USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 832 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 48 HIS :FLIP no HE2:sc= 0.367 F(o=-3.2,f=1.1) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -115:sc= 0.694 (180deg=0) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -110:sc= 0.00215 (180deg=0) USER MOD Set 2.2: A 31 GLN : amide:sc= -2.1 X(o=-4.5,f=-4.9!) USER MOD Set 2.3: A 109 SER OG : rot 103:sc= -2.38! USER MOD Set 3.1: A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 THR OG1 : rot 180:sc= -0.08 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -163:sc= -2.98! (180deg=-3.91!) USER MOD Single : A 7 SER OG : rot -120:sc= -2.67! USER MOD Single : A 12 LYS NZ :NH3+ -145:sc= -1.06 (180deg=-2.83!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 75:sc= -4.6! USER MOD Single : A 26 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.0596 (180deg=-0.411) USER MOD Single : A 32 MET CE :methyl -161:sc= 0 (180deg=-0.0828) USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.14) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= 0.996 (180deg=0.092!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 54:sc= 0.207 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.847) USER MOD Single : A 71 SER OG : rot 140:sc= -3.82! USER MOD Single : A 72 SER OG : rot 180:sc= 0.00446 USER MOD Single : A 78 SER OG : rot -1:sc= 1.17 USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= -0.0468 (180deg=-0.375) USER MOD Single : A 82 THR OG1 : rot 40:sc= 1.06 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 67:sc= 1.05 USER MOD Single : A 86 MET CE :methyl -164:sc= -8.35! (180deg=-9.39!) USER MOD Single : A 91 LYS NZ :NH3+ -170:sc= 1.16 (180deg=1.05) USER MOD Single : A 96 LYS NZ :NH3+ 171:sc= 0.65 (180deg=0.598) USER MOD Single : A 103 SER OG : rot 180:sc= -0.489 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.248 -12.873 7.550 1.00 0.00 N ATOM 2 CA SER A 1 5.598 -11.537 7.570 1.00 0.00 C ATOM 3 C SER A 1 6.123 -10.658 6.439 1.00 0.00 C ATOM 4 O SER A 1 6.991 -9.810 6.649 1.00 0.00 O ATOM 5 CB SER A 1 5.843 -10.851 8.915 1.00 0.00 C ATOM 6 OG SER A 1 5.325 -11.623 9.984 1.00 0.00 O ATOM 0 H1 SER A 1 5.874 -13.453 8.329 1.00 0.00 H new ATOM 0 H2 SER A 1 6.050 -13.342 6.643 1.00 0.00 H new ATOM 0 H3 SER A 1 7.276 -12.761 7.664 1.00 0.00 H new ATOM 0 HA SER A 1 4.527 -11.680 7.428 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.912 -10.697 9.059 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.376 -9.866 8.914 1.00 0.00 H new ATOM 0 HG SER A 1 5.496 -11.163 10.832 1.00 0.00 H new ATOM 14 N MET A 2 5.591 -10.866 5.239 1.00 0.00 N ATOM 15 CA MET A 2 6.006 -10.091 4.076 1.00 0.00 C ATOM 16 C MET A 2 7.497 -10.278 3.789 1.00 0.00 C ATOM 17 O MET A 2 8.098 -9.483 3.066 1.00 0.00 O ATOM 18 CB MET A 2 5.703 -8.608 4.293 1.00 0.00 C ATOM 19 CG MET A 2 4.231 -8.298 4.480 1.00 0.00 C ATOM 20 SD MET A 2 3.976 -6.690 5.253 1.00 0.00 S ATOM 21 CE MET A 2 4.955 -6.865 6.743 1.00 0.00 C ATOM 0 H MET A 2 4.872 -11.564 5.047 1.00 0.00 H new ATOM 0 HA MET A 2 5.443 -10.453 3.215 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.251 -8.261 5.169 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.077 -8.043 3.439 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.730 -8.319 3.512 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.772 -9.073 5.094 1.00 0.00 H new ATOM 0 HE1 MET A 2 4.667 -6.096 7.460 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.783 -7.850 7.178 1.00 0.00 H new ATOM 0 HE3 MET A 2 6.012 -6.756 6.499 1.00 0.00 H new ATOM 31 N THR A 3 8.089 -11.327 4.355 1.00 0.00 N ATOM 32 CA THR A 3 9.505 -11.603 4.148 1.00 0.00 C ATOM 33 C THR A 3 9.723 -12.370 2.850 1.00 0.00 C ATOM 34 O THR A 3 10.606 -12.036 2.059 1.00 0.00 O ATOM 35 CB THR A 3 10.100 -12.412 5.315 1.00 0.00 C ATOM 36 OG1 THR A 3 9.428 -13.672 5.431 1.00 0.00 O ATOM 37 CG2 THR A 3 9.980 -11.644 6.623 1.00 0.00 C ATOM 0 H THR A 3 7.611 -11.996 4.958 1.00 0.00 H new ATOM 0 HA THR A 3 10.012 -10.640 4.093 1.00 0.00 H new ATOM 0 HB THR A 3 11.157 -12.582 5.108 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.813 -14.181 6.174 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.407 -12.236 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.518 -10.699 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.929 -11.446 6.834 1.00 0.00 H new ATOM 45 N ASP A 4 8.911 -13.400 2.638 1.00 0.00 N ATOM 46 CA ASP A 4 9.004 -14.210 1.431 1.00 0.00 C ATOM 47 C ASP A 4 8.131 -13.618 0.332 1.00 0.00 C ATOM 48 O ASP A 4 8.466 -13.688 -0.851 1.00 0.00 O ATOM 49 CB ASP A 4 8.577 -15.650 1.721 1.00 0.00 C ATOM 50 CG ASP A 4 9.456 -16.316 2.761 1.00 0.00 C ATOM 51 OD1 ASP A 4 10.522 -16.848 2.386 1.00 0.00 O ATOM 52 OD2 ASP A 4 9.076 -16.309 3.951 1.00 0.00 O ATOM 0 H ASP A 4 8.181 -13.693 3.287 1.00 0.00 H new ATOM 0 HA ASP A 4 10.041 -14.214 1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.543 -15.657 2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.609 -16.228 0.798 1.00 0.00 H new ATOM 57 N LEU A 5 7.009 -13.034 0.739 1.00 0.00 N ATOM 58 CA LEU A 5 6.080 -12.419 -0.200 1.00 0.00 C ATOM 59 C LEU A 5 6.635 -11.093 -0.705 1.00 0.00 C ATOM 60 O LEU A 5 6.805 -10.893 -1.908 1.00 0.00 O ATOM 61 CB LEU A 5 4.727 -12.198 0.475 1.00 0.00 C ATOM 62 CG LEU A 5 4.163 -13.416 1.200 1.00 0.00 C ATOM 63 CD1 LEU A 5 3.648 -13.016 2.572 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.059 -14.064 0.379 1.00 0.00 C ATOM 0 H LEU A 5 6.721 -12.974 1.716 1.00 0.00 H new ATOM 0 HA LEU A 5 5.949 -13.087 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.823 -11.381 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.009 -11.878 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 5 4.962 -14.146 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.248 -13.893 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.465 -12.597 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.861 -12.270 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.670 -14.931 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.255 -13.345 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.460 -14.381 -0.584 1.00 0.00 H new ATOM 76 N LEU A 6 6.915 -10.187 0.227 1.00 0.00 N ATOM 77 CA LEU A 6 7.465 -8.880 -0.113 1.00 0.00 C ATOM 78 C LEU A 6 8.959 -8.846 0.163 1.00 0.00 C ATOM 79 O LEU A 6 9.473 -9.648 0.944 1.00 0.00 O ATOM 80 CB LEU A 6 6.788 -7.778 0.703 1.00 0.00 C ATOM 81 CG LEU A 6 5.285 -7.617 0.477 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.786 -6.347 1.137 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.967 -7.615 -1.010 1.00 0.00 C ATOM 0 H LEU A 6 6.769 -10.335 1.226 1.00 0.00 H new ATOM 0 HA LEU A 6 7.282 -8.709 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.959 -7.977 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.275 -6.830 0.474 1.00 0.00 H new ATOM 0 HG LEU A 6 4.771 -8.464 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.714 -6.246 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.981 -6.393 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.303 -5.488 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.892 -7.499 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.488 -6.788 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.292 -8.556 -1.453 1.00 0.00 H new ATOM 95 N SER A 7 9.655 -7.920 -0.479 1.00 0.00 N ATOM 96 CA SER A 7 11.087 -7.782 -0.274 1.00 0.00 C ATOM 97 C SER A 7 11.349 -6.946 0.977 1.00 0.00 C ATOM 98 O SER A 7 11.105 -5.740 0.990 1.00 0.00 O ATOM 99 CB SER A 7 11.737 -7.136 -1.498 1.00 0.00 C ATOM 100 OG SER A 7 10.824 -6.287 -2.171 1.00 0.00 O ATOM 0 H SER A 7 9.254 -7.257 -1.142 1.00 0.00 H new ATOM 0 HA SER A 7 11.526 -8.770 -0.136 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.612 -6.563 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.088 -7.911 -2.179 1.00 0.00 H new ATOM 0 HG SER A 7 10.700 -6.603 -3.090 1.00 0.00 H new ATOM 106 N ALA A 8 11.857 -7.594 2.024 1.00 0.00 N ATOM 107 CA ALA A 8 12.135 -6.913 3.286 1.00 0.00 C ATOM 108 C ALA A 8 13.145 -5.789 3.099 1.00 0.00 C ATOM 109 O ALA A 8 12.976 -4.691 3.631 1.00 0.00 O ATOM 110 CB ALA A 8 12.638 -7.908 4.322 1.00 0.00 C ATOM 0 H ALA A 8 12.084 -8.588 2.023 1.00 0.00 H new ATOM 0 HA ALA A 8 11.204 -6.471 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.841 -7.387 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 8 11.880 -8.673 4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.553 -8.377 3.961 1.00 0.00 H new ATOM 116 N GLU A 9 14.193 -6.069 2.339 1.00 0.00 N ATOM 117 CA GLU A 9 15.228 -5.082 2.074 1.00 0.00 C ATOM 118 C GLU A 9 14.647 -3.889 1.318 1.00 0.00 C ATOM 119 O GLU A 9 15.092 -2.754 1.486 1.00 0.00 O ATOM 120 CB GLU A 9 16.361 -5.720 1.264 1.00 0.00 C ATOM 121 CG GLU A 9 17.359 -4.715 0.719 1.00 0.00 C ATOM 122 CD GLU A 9 18.083 -3.962 1.817 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.545 -2.939 2.288 1.00 0.00 O ATOM 124 OE2 GLU A 9 19.186 -4.396 2.207 1.00 0.00 O ATOM 0 H GLU A 9 14.349 -6.974 1.894 1.00 0.00 H new ATOM 0 HA GLU A 9 15.626 -4.727 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.887 -6.437 1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.932 -6.280 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.088 -5.233 0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.840 -4.004 0.077 1.00 0.00 H new ATOM 131 N ASP A 10 13.648 -4.165 0.493 1.00 0.00 N ATOM 132 CA ASP A 10 12.999 -3.137 -0.310 1.00 0.00 C ATOM 133 C ASP A 10 12.095 -2.244 0.533 1.00 0.00 C ATOM 134 O ASP A 10 12.180 -1.022 0.463 1.00 0.00 O ATOM 135 CB ASP A 10 12.188 -3.802 -1.412 1.00 0.00 C ATOM 136 CG ASP A 10 13.019 -4.107 -2.644 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.145 -3.214 -3.508 1.00 0.00 O ATOM 138 OD2 ASP A 10 13.542 -5.236 -2.744 1.00 0.00 O ATOM 0 H ASP A 10 13.266 -5.101 0.361 1.00 0.00 H new ATOM 0 HA ASP A 10 13.773 -2.503 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.755 -4.727 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.358 -3.152 -1.690 1.00 0.00 H new ATOM 143 N ILE A 11 11.223 -2.856 1.325 1.00 0.00 N ATOM 144 CA ILE A 11 10.307 -2.098 2.176 1.00 0.00 C ATOM 145 C ILE A 11 11.079 -1.154 3.087 1.00 0.00 C ATOM 146 O ILE A 11 10.649 -0.028 3.337 1.00 0.00 O ATOM 147 CB ILE A 11 9.439 -3.028 3.048 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.699 -4.059 2.192 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.453 -2.211 3.869 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.087 -5.181 2.999 1.00 0.00 C ATOM 0 H ILE A 11 11.129 -3.869 1.398 1.00 0.00 H new ATOM 0 HA ILE A 11 9.657 -1.527 1.513 1.00 0.00 H new ATOM 0 HB ILE A 11 10.099 -3.569 3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.913 -3.556 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.392 -4.481 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.846 -2.880 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.999 -1.524 4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.806 -1.643 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.578 -5.875 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.871 -5.709 3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.369 -4.769 3.708 1.00 0.00 H new ATOM 162 N LYS A 12 12.221 -1.615 3.584 1.00 0.00 N ATOM 163 CA LYS A 12 13.048 -0.800 4.464 1.00 0.00 C ATOM 164 C LYS A 12 13.659 0.374 3.703 1.00 0.00 C ATOM 165 O LYS A 12 13.554 1.525 4.130 1.00 0.00 O ATOM 166 CB LYS A 12 14.150 -1.652 5.091 1.00 0.00 C ATOM 167 CG LYS A 12 13.657 -2.521 6.233 1.00 0.00 C ATOM 168 CD LYS A 12 14.448 -3.815 6.346 1.00 0.00 C ATOM 169 CE LYS A 12 15.911 -3.559 6.681 1.00 0.00 C ATOM 170 NZ LYS A 12 16.691 -3.120 5.489 1.00 0.00 N ATOM 0 H LYS A 12 12.594 -2.545 3.393 1.00 0.00 H new ATOM 0 HA LYS A 12 12.414 -0.402 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.590 -2.288 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.942 -0.998 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.732 -1.967 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.602 -2.752 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.004 -4.446 7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.381 -4.364 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.977 -2.797 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.354 -4.468 7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.656 -3.504 5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.229 -3.468 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.733 -2.081 5.465 1.00 0.00 H new ATOM 184 N LYS A 13 14.297 0.074 2.576 1.00 0.00 N ATOM 185 CA LYS A 13 14.920 1.102 1.747 1.00 0.00 C ATOM 186 C LYS A 13 13.868 2.020 1.146 1.00 0.00 C ATOM 187 O LYS A 13 13.970 3.242 1.218 1.00 0.00 O ATOM 188 CB LYS A 13 15.708 0.456 0.609 1.00 