725 11.062 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.249 -5.914 9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.936 -7.675 12.379 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.854 -6.182 12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.143 -7.164 10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.404 -8.696 10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.575 -8.461 11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.378 -8.523 13.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.094 -7.039 12.593 1.00 0.00 H new ATOM 877 N THR A 58 2.073 -7.558 8.943 1.00 0.00 N ATOM 878 CA THR A 58 3.477 -7.207 9.125 1.00 0.00 C ATOM 879 C THR A 58 4.006 -6.439 7.918 1.00 0.00 C ATOM 880 O THR A 58 4.888 -5.589 8.048 1.00 0.00 O ATOM 881 CB THR A 58 4.314 -8.467 9.351 1.00 0.00 C ATOM 882 OG1 THR A 58 3.673 -9.339 10.264 1.00 0.00 O ATOM 883 CG2 THR A 58 5.699 -8.177 9.887 1.00 0.00 C ATOM 0 H THR A 58 1.883 -8.560 8.964 1.00 0.00 H new ATOM 0 HA THR A 58 3.555 -6.566 10.003 1.00 0.00 H new ATOM 0 HB THR A 58 4.412 -8.928 8.368 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.054 -9.923 9.779 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.239 -9.114 10.025 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.238 -7.547 9.179 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.618 -7.661 10.844 1.00 0.00 H new ATOM 891 N LEU A 59 3.464 -6.745 6.744 1.00 0.00 N ATOM 892 CA LEU A 59 3.883 -6.083 5.513 1.00 0.00 C ATOM 893 C LEU A 59 3.610 -4.584 5.581 1.00 0.00 C ATOM 894 O LEU A 59 4.508 -3.770 5.365 1.00 0.00 O ATOM 895 CB LEU A 59 3.157 -6.692 4.311 1.00 0.00 C ATOM 896 CG LEU A 59 3.817 -6.431 2.957 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.124 -7.201 2.843 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.874 -6.809 1.825 1.00 0.00 C ATOM 0 H LEU A 59 2.734 -7.447 6.619 1.00 0.00 H new ATOM 0 HA LEU A 59 4.956 -6.233 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.081 -7.769 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.140 -6.301 4.284 1.00 0.00 H new ATOM 0 HG LEU A 59 4.038 -5.366 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.580 -7.003 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.803 -6.884 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.927 -8.269 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.359 -6.617 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.623 -7.867 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.963 -6.214 1.896 1.00 0.00 H new ATOM 910 N MET A 60 2.366 -4.227 5.883 1.00 0.00 N ATOM 911 CA MET A 60 1.975 -2.825 5.978 1.00 0.00 C ATOM 912 C MET A 60 2.783 -2.105 7.054 1.00 0.00 C ATOM 913 O MET A 60 3.041 -0.906 6.953 1.00 0.00 O ATOM 914 CB MET A 60 0.481 -2.711 6.284 1.00 0.00 C ATOM 915 CG MET A 60 -0.408 -2.964 5.078 1.00 0.00 C ATOM 916 SD MET A 60 -0.261 -1.677 3.825 1.00 0.00 S ATOM 917 CE MET A 60 -1.762 -1.946 2.884 1.00 0.00 C ATOM 0 H MET A 60 1.612 -4.889 6.066 1.00 0.00 H new ATOM 0 HA MET A 60 2.180 -2.351 5.018 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.224 -3.422 7.070 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.274 -1.715 6.675 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.150 -3.927 4.637 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.446 -3.031 5.404 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.534 -1.914 1.819 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.180 -2.920 3.136 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.486 -1.167 3.124 1.00 0.00 H new ATOM 927 N ASP A 61 3.181 -2.846 8.084 1.00 0.00 N ATOM 928 CA ASP A 61 3.959 -2.278 9.177 1.00 0.00 C ATOM 929 C ASP A 61 5.379 -1.952 8.723 1.00 0.00 C ATOM 930 O ASP A 61 6.004 -1.019 9.227 1.00 0.00 O ATOM 931 CB ASP A 61 3.996 -3.247 10.362 1.00 0.00 C ATOM 932 CG ASP A 61 3.216 -2.732 11.555 1.00 0.00 C ATOM 933 OD1 ASP A 61 1.969 -2.705 11.483 1.00 0.00 O ATOM 934 OD2 ASP A 61 3.851 -2.354 12.562 1.00 0.00 O ATOM 0 H ASP A 61 2.977 -3.840 8.183 1.00 0.00 H new ATOM 0 HA ASP A 61 3.477 -1.352 9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.589 -4.210 10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.032 -3.418 10.655 1.00 0.00 H new ATOM 939 N ASN A 62 5.883 -2.728 7.770 1.00 0.00 N ATOM 940 CA ASN A 62 7.229 -2.521 7.249 1.00 0.00 C ATOM 941 C ASN A 62 7.218 -1.530 6.089 1.00 0.00 C ATOM 942 O ASN A 62 8.184 -0.797 5.876 1.00 0.00 O ATOM 943 CB ASN A 62 7.832 -3.850 6.792 1.00 0.00 C ATOM 944 CG ASN A 62 8.488 -4.608 7.929 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.701 -4.819 7.931 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.687 -5.024 8.903 1.00 0.00 N ATOM 0 H ASN A 62 5.380 -3.506 7.343 1.00 0.00 H new ATOM 0 HA ASN A 62 7.841 -2.108 8.051 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.050 -4.468 