USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 866 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: B 22 THR OG1 : rot 180:sc= -0.524 USER MOD Set 1.2: B 25 ASN : amide:sc= -2.73! K(o=-3.3!,f=-1) USER MOD Set 2.1: A 22 THR OG1 : rot 169:sc= -0.773 USER MOD Set 2.2: A 25 ASN : amide:sc= -3.02! K(o=-3.8!,f=-1.4) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -112:sc= -1.27 (180deg=-1.69) USER MOD Single : A 2 GLN : amide:sc= -3.61! K(o=-3.6!,f=-0.91) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0441 (180deg=-0.3) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0281 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= -0.0413 (180deg=-0.286) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.049 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0.472 (180deg=0.373) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= -1.02 (180deg=-1.26) USER MOD Single : A 31 GLN : amide:sc= -5.88! C(o=-5.9!,f=-5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -12.9! C(o=-13!,f=-6!) USER MOD Single : A 41 GLN : amide:sc= -5.78! C(o=-5.8!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.022 (180deg=-0.203) USER MOD Single : A 49 GLN : amide:sc= -0.734 K(o=-0.73,f=-2!) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -177:sc= -1.72 (180deg=-1.73) USER MOD Single : B 2 GLN : amide:sc= -2.09! K(o=-2.1!,f=-0.16) USER MOD Single : B 6 LYS NZ :NH3+ -166:sc= -0.0255 (180deg=-0.278) USER MOD Single : B 7 THR OG1 : rot 176:sc= -0.427 USER MOD Single : B 9 THR OG1 : rot 180:sc= -0.043 USER MOD Single : B -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 168:sc= -0.0245 (180deg=-0.264) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ -173:sc= 0.537 (180deg=0.378) USER MOD Single : B 29 LYS NZ :NH3+ 152:sc= -1.43! (180deg=-2.62!) USER MOD Single : B 31 GLN : amide:sc= -5.73! C(o=-5.7!,f=-5.1!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN : amide:sc= -11.2! C(o=-11!,f=-7.9!) USER MOD Single : B 41 GLN : amide:sc= -4.73! C(o=-4.7!,f=-8.2!) USER MOD Single : B 48 LYS NZ :NH3+ -166:sc= -0.065 (180deg=-0.31) USER MOD Single : B 49 GLN : amide:sc= -0.212 K(o=-0.21,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 3.061 -6.298 -17.513 1.00 0.00 N ATOM 2 CA GLY A -1 3.657 -7.117 -16.421 1.00 0.00 C ATOM 3 C GLY A -1 2.930 -6.944 -15.103 1.00 0.00 C ATOM 4 O GLY A -1 1.701 -6.922 -15.061 1.00 0.00 O ATOM 0 H1 GLY A -1 3.594 -6.452 -18.393 1.00 0.00 H new ATOM 0 H2 GLY A -1 2.070 -6.578 -17.655 1.00 0.00 H new ATOM 0 H3 GLY A -1 3.103 -5.292 -17.254 1.00 0.00 H new ATOM 0 HA2 GLY A -1 3.637 -8.168 -16.708 1.00 0.00 H new ATOM 0 HA3 GLY A -1 4.704 -6.841 -16.294 1.00 0.00 H new ATOM 10 N SER A 0 3.698 -6.817 -14.026 1.00 0.00 N ATOM 11 CA SER A 0 3.133 -6.641 -12.694 1.00 0.00 C ATOM 12 C SER A 0 2.445 -5.279 -12.575 1.00 0.00 C ATOM 13 O SER A 0 1.575 -4.945 -13.377 1.00 0.00 O ATOM 14 CB SER A 0 4.229 -6.785 -11.637 1.00 0.00 C ATOM 15 OG SER A 0 4.834 -8.065 -11.697 1.00 0.00 O ATOM 0 H SER A 0 4.718 -6.833 -14.051 1.00 0.00 H new ATOM 0 HA SER A 0 2.383 -7.414 -12.528 1.00 0.00 H new ATOM 0 HB2 SER A 0 4.986 -6.015 -11.787 1.00 0.00 H new ATOM 0 HB3 SER A 0 3.805 -6.627 -10.646 1.00 0.00 H new ATOM 0 HG SER A 0 5.532 -8.129 -11.012 1.00 0.00 H new ATOM 21 N MET A 1 2.839 -4.495 -11.573 1.00 0.00 N ATOM 22 CA MET A 1 2.255 -3.175 -11.365 1.00 0.00 C ATOM 23 C MET A 1 3.184 -2.291 -10.541 1.00 0.00 C ATOM 24 O MET A 1 3.475 -2.584 -9.381 1.00 0.00 O ATOM 25 CB MET A 1 0.898 -3.296 -10.670 1.00 0.00 C ATOM 26 CG MET A 1 0.937 -4.129 -9.400 1.00 0.00 C ATOM 27 SD MET A 1 -0.620 -4.100 -8.493 1.00 0.00 S ATOM 28 CE MET A 1 -0.672 -2.384 -7.979 1.00 0.00 C ATOM 0 H MET A 1 3.557 -4.751 -10.896 1.00 0.00 H new ATOM 0 HA MET A 1 2.114 -2.712 -12.342 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.533 -2.298 -10.429 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.182 -3.739 -11.363 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.184 -5.160 -9.655 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.734 -3.761 -8.755 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.556 -2.325 -6.897 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.137 -1.835 -8.461 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.628 -1.947 -8.266 1.00 0.00 H new ATOM 38 N GLN A 2 3.644 -1.206 -11.154 1.00 0.00 N ATOM 39 CA GLN A 2 4.541 -0.269 -10.491 1.00 0.00 C ATOM 40 C GLN A 2 3.877 0.363 -9.272 1.00 0.00 C ATOM 41 O GLN A 2 2.754 0.863 -9.349 1.00 0.00 O ATOM 42 CB GLN A 2 4.979 0.816 -11.475 1.00 0.00 C ATOM 43 CG GLN A 2 3.824 1.635 -12.033 1.00 0.00 C ATOM 44 CD GLN A 2 4.251 2.606 -13.121 1.00 0.00 C ATOM 45 OE1 GLN A 2 3.444 3.393 -13.613 1.00 0.00 O ATOM 46 NE2 GLN A 2 5.521 2.551 -13.511 1.00 0.00 N ATOM 0 H GLN A 2 3.409 -0.954 -12.114 1.00 0.00 H new ATOM 0 HA GLN A 2 5.417 -0.820 -10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.680 1.485 -10.976 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.516 0.350 -12.301 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.068 0.960 -12.434 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.356 2.192 -11.221 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.159 1.884 -13.078 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.857 3.176 -14.244 1.00 0.00 H new ATOM 55 N ILE A 3 4.583 0.335 -8.149 1.00 0.00 N ATOM 56 CA ILE A 3 4.083 0.901 -6.904 1.00 0.00 C ATOM 57 C ILE A 3 4.750 2.240 -6.611 1.00 0.00 C ATOM 58 O ILE A 3 5.953 2.403 -6.821 1.00 0.00 O ATOM 59 CB ILE A 3 4.326 -0.052 -5.715 1.00 0.00 C ATOM 60 CG1 ILE A 3 5.821 -0.323 -5.538 1.00 0.00 C ATOM 61 CG2 ILE A 3 3.561 -1.352 -5.911 1.00 0.00 C ATOM 62 CD1 ILE A 3 6.143 -1.200 -4.346 1.00 0.00 C ATOM 0 H ILE A 3 5.513 -0.078 -8.076 1.00 0.00 H new ATOM 0 HA ILE A 3 3.010 1.047 -7.027 1.00 0.00 H new ATOM 0 HB ILE A 3 3.959 0.428 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.205 -0.797 -6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.343 0.628 -5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.743 -2.013 -5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.494 -1.139 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.896 -1.837 -6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.221 -1.349 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.790 -0.718 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.650 -2.165 -4.461 1.00 0.00 H new ATOM 74 N PHE A 4 3.969 3.192 -6.115 1.00 0.00 N ATOM 75 CA PHE A 4 4.496 4.511 -5.784 1.00 0.00 C ATOM 76 C PHE A 4 5.013 4.513 -4.349 1.00 0.00 C ATOM 77 O PHE A 4 4.289 4.155 -3.421 1.00 0.00 O ATOM 78 CB PHE A 4 3.417 5.584 -5.964 1.00 0.00 C ATOM 79 CG PHE A 4 2.970 5.777 -7.391 1.00 0.00 C ATOM 80 CD1 PHE A 4 2.524 4.704 -8.150 1.00 0.00 C ATOM 81 CD2 PHE A 4 2.996 7.035 -7.972 1.00 0.00 C ATOM 82 CE1 PHE A 4 2.111 4.885 -9.457 1.00 0.00 C ATOM 83 CE2 PHE A 4 2.584 7.221 -9.278 1.00 0.00 C ATOM 84 CZ PHE A 4 2.143 6.145 -10.022 1.00 0.00 C ATOM 0 H PHE A 4 2.972 3.077 -5.933 1.00 0.00 H new ATOM 0 HA PHE A 4 5.320 4.741 -6.460 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.552 5.319 -5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.796 6.532 -5.582 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.499 3.716 -7.715 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.343 7.881 -7.397 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.764 4.042 -10.036 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.607 8.208 -9.716 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.824 6.288 -11.044 1.00 0.00 H new ATOM 94 N VAL A 5 6.277 4.893 -4.176 1.00 0.00 N ATOM 95 CA VAL A 5 6.893 4.910 -2.853 1.00 0.00 C ATOM 96 C VAL A 5 7.818 6.109 -2.685 1.00 0.00 C ATOM 97 O VAL A 5 8.508 6.513 -3.620 1.00 0.00 O ATOM 98 CB VAL A 5 7.714 3.628 -2.602 1.00 0.00 C ATOM 99 CG1 VAL A 5 8.233 3.593 -1.172 1.00 0.00 C ATOM 100 CG2 VAL A 5 6.889 2.389 -2.906 1.00 0.00 C ATOM 0 H VAL A 5 6.892 5.192 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 5 6.077 4.973 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 5 8.571 3.637 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.809 2.681 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.870 4.459 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.392 3.614 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.489 1.498 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.008 2.372 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.577 2.407 -3.950 1.00 0.00 H new ATOM 110 N LYS A 6 7.835 6.661 -1.479 1.00 0.00 N ATOM 111 CA LYS A 6 8.686 7.804 -1.169 1.00 0.00 C ATOM 112 C LYS A 6 9.790 7.394 -0.202 1.00 0.00 C ATOM 113 O LYS A 6 9.525 6.803 0.844 1.00 0.00 O ATOM 114 CB LYS A 6 7.865 8.946 -0.565 1.00 0.00 C ATOM 115 CG LYS A 6 6.790 9.488 -1.491 1.00 0.00 C ATOM 116 CD LYS A 6 6.024 10.630 -0.846 1.00 0.00 C ATOM 117 CE LYS A 6 4.957 11.180 -1.777 1.00 0.00 C ATOM 118 NZ LYS A 6 5.540 11.698 -3.046 1.00 0.00 N ATOM 0 H LYS A 6 7.268 6.335 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 6 9.136 8.153 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.396 8.596 0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.538 9.758 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.247 9.833 -2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.098 8.688 -1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.559 10.283 0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.717 11.426 -0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.234 10.397 -2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.414 11.980 -1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.830 12.271 -3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.371 12.285 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.826 10.900 -3.648 1.00 0.00 H new ATOM 132 N THR A 7 11.029 7.712 -0.560 1.00 0.00 N ATOM 133 CA THR A 7 12.176 7.377 0.274 1.00 0.00 C ATOM 134 C THR A 7 12.110 8.106 1.614 1.00 0.00 C ATOM 135 O THR A 7 11.033 8.497 2.064 1.00 0.00 O ATOM 136 CB THR A 7 13.497 7.726 -0.438 1.00 0.00 C ATOM 137 OG1 THR A 7 13.553 9.132 -0.704 1.00 0.00 O ATOM 138 CG2 THR A 7 13.628 6.953 -1.743 1.00 0.00 C ATOM 0 H THR A 7 11.264 8.202 -1.423 1.00 0.00 H new ATOM 0 HA THR A 7 12.145 6.302 0.454 1.00 0.00 H new ATOM 0 HB THR A 7 14.323 7.447 0.217 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.396 9.346 -1.155 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.568 7.215 -2.228 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.613 5.883 -1.535 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.797 7.206 -2.401 1.00 0.00 H new ATOM 146 N LEU A 8 13.262 8.285 2.257 1.00 0.00 N ATOM 147 CA LEU A 8 13.309 8.963 3.547 1.00 0.00 C ATOM 148 C LEU A 8 12.797 10.393 3.427 1.00 0.00 C ATOM 149 O LEU A 8 11.895 10.805 4.157 1.00 0.00 O ATOM 150 CB LEU A 8 14.736 8.970 4.101 1.00 0.00 C ATOM 151 CG LEU A 8 15.408 7.597 4.198 1.00 0.00 C ATOM 152 CD1 LEU A 8 16.735 7.705 4.926 1.00 0.00 C ATOM 153 CD2 LEU A 8 14.507 6.602 4.903 1.00 0.00 C ATOM 0 H LEU A 8 14.168 7.972 1.908 1.00 0.00 H new ATOM 0 HA LEU A 8 12.664 8.416 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.350 9.613 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.720 9.419 5.094 1.00 0.00 H new ATOM 0 HG LEU A 8 15.590 7.239 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.198 6.720 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.393 8.384 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.568 8.089 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.007 5.635 4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.290 6.958 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.575 6.497 4.347 1.00 0.00 H new ATOM 165 N THR A 9 13.375 11.146 2.499 1.00 0.00 N ATOM 166 CA THR A 9 12.975 12.529 2.279 1.00 0.00 C ATOM 167 C THR A 9 11.616 12.599 1.589 1.00 0.00 C ATOM 168 O THR A 9 10.749 13.380 1.982 1.00 0.00 O ATOM 169 CB THR A 9 14.016 13.286 1.434 1.00 0.00 C ATOM 170 OG1 THR A 9 14.158 12.660 0.153 1.00 0.00 O ATOM 171 CG2 THR A 9 15.364 13.313 2.140 1.00 0.00 C ATOM 0 H THR A 9 14.123 10.821 1.886 1.00 0.00 H new ATOM 0 HA THR A 9 12.906 13.004 3.258 1.00 0.00 H new ATOM 0 HB THR A 9 13.669 14.311 1.301 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.821 13.149 -0.378 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.085 13.852 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.261 13.813 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.713 12.292 2.297 1.00 0.00 H new ATOM 179 N GLY A 10 11.439 11.771 0.564 1.00 0.00 N ATOM 180 CA GLY A 10 10.182 11.745 -0.161 1.00 0.00 C ATOM 181 C GLY A 10 10.375 11.545 -1.651 1.00 0.00 C ATOM 182 O GLY A 10 9.629 12.098 -2.459 1.00 0.00 O ATOM 0 H GLY A 10 12.144 11.118 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.556 10.944 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.648 12.680 0.011 1.00 0.00 H new ATOM 186 N LYS A 11 11.377 10.752 -2.015 1.00 0.00 N ATOM 187 CA LYS A 11 11.663 10.480 -3.420 1.00 0.00 C ATOM 188 C LYS A 11 10.729 9.407 -3.966 1.00 0.00 C ATOM 189 O LYS A 11 10.633 8.313 -3.409 1.00 0.00 O ATOM 190 CB LYS A 11 13.117 10.038 -3.590 1.00 0.00 C ATOM 191 CG LYS A 11 13.491 9.710 -5.026 1.00 0.00 C ATOM 192 CD LYS A 11 14.910 9.177 -5.124 1.00 0.00 C ATOM 193 CE LYS A 11 15.294 8.869 -6.562 1.00 0.00 C ATOM 194 NZ LYS A 11 15.217 10.077 -7.430 1.00 0.00 N ATOM 0 H LYS A 11 12.004 10.287 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 11 11.501 11.400 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.773 10.828 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.296 9.161 -2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.796 8.971 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.394 10.604 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.604 9.909 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.003 8.274 -4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.307 8.467 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.634 8.096 -6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.704 9.890 -8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.220 10.307 -7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.673 10.879 -6.950 1.00 0.00 H new ATOM 208 N THR A 12 10.048 9.720 -5.063 1.00 0.00 N ATOM 209 CA THR A 12 9.129 8.773 -5.684 1.00 0.00 C ATOM 210 C THR A 12 9.898 7.660 -6.384 1.00 0.00 C ATOM 211 O THR A 12 10.871 7.919 -7.093 1.00 0.00 O ATOM 212 CB THR A 12 8.207 9.467 -6.703 1.00 0.00 C ATOM 213 OG1 THR A 12 7.457 10.504 -6.060 1.00 0.00 O ATOM 214 CG2 THR A 12 7.252 8.467 -7.339 1.00 0.00 C ATOM 0 H THR A 12 10.115 10.619 -5.539 1.00 0.00 H new ATOM 0 HA THR A 12 8.516 8.350 -4.888 1.00 0.00 H new ATOM 0 HB THR A 12 8.830 9.900 -7.485 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.875 10.941 -6.716 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.611 8.981 -8.055 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.824 7.694 -7.853 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.637 8.009 -6.565 1.00 0.00 H new ATOM 222 N ILE A 13 9.466 6.418 -6.177 1.00 0.00 N ATOM 223 CA ILE A 13 10.133 5.276 -6.793 1.00 0.00 C ATOM 224 C ILE A 13 9.116 4.288 -7.360 1.00 0.00 C ATOM 225 O ILE A 13 8.098 3.996 -6.731 1.00 0.00 O ATOM 226 CB ILE A 13 11.042 4.535 -5.784 1.00 0.00 C ATOM 227 CG1 ILE A 13 10.221 3.559 -4.938 1.00 0.00 C ATOM 228 CG2 ILE A 13 11.762 5.532 -4.887 1.00 0.00 C ATOM 229 CD1 ILE A 13 11.005 2.888 -3.833 1.00 0.00 C ATOM 0 H ILE A 13 8.665 6.179 -5.593 1.00 0.00 H new ATOM 0 HA ILE A 13 10.749 5.671 -7.601 1.00 0.00 H new ATOM 0 HB ILE A 13 11.786 3.968 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.380 4.095 -4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.804 2.792 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.397 4.995 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 13 12.376 6.194 -5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.029 6.122 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.351 2.213 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.830 2.322 -4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.400 3.645 -3.155 1.00 0.00 H new ATOM 241 N THR A 14 9.402 3.772 -8.548 1.00 0.00 N ATOM 242 CA THR A 14 8.523 2.806 -9.191 1.00 0.00 C ATOM 243 C THR A 14 8.990 1.384 -8.913 1.00 0.00 C ATOM 244 O THR A 14 10.189 1.117 -8.845 1.00 0.00 O ATOM 245 CB THR A 14 8.444 3.023 -10.711 1.00 0.00 C ATOM 246 OG1 THR A 14 9.411 3.996 -11.123 1.00 0.00 O ATOM 247 CG2 THR A 14 7.050 3.471 -11.116 1.00 0.00 C ATOM 0 H THR A 14 10.236 4.007 -9.086 1.00 0.00 H new ATOM 0 HA THR A 14 7.529 2.956 -8.769 1.00 0.00 H new ATOM 0 HB THR A 14 8.661 2.076 -11.205 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.353 4.125 -12.093 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.015 3.619 -12.195 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.325 2.708 -10.831 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.808 4.407 -10.613 1.00 0.00 H new ATOM 255 N LEU A 15 8.038 0.473 -8.753 1.00 0.00 N ATOM 256 CA LEU A 15 8.359 -0.920 -8.482 1.00 0.00 C ATOM 257 C LEU A 15 7.155 -1.810 -8.792 1.00 0.00 C ATOM 258 O LEU A 15 6.117 -1.724 -8.142 1.00 0.00 O ATOM 259 CB LEU A 15 8.790 -1.059 -7.014 1.00 0.00 C ATOM 260 CG LEU A 15 9.311 -2.433 -6.584 1.00 0.00 C ATOM 261 CD1 LEU A 15 9.897 -2.357 -5.185 1.00 0.00 C ATOM 262 CD2 LEU A 15 8.204 -3.469 -6.626 1.00 0.00 C ATOM 0 H LEU A 15 7.040 0.675 -8.806 1.00 0.00 H new ATOM 0 HA LEU A 15 9.181 -1.242 -9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.567 -0.321 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.939 -0.803 -6.383 1.00 0.00 H new ATOM 0 HG LEU A 15 10.091 -2.735 -7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.264 -3.340 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.721 -1.644 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.127 -2.033 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.599 -4.436 -6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.402 -3.172 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.814 -3.544 -7.641 1.00 0.00 H new ATOM 274 N GLU A 16 7.306 -2.662 -9.797 1.00 0.00 N ATOM 275 CA GLU A 16 6.238 -3.559 -10.214 1.00 0.00 C ATOM 276 C GLU A 16 6.266 -4.874 -9.435 1.00 0.00 C ATOM 277 O GLU A 16 7.326 -5.468 -9.234 1.00 0.00 O ATOM 278 CB GLU A 16 6.347 -3.823 -11.717 1.00 0.00 C ATOM 279 CG GLU A 16 7.650 -4.497 -12.122 1.00 0.00 C ATOM 280 CD GLU A 16 7.737 -4.758 -13.614 1.00 0.00 C ATOM 281 OE1 GLU A 16 6.777 -4.419 -14.335 1.00 0.00 O ATOM 282 OE2 GLU A 16 8.769 -5.304 -14.061 1.00 0.00 O ATOM 0 H GLU A 16 8.164 -2.750 -10.341 1.00 0.00 H new ATOM 0 HA GLU A 16 5.285 -3.077 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.511 -4.449 -12.029 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.255 -2.878 -12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.488 -3.870 -11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.747 -5.441 -11.586 1.00 0.00 H new ATOM 289 N VAL A 17 5.085 -5.321 -9.010 1.00 0.00 N ATOM 290 CA VAL A 17 4.936 -6.567 -8.257 1.00 0.00 C ATOM 291 C VAL A 17 3.522 -7.114 -8.393 1.00 0.00 C ATOM 292 O VAL A 17 2.574 -6.359 -8.593 1.00 0.00 O ATOM 293 CB VAL A 17 5.248 -6.382 -6.761 1.00 0.00 C ATOM 294 CG1 VAL A 17 6.740 -6.323 -6.518 1.00 0.00 C ATOM 295 CG2 VAL A 17 4.567 -5.141 -6.223 1.00 0.00 C ATOM 0 H VAL A 17 4.206 -4.831 -9.177 1.00 0.00 H new ATOM 0 HA VAL A 17 5.653 -7.270 -8.680 1.00 0.00 H new ATOM 0 HB VAL A 17 4.857 -7.248 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.930 -6.192 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.201 -7.251 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.165 -5.484 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.800 -5.028 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.922 -4.266 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.488 -5.234 -6.349 1.00 0.00 H new ATOM 305 N GLU A 18 3.385 -8.429 -8.285 1.00 0.00 N ATOM 306 CA GLU A 18 2.081 -9.067 -8.399 1.00 0.00 C ATOM 307 C GLU A 18 1.231 -8.799 -7.160 1.00 0.00 C ATOM 308 O GLU A 18 1.724 -8.873 -6.035 1.00 0.00 O ATOM 309 CB GLU A 18 2.243 -10.573 -8.608 1.00 0.00 C ATOM 310 CG GLU A 18 3.016 -10.933 -9.867 1.00 0.00 C ATOM 311 CD GLU A 18 3.182 -12.430 -10.041 1.00 0.00 C ATOM 312 OE1 GLU A 18 2.157 -13.140 -10.082 1.00 0.00 O ATOM 313 OE2 GLU A 18 4.338 -12.891 -10.139 1.00 0.00 O ATOM 0 H GLU A 18 4.159 -9.073 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 18 1.571 -8.641 -9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.754 -10.998 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.256 -11.033 -8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.499 -10.525 -10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.999 -10.464 -9.832 1.00 0.00 H new ATOM 320 N PRO A 19 -0.061 -8.485 -7.350 1.00 0.00 N ATOM 321 CA PRO A 19 -0.981 -8.212 -6.243 1.00 0.00 C ATOM 322 C PRO A 19 -1.008 -9.350 -5.231 1.00 0.00 C ATOM 323 O PRO A 19 -1.193 -9.127 -4.034 1.00 0.00 O ATOM 324 CB PRO A 19 -2.347 -8.069 -6.928 1.00 0.00 C ATOM 325 CG PRO A 19 -2.167 -8.636 -8.293 1.00 0.00 C ATOM 326 CD PRO A 19 -0.737 -8.374 -8.650 1.00 0.00 C ATOM 0 HA PRO A 19 -0.687 -7.328 -5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.120 -8.606 -6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.656 -7.025 -6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.385 -9.704 -8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.842 -8.164 -9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.358 -9.101 -9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.603 -7.388 -9.094 1.00 0.00 H new ATOM 334 N SER A 20 -0.816 -10.571 -5.721 1.00 0.00 N ATOM 335 CA SER A 20 -0.811 -11.748 -4.863 1.00 0.00 C ATOM 336 C SER A 20 0.351 -11.681 -3.881 1.00 0.00 C ATOM 337 O SER A 20 0.257 -12.172 -2.756 1.00 0.00 O ATOM 338 CB SER A 20 -0.714 -13.023 -5.701 1.00 0.00 C ATOM 339 OG SER A 20 -1.841 -13.169 -6.544 1.00 0.00 O ATOM 0 H SER A 20 -0.662 -10.770 -6.709 1.00 0.00 H new ATOM 0 HA SER A 20 -1.746 -11.769 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.193 -12.997 -6.304 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.634 -13.888 -5.043 1.00 0.00 H new ATOM 0 HG SER A 20 -1.752 -13.991 -7.070 1.00 0.00 H new ATOM 345 N ASP A 21 1.445 -11.064 -4.315 1.00 0.00 N ATOM 346 CA ASP A 21 2.625 -10.924 -3.475 1.00 0.00 C ATOM 347 C ASP A 21 2.281 -10.205 -2.173 1.00 0.00 C ATOM 348 O ASP A 21 1.661 -9.141 -2.181 1.00 0.00 O ATOM 349 CB ASP A 21 3.725 -10.174 -4.234 1.00 0.00 C ATOM 350 CG ASP A 21 4.412 -11.049 -5.265 1.00 0.00 C ATOM 351 OD1 ASP A 21 3.708 -11.618 -6.123 1.00 0.00 O ATOM 352 OD2 ASP A 21 5.654 -11.161 -5.215 1.00 0.00 O ATOM 0 H ASP A 21 1.537 -10.653 -5.244 1.00 0.00 H new ATOM 0 HA ASP A 21 2.992 -11.919 -3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.293 -9.304 -4.729 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.465 -9.803 -3.525 1.00 0.00 H new ATOM 357 N THR A 22 2.676 -10.809 -1.055 1.00 0.00 N ATOM 358 CA THR A 22 2.405 -10.253 0.268 1.00 0.00 C ATOM 359 C THR A 22 2.966 -8.847 0.421 1.00 0.00 C ATOM 360 O THR A 22 3.977 -8.498 -0.188 1.00 0.00 O ATOM 361 CB THR A 22 2.999 -11.134 1.381 1.00 0.00 C ATOM 362 OG1 THR A 22 4.418 -11.234 1.223 1.00 0.00 O ATOM 363 CG2 THR A 22 2.385 -12.522 1.363 1.00 0.00 C ATOM 0 H THR A 22 3.189 -11.691 -1.040 1.00 0.00 H new ATOM 0 HA THR A 22 1.320 -10.219 0.363 1.00 0.00 H new ATOM 0 HB THR A 22 2.771 -10.667 2.339 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.809 -11.638 2.026 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.823 -13.124 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.308 -12.446 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.582 -12.995 0.401 1.00 0.00 H new ATOM 371 N ILE A 23 2.309 -8.050 1.261 1.00 0.00 N ATOM 372 CA ILE A 23 2.750 -6.685 1.524 1.00 0.00 C ATOM 373 C ILE A 23 4.183 -6.703 2.039 1.00 0.00 C ATOM 374 O ILE A 23 4.960 -5.779 1.803 1.00 0.00 O ATOM 375 CB ILE A 23 1.847 -5.984 2.560 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.398 -5.944 2.066 1.00 0.00 C ATOM 377 CG2 ILE A 23 2.357 -4.577 2.840 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.564 -5.309 3.050 1.00 0.00 C ATOM 0 H ILE A 23 1.470 -8.327 1.770 1.00 0.00 H new ATOM 0 HA ILE A 23 2.690 -6.129 0.589 1.00 0.00 H new ATOM 0 HB ILE A 23 1.877 -6.553 3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.359 -5.393 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.068 -6.961 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.710 -4.095 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.373 -4.629 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.354 -3.998 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.570 -5.316 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.555 -5.873 3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.259 -4.281 3.245 1.00 0.00 H new ATOM 390 N GLU A 24 4.521 -7.778 2.739 1.00 0.00 N ATOM 391 CA GLU A 24 5.851 -7.956 3.289 1.00 0.00 C ATOM 392 C GLU A 24 6.889 -8.077 2.175 1.00 0.00 C ATOM 393 O GLU A 24 8.009 -7.584 2.302 1.00 0.00 O ATOM 394 CB GLU A 24 5.866 -9.203 4.176 1.00 0.00 C ATOM 395 CG GLU A 24 7.257 -9.709 4.493 1.00 0.00 C ATOM 396 CD GLU A 24 7.250 -10.870 5.468 1.00 0.00 C ATOM 397 OE1 GLU A 24 6.805 -10.676 6.617 1.00 0.00 O ATOM 398 OE2 GLU A 24 7.686 -11.973 5.080 1.00 0.00 O ATOM 0 H GLU A 24 3.881 -8.546 2.939 1.00 0.00 H new ATOM 0 HA GLU A 24 6.109 -7.083 3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.349 -8.980 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.305 -9.996 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.746 -10.019 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.849 -8.894 4.909 1.00 0.00 H new ATOM 405 N ASN A 25 6.507 -8.738 1.084 1.00 0.00 N ATOM 406 CA ASN A 25 7.404 -8.929 -0.052 1.00 0.00 C ATOM 407 C ASN A 25 7.584 -7.636 -0.842 1.00 0.00 C ATOM 408 O ASN A 25 8.706 -7.255 -1.173 