USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 416 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 40 TYR OH : rot -74:sc= 0.337 USER MOD Set 1.2: A 44 HIS : no HD1:sc= -4.3! C(o=-4!,f=-4.7!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 23:sc= 0.164 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 8 HIS : no HD1:sc= -0.736 K(o=-0.74,f=-0.13) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= -0.0144 (180deg=-0.141) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -114:sc= 0.0635 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0217 K(o=-0.022,f=-2.3!) USER MOD Single : A 19 CYS SG : rot 76:sc= 0.131 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0.786) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 35 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.04) USER MOD Single : A 38 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.024) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 7.636 6.854 -16.343 1.00 0.00 N ATOM 2 CA GLY A -2 6.930 6.782 -17.609 1.00 0.00 C ATOM 3 C GLY A -2 5.558 7.423 -17.546 1.00 0.00 C ATOM 4 O GLY A -2 4.998 7.601 -16.465 1.00 0.00 O ATOM 0 H1 GLY A -2 8.471 7.466 -16.445 1.00 0.00 H new ATOM 0 H2 GLY A -2 7.005 7.248 -15.616 1.00 0.00 H new ATOM 0 H3 GLY A -2 7.938 5.900 -16.059 1.00 0.00 H new ATOM 0 HA2 GLY A -2 7.522 7.274 -18.380 1.00 0.00 H new ATOM 0 HA3 GLY A -2 6.826 5.738 -17.905 1.00 0.00 H new ATOM 8 N SER A -1 5.016 7.773 -18.708 1.00 0.00 N ATOM 9 CA SER A -1 3.703 8.404 -18.780 1.00 0.00 C ATOM 10 C SER A -1 3.588 9.536 -17.764 1.00 0.00 C ATOM 11 O SER A -1 2.582 9.659 -17.066 1.00 0.00 O ATOM 12 CB SER A -1 2.603 7.370 -18.534 1.00 0.00 C ATOM 13 OG SER A -1 2.504 6.463 -19.619 1.00 0.00 O ATOM 0 H SER A -1 5.466 7.630 -19.612 1.00 0.00 H new ATOM 0 HA SER A -1 3.582 8.822 -19.779 1.00 0.00 H new ATOM 0 HB2 SER A -1 2.814 6.822 -17.616 1.00 0.00 H new ATOM 0 HB3 SER A -1 1.649 7.877 -18.391 1.00 0.00 H new ATOM 0 HG SER A -1 1.795 5.811 -19.437 1.00 0.00 H new ATOM 19 N SER A 0 4.627 10.362 -17.688 1.00 0.00 N ATOM 20 CA SER A 0 4.646 11.483 -16.756 1.00 0.00 C ATOM 21 C SER A 0 4.411 11.004 -15.326 1.00 0.00 C ATOM 22 O SER A 0 3.636 11.601 -14.579 1.00 0.00 O ATOM 23 CB SER A 0 3.582 12.513 -17.142 1.00 0.00 C ATOM 24 OG SER A 0 3.946 13.202 -18.326 1.00 0.00 O ATOM 0 H SER A 0 5.467 10.276 -18.261 1.00 0.00 H new ATOM 0 HA SER A 0 5.629 11.950 -16.808 1.00 0.00 H new ATOM 0 HB2 SER A 0 2.624 12.014 -17.288 1.00 0.00 H new ATOM 0 HB3 SER A 0 3.449 13.226 -16.328 1.00 0.00 H new ATOM 0 HG SER A 0 3.250 13.853 -18.553 1.00 0.00 H new ATOM 30 N GLY A 1 5.087 9.922 -14.953 1.00 0.00 N ATOM 31 CA GLY A 1 4.938 9.380 -13.614 1.00 0.00 C ATOM 32 C GLY A 1 3.492 9.094 -13.262 1.00 0.00 C ATOM 33 O GLY A 1 2.806 9.941 -12.690 1.00 0.00 O ATOM 0 H GLY A 1 5.735 9.411 -15.553 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.518 8.461 -13.531 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.352 10.084 -12.892 1.00 0.00 H new ATOM 37 N SER A 2 3.027 7.897 -13.604 1.00 0.00 N ATOM 38 CA SER A 2 1.651 7.503 -13.325 1.00 0.00 C ATOM 39 C SER A 2 1.602 6.432 -12.240 1.00 0.00 C ATOM 40 O SER A 2 2.294 5.417 -12.322 1.00 0.00 O ATOM 41 CB SER A 2 0.978 6.986 -14.598 1.00 0.00 C ATOM 42 OG SER A 2 1.610 5.807 -15.067 1.00 0.00 O ATOM 0 H SER A 2 3.583 7.183 -14.075 1.00 0.00 H new ATOM 0 HA SER A 2 1.113 8.381 -12.969 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.075 6.784 -14.400 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.015 7.754 -15.370 1.00 0.00 H new ATOM 0 HG SER A 2 2.074 5.367 -14.324 1.00 0.00 H new ATOM 48 N SER A 3 0.779 6.666 -11.223 1.00 0.00 N ATOM 49 CA SER A 3 0.642 5.724 -10.118 1.00 0.00 C ATOM 50 C SER A 3 0.588 4.288 -10.632 1.00 0.00 C ATOM 51 O SER A 3 0.215 4.040 -11.778 1.00 0.00 O ATOM 52 CB SER A 3 -0.618 6.035 -9.309 1.00 0.00 C ATOM 53 OG SER A 3 -0.805 5.088 -8.271 1.00 0.00 O ATOM 0 H SER A 3 0.197 7.500 -11.141 1.00 0.00 H new ATOM 0 HA SER A 3 1.515 5.829 -9.473 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.543 7.036 -8.883 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.486 6.033 -9.968 1.00 0.00 H new ATOM 0 HG SER A 3 -1.616 5.310 -7.768 1.00 0.00 H new ATOM 59 N GLY A 4 0.964 3.345 -9.774 1.00 0.00 N ATOM 60 CA GLY A 4 0.953 1.945 -10.158 1.00 0.00 C ATOM 61 C GLY A 4 2.205 1.213 -9.719 1.00 0.00 C ATOM 62 O GLY A 4 2.749 0.396 -10.463 1.00 0.00 O ATOM 0 H GLY A 4 1.276 3.525 -8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.080 1.459 -9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.853 1.869 -11.241 1.00 0.00 H new ATOM 66 N VAL A 5 2.667 1.507 -8.508 1.00 0.00 N ATOM 67 CA VAL A 5 3.864 0.871 -7.971 1.00 0.00 C ATOM 68 C VAL A 5 3.566 -0.545 -7.491 1.00 0.00 C ATOM 69 O VAL A 5 2.463 -0.835 -7.028 1.00 0.00 O ATOM 70 CB VAL A 5 4.456 1.683 -6.804 1.00 0.00 C ATOM 71 CG1 VAL A 5 4.857 3.074 -7.270 1.00 0.00 C ATOM 72 CG2 VAL A 5 3.463 1.762 -5.654 1.00 0.00 C ATOM 0 H VAL A 5 2.230 2.182 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 5 4.592 0.831 -8.782 1.00 0.00 H new ATOM 0 HB VAL A 5 5.351 1.174 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.273 3.633 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.605 2.992 -8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.981 3.596 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.897 2.339 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.549 2.247 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.231 0.756 -5.304 1.00 0.00 H new ATOM 82 N GLU A 6 4.557 -1.424 -7.605 1.00 0.00 N ATOM 83 CA GLU A 6 4.400 -2.811 -7.183 1.00 0.00 C ATOM 84 C GLU A 6 4.380 -2.917 -5.660 1.00 0.00 C ATOM 85 O GLU A 6 5.419 -3.108 -5.026 1.00 0.00 O ATOM 86 CB GLU A 6 5.531 -3.671 -7.750 1.00 0.00 C ATOM 87 CG GLU A 6 5.538 -3.743 -9.268 1.00 0.00 C ATOM 88 CD GLU A 6 6.142 -2.508 -9.907 1.00 0.00 C ATOM 89 OE1 GLU A 6 5.418 -1.501 -10.051 1.00 0.00 O ATOM 90 OE2 GLU A 6 7.338 -2.549 -10.265 1.00 0.00 O ATOM 0 H GLU A 6 5.476 -1.200 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 6 3.448 -3.176 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.486 -3.271 -7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.446 -4.680 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.099 -4.622 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.517 -3.871 -9.627 1.00 0.00 H new ATOM 97 N LEU A 7 3.192 -2.792 -5.080 1.00 0.00 N ATOM 98 CA LEU A 7 3.035 -2.873 -3.632 1.00 0.00 C ATOM 99 C LEU A 7 3.333 -4.282 -3.130 1.00 0.00 C ATOM 100 O LEU A 7 4.231 -4.484 -2.312 1.00 0.00 O ATOM 101 CB LEU A 7 1.617 -2.464 -3.229 1.00 0.00 C ATOM 102 CG LEU A 7 1.254 -0.995 -3.446 1.00 0.00 C ATOM 103 CD1 LEU A 7 -0.246 -0.790 -3.309 1.00 0.00 C ATOM 104 CD2 LEU A 7 2.008 -0.109 -2.465 1.00 0.00 C ATOM 0 H LEU A 7 2.323 -2.634 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 7 3.748 -2.186 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.911 -3.078 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.479 -2.699 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 7 1.547 -0.714 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.485 0.262 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.765 -1.396 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.564 -1.089 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.737 0.933 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.747 -0.391 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.081 -0.234 -2.612 1.00 0.00 H new ATOM 116 N HIS A 8 2.575 -5.254 -3.627 1.00 0.00 N ATOM 117 CA HIS A 8 2.760 -6.646 -3.231 1.00 0.00 C ATOM 118 C HIS A 8 4.234 -6.949 -2.982 1.00 0.00 C ATOM 119 O HIS A 8 4.579 -7.692 -2.064 1.00 0.00 O ATOM 120 CB HIS A 8 2.210 -7.582 -4.308 1.00 0.00 C ATOM 121 CG HIS A 8 2.734 -7.289 -5.680 1.00 0.00 C ATOM 122 ND1 HIS A 8 3.515 -8.175 -6.392 1.00 0.00 N ATOM 123 CD2 HIS A 8 2.583 -6.202 -6.472 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.824 -7.645 -7.562 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.270 -6.448 -7.636 1.00 0.00 N ATOM 0 H HIS A 8 1.827 -5.104 -4.304 1.00 0.00 H new ATOM 0 HA HIS A 8 2.212 -6.810 -2.303 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.458 -8.610 -4.045 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.122 -7.509 -4.320 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.026 -5.308 -6.233 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.427 -8.111 -8.328 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.341 -5.810 -8.429 1.00 0.00 H new ATOM 133 N LYS A 9 5.100 -6.368 -3.806 1.00 0.00 N ATOM 134 CA LYS A 9 6.537 -6.574 -3.675 1.00 0.00 C ATOM 135 C LYS A 9 7.016 -6.201 -2.276 1.00 0.00 C ATOM 136 O LYS A 9 7.674 -6.994 -1.601 1.00 0.00 O ATOM 137 CB LYS A 9 7.289 -5.748 -4.721 1.00 0.00 C ATOM 138 CG LYS A 9 7.181 -6.306 -6.130 1.00 0.00 C ATOM 139 CD LYS A 9 8.262 -7.337 -6.405 1.00 0.00 C ATOM 140 CE LYS A 9 8.114 -7.943 -7.793 1.00 0.00 C ATOM 141 NZ LYS A 9 8.258 -6.918 -8.863 1.00 0.00 N ATOM 0 H LYS A 9 4.831 -5.750 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 9 6.743 -7.632 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.903 -4.729 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.341 -5.693 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.200 -6.760 -6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.260 -5.493 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.243 -6.871 -6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.213 -8.126 -5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.865 -8.721 -7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.139 -8.422 -7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.321 -7.389 -9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.432 -6.286 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.122 -6.363 -8.698 1.00 0.00 H new ATOM 155 N LEU A 10 6.681 -4.989 -1.846 1.00 0.00 N ATOM 156 CA LEU A 10 7.076 -4.511 -0.525 1.00 0.00 C ATOM 157 C LEU A 10 6.860 -5.589 0.532 1.00 0.00 C ATOM 158 O LEU A 10 5.856 -6.301 0.513 1.00 0.00 O ATOM 159 CB LEU A 10 6.283 -3.255 -0.158 1.00 0.00 C ATOM 160 CG LEU A 10 6.408 -2.076 -1.124 1.00 0.00 C ATOM 161 CD1 LEU A 10 5.365 -1.015 -0.809 1.00 0.00 C ATOM 162 CD2 LEU A 10 7.809 -1.484 -1.064 1.00 0.00 C ATOM 0 H LEU A 10 6.138 -4.320 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 10 8.138 -4.267 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.230 -3.525 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.602 -2.924 0.831 1.00 0.00 H new ATOM 0 HG LEU A 10 6.232 -2.440 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.469 -0.184 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.368 -1.445 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.509 -0.654 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.880 -0.646 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.014 -1.135 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.538 -2.246 -1.340 1.00 0.00 H new ATOM 174 N LYS A 11 7.809 -5.704 1.455 1.00 0.00 N ATOM 175 CA LYS A 11 7.723 -6.692 2.523 1.00 0.00 C ATOM 176 C LYS A 11 6.714 -6.261 3.583 1.00 0.00 C ATOM 177 O LYS A 11 6.180 -5.152 3.533 1.00 0.00 O ATOM 178 CB LYS A 11 9.096 -6.901 3.166 1.00 0.00 C ATOM 179 CG LYS A 11 10.115 -7.530 2.231 1.00 0.00 C ATOM 180 CD LYS A 11 11.503 -7.545 2.850 1.00 0.00 C ATOM 181 CE LYS A 11 12.162 -6.176 2.775 1.00 0.00 C ATOM 182 NZ LYS A 11 13.556 -6.202 3.298 1.00 0.00 N ATOM 0 H LYS A 11 8.648 -5.124 1.484 1.00 0.00 H new ATOM 0 HA LYS A 11 7.387 -7.632 2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.477 -5.940 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.983 -7.534 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.811 -8.549 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.140 -6.976 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.435 -7.860 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.124 -8.278 2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.169 -5.832 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.573 -5.458 3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.970 -5.251 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.548 -6.505 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.125 -6.868 2.737 1.00 0.00 H new ATOM 196 N LEU A 12 6.458 -7.144 4.543 1.00 0.00 N ATOM 197 CA LEU A 12 5.514 -6.854 5.617 1.00 0.00 C ATOM 198 C LEU A 12 5.928 -5.601 