0.00 C ATOM 189 CG LYS A 13 16.779 -0.517 1.071 1.00 0.00 C ATOM 190 CD LYS A 13 17.149 -1.497 -0.032 1.00 0.00 C ATOM 191 CE LYS A 13 17.518 -0.780 -1.321 1.00 0.00 C ATOM 192 NZ LYS A 13 17.924 -1.734 -2.390 1.00 0.00 N ATOM 0 H LYS A 13 14.397 -0.875 2.215 1.00 0.00 H new ATOM 0 HA LYS A 13 15.589 1.682 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.014 -0.069 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.177 1.240 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.666 0.036 1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.423 -1.065 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.987 -2.113 0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.312 -2.170 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.668 -0.190 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.333 -0.083 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.168 -1.206 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.751 -2.280 -2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.138 -2.384 -2.593 1.00 0.00 H new ATOM 206 N ALA A 14 12.859 1.404 0.554 1.00 0.00 N ATOM 207 CA ALA A 14 11.774 2.122 -0.094 1.00 0.00 C ATOM 208 C ALA A 14 11.020 3.029 0.874 1.00 0.00 C ATOM 209 O ALA A 14 10.740 4.185 0.557 1.00 0.00 O ATOM 210 CB ALA A 14 10.827 1.125 -0.738 1.00 0.00 C ATOM 0 H ALA A 14 12.769 0.389 0.509 1.00 0.00 H new ATOM 0 HA ALA A 14 12.206 2.769 -0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.012 1.660 -1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.368 0.536 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.421 0.463 0.027 1.00 0.00 H new ATOM 216 N ILE A 15 10.691 2.510 2.052 1.00 0.00 N ATOM 217 CA ILE A 15 9.956 3.288 3.038 1.00 0.00 C ATOM 218 C ILE A 15 10.807 4.426 3.612 1.00 0.00 C ATOM 219 O ILE A 15 10.296 5.509 3.900 1.00 0.00 O ATOM 220 CB ILE A 15 9.409 2.395 4.159 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.313 1.571 3.530 1.00 0.00 C ATOM 222 CG2 ILE A 15 8.854 3.210 5.331 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.491 0.779 4.503 1.00 0.00 C ATOM 0 H ILE A 15 10.921 1.560 2.345 1.00 0.00 H new ATOM 0 HA ILE A 15 9.108 3.739 2.523 1.00 0.00 H new ATOM 0 HB ILE A 15 10.205 1.777 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.652 2.234 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.760 0.886 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.479 2.534 6.099 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.646 3.831 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.042 3.846 4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.728 0.218 3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.135 0.087 5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.011 1.456 5.210 1.00 0.00 H new ATOM 235 N GLY A 16 12.102 4.171 3.773 1.00 0.00 N ATOM 236 CA GLY A 16 12.993 5.178 4.328 1.00 0.00 C ATOM 237 C GLY A 16 13.650 6.050 3.272 1.00 0.00 C ATOM 238 O GLY A 16 14.170 7.121 3.584 1.00 0.00 O ATOM 0 H GLY A 16 12.551 3.288 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.431 5.812 5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.768 4.684 4.914 1.00 0.00 H new ATOM 242 N ALA A 17 13.634 5.597 2.024 1.00 0.00 N ATOM 243 CA ALA A 17 14.240 6.352 0.932 1.00 0.00 C ATOM 244 C ALA A 17 13.358 7.528 0.527 1.00 0.00 C ATOM 245 O ALA A 17 13.846 8.539 0.021 1.00 0.00 O ATOM 246 CB ALA A 17 14.498 5.444 -0.262 1.00 0.00 C ATOM 0 H ALA A 17 13.209 4.713 1.743 1.00 0.00 H new ATOM 0 HA ALA A 17 15.193 6.748 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.950 6.022 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.174 4.640 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.555 5.018 -0.606 1.00 0.00 H new ATOM 252 N PHE A 18 12.060 7.387 0.753 1.00 0.00 N ATOM 253 CA PHE A 18 11.101 8.431 0.415 1.00 0.00 C ATOM 254 C PHE A 18 10.632 9.156 1.673 1.00 0.00 C ATOM 255 O PHE A 18 9.524 8.928 2.155 1.00 0.00 O ATOM 256 CB PHE A 18 9.904 7.823 -0.311 1.00 0.00 C ATOM 257 CG PHE A 18 10.259 7.130 -1.597 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.383 7.505 -2.320 1.00 0.00 C ATOM 259 CD2 PHE A 18 9.464 6.107 -2.087 1.00 0.00 C ATOM 260 CE1 PHE A 18 11.705 6.872 -3.505 1.00 0.00 C ATOM 261 CE2 PHE A 18 9.781 5.472 -3.271 1.00 0.00 C ATOM 262 CZ PHE A 18 10.903 5.854 -3.981 1.00 0.00 C ATOM 0 H PHE A 18 11.644 6.555 1.171 1.00 0.00 H new ATOM 0 HA PHE A 18 11.590 9.152 -0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.414 7.110 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.181 8.611 -0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.013 8.301 -1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.586 5.803 -1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.583 7.173 -4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.152 4.677 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.152 5.357 -4.907 1.00 0.00 H new ATOM 272 N THR A 19 11.486 10.022 2.203 1.00 0.00 N ATOM 273 CA THR A 19 11.168 10.760 3.421 1.00 0.00 C ATOM 274 C THR A 19 10.523 12.122 3.162 1.00 0.00 C ATOM 275 O THR A 19 9.611 12.522 3.887 1.00 0.00 O ATOM 276 CB THR A 19 12.428 10.972 4.278 1.00 0.00 C ATOM 277 OG1 THR A 19 13.360 11.807 3.580 1.00 0.00 O ATOM 278 CG2 THR A 19 13.085 9.643 4.612 1.00 0.00 C ATOM 0 H THR A 19 12.404 10.231 1.810 1.00 0.00 H new ATOM 0 HA THR A 19 10.441 10.142 3.949 1.00 0.00 H new ATOM 0 HB THR A 19 12.130 11.457 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 19 14.159 11.939 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 19 13.974 9.819 5.218 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.384 9.020 5.167 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.369 9.136 3.690 1.00 0.00 H new ATOM 286 N ALA A 20 10.985 12.838 2.138 1.00 0.00 N ATOM 287 CA ALA A 20 10.467 14.182 1.872 1.00 0.00 C ATOM 288 C ALA A 20 9.349 14.247 0.827 1.00 0.00 C ATOM 289 O ALA A 20 8.233 14.661 1.143 1.00 0.00 O ATOM 290 CB ALA A 20 11.609 15.097 1.457 1.00 0.00 C ATOM 0 H ALA A 20 11.704 12.519 1.489 1.00 0.00 H new ATOM 0 HA ALA A 20 10.014 14.513 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.221 16.096 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.346 15.146 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.079 14.706 0.555 1.00 0.00 H new ATOM 296 N ALA A 21 9.632 13.845 -0.408 1.00 0.00 N ATOM 297 CA ALA A 21 8.629 13.935 -1.472 1.00 0.00 C ATOM 298 C ALA A 21 7.860 12.641 -1.695 1.00 0.00 C ATOM 299 O ALA A 21 6.665 12.560 -1.417 1.00 0.00 O ATOM 300 CB ALA A 21 9.292 14.370 -2.770 1.00 0.00 C ATOM 0 H ALA A 21 10.531 13.459 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 21 7.900 14.677 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.542 14.435 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.758 15.345 -2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.052 13.641 -3.052 1.00 0.00 H new ATOM 306 N ASP A 22 8.550 11.633 -2.192 1.00 0.00 N ATOM 307 CA ASP A 22 7.925 10.347 -2.473 1.00 0.00 C ATOM 308 C ASP A 22 7.237 9.779 -1.239 1.00 0.00 C ATOM 309 O ASP A 22 6.355 8.927 -1.346 1.00 0.00 O ATOM 310 CB ASP A 22 8.968 9.362 -2.998 1.00 0.00 C ATOM 311 CG ASP A 22 9.433 9.703 -4.400 1.00 0.00 C ATOM 312 OD1 ASP A 22 8.795 9.234 -5.368 1.00 0.00 O ATOM 313 OD2 ASP A 22 10.433 10.440 -4.533 1.00 0.00 O ATOM 0 H ASP A 22 9.545 11.676 -2.411 1.00 0.00 H new ATOM 0 HA ASP A 22 7.162 10.503 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.826 9.354 -2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.549 8.356 -2.992 1.00 0.00 H new ATOM 318 N SER A 23 7.642 10.253 -0.064 1.00 0.00 N ATOM 319 CA SER A 23 7.065 9.790 1.195 1.00 0.00 C ATOM 320 C SER A 23 5.547 9.661 1.098 1.00 0.00 C ATOM 321 O SER A 23 4.948 8.783 1.720 1.00 0.00 O ATOM 322 CB SER A 23 7.435 10.748 2.323 1.00 0.00 C ATOM 323 OG SER A 23 6.972 10.267 3.570 1.00 0.00 O ATOM 0 H SER A 23 8.370 10.960 0.043 1.00 0.00 H new ATOM 0 HA SER A 23 7.474 8.803 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.517 10.874 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.006 11.730 2.126 1.00 0.00 H new ATOM 0 HG SER A 23 7.538 9.523 3.864 1.00 0.00 H new ATOM 329 N PHE A 24 4.928 10.538 0.314 1.00 0.00 N ATOM 330 CA PHE A 24 3.483 10.500 0.138 1.00 0.00 C ATOM 331 C PHE A 24 3.115 9.696 -1.110 1.00 0.00 C ATOM 332 O PHE A 24 2.193 8.885 -1.082 1.00 0.00 O ATOM 333 CB PHE A 24 2.898 11.919 0.077 1.00 0.00 C ATOM 334 CG PHE A 24 3.497 12.803 -0.980 1.00 0.00 C ATOM 335 CD1 PHE A 24 3.124 12.673 -2.307 1.00 0.00 C ATOM 336 CD2 PHE A 24 4.419 13.780 -0.640 1.00 0.00 C ATOM 337 CE1 PHE A 24 3.661 13.499 -3.276 1.00 0.00 C ATOM 338 CE2 PHE A 24 4.962 14.607 -1.604 1.00 0.00 C ATOM 339 CZ PHE A 24 4.581 14.467 -2.924 1.00 0.00 C ATOM 0 H PHE A 24 5.401 11.278 -0.205 1.00 0.00 H new ATOM 0 HA PHE A 24 3.046 10.001 1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.824 11.847 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.034 12.395 1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.405 11.917 -2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.717 13.896 0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.362 13.388 -4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.683 15.362 -1.326 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.002 15.114 -3.680 1.00 0.00 H new ATOM 349 N ASP A 25 3.851 9.909 -2.197 1.00 0.00 N ATOM 350 CA ASP A 25 3.596 9.181 -3.438 1.00 0.00 C ATOM 351 C ASP A 25 3.901 7.699 -3.253 1.00 0.00 C ATOM 352 O ASP A 25 4.984 7.229 -3.600 1.00 0.00 O ATOM 353 CB ASP A 25 4.446 9.743 -4.580 1.00 0.00 C ATOM 354 CG ASP A 25 4.031 11.145 -4.983 1.00 0.00 C ATOM 355 OD1 ASP A 25 2.820 11.374 -5.179 1.00 0.00 O ATOM 356 OD2 ASP A 25 4.921 12.015 -5.103 1.00 0.00 O ATOM 0 H ASP A 25 4.623 10.574 -2.245 1.00 0.00 H new ATOM 0 HA ASP A 25 2.543 9.302 -3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.493 9.751 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.369 9.083 -5.444 1.00 0.00 H new ATOM 361 N HIS A 26 2.940 6.964 -2.701 1.00 0.00 N ATOM 362 CA HIS A 26 3.121 5.538 -2.456 1.00 0.00 C ATOM 363 C HIS A 26 3.140 4.725 -3.752 1.00 0.00 C ATOM 364 O HIS A 26 3.692 3.626 -3.787 1.00 0.00 O ATOM 365 CB HIS A 26 2.033 5.012 -1.520 1.00 0.00 C ATOM 366 CG HIS A 26 2.019 5.677 -0.179 1.00 0.00 C ATOM 367 ND1 HIS A 26 2.901 5.358 0.830 1.00 0.00 N ATOM 368 CD2 HIS A 26 1.219 6.650 0.317 1.00 0.00 C ATOM 369 CE1 HIS A 26 2.645 6.104 1.890 1.00 0.00 C ATOM 370 NE2 HIS A 26 1.629 6.897 1.604 1.00 0.00 N ATOM 0 H HIS A 26 2.032 7.331 -2.416 1.00 0.00 H new ATOM 0 HA HIS A 26 4.094 5.417 -1.980 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.061 5.149 -1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.172 3.940 -1.382 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.409 7.141 -0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.176 6.071 2.830 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.216 7.582 2.237 1.00 0.00 H new ATOM 379 N LYS A 27 2.538 5.257 -4.821 1.00 0.00 N ATOM 380 CA LYS A 27 2.504 4.564 -6.098 1.00 0.00 C ATOM 381 C LYS A 27 3.887 4.041 -6.475 1.00 0.00 C ATOM 382 O LYS A 27 4.087 2.836 -6.593 1.00 0.00 O ATOM 383 CB LYS A 27 1.982 5.500 -7.186 1.00 0.00 C ATOM 384 CG LYS A 27 0.472 5.616 -7.226 1.00 0.00 C ATOM 385 CD LYS A 27 -0.100 4.724 -8.305 1.00 0.00 C ATOM 386 CE LYS A 27 0.080 5.329 -9.689 1.00 0.00 C ATOM 387 NZ LYS A 27 -0.690 6.594 -9.852 1.00 0.00 N ATOM 0 H LYS A 27 2.071 6.164 -4.820 1.00 0.00 H new ATOM 0 HA LYS A 27 1.832 3.711 -6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.408 6.491 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.335 5.147 -8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.054 5.339 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.186 6.651 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.387 3.750 -8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.160 4.558 -8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.138 5.524 -9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.241 4.610 -10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.837 6.783 -10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.612 6.503 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.159 7.381 -9.427 1.00 0.00 H new ATOM 401 N LYS A 28 4.847 4.947 -6.626 1.00 0.00 N ATOM 402 CA LYS A 28 6.206 4.552 -6.974 1.00 0.00 C ATOM 403 C LYS A 28 6.739 3.616 -5.908 1.00 0.00 C ATOM 404 O LYS A 28 7.346 2.588 -6.208 1.00 0.00 O ATOM 405 CB LYS A 28 7.107 5.782 -7.078 1.00 0.00 C ATOM 406 CG LYS A 28 8.566 5.453 -7.350 1.00 0.00 C ATOM 407 CD LYS A 28 8.858 5.346 -8.838 1.00 0.00 C ATOM 408 CE LYS A 28 8.009 4.276 -9.504 1.00 0.00 C ATOM 409 NZ LYS A 28 8.496 3.958 -10.876 1.00 0.00 N ATOM 0 H LYS A 28 4.711 5.952 -6.514 1.00 0.00 H new ATOM 0 HA LYS A 28 6.196 4.046 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.735 6.427 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.039 6.350 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.199 6.224 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.823 4.513 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.671 6.308 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.913 5.117 -8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.021 3.372 -8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.974 4.613 -9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.814 4.311 -11.