1.00 0.00 O ATOM 409 CB ASN A 25 6.872 -10.030 -0.972 1.00 0.00 C ATOM 410 CG ASN A 25 6.822 -11.391 -0.300 1.00 0.00 C ATOM 411 OD1 ASN A 25 6.408 -12.377 -0.908 1.00 0.00 O ATOM 412 ND2 ASN A 25 7.246 -11.456 0.959 1.00 0.00 N ATOM 0 H ASN A 25 5.582 -9.150 0.963 1.00 0.00 H new ATOM 0 HA ASN A 25 8.376 -9.227 0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.871 -9.761 -1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.503 -10.092 -1.859 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.235 -12.347 1.455 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.582 -10.615 1.428 1.00 0.00 H new ATOM 419 N VAL A 26 6.474 -6.968 -1.147 1.00 0.00 N ATOM 420 CA VAL A 26 6.520 -5.725 -1.905 1.00 0.00 C ATOM 421 C VAL A 26 7.385 -4.684 -1.202 1.00 0.00 C ATOM 422 O VAL A 26 8.189 -4.002 -1.839 1.00 0.00 O ATOM 423 CB VAL A 26 5.109 -5.150 -2.142 1.00 0.00 C ATOM 424 CG1 VAL A 26 4.255 -6.137 -2.922 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.439 -4.781 -0.828 1.00 0.00 C ATOM 0 H VAL A 26 5.536 -7.267 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 26 6.964 -5.961 -2.872 1.00 0.00 H new ATOM 0 HB VAL A 26 5.211 -4.239 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.263 -5.714 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.721 -6.339 -3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.168 -7.067 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.446 -4.378 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.352 -5.669 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.038 -4.031 -0.312 1.00 0.00 H new ATOM 435 N LYS A 27 7.222 -4.570 0.112 1.00 0.00 N ATOM 436 CA LYS A 27 7.997 -3.617 0.897 1.00 0.00 C ATOM 437 C LYS A 27 9.447 -4.075 1.022 1.00 0.00 C ATOM 438 O LYS A 27 10.366 -3.257 1.038 1.00 0.00 O ATOM 439 CB LYS A 27 7.377 -3.431 2.284 1.00 0.00 C ATOM 440 CG LYS A 27 5.952 -2.895 2.242 1.00 0.00 C ATOM 441 CD LYS A 27 5.422 -2.578 3.633 1.00 0.00 C ATOM 442 CE LYS A 27 5.380 -3.813 4.518 1.00 0.00 C ATOM 443 NZ LYS A 27 4.824 -3.513 5.866 1.00 0.00 N ATOM 0 H LYS A 27 6.561 -5.125 0.655 1.00 0.00 H new ATOM 0 HA LYS A 27 7.981 -2.658 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.383 -4.387 2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.998 -2.747 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.921 -1.995 1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.302 -3.629 1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.052 -1.820 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.421 -2.155 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.774 -4.582 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.386 -4.219 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.937 -4.344 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.332 -2.705 6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.814 -3.280 5.781 1.00 0.00 H new ATOM 457 N ALA A 28 9.645 -5.388 1.107 1.00 0.00 N ATOM 458 CA ALA A 28 10.985 -5.953 1.227 1.00 0.00 C ATOM 459 C ALA A 28 11.881 -5.488 0.084 1.00 0.00 C ATOM 460 O ALA A 28 13.060 -5.202 0.285 1.00 0.00 O ATOM 461 CB ALA A 28 10.920 -7.472 1.268 1.00 0.00 C ATOM 0 H ALA A 28 8.895 -6.079 1.095 1.00 0.00 H new ATOM 0 HA ALA A 28 11.419 -5.597 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.928 -7.877 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.325 -7.788 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.461 -7.841 0.351 1.00 0.00 H new ATOM 467 N LYS A 29 11.312 -5.405 -1.115 1.00 0.00 N ATOM 468 CA LYS A 29 12.058 -4.961 -2.283 1.00 0.00 C ATOM 469 C LYS A 29 12.455 -3.509 -2.105 1.00 0.00 C ATOM 470 O LYS A 29 13.557 -3.106 -2.467 1.00 0.00 O ATOM 471 CB LYS A 29 11.216 -5.119 -3.548 1.00 0.00 C ATOM 472 CG LYS A 29 10.511 -6.461 -3.642 1.00 0.00 C ATOM 473 CD LYS A 29 9.686 -6.575 -4.914 1.00 0.00 C ATOM 474 CE LYS A 29 10.557 -6.509 -6.160 1.00 0.00 C ATOM 475 NZ LYS A 29 9.752 -6.622 -7.407 1.00 0.00 N ATOM 0 H LYS A 29 10.337 -5.640 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 29 12.953 -5.574 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.472 -4.323 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.857 -4.992 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.249 -7.263 -3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.864 -6.593 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.134 -7.515 -4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.949 -5.772 -4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.108 -5.569 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.295 -7.311 -6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.389 -6.726 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.130 -7.453 -7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.174 -5.766 -7.526 1.00 0.00 H new ATOM 489 N ILE A 30 11.544 -2.733 -1.525 1.00 0.00 N ATOM 490 CA ILE A 30 11.795 -1.326 -1.270 1.00 0.00 C ATOM 491 C ILE A 30 13.079 -1.173 -0.464 1.00 0.00 C ATOM 492 O ILE A 30 13.820 -0.204 -0.630 1.00 0.00 O ATOM 493 CB ILE A 30 10.617 -0.674 -0.520 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.327 -0.813 -1.334 1.00 0.00 C ATOM 495 CG2 ILE A 30 10.913 0.791 -0.229 1.00 0.00 C ATOM 496 CD1 ILE A 30 9.368 -0.103 -2.671 1.00 0.00 C ATOM 0 H ILE A 30 10.626 -3.059 -1.224 1.00 0.00 H new ATOM 0 HA ILE A 30 11.903 -0.818 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 30 10.483 -1.190 0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.126 -1.871 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.495 -0.419 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.070 1.234 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.809 0.866 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.072 1.323 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.420 -0.247 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.537 0.962 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.177 -0.512 -3.276 1.00 0.00 H new ATOM 508 N GLN A 31 13.355 -2.165 0.386 1.00 0.00 N ATOM 509 CA GLN A 31 14.570 -2.169 1.186 1.00 0.00 C ATOM 510 C GLN A 31 15.759 -2.184 0.247 1.00 0.00 C ATOM 511 O GLN A 31 16.659 -1.350 0.334 1.00 0.00 O ATOM 512 CB GLN A 31 14.619 -3.408 2.079 1.00 0.00 C ATOM 513 CG GLN A 31 13.395 -3.586 2.956 1.00 0.00 C ATOM 514 CD GLN A 31 13.421 -4.897 3.714 1.00 0.00 C ATOM 515 OE1 GLN A 31 13.356 -5.974 3.122 1.00 0.00 O ATOM 516 NE2 GLN A 31 13.532 -4.810 5.030 1.00 0.00 N ATOM 0 H GLN A 31 12.750 -2.973 0.534 1.00 0.00 H new ATOM 0 HA GLN A 31 14.590 -1.283 1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.735 -4.291 1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.503 -3.351 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.334 -2.760 3.664 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.498 -3.543 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.583 -3.895 5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.567 -5.658 5.596 1.00 0.00 H new ATOM 525 N ASP A 32 15.725 -3.138 -0.676 1.00 0.00 N ATOM 526 CA ASP A 32 16.770 -3.274 -1.673 1.00 0.00 C ATOM 527 C ASP A 32 16.829 -2.006 -2.515 1.00 0.00 C ATOM 528 O ASP A 32 17.897 -1.570 -2.946 1.00 0.00 O ATOM 529 CB ASP A 32 16.501 -4.490 -2.565 1.00 0.00 C ATOM 530 CG ASP A 32 17.607 -4.732 -3.575 1.00 0.00 C ATOM 531 OD1 ASP A 32 17.879 -3.824 -4.389 1.00 0.00 O ATOM 532 OD2 ASP A 32 18.196 -5.832 -3.557 1.00 0.00 O ATOM 0 H ASP A 32 14.979 -3.830 -0.751 1.00 0.00 H new ATOM 0 HA ASP A 32 17.727 -3.422 -1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.385 -5.375 -1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.558 -4.347 -3.092 1.00 0.00 H new ATOM 537 N LYS A 33 15.655 -1.422 -2.732 1.00 0.00 N ATOM 538 CA LYS A 33 15.519 -0.199 -3.509 1.00 0.00 C ATOM 539 C LYS A 33 16.205 0.979 -2.819 1.00 0.00 C ATOM 540 O LYS A 33 16.716 1.881 -3.484 1.00 0.00 O ATOM 541 CB LYS A 33 14.035 0.110 -3.741 1.00 0.00 C ATOM 542 CG LYS A 33 13.342 -0.874 -4.673 1.00 0.00 C ATOM 543 CD LYS A 33 13.958 -0.865 -6.064 1.00 0.00 C ATOM 544 CE LYS A 33 13.268 -1.856 -6.986 1.00 0.00 C ATOM 545 NZ LYS A 33 13.859 -1.850 -8.353 1.00 0.00 N ATOM 0 H LYS A 33 14.772 -1.785 -2.373 1.00 0.00 H new ATOM 0 HA LYS A 33 16.009 -0.351 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.519 0.112 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.943 1.114 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.406 -1.878 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.283 -0.624 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.888 0.137 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.018 -1.108 -5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.343 -2.858 -6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.207 -1.615 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.360 -2.540 -8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.765 -0.901 -8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.866 -2.105 -8.297 1.00 0.00 H new ATOM 559 N GLU A 34 16.216 0.971 -1.486 1.00 0.00 N ATOM 560 CA GLU A 34 16.846 2.050 -0.729 1.00 0.00 C ATOM 561 C GLU A 34 17.492 1.528 0.555 1.00 0.00 C ATOM 562 O GLU A 34 18.716 1.521 0.679 1.00 0.00 O ATOM 563 CB GLU A 34 15.819 3.135 -0.392 1.00 0.00 C ATOM 564 CG GLU A 34 16.404 4.318 0.366 1.00 0.00 C ATOM 565 CD GLU A 34 17.427 5.092 -0.444 1.00 0.00 C ATOM 566 OE1 GLU A 34 17.606 4.776 -1.639 1.00 0.00 O ATOM 567 OE2 GLU A 34 18.044 6.023 0.115 1.00 0.00 O ATOM 0 H GLU A 34 15.800 0.236 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 34 17.630 2.479 -1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.367 3.495 -1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.019 2.694 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.597 4.990 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.870 3.960 1.284 1.00 0.00 H new ATOM 574 N GLY A 35 16.671 1.092 1.510 1.00 0.00 N ATOM 575 CA GLY A 35 17.207 0.579 2.760 1.00 0.00 C ATOM 576 C GLY A 35 16.383 0.976 3.972 1.00 0.00 C ATOM 577 O GLY A 35 16.882 1.657 4.867 1.00 0.00 O ATOM 0 H GLY A 35 15.653 1.085 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.261 -0.508 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.227 0.943 2.887 1.00 0.00 H new ATOM 581 N ILE A 36 15.123 0.556 4.003 1.00 0.00 N ATOM 582 CA ILE A 36 14.240 0.878 5.112 1.00 0.00 C ATOM 583 C ILE A 36 13.246 -0.246 5.397 1.00 0.00 C ATOM 584 O ILE A 36 12.498 -0.669 4.514 1.00 0.00 O ATOM 585 CB ILE A 36 13.457 2.180 4.851 1.00 0.00 C ATOM 586 CG1 ILE A 36 13.418 2.509 3.353 1.00 0.00 C ATOM 587 CG2 ILE A 36 14.067 3.332 5.630 1.00 0.00 C ATOM 588 CD1 ILE A 36 12.709 1.472 2.510 1.00 0.00 C ATOM 0 H ILE A 36 14.692 -0.009 3.271 1.00 0.00 H new ATOM 0 HA ILE A 36 14.883 1.010 5.982 1.00 0.00 H new ATOM 0 HB ILE A 36 12.432 2.031 5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.925 3.471 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.440 2.620 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.502 4.243 5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.035 3.107 6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.102 3.473 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.726 1.780 1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.214 0.512 2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.676 1.376 2.844 1.00 0.00 H new ATOM 600 N PRO A 37 13.228 -0.739 6.650 1.00 0.00 N ATOM 601 CA PRO A 37 12.327 -1.811 7.084 1.00 0.00 C ATOM 602 C PRO A 37 10.919 -1.682 6.498 1.00 0.00 C ATOM 603 O PRO A 37 10.402 -0.576 6.344 1.00 0.00 O ATOM 604 CB PRO A 37 12.290 -1.605 8.593 1.00 0.00 C ATOM 605 CG PRO A 37 13.658 -1.126 8.927 1.00 0.00 C ATOM 606 CD PRO A 37 14.100 -0.287 7.755 1.00 0.00 C ATOM 0 HA PRO A 37 12.668 -2.795 6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.532 -0.875 8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.053 -2.531 9.116 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.653 -0.541 9.847 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.337 -1.964 9.086 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.974 0.777 7.955 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.153 -0.445 7.524 1.00 0.00 H new ATOM 614 N PRO A 38 10.284 -2.821 6.160 1.00 0.00 N ATOM 615 CA PRO A 38 8.934 -2.838 5.584 1.00 0.00 C ATOM 616 C PRO A 38 7.888 -2.222 6.512 1.00 0.00 C ATOM 617 O PRO A 38 6.967 -1.544 6.059 1.00 0.00 O ATOM 618 CB PRO A 38 8.644 -4.329 5.375 1.00 0.00 C ATOM 619 CG PRO A 38 9.978 -4.990 5.379 1.00 0.00 C ATOM 620 CD PRO A 38 10.833 -4.179 6.309 1.00 0.00 C ATOM 0 HA PRO A 38 8.885 -2.247 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.008 -4.721 6.168 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.122 -4.501 4.433 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.902 -6.023 5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.405 -5.015 4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.760 -4.534 7.337 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.886 -4.222 6.031 1.00 0.00 H