6.382 1.00 0.00 C ATOM 199 O LEU A 12 5.100 -4.738 6.674 1.00 0.00 O ATOM 200 CB LEU A 12 5.420 -8.042 6.575 1.00 0.00 C ATOM 201 CG LEU A 12 4.108 -8.179 7.348 1.00 0.00 C ATOM 202 CD1 LEU A 12 2.977 -8.582 6.415 1.00 0.00 C ATOM 203 CD2 LEU A 12 4.257 -9.190 8.476 1.00 0.00 C ATOM 0 H LEU A 12 6.891 -8.066 4.599 1.00 0.00 H new ATOM 0 HA LEU A 12 4.536 -6.678 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.579 -8.957 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.236 -7.969 7.294 1.00 0.00 H new ATOM 0 HG LEU A 12 3.863 -7.210 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.052 -8.674 6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.854 -7.822 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.213 -9.538 5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.314 -9.275 9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.526 -10.161 8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.038 -8.859 9.160 1.00 0.00 H new ATOM 215 N ALA A 13 7.214 -5.507 6.701 1.00 0.00 N ATOM 216 CA ALA A 13 7.739 -4.357 7.428 1.00 0.00 C ATOM 217 C ALA A 13 7.516 -3.066 6.649 1.00 0.00 C ATOM 218 O ALA A 13 7.129 -2.046 7.219 1.00 0.00 O ATOM 219 CB ALA A 13 9.220 -4.549 7.722 1.00 0.00 C ATOM 0 H ALA A 13 7.912 -6.213 6.468 1.00 0.00 H new ATOM 0 HA ALA A 13 7.199 -4.279 8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.598 -3.683 8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.358 -5.445 8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.766 -4.657 6.785 1.00 0.00 H new ATOM 225 N GLU A 14 7.762 -3.118 5.343 1.00 0.00 N ATOM 226 CA GLU A 14 7.588 -1.950 4.487 1.00 0.00 C ATOM 227 C GLU A 14 6.121 -1.534 4.426 1.00 0.00 C ATOM 228 O GLU A 14 5.797 -0.348 4.508 1.00 0.00 O ATOM 229 CB GLU A 14 8.106 -2.243 3.077 1.00 0.00 C ATOM 230 CG GLU A 14 9.601 -2.021 2.920 1.00 0.00 C ATOM 231 CD GLU A 14 10.081 -2.267 1.503 1.00 0.00 C ATOM 232 OE1 GLU A 14 9.476 -3.112 0.810 1.00 0.00 O ATOM 233 OE2 GLU A 14 11.061 -1.615 1.086 1.00 0.00 O ATOM 0 H GLU A 14 8.082 -3.955 4.856 1.00 0.00 H new ATOM 0 HA GLU A 14 8.163 -1.128 4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.872 -3.276 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.576 -1.610 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.845 -0.999 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.136 -2.682 3.601 1.00 0.00 H new ATOM 240 N LEU A 15 5.239 -2.516 4.280 1.00 0.00 N ATOM 241 CA LEU A 15 3.806 -2.253 4.207 1.00 0.00 C ATOM 242 C LEU A 15 3.308 -1.592 5.488 1.00 0.00 C ATOM 243 O LEU A 15 2.533 -0.636 5.445 1.00 0.00 O ATOM 244 CB LEU A 15 3.041 -3.555 3.961 1.00 0.00 C ATOM 245 CG LEU A 15 3.271 -4.222 2.604 1.00 0.00 C ATOM 246 CD1 LEU A 15 2.614 -5.593 2.566 1.00 0.00 C ATOM 247 CD2 LEU A 15 2.741 -3.343 1.481 1.00 0.00 C ATOM 0 H LEU A 15 5.491 -3.502 4.210 1.00 0.00 H new ATOM 0 HA LEU A 15 3.628 -1.571 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.311 -4.265 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.975 -3.353 4.068 1.00 0.00 H new ATOM 0 HG LEU A 15 4.344 -4.351 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.788 -6.053 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.041 -6.223 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.542 -5.487 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.913 -3.833 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.672 -3.182 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.258 -2.383 1.495 1.00 0.00 H new ATOM 259 N LYS A 16 3.760 -2.105 6.627 1.00 0.00 N ATOM 260 CA LYS A 16 3.363 -1.562 7.921 1.00 0.00 C ATOM 261 C LYS A 16 3.790 -0.104 8.054 1.00 0.00 C ATOM 262 O LYS A 16 3.033 0.730 8.549 1.00 0.00 O ATOM 263 CB LYS A 16 3.977 -2.389 9.053 1.00 0.00 C ATOM 264 CG LYS A 16 3.162 -3.617 9.421 1.00 0.00 C ATOM 265 CD LYS A 16 3.694 -4.284 10.678 1.00 0.00 C ATOM 266 CE LYS A 16 2.644 -5.177 11.322 1.00 0.00 C ATOM 267 NZ LYS A 16 3.058 -5.629 12.679 1.00 0.00 N ATOM 0 H LYS A 16 4.402 -2.896 6.681 1.00 0.00 H new ATOM 0 HA LYS A 16 2.276 -1.611 7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.979 -2.703 8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.086 -1.758 9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.121 -3.332 9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.181 -4.328 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.575 -4.876 10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.011 -3.522 11.390 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.700 -4.636 11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.468 -6.046 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.316 -6.235 13.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.945 -6.167 12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.202 -4.801 13.292 1.00 0.00 H new ATOM 281 N GLN A 17 5.006 0.195 7.607 1.00 0.00 N ATOM 282 CA GLN A 17 5.531 1.554 7.675 1.00 0.00 C ATOM 283 C GLN A 17 4.654 2.517 6.883 1.00 0.00 C ATOM 284 O GLN A 17 4.356 3.620 7.342 1.00 0.00 O ATOM 285 CB GLN A 17 6.965 1.596 7.144 1.00 0.00 C ATOM 286 CG GLN A 17 7.726 2.849 7.544 1.00 0.00 C ATOM 287 CD GLN A 17 8.365 2.732 8.913 1.00 0.00 C ATOM 288 OE1 GLN A 17 7.744 2.251 9.862 1.00 0.00 O ATOM 289 NE2 GLN A 17 9.613 3.171 9.024 1.00 0.00 N ATOM 0 H GLN A 17 5.645 -0.485 7.195 1.00 0.00 H new ATOM 0 HA GLN A 17 5.529 1.866 8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.504 0.722 7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.943 1.526 6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.499 3.052 6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.046 3.701 7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.090 3.562 8.212 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.095 3.117 9.921 1.00 0.00 H new ATOM 298 N GLU A 18 4.244 2.094 5.691 1.00 0.00 N ATOM 299 CA GLU A 18 3.402 2.921 4.835 1.00 0.00 C ATOM 300 C GLU A 18 2.054 3.193 5.497 1.00 0.00 C ATOM 301 O GLU A 18 1.568 4.324 5.498 1.00 0.00 O ATOM 302 CB GLU A 18 3.190 2.242 3.481 1.00 0.00 C ATOM 303 CG GLU A 18 4.454 2.146 2.643 1.00 0.00 C ATOM 304 CD GLU A 18 5.150 3.484 2.484 1.00 0.00 C ATOM 305 OE1 GLU A 18 4.456 4.483 2.203 1.00 0.00 O ATOM 306 OE2 GLU A 18 6.388 3.531 