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.418 4.413 -11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.597 2.928 -10.979 1.00 0.00 H new ATOM 423 N PHE A 29 6.506 3.985 -4.658 1.00 0.00 N ATOM 424 CA PHE A 29 6.929 3.167 -3.536 1.00 0.00 C ATOM 425 C PHE A 29 6.392 1.748 -3.700 1.00 0.00 C ATOM 426 O PHE A 29 7.063 0.782 -3.349 1.00 0.00 O ATOM 427 CB PHE A 29 6.444 3.782 -2.222 1.00 0.00 C ATOM 428 CG PHE A 29 6.558 2.860 -1.047 1.00 0.00 C ATOM 429 CD1 PHE A 29 7.795 2.539 -0.518 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.425 2.301 -0.480 1.00 0.00 C ATOM 431 CE1 PHE A 29 7.901 1.679 0.556 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.525 1.439 0.591 1.00 0.00 C ATOM 433 CZ PHE A 29 6.762 1.127 1.109 1.00 0.00 C ATOM 0 H PHE A 29 6.026 4.846 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 29 8.018 3.126 -3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.019 4.686 -2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.403 4.085 -2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.688 2.966 -0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.452 2.543 -0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.872 1.438 0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.634 1.009 1.023 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.842 0.451 1.947 1.00 0.00 H new ATOM 443 N PHE A 30 5.179 1.631 -4.231 1.00 0.00 N ATOM 444 CA PHE A 30 4.574 0.325 -4.462 1.00 0.00 C ATOM 445 C PHE A 30 5.527 -0.554 -5.263 1.00 0.00 C ATOM 446 O PHE A 30 5.546 -1.777 -5.119 1.00 0.00 O ATOM 447 CB PHE A 30 3.257 0.480 -5.219 1.00 0.00 C ATOM 448 CG PHE A 30 2.126 -0.286 -4.597 1.00 0.00 C ATOM 449 CD1 PHE A 30 1.333 0.297 -3.622 1.00 0.00 C ATOM 450 CD2 PHE A 30 1.865 -1.591 -4.977 1.00 0.00 C ATOM 451 CE1 PHE A 30 0.298 -0.409 -3.040 1.00 0.00 C ATOM 452 CE2 PHE A 30 0.833 -2.301 -4.398 1.00 0.00 C ATOM 453 CZ PHE A 30 0.048 -1.709 -3.429 1.00 0.00 C ATOM 0 H PHE A 30 4.598 2.422 -4.508 1.00 0.00 H new ATOM 0 HA PHE A 30 4.375 -0.145 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.992 1.536 -5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.394 0.143 -6.247 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.526 1.314 -3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.476 -2.059 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.315 0.056 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.640 -3.319 -4.703 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.761 -2.263 -2.976 1.00 0.00 H new ATOM 463 N GLN A 31 6.315 0.097 -6.109 1.00 0.00 N ATOM 464 CA GLN A 31 7.286 -0.575 -6.961 1.00 0.00 C ATOM 465 C GLN A 31 8.599 -0.828 -6.214 1.00 0.00 C ATOM 466 O GLN A 31 9.179 -1.909 -6.310 1.00 0.00 O ATOM 467 CB GLN A 31 7.533 0.275 -8.208 1.00 0.00 C ATOM 468 CG GLN A 31 6.284 0.968 -8.726 1.00 0.00 C ATOM 469 CD GLN A 31 6.460 1.527 -10.125 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.222 0.990 -10.930 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.752 2.611 -10.423 1.00 0.00 N ATOM 0 H GLN A 31 6.298 1.110 -6.224 1.00 0.00 H new ATOM 0 HA GLN A 31 6.885 -1.545 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.289 1.027 -7.982 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.940 -0.359 -8.996 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.454 0.261 -8.724 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.015 1.777 -8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.133 3.023 -9.725 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.828 3.031 -11.349 1.00 0.00 H new ATOM 480 N MET A 32 9.057 0.176 -5.474 1.00 0.00 N ATOM 481 CA MET A 32 10.306 0.074 -4.716 1.00 0.00 C ATOM 482 C MET A 32 10.156 -0.841 -3.505 1.00 0.00 C ATOM 483 O MET A 32 11.086 -1.552 -3.127 1.00 0.00 O ATOM 484 CB MET A 32 10.755 1.452 -4.246 1.00 0.00 C ATOM 485 CG MET A 32 10.389 2.570 -5.199 1.00 0.00 C ATOM 486 SD MET A 32 10.740 2.177 -6.926 1.00 0.00 S ATOM 487 CE MET A 32 12.506 1.893 -6.856 1.00 0.00 C ATOM 0 H MET A 32 8.583 1.074 -5.381 1.00 0.00 H new ATOM 0 HA MET A 32 11.055 -0.353 -5.383 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.310 1.657 -3.272 1.00 0.00 H new ATOM 0 HB3 MET A 32 11.836 1.444 -4.107 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.328 2.796 -5.093 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.936 3.470 -4.920 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.927 1.974 -7.858 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.969 2.636 -6.207 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.699 0.896 -6.461 1.00 0.00 H new ATOM 497 N VAL A 33 8.973 -0.809 -2.908 1.00 0.00 N ATOM 498 CA VAL A 33 8.669 -1.598 -1.719 1.00 0.00 C ATOM 499 C VAL A 33 8.663 -3.090 -2.009 1.00 0.00 C ATOM 500 O VAL A 33 8.865 -3.909 -1.111 1.00 0.00 O ATOM 501 CB VAL A 33 7.304 -1.191 -1.145 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.201 -1.444 -2.155 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.021 -1.925 0.147 1.00 0.00 C ATOM 0 H VAL A 33 8.195 -0.235 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 33 9.456 -1.396 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 33 7.334 -0.123 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.242 -1.149 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.392 -0.861 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.175 -2.504 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.049 -1.620 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.017 -2.999 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.793 -1.686 0.878 1.00 0.00 H new ATOM 513 N GLY A 34 8.432 -3.435 -3.260 1.00 0.00 N ATOM 514 CA GLY A 34 8.407 -4.830 -3.648 1.00 0.00 C ATOM 515 C GLY A 34 7.007 -5.410 -3.697 1.00 0.00 C ATOM 516 O GLY A 34 6.840 -6.622 -3.815 1.00 0.00 O ATOM 0 H GLY A 34 8.260 -2.775 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.872 -4.937 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.008 -5.407 -2.945 1.00 0.00 H new ATOM 520 N LEU A 35 5.992 -4.553 -3.607 1.00 0.00 N ATOM 521 CA LEU A 35 4.616 -5.023 -3.659 1.00 0.00 C ATOM 522 C LEU A 35 4.387 -5.682 -5.006 1.00 0.00 C ATOM 523 O LEU A 35 3.658 -6.665 -5.126 1.00 0.00 O ATOM 524 CB LEU A 35 3.634 -3.871 -3.434 1.00 0.00 C ATOM 525 CG LEU A 35 3.216 -3.658 -1.977 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.875 -2.199 -1.716 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.032 -4.543 -1.645 1.00 0.00 C ATOM 0 H LEU A 35 6.097 -3.544 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 35 4.443 -5.747 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.084 -2.951 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.740 -4.053 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 35 4.054 -3.928 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.581 -2.075 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.747 -1.579 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.052 -1.896 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.740 -4.386 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.196 -4.293 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.307 -5.588 -1.791 1.00 0.00 H new ATOM 539 N LYS A 36 5.048 -5.141 -6.019 1.00 0.00 N ATOM 540 CA LYS A 36 4.959 -5.684 -7.364 1.00 0.00 C ATOM 541 C LYS A 36 5.993 -6.798 -7.566 1.00 0.00 C ATOM 542 O LYS A 36 6.203 -7.264 -8.686 1.00 0.00 O ATOM 543 CB LYS A 36 5.200 -4.584 -8.393 1.00 0.00 C ATOM 544 CG LYS A 36 4.093 -3.540 -8.453 1.00 0.00 C ATOM 545 CD LYS A 36 4.665 -2.137 -8.656 1.00 0.00 C ATOM 546 CE LYS A 36 5.702 -2.116 -9.768 1.00 0.00 C ATOM 547 NZ LYS A 36 5.165 -2.667 -11.042 1.00 0.00 N ATOM 0 H LYS A 36 5.653 -4.324 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 36 3.959 -6.096 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.143 -4.087 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.310 -5.039 -9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.409 -3.778 -9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.512 -3.569 -7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.858 -1.445 -8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.118 -1.789 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.040 -1.092 -9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.574 -2.694 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.651 -2.220 -11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.323 -3.694 -11.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.145 -2.472 -11.102 1.00 0.00 H new ATOM 561 N LYS A 37 6.639 -7.223 -6.474 1.00 0.00 N ATOM 562 CA LYS A 37 7.658 -8.257 -6.532 1.00 0.00 C ATOM 563 C LYS A 37 7.177 -9.473 -7.318 1.00 0.00 C ATOM 564 O LYS A 37 7.655 -9.736 -8.422 1.00 0.00 O ATOM 565 CB LYS A 37 8.051 -8.669 -5.113 1.00 0.00 C ATOM 566 CG LYS A 37 9.049 -9.811 -5.069 1.00 0.00 C ATOM 567 CD LYS A 37 9.453 -10.149 -3.643 1.00 0.00 C ATOM 568 CE LYS A 37 10.561 -11.189 -3.613 1.00 0.00 C ATOM 569 NZ LYS A 37 10.893 -11.609 -2.223 1.00 0.00 N ATOM 0 H LYS A 37 6.467 -6.859 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 37 8.527 -7.851 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.474 -7.807 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.154 -8.959 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.616 -10.692 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.935 -9.543 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.786 -9.245 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.587 -10.522 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.256 -12.061 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.452 -10.784 -4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.653 -12.319 -2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.208 -10.782 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.050 -12.020 -1.774 1.00 0.00 H new ATOM 583 N LYS A 38 6.230 -10.211 -6.747 1.00 0.00 N ATOM 584 CA LYS A 38 5.702 -11.404 -7.397 1.00 0.00 C ATOM 585 C LYS A 38 4.347 -11.134 -8.055 1.00 0.00 C ATOM 586 O LYS A 38 4.285 -10.765 -9.228 1.00 0.00 O ATOM 587 CB LYS A 38 5.582 -12.550 -6.392 1.00 0.00 C ATOM 588 CG LYS A 38 6.906 -12.997 -5.807 1.00 0.00 C ATOM 589 CD LYS A 38 6.701 -14.110 -4.797 1.00 0.00 C ATOM 590 CE LYS A 38 7.754 -14.066 -3.702 1.00 0.00 C ATOM 591 NZ LYS A 38 7.567 -15.157 -2.706 1.00 0.00 N ATOM 0 H LYS A 38 5.814 -10.004 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 38 6.403 -11.690 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.924 -12.240 -5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.107 -13.400 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.564 -13.341 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.401 -12.152 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.709 -14.023 -4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.740 -15.075 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.745 -14.148 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.711 -13.102 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.911 -14.841 -1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.557 -15.396 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.102 -15.997 -3.006 1.00 0.00 H new ATOM 605 N SER A 39 3.264 -11.318 -7.298 1.00 0.00 N ATOM 606 CA SER A 39 1.924 -11.105 -7.830 1.00 0.00 C ATOM 607 C SER A 39 0.986 -10.545 -6.765 1.00 0.00 C ATOM 608 O SER A 39 1.397 -10.288 -5.634 1.00 0.00 O ATOM 609 CB SER A 39 1.361 -12.415 -8.385 1.00 0.00 C ATOM 610 OG SER A 39 2.185 -12.927 -9.417 1.00 0.00 O ATOM 0 H SER A 39 3.291 -11.612 -6.322 1.00 0.00 H new ATOM 0 HA SER A 39 1.997 -10.374 -8.636 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.280 -13.148 -7.583 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.354 -12.248 -8.768 1.00 0.00 H new ATOM 0 HG SER A 39 1.805 -13.765 -9.754 1.00 0.00 H new ATOM 616 N ALA A 40 -0.277 -10.358 -7.138 1.00 0.00 N ATOM 617 CA ALA A 40 -1.285 -9.831 -6.224 1.00 0.00 C ATOM 618 C ALA A 40 -1.370 -10.649 -4.934 1.00 0.00 C ATOM 619 O ALA A 40 -1.911 -10.185 -3.929 1.00 0.00 O ATOM 620 CB ALA A 40 -2.635 -9.799 -6.918 1.00 0.00 C ATOM 0 H ALA A 40 -0.628 -10.565 -8.073 