new ATOM 628 N ASP A 39 8.033 -2.468 7.811 1.00 0.00 N ATOM 629 CA ASP A 39 7.097 -1.942 8.798 1.00 0.00 C ATOM 630 C ASP A 39 7.054 -0.420 8.753 1.00 0.00 C ATOM 631 O ASP A 39 6.001 0.186 8.955 1.00 0.00 O ATOM 632 CB ASP A 39 7.477 -2.423 10.201 1.00 0.00 C ATOM 633 CG ASP A 39 8.890 -2.037 10.591 1.00 0.00 C ATOM 634 OD1 ASP A 39 9.164 -0.825 10.716 1.00 0.00 O ATOM 635 OD2 ASP A 39 9.726 -2.948 10.770 1.00 0.00 O ATOM 0 H ASP A 39 8.790 -3.028 8.204 1.00 0.00 H new ATOM 0 HA ASP A 39 6.102 -2.316 8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.778 -2.005 10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.375 -3.507 10.249 1.00 0.00 H new ATOM 640 N GLN A 40 8.203 0.192 8.490 1.00 0.00 N ATOM 641 CA GLN A 40 8.295 1.643 8.419 1.00 0.00 C ATOM 642 C GLN A 40 7.421 2.197 7.299 1.00 0.00 C ATOM 643 O GLN A 40 6.737 3.205 7.474 1.00 0.00 O ATOM 644 CB GLN A 40 9.744 2.071 8.202 1.00 0.00 C ATOM 645 CG GLN A 40 10.659 1.751 9.372 1.00 0.00 C ATOM 646 CD GLN A 40 12.127 1.891 9.018 1.00 0.00 C ATOM 647 OE1 GLN A 40 12.999 1.779 9.880 1.00 0.00 O ATOM 648 NE2 GLN A 40 12.410 2.129 7.740 1.00 0.00 N ATOM 0 H GLN A 40 9.083 -0.295 8.323 1.00 0.00 H new ATOM 0 HA GLN A 40 7.937 2.047 9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.128 1.580 7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.772 3.144 8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.425 2.415 10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.466 0.733 9.712 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.656 2.215 7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.381 2.226 7.442 1.00 0.00 H new ATOM 657 N GLN A 41 7.454 1.534 6.145 1.00 0.00 N ATOM 658 CA GLN A 41 6.669 1.965 4.995 1.00 0.00 C ATOM 659 C GLN A 41 5.184 2.013 5.338 1.00 0.00 C ATOM 660 O GLN A 41 4.615 1.032 5.817 1.00 0.00 O ATOM 661 CB GLN A 41 6.911 1.029 3.814 1.00 0.00 C ATOM 662 CG GLN A 41 8.349 1.040 3.324 1.00 0.00 C ATOM 663 CD GLN A 41 8.594 0.048 2.206 1.00 0.00 C ATOM 664 OE1 GLN A 41 7.939 0.095 1.166 1.00 0.00 O ATOM 665 NE2 GLN A 41 9.544 -0.855 2.416 1.00 0.00 N ATOM 0 H GLN A 41 8.015 0.698 5.984 1.00 0.00 H new ATOM 0 HA GLN A 41 6.986 2.971 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.641 0.013 4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.252 1.313 2.993 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.603 2.042 2.977 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.014 0.813 4.157 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.062 -0.856 3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.756 -1.548 1.699 1.00 0.00 H new ATOM 674 N ARG A 42 4.566 3.164 5.096 1.00 0.00 N ATOM 675 CA ARG A 42 3.155 3.346 5.386 1.00 0.00 C ATOM 676 C ARG A 42 2.282 2.914 4.214 1.00 0.00 C ATOM 677 O ARG A 42 2.467 3.371 3.086 1.00 0.00 O ATOM 678 CB ARG A 42 2.870 4.809 5.742 1.00 0.00 C ATOM 679 CG ARG A 42 1.410 5.086 6.063 1.00 0.00 C ATOM 680 CD ARG A 42 1.172 6.539 6.459 1.00 0.00 C ATOM 681 NE ARG A 42 1.824 6.894 7.721 1.00 0.00 N ATOM 682 CZ ARG A 42 3.109 7.222 7.834 1.00 0.00 C ATOM 683 NH1 ARG A 42 3.876 7.314 6.756 1.00 0.00 N ATOM 684 NH2 ARG A 42 3.623 7.485 9.028 1.00 0.00 N ATOM 0 H ARG A 42 5.024 3.984 4.699 1.00 0.00 H new ATOM 0 HA ARG A 42 2.908 2.714 6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.481 5.091 6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.177 5.443 4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.797 4.843 5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.088 4.433 6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.541 7.192 5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.100 6.717 6.546 1.00 0.00 H new ATOM 0 HE ARG A 42 1.257 6.890 8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.482 7.133 5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.860 7.566 6.850 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.034 7.436 9.859 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.608 7.736 9.115 1.00 0.00 H new ATOM 698 N LEU A 43 1.321 2.038 4.494 1.00 0.00 N ATOM 699 CA LEU A 43 0.406 1.554 3.469 1.00 0.00 C ATOM 700 C LEU A 43 -0.632 2.616 3.138 1.00 0.00 C ATOM 701 O LEU A 43 -1.248 3.193 4.035 1.00 0.00 O ATOM 702 CB LEU A 43 -0.288 0.267 3.928 1.00 0.00 C ATOM 703 CG LEU A 43 0.604 -0.978 3.990 1.00 0.00 C ATOM 704 CD1 LEU A 43 1.119 -1.333 2.605 1.00 0.00 C ATOM 705 CD2 LEU A 43 1.761 -0.769 4.955 1.00 0.00 C ATOM 0 H LEU A 43 1.157 1.650 5.423 1.00 0.00 H new ATOM 0 HA LEU A 43 0.985 1.336 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.713 0.437 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.120 0.063 3.254 1.00 0.00 H new ATOM 0 HG LEU A 43 0.003 -1.809 4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.751 -2.219 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.276 -1.534 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.700 -0.501 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.379 -1.666 4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.363 0.077 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.371 -0.568 5.953 1.00 0.00 H new ATOM 717 N ILE A 44 -0.823 2.876 1.849 1.00 0.00 N ATOM 718 CA ILE A 44 -1.785 3.876 1.409 1.00 0.00 C ATOM 719 C ILE A 44 -2.484 3.437 0.127 1.00 0.00 C ATOM 720 O ILE A 44 -1.849 2.925 -0.795 1.00 0.00 O ATOM 721 CB ILE A 44 -1.110 5.244 1.196 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.489 5.726 2.510 1.00 0.00 C ATOM 723 CG2 ILE A 44 -2.115 6.258 0.669 1.00 0.00 C ATOM 724 CD1 ILE A 44 0.244 7.041 2.396 1.00 0.00 C ATOM 0 H ILE A 44 -0.324 2.408 1.092 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.531 3.977 2.197 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.319 5.138 0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.276 5.824 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.203 4.966 2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.621 7.219 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.518 5.910 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.927 6.372 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.655 7.314 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.054 6.944 1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.447 7.815 2.064 1.00 0.00 H new ATOM 736 N PHE A 45 -3.803 3.627 0.085 1.00 0.00 N ATOM 737 CA PHE A 45 -4.601 3.237 -1.074 1.00 0.00 C ATOM 738 C PHE A 45 -5.527 4.373 -1.502 1.00 0.00 C ATOM 739 O PHE A 45 -6.088 5.071 -0.659 1.00 0.00 O ATOM 740 CB PHE A 45 -5.438 1.993 -0.749 1.00 0.00 C ATOM 741 CG PHE A 45 -4.643 0.844 -0.194 1.00 0.00 C ATOM 742 CD1 PHE A 45 -4.140 0.887 1.097 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.403 -0.281 -0.964 1.00 0.00 C ATOM 744 CE1 PHE A 45 -3.412 -0.170 1.608 1.00 0.00 C ATOM 745 CE2 PHE A 45 -3.674 -1.340 -0.459 1.00 0.00 C ATOM 746 CZ PHE A 45 -3.179 -1.285 0.829 1.00 0.00 C ATOM 0 H PHE A 45 -4.340 4.049 0.842 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.918 3.011 -1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.211 2.266 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.947 1.664 -1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.319 1.757 1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.790 -0.331 -1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.026 -0.124 2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.491 -2.211 -1.071 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.611 -2.113 1.226 1.00 0.00 H new ATOM 756 N ALA A 46 -5.689 4.559 -2.812 1.00 0.00 N ATOM 757 CA ALA A 46 -6.558 5.622 -3.317 1.00 0.00 C ATOM 758 C ALA A 46 -7.085 5.312 -4.717 1.00 0.00 C ATOM 759 O ALA A 46 -6.314 5.117 -5.656 1.00 0.00 O ATOM 760 CB ALA A 46 -5.813 6.947 -3.317 1.00 0.00 C ATOM 0 H ALA A 46 -5.237 3.997 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.419 5.689 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.468 7.733 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.503 7.190 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.933 6.870 -3.956 1.00 0.00 H new ATOM 766 N GLY A 47 -8.409 5.282 -4.848 1.00 0.00 N ATOM 767 CA GLY A 47 -9.030 5.005 -6.133 1.00 0.00 C ATOM 768 C GLY A 47 -8.991 6.197 -7.068 1.00 0.00 C ATOM 769 O GLY A 47 -7.960 6.854 -7.199 1.00 0.00 O ATOM 0 H GLY A 47 -9.065 5.445 -4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.523 4.162 -6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.066 4.706 -5.975 1.00 0.00 H new ATOM 773 N LYS A 48 -10.120 6.475 -7.719 1.00 0.00 N ATOM 774 CA LYS A 48 -10.220 7.600 -8.647 1.00 0.00 C ATOM 775 C LYS A 48 -10.140 8.917 -7.911 1.00 0.00 C ATOM 776 O LYS A 48 -11.137 9.623 -7.754 1.00 0.00 O ATOM 777 CB LYS A 48 -11.520 7.526 -9.453 1.00 0.00 C ATOM 778 CG LYS A 48 -11.615 8.574 -10.554 1.00 0.00 C ATOM 779 CD LYS A 48 -10.491 8.418 -11.569 1.00 0.00 C ATOM 780 CE LYS A 48 -10.585 9.455 -12.677 1.00 0.00 C ATOM 781 NZ LYS A 48 -11.855 9.338 -13.444 1.00 0.00 N ATOM 0 H LYS A 48 -10.980 5.935 -7.620 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.378 7.538 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.606 6.535 -9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.365 7.645 -8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.577 8.487 -11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.574 9.570 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.529 8.511 -11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.528 7.418 -12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.512 10.454 -12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.740 9.338 -13.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.782 9.890 -14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.030 8.339 -13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.642 9.703 -12.870 1.00 0.00 H new ATOM 795 N GLN A 49 -8.934 9.258 -7.485 1.00 0.00 N ATOM 796 CA GLN A 49 -8.712 10.506 -6.797 1.00 0.00 C ATOM 797 C GLN A 49 -8.980 11.649 -7.759 1.00 0.00 C ATOM 798 O GLN A 49 -8.122 12.008 -8.560 1.00 0.00 O ATOM 799 CB GLN A 49 -7.284 10.566 -6.261 1.00 0.00 C ATOM 800 CG GLN A 49 -6.214 10.367 -7.322 1.00 0.00 C ATOM 801 CD GLN A 49 -4.813 10.479 -6.757 1.00 0.00 C ATOM 802 OE1 GLN A 49 -4.412 9.691 -5.902 1.00 0.00 O ATOM 803 NE2 GLN A 49 -4.065 11.471 -7.227 1.00 0.00 N ATOM 0 H GLN A 49 -8.099 8.685 -7.606 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.389 10.588 -5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.128 11.532 -5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.164 9.803 -5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.340 9.387 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.345 11.108 -8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.440 12.101 -7.937 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.116 11.603 -6.878 1.00 0.00 H new ATOM 812 N LEU A 50 -10.192 12.184 -7.691 1.00 0.00 N ATOM 813 CA LEU A 50 -10.617 13.269 -8.568 1.00 0.00 C ATOM 814 C LEU A 50 -9.544 14.342 -8.697 1.00 0.00 C ATOM 815 O LEU A 50 -9.609 15.384 -8.043 1.00 0.00 O ATOM 816 CB LEU A 50 -11.908 13.876 -8.035 1.00 0.00 C ATOM 817 CG LEU A 50 -13.023 12.863 -7.773 1.00 0.00 C ATOM 818 CD1 LEU A 50 -14.171 13.517 -7.023 1.00 0.00 C ATOM 819 CD2 LEU A 50 -13.507 12.246 -9.078 1.00 0.00 C ATOM 0 H LEU A 50 -10.906 11.880 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.787 12.857 -9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.690 14.406 -7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.268 14.617 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.622 12.063 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.955 12.781 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.810 13.901 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -14.572 14.339 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.300 11.528 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.890 13.030 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.678 11.737 -9.570 1.00 0.00 H new ATOM 831 N GLU A 51 -8.558 14.071 -9.549 1.00 0.00 N ATOM 832 CA GLU A 51 -7.458 14.999 -9.782 1.00 0.00 C ATOM 833 C GLU A 51 -6.733 15.327 -8.477 1.00 0.00 C ATOM 834 O GLU A 51 -5.789 14.586 -8.127 1.00 0.00 O ATOM 835 CB GLU A 51 -7.979 16.277 -10.442 1.00 0.00 C ATOM 836 CG GLU A 51 -6.906 17.328 -10.683 1.00 0.00 C ATOM 837 CD GLU A 51 -7.445 18.569 -11.369 1.00 0.00 C ATOM 838 OE1 GLU A 51 -8.640 18.576 -11.733 1.00 0.00 O ATOM 839 OE2 GLU A 51 -6.672 19.533 -11.546 1.00 0.00 O ATOM 840 OXT GLU A 51 -7.115 16.316 -7.818 1.00 0.00 O ATOM 0 H GLU A 51 -8.500 13.210 -10.092 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.743 14.523 -10.453 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.442 16.019 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.760 16.706 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.459 17.610 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.112 16.897 -11.292 1.00 0.00 H new TER 847 GLU A 51 ATOM 848 N GLY B -1 -2.614 -6.287 17.418 1.00 0.00 N