2.638 1.00 0.00 O ATOM 0 H GLU A 18 4.481 1.184 5.297 1.00 0.00 H new ATOM 0 HA GLU A 18 3.910 3.873 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.796 1.239 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.435 2.794 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.140 1.436 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.204 1.751 1.658 1.00 0.00 H new ATOM 313 N CYS A 19 1.457 2.148 6.059 1.00 0.00 N ATOM 314 CA CYS A 19 0.164 2.273 6.723 1.00 0.00 C ATOM 315 C CYS A 19 0.273 3.152 7.965 1.00 0.00 C ATOM 316 O CYS A 19 -0.644 3.909 8.285 1.00 0.00 O ATOM 317 CB CYS A 19 -0.371 0.892 7.107 1.00 0.00 C ATOM 318 SG CYS A 19 -0.724 -0.181 5.695 1.00 0.00 S ATOM 0 H CYS A 19 1.847 1.206 6.068 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.530 2.743 6.027 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.356 0.399 7.752 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.282 1.017 7.692 1.00 0.00 H new ATOM 0 HG CYS A 19 0.391 -0.644 5.212 1.00 0.00 H new ATOM 324 N LEU A 20 1.400 3.046 8.661 1.00 0.00 N ATOM 325 CA LEU A 20 1.629 3.830 9.870 1.00 0.00 C ATOM 326 C LEU A 20 1.640 5.323 9.556 1.00 0.00 C ATOM 327 O LEU A 20 1.023 6.120 10.262 1.00 0.00 O ATOM 328 CB LEU A 20 2.952 3.425 10.521 1.00 0.00 C ATOM 329 CG LEU A 20 3.033 3.595 12.039 1.00 0.00 C ATOM 330 CD1 LEU A 20 4.172 2.763 12.609 1.00 0.00 C ATOM 331 CD2 LEU A 20 3.208 5.062 12.402 1.00 0.00 C ATOM 0 H LEU A 20 2.169 2.425 8.409 1.00 0.00 H new ATOM 0 HA LEU A 20 0.813 3.629 10.564 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.147 2.380 10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.752 4.010 10.067 1.00 0.00 H new ATOM 0 HG LEU A 20 2.099 3.242 12.476 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.214 2.896 13.690 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.004 1.711 12.380 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.115 3.085 12.166 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.264 5.165 13.486 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.127 5.441 11.954 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.359 5.633 12.027 1.00 0.00 H new ATOM 343 N ALA A 21 2.344 5.693 8.491 1.00 0.00 N ATOM 344 CA ALA A 21 2.431 7.089 8.082 1.00 0.00 C ATOM 345 C ALA A 21 1.083 7.602 7.586 1.00 0.00 C ATOM 346 O ALA A 21 0.711 8.746 7.844 1.00 0.00 O ATOM 347 CB ALA A 21 3.491 7.257 7.003 1.00 0.00 C ATOM 0 H ALA A 21 2.862 5.046 7.897 1.00 0.00 H new ATOM 0 HA ALA A 21 2.716 7.680 8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.546 8.304 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.459 6.939 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.229 6.648 6.138 1.00 0.00 H new ATOM 353 N ARG A 22 0.357 6.747 6.873 1.00 0.00 N ATOM 354 CA ARG A 22 -0.950 7.115 6.340 1.00 0.00 C ATOM 355 C ARG A 22 -1.986 7.207 7.456 1.00 0.00 C ATOM 356 O ARG A 22 -2.924 7.999 7.382 1.00 0.00 O ATOM 357 CB ARG A 22 -1.402 6.095 5.293 1.00 0.00 C ATOM 358 CG ARG A 22 -0.582 6.132 4.013 1.00 0.00 C ATOM 359 CD ARG A 22 -1.364 5.574 2.835 1.00 0.00 C ATOM 360 NE ARG A 22 -0.485 5.109 1.765 1.00 0.00 N ATOM 361 CZ ARG A 22 0.024 5.907 0.833 1.00 0.00 C ATOM 362 NH1 ARG A 22 -0.258 7.202 0.838 1.00 0.00 N ATOM 363 NH2 ARG A 22 0.817 5.409 -0.108 1.00 0.00 N ATOM 0 H ARG A 22 0.651 5.796 6.651 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.860 8.094 5.869 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.344 5.095 5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.449 6.277 5.049 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.284 7.159 3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.333 5.556 4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.990 4.749 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.032 6.343 2.447 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.249 4.117 1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.867 7.588 1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.134 7.812 0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.036 4.413 -0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.207 6.023 -0.823 1.00 0.00 H new ATOM 377 N GLY A 23 -1.809 6.390 8.490 1.00 0.00 N ATOM 378 CA GLY A 23 -2.737 6.395 9.607 1.00 0.00 C ATOM 379 C GLY A 23 -3.757 5.278 9.517 1.00 0.00 C ATOM 380 O GLY A 23 -4.871 5.402 10.028 1.00 0.00 O ATOM 0 H GLY A 23 -1.040 5.725 8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.180 6.300 10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.254 7.354 9.641 1.00 0.00 H new ATOM 384 N LEU A 24 -3.379 4.184 8.865 1.00 0.00 N ATOM 385 CA LEU A 24 -4.271 3.040 8.708 1.00 0.00 C ATOM 386 C LEU A 24 -3.893 1.920 9.672 1.00 0.00 C ATOM 387 O LEU A 24 -2.844 1.968 10.313 1.00 0.00 O ATOM 388 CB LEU A 24 -4.225 2.526 7.268 1.00 0.00 C ATOM 389 CG LEU A 24 -4.663 3.516 6.188 1.00 0.00 C ATOM 390 CD1 LEU A 24 -4.173 3.065 4.821 1.00 0.00 C ATOM 391 CD2 LEU A 24 -6.177 3.672 6.190 1.00 0.00 C ATOM 0 H LEU A 24 -2.461 4.065 8.437 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.285 3.366 8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.206 2.208 7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.857 1.641 7.199 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.218 4.486 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.494 3.781 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.085 3.006 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.589 2.084 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.471 4.380 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.643 2.706 5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.503 4.042 7.162 1.00 0.00 H new ATOM 403 N GLU A 25 -4.756 0.913 9.768 1.00 0.00 N ATOM 404 CA GLU A 25 -4.511 -0.220 10.653 1.00 0.00 C ATOM 405 C GLU A 25 -3.210 -0.927 10.285 1.00 0.00 C ATOM 406 O GLU A 25 -2.757 -0.864 9.141 1.00 0.00 O ATOM 407 CB GLU A 25 -5.677 -1.208 10.587 1.00 0.00 C ATOM 408 CG GLU A 25 -5.509 -2.279 9.522 1.00 0.00 C ATOM 409 CD GLU A 25 -6.776 -3.080 9.295 1.00 0.00 C ATOM 410 OE1 GLU A 25 -7.311 -3.637 10.276 1.00 0.00 O ATOM 411 OE2 GLU A 25 -7.232 -3.150 8.134 1.00 0.00 O ATOM 0 H GLU A 25 -5.630 0.859 9.245 