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.991 -8.819 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.387 -9.405 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.576 -9.160 -7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.913 -10.809 -7.220 1.00 0.00 H new ATOM 626 N ASP A 41 -0.850 -11.872 -4.965 1.00 0.00 N ATOM 627 CA ASP A 41 -0.874 -12.741 -3.791 1.00 0.00 C ATOM 628 C ASP A 41 -0.033 -12.160 -2.656 1.00 0.00 C ATOM 629 O ASP A 41 -0.470 -12.124 -1.504 1.00 0.00 O ATOM 630 CB ASP A 41 -0.363 -14.135 -4.158 1.00 0.00 C ATOM 631 CG ASP A 41 -1.157 -14.766 -5.284 1.00 0.00 C ATOM 632 OD1 ASP A 41 -2.156 -15.458 -4.992 1.00 0.00 O ATOM 633 OD2 ASP A 41 -0.781 -14.569 -6.459 1.00 0.00 O ATOM 0 H ASP A 41 -0.408 -12.284 -5.787 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.906 -12.814 -3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.685 -14.069 -4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.410 -14.779 -3.280 1.00 0.00 H new ATOM 638 N ASP A 42 1.177 -11.711 -2.982 1.00 0.00 N ATOM 639 CA ASP A 42 2.077 -11.136 -1.986 1.00 0.00 C ATOM 640 C ASP A 42 1.494 -9.860 -1.392 1.00 0.00 C ATOM 641 O ASP A 42 1.390 -9.715 -0.170 1.00 0.00 O ATOM 642 CB ASP A 42 3.437 -10.838 -2.620 1.00 0.00 C ATOM 643 CG ASP A 42 4.043 -12.057 -3.285 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.362 -12.668 -4.137 1.00 0.00 O ATOM 645 OD2 ASP A 42 5.194 -12.403 -2.954 1.00 0.00 O ATOM 0 H ASP A 42 1.557 -11.734 -3.928 1.00 0.00 H new ATOM 0 HA ASP A 42 2.202 -11.862 -1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.325 -10.043 -3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.119 -10.468 -1.854 1.00 0.00 H new ATOM 650 N VAL A 43 1.114 -8.933 -2.265 1.00 0.00 N ATOM 651 CA VAL A 43 0.534 -7.672 -1.833 1.00 0.00 C ATOM 652 C VAL A 43 -0.677 -7.923 -0.945 1.00 0.00 C ATOM 653 O VAL A 43 -0.933 -7.188 0.010 1.00 0.00 O ATOM 654 CB VAL A 43 0.118 -6.805 -3.033 1.00 0.00 C ATOM 655 CG1 VAL A 43 1.318 -6.508 -3.914 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.969 -7.497 -3.834 1.00 0.00 C ATOM 0 H VAL A 43 1.198 -9.034 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 43 1.297 -7.136 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.277 -5.861 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.006 -5.894 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.071 -5.974 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.740 -7.443 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.252 -6.871 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.598 -8.454 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.839 -7.664 -3.199 1.00 0.00 H new ATOM 666 N LYS A 44 -1.428 -8.970 -1.271 1.00 0.00 N ATOM 667 CA LYS A 44 -2.606 -9.331 -0.499 1.00 0.00 C ATOM 668 C LYS A 44 -2.223 -9.693 0.933 1.00 0.00 C ATOM 669 O LYS A 44 -2.984 -9.445 1.868 1.00 0.00 O ATOM 670 CB LYS A 44 -3.351 -10.488 -1.162 1.00 0.00 C ATOM 671 CG LYS A 44 -4.273 -10.037 -2.280 1.00 0.00 C ATOM 672 CD LYS A 44 -4.849 -11.217 -3.044 1.00 0.00 C ATOM 673 CE LYS A 44 -5.536 -10.772 -4.325 1.00 0.00 C ATOM 674 NZ LYS A 44 -6.072 -11.926 -5.098 1.00 0.00 N ATOM 0 H LYS A 44 -1.240 -9.582 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.270 -8.467 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.627 -11.198 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.935 -11.017 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.085 -9.441 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.724 -9.392 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.052 -11.920 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.562 -11.747 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.350 -10.089 -4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.829 -10.219 -4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.533 -11.580 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.292 -12.566 -5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.766 -12.440 -4.518 1.00 0.00 H new ATOM 688 N LYS A 45 -1.039 -10.281 1.100 1.00 0.00 N ATOM 689 CA LYS A 45 -0.567 -10.670 2.419 1.00 0.00 C ATOM 690 C LYS A 45 -0.270 -9.431 3.246 1.00 0.00 C ATOM 691 O LYS A 45 -0.850 -9.233 4.314 1.00 0.00 O ATOM 692 CB LYS A 45 0.680 -11.548 2.309 1.00 0.00 C ATOM 693 CG LYS A 45 0.387 -13.037 2.401 1.00 0.00 C ATOM 694 CD LYS A 45 -0.654 -13.468 1.381 1.00 0.00 C ATOM 695 CE LYS A 45 -0.992 -14.945 1.521 1.00 0.00 C ATOM 696 NZ LYS A 45 -2.012 -15.378 0.527 1.00 0.00 N ATOM 0 H LYS A 45 -0.395 -10.496 0.339 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.347 -11.249 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.177 -11.342 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.378 -11.274 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.307 -13.600 2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.035 -13.278 3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.558 -12.873 1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.283 -13.272 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.086 -15.538 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.361 -15.139 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.214 -16.390 0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.885 -14.830 0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.650 -15.217 -0.435 1.00 0.00 H new ATOM 710 N VAL A 46 0.622 -8.586 2.734 1.00 0.00 N ATOM 711 CA VAL A 46 0.978 -7.356 3.415 1.00 0.00 C ATOM 712 C VAL A 46 -0.281 -6.569 3.764 1.00 0.00 C ATOM 713 O VAL A 46 -0.305 -5.797 4.722 1.00 0.00 O ATOM 714 CB VAL A 46 1.904 -6.488 2.538 1.00 0.00 C ATOM 715 CG1 VAL A 46 1.284 -6.249 1.171 1.00 0.00 C ATOM 716 CG2 VAL A 46 2.205 -5.171 3.225 1.00 0.00 C ATOM 0 H VAL A 46 1.108 -8.736 1.850 1.00 0.00 H new ATOM 0 HA VAL A 46 1.510 -7.617 4.330 1.00 0.00 H new ATOM 0 HB VAL A 46 2.842 -7.025 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.954 -5.635 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.123 -7.205 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.330 -5.736 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.859 -4.572 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.275 -4.631 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.698 -5.362 4.178 1.00 0.00 H new ATOM 726 N PHE A 47 -1.321 -6.773 2.968 1.00 0.00 N ATOM 727 CA PHE A 47 -2.594 -6.106 3.180 1.00 0.00 C ATOM 728 C PHE A 47 -3.162 -6.443 4.553 1.00 0.00 C ATOM 729 O PHE A 47 -3.527 -5.558 5.325 1.00 0.00 O ATOM 730 CB PHE A 47 -3.579 -6.541 2.112 1.00 0.00 C ATOM 731 CG PHE A 47 -4.698 -5.570 1.891 1.00 0.00 C ATOM 732 CD1 PHE A 47 -4.426 -4.238 1.641 1.00 0.00 C ATOM 733 CD2 PHE A 47 -6.015 -5.990 1.928 1.00 0.00 C ATOM 734 CE1 PHE A 47 -5.450 -3.338 1.431 1.00 0.00 C ATOM 735 CE2 PHE A 47 -7.045 -5.096 1.717 1.00 0.00 C ATOM 736 CZ PHE A 47 -6.761 -3.769 1.468 1.00 0.00 C ATOM 0 H PHE A 47 -1.305 -7.400 2.164 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.432 -5.030 3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.044 -6.684 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.999 -7.508 2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.401 -3.898 1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.240 -7.028 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.227 -2.299 1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.070 -5.434 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.565 -3.067 1.302 1.00 0.00 H new ATOM 746 N HIS A 48 -3.238 -7.738 4.846 1.00 0.00 N ATOM 747 CA HIS A 48 -3.761 -8.203 6.121 1.00 0.00 C ATOM 748 C HIS A 48 -2.847 -7.746 7.241 1.00 0.00 C ATOM 749 O HIS A 48 -3.299 -7.419 8.338 1.00 0.00 O ATOM 750 CB HIS A 48 -3.889 -9.729 6.131 1.00 0.00 C ATOM 751 CG HIS A 48 -4.735 -10.264 5.019 1.00 0.00 C ATOM 752 ND1 HIS A 48 -4.395 -10.788 3.819 1.00 0.00 N flip ATOM 753 CD2 HIS A 48 -6.113 -10.300 5.074 1.00 0.00 C flip ATOM 754 CE1 HIS A 48 -5.561 -11.126 3.176 1.00 0.00 C flip ATOM 755 NE2 HIS A 48 -6.583 -10.822 3.955 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.943 -8.483 4.215 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.754 -7.779 6.269 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.894 -10.170 6.064 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.314 -10.044 7.084 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -3.449 -10.910 3.459 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.714 -9.955 5.903 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.630 -11.568 2.193 1.00 0.00 H new ATOM 764 N ILE A 49 -1.548 -7.726 6.952 1.00 0.00 N ATOM 765 CA ILE A 49 -0.562 -7.278 7.921 1.00 0.00 C ATOM 766 C ILE A 49 -0.967 -5.919 8.464 1.00 0.00 C ATOM 767 O ILE A 49 -1.004 -5.700 9.675 1.00 0.00 O ATOM 768 CB ILE A 49 0.836 -7.153 7.286 1.00 0.00 C ATOM 769 CG1 ILE A 49 1.266 -8.483 6.664 1.00 0.00 C ATOM 770 CG2 ILE A 49 1.849 -6.694 8.323 1.00 0.00 C ATOM 771 CD1 ILE A 49 1.307 -9.631 7.645 1.00 0.00 C ATOM 0 H ILE A 49 -1.158 -8.015 6.055 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.520 -8.018 8.720 1.00 0.00 H new ATOM 0 HB ILE A 49 0.790 -6.406 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.580 -8.733 5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.254 -8.363 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.832 -6.610 7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.550 -5.723 8.718 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.892 -7.419 9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.620 -10.539 7.130 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.015 -9.403 8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.315 -9.780 8.072 1.00 0.00 H new ATOM 783 N LEU A 50 -1.275 -5.012 7.546 1.00 0.00 N ATOM 784 CA LEU A 50 -1.699 -3.680 7.904 1.00 0.00 C ATOM 785 C LEU A 50 -3.192 -3.642 8.229 1.00 0.00 C ATOM 786 O LEU A 50 -3.650 -2.757 8.949 1.00 0.00 O ATOM 787 CB LEU A 50 -1.352 -2.722 6.769 1.00 0.00 C ATOM 788 CG LEU A 50 -2.052 -2.981 5.432 1.00 0.00 C ATOM 789 CD1 LEU A 50 -3.523 -2.609 5.511 1.00 0.00 C ATOM 790 CD2 LEU A 50 -1.369 -2.197 4.323 1.00 0.00 C ATOM 0 H LEU A 50 -1.236 -5.185 6.541 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.172 -3.368 8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.591 -1.708 7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.275 -2.759 6.605 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.981 -4.045 5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.999 -2.802 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.008 -3.207 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.618 -1.552 5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.875 -2.389 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.414 -1.132 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.327 -2.508 4.246 1.00 0.00 H new ATOM 802 N ASP A 51 -3.955 -4.604 7.704 1.00 0.00 N ATOM 803 CA ASP A 51 -5.390 -4.651 7.981 1.00 0.00 C ATOM 804 C ASP A 51 -5.962 -6.046 7.754 1.00 0.00 C ATOM 805 O ASP A 51 -6.576 -6.317 6.726 1.00 0.00 O ATOM 806 CB ASP A 51 -6.137 -3.644 7.122 1.00 0.00 C ATOM 807 CG ASP A 51 -7.378 -3.112 7.810 1.00 0.00 C ATOM 808 OD1 ASP A 51 -8.059 -3.900 8.497 1.00 0.00 O ATOM 809 OD2 ASP A 51 -7.671 -1.907 7.659 1.00 0.00 O ATOM 0 H ASP A 51 -3.610 -5.347 7.096 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.523 -4.395 9.032 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.474 -2.813 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.419 -4.112 6.179 1.00 0.00 H new ATOM 814 N LYS A 52 -5.748 -6.926 8.725 1.00 0.00 N ATOM 815 CA LYS A 52 -6.237 -8.292 8.661 1.00 0.00 C ATOM 816 C LYS A 52 -7.740 -8.312 8.886 1.00 0.00 C ATOM 817 O LYS A 52 -8.469 -9.087 8.266 1.00 0.00 O ATOM 818 CB LYS A 52 -5.524 -9.166 9.699 1.00 0.00 C ATOM 819 CG LYS A 52 -5.997 -8.962 11.134 1.00 0.00 C ATOM 820 CD LYS A 52 -5.445 -7.681 11.741 1.00 0.00 C ATOM 821 CE LYS A 52 -5.656 -7.645 13.245 1.00 0.00 C ATOM 822 NZ LYS A 52 -5.197 -6.359 13.842 1.00 0.00 N ATOM 0 H LYS A 52 -5.231 -6.710 9.577 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.024 -8.698 7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.663 -10.213 9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.454 -8.964 9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.086 -8.933 11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.689 -9.813 11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.381 -7.601 11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.932 -6.820 11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.713 -7.791 13.466 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.117 -8.472 13.