6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.569 -3.662 6.011 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.072 -5.541 9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.687 -4.827 8.860 1.00 0.00 H new ATOM 953 N TYR A 63 6.120 -1.513 5.341 1.00 0.00 N ATOM 954 CA TYR A 63 5.984 -0.613 4.202 1.00 0.00 C ATOM 955 C TYR A 63 5.752 0.821 4.665 1.00 0.00 C ATOM 956 O TYR A 63 6.216 1.770 4.033 1.00 0.00 O ATOM 957 CB TYR A 63 4.831 -1.065 3.304 1.00 0.00 C ATOM 958 CG TYR A 63 5.007 -0.681 1.852 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.222 -0.871 1.206 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.958 -0.128 1.128 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.387 -0.522 -0.122 1.00 0.00 C ATOM 962 CE2 TYR A 63 4.115 0.225 -0.199 1.00 0.00 C ATOM 963 CZ TYR A 63 5.331 0.026 -0.819 1.00 0.00 C ATOM 964 OH TYR A 63 5.490 0.375 -2.140 1.00 0.00 O ATOM 0 H TYR A 63 5.311 -2.113 5.503 1.00 0.00 H new ATOM 0 HA TYR A 63 6.913 -0.645 3.633 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.730 -2.148 3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.902 -0.633 3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.051 -1.298 1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.004 0.029 1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.338 -0.678 -0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.290 0.654 -0.748 1.00 0.00 H new ATOM 0 HH TYR A 63 4.651 0.746 -2.484 1.00 0.00 H new ATOM 974 N GLU A 64 5.029 0.971 5.770 1.00 0.00 N ATOM 975 CA GLU A 64 4.734 2.291 6.318 1.00 0.00 C ATOM 976 C GLU A 64 6.014 2.998 6.752 1.00 0.00 C ATOM 977 O GLU A 64 6.239 4.160 6.411 1.00 0.00 O ATOM 978 CB GLU A 64 3.776 2.171 7.504 1.00 0.00 C ATOM 979 CG GLU A 64 3.197 3.503 7.954 1.00 0.00 C ATOM 980 CD GLU A 64 1.889 3.346 8.704 1.00 0.00 C ATOM 981 OE1 GLU A 64 1.067 2.499 8.293 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.686 4.068 9.702 1.00 0.00 O ATOM 0 H GLU A 64 4.636 0.195 6.304 1.00 0.00 H new ATOM 0 HA GLU A 64 4.260 2.884 5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.959 1.501 7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.302 1.711 8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.919 4.012 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.038 4.139 7.083 1.00 0.00 H new ATOM 989 N VAL A 65 6.849 2.292 7.507 1.00 0.00 N ATOM 990 CA VAL A 65 8.105 2.851 7.987 1.00 0.00 C ATOM 991 C VAL A 65 9.098 3.044 6.844 1.00 0.00 C ATOM 992 O VAL A 65 10.004 3.874 6.929 1.00 0.00 O ATOM 993 CB VAL A 65 8.746 1.953 9.063 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.941 2.646 9.702 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.718 1.567 10.116 1.00 0.00 C ATOM 0 H VAL A 65 6.677 1.330 7.799 1.00 0.00 H new ATOM 0 HA VAL A 65 7.870 3.821 8.426 1.00 0.00 H new ATOM 0 HB VAL A 65 9.102 1.042 8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.378 1.994 10.458 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.686 2.865 8.937 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.616 3.576 10.168 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.188 0.933 10.868 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.329 2.467 10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.899 1.024 9.644 1.00 0.00 H new ATOM 1005 N SER A 66 8.923 2.273 5.774 1.00 0.00 N ATOM 1006 CA SER A 66 9.806 2.363 4.616 1.00 0.00 C ATOM 1007 C SER A 66 9.202 3.256 3.536 1.00 0.00 C ATOM 1008 O SER A 66 9.402 3.024 2.344 1.00 0.00 O ATOM 1009 CB SER A 66 10.078 0.969 4.048 1.00 0.00 C ATOM 1010 OG SER A 66 8.945 0.467 3.361 1.00 0.00 O ATOM 0 H SER A 66 8.179 1.581 5.685 1.00 0.00 H new ATOM 0 HA SER A 66 10.747 2.806 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.930 1.010 3.369 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.347 0.290 4.857 1.00 0.00 H new ATOM 0 HG SER A 66 9.146 -0.424 3.007 1.00 0.00 H new ATOM 1016 N GLY A 67 8.464 4.276 3.961 1.00 0.00 N ATOM 1017 CA GLY A 67 7.845 5.188 3.017 1.00 0.00 C ATOM 1018 C GLY A 67 6.897 4.483 2.065 1.00 0.00 C ATOM 1019 O GLY A 67 7.271 4.147 0.942 1.00 0.00 O ATOM 0 H GLY A 67 8.283 4.487 4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.300 5.957 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.621 5.694 2.443 1.00 0.00 H new ATOM 1023 N GLY A 68 5.666 4.262 2.515 1.00 0.00 N ATOM 1024 CA GLY A 68 4.681 3.597 1.684 1.00 0.00 C ATOM 1025 C GLY A 68 3.642 4.555 1.136 1.00 0.00 C ATOM 1026 O GLY A 68 2.969 5.252 1.896 1.00 0.00 O ATOM 0 H GLY A 68 5.334 4.532 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.185 3.100 0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.184 2.821 2.266 1.00 0.00 H new ATOM 1030 N THR A 69 3.510 4.590 -0.185 1.00 0.00 N ATOM 1031 CA THR A 69 2.545 5.472 -0.834 1.00 0.00 C ATOM 1032 C THR A 69 1.368 4.676 -1.390 1.00 0.00 C ATOM 1033 O THR