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.422 0.160 11.671 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.790 -1.689 11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.598 -0.658 10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.207 -1.810 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.705 -2.954 9.814 1.00 0.00 H new ATOM 418 N THR A 26 -2.611 -1.600 11.263 1.00 0.00 N ATOM 419 CA THR A 26 -1.362 -2.317 11.044 1.00 0.00 C ATOM 420 C THR A 26 -1.470 -3.764 11.511 1.00 0.00 C ATOM 421 O THR A 26 -0.462 -4.415 11.790 1.00 0.00 O ATOM 422 CB THR A 26 -0.189 -1.639 11.776 1.00 0.00 C ATOM 423 OG1 THR A 26 -0.453 -1.590 13.183 1.00 0.00 O ATOM 424 CG2 THR A 26 0.038 -0.231 11.248 1.00 0.00 C ATOM 0 H THR A 26 -2.972 -1.663 12.215 1.00 0.00 H new ATOM 0 HA THR A 26 -1.170 -2.298 9.971 1.00 0.00 H new ATOM 0 HB THR A 26 0.711 -2.226 11.595 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.298 -1.159 13.642 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.871 0.227 11.780 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.267 -0.274 10.183 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.862 0.365 11.401 1.00 0.00 H new ATOM 432 N LYS A 27 -2.698 -4.265 11.593 1.00 0.00 N ATOM 433 CA LYS A 27 -2.938 -5.637 12.025 1.00 0.00 C ATOM 434 C LYS A 27 -3.436 -6.492 10.864 1.00 0.00 C ATOM 435 O LYS A 27 -3.667 -5.991 9.765 1.00 0.00 O ATOM 436 CB LYS A 27 -3.957 -5.663 13.166 1.00 0.00 C ATOM 437 CG LYS A 27 -3.555 -4.816 14.361 1.00 0.00 C ATOM 438 CD LYS A 27 -4.744 -4.515 15.257 1.00 0.00 C ATOM 439 CE LYS A 27 -4.993 -5.642 16.249 1.00 0.00 C ATOM 440 NZ LYS A 27 -5.739 -5.170 17.448 1.00 0.00 N ATOM 0 H LYS A 27 -3.543 -3.741 11.366 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.994 -6.051 12.380 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.919 -5.313 12.791 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.098 -6.693 13.493 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.788 -5.336 14.935 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.114 -3.881 14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.568 -3.585 15.798 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.633 -4.364 14.645 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.556 -6.438 15.761 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.040 -6.070 16.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.889 -5.967 18.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.191 -4.428 17.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.659 -4.785 17.155 1.00 0.00 H new ATOM 454 N GLY A 28 -3.601 -7.787 11.118 1.00 0.00 N ATOM 455 CA GLY A 28 -4.072 -8.691 10.085 1.00 0.00 C ATOM 456 C GLY A 28 -2.935 -9.356 9.334 1.00 0.00 C ATOM 457 O GLY A 28 -1.966 -9.814 9.940 1.00 0.00 O ATOM 0 H GLY A 28 -3.417 -8.226 12.020 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.702 -9.457 10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.695 -8.140 9.381 1.00 0.00 H new ATOM 461 N ILE A 29 -3.055 -9.412 8.012 1.00 0.00 N ATOM 462 CA ILE A 29 -2.029 -10.026 7.178 1.00 0.00 C ATOM 463 C ILE A 29 -1.572 -9.075 6.078 1.00 0.00 C ATOM 464 O ILE A 29 -2.036 -7.937 5.992 1.00 0.00 O ATOM 465 CB ILE A 29 -2.534 -11.332 6.535 1.00 0.00 C ATOM 466 CG1 ILE A 29 -3.641 -11.032 5.522 1.00 0.00 C ATOM 467 CG2 ILE A 29 -3.033 -12.291 7.605 1.00 0.00 C ATOM 468 CD1 ILE A 29 -4.259 -12.273 4.917 1.00 0.00 C ATOM 0 H ILE A 29 -3.852 -9.040 7.496 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.186 -10.253 7.831 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.705 -11.805 6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.421 -10.449 6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.233 -10.413 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.386 -13.209 7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.220 -12.525 8.292 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.851 -11.827 8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.036 -11.984 4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.490 -12.847 4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.697 -12.883 5.707 1.00 0.00 H new ATOM 480 N LYS A 30 -0.660 -9.548 5.235 1.00 0.00 N ATOM 481 CA LYS A 30 -0.141 -8.741 4.137 1.00 0.00 C ATOM 482 C LYS A 30 -1.277 -8.193 3.280 1.00 0.00 C ATOM 483 O LYS A 30 -1.333 -6.995 3.001 1.00 0.00 O ATOM 484 CB LYS A 30 0.809 -9.572 3.271 1.00 0.00 C ATOM 485 CG LYS A 30 1.623 -8.743 2.292 1.00 0.00 C ATOM 486 CD LYS A 30 2.665 -9.588 1.579 1.00 0.00 C ATOM 487 CE LYS A 30 3.480 -8.756 0.599 1.00 0.00 C ATOM 488 NZ LYS A 30 4.491 -9.580 -0.120 1.00 0.00 N ATOM 0 H LYS A 30 -0.265 -10.487 5.291 1.00 0.00 H new ATOM 0 HA LYS A 30 0.407 -7.901 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.489 -10.124 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.229 -10.309 2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.958 -8.288 1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.115 -7.929 2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.330 -10.043 2.313 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.173 -10.402 1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.812 -8.288 -0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.982 -7.951 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.758 -9.106 -1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.334 -9.696 0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.088 -10.514 -0.335 1.00 0.00 H new ATOM 502 N GLN A 31 -2.181 -9.076 2.868 1.00 0.00 N ATOM 503 CA GLN A 31 -3.316 -8.678 2.044 1.00 0.00 C ATOM 504 C GLN A 31 -4.088 -7.536 2.696 1.00 0.00 C ATOM 505 O GLN A 31 -4.544 -6.615 2.017 1.00 0.00 O ATOM 506 CB GLN A 31 -4.246 -9.870 1.811 1.00 0.00 C ATOM 507 CG GLN A 31 -3.660 -10.928 0.889 1.00 0.00 C ATOM 508 CD GLN A 31 -4.446 -12.224 0.915 1.00 0.00 C ATOM 509 OE1 GLN A 31 -4.158 -13.123 1.705 1.00 0.00 O ATOM 510 NE2 GLN A 31 -5.447 -12.327 0.047 1.00 0.00 N ATOM 0 H GLN A 31 -2.149 -10.071 3.091 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.933 -8.332 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.484 -10.328 2.771 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.184 -9.511 