ATOM 849 CA GLY B -1 -3.252 -7.119 16.361 1.00 0.00 C ATOM 850 C GLY B -1 -2.592 -6.946 15.007 1.00 0.00 C ATOM 851 O GLY B -1 -1.366 -6.925 14.905 1.00 0.00 O ATOM 0 H1 GLY B -1 -3.102 -6.442 18.323 1.00 0.00 H new ATOM 0 H2 GLY B -1 -1.614 -6.555 17.514 1.00 0.00 H new ATOM 0 H3 GLY B -1 -2.680 -5.283 17.156 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -3.206 -8.168 16.652 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -4.307 -6.856 16.283 1.00 0.00 H new ATOM 857 N SER B 0 -3.412 -6.822 13.969 1.00 0.00 N ATOM 858 CA SER B 0 -2.915 -6.650 12.609 1.00 0.00 C ATOM 859 C SER B 0 -2.235 -5.288 12.446 1.00 0.00 C ATOM 860 O SER B 0 -1.318 -4.952 13.194 1.00 0.00 O ATOM 861 CB SER B 0 -4.059 -6.807 11.606 1.00 0.00 C ATOM 862 OG SER B 0 -4.650 -8.091 11.703 1.00 0.00 O ATOM 0 H SER B 0 -4.429 -6.838 14.045 1.00 0.00 H new ATOM 0 HA SER B 0 -2.171 -7.422 12.412 1.00 0.00 H new ATOM 0 HB2 SER B 0 -4.813 -6.041 11.787 1.00 0.00 H new ATOM 0 HB3 SER B 0 -3.684 -6.651 10.594 1.00 0.00 H new ATOM 0 HG SER B 0 -5.379 -8.165 11.053 1.00 0.00 H new ATOM 868 N MET B 1 -2.684 -4.505 11.464 1.00 0.00 N ATOM 869 CA MET B 1 -2.106 -3.187 11.218 1.00 0.00 C ATOM 870 C MET B 1 -3.057 -2.303 10.417 1.00 0.00 C ATOM 871 O MET B 1 -3.377 -2.598 9.266 1.00 0.00 O ATOM 872 CB MET B 1 -0.779 -3.323 10.469 1.00 0.00 C ATOM 873 CG MET B 1 -0.866 -4.191 9.226 1.00 0.00 C ATOM 874 SD MET B 1 0.652 -4.168 8.255 1.00 0.00 S ATOM 875 CE MET B 1 0.701 -2.448 7.753 1.00 0.00 C ATOM 0 H MET B 1 -3.442 -4.760 10.831 1.00 0.00 H new ATOM 0 HA MET B 1 -1.932 -2.716 12.185 1.00 0.00 H new ATOM 0 HB2 MET B 1 -0.429 -2.331 10.185 1.00 0.00 H new ATOM 0 HB3 MET B 1 -0.033 -3.743 11.143 1.00 0.00 H new ATOM 0 HG2 MET B 1 -1.090 -5.217 9.519 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.694 -3.849 8.606 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.557 -2.284 7.099 1.00 0.00 H new ATOM 0 HE2 MET B 1 -0.216 -2.198 7.220 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.792 -1.814 8.635 1.00 0.00 H new ATOM 885 N GLN B 2 -3.498 -1.210 11.034 1.00 0.00 N ATOM 886 CA GLN B 2 -4.405 -0.276 10.381 1.00 0.00 C ATOM 887 C GLN B 2 -3.750 0.345 9.150 1.00 0.00 C ATOM 888 O GLN B 2 -2.634 0.861 9.218 1.00 0.00 O ATOM 889 CB GLN B 2 -4.831 0.822 11.361 1.00 0.00 C ATOM 890 CG GLN B 2 -3.681 1.696 11.841 1.00 0.00 C ATOM 891 CD GLN B 2 -4.094 2.682 12.919 1.00 0.00 C ATOM 892 OE1 GLN B 2 -3.281 3.480 13.387 1.00 0.00 O ATOM 893 NE2 GLN B 2 -5.358 2.634 13.327 1.00 0.00 N ATOM 0 H GLN B 2 -3.240 -0.951 11.986 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.289 -0.827 10.059 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.580 1.453 10.882 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.309 0.360 12.225 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -2.884 1.059 12.225 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.270 2.244 10.993 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -6.002 1.959 12.915 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.684 3.273 14.052 1.00 0.00 H new ATOM 902 N ILE B 3 -4.453 0.291 8.026 1.00 0.00 N ATOM 903 CA ILE B 3 -3.948 0.846 6.779 1.00 0.00 C ATOM 904 C ILE B 3 -4.581 2.199 6.488 1.00 0.00 C ATOM 905 O ILE B 3 -5.785 2.383 6.663 1.00 0.00 O ATOM 906 CB ILE B 3 -4.215 -0.099 5.589 1.00 0.00 C ATOM 907 CG1 ILE B 3 -5.713 -0.390 5.463 1.00 0.00 C ATOM 908 CG2 ILE B 3 -3.426 -1.391 5.749 1.00 0.00 C ATOM 909 CD1 ILE B 3 -6.062 -1.268 4.281 1.00 0.00 C ATOM 0 H ILE B 3 -5.378 -0.133 7.953 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.872 0.967 6.901 1.00 0.00 H new ATOM 0 HB ILE B 3 -3.884 0.392 4.674 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -6.059 -0.872 6.377 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -6.252 0.553 5.376 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -3.626 -2.047 4.901 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.361 -1.164 5.789 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.726 -1.889 6.671 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.139 -1.432 4.255 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -5.747 -0.779 3.359 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -5.551 -2.226 4.376 1.00 0.00 H new ATOM 921 N PHE B 4 -3.768 3.142 6.030 1.00 0.00 N ATOM 922 CA PHE B 4 -4.258 4.471 5.701 1.00 0.00 C ATOM 923 C PHE B 4 -4.719 4.506 4.253 1.00 0.00 C ATOM 924 O PHE B 4 -3.962 4.171 3.346 1.00 0.00 O ATOM 925 CB PHE B 4 -3.168 5.522 5.917 1.00 0.00 C ATOM 926 CG PHE B 4 -2.752 5.691 7.351 1.00 0.00 C ATOM 927 CD1 PHE B 4 -2.332 4.607 8.104 1.00 0.00 C ATOM 928 CD2 PHE B 4 -2.776 6.944 7.941 1.00 0.00 C ATOM 929 CE1 PHE B 4 -1.946 4.768 9.420 1.00 0.00 C ATOM 930 CE2 PHE B 4 -2.389 7.111 9.257 1.00 0.00 C ATOM 931 CZ PHE B 4 -1.973 6.022 9.997 1.00 0.00 C ATOM 0 H PHE B 4 -2.768 3.010 5.879 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.097 4.700 6.359 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.294 5.249 5.326 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.523 6.480 5.538 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -2.306 3.624 7.657 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.100 7.799 7.367 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -1.623 3.914 9.997 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -2.412 8.093 9.706 1.00 0.00 H new ATOM 0 HZ PHE B 4 -1.669 6.151 11.025 1.00 0.00 H new ATOM 941 N VAL B 5 -5.965 4.899 4.039 1.00 0.00 N ATOM 942 CA VAL B 5 -6.517 4.960 2.694 1.00 0.00 C ATOM 943 C VAL B 5 -7.589 6.036 2.581 1.00 0.00 C ATOM 944 O VAL B 5 -8.393 6.231 3.488 1.00 0.00 O ATOM 945 CB VAL B 5 -7.081 3.587 2.260 1.00 0.00 C ATOM 946 CG1 VAL B 5 -7.780 2.901 3.420 1.00 0.00 C ATOM 947 CG2 VAL B 5 -8.026 3.729 1.077 1.00 0.00 C ATOM 0 H VAL B 5 -6.611 5.180 4.776 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.702 5.224 2.020 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.241 2.967 1.947 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -8.169 1.937 3.092 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -7.071 2.748 4.233 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -8.603 3.525 3.769 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.406 2.747 0.795 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.859 4.375 1.353 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.491 4.167 0.234 1.00 0.00 H new ATOM 957 N LYS B 6 -7.578 6.741 1.458 1.00 0.00 N ATOM 958 CA LYS B 6 -8.537 7.808 1.211 1.00 0.00 C ATOM 959 C LYS B 6 -9.661 7.336 0.294 1.00 0.00 C ATOM 960 O LYS B 6 -9.416 6.666 -0.711 1.00 0.00 O ATOM 961 CB LYS B 6 -7.832 9.012 0.593 1.00 0.00 C ATOM 962 CG LYS B 6 -6.717 9.568 1.460 1.00 0.00 C ATOM 963 CD LYS B 6 -6.028 10.743 0.790 1.00 0.00 C ATOM 964 CE LYS B 6 -4.908 11.296 1.655 1.00 0.00 C ATOM 965 NZ LYS B 6 -5.408 11.770 2.978 1.00 0.00 N ATOM 0 H LYS B 6 -6.912 6.592 0.700 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.975 8.097 2.166 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -7.421 8.726 -0.375 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -8.565 9.798 0.408 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -7.124 9.883 2.421 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -5.987 8.784 1.664 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -5.625 10.429 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -6.757 11.528 0.590 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -4.153 10.525 1.808 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -4.421 12.121 1.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -4.676 12.348 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -6.265 12.342 2.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -5.631 10.951 3.579 1.00 0.00 H new ATOM 979 N THR B 7 -10.893 7.692 0.644 1.00 0.00 N ATOM 980 CA THR B 7 -12.057 7.309 -0.147 1.00 0.00 C ATOM 981 C THR B 7 -12.076 8.030 -1.492 1.00 0.00 C ATOM 982 O THR B 7 -11.037 8.469 -1.988 1.00 0.00 O ATOM 983 CB THR B 7 -13.365 7.617 0.607 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.460 9.022 0.872 1.00 0.00 O ATOM 985 CG2 THR B 7 -13.428 6.845 1.917 1.00 0.00 C ATOM 0 H THR B 7 -11.111 8.246 1.472 1.00 0.00 H new ATOM 0 HA THR B 7 -11.984 6.235 -0.320 1.00 0.00 H new ATOM 0 HB THR B 7 -14.201 7.309 -0.021 1.00 0.00 H new ATOM 0 HG1 THR B 7 -14.323 9.218 1.293 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.360 7.078 2.432 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.385 5.775 1.711 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.585 7.128 2.547 1.00 0.00 H new ATOM 993 N LEU B 8 -13.265 8.147 -2.076 1.00 0.00 N ATOM 994 CA LEU B 8 -13.431 8.812 -3.362 1.00 0.00 C ATOM 995 C LEU B 8 -12.956 10.260 -3.298 1.00 0.00 C ATOM 996 O LEU B 8 -12.129 10.687 -4.105 1.00 0.00 O ATOM 997 CB LEU B 8 -14.898 8.754 -3.788 1.00 0.00 C ATOM 998 CG LEU B 8 -15.422 7.344 -4.078 1.00 0.00 C ATOM 999 CD1 LEU B 8 -16.937 7.318 -4.082 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -14.884 6.838 -5.402 1.00 0.00 C ATOM 0 H LEU B 8 -14.131 7.787 -1.675 1.00 0.00 H new ATOM 0 HA LEU B 8 -12.820 8.292 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -15.509 9.200 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -15.028 9.367 -4.680 1.00 0.00 H new ATOM 0 HG LEU B 8 -15.072 6.685 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -17.283 6.306 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -17.309 7.635 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -17.310 7.994 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -15.267 5.835 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -15.203 7.505 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -13.795 6.810 -5.365 1.00 0.00 H new ATOM 1012 N THR B 9 -13.475 11.010 -2.331 1.00 0.00 N ATOM 1013 CA THR B 9 -13.093 12.407 -2.160 1.00 0.00 C ATOM 1014 C THR B 9 -11.713 12.517 -1.520 1.00 0.00 C ATOM 1015 O THR B 9 -10.869 13.293 -1.966 1.00 0.00 O ATOM 1016 CB THR B 9 -14.113 13.168 -1.292 1.00 0.00 C ATOM 1017 OG1 THR B 9 -14.214 12.554 -0.001 1.00 0.00 O ATOM 1018 CG2 THR B 9 -15.480 13.185 -1.957 1.00 0.00 C ATOM 0 H THR B 9 -14.161 10.674 -1.655 1.00 0.00 H new ATOM 0 HA THR B 9 -13.071 12.856 -3.153 1.00 0.00 H new ATOM 0 HB THR B 9 -13.766 14.195 -1.179 1.00 0.00 H new ATOM 0 HG1 THR B 9 -14.863 13.045 0.545 1.00 0.00 H new ATOM 0 HG21 THR B 9 -16.185 13.728 -1.327 1.00 0.00 H new ATOM 0 HG22 THR B 9 -15.407 13.678 -2.927 1.00 0.00 H new ATOM 0 HG23 THR B 9 -15.830 12.162 -2.095 1.00 0.00 H new ATOM 1026 N GLY B 10 -11.493 11.725 -0.474 1.00 0.00 N ATOM 1027 CA GLY B 10 -10.216 11.735 0.214 1.00 0.00 C ATOM 1028 C GLY B 10 -10.363 11.529 1.709 1.00 0.00 C ATOM 1029 O GLY B 10 -9.581 12.063 2.495 1.00 0.00 O ATOM 0 H GLY B 10 -12.179 11.075 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -9.579 10.952 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -9.714 12.685 0.028 1.00 0.00 H new ATOM 1033 N LYS B 11 -11.367 10.750 2.101 1.00 0.00 N ATOM 1034 CA LYS B 11 -11.611 10.474 3.514 1.00 0.00 C ATOM 1035 C LYS B 11 -10.663 9.399 4.032 1.00 0.00 C ATOM 1036 O LYS B 11 -10.570 8.313 3.458 1.00 0.00 O ATOM 1037 CB LYS B 11 -13.062 10.033 3.726 1.00 0.00 C ATOM 1038 CG LYS B 11 -13.395 9.702 5.172 1.00 0.00 C ATOM 1039 CD LYS B 11 -14.822 9.199 5.314 1.00 0.00 C ATOM 1040 CE LYS B 11 -15.160 8.880 6.761 1.00 0.00 C ATOM 1041 NZ LYS B 11 -15.019 10.072 7.642 1.00 0.00 N ATOM 0 H LYS B 11 -12.023 10.300 1.463 1.00 0.00 H new ATOM 0 HA LYS B 11 -11.430 11.392 4.073 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -13.727 10.825 3.381 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -13.261 9.158 3.107 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -12.703 8.945 5.542 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -13.258 10.589 5.790 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -15.513 9.952 4.935 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -14.957 8.307 4.703 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -16.181 8.504 6.820 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -14.506 8.085 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -15.448 9.872 8.568 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -14.011 10.293 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -15.500 10.885 7.206 1.00 0.00 H new ATOM 1055 N THR B 12 -9.970 9.701 5.124 1.00 0.00 N ATOM 1056 CA THR B 12 -9.040 8.752 5.722 1.00 0.00 C ATOM 1057 C THR B 12 -9.795 7.634 6.432 1.00 0.00 C ATOM 1058 O THR B 12 -10.773 7.884 7.137 1.00 0.00 O ATOM 1059 CB THR B 12 -8.096 9.441 6.725 1.00 0.00 C ATOM 1060 OG1 THR B 12 -7.364 10.485 6.070 1.00 0.00 O ATOM 1061 CG2 THR B 12 -7.122 8.439 7.331 1.00 0.00 C ATOM 0 H THR B 12 -10.035 10.594 5.612 1.00 0.00 H new ATOM 0 HA THR B 12 -8.443 8.333 4.912 1.00 0.00 H new ATOM 0 HB THR B 12 -8.701 9.866 7.526 1.00 0.00 H new ATOM 0 HG1 THR B 12 -6.767 10.920 6.714 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.466 