A 69 1.424 3.450 -1.483 1.00 0.00 O ATOM 1034 CB THR A 69 3.219 6.261 -1.958 1.00 0.00 C ATOM 1035 OG1 THR A 69 3.571 5.405 -3.030 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.473 6.983 -1.513 1.00 0.00 C ATOM 0 H THR A 69 4.058 4.019 -0.828 1.00 0.00 H new ATOM 0 HA THR A 69 2.168 6.169 -0.086 1.00 0.00 H new ATOM 0 HB THR A 69 2.485 7.003 -2.272 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.696 5.935 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.901 7.523 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.225 7.688 -0.720 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.197 6.259 -1.141 1.00 0.00 H new ATOM 1044 N VAL A 70 0.305 5.382 -1.757 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.885 4.742 -2.305 1.00 0.00 C ATOM 1046 C VAL A 70 -0.730 4.480 -3.798 1.00 0.00 C ATOM 1047 O VAL A 70 -1.259 3.501 -4.326 1.00 0.00 O ATOM 1048 CB VAL A 70 -2.142 5.602 -2.073 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.395 4.833 -2.464 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -2.217 6.059 -0.625 1.00 0.00 C ATOM 0 H VAL A 70 0.243 6.398 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.002 3.792 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.076 6.487 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.273 5.456 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.342 4.563 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.470 3.928 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.111 6.665 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.259 5.188 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.334 6.652 -0.384 1.00 0.00 H new ATOM 1060 N ARG A 71 -0.003 5.362 -4.477 1.00 0.00 N ATOM 1061 CA ARG A 71 0.222 5.228 -5.911 1.00 0.00 C ATOM 1062 C ARG A 71 0.900 3.898 -6.234 1.00 0.00 C ATOM 1063 O ARG A 71 0.685 3.324 -7.302 1.00 0.00 O ATOM 1064 CB ARG A 71 1.075 6.389 -6.426 1.00 0.00 C ATOM 1065 CG ARG A 71 0.489 7.080 -7.646 1.00 0.00 C ATOM 1066 CD ARG A 71 0.756 8.576 -7.622 1.00 0.00 C ATOM 1067 NE ARG A 71 0.374 9.222 -8.875 1.00 0.00 N ATOM 1068 CZ ARG A 71 1.091 9.150 -9.994 1.00 0.00 C ATOM 1069 NH1 ARG A 71 2.227 8.464 -10.020 1.00 0.00 N ATOM 1070 NH2 ARG A 71 0.672 9.768 -11.090 1.00 0.00 N ATOM 0 H ARG A 71 0.441 6.178 -4.056 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.747 5.251 -6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.197 7.121 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.070 6.017 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.917 6.648 -8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.586 6.902 -7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.205 9.029 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.815 8.752 -7.432 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.493 9.760 -8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.555 7.988 -9.179 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.772 8.412 -10.881 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.199 10.298 -11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.221 9.713 -11.948 1.00 0.00 H new ATOM 1084 N GLU A 72 1.718 3.416 -5.306 1.00 0.00 N ATOM 1085 CA GLU A 72 2.427 2.155 -5.491 1.00 0.00 C ATOM 1086 C GLU A 72 1.543 0.972 -5.108 1.00 0.00 C ATOM 1087 O GLU A 72 1.665 -0.115 -5.672 1.00 0.00 O ATOM 1088 CB GLU A 72 3.710 2.139 -4.659 1.00 0.00 C ATOM 1089 CG GLU A 72 4.740 3.162 -5.109 1.00 0.00 C ATOM 1090 CD GLU A 72 6.162 2.718 -4.828 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.450 1.513 -4.981 1.00 0.00 O ATOM 1092 OE2 GLU A 72 6.989 3.578 -4.455 1.00 0.00 O ATOM 0 H GLU A 72 1.907 3.879 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 72 2.686 2.065 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.458 2.324 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.153 1.144 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.624 3.343 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.552 4.109 -4.603 1.00 0.00 H new ATOM 1099 N LEU A 73 0.654 1.193 -4.145 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.250 0.144 -3.685 1.00 0.00 C ATOM 1101 C LEU A 73 -1.245 -0.234 -4.777 1.00 0.00 C ATOM 1102 O LEU A 73 -1.551 -1.411 -4.971 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.998 0.602 -2.431 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.594 -0.525 -1.586 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.504 -1.482 -1.129 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.343 0.045 -0.392 1.00 0.00 C ATOM 0 H LEU A 73 0.540 2.088 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 73 0.346 -0.736 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.314 1.179 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.801 1.275 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.302 -1.081 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.946 -2.277 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.012 -1.915 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.228 -0.940 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.761 -0.770 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.657 0.625 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.149 0.689 -0.742 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.748 0.770 -5.488 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.709 0.542 -6.560 1.00 0.00 C ATOM 1120 C VAL A 74 -2.070 -0.219 -7.717 1.00 0.00 C ATOM 1121 O VAL A 74 -2.652 -1.166 -8.246 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.287 1.867 -7.091 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.421 1.603 -8.068 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.758 2.743 -5.938 1.00 0.00 C ATOM 0 H VAL A 74 -1.506 1.750 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.518 -0.054 -6.137 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.499 2.399 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.816 2.552 -8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.048 1.019 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.213 1.049 -7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.163 3.675 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.531 2.220 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.917 2.962 -5.280 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.870 0.200 -8.103 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.151 -0.443 -9.196 1.00 0.00 C ATOM 1136 C GLU A 75 0.220 -1.878 -8.835 1.00 0.00 C ATOM 1137 O GLU A 75 0.112 -2.784 -9.660 1.00 0.00 O ATOM 1138 CB GLU A 75 1.111 0.352 -9.541 1.00 0.00 C ATOM 1139 CG GLU A 75 0.912 1.347 -10.673 1.00 0.00 C ATOM 1140 CD GLU A 75 2.140 2.204 -10.918 1.00 0.00 C ATOM 1141 OE1 GLU A 75 3.258 1.648 -10.939 1.00 0.00 O ATOM 1142 OE2 GLU A 75 1.982 3.431 -11.090 1.00 0.00 O ATOM 0 H GLU A 75 -0.375 0.982 -7.675 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.807 -0.466 -10.066 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.448 0.887 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.905 -0.343 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.662 0.807 -11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.064 1.991 -10.441 1.00 0.00 H new ATOM 1149 N ALA A 76 0.656 -2.076 -7.596 1.00 0.00 N ATOM 1150 CA ALA A 76 1.042 -3.400 -7.124 1.00 0.00 C ATOM 1151 C ALA A 76 -0.135 -4.369 -7.188 1.00 0.00 C ATOM 1152 O ALA A 76 0.032 -5.544 -7.516 1.00 0.00 O ATOM 1153 CB ALA A 76 1.584 -3.318 -5.705 1.00 0.00 C ATOM 0 H ALA A 76 0.751 -1.336 -6.900 1.00 0.00 H new ATOM 0 HA ALA A 76 1.827 -3.778 -7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.868 -4.314 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.457 -2.666 -5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.816 -2.915 -5.045 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.324 -3.867 -6.871 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.530 -4.688 -6.891 1.00 0.00 C ATOM 1161 C LEU A 77 -2.928 -5.032 -8.322 1.00 0.00 C ATOM 1162 O LEU A 77 -3.468 -6.107 -8.586 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.678 -3.961 -6.189 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.479 -3.731 -4.691 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.412 -2.639 -4.191 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.706 -5.023 -3.920 1.00 0.00 C ATOM 0 H LEU A 77 -1.479 -2.897 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.319 -5.616 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.826 -2.995 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.594 -4.534 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.452 -3.407 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.257 -2.489 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.203 -1.710 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.446 -2.934 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.560 -4.842 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.723 -5.376 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.998 -5.779 -4.260 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.661 -4.112 -9.243 1.00 0.00 N ATOM 1179 CA ARG A 78 -2.994 -4.318 -10.648 1.00 0.00 C ATOM 1180 C ARG A 78 -2.043 -5.322 -11.291 1.00 0.00 C ATOM 1181 O ARG A 78 -2.432 -6.078 -12.181 1.00 0.00 O ATOM 1182 CB ARG A 78 -2.939 -2.989 -11.406 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.018 -2.849 -12.467 1.00 0.00 C ATOM 1184 CD ARG A 78 -3.876 -1.548 -13.238 1.00 0.00 C ATOM 1185 NE ARG A 78 -4.535 -1.607 -14.541 1.00 0.00 N ATOM 1186 CZ ARG A 78 -4.040 -2.256 -15.592 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -2.882 -2.899 -15.501 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -4.705 -2.262 -16.740 1.00 0.00 N