1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.635 -10.543 -0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.629 -11.127 1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.651 -11.557 -0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.011 -13.176 0.018 1.00 0.00 H new ATOM 519 N ASP A 32 -4.232 -7.602 4.015 1.00 0.00 N ATOM 520 CA ASP A 32 -4.948 -6.572 4.759 1.00 0.00 C ATOM 521 C ASP A 32 -4.251 -5.222 4.626 1.00 0.00 C ATOM 522 O ASP A 32 -4.899 -4.194 4.425 1.00 0.00 O ATOM 523 CB ASP A 32 -5.057 -6.961 6.234 1.00 0.00 C ATOM 524 CG ASP A 32 -6.131 -8.003 6.480 1.00 0.00 C ATOM 525 OD1 ASP A 32 -6.268 -8.923 5.646 1.00 0.00 O ATOM 526 OD2 ASP A 32 -6.834 -7.899 7.507 1.00 0.00 O ATOM 0 H ASP A 32 -3.862 -8.358 4.591 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.950 -6.486 4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.097 -7.345 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.275 -6.072 6.826 1.00 0.00 H new ATOM 531 N LEU A 33 -2.928 -5.231 4.741 1.00 0.00 N ATOM 532 CA LEU A 33 -2.142 -4.007 4.636 1.00 0.00 C ATOM 533 C LEU A 33 -2.233 -3.421 3.230 1.00 0.00 C ATOM 534 O LEU A 33 -2.480 -2.227 3.060 1.00 0.00 O ATOM 535 CB LEU A 33 -0.680 -4.283 4.992 1.00 0.00 C ATOM 536 CG LEU A 33 -0.402 -4.648 6.451 1.00 0.00 C ATOM 537 CD1 LEU A 33 0.936 -5.359 6.577 1.00 0.00 C ATOM 538 CD2 LEU A 33 -0.432 -3.403 7.326 1.00 0.00 C ATOM 0 H LEU A 33 -2.377 -6.073 4.907 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.550 -3.281 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.320 -5.095 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.093 -3.400 4.741 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.184 -5.327 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.117 -5.611 7.622 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.921 -6.271 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.731 -4.705 6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.232 -3.681 8.361 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.329 -2.701 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.414 -2.935 7.259 1.00 0.00 H new ATOM 550 N ILE A 34 -2.034 -4.270 2.227 1.00 0.00 N ATOM 551 CA ILE A 34 -2.097 -3.836 0.837 1.00 0.00 C ATOM 552 C ILE A 34 -3.495 -3.346 0.477 1.00 0.00 C ATOM 553 O ILE A 34 -3.661 -2.250 -0.060 1.00 0.00 O ATOM 554 CB ILE A 34 -1.699 -4.972 -0.125 1.00 0.00 C ATOM 555 CG1 ILE A 34 -0.234 -5.359 0.085 1.00 0.00 C ATOM 556 CG2 ILE A 34 -1.940 -4.553 -1.567 1.00 0.00 C ATOM 557 CD1 ILE A 34 0.111 -6.731 -0.449 1.00 0.00 C ATOM 0 H ILE A 34 -1.828 -5.261 2.351 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.389 -3.015 0.730 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.319 -5.843 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.402 -4.619 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.007 -5.325 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.654 -5.366 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.996 -4.323 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.343 -3.670 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.165 -6.938 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.499 -7.481 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.084 -6.764 -1.521 1.00 0.00 H new ATOM 569 N HIS A 35 -4.499 -4.164 0.777 1.00 0.00 N ATOM 570 CA HIS A 35 -5.884 -3.812 0.487 1.00 0.00 C ATOM 571 C HIS A 35 -6.240 -2.458 1.094 1.00 0.00 C ATOM 572 O HIS A 35 -6.986 -1.678 0.502 1.00 0.00 O ATOM 573 CB HIS A 35 -6.829 -4.888 1.023 1.00 0.00 C ATOM 574 CG HIS A 35 -8.117 -4.986 0.266 1.00 0.00 C ATOM 575 ND1 HIS A 35 -9.298 -5.407 0.841 1.00 0.00 N ATOM 576 CD2 HIS A 35 -8.407 -4.712 -1.027 1.00 0.00 C ATOM 577 CE1 HIS A 35 -10.257 -5.390 -0.067 1.00 0.00 C ATOM 578 NE2 HIS A 35 -9.743 -4.971 -1.209 1.00 0.00 N ATOM 0 H HIS A 35 -4.379 -5.075 1.221 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.997 -3.746 -0.595 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.323 -5.853 0.990 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.048 -4.679 2.070 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.716 -4.356 -1.777 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.287 -5.671 0.097 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.255 -4.858 -2.084 1.00 0.00 H new ATOM 586 N ARG A 36 -5.701 -2.186 2.278 1.00 0.00 N ATOM 587 CA ARG A 36 -5.963 -0.928 2.966 1.00 0.00 C ATOM 588 C ARG A 36 -5.229 0.225 2.288 1.00 0.00 C ATOM 589 O ARG A 36 -5.750 1.337 2.194 1.00 0.00 O ATOM 590 CB ARG A 36 -5.538 -1.025 4.432 1.00 0.00 C ATOM 591 CG ARG A 36 -6.361 -0.151 5.364 1.00 0.00 C ATOM 592 CD ARG A 36 -6.347 -0.686 6.787 1.00 0.00 C ATOM 593 NE ARG A 36 -7.577 -0.364 7.505 1.00 0.00 N ATOM 594 CZ ARG A 36 -8.737 -0.974 7.288 1.00 0.00 C ATOM 595 NH1 ARG A 36 -8.823 -1.935 6.378 1.00 0.00 N ATOM 596 NH2 ARG A 36 -9.812 -0.625 7.982 1.00 0.00 N ATOM 0 H ARG A 36 -5.080 -2.820 2.781 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.034 -0.733 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.617 -2.063 4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.488 -0.744 4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.968 0.866 5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.388 -0.100 5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.212 -1.767 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.495 -0.268 7.323 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.544 0.370 8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.998 -2.207 5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.714 -2.402 6.213 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.749 0.113 8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.702 -1.094 7.814 1.00 0.00 H new ATOM 610 N LEU A 37 -4.016 -0.047 1.818 1.00 0.00 N ATOM 611 CA LEU A 37 -3.209 0.967 1.149 1.00 0.00 C ATOM 612 C LEU A 37 -3.859 1.404 -0.160 1.00 0.00 C ATOM 613 O LEU A 37 -3.843 2.584 -0.508 1.00 0.00 O ATOM 614 CB LEU A 37 -1.802 0.432 0.879 1.00 0.00 C ATOM 615 CG LEU A 37 -0.929 0.189 2.110 1.00 0.00 C ATOM 616 CD1 LEU A 37 0.087 -0.910 1.836 1.00 0.00 C ATOM 617 CD2 LEU A 37 -0.228 1.473 2.529 1.00 0.00 C ATOM 0 H LEU A 37 -3.570 -0.962 1.888 