8.950 8.036 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.679 7.660 7.852 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.523 7.989 6.539 1.00 0.00 H new ATOM 1069 N ILE B 13 -9.339 6.401 6.242 1.00 0.00 N ATOM 1070 CA ILE B 13 -9.979 5.249 6.869 1.00 0.00 C ATOM 1071 C ILE B 13 -8.956 4.207 7.308 1.00 0.00 C ATOM 1072 O ILE B 13 -8.166 3.716 6.504 1.00 0.00 O ATOM 1073 CB ILE B 13 -10.998 4.582 5.918 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -11.369 3.184 6.416 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -10.449 4.510 4.507 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -12.228 2.409 5.442 1.00 0.00 C ATOM 0 H ILE B 13 -8.532 6.173 5.661 1.00 0.00 H new ATOM 0 HA ILE B 13 -10.501 5.627 7.748 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.899 5.195 5.906 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -10.456 2.622 6.611 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -11.898 3.273 7.365 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -11.183 4.037 3.855 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.239 5.517 4.147 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.530 3.924 4.504 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -12.454 1.427 5.858 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -13.157 2.951 5.265 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -11.693 2.290 4.500 1.00 0.00 H new ATOM 1088 N THR B 14 -8.998 3.864 8.591 1.00 0.00 N ATOM 1089 CA THR B 14 -8.097 2.864 9.146 1.00 0.00 C ATOM 1090 C THR B 14 -8.648 1.463 8.942 1.00 0.00 C ATOM 1091 O THR B 14 -9.862 1.254 8.947 1.00 0.00 O ATOM 1092 CB THR B 14 -7.841 3.086 10.647 1.00 0.00 C ATOM 1093 OG1 THR B 14 -9.039 3.529 11.295 1.00 0.00 O ATOM 1094 CG2 THR B 14 -6.723 4.093 10.864 1.00 0.00 C ATOM 0 H THR B 14 -9.648 4.266 9.266 1.00 0.00 H new ATOM 0 HA THR B 14 -7.152 2.970 8.613 1.00 0.00 H new ATOM 0 HB THR B 14 -7.534 2.136 11.084 1.00 0.00 H new ATOM 0 HG1 THR B 14 -8.864 3.665 12.250 1.00 0.00 H new ATOM 0 HG21 THR B 14 -6.561 4.232 11.933 1.00 0.00 H new ATOM 0 HG22 THR B 14 -5.807 3.724 10.404 1.00 0.00 H new ATOM 0 HG23 THR B 14 -6.998 5.046 10.411 1.00 0.00 H new ATOM 1102 N LEU B 15 -7.751 0.505 8.765 1.00 0.00 N ATOM 1103 CA LEU B 15 -8.145 -0.880 8.562 1.00 0.00 C ATOM 1104 C LEU B 15 -6.983 -1.824 8.857 1.00 0.00 C ATOM 1105 O LEU B 15 -5.981 -1.840 8.144 1.00 0.00 O ATOM 1106 CB LEU B 15 -8.637 -1.060 7.119 1.00 0.00 C ATOM 1107 CG LEU B 15 -8.622 -2.497 6.587 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -9.393 -3.431 7.505 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -9.189 -2.545 5.177 1.00 0.00 C ATOM 0 H LEU B 15 -6.743 0.662 8.758 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.953 -1.126 9.251 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.655 -0.678 7.051 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.021 -0.443 6.465 1.00 0.00 H new ATOM 0 HG LEU B 15 -7.587 -2.836 6.559 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.365 -4.443 7.101 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -8.940 -3.423 8.496 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.428 -3.098 7.577 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.172 -3.572 4.813 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -10.216 -2.180 5.185 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.586 -1.917 4.521 1.00 0.00 H new ATOM 1121 N GLU B 16 -7.131 -2.616 9.913 1.00 0.00 N ATOM 1122 CA GLU B 16 -6.103 -3.568 10.306 1.00 0.00 C ATOM 1123 C GLU B 16 -6.175 -4.825 9.450 1.00 0.00 C ATOM 1124 O GLU B 16 -7.260 -5.306 9.123 1.00 0.00 O ATOM 1125 CB GLU B 16 -6.237 -3.919 11.789 1.00 0.00 C ATOM 1126 CG GLU B 16 -7.569 -4.556 12.152 1.00 0.00 C ATOM 1127 CD GLU B 16 -7.674 -4.884 13.628 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -6.705 -4.614 14.370 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -8.728 -5.412 14.045 1.00 0.00 O ATOM 0 H GLU B 16 -7.956 -2.616 10.513 1.00 0.00 H new ATOM 0 HA GLU B 16 -5.129 -3.104 10.147 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -5.432 -4.600 12.066 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -6.105 -3.013 12.380 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -8.378 -3.880 11.875 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -7.702 -5.468 11.570 1.00 0.00 H new ATOM 1136 N VAL B 17 -5.012 -5.346 9.083 1.00 0.00 N ATOM 1137 CA VAL B 17 -4.935 -6.538 8.252 1.00 0.00 C ATOM 1138 C VAL B 17 -3.505 -7.071 8.204 1.00 0.00 C ATOM 1139 O VAL B 17 -2.554 -6.310 8.031 1.00 0.00 O ATOM 1140 CB VAL B 17 -5.439 -6.237 6.827 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -4.757 -5.000 6.275 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -5.239 -7.425 5.905 1.00 0.00 C ATOM 0 H VAL B 17 -4.106 -4.960 9.349 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.574 -7.302 8.694 1.00 0.00 H new ATOM 0 HB VAL B 17 -6.511 -6.045 6.883 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -5.124 -4.801 5.268 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -4.977 -4.147 6.916 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -3.680 -5.162 6.243 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -5.605 -7.178 4.909 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.178 -7.669 5.851 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.790 -8.282 6.292 1.00 0.00 H new ATOM 1152 N GLU B 18 -3.361 -8.382 8.380 1.00 0.00 N ATOM 1153 CA GLU B 18 -2.048 -9.021 8.381 1.00 0.00 C ATOM 1154 C GLU B 18 -1.282 -8.734 7.092 1.00 0.00 C ATOM 1155 O GLU B 18 -1.853 -8.754 6.002 1.00 0.00 O ATOM 1156 CB GLU B 18 -2.194 -10.532 8.571 1.00 0.00 C ATOM 1157 CG GLU B 18 -2.933 -10.919 9.842 1.00 0.00 C ATOM 1158 CD GLU B 18 -3.036 -12.421 10.022 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -3.572 -13.092 9.116 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -2.581 -12.925 11.070 1.00 0.00 O ATOM 0 H GLU B 18 -4.140 -9.024 8.524 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.480 -8.604 9.212 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -2.722 -10.948 7.713 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -1.203 -10.985 8.585 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.420 -10.488 10.702 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -3.935 -10.490 9.821 1.00 0.00 H new ATOM 1167 N PRO B 19 0.033 -8.473 7.204 1.00 0.00 N ATOM 1168 CA PRO B 19 0.893 -8.191 6.048 1.00 0.00 C ATOM 1169 C PRO B 19 0.944 -9.357 5.070 1.00 0.00 C ATOM 1170 O PRO B 19 1.080 -9.164 3.862 1.00 0.00 O ATOM 1171 CB PRO B 19 2.272 -7.972 6.672 1.00 0.00 C ATOM 1172 CG PRO B 19 2.203 -8.640 7.994 1.00 0.00 C ATOM 1173 CD PRO B 19 0.796 -8.440 8.463 1.00 0.00 C ATOM 0 HA PRO B 19 0.528 -7.341 5.471 1.00 0.00 H new ATOM 0 HB2 PRO B 19 3.059 -8.402 6.052 1.00 0.00 H new ATOM 0 HB3 PRO B 19 2.494 -6.910 6.777 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.444 -9.700 7.912 1.00 0.00 H new ATOM 0 HG3 PRO B 19 2.917 -8.204 8.693 1.00 0.00 H new ATOM 0 HD2 PRO B 19 0.481 -9.226 9.149 1.00 0.00 H new ATOM 0 HD3 PRO B 19 0.674 -7.492 8.987 1.00 0.00 H new ATOM 1181 N SER B 20 0.839 -10.568 5.605 1.00 0.00 N ATOM 1182 CA SER B 20 0.876 -11.771 4.787 1.00 0.00 C ATOM 1183 C SER B 20 -0.310 -11.794 3.834 1.00 0.00 C ATOM 1184 O SER B 20 -0.281 -12.465 2.802 1.00 0.00 O ATOM 1185 CB SER B 20 0.861 -13.017 5.673 1.00 0.00 C ATOM 1186 OG SER B 20 0.974 -14.198 4.900 1.00 0.00 O ATOM 0 H SER B 20 0.727 -10.741 6.604 1.00 0.00 H new ATOM 0 HA SER B 20 1.797 -11.767 4.204 1.00 0.00 H new ATOM 0 HB2 SER B 20 1.682 -12.968 6.388 1.00 0.00 H new ATOM 0 HB3 SER B 20 -0.063 -13.044 6.250 1.00 0.00 H new ATOM 0 HG SER B 20 0.963 -14.979 5.492 1.00 0.00 H new ATOM 1192 N ASP B 21 -1.349 -11.047 4.186 1.00 0.00 N ATOM 1193 CA ASP B 21 -2.545 -10.971 3.359 1.00 0.00 C ATOM 1194 C ASP B 21 -2.239 -10.291 2.028 1.00 0.00 C ATOM 1195 O ASP B 21 -1.592 -9.245 1.987 1.00 0.00 O ATOM 1196 CB ASP B 21 -3.660 -10.222 4.092 1.00 0.00 C ATOM 1197 CG ASP B 21 -4.189 -10.993 5.285 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -4.545 -12.177 5.117 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -4.259 -10.408 6.385 1.00 0.00 O ATOM 0 H ASP B 21 -1.387 -10.486 5.037 1.00 0.00 H new ATOM 0 HA ASP B 21 -2.883 -11.988 3.158 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -3.285 -9.254 4.426 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -4.478 -10.025 3.399 1.00 0.00 H new ATOM 1204 N THR B 22 -2.706 -10.899 0.942 1.00 0.00 N ATOM 1205 CA THR B 22 -2.481 -10.363 -0.395 1.00 0.00 C ATOM 1206 C THR B 22 -3.053 -8.961 -0.540 1.00 0.00 C ATOM 1207 O THR B 22 -4.066 -8.625 0.075 1.00 0.00 O ATOM 1208 CB THR B 22 -3.114 -11.258 -1.477 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.525 -11.365 -1.263 1.00 0.00 O ATOM 1210 CG2 THR B 22 -2.489 -12.642 -1.469 1.00 0.00 C ATOM 0 H THR B 22 -3.244 -11.765 0.963 1.00 0.00 H new ATOM 0 HA THR B 22 -1.400 -10.332 -0.532 1.00 0.00 H new ATOM 0 HB THR B 22 -2.929 -10.799 -2.448 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.919 -11.935 -1.957 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.953 -13.255 -2.242 1.00 0.00 H new ATOM 0 HG22 THR B 22 -1.420 -12.560 -1.664 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.645 -13.106 -0.495 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.406 -8.153 -1.374 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.860 -6.791 -1.622 1.00 0.00 C ATOM 1220 C ILE B 23 -4.310 -6.810 -2.088 1.00 0.00 C ATOM 1221 O ILE B 23 -5.079 -5.885 -1.830 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.992 -6.088 -2.686 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.529 -6.047 -2.235 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -2.512 -4.682 -2.950 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.401 -5.399 -3.241 1.00 0.00 C ATOM 0 H ILE B 23 -1.566 -8.418 -1.889 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.772 -6.235 -0.689 1.00 0.00 H new ATOM 0 HB ILE B 23 -2.050 -6.655 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.464 -5.505 -1.292 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -0.189 -7.064 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.889 -4.199 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.540 -4.736 -3.309 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.480 -4.103 -2.027 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.419 -5.406 -2.852 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.366 -5.954 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.087 -4.370 -3.417 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.672 -7.887 -2.772 1.00 0.00 N ATOM 1238 CA GLU B 24 -6.020 -8.064 -3.275 1.00 0.00 C ATOM 1239 C GLU B 24 -7.023 -8.151 -2.127 1.00 0.00 C ATOM 1240 O GLU B 24 -8.139 -7.642 -2.224 1.00 0.00 O ATOM 1241 CB GLU B 24 -6.085 -9.331 -4.130 1.00 0.00 C ATOM 1242 CG GLU B 24 -7.486 -9.683 -4.583 1.00 0.00 C ATOM 1243 CD GLU B 24 -7.529 -10.923 -5.456 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -6.464 -11.542 -5.663 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -8.628 -11.277 -5.930 1.00 0.00 O ATOM 0 H GLU B 24 -4.040 -8.657 -2.991 1.00 0.00 H new ATOM 0 HA GLU B 24 -6.281 -7.200 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -5.450 -9.201 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -5.675 -10.165 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -8.117 -9.838 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -7.907 -8.842 -5.134 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.618 -8.809 -1.043 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.480 -8.972 0.123 1.00 0.00 C ATOM 1254 C ASN B 25 -7.628 -7.667 0.899 1.00 0.00 C ATOM 1255 O ASN B 25 -8.740 -7.266 1.242 1.00 0.00 O ATOM 1256 CB ASN B 25 -6.930 -10.065 1.044 1.00 0.00 C ATOM 1257 CG ASN B 25 -6.901 -11.435 0.387 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -6.472 -12.414 0.996 1.00 0.00 O ATOM 1259 ND2 ASN B 25 -7.358 -11.514 -0.859 1.00 0.00 N ATOM 0 H ASN B 25 -5.697 -9.238 -0.949 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.466 -9.265 -0.237 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -5.921 -9.796 1.356 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -7.540 -10.113 1.946 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -7.361 -12.411 -1.345 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -7.705 -10.678 -1.329 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.505 -7.010 1.181 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.526 -5.756 1.925 1.00 0.00 C ATOM 1268 C VAL B 26 -7.412 -4.722 1.239 1.00 0.00 C ATOM 1269 O VAL B 26 -8.209 -4.048 1.891 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.108 -5.178 2.107 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -4.239 -6.141 2.899 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -4.469 -4.855 0.768 1.00 0.00 C ATOM 0 H VAL B 26 -5.574 -7.324 0.907 1.00 0.00 H new ATOM 0 HA VAL B 26 -6.938 -5.981 2.909 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.193 -4.247 2.667 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.242 -5.717 3.018 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.682 -6.308 3.881 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.169 -7.090 2.367 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.470 -4.449 0.930 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.399 -5.763 0.170 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.078 -4.120 0.242 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.277 -4.608 -0.078 1.00 0.00 N ATOM 1283 CA LYS B 27 -8.075 -3.661 -0.847 1.00 0.00 C ATOM 1284 C LYS B 27 -9.529 -4.117 -0.917 1.00 0.00 C ATOM 1285 O LYS B 27 -10.446 -3.296 -0.924 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.500 -3.491 -2.255 1.00 0.00 C ATOM 1287 CG LYS B 27 -6.071 -2.968 -2.263 1.00 0.00 C ATOM 1288 CD LYS B 27 -5.582 -2.667 -3.672 1.00 0.00 C ATOM 1289 CE LYS B 27 -5.569 -3.912 -4.544 1.00 0.00 C ATOM 1290 NZ LYS B 27 -5.043 -3.631 -5.908 1.00 0.00 N ATOM 0 H LYS B 27 -6.623 -5.159 -0.634 1.00 0.00 H new ATOM 0 HA LYS B 27 -8.040 -2.696 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.531 -4.451 -2.771 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -8.133 -2.806 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.013 -2.063 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.413 -3.704 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -6.224 -1.912 -4.126 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.578 -2.245 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.957 -4.680 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.580 -4.312 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.161 -4.474 -6.