ATOM 0 H ARG A 78 -2.215 -3.217 -9.042 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.006 -4.718 -10.701 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.033 -2.170 -10.693 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.962 -2.890 -11.878 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.962 -3.690 -13.158 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.000 -2.889 -11.996 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.302 -0.732 -12.654 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.819 -1.323 -13.377 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.426 -1.123 -14.651 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.366 -2.898 -14.621 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.509 -3.394 -16.311 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.595 -1.769 -16.816 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.326 -2.759 -17.546 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.795 -5.326 -10.833 1.00 0.00 N ATOM 1203 CA GLN A 79 0.210 -6.239 -11.363 1.00 0.00 C ATOM 1204 C GLN A 79 -0.161 -7.688 -11.067 1.00 0.00 C ATOM 1205 O GLN A 79 0.035 -8.573 -11.900 1.00 0.00 O ATOM 1206 CB GLN A 79 1.583 -5.920 -10.769 1.00 0.00 C ATOM 1207 CG GLN A 79 2.232 -4.681 -11.367 1.00 0.00 C ATOM 1208 CD GLN A 79 3.687 -4.537 -10.969 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.456 -5.496 -11.023 1.00 0.00 O ATOM 1210 NE2 GLN A 79 4.073 -3.331 -10.567 1.00 0.00 N ATOM 0 H GLN A 79 -0.456 -4.707 -10.096 1.00 0.00 H new ATOM 0 HA GLN A 79 0.250 -6.107 -12.444 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.481 -5.783 -9.692 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.243 -6.774 -10.920 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.159 -4.725 -12.454 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.682 -3.796 -11.046 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.401 -2.564 -10.538 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.041 -3.172 -10.288 1.00 0.00 H new ATOM 1219 N MET A 80 -0.699 -7.923 -9.874 1.00 0.00 N ATOM 1220 CA MET A 80 -1.099 -9.265 -9.468 1.00 0.00 C ATOM 1221 C MET A 80 -2.444 -9.640 -10.081 1.00 0.00 C ATOM 1222 O MET A 80 -2.651 -10.779 -10.502 1.00 0.00 O ATOM 1223 CB MET A 80 -1.178 -9.356 -7.942 1.00 0.00 C ATOM 1224 CG MET A 80 0.178 -9.306 -7.259 1.00 0.00 C ATOM 1225 SD MET A 80 0.123 -8.458 -5.668 1.00 0.00 S ATOM 1226 CE MET A 80 -0.613 -9.723 -4.634 1.00 0.00 C ATOM 0 H MET A 80 -0.868 -7.202 -9.173 1.00 0.00 H new ATOM 0 HA MET A 80 -0.347 -9.967 -9.829 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.794 -8.538 -7.569 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.680 -10.284 -7.667 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.544 -10.322 -7.112 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.891 -8.801 -7.911 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.574 -9.372 -4.257 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.763 -10.630 -5.220 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.049 -9.938 -3.795 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.357 -8.675 -10.129 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.672 -8.923 -10.693 1.00 0.00 C ATOM 1238 C GLY A 81 -5.780 -8.772 -9.670 1.00 0.00 C ATOM 1239 O GLY A 81 -6.784 -9.482 -9.725 1.00 0.00 O ATOM 0 H GLY A 81 -3.210 -7.725 -9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.846 -8.232 -11.518 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.701 -9.930 -11.110 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.598 -7.846 -8.735 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.592 -7.603 -7.695 1.00 0.00 C ATOM 1245 C TYR A 82 -7.609 -6.562 -8.147 1.00 0.00 C ATOM 1246 O TYR A 82 -7.245 -5.474 -8.594 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.908 -7.143 -6.405 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.750 -8.241 -5.377 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.847 -8.977 -4.945 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.505 -8.541 -4.840 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.707 -9.981 -4.006 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.357 -9.544 -3.901 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.460 -10.261 -3.487 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.316 -11.260 -2.552 1.00 0.00 O ATOM 0 H TYR A 82 -4.772 -7.251 -8.676 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.119 -8.538 -7.504 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.925 -6.741 -6.649 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.486 -6.329 -5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.825 -8.761 -5.350 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.639 -7.982 -5.161 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.569 -10.544 -3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.382 -9.765 -3.493 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.127 -11.316 -2.005 1.00 0.00 H new ATOM 1264 N THR A 83 -8.889 -6.902 -8.027 1.00 0.00 N ATOM 1265 CA THR A 83 -9.961 -5.996 -8.424 1.00 0.00 C ATOM 1266 C THR A 83 -10.653 -5.403 -7.200 1.00 0.00 C ATOM 1267 O THR A 83 -11.104 -4.257 -7.226 1.00 0.00 O ATOM 1268 CB THR A 83 -10.982 -6.732 -9.293 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.330 -7.597 -10.207 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.869 -5.803 -10.094 1.00 0.00 C ATOM 0 H THR A 83 -9.209 -7.798 -7.658 1.00 0.00 H new ATOM 0 HA THR A 83 -9.521 -5.183 -9.001 1.00 0.00 H new ATOM 0 HB THR A 83 -11.606 -7.290 -8.595 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.999 -8.060 -10.753 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.569 -6.391 -10.688 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.423 -5.155 -9.416 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.254 -5.194 -10.756 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.733 -6.188 -6.132 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.370 -5.739 -4.899 1.00 0.00 C ATOM 1280 C GLU A 84 -10.454 -4.797 -4.125 1.00 0.00 C ATOM 1281 O GLU A 84 -10.894 -3.768 -3.614 1.00 0.00 O ATOM 1282 CB GLU A 84 -11.744 -6.939 -4.027 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.205 -7.346 -4.145 1.00 0.00 C ATOM 1284 CD GLU A 84 -13.738 -7.982 -2.876 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -13.436 -9.169 -2.636 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.459 -7.292 -2.125 1.00 0.00 O ATOM 0 H GLU A 84 -10.365 -7.139 -6.095 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.277 -5.196 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.116 -7.787 -4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.524 -6.703 -2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.804 -6.468 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.317 -8.046 -4.973 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.176 -5.157 -4.043 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.196 -4.345 -3.331 1.00 0.00 C ATOM 1295 C ALA A 85 -8.128 -2.934 -3.907 1.00 0.00 C ATOM 1296 O ALA A 85 -8.009 -1.956 -3.168 1.00 0.00 O ATOM 1297 CB ALA A 85 -6.827 -5.005 -3.384 1.00 0.00 C ATOM 0 H ALA A 85 -8.796 -6.006 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.511 -4.269 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.105 -4.388 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.879 -5.989 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.514 -5.111 -4.423 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.205 -2.836 -5.229 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.152 -1.546 -5.905 1.00 0.00 C ATOM 1305 C ILE A 86 -9.429 -0.748 -5.667 1.00 0.00 C ATOM 1306 O ILE A 86 -9.410 0.483 -5.653 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.937 -1.712 -7.421 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.757 -2.647 -7.693 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.708 -0.358 -8.076 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.505 -2.890 -9.165 1.00 0.00 C ATOM 0 H ILE A 86 -8.304 -3.636 -5.854 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.305 -1.004 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.834 -2.156 -7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.858 -2.225 -7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.940 -3.602 -7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.558 -0.493 -9.147 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.577 0.279 -7.909 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.825 0.111 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.654 -3.561 -9.283 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.389 -3.341 -9.616 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.290 -1.942 -9.659 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.538 -1.456 -5.482 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.826 -0.811 -5.245 1.00 0.00 C ATOM 1324 C GLU A 87 -11.911 -0.271 -3.821 1.00 0.00 C ATOM 1325 O GLU A 87 -12.573 0.734 -3.567 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.967 -1.798 -5.497 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.046 -2.283 -6.935 1.00 0.00 C ATOM 1328 CD GLU A 87 -13.988 -1.450 -7.781 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -13.645 -0.287 -8.081 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.069 -1.960 -8.144 1.00 0.00 O ATOM 0 H GLU A 87 -10.572 -2.475 -5.491 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.918 0.026 -5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.844 -2.658 -4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.912 -1.324 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.050 -2.260 