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.141 1.833 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.891 -0.506 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.286 1.136 0.226 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.572 -0.134 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.699 -1.069 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.435 -1.834 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.725 -0.616 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.389 1.281 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.402 1.826 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.972 2.233 2.768 1.00 0.00 H new ATOM 629 N GLN A 38 -4.432 0.444 -0.879 1.00 0.00 N ATOM 630 CA GLN A 38 -5.089 0.731 -2.149 1.00 0.00 C ATOM 631 C GLN A 38 -6.405 1.469 -1.927 1.00 0.00 C ATOM 632 O GLN A 38 -6.706 2.442 -2.617 1.00 0.00 O ATOM 633 CB GLN A 38 -5.342 -0.565 -2.921 1.00 0.00 C ATOM 634 CG GLN A 38 -4.167 -0.998 -3.784 1.00 0.00 C ATOM 635 CD GLN A 38 -4.267 -2.446 -4.222 1.00 0.00 C ATOM 636 OE1 GLN A 38 -5.329 -2.908 -4.640 1.00 0.00 O ATOM 637 NE2 GLN A 38 -3.159 -3.171 -4.128 1.00 0.00 N ATOM 0 H GLN A 38 -4.455 -0.538 -0.604 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.429 1.371 -2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.575 -1.360 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.219 -0.435 -3.555 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.113 -0.359 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.240 -0.854 -3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.301 -2.747 -3.776 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.166 -4.152 -4.408 1.00 0.00 H new ATOM 646 N ALA A 39 -7.185 0.999 -0.959 1.00 0.00 N ATOM 647 CA ALA A 39 -8.468 1.616 -0.645 1.00 0.00 C ATOM 648 C ALA A 39 -8.293 3.079 -0.254 1.00 0.00 C ATOM 649 O ALA A 39 -9.102 3.931 -0.621 1.00 0.00 O ATOM 650 CB ALA A 39 -9.162 0.849 0.471 1.00 0.00 C ATOM 0 H ALA A 39 -6.951 0.193 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.090 1.579 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.119 1.320 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.330 -0.181 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.535 0.857 1.363 1.00 0.00 H new ATOM 656 N TYR A 40 -7.232 3.364 0.493 1.00 0.00 N ATOM 657 CA TYR A 40 -6.952 4.725 0.936 1.00 0.00 C ATOM 658 C TYR A 40 -6.461 5.586 -0.224 1.00 0.00 C ATOM 659 O TYR A 40 -6.822 6.758 -0.339 1.00 0.00 O ATOM 660 CB TYR A 40 -5.910 4.715 2.055 1.00 0.00 C ATOM 661 CG TYR A 40 -5.540 6.095 2.550 1.00 0.00 C ATOM 662 CD1 TYR A 40 -6.354 6.774 3.449 1.00 0.00 C ATOM 663 CD2 TYR A 40 -4.377 6.721 2.119 1.00 0.00 C ATOM 664 CE1 TYR A 40 -6.021 8.035 3.903 1.00 0.00 C ATOM 665 CE2 TYR A 40 -4.035 7.982 2.569 1.00 0.00 C ATOM 666 CZ TYR A 40 -4.860 8.635 3.461 1.00 0.00 C ATOM 667 OH TYR A 40 -4.524 9.891 3.911 1.00 0.00 O ATOM 0 H TYR A 40 -6.552 2.671 0.804 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.879 5.154 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.292 4.129 2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.011 4.213 1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.263 6.307 3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.729 6.213 1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.666 8.549 4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.127 8.454 2.224 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.096 10.558 3.476 1.00 0.00 H new ATOM 677 N LEU A 41 -5.637 4.996 -1.082 1.00 0.00 N ATOM 678 CA LEU A 41 -5.096 5.707 -2.236 1.00 0.00 C ATOM 679 C LEU A 41 -6.212 6.143 -3.180 1.00 0.00 C ATOM 680 O LEU A 41 -6.217 7.271 -3.671 1.00 0.00 O ATOM 681 CB LEU A 41 -4.097 4.822 -2.983 1.00 0.00 C ATOM 682 CG LEU A 41 -2.701 4.718 -2.368 1.00 0.00 C ATOM 683 CD1 LEU A 41 -1.871 3.675 -3.100 1.00 0.00 C ATOM 684 CD2 LEU A 41 -2.004 6.071 -2.395 1.00 0.00 C ATOM 0 H LEU A 41 -5.328 4.027 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.583 6.598 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.515 3.818 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.997 5.201 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.806 4.406 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.881 3.615 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.362 2.704 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.775 3.957 -4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.012 5.978 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.912 6.412 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.589 6.793 -1.825 1.00 0.00 H new ATOM 696 N GLU A 42 -7.157 5.241 -3.426 1.00 0.00 N ATOM 697 CA GLU A 42 -8.279 5.534 -4.311 1.00 0.00 C ATOM 698 C GLU A 42 -9.225 6.547 -3.672 1.00 0.00 C ATOM 699 O GLU A 42 -9.765 7.420 -4.351 1.00 0.00 O ATOM 700 CB GLU A 42 -9.041 4.250 -4.647 1.00 0.00 C ATOM 701 CG GLU A 42 -9.688 3.593 -3.439 1.00 0.00 C ATOM 702 CD GLU A 42 -10.699 2.530 -3.826 1.00 0.00 C ATOM 703 OE1 GLU A 42 -10.276 1.443 -4.270 1.00 0.00 O ATOM 704 OE2 GLU A 42 -11.913 2.787 -3.684 1.00 0.00 O ATOM 0 H GLU A 42 -7.168 4.303 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.881 5.963 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.812 4.477 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.355 3.542 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.914 3.144 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.181 4.355 -2.835 1.00 0.00 H new ATOM 711 N GLU A 43 -9.420 6.423 -2.363 1.00 0.00 N ATOM 712 CA GLU A 43 -10.301 7.327 -1.633 1.00 0.00 C ATOM 713 C GLU A 43 -9.726 8.740 -1.603 1.00 0.00 C ATOM 714 O GLU A 43 -10.413 9.709 -1.928 1.00 0.00 O ATOM 715 CB GLU A 43 -10.518 6.821 -0.205 1.00 0.00 C ATOM 716 CG GLU A 43 -11.250 7.810 0.686 1.00 0.00 C ATOM 717 CD GLU A 43 -12.756 7.642 0.629 1.00 0.00 C ATOM 718 OE1 GLU A 43 -13.280 6.746 1.323 1.00 0.00 O ATOM 719 OE2 GLU A 43 -13.410 8.408 -0.110 1.00 0.00 O ATOM 0 H GLU A 43 -8.980 5.706 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.260 7.355 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.083 5.890 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.550 6.590 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.913 