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.567 -2.835 -6.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.034 -3.388 -5.848 1.00 0.00 H new ATOM 1304 N ALA B 28 -9.731 -5.431 -0.967 1.00 0.00 N ATOM 1305 CA ALA B 28 -11.074 -5.996 -1.032 1.00 0.00 C ATOM 1306 C ALA B 28 -11.919 -5.534 0.151 1.00 0.00 C ATOM 1307 O ALA B 28 -13.109 -5.261 0.004 1.00 0.00 O ATOM 1308 CB ALA B 28 -11.012 -7.514 -1.083 1.00 0.00 C ATOM 0 H ALA B 28 -8.982 -6.123 -0.964 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.548 -5.638 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -12.023 -7.918 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.454 -7.826 -1.966 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.514 -7.888 -0.188 1.00 0.00 H new ATOM 1314 N LYS B 29 -11.293 -5.438 1.322 1.00 0.00 N ATOM 1315 CA LYS B 29 -11.990 -4.993 2.521 1.00 0.00 C ATOM 1316 C LYS B 29 -12.427 -3.553 2.336 1.00 0.00 C ATOM 1317 O LYS B 29 -13.531 -3.171 2.718 1.00 0.00 O ATOM 1318 CB LYS B 29 -11.081 -5.104 3.747 1.00 0.00 C ATOM 1319 CG LYS B 29 -10.225 -6.360 3.767 1.00 0.00 C ATOM 1320 CD LYS B 29 -9.401 -6.458 5.042 1.00 0.00 C ATOM 1321 CE LYS B 29 -10.286 -6.564 6.274 1.00 0.00 C ATOM 1322 NZ LYS B 29 -9.488 -6.670 7.526 1.00 0.00 N ATOM 0 H LYS B 29 -10.308 -5.662 1.463 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.861 -5.628 2.681 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.429 -4.231 3.784 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.696 -5.081 4.647 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.865 -7.238 3.679 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.560 -6.362 2.903 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -8.747 -7.328 4.987 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -8.759 -5.582 5.129 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.935 -5.690 6.331 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.933 -7.436 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.033 -6.276 8.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.272 -7.669 7.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -8.601 -6.138 7.418 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.546 -2.765 1.727 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.825 -1.366 1.460 1.00 0.00 C ATOM 1338 C ILE B 30 -13.132 -1.236 0.684 1.00 0.00 C ATOM 1339 O ILE B 30 -13.876 -0.271 0.859 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.677 -0.708 0.669 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.355 -0.838 1.435 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -10.991 0.756 0.391 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -9.361 -0.155 2.786 1.00 0.00 C ATOM 0 H ILE B 30 -10.629 -3.078 1.409 1.00 0.00 H new ATOM 0 HA ILE B 30 -11.916 -0.850 2.416 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.575 -1.225 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.129 -1.895 1.574 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -8.552 -0.417 0.829 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -10.170 1.204 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.909 0.827 -0.193 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -11.120 1.286 1.335 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -8.392 -0.291 3.267 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -9.555 0.910 2.655 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -10.140 -0.591 3.411 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.420 -2.237 -0.150 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.655 -2.253 -0.923 1.00 0.00 C ATOM 1357 C GLN B 31 -15.826 -2.257 0.038 1.00 0.00 C ATOM 1358 O GLN B 31 -16.715 -1.408 -0.029 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.725 -3.503 -1.800 1.00 0.00 C ATOM 1360 CG GLN B 31 -13.532 -3.682 -2.719 1.00 0.00 C ATOM 1361 CD GLN B 31 -13.586 -4.997 -3.470 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -13.484 -6.071 -2.877 1.00 0.00 O ATOM 1363 NE2 GLN B 31 -13.766 -4.916 -4.779 1.00 0.00 N ATOM 0 H GLN B 31 -12.814 -3.043 -0.305 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.686 -1.373 -1.566 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -14.810 -4.380 -1.158 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -15.632 -3.460 -2.403 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.497 -2.858 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -12.614 -3.636 -2.134 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -13.845 -4.003 -5.227 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -13.826 -5.766 -5.339 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.794 -3.216 0.955 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.826 -3.337 1.968 1.00 0.00 C ATOM 1374 C ASP B 32 -16.841 -2.080 2.823 1.00 0.00 C ATOM 1375 O ASP B 32 -17.884 -1.651 3.317 1.00 0.00 O ATOM 1376 CB ASP B 32 -16.576 -4.568 2.841 1.00 0.00 C ATOM 1377 CG ASP B 32 -17.621 -4.727 3.928 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -18.820 -4.807 3.592 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -17.238 -4.779 5.115 1.00 0.00 O ATOM 0 H ASP B 32 -15.060 -3.922 1.015 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.794 -3.455 1.481 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -16.569 -5.460 2.214 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -15.589 -4.492 3.298 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.658 -1.499 2.981 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.479 -0.284 3.761 1.00 0.00 C ATOM 1386 C LYS B 33 -16.176 0.906 3.108 1.00 0.00 C ATOM 1387 O LYS B 33 -16.643 1.814 3.798 1.00 0.00 O ATOM 1388 CB LYS B 33 -13.984 0.001 3.933 1.00 0.00 C ATOM 1389 CG LYS B 33 -13.279 -0.973 4.865 1.00 0.00 C ATOM 1390 CD LYS B 33 -13.849 -0.916 6.274 1.00 0.00 C ATOM 1391 CE LYS B 33 -13.141 -1.891 7.200 1.00 0.00 C ATOM 1392 NZ LYS B 33 -13.693 -1.846 8.582 1.00 0.00 N ATOM 0 H LYS B 33 -14.796 -1.858 2.571 1.00 0.00 H new ATOM 0 HA LYS B 33 -15.934 -0.434 4.740 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.502 -0.032 2.956 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -13.858 1.013 4.317 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -13.376 -1.986 4.474 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -12.214 -0.743 4.894 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -13.752 0.096 6.666 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -14.914 -1.146 6.247 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -13.236 -2.902 6.804 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -12.076 -1.658 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -13.183 -2.525 9.182 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -13.579 -0.888 8.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -14.703 -2.093 8.561 1.00 0.00 H new ATOM 1406 N GLU B 34 -16.246 0.904 1.779 1.00 0.00 N ATOM 1407 CA GLU B 34 -16.888 1.996 1.051 1.00 0.00 C ATOM 1408 C GLU B 34 -17.555 1.497 -0.229 1.00 0.00 C ATOM 1409 O GLU B 34 -18.772 1.604 -0.384 1.00 0.00 O ATOM 1410 CB GLU B 34 -15.863 3.081 0.714 1.00 0.00 C ATOM 1411 CG GLU B 34 -16.449 4.277 -0.022 1.00 0.00 C ATOM 1412 CD GLU B 34 -17.492 5.018 0.792 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -18.551 4.426 1.084 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -17.247 6.190 1.143 1.00 0.00 O ATOM 0 H GLU B 34 -15.869 0.164 1.187 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.661 2.416 1.695 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -15.398 3.427 1.637 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -15.073 2.643 0.104 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -15.645 4.965 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -16.898 3.938 -0.956 1.00 0.00 H new ATOM 1421 N GLY B 35 -16.757 0.951 -1.143 1.00 0.00 N ATOM 1422 CA GLY B 35 -17.304 0.448 -2.391 1.00 0.00 C ATOM 1423 C GLY B 35 -16.477 0.847 -3.598 1.00 0.00 C ATOM 1424 O GLY B 35 -16.982 1.493 -4.516 1.00 0.00 O ATOM 0 H GLY B 35 -15.747 0.848 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.367 -0.639 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -18.321 0.821 -2.513 1.00 0.00 H new ATOM 1428 N ILE B 36 -15.202 0.467 -3.597 1.00 0.00 N ATOM 1429 CA ILE B 36 -14.310 0.800 -4.701 1.00 0.00 C ATOM 1430 C ILE B 36 -13.420 -0.383 -5.071 1.00 0.00 C ATOM 1431 O ILE B 36 -12.778 -0.980 -4.206 1.00 0.00 O ATOM 1432 CB ILE B 36 -13.398 2.001 -4.365 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -13.756 2.610 -3.006 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -13.485 3.051 -5.457 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -13.342 1.756 -1.828 1.00 0.00 C ATOM 0 H ILE B 36 -14.766 -0.069 -2.847 1.00 0.00 H new ATOM 0 HA ILE B 36 -14.954 1.060 -5.541 1.00 0.00 H new ATOM 0 HB ILE B 36 -12.372 1.638 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -13.281 3.587 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -14.833 2.774 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.837 3.891 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -13.167 2.617 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -14.514 3.400 -5.545 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -13.628 2.252 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.837 0.787 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.262 1.613 -1.844 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.362 -0.733 -6.369 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.535 -1.843 -6.852 1.00 0.00 C ATOM 1449 C PRO B 37 -11.098 -1.753 -6.344 1.00 0.00 C ATOM 1450 O PRO B 37 -10.536 -0.663 -6.241 1.00 0.00 O ATOM 1451 CB PRO B 37 -12.577 -1.679 -8.372 1.00 0.00 C ATOM 1452 CG PRO B 37 -13.869 -0.991 -8.638 1.00 0.00 C ATOM 1453 CD PRO B 37 -14.093 -0.072 -7.468 1.00 0.00 C ATOM 0 HA PRO B 37 -12.901 -2.809 -6.505 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -11.733 -1.090 -8.731 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -12.530 -2.644 -8.877 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -13.829 -0.431 -9.573 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -14.683 -1.710 -8.732 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -13.707 0.928 -7.663 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -15.153 0.035 -7.238 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.487 -2.903 -6.012 1.00 0.00 N ATOM 1462 CA PRO B 38 -9.111 -2.953 -5.505 1.00 0.00 C ATOM 1463 C PRO B 38 -8.106 -2.343 -6.476 1.00 0.00 C ATOM 1464 O PRO B 38 -7.160 -1.672 -6.066 1.00 0.00 O ATOM 1465 CB PRO B 38 -8.843 -4.453 -5.334 1.00 0.00 C ATOM 1466 CG PRO B 38 -10.192 -5.075 -5.230 1.00 0.00 C ATOM 1467 CD PRO B 38 -11.090 -4.245 -6.100 1.00 0.00 C ATOM 0 HA PRO B 38 -9.001 -2.378 -4.585 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.288 -4.854 -6.182 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.248 -4.649 -4.442 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.172 -6.112 -5.565 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.542 -5.080 -4.198 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.110 -4.612 -7.126 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.119 -4.250 -5.740 