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.376 -3.322 -6.946 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.236 -0.947 -2.896 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.237 -0.535 -1.498 1.00 0.00 C ATOM 1339 C VAL A 88 -10.521 0.800 -1.316 1.00 0.00 C ATOM 1340 O VAL A 88 -10.878 1.593 -0.444 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.561 -1.590 -0.601 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.753 -1.243 0.868 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.105 -2.979 -0.905 1.00 0.00 C ATOM 0 H VAL A 88 -10.682 -1.781 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.281 -0.429 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.492 -1.590 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.269 -1.999 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.310 -0.268 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.818 -1.213 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.616 -3.710 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.179 -2.997 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.910 -3.226 -1.949 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.511 1.042 -2.145 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.746 2.281 -2.075 1.00 0.00 C ATOM 1355 C ILE A 89 -9.417 3.388 -2.883 1.00 0.00 C ATOM 1356 O ILE A 89 -9.645 4.487 -2.378 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.306 2.084 -2.589 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.656 0.879 -1.905 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.481 3.341 -2.354 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.596 0.205 -2.749 1.00 0.00 C ATOM 0 H ILE A 89 -9.204 0.397 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.711 2.572 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.344 1.893 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.209 1.202 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.429 0.151 -1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.467 3.185 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.935 4.178 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.449 3.561 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.178 -0.640 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.042 -0.149 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.803 0.918 -2.975 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.731 3.089 -4.139 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.375 4.058 -5.018 1.00 0.00 C ATOM 1374 C GLN A 90 -11.712 4.515 -4.440 1.00 0.00 C ATOM 1375 O GLN A 90 -12.160 5.631 -4.697 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.586 3.457 -6.408 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.420 3.692 -7.356 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.697 3.185 -8.757 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -8.826 2.315 -9.255 1.00 0.00 O flip ATOM 1380 NE2 GLN A 90 -10.682 3.571 -9.387 1.00 0.00 N flip ATOM 0 H GLN A 90 -9.550 2.183 -4.571 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.720 4.926 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.753 2.384 -6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.490 3.881 -6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.199 4.759 -7.397 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.532 3.197 -6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.326 4.241 -8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.854 3.221 -10.330 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.343 3.644 -3.659 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.628 3.960 -3.047 1.00 0.00 C ATOM 1391 C ALA A 91 -13.511 5.158 -2.110 1.00 0.00 C ATOM 1392 O ALA A 91 -14.331 6.074 -2.153 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.165 2.752 -2.296 1.00 0.00 C ATOM 0 H ALA A 91 -11.986 2.715 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.327 4.221 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.125 3.002 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.296 1.921 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.460 2.466 -1.516 1.00 0.00 H new ATOM 1399 N ALA A 92 -12.486 5.143 -1.263 1.00 0.00 N ATOM 1400 CA ALA A 92 -12.262 6.227 -0.316 1.00 0.00 C ATOM 1401 C ALA A 92 -11.450 7.352 -0.948 1.00 0.00 C ATOM 1402 O ALA A 92 -11.717 8.531 -0.715 1.00 0.00 O ATOM 1403 CB ALA A 92 -11.560 5.703 0.928 1.00 0.00 C ATOM 0 H ALA A 92 -11.798 4.391 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 92 -13.233 6.632 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.399 6.523 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.178 4.940 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.599 5.270 0.649 1.00 0.00 H new ATOM 1409 N SER A 93 -10.457 6.979 -1.749 1.00 0.00 N ATOM 1410 CA SER A 93 -9.603 7.957 -2.415 1.00 0.00 C ATOM 1411 C SER A 93 -10.222 