7.685 1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.990 8.825 0.386 1.00 0.00 H new ATOM 726 N HIS A 44 -8.462 8.850 -1.208 1.00 0.00 N ATOM 727 CA HIS A 44 -7.794 10.144 -1.134 1.00 0.00 C ATOM 728 C HIS A 44 -7.121 10.485 -2.461 1.00 0.00 C ATOM 729 O HIS A 44 -5.998 10.986 -2.487 1.00 0.00 O ATOM 730 CB HIS A 44 -6.758 10.144 -0.009 1.00 0.00 C ATOM 731 CG HIS A 44 -7.356 9.995 1.355 1.00 0.00 C ATOM 732 ND1 HIS A 44 -7.044 10.828 2.409 1.00 0.00 N ATOM 733 CD2 HIS A 44 -8.254 9.104 1.836 1.00 0.00 C ATOM 734 CE1 HIS A 44 -7.722 10.454 3.479 1.00 0.00 C ATOM 735 NE2 HIS A 44 -8.465 9.410 3.158 1.00 0.00 N ATOM 0 H HIS A 44 -7.880 8.059 -0.934 1.00 0.00 H new ATOM 0 HA HIS A 44 -8.548 10.902 -0.923 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.051 9.332 -0.177 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -6.191 11.074 -0.049 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.719 8.301 1.283 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.677 10.922 4.451 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.093 8.912 3.789 1.00 0.00 H new ATOM 743 N ALA A 45 -7.816 10.208 -3.559 1.00 0.00 N ATOM 744 CA ALA A 45 -7.287 10.486 -4.889 1.00 0.00 C ATOM 745 C ALA A 45 -7.655 11.895 -5.342 1.00 0.00 C ATOM 746 O ALA A 45 -8.750 12.380 -5.061 1.00 0.00 O ATOM 747 CB ALA A 45 -7.798 9.458 -5.886 1.00 0.00 C ATOM 0 H ALA A 45 -8.747 9.791 -3.554 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.200 10.420 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.395 9.678 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.479 8.462 -5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.887 9.496 -5.922 1.00 0.00 H new ATOM 753 N GLU A 46 -6.734 12.545 -6.046 1.00 0.00 N ATOM 754 CA GLU A 46 -6.963 13.899 -6.537 1.00 0.00 C ATOM 755 C GLU A 46 -7.702 13.876 -7.872 1.00 0.00 C ATOM 756 O GLU A 46 -7.376 14.631 -8.787 1.00 0.00 O ATOM 757 CB GLU A 46 -5.634 14.642 -6.690 1.00 0.00 C ATOM 758 CG GLU A 46 -4.693 14.005 -7.699 1.00 0.00 C ATOM 759 CD GLU A 46 -3.789 12.959 -7.076 1.00 0.00 C ATOM 760 OE1 GLU A 46 -2.743 13.340 -6.511 1.00 0.00 O ATOM 761 OE2 GLU A 46 -4.129 11.760 -7.152 1.00 0.00 O ATOM 0 H GLU A 46 -5.823 12.156 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.581 14.422 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.835 15.670 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.138 14.686 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.278 13.546 -8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.081 14.781 -8.159 1.00 0.00 H new ATOM 768 N SER A 47 -8.699 13.002 -7.974 1.00 0.00 N ATOM 769 CA SER A 47 -9.482 12.877 -9.198 1.00 0.00 C ATOM 770 C SER A 47 -10.973 13.012 -8.905 1.00 0.00 C ATOM 771 O SER A 47 -11.552 12.199 -8.186 1.00 0.00 O ATOM 772 CB SER A 47 -9.203 11.532 -9.871 1.00 0.00 C ATOM 773 OG SER A 47 -9.442 11.600 -11.266 1.00 0.00 O ATOM 0 H SER A 47 -8.983 12.371 -7.225 1.00 0.00 H new ATOM 0 HA SER A 47 -9.188 13.681 -9.872 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.169 11.239 -9.690 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.835 10.762 -9.428 1.00 0.00 H new ATOM 0 HG SER A 47 -9.255 10.728 -11.673 1.00 0.00 H new ATOM 779 N GLY A 48 -11.589 14.047 -9.468 1.00 0.00 N ATOM 780 CA GLY A 48 -13.007 14.272 -9.256 1.00 0.00 C ATOM 781 C GLY A 48 -13.370 15.743 -9.275 1.00 0.00 C ATOM 782 O GLY A 48 -12.579 16.605 -8.892 1.00 0.00 O ATOM 0 H GLY A 48 -11.131 14.734 -10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.574 13.751 -10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.301 13.841 -8.299 1.00 0.00 H new ATOM 786 N PRO A 49 -14.594 16.049 -9.732 1.00 0.00 N ATOM 787 CA PRO A 49 -15.088 17.427 -9.812 1.00 0.00 C ATOM 788 C PRO A 49 -15.344 18.031 -8.435 1.00 0.00 C ATOM 789 O PRO A 49 -15.311 17.331 -7.424 1.00 0.00 O ATOM 790 CB PRO A 49 -16.400 17.289 -10.588 1.00 0.00 C ATOM 791 CG PRO A 49 -16.845 15.890 -10.334 1.00 0.00 C ATOM 792 CD PRO A 49 -15.589 15.073 -10.206 1.00 0.00 C ATOM 0 HA PRO A 49 -14.366 18.093 -10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -17.142 18.009 -10.243 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.251 17.470 -11.653 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -17.444 15.830 -9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -17.467 15.524 -11.151 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -15.714 14.252 -9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -15.297 14.632 -11.159 1.00 0.00 H new ATOM 800 N SER A 50 -15.600 19.335 -8.405 1.00 0.00 N ATOM 801 CA SER A 50 -15.858 20.034 -7.152 1.00 0.00 C ATOM 802 C SER A 50 -17.049 20.978 -7.292 1.00 0.00 C ATOM 803 O SER A 50 -17.570 21.179 -8.389 1.00 0.00 O ATOM 804 CB SER A 50 -14.619 20.819 -6.716 1.00 0.00 C ATOM 805 OG SER A 50 -13.622 19.954 -6.201 1.00 0.00 O ATOM 0 H SER A 50 -15.634 19.928 -9.234 1.00 0.00 H new ATOM 0 HA SER A 50 -16.094 19.290 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.220 21.375 -7.564 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.897 21.551 -5.958 1.00 0.00 H new ATOM 0 HG SER A 50 -12.840 20.480 -5.931 1.00 0.00 H new ATOM 811 N SER A 51 -17.473 21.555 -6.173 1.00 0.00 N ATOM 812 CA SER A 51 -18.605 22.475 -6.169 1.00 0.00 C ATOM 813 C SER A 51 -18.201 23.835 -6.731 1.00 0.00 C ATOM 814 O SER A 51 -17.026 24.198 -6.724 1.00 0.00 O ATOM 815 CB SER A 51 -19.151 22.639 -4.749 1.00 0.00 C ATOM 816 OG SER A 51 -20.526 22.981 -4.768 1.00 0.00 O ATOM 0 H SER A 51 -17.050 21.402 -5.257 1.00 0.00 H new ATOM 0 HA SER A 51 -19.385 22.056 -6.804 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.011 21.712 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.588 23.412 -4.226 1.00 0.00 H new ATOM 0 HG SER A 51 -20.852 23.078 -3.849 1.00 0.00 H new ATOM 822 N GLY A 52 -19.187 24.583 -7.218 1.00 0.00 N ATOM 823 CA GLY A 52 -18.915 25.894 -7.777 1.00 0.00 C ATOM 824 C GLY A 52 -20.105 26.464 -8.524 1.00 0.00 C ATOM 825 O GLY A 52 -21.234 26.413 -8.036 1.00 0.00 O ATOM 0 H GLY A 52 -20.168 24.304 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.633 26.576 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.063 25.827 -8.454 1.00 0.00 H new TER 829 GLY A 52