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.359 -6.376 14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.182 -6.231 13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.729 -5.571 13.421 1.00 0.00 H new ATOM 836 N ASP A 53 -8.191 -7.446 9.787 1.00 0.00 N ATOM 837 CA ASP A 53 -9.602 -7.337 10.109 1.00 0.00 C ATOM 838 C ASP A 53 -10.252 -6.237 9.281 1.00 0.00 C ATOM 839 O ASP A 53 -11.274 -5.674 9.673 1.00 0.00 O ATOM 840 CB ASP A 53 -9.791 -7.056 11.601 1.00 0.00 C ATOM 841 CG ASP A 53 -11.253 -7.028 12.006 1.00 0.00 C ATOM 842 OD1 ASP A 53 -11.800 -8.107 12.320 1.00 0.00 O ATOM 843 OD2 ASP A 53 -11.849 -5.932 12.011 1.00 0.00 O ATOM 0 H ASP A 53 -7.592 -6.807 10.309 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.083 -8.285 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.271 -7.820 12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.330 -6.100 11.849 1.00 0.00 H new ATOM 848 N LYS A 54 -9.653 -5.930 8.130 1.00 0.00 N ATOM 849 CA LYS A 54 -10.192 -4.906 7.249 1.00 0.00 C ATOM 850 C LYS A 54 -11.625 -5.250 6.846 1.00 0.00 C ATOM 851 O LYS A 54 -12.373 -4.390 6.382 1.00 0.00 O ATOM 852 CB LYS A 54 -9.300 -4.722 6.016 1.00 0.00 C ATOM 853 CG LYS A 54 -9.545 -5.713 4.884 1.00 0.00 C ATOM 854 CD LYS A 54 -9.247 -7.146 5.302 1.00 0.00 C ATOM 855 CE LYS A 54 -9.372 -8.110 4.132 1.00 0.00 C ATOM 856 NZ LYS A 54 -9.330 -9.531 4.577 1.00 0.00 N ATOM 0 H LYS A 54 -8.800 -6.375 7.792 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.209 -3.960 7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.443 -3.712 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.258 -4.800 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.582 -5.640 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.922 -5.448 4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.240 -7.203 5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.933 -7.444 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.307 -7.922 3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.564 -7.927 3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.478 -9.989 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.308 -9.569 5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.175 -10.028 4.230 1.00 0.00 H new ATOM 870 N SER A 55 -11.990 -6.520 7.023 1.00 0.00 N ATOM 871 CA SER A 55 -13.341 -6.988 6.707 1.00 0.00 C ATOM 872 C SER A 55 -13.590 -7.022 5.202 1.00 0.00 C ATOM 873 O SER A 55 -14.733 -6.941 4.751 1.00 0.00 O ATOM 874 CB SER A 55 -14.388 -6.105 7.389 1.00 0.00 C ATOM 875 OG SER A 55 -14.179 -6.058 8.789 1.00 0.00 O ATOM 0 H SER A 55 -11.369 -7.244 7.384 1.00 0.00 H new ATOM 0 HA SER A 55 -13.429 -8.006 7.085 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.343 -5.097 6.977 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.386 -6.490 7.180 1.00 0.00 H new ATOM 0 HG SER A 55 -13.258 -5.778 8.973 1.00 0.00 H new ATOM 881 N GLY A 56 -12.518 -7.144 4.432 1.00 0.00 N ATOM 882 CA GLY A 56 -12.643 -7.204 2.988 1.00 0.00 C ATOM 883 C GLY A 56 -12.340 -5.890 2.288 1.00 0.00 C ATOM 884 O GLY A 56 -12.155 -5.870 1.072 1.00 0.00 O ATOM 0 H GLY A 56 -11.562 -7.203 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.969 -7.971 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.656 -7.515 2.734 1.00 0.00 H new ATOM 888 N PHE A 57 -12.269 -4.793 3.043 1.00 0.00 N ATOM 889 CA PHE A 57 -11.983 -3.489 2.444 1.00 0.00 C ATOM 890 C PHE A 57 -11.509 -2.470 3.475 1.00 0.00 C ATOM 891 O PHE A 57 -12.030 -2.397 4.587 1.00 0.00 O ATOM 892 CB PHE A 57 -13.224 -2.932 1.732 1.00 0.00 C ATOM 893 CG PHE A 57 -13.666 -3.746 0.550 1.00 0.00 C ATOM 894 CD1 PHE A 57 -13.145 -3.501 -0.710 1.00 0.00 C ATOM 895 CD2 PHE A 57 -14.602 -4.758 0.700 1.00 0.00 C ATOM 896 CE1 PHE A 57 -13.550 -4.247 -1.800 1.00 0.00 C ATOM 897 CE2 PHE A 57 -15.010 -5.507 -0.387 1.00 0.00 C ATOM 898 CZ PHE A 57 -14.483 -5.252 -1.638 1.00 0.00 C ATOM 0 H PHE A 57 -12.403 -4.780 4.054 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.181 -3.651 1.724 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.045 -2.873 2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.015 -1.914 1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.413 -2.717 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.016 -4.963 1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.137 -4.044 -2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.741 -6.292 -0.259 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.800 -5.838 -2.488 1.00 0.00 H new ATOM 908 N ILE A 58 -10.514 -1.687 3.079 1.00 0.00 N ATOM 909 CA ILE A 58 -9.969 -0.629 3.915 1.00 0.00 C ATOM 910 C ILE A 58 -10.467 0.701 3.402 1.00 0.00 C ATOM 911 O ILE A 58 -10.654 0.884 2.200 1.00 0.00 O ATOM 912 CB ILE A 58 -8.433 -0.614 3.955 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.874 -2.034 3.922 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.969 0.102 5.213 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.364 -2.078 3.890 1.00 0.00 C ATOM 0 H ILE A 58 -10.063 -1.769 2.168 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.307 -0.816 4.934 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.063 -0.086 3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.229 -2.578 4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.265 -2.551 3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.880 0.114 5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.343 1.126 5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.351 -0.420 6.090 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.031 -3.116 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.004 -1.562 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.967 -1.589 4.779 1.00 0.00 H new ATOM 927 N GLU A 59 -10.670 1.629 4.308 1.00 0.00 N ATOM 928 CA GLU A 59 -11.203 2.922 3.951 1.00 0.00 C ATOM 929 C GLU A 59 -10.111 3.970 3.832 1.00 0.00 C ATOM 930 O GLU A 59 -9.349 4.226 4.764 1.00 0.00 O ATOM 931 CB GLU A 59 -12.215 3.334 5.004 1.00 0.00 C ATOM 932 CG GLU A 59 -13.636 2.900 4.689 1.00 0.00 C ATOM 933 CD GLU A 59 -13.766 1.397 4.537 1.00 0.00 C ATOM 934 OE1 GLU A 59 -13.579 0.893 3.409 1.00 0.00 O ATOM 935 OE2 GLU A 59 -14.055 0.721 5.548 1.00 0.00 O ATOM 0 H GLU A 59 -10.473 1.511 5.302 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.680 2.847 2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.920 2.911 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.192 4.418 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.300 3.240 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.965 3.384 3.769 1.00 0.00 H new ATOM 942 N GLU A 60 -10.061 4.565 2.649 1.00 0.00 N ATOM 943 CA GLU A 60 -9.092 5.596 2.313 1.00 0.00 C ATOM 944 C GLU A 60 -8.938 6.610 3.441 1.00 0.00 C ATOM 945 O GLU A 60 -7.869 7.190 3.628 1.00 0.00 O ATOM 946 CB GLU A 60 -9.544 6.309 1.047 1.00 0.00 C ATOM 947 CG GLU A 60 -10.837 7.063 1.253 1.00 0.00 C ATOM 948 CD GLU A 60 -11.086 8.114 0.189 1.00 0.00 C ATOM 949 OE1 GLU A 60 -11.545 7.746 -0.913 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.824 9.305 0.458 1.00 0.00 O ATOM 0 H GLU A 60 -10.701 4.342 1.886 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.124 5.119 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.767 7.002 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.673 5.580 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.667 6.356 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.820 7.542 2.232 1.00 0.00 H new ATOM 957 N ASP A 61 -10.017 6.817 4.187 1.00 0.00 N ATOM 958 CA ASP A 61 -10.016 7.774 5.283 1.00 0.00 C ATOM 959 C ASP A 61 -9.128 7.289 6.419 1.00 0.00 C ATOM 960 O ASP A 61 -8.257 8.014 6.901 1.00 0.00 O ATOM 961 CB ASP A 61 -11.440 7.993 5.792 1.00 0.00 C ATOM 962 CG ASP A 61 -12.330 8.647 4.753 1.00 0.00 C ATOM 963 OD1 ASP A 61 -12.957 7.913 3.959 1.00 0.00 O ATOM 964 OD2 ASP A 61 -12.401 9.894 4.735 1.00 0.00 O ATOM 0 H ASP A 61 -10.905 6.333 4.051 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.620 8.720 4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.870 7.035 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.412 8.616 6.686 1.00 0.00 H new ATOM 969 N GLU A 62 -9.360 6.053 6.840 1.00 0.00 N ATOM 970 CA GLU A 62 -8.580 5.452 7.914 1.00 0.00 C ATOM 971 C GLU A 62 -7.247 4.941 7.378 1.00 0.00 C ATOM 972 O GLU A 62 -6.283 4.777 8.125 1.00 0.00 O ATOM 973 CB GLU A 62 -9.360 4.306 8.564 1.00 0.00 C ATOM 974 CG GLU A 62 -8.631 3.660 9.732 1.00 0.00 C ATOM 975 CD GLU A 62 -9.424 2.529 10.361 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.266 1.374 9.914 1.00 0.00 O ATOM 977 OE2 GLU A 62 -10.199 2.801 11.301 1.00 0.00 O ATOM 0 H GLU A 62 -10.083 5.446 6.454 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.386 6.214 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.322 4.683 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.568 3.546 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.670 3.278 9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.422 4.417 10.488 1.00 0.00 H new ATOM 984 N LEU A 63 -7.205 4.691 6.071 1.00 0.00 N ATOM 985 CA LEU A 63 -6.003 4.205 5.412 1.00 0.00 C ATOM 986 C LEU A 63 -4.787 5.029 5.804 1.00 0.00 C ATOM 987 O LEU A 63 -3.743 4.490 6.169 1.00 0.00 O ATOM 988 CB LEU A 63 -6.195 4.254 3.900 1.00 0.00 C ATOM 989 CG LEU A 63 -5.782 2.996 3.115 1.00 0.00 C ATOM 990 CD1 LEU A 63 -4.676 2.219 3.820 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.989 2.108 2.867 1.00 0.00 C ATOM 0 H LEU A 63 -8.000 4.820 5.445 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.830 3.177 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.247 4.454 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.629 5.100 3.511 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.382 3.324 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.417 1.340 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.797 2.855 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.022 1.906 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.681 1.223 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.420 1.805 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.733 2.658 2.291 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.939 6.340 5.732 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.849 7.233 6.070 1.00 0.00 C ATOM 1005 C GLY A 64 -3.345 7.007 7.476 1.00 0.00 C ATOM 1006 O GLY A 64 -2.203 7.338 7.797 1.00 0.00 O ATOM 0 H GLY A 64 -5.800 6.805 5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.031 7.089 5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.181 8.266 5.966 1.00 0.00 H new ATOM 1010 N SER A 65 -4.200 6.444 8.317 1.00 0.00 N ATOM 1011 CA SER A 65 -3.830 6.156 9.692 1.00 0.00 C ATOM 1012 C SER A 65 -3.086 4.832 9.745 1.00 0.00 C ATOM 1013 O SER A 65 -1.906 4.779 10.063 1.00 0.00 O ATOM 1014 CB SER A 65 -5.070 6.101 10.585 1.00 0.00 C ATOM 1015 OG SER A 65 -4.717 5.863 11.937 1.00 0.00 O ATOM 0 H SER A 65 -5.153 6.178 8.070 1.00 0.00 H new ATOM 0 HA SER A 65 -3.183 6.952 10.060 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.618 7.040 10.509 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.738 5.313 10.237 1.00 0.00 H new ATOM 0 HG SER A 65 -5.528 5.834 12.487 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.775 3.768 9.365 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.183 2.437 9.366 1.00 0.00 C ATOM 1023 C ILE A 66 -1.909 2.399 8.520 1.00 0.00 C ATOM 1024 O ILE A 66 -1.098 1.481 8.646 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.176 1.390 8.829 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -3.606 -0.010 8.978 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.512 1.675 7.376 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.396 -0.431 10.416 1.00 0.00 C ATOM 0 H ILE A 66 -4.745 3.799 9.052 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.933 2.198 10.400 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.093 1.452 9.415 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.278 -0.720 8.495 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.654 -0.063 8.450 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.215 0.926 7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.961 2.665 7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.601 1.639 6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.987 -1.441 10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.700 0.256 10.898 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.349 -0.411 10.944 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.738 3.402 7.658 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.582 3.491 6.793 1.00 0.00 C ATOM 1042 C LEU A 67 0.719 3.222 7.530 1.00 0.00 C ATOM 1043 O LEU A 67 1.551 2.436 7.073 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.543 4.882 6.186 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.609 4.909 4.667 1.00 0.00 C ATOM 1046 