USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 GLN : amide:sc= -1.4 K(o=-2.6,f=-3.9) USER MOD Set 1.2: A 98 THR OG1 : rot -91:sc= -1.2 USER MOD Set 2.1: A 9 MET CE :methyl -122:sc= -0.784 (180deg=-1.7!) USER MOD Set 2.2: A 85 HIS : no HE2:sc= -1.56 K(o=-2.3,f=-5.1!) USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0.962 USER MOD Set 3.2: A 31 SER OG : rot -56:sc= 1.11 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.549 (180deg=0.00157) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 125:sc= 0.00927 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -9.16! C(o=-9.2!,f=-13!) USER MOD Single : A 32 GLN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -98:sc= 1.24 (180deg=-0.711) USER MOD Single : A 35 THR OG1 : rot 98:sc= -0.901 USER MOD Single : A 38 GLN : amide:sc= -3.37! C(o=-3.4!,f=-14!) USER MOD Single : A 40 GLN : amide:sc= -3.23! C(o=-3.2!,f=-6.2!) USER MOD Single : A 46 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-7.4!) USER MOD Single : A 47 ASN : amide:sc= -2.52! C(o=-2.5!,f=-3.4!) USER MOD Single : A 48 GLN : amide:sc= -7.99! C(o=-8!,f=-17!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -129:sc= -1.13 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 53 ASN : amide:sc= 0.588 K(o=0.59,f=-7.3!) USER MOD Single : A 55 ASN : amide:sc= -0.0391 K(o=-0.039,f=-1.6!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0198 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -138:sc= -3.42! (180deg=-5.1!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -140:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -110:sc= 0.811 USER MOD Single : A 88 MET CE :methyl -133:sc= -7.12! (180deg=-15.3!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.468 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.055 20.593 -2.419 1.00 0.00 N ATOM 2 CA GLY A 1 1.786 20.623 -1.711 1.00 0.00 C ATOM 3 C GLY A 1 1.610 19.371 -0.849 1.00 0.00 C ATOM 4 O GLY A 1 2.049 18.286 -1.226 1.00 0.00 O ATOM 0 H1 GLY A 1 3.547 21.500 -2.288 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.644 19.822 -2.044 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.883 20.436 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.737 21.512 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.967 20.694 -2.427 1.00 0.00 H new ATOM 8 N SER A 2 0.966 19.565 0.293 1.00 0.00 N ATOM 9 CA SER A 2 0.727 18.465 1.212 1.00 0.00 C ATOM 10 C SER A 2 -0.776 18.298 1.447 1.00 0.00 C ATOM 11 O SER A 2 -1.362 19.001 2.268 1.00 0.00 O ATOM 12 CB SER A 2 1.450 18.691 2.542 1.00 0.00 C ATOM 13 OG SER A 2 1.538 17.495 3.311 1.00 0.00 O ATOM 0 H SER A 2 0.603 20.467 0.602 1.00 0.00 H new ATOM 0 HA SER A 2 1.123 17.553 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.453 19.073 2.349 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.923 19.453 3.116 1.00 0.00 H new ATOM 0 HG SER A 2 2.007 17.680 4.151 1.00 0.00 H new ATOM 19 N SER A 3 -1.357 17.362 0.711 1.00 0.00 N ATOM 20 CA SER A 3 -2.780 17.093 0.829 1.00 0.00 C ATOM 21 C SER A 3 -3.008 15.850 1.691 1.00 0.00 C ATOM 22 O SER A 3 -3.268 14.767 1.169 1.00 0.00 O ATOM 23 CB SER A 3 -3.421 16.909 -0.548 1.00 0.00 C ATOM 24 OG SER A 3 -4.110 18.081 -0.977 1.00 0.00 O ATOM 0 H SER A 3 -0.868 16.780 0.031 1.00 0.00 H new ATOM 0 HA SER A 3 -3.252 17.951 1.308 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.650 