8.415 -3.732 1.00 0.00 C ATOM 1412 O SER A 93 -11.241 7.881 -4.169 1.00 0.00 O ATOM 1413 CB SER A 93 -8.215 7.364 -2.665 1.00 0.00 C ATOM 1414 OG SER A 93 -7.207 8.139 -2.039 1.00 0.00 O ATOM 0 H SER A 93 -10.224 6.007 -1.953 1.00 0.00 H new ATOM 0 HA SER A 93 -9.507 8.824 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.180 6.342 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.026 7.314 -3.737 1.00 0.00 H new ATOM 0 HG SER A 93 -6.330 7.737 -2.213 1.00 0.00 H new ATOM 1420 N SER A 94 -9.598 9.407 -4.359 1.00 0.00 N ATOM 1421 CA SER A 94 -10.085 9.938 -5.627 1.00 0.00 C ATOM 1422 C SER A 94 -11.502 10.486 -5.482 1.00 0.00 C ATOM 1423 O SER A 94 -12.189 10.208 -4.499 1.00 0.00 O ATOM 1424 CB SER A 94 -10.055 8.852 -6.704 1.00 0.00 C ATOM 1425 OG SER A 94 -9.675 9.389 -7.959 1.00 0.00 O ATOM 0 H SER A 94 -8.753 9.860 -4.009 1.00 0.00 H new ATOM 0 HA SER A 94 -9.428 10.755 -5.925 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.356 8.067 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.038 8.389 -6.786 1.00 0.00 H new ATOM 0 HG SER A 94 -9.662 8.675 -8.630 1.00 0.00 H new ATOM 1431 N SER A 95 -11.931 11.267 -6.469 1.00 0.00 N ATOM 1432 CA SER A 95 -13.266 11.855 -6.454 1.00 0.00 C ATOM 1433 C SER A 95 -13.527 12.642 -7.735 1.00 0.00 C ATOM 1434 O SER A 95 -12.616 12.875 -8.529 1.00 0.00 O ATOM 1435 CB SER A 95 -13.430 12.769 -5.238 1.00 0.00 C ATOM 1436 OG SER A 95 -12.239 13.492 -4.979 1.00 0.00 O ATOM 0 H SER A 95 -11.374 11.507 -7.289 1.00 0.00 H new ATOM 0 HA SER A 95 -13.993 11.045 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 95 -14.251 13.465 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.695 12.173 -4.364 1.00 0.00 H new ATOM 0 HG SER A 95 -12.370 14.070 -4.198 1.00 0.00 H new ATOM 1442 N GLY A 96 -14.777 13.050 -7.928 1.00 0.00 N ATOM 1443 CA GLY A 96 -15.136 13.806 -9.113 1.00 0.00 C ATOM 1444 C GLY A 96 -16.625 14.086 -9.195 1.00 0.00 C ATOM 1445 O GLY A 96 -17.356 13.368 -9.877 1.00 0.00 O ATOM 0 H GLY A 96 -15.548 12.870 -7.285 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.591 14.750 -9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -14.824 13.255 -10.000 1.00 0.00 H new ATOM 1449 N PRO A 97 -17.108 15.133 -8.505 1.00 0.00 N ATOM 1450 CA PRO A 97 -18.529 15.496 -8.511 1.00 0.00 C ATOM 1451 C PRO A 97 -18.974 16.073 -9.852 1.00 0.00 C ATOM 1452 O PRO A 97 -18.631 17.204 -10.196 1.00 0.00 O ATOM 1453 CB PRO A 97 -18.630 16.556 -7.412 1.00 0.00 C ATOM 1454 CG PRO A 97 -17.269 17.156 -7.342 1.00 0.00 C ATOM 1455 CD PRO A 97 -16.308 16.045 -7.665 1.00 0.00 C ATOM 0 HA PRO A 97 -19.171 14.631 -8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -19.382 17.307 -7.654 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.917 16.112 -6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.168 17.978 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -17.074 17.565 -6.351 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -15.431 16.414 -8.196 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -15.949 15.549 -6.763 1.00 0.00 H new ATOM 1463 N SER A 98 -19.739 15.289 -10.602 1.00 0.00 N ATOM 1464 CA SER A 98 -20.232 15.722 -11.905 1.00 0.00 C ATOM 1465 C SER A 98 -21.582 16.418 -11.771 1.00 0.00 C ATOM 1466 O SER A 98 -22.628 15.818 -12.020 1.00 0.00 O ATOM 1467 CB SER A 98 -20.353 14.527 -12.851 1.00 0.00 C ATOM 1468 OG SER A 98 -20.187 14.925 -14.201 1.00 0.00 O ATOM 0 H SER A 98 -20.032 14.350 -10.331 1.00 0.00 H new ATOM 0 HA SER A 98 -19.516 16.432 -12.319 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.603 13.779 -12.594 1.00 0.00 H new ATOM 0 HB3 SER A 98 -21.328 14.057 -12.725 1.00 0.00 H new ATOM 0 HG SER A 98 -20.267 14.142 -14.785 1.00 0.00 H new ATOM 1474 N SER A 99 -21.553 17.686 -11.374 1.00 0.00 N ATOM 1475 CA SER A 99 -22.775 18.463 -11.206 1.00 0.00 C ATOM 1476 C SER A 99 -23.694 17.815 -10.175 1.00 0.00 C ATOM 1477 O SER A 99 -24.917 17.897 -10.279 1.00 0.00 O ATOM 1478 CB SER A 99 -23.506 18.600 -12.543 1.00 0.00 C ATOM 1479 OG SER A 99 -22.599 18.885 -13.594 1.00 0.00 O ATOM 0 H SER A 99 -20.696 18.197 -11.163 1.00 0.00 H new ATOM 0 HA SER A 99 -22.499 19.455 -10.848 1.00 0.00 H new ATOM 0 HB2 SER A 99 -24.044 17.678 -12.763 1.00 0.00 H new ATOM 0 HB3 SER A 99 -24.249 19.394 -12.475 1.00 0.00 H new ATOM 0 HG SER A 99 -23.091 18.966 -14.438 1.00 0.00 H new ATOM 1485 N GLY A 100 -23.093 17.168 -9.180 1.00 0.00 N ATOM 1486 CA GLY A 100 -23.870 16.513 -8.145 1.00 0.00 C ATOM 1487 C GLY A 100 -23.489 16.977 -6.753 1.00 0.00 C ATOM 1488 O GLY A 100 -22.766 17.989 -6.642 1.00 0.00 O ATOM 1489 OXT GLY A 100 -23.913 16.328 -5.773 1.00 0.00 O ATOM 0 H GLY A 100 -22.082 17.086 -9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -24.929 16.708 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -23.729 15.435 -8.217 1.00 0.00 H new TER 1493 GLY A 100