CD1 LEU A 67 0.700 4.420 4.070 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -1.773 4.071 4.167 1.00 0.00 C ATOM 0 H LEU A 67 -2.401 4.169 7.547 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.676 2.726 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.376 5.462 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.373 5.379 6.506 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.769 5.939 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.636 4.446 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.514 5.065 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.890 3.398 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.803 4.103 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.647 3.040 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.706 4.468 4.568 1.00 0.00 H new ATOM 1059 N LYS A 68 0.891 3.867 8.676 1.00 0.00 N ATOM 1060 CA LYS A 68 2.116 3.716 9.442 1.00 0.00 C ATOM 1061 C LYS A 68 2.501 2.256 9.678 1.00 0.00 C ATOM 1062 O LYS A 68 3.639 1.978 10.048 1.00 0.00 O ATOM 1063 CB LYS A 68 2.028 4.488 10.749 1.00 0.00 C ATOM 1064 CG LYS A 68 0.672 4.439 11.416 1.00 0.00 C ATOM 1065 CD LYS A 68 0.195 3.014 11.633 1.00 0.00 C ATOM 1066 CE LYS A 68 -1.026 2.967 12.535 1.00 0.00 C ATOM 1067 NZ LYS A 68 -1.353 1.576 12.957 1.00 0.00 N ATOM 0 H LYS A 68 0.202 4.495 9.091 1.00 0.00 H new ATOM 0 HA LYS A 68 2.919 4.141 8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.773 4.094 11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.288 5.529 10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.721 4.955 12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.053 4.974 10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.044 2.559 10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.998 2.424 12.075 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.849 3.582 13.418 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.880 3.398 12.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.371 1.504 13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.103 0.914 12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.813 1.337 13.813 1.00 0.00 H new ATOM 1081 N GLY A 69 1.581 1.309 9.467 1.00 0.00 N ATOM 1082 CA GLY A 69 1.939 -0.093 9.642 1.00 0.00 C ATOM 1083 C GLY A 69 3.233 -0.411 8.912 1.00 0.00 C ATOM 1084 O GLY A 69 4.159 -0.989 9.483 1.00 0.00 O ATOM 0 H GLY A 69 0.616 1.482 9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.050 -0.316 10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.137 -0.728 9.265 1.00 0.00 H new ATOM 1088 N PHE A 70 3.279 -0.028 7.641 1.00 0.00 N ATOM 1089 CA PHE A 70 4.464 -0.212 6.816 1.00 0.00 C ATOM 1090 C PHE A 70 5.258 1.091 6.783 1.00 0.00 C ATOM 1091 O PHE A 70 6.476 1.109 6.957 1.00 0.00 O ATOM 1092 CB PHE A 70 4.087 -0.639 5.388 1.00 0.00 C ATOM 1093 CG PHE A 70 2.887 0.077 4.816 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.603 -0.326 5.155 1.00 0.00 C ATOM 1095 CD2 PHE A 70 3.038 1.140 3.933 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.499 0.316 4.632 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.929 1.784 3.403 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.661 1.371 3.757 1.00 0.00 C ATOM 0 H PHE A 70 2.499 0.417 7.157 1.00 0.00 H new ATOM 0 HA PHE A 70 5.073 -1.005 7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.942 -0.468 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.891 -1.711 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.466 -1.152 5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.029 1.468 3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.494 -0.008 4.908 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.058 2.607 2.715 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.204 1.873 3.350 1.00 0.00 H new ATOM 1108 N SER A 71 4.517 2.180 6.592 1.00 0.00 N ATOM 1109 CA SER A 71 5.064 3.533 6.506 1.00 0.00 C ATOM 1110 C SER A 71 5.553 4.074 7.853 1.00 0.00 C ATOM 1111 O SER A 71 5.961 5.229 7.937 1.00 0.00 O ATOM 1112 CB SER A 71 4.031 4.487 5.905 1.00 0.00 C ATOM 1113 OG SER A 71 2.873 4.574 6.716 1.00 0.00 O ATOM 0 H SER A 71 3.503 2.147 6.491 1.00 0.00 H new ATOM 0 HA SER A 71 5.936 3.471 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.472 5.477 5.790 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.754 4.144 4.908 1.00 0.00 H new ATOM 0 HG SER A 71 2.563 5.503 6.745 1.00 0.00 H new ATOM 1119 N SER A 72 5.479 3.273 8.915 1.00 0.00 N ATOM 1120 CA SER A 72 5.920 3.733 10.237 1.00 0.00 C ATOM 1121 C SER A 72 7.272 4.445 10.152 1.00 0.00 C ATOM 1122 O SER A 72 7.589 5.288 10.991 1.00 0.00 O ATOM 1123 CB SER A 72 6.026 2.555 11.209 1.00 0.00 C ATOM 1124 OG SER A 72 6.502 1.392 10.551 1.00 0.00 O ATOM 0 H SER A 72 5.124 2.317 8.891 1.00 0.00 H new ATOM 0 HA SER A 72 5.175 4.439 10.604 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.697 2.814 12.028 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.049 2.354 11.649 1.00 0.00 H new ATOM 0 HG SER A 72 6.562 0.654 11.193 1.00 0.00 H new ATOM 1130 N ASP A 73 8.064 4.104 9.140 1.00 0.00 N ATOM 1131 CA ASP A 73 9.358 4.742 8.942 1.00 0.00 C ATOM 1132 C ASP A 73 9.213 5.941 8.005 1.00 0.00 C ATOM 1133 O ASP A 73 9.980 6.902 8.081 1.00 0.00 O ATOM 1134 CB ASP A 73 10.367 3.745 8.383 1.00 0.00 C ATOM 1135 CG ASP A 73 10.274 2.390 9.056 1.00 0.00 C ATOM 1136 OD1 ASP A 73 10.950 2.190 10.087 1.00 0.00 O ATOM 1137 OD2 ASP A 73 9.523 1.527 8.553 1.00 0.00 O ATOM 0 H ASP A 73 7.832 3.392 8.447 1.00 0.00 H new ATOM 0 HA ASP A 73 9.726 5.094 9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.203 3.628 7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.374 4.142 8.509 1.00 0.00 H new ATOM 1142 N ALA A 74 8.218 5.868 7.123 1.00 0.00 N ATOM 1143 CA ALA A 74 7.930 6.943 6.177 1.00 0.00 C ATOM 1144 C ALA A 74 6.994 7.975 6.819 1.00 0.00 C ATOM 1145 O ALA A 74 7.016 8.157 8.036 1.00 0.00 O ATOM 1146 CB ALA A 74 7.315 6.365 4.909 1.00 0.00 C ATOM 0 H ALA A 74 7.592 5.066 7.044 1.00 0.00 H new ATOM 0 HA ALA A 74 8.859 7.447 5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.102 7.172 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.013 5.662 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.389 5.847 5.157 1.00 0.00 H new ATOM 1152 N ARG A 75 6.176 8.652 6.009 1.00 0.00 N ATOM 1153 CA ARG A 75 5.253 9.655 6.541 1.00 0.00 C ATOM 1154 C ARG A 75 3.827 9.121 6.654 1.00 0.00 C ATOM 1155 O ARG A 75 3.426 8.634 7.712 1.00 0.00 O ATOM 1156 CB ARG A 75 5.271 10.919 5.679 1.00 0.00 C ATOM 1157 CG ARG A 75 6.569 11.705 5.785 1.00 0.00 C ATOM 1158 CD ARG A 75 6.593 12.875 4.817 1.00 0.00 C ATOM 1159 NE ARG A 75 5.547 13.851 5.113 1.00 0.00 N ATOM 1160 CZ ARG A 75 5.373 14.973 4.424 1.00 0.00 C ATOM 1161 NH1 ARG A 75 6.175 15.261 3.407 1.00 0.00 N ATOM 1162 NH2 ARG A 75 4.400 15.810 4.753 1.00 0.00 N ATOM 0 H ARG A 75 6.134 8.526 4.998 1.00 0.00 H new ATOM 0 HA ARG A 75 5.596 9.901 7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.107 10.642 4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.441 11.562 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.691 12.072 6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.412 11.045 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.567 13.362 4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.467 12.506 3.799 1.00 0.00 H new ATOM 0 HE ARG A 75 4.916 13.660 5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.927 14.620 3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.040 16.123 2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.784 15.593 5.536 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.267 16.671 4.223 1.00 0.00 H new ATOM 1176 N ASP A 76 3.058 9.210 5.568 1.00 0.00 N ATOM 1177 CA ASP A 76 1.670 8.751 5.588 1.00 0.00 C ATOM 1178 C ASP A 76 0.997 8.909 4.220 1.00 0.00 C ATOM 1179 O ASP A 76 1.645 9.222 3.220 1.00 0.00 O ATOM 1180 CB ASP A 76 0.895 9.544 6.643 1.00 0.00 C ATOM 1181 CG ASP A 76 0.750 11.007 6.274 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -0.190 11.340 5.522 1.00 0.00 O ATOM 1183 OD2 ASP A 76 1.575 11.821 6.739 1.00 0.00 O ATOM 0 H ASP A 76 3.368 9.591 4.674 1.00 0.00 H new ATOM 0 HA ASP A 76 1.666 7.689 5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.094 9.104 6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.406 9.463 7.603 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.312 8.682 4.206 1.00 0.00 N ATOM 1189 CA LEU A 77 -1.135 8.771 3.001 1.00 0.00 C ATOM 1190 C LEU A 77 -2.207 9.844 3.187 1.00 0.00 C ATOM 1191 O LEU A 77 -3.387 9.535 3.356 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.779 7.408 2.782 1.00 0.00 C ATOM 1193 CG LEU A 77 -2.980 7.349 1.843 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -2.647 6.521 0.612 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.165 6.756 2.584 1.00 0.00 C ATOM 0 H LEU A 77 -0.840 8.428 5.041 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.530 9.044 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.016 6.731 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.089 7.021 3.753 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.234 8.356 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.513 6.487 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.806 6.973 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.383 5.508 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.026 6.712 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.916 5.750 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.405 7.380 3.445 1.00 0.00 H new ATOM 1207 N SER A 78 -1.787 11.104 3.156 1.00 0.00 N ATOM 1208 CA SER A 78 -2.700 12.226 3.351 1.00 0.00 C ATOM 1209 C SER A 78 -3.765 12.278 2.263 1.00 0.00 C ATOM 1210 O SER A 78 -3.854 11.386 1.420 1.00 0.00 O ATOM 1211 CB SER A 78 -1.917 13.540 3.378 1.00 0.00 C ATOM 1212 OG SER A 78 -0.952 13.538 4.417 1.00 0.00 O ATOM 0 H SER A 78 -0.817 11.375 2.997 1.00 0.00 H new ATOM 0 HA SER A 78 -3.204 12.083 4.307 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.423 13.692 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.605 14.374 3.518 1.00 0.00 H new ATOM 0 HG SER A 78 -1.007 12.695 4.913 1.00 0.00 H new ATOM 1218 N ALA A 79 -4.573 13.337 2.292 1.00 0.00 N ATOM 1219 CA ALA A 79 -5.635 13.528 1.308 1.00 0.00 C ATOM 1220 C ALA A 79 -5.110 13.301 -0.099 1.00 0.00 C ATOM 1221 O ALA A 79 -5.720 12.596 -0.904 1.00 0.00 O ATOM 1222 CB ALA A 79 -6.193 14.934 1.422 1.00 0.00 C ATOM 0 H ALA A 79 -4.511 14.078 2.990 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.425 12.804 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.985 15.072 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.597 15.085 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.398 15.657 1.239 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.968 13.911 -0.379 1.00 0.00 N ATOM 1229 CA LYS A 80 -3.332 13.788 -1.684 1.00 0.00 C ATOM 1230 C LYS A 80 -3.232 12.325 -2.102 1.00 0.00 C ATOM 1231 O LYS A 80 -3.688 11.950 -3.177 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.934 14.406 -1.634 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.941 15.904 -1.379 1.00 0.00 C ATOM 1234 CD LYS A 80 -0.535 16.439 -1.161 1.00 0.00 C ATOM 1235 CE LYS A 80 -0.527 17.955 -1.059 1.00 0.00 C ATOM 1236 NZ LYS A 80 -0.996 18.600 -2.316 1.00 0.00 N ATOM 0 H LYS A 80 -3.460 14.499 0.282 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.941 14.316 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.356 13.915 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.424 14.209 -2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.399 16.416 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.554 16.122 -0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.118 16.010 -0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.107 16.125 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.165 18.266 -0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.482 18.298 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.697 19.596 -2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.586 18.106 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.034 18.550 -2.366 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.648 11.507 -1.238 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.491 10.086 -1.504 1.00 0.00 C ATOM 1252 C GLU A 81 -3.812 9.363 -1.332 1.00 0.00 C ATOM 1253 O GLU A 81 -4.038 8.317 -1.935 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.442 9.502 -0.566 1.00 0.00 C ATOM 1255 CG GLU A 81 -0.220 10.395 -0.399 1.00 0.00 C ATOM 1256 CD GLU A 81 0.259 10.981 -1.716 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.801 10.221 -2.545 1.00 0.00 O ATOM 1258 OE2 GLU A 81 0.086 12.203 -1.919 1.00 0.00 O ATOM 0 H GLU A 81 -2.272 11.808 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.162 