16.655 -1.276 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.117 16.071 -0.515 1.00 0.00 H new ATOM 0 HG SER A 3 -4.504 17.924 -1.861 1.00 0.00 H new ATOM 30 N GLY A 4 -2.902 16.047 2.997 1.00 0.00 N ATOM 31 CA GLY A 4 -3.093 14.955 3.937 1.00 0.00 C ATOM 32 C GLY A 4 -4.068 15.352 5.048 1.00 0.00 C ATOM 33 O GLY A 4 -3.664 15.540 6.194 1.00 0.00 O ATOM 0 H GLY A 4 -2.686 16.947 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.473 14.079 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.134 14.674 4.373 1.00 0.00 H new ATOM 37 N SER A 5 -5.332 15.469 4.669 1.00 0.00 N ATOM 38 CA SER A 5 -6.367 15.840 5.619 1.00 0.00 C ATOM 39 C SER A 5 -6.545 14.732 6.658 1.00 0.00 C ATOM 40 O SER A 5 -6.543 13.550 6.317 1.00 0.00 O ATOM 41 CB SER A 5 -7.692 16.120 4.908 1.00 0.00 C ATOM 42 OG SER A 5 -8.213 14.955 4.273 1.00 0.00 O ATOM 0 H SER A 5 -5.663 15.313 3.717 1.00 0.00 H new ATOM 0 HA SER A 5 -6.057 16.755 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.418 16.496 5.629 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.546 16.904 4.165 1.00 0.00 H new ATOM 0 HG SER A 5 -9.060 15.174 3.832 1.00 0.00 H new ATOM 48 N SER A 6 -6.695 15.153 7.905 1.00 0.00 N ATOM 49 CA SER A 6 -6.875 14.211 8.997 1.00 0.00 C ATOM 50 C SER A 6 -8.201 13.466 8.832 1.00 0.00 C ATOM 51 O SER A 6 -9.261 14.000 9.154 1.00 0.00 O ATOM 52 CB SER A 6 -6.830 14.921 10.351 1.00 0.00 C ATOM 53 OG SER A 6 -6.100 14.175 11.321 1.00 0.00 O ATOM 0 H SER A 6 -6.696 16.134 8.184 1.00 0.00 H new ATOM 0 HA SER A 6 -6.056 13.493 8.967 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.373 15.903 10.230 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.847 15.084 10.709 1.00 0.00 H new ATOM 0 HG SER A 6 -6.093 14.663 12.171 1.00 0.00 H new ATOM 59 N GLY A 7 -8.098 12.243 8.332 1.00 0.00 N ATOM 60 CA GLY A 7 -9.276 11.419 8.121 1.00 0.00 C ATOM 61 C GLY A 7 -9.152 10.086 8.861 1.00 0.00 C ATOM 62 O GLY A 7 -9.053 10.059 10.086 1.00 0.00 O ATOM 0 H GLY A 7 -7.217 11.803 8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.163 11.950 8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.410 11.236 7.055 1.00 0.00 H new ATOM 66 N THR A 8 -9.162 9.012 8.085 1.00 0.00 N ATOM 67 CA THR A 8 -9.052 7.678 8.651 1.00 0.00 C ATOM 68 C THR A 8 -7.689 7.068 8.318 1.00 0.00 C ATOM 69 O THR A 8 -7.218 7.173 7.186 1.00 0.00 O ATOM 70 CB THR A 8 -10.231 6.848 8.138 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.368 7.436 8.765 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.212 5.414 8.669 1.00 0.00 C ATOM 0 H THR A 8 -9.245 9.038 7.069 1.00 0.00 H new ATOM 0 HA THR A 8 -9.104 7.705 9.739 1.00 0.00 H new ATOM 0 HB THR A 8 -10.217 6.831 7.048 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.023 7.691 8.082 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.070 4.869 8.275 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.292 4.921 8.353 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.261 5.429 9.758 1.00 0.00 H new ATOM 80 N MET A 9 -7.094 6.445 9.324 1.00 0.00 N ATOM 81 CA MET A 9 -5.795 5.818 9.152 1.00 0.00 C ATOM 82 C MET A 9 -5.905 4.294 9.240 1.00 0.00 C ATOM 83 O MET A 9 -6.754 3.770 9.959 1.00 0.00 O ATOM 84 CB MET A 9 -4.837 6.324 10.232 1.00 0.00 C ATOM 85 CG MET A 9 -3.439 5.730 10.048 1.00 0.00 C ATOM 86 SD MET A 9 -3.352 4.122 10.818