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.313 -2.588 -7.765 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.423 -2.072 -8.797 1.00 0.00 C ATOM 1477 C ASP B 39 -7.381 -0.549 -8.783 1.00 0.00 C ATOM 1478 O ASP B 39 -6.340 0.053 -9.048 1.00 0.00 O ATOM 1479 CB ASP B 39 -7.856 -2.578 -10.176 1.00 0.00 C ATOM 1480 CG ASP B 39 -9.278 -2.186 -10.525 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -9.556 -0.972 -10.623 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -10.117 -3.094 -10.703 1.00 0.00 O ATOM 0 H ASP B 39 -9.092 -3.142 -8.120 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.418 -2.438 -8.585 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -7.179 -2.182 -10.933 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -7.766 -3.664 -10.204 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.517 0.073 -8.482 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.598 1.525 -8.446 1.00 0.00 C ATOM 1489 C GLN B 40 -7.724 2.102 -7.336 1.00 0.00 C ATOM 1490 O GLN B 40 -7.072 3.129 -7.523 1.00 0.00 O ATOM 1491 CB GLN B 40 -10.050 1.972 -8.282 1.00 0.00 C ATOM 1492 CG GLN B 40 -10.930 1.587 -9.462 1.00 0.00 C ATOM 1493 CD GLN B 40 -12.372 2.035 -9.308 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -13.197 1.814 -10.195 1.00 0.00 O ATOM 1495 NE2 GLN B 40 -12.690 2.660 -8.181 1.00 0.00 N ATOM 0 H GLN B 40 -9.390 -0.406 -8.261 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.221 1.908 -9.394 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.459 1.532 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -10.078 3.054 -8.153 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -10.517 2.023 -10.372 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -10.905 0.504 -9.587 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -11.977 2.824 -7.470 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.647 2.976 -8.026 1.00 0.00 H new ATOM 1504 N GLN B 41 -7.709 1.436 -6.184 1.00 0.00 N ATOM 1505 CA GLN B 41 -6.906 1.891 -5.053 1.00 0.00 C ATOM 1506 C GLN B 41 -5.425 1.934 -5.426 1.00 0.00 C ATOM 1507 O GLN B 41 -4.878 0.960 -5.942 1.00 0.00 O ATOM 1508 CB GLN B 41 -7.130 0.976 -3.850 1.00 0.00 C ATOM 1509 CG GLN B 41 -8.555 1.027 -3.320 1.00 0.00 C ATOM 1510 CD GLN B 41 -8.807 0.029 -2.211 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -8.115 0.022 -1.193 1.00 0.00 O ATOM 1512 NE2 GLN B 41 -9.811 -0.820 -2.401 1.00 0.00 N ATOM 0 H GLN B 41 -8.241 0.583 -6.010 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.218 2.901 -4.788 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.889 -0.049 -4.131 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -6.442 1.258 -3.053 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.765 2.032 -2.952 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -9.249 0.836 -4.139 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -10.358 -0.778 -3.261 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -10.034 -1.514 -1.687 1.00 0.00 H new ATOM 1521 N ARG B 42 -4.791 3.077 -5.179 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.386 3.258 -5.509 1.00 0.00 C ATOM 1523 C ARG B 42 -2.467 2.829 -4.370 1.00 0.00 C ATOM 1524 O ARG B 42 -2.599 3.301 -3.243 1.00 0.00 O ATOM 1525 CB ARG B 42 -3.109 4.718 -5.878 1.00 0.00 C ATOM 1526 CG ARG B 42 -1.655 4.988 -6.237 1.00 0.00 C ATOM 1527 CD ARG B 42 -1.421 6.436 -6.650 1.00 0.00 C ATOM 1528 NE ARG B 42 -2.098 6.783 -7.900 1.00 0.00 N ATOM 1529 CZ ARG B 42 -3.385 7.112 -7.987 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -4.129 7.211 -6.893 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -3.926 7.365 -9.171 1.00 0.00 N ATOM 0 H ARG B 42 -5.231 3.891 -4.751 1.00 0.00 H new ATOM 0 HA ARG B 42 -3.173 2.618 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.741 4.998 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.393 5.356 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -1.022 4.749 -5.383 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -1.355 4.327 -7.051 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -1.770 7.097 -5.857 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -0.351 6.609 -6.761 1.00 0.00 H new ATOM 0 HE ARG B 42 -1.549 6.772 -8.759 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -3.716 7.035 -5.977 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -5.114 7.464 -6.968 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -3.356 7.307 -10.015 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -4.912 7.617 -9.238 1.00 0.00 H new ATOM 1545 N LEU B 43 -1.521 1.948 -4.682 1.00 0.00 N ATOM 1546 CA LEU B 43 -0.564 1.469 -3.691 1.00 0.00 C ATOM 1547 C LEU B 43 0.492 2.531 -3.411 1.00 0.00 C ATOM 1548 O LEU B 43 1.071 3.103 -4.336 1.00 0.00 O ATOM 1549 CB LEU B 43 0.113 0.179 -4.166 1.00 0.00 C ATOM 1550 CG LEU B 43 -0.781 -1.065 -4.197 1.00 0.00 C ATOM 1551 CD1 LEU B 43 -1.241 -1.426 -2.793 1.00 0.00 C ATOM 1552 CD2 LEU B 43 -1.976 -0.850 -5.114 1.00 0.00 C ATOM 0 H LEU B 43 -1.397 1.552 -5.614 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.110 1.259 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.509 0.345 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.965 -0.024 -3.517 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.196 -1.895 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.875 -2.312 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -0.372 -1.630 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.806 -0.595 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -2.596 -1.746 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -2.563 -0.005 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -1.626 -0.644 -6.126 1.00 0.00 H new ATOM 1564 N ILE B 44 0.738 2.790 -2.132 1.00 0.00 N ATOM 1565 CA ILE B 44 1.724 3.783 -1.728 1.00 0.00 C ATOM 1566 C ILE B 44 2.454 3.342 -0.463 1.00 0.00 C ATOM 1567 O ILE B 44 1.843 2.814 0.465 1.00 0.00 O ATOM 1568 CB ILE B 44 1.066 5.157 -1.493 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.395 5.642 -2.781 1.00 0.00 C ATOM 1570 CG2 ILE B 44 2.098 6.166 -1.010 1.00 0.00 C ATOM 1571 CD1 ILE B 44 -0.349 6.947 -2.627 1.00 0.00 C ATOM 0 H ILE B 44 0.267 2.325 -1.356 1.00 0.00 H new ATOM 0 HA ILE B 44 2.445 3.875 -2.540 1.00 0.00 H new ATOM 0 HB ILE B 44 0.304 5.056 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.155 5.757 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.300 4.877 -3.128 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.616 7.130 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.536 5.819 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.882 6.272 -1.760 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.797 7.225 -3.581 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -1.132 6.833 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.345 7.726 -2.311 1.00 0.00 H new ATOM 1583 N PHE B 45 3.766 3.557 -0.438 1.00 0.00 N ATOM 1584 CA PHE B 45 4.584 3.175 0.708 1.00 0.00 C ATOM 1585 C PHE B 45 5.530 4.311 1.090 1.00 0.00 C ATOM 1586 O PHE B 45 6.041 5.017 0.220 1.00 0.00 O ATOM 1587 CB PHE B 45 5.396 1.911 0.395 1.00 0.00 C ATOM 1588 CG PHE B 45 4.579 0.758 -0.118 1.00 0.00 C ATOM 1589 CD1 PHE B 45 4.065 0.773 -1.405 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.325 -0.340 0.687 1.00 0.00 C ATOM 1591 CE1 PHE B 45 3.316 -0.287 -1.880 1.00 0.00 C ATOM 1592 CE2 PHE B 45 3.575 -1.402 0.218 1.00 0.00 C ATOM 1593 CZ PHE B 45 3.070 -1.376 -1.067 1.00 0.00 C ATOM 0 H PHE B 45 4.286 3.994 -1.199 1.00 0.00 H new ATOM 0 HA PHE B 45 3.918 2.969 1.546 1.00 0.00 H new ATOM 0 HB2 PHE B 45 6.158 2.158 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE B 45 5.918 1.597 1.299 1.00 0.00 H new ATOM 0 HD1 PHE B 45 4.252 1.623 -2.044 1.00 0.00 H new ATOM 0 HD2 PHE B 45 4.718 -0.367 1.693 1.00 0.00 H new ATOM 0 HE1 PHE B 45 2.923 -0.264 -2.886 1.00 0.00 H new ATOM 0 HE2 PHE B 45 3.384 -2.252 0.856 1.00 0.00 H new ATOM 0 HZ PHE B 45 2.484 -2.205 -1.435 1.00 0.00 H new ATOM 1603 N ALA B 46 5.763 4.486 2.389 1.00 0.00 N ATOM 1604 CA ALA B 46 6.652 5.544 2.862 1.00 0.00 C ATOM 1605 C ALA B 46 7.222 5.219 4.238 1.00 0.00 C ATOM 1606 O ALA B 46 6.481 5.048 5.207 1.00 0.00 O ATOM 1607 CB ALA B 46 5.915 6.873 2.898 1.00 0.00 C ATOM 0 H ALA B 46 5.352 3.914 3.127 1.00 0.00 H new ATOM 0 HA ALA B 46 7.486 5.617 2.164 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.589 7.653 3.252 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.566 7.123 1.896 1.00 0.00 H new ATOM 0 HB3 ALA B 46 5.061 6.797 3.571 1.00 0.00 H new ATOM 1613 N GLY B 47 8.546 5.139 4.316 1.00 0.00 N ATOM 1614 CA GLY B 47 9.200 4.835 5.575 1.00 0.00 C ATOM 1615 C GLY B 47 9.142 5.987 6.555 1.00 0.00 C ATOM 1616 O GLY B 47 8.096 6.611 6.734 1.00 0.00 O ATOM 0 H GLY B 47 9.179 5.280 3.528 1.00 0.00 H new ATOM 0 HA2 GLY B 47 8.730 3.959 6.022 1.00 0.00 H new ATOM 0 HA3 GLY B 47 10.242 4.576 5.386 1.00 0.00 H new ATOM 1620 N LYS B 48 10.272 6.264 7.196 1.00 0.00 N ATOM 1621 CA LYS B 48 10.361 7.344 8.171 1.00 0.00 C ATOM 1622 C LYS B 48 10.336 8.701 7.493 1.00 0.00 C ATOM 1623 O LYS B 48 11.358 9.379 7.383 1.00 0.00 O ATOM 1624 CB LYS B 48 11.628 7.194 9.018 1.00 0.00 C ATOM 1625 CG LYS B 48 11.798 8.277 10.073 1.00 0.00 C ATOM 1626 CD LYS B 48 10.678 8.244 11.099 1.00 0.00 C ATOM 1627 CE LYS B 48 10.862 9.320 12.155 1.00 0.00 C ATOM 1628 NZ LYS B 48 12.159 9.178 12.874 1.00 0.00 N ATOM 0 H LYS B 48 11.143 5.752 7.057 1.00 0.00 H new ATOM 0 HA LYS B 48 9.491 7.279 8.824 1.00 0.00 H new ATOM 0 HB2 LYS B 48 11.611 6.221 9.510 1.00 0.00 H new ATOM 0 HB3 LYS B 48 12.496 7.203 8.359 1.00 0.00 H new ATOM 0 HG2 LYS B 48 12.756 8.147 10.576 1.00 0.00 H new ATOM 0 HG3 LYS B 48 11.821 9.254 9.591 1.00 0.00 H new ATOM 0 HD2 LYS B 48 9.720 8.383 10.598 1.00 0.00 H new ATOM 0 HD3 LYS B 48 10.649 7.265 11.577 1.00 0.00 H new ATOM 0 HE2 LYS B 48 10.814 10.302 11.685 1.00 0.00 H new ATOM 0 HE3 LYS B 48 10.042 9.269 12.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 12.148 9.768 13.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 12.301 8.183 13.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 12.935 9.484 12.253 1.00 0.00 H new ATOM 1642 N GLN B 49 9.151 9.098 7.056 1.00 0.00 N ATOM 1643 CA GLN B 49 8.982 10.382 6.414 1.00 0.00 C ATOM 1644 C GLN B 49 9.286 11.488 7.413 1.00 0.00 C ATOM 1645 O GLN B 49 8.513 11.726 8.338 1.00 0.00 O ATOM 1646 CB GLN B 49 7.557 10.511 5.869 1.00 0.00 C ATOM 1647 CG GLN B 49 6.472 10.377 6.929 1.00 0.00 C ATOM 1648 CD GLN B 49 5.073 10.493 6.353 1.00 0.00 C ATOM 1649 OE1 GLN B 49 4.672 9.700 5.500 1.00 0.00 O ATOM 1650 NE2 GLN B 49 4.324 11.484 6.819 1.00 0.00 N ATOM 0 H GLN B 49 8.296 8.547 7.136 1.00 0.00 H new ATOM 0 HA GLN B 49 9.673 10.469 5.575 1.00 0.00 H new ATOM 0 HB2 GLN B 49 7.453 11.479 5.378 1.00 0.00 H new ATOM 0 HB3 GLN B 49 7.401 9.748 5.106 1.00 0.00 H new ATOM 0 HG2 GLN B 49 6.576 9.414 7.430 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.613 11.147 7.687 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.698 12.117 7.526 1.00 0.00 H new ATOM 0 HE22 GLN B 49 3.374 11.613 6.470 1.00 0.00 H new ATOM 1659 N LEU B 50 10.430 12.139 7.236 1.00 0.00 N ATOM 1660 CA LEU B 50 10.854 13.206 8.140 1.00 0.00 C ATOM 1661 C LEU B 50 9.782 14.280 8.261 1.00 0.00 C ATOM 1662 O LEU B 50 9.881 15.340 7.641 1.00 0.00 O ATOM 1663 CB LEU B 50 12.150 13.843 7.639 1.00 0.00 C ATOM 1664 CG LEU B 50 13.307 12.879 7.395 1.00 0.00 C ATOM 1665 CD1 LEU B 50 13.865 13.090 5.992 1.00 0.00 C ATOM 1666 CD2 LEU B 50 14.386 13.069 8.453 1.00 0.00 C ATOM 0 H LEU B 50 11.082 11.948 6.475 1.00 0.00 H new ATOM 0 HA LEU B 50 11.020 12.762 9.122 1.00 0.00 H new ATOM 0 HB2 LEU B 50 11.938 14.371 6.709 1.00 0.00 H new ATOM 0 HB3 LEU B 50 12.470 14.591 8.365 1.00 0.00 H new ATOM 0 HG LEU B 50 12.945 11.854 7.470 1.00 0.00 H new ATOM 0 HD11 LEU B 50 14.691 12.400 5.821 1.00 0.00 H new ATOM 0 HD12 LEU B 50 13.081 12.906 5.257 1.00 0.00 H new ATOM 0 HD13 LEU B 50 14.222 14.115 5.893 1.00 0.00 H new ATOM 0 HD21 LEU B 50 15.205 12.375 8.266 1.00 0.00 H new ATOM 0 HD22 LEU B 50 14.761 14.092 8.411 1.00 0.00 H new ATOM 0 HD23 LEU B 50 13.966 12.877 9.440 1.00 0.00 H new ATOM 1678 N GLU B 51 8.760 14.006 9.066 1.00 0.00 N ATOM 1679 CA GLU B 51 7.672 14.953 9.272 1.00 0.00 C ATOM 1680 C GLU B 51 6.994 15.301 7.947 1.00 0.00 C ATOM 1681 O GLU B 51 6.051 14.580 7.560 1.00 0.00 O ATOM 1682 CB GLU B 51 8.204 16.220 9.946 1.00 0.00 C ATOM 1683 CG GLU B 51 7.123 17.239 10.270 1.00 0.00 C ATOM 1684 CD GLU B 51 7.673 18.494 10.923 1.00 0.00 C ATOM 1685 OE1 GLU B 51 8.430 19.230 10.255 1.00 0.00 O ATOM 1686 OE2 GLU B 51 7.351 18.737 12.104 1.00 0.00 O ATOM 1687 OXT GLU B 51 7.414 16.289 7.307 1.00 0.00 O ATOM 0 H GLU B 51 8.664 13.134 9.587 1.00 0.00 H new ATOM 0 HA GLU B 51 6.929 14.490 9.921 1.00 0.00 H new ATOM 0 HB2 GLU B 51 8.718 15.943 10.867 1.00 0.00 H new ATOM 0 HB3 GLU B 51 8.945 16.684 9.295 1.00 0.00 H new ATOM 0 HG2 GLU B 51 6.601 17.511 9.353 1.00 0.00 H new ATOM 0 HG3 GLU B 51 6.387 16.783 10.933 1.00 0.00 H new TER 1694 GLU B 51