9.954 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.894 9.330 0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.125 8.531 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.458 11.205 0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.587 9.819 0.053 1.00 0.00 H new ATOM 1265 N THR A 82 -4.687 9.901 -0.491 1.00 0.00 N ATOM 1266 CA THR A 82 -5.987 9.287 -0.311 1.00 0.00 C ATOM 1267 C THR A 82 -6.700 9.315 -1.652 1.00 0.00 C ATOM 1268 O THR A 82 -7.211 8.304 -2.136 1.00 0.00 O ATOM 1269 CB THR A 82 -6.831 10.041 0.736 1.00 0.00 C ATOM 1270 OG1 THR A 82 -6.134 10.082 1.987 1.00 0.00 O ATOM 1271 CG2 THR A 82 -8.182 9.375 0.928 1.00 0.00 C ATOM 0 H THR A 82 -4.522 10.741 0.063 1.00 0.00 H new ATOM 0 HA THR A 82 -5.856 8.266 0.048 1.00 0.00 H new ATOM 0 HB THR A 82 -6.994 11.056 0.374 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.181 10.243 1.825 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.757 9.927 1.672 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.723 9.370 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.037 8.350 1.269 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.709 10.501 -2.245 1.00 0.00 N ATOM 1280 CA LYS A 83 -7.296 10.712 -3.554 1.00 0.00 C ATOM 1281 C LYS A 83 -6.375 10.201 -4.664 1.00 0.00 C ATOM 1282 O LYS A 83 -6.843 9.781 -5.719 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.592 12.199 -3.764 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.447 12.815 -2.670 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.935 12.651 -2.951 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.341 11.186 -3.003 1.00 0.00 C ATOM 1287 NZ LYS A 83 -11.816 11.016 -2.882 1.00 0.00 N ATOM 0 H LYS A 83 -6.309 11.342 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.228 10.148 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.649 12.742 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.096 12.328 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.205 12.350 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.210 13.875 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.509 13.160 -2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.181 13.130 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.000 10.748 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.845 10.643 -2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.053 10.004 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.138 11.412 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.288 11.513 -3.664 1.00 0.00 H new ATOM 1301 N THR A 84 -5.059 10.253 -4.426 1.00 0.00 N ATOM 1302 CA THR A 84 -4.091 9.847 -5.441 1.00 0.00 C ATOM 1303 C THR A 84 -3.767 8.355 -5.417 1.00 0.00 C ATOM 1304 O THR A 84 -3.932 7.665 -6.422 1.00 0.00 O ATOM 1305 CB THR A 84 -2.778 10.651 -5.314 1.00 0.00 C ATOM 1306 OG1 THR A 84 -3.043 12.046 -5.497 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.746 10.199 -6.341 1.00 0.00 C ATOM 0 H THR A 84 -4.647 10.569 -3.548 1.00 0.00 H new ATOM 0 HA THR A 84 -4.571 10.062 -6.395 1.00 0.00 H new ATOM 0 HB THR A 84 -2.374 10.473 -4.317 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.588 12.376 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.835 10.785 -6.223 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.520 9.143 -6.190 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.144 10.345 -7.345 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.310 7.858 -4.275 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.936 6.448 -4.174 1.00 0.00 C ATOM 1317 C LEU A 85 -4.134 5.525 -3.989 1.00 0.00 C ATOM 1318 O LEU A 85 -4.317 4.583 -4.762 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.953 6.233 -3.026 1.00 0.00 C ATOM 1320 CG LEU A 85 -1.566 4.777 -2.773 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.435 4.361 -3.693 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -1.185 4.569 -1.315 1.00 0.00 C ATOM 0 H LEU A 85 -3.190 8.397 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.466 6.191 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.047 6.804 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.388 6.642 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.429 4.147 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.172 3.321 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.752 4.468 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.433 4.995 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.913 3.526 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.337 5.207 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.032 4.825 -0.678 1.00 0.00 H new ATOM 1334 N MET A 86 -4.974 5.803 -2.996 1.00 0.00 N ATOM 1335 CA MET A 86 -6.127 4.932 -2.755 1.00 0.00 C ATOM 1336 C MET A 86 -7.083 4.945 -3.937 1.00 0.00 C ATOM 1337 O MET A 86 -7.455 3.889 -4.450 1.00 0.00 O ATOM 1338 CB MET A 86 -6.850 5.316 -1.464 1.00 0.00 C ATOM 1339 CG MET A 86 -5.897 5.568 -0.308 1.00 0.00 C ATOM 1340 SD MET A 86 -4.665 4.262 -0.126 1.00 0.00 S ATOM 1341 CE MET A 86 -5.703 2.804 -0.198 1.00 0.00 C ATOM 0 H MET A 86 -4.887 6.597 -2.362 1.00 0.00 H new ATOM 0 HA MET A 86 -5.752 3.915 -2.639 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.446 6.212 -1.639 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.543 4.520 -1.191 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.391 6.521 -0.461 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.468 5.655 0.616 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.149 1.944 0.178 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.591 2.959 0.414 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.001 2.620 -1.230 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.468 6.132 -4.379 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.361 6.254 -5.524 1.00 0.00 C ATOM 1353 C ALA A 87 -7.809 5.471 -6.713 1.00 0.00 C ATOM 1354 O ALA A 87 -8.558 5.048 -7.594 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.562 7.716 -5.883 1.00 0.00 C ATOM 0 H ALA A 87 -7.180 7.019 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.331 5.832 -5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.231 7.792 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.999 8.242 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.601 8.165 -6.133 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.487 5.281 -6.732 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.832 4.548 -7.810 1.00 0.00 C ATOM 1363 C ALA A 88 -6.023 3.044 -7.642 1.00 0.00 C ATOM 1364 O ALA A 88 -6.643 2.393 -8.482 1.00 0.00 O ATOM 1365 CB ALA A 88 -4.350 4.890 -7.854 1.00 0.00 C ATOM 0 H ALA A 88 -5.852 5.626 -6.012 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.291 4.845 -8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.873 4.337 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.228 5.960 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.886 4.619 -6.906 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.488 2.497 -6.552 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.619 1.072 -6.298 1.00 0.00 C ATOM 1373 C GLY A 89 -7.055 0.606 -6.410 1.00 0.00 C ATOM 1374 O GLY A 89 -7.330 -0.522 -6.819 1.00 0.00 O ATOM 0 H GLY A 89 -4.968 3.014 -5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.002 0.519 -7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.241 0.845 -5.301 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.967 1.492 -6.039 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.397 1.220 -6.096 1.00 0.00 C ATOM 1380 C ASP A 90 -9.980 1.755 -7.399 1.00 0.00 C ATOM 1381 O ASP A 90 -11.077 2.299 -7.418 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.124 1.822 -4.892 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.034 3.336 -4.851 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.225 3.971 -5.908 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -9.777 3.885 -3.759 1.00 0.00 O ATOM 0 H ASP A 90 -7.737 2.422 -5.689 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.541 0.140 -6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.172 1.525 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.701 1.412 -3.975 1.00 0.00 H new ATOM 1390 N LYS A 91 -9.208 1.601 -8.474 1.00 0.00 N ATOM 1391 CA LYS A 91 -9.553 2.079 -9.808 1.00 0.00 C ATOM 1392 C LYS A 91 -11.053 2.145 -10.077 1.00 0.00 C ATOM 1393 O LYS A 91 -11.526 3.048 -10.770 1.00 0.00 O ATOM 1394 CB LYS A 91 -8.931 1.114 -10.789 1.00 0.00 C ATOM 1395 CG LYS A 91 -8.789 1.665 -12.177 1.00 0.00 C ATOM 1396 CD LYS A 91 -7.884 2.882 -12.198 1.00 0.00 C ATOM 1397 CE LYS A 91 -7.365 3.167 -13.598 1.00 0.00 C ATOM 1398 NZ LYS A 91 -6.420 4.317 -13.620 1.00 0.00 N ATOM 0 H LYS A 91 -8.304 1.129 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.183 3.100 -9.906 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.947 0.822 -10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.538 0.209 -10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.384 0.897 -12.836 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.771 1.933 -12.566 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.431 3.749 -11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.043 2.723 -11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.865 2.280 -13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.205 3.376 -14.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.222 4.585 -14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.844 5.124 -13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.533 4.046 -13.150 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.796 1.202 -9.536 1.00 0.00 N ATOM 1413 CA ASP A 92 -13.245 1.181 -9.725 1.00 0.00 C ATOM 1414 C ASP A 92 -13.874 2.510 -9.291 1.00 0.00 C ATOM 1415 O ASP A 92 -14.991 2.838 -9.693 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.867 0.025 -8.938 1.00 0.00 C ATOM 1417 CG ASP A 92 -15.364 -0.086 -9.156 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -16.118 0.650 -8.485 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -15.782 -0.910 -9.996 1.00 0.00 O ATOM 0 H ASP A 92 -11.430 0.441 -8.964 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.445 1.037 -10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.390 -0.910 -9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.667 0.164 -7.876 1.00 0.00 H new ATOM 1424 N GLY A 93 -13.149 3.270 -8.471 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.624 4.566 -8.020 1.00 0.00 C ATOM 1426 C GLY A 93 -14.497 4.499 -6.781 1.00 0.00 C ATOM 1427 O GLY A 93 -15.486 5.222 -6.674 1.00 0.00 O ATOM 0 H GLY A 93 -12.233 3.006 -8.109 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.766 5.206 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.187 5.037 -8.826 1.00 0.00 H new ATOM 1431 N ASP A 94 -14.133 3.634 -5.842 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.888 3.504 -4.601 1.00 0.00 C ATOM 1433 C ASP A 94 -14.198 4.246 -3.456 1.00 0.00 C ATOM 1434 O ASP A 94 -14.761 4.387 -2.372 1.00 0.00 O ATOM 1435 CB ASP A 94 -15.058 2.030 -4.227 1.00 0.00 C ATOM 1436 CG ASP A 94 -15.820 1.247 -5.279 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -15.175 0.710 -6.203 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -17.062 1.170 -5.177 1.00 0.00 O ATOM 0 H ASP A 94 -13.325 3.016 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.870 3.949 -4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -14.076 1.579 -4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.583 1.959 -3.275 1.00 0.00 H new ATOM 1443 N GLY A 95 -12.978 4.731 -3.706 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.235 5.434 -2.681 1.00 0.00 C ATOM 1445 C GLY A 95 -11.863 4.526 -1.533 1.00 0.00 C ATOM 1446 O GLY A 95 -11.670 4.976 -0.407 1.00 0.00 O ATOM 0 H GLY A 95 -12.497 4.646 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.330 5.859 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.831 6.267 -2.307 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.772 3.237 -1.825 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.418 2.240 -0.824 1.00 0.00 C ATOM 1452 C LYS A 96 -10.803 1.032 -1.503 1.00 0.00 C ATOM 1453 O LYS A 96 -11.224 0.640 -2.591 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.653 1.816 -0.025 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.585 2.972 0.284 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.853 2.506 0.974 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.868 3.630 1.065 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.317 4.083 -0.281 1.00 0.00 N ATOM 0 H LYS A 96 -11.940 2.854 -2.755 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.695 2.677 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.198 1.057 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.334 1.354 0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.071 3.694 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.843 3.488 -0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.282 1.667 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.615 2.145 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.730 3.295 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.431 4.471 1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.116 4.740 -0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.533 4.565 -0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.616 3.260 -0.842 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.808 0.441 -0.864 1.00 0.00 N ATOM 1473 CA ILE A 97 -9.147 -0.716 -1.431 1.00 0.00 C ATOM 1474 C ILE A 97 -9.323 -1.944 -0.554 1.00 0.00 C ATOM 1475 O ILE A 97 -9.226 -1.870 0.670 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.642 -0.464 -1.642 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -7.427 0.772 -2.518 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.980 -1.681 -2.270 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.976 1.006 -2.883 1.00 0.00 C ATOM 0 H ILE A 97 -9.444 0.742 0.040 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.617 -0.895 -2.398 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.182 -0.285 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.011 0.666 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.808 1.649 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.917 -1.485 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.106 -2.543 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.442 -1.889 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.896 1.898 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.390 1.143 -1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.596 0.145 -3.433 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.614 -3.061 -1.200 1.00 0.00 N ATOM 1492 CA GLY A 98 -9.767 -4.317 -0.506 1.00 0.00 C ATOM 1493 C GLY A 98 -8.776 -5.327 -1.034 1.00 0.00 C ATOM 1494 O GLY A 98 -7.740 -4.947 -1.576 1.00 0.00 O ATOM 0 H GLY A 98 -9.749 -3.117 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.614 -4.171 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.783 -4.691 -0.635 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.075 -6.606 -0.892 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.175 -7.637 -1.384 1.00 0.00 C ATOM 1500 C VAL A 99 -8.131 -7.641 -2.914 1.00 0.00 C ATOM 1501 O VAL A 99 -7.099 -7.940 -3.514 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.581 -9.037 -0.875 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -9.865 -9.509 -1.538 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.455 -10.034 -1.108 1.00 0.00 C ATOM 0 H VAL A 99 -9.923 -6.954 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.183 -7.404 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.766 -8.968 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.127 -10.497 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.670 -8.809 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.720 -9.559 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.757 -11.016 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.237 -10.094 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.563 -9.707 -0.573 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.262 -7.307 -3.539 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.355 -7.290 -5.003 1.00 0.00 C ATOM 1516 C GLU A 100 -8.634 -6.085 -5.595 1.00 0.00 C ATOM 1517 O GLU A 100 -7.753 -6.226 -6.444 1.00 0.00 O ATOM 1518 CB GLU A 100 -10.813 -7.262 -5.488 1.00 0.00 C ATOM 1519 CG GLU A 100 -11.844 -7.587 -4.433 1.00 0.00 C ATOM 1520 CD GLU A 100 -11.653 -8.964 -3.826 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -10.868 -9.757 -4.388 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -12.291 -9.249 -2.790 1.00 0.00 O ATOM 0 H GLU A 100 -10.123 -7.046 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.879 -8.210 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.027 -6.272 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.920 -7.970 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.797 -6.837 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.839 -7.524 -4.873 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.020 -4.899 -5.130 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.439 -3.654 -5.624 1.00 0.00 C ATOM 1531 C GLU A 101 -6.941 -3.567 -5.358 1.00 0.00 C ATOM 1532 O GLU A 101 -6.203 -2.989 -6.158 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.156 -2.458 -5.010 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.503 -2.180 -5.650 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.357 -3.426 -5.775 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -12.103 -3.734 -4.822 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -11.280 -4.096 -6.828 1.00 0.00 O ATOM 0 H GLU A 101 -9.733 -4.774 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.574 -3.641 -6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.296 -2.634 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.525 -1.575 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.036 -1.437 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.349 -1.749 -6.639 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.483 -4.132 -4.244 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.058 -4.090 -3.927 1.00 0.00 C ATOM 1546 C PHE A 102 -4.246 -4.613 -5.104 1.00 0.00 C ATOM 1547 O PHE A 102 -3.086 -4.248 -5.286 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.745 -4.891 -2.666 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.652 -4.274 -1.849 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -3.888 -3.142 -1.086 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.390 -4.824 -1.850 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.874 -2.571 -0.339 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.369 -4.263 -1.106 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.613 -3.133 -0.348 1.00 0.00 C ATOM 0 H PHE A 102 -7.064 -4.615 -3.558 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.783 -3.052 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.646 -4.972 -2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.457 -5.904 -2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.874 -2.701 -1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.195 -5.707 -2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.068 -1.687 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.384 -4.706 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.819 -2.691 0.236 1.00 0.00 H new ATOM 1564 N SER A 103 -4.873 -5.474 -5.903 1.00 0.00 N ATOM 1565 CA SER A 103 -4.227 -6.021 -7.086 1.00 0.00 C ATOM 1566 C SER A 103 -4.258 -4.983 -8.199 1.00 0.00 C ATOM 1567 O SER A 103 -3.274 -4.790 -8.915 1.00 0.00 O ATOM 1568 CB SER A 103 -4.930 -7.302 -7.540 1.00 0.00 C ATOM 1569 OG SER A 103 -4.299 -7.852 -8.685 1.00 0.00 O ATOM 0 H SER A 103 -5.826 -5.805 -5.750 1.00 0.00 H new ATOM 0 HA SER A 103 -3.193 -6.268 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.921 -8.032 -6.730 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.975 -7.087 -7.765 1.00 0.00 H new ATOM 0 HG SER A 103 -4.766 -8.670 -8.954 1.00 0.00 H new ATOM 1575 N THR A 104 -5.399 -4.306 -8.328 1.00 0.00 N ATOM 1576 CA THR A 104 -5.561 -3.269 -9.336 1.00 0.00 C ATOM 1577 C THR A 104 -4.490 -2.203 -9.159 1.00 0.00 C ATOM 1578 O THR A 104 -3.955 -1.670 -10.131 1.00 0.00 O ATOM 1579 CB THR A 104 -6.954 -2.608 -9.254 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.977 -3.606 -9.372 1.00 0.00 O ATOM 1581 CG2 THR A 104 -7.125 -1.573 -10.356 1.00 0.00 C ATOM 0 H THR A 104 -6.222 -4.460 -7.745 1.00 0.00 H new ATOM 0 HA THR A 104 -5.462 -3.741 -10.314 1.00 0.00 H new ATOM 0 HB THR A 104 -7.040 -2.110 -8.288 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.858 -3.180 -9.317 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.113 -1.120 -10.279 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.363 -0.801 -10.251 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.022 -2.056 -11.328 1.00 0.00 H new ATOM 1589 N LEU A 105 -4.181 -1.909 -7.902 1.00 0.00 N ATOM 1590 CA LEU A 105 -3.170 -0.915 -7.573 1.00 0.00 C ATOM 1591 C LEU A 105 -1.817 -1.339 -8.128 1.00 0.00 C ATOM 1592 O LEU A 105 -1.030 -0.508 -8.581 1.00 0.00 O ATOM 1593 CB LEU A 105 -3.094 -0.729 -6.057 1.00 0.00 C ATOM 1594 CG LEU A 105 -2.539 0.616 -5.588 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -2.240 0.579 -4.099 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -1.300 0.988 -6.382 1.00 0.00 C ATOM 0 H LEU A 105 -4.619 -2.347 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.446 0.037 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.094 -0.855 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.474 -1.523 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.295 1.382 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.846 1.545 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.156 0.363 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.503 -0.198 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.919 1.948 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.536 0.223 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.554 1.060 -7.440 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.553 -2.642 -8.093 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.300 -3.173 -8.608 1.00 0.00 C ATOM 1610 C VAL A 106 -0.136 -2.795 -10.074 1.00 0.00 C ATOM 1611 O VAL A 106 0.976 -2.573 -10.550 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.231 -4.706 -8.464 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.081 -5.236 -9.020 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.404 -5.115 -7.009 1.00 0.00 C ATOM 0 H VAL A 106 -2.188 -3.345 -7.715 1.00 0.00 H new ATOM 0 HA VAL A 106 0.508 -2.738 -8.020 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.047 -5.143 -9.040 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.112 -6.320 -8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.160 -4.976 -10.076 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.913 -4.792 -8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.352 -6.201 -6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.388 -4.668 -6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.372 -4.770 -6.647 1.00 0.00 H new ATOM 1624 N ALA A 107 -1.260 -2.725 -10.783 1.00 0.00 N ATOM 1625 CA ALA A 107 -1.256 -2.358 -12.193 1.00 0.00 C ATOM 1626 C ALA A 107 -1.158 -0.846 -12.339 1.00 0.00 C ATOM 1627 O ALA A 107 -0.637 -0.337 -13.333 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.509 -2.879 -12.882 1.00 0.00 C ATOM 0 H ALA A 107 -2.186 -2.918 -10.401 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.388 -2.813 -12.671 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.490 -2.596 -13.934 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.545 -3.965 -12.799 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.391 -2.449 -12.407 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.668 -0.134 -11.339 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.640 1.321 -11.335 1.00 0.00 C ATOM 1636 C GLU A 108 -0.212 1.832 -11.250 1.00 0.00 C ATOM 1637 O GLU A 108 0.312 2.420 -12.197 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.439 1.859 -10.155 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.933 1.672 -10.321 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.582 2.803 -11.098 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.991 3.799 -10.466 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.677 2.691 -12.338 1.00 0.00 O ATOM 0 H GLU A 108 -2.108 -0.546 -10.516 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.086 1.670 -12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.114 1.357 -9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.222 2.920 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.122 0.729 -10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.397 1.599 -9.338 1.00 0.00 H new ATOM 1649 N SER A 109 0.411 1.600 -10.102 1.00 0.00 N ATOM 1650 CA SER A 109 1.780 2.033 -9.873 1.00 0.00 C ATOM 1651 C SER A 109 2.691 1.584 -11.011 1.00 0.00 C ATOM 1652 O SER A 109 2.842 2.351 -11.986 1.00 0.00 O ATOM 1653 CB SER A 109 2.297 1.479 -8.547 1.00 0.00 C ATOM 1654 OG SER A 109 3.707 1.497 -8.519 1.00 0.00 O ATOM 1655 OXT SER A 109 3.246 0.469 -10.921 1.00 0.00 O ATOM 0 H SER A 109 -0.013 1.112 -9.313 1.00 0.00 H new ATOM 0 HA SER A 109 1.787 3.122 -9.833 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.904 2.071 -7.721 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.938 0.459 -8.408 1.00 0.00 H new ATOM 0 HG SER A 109 4.014 2.247 -7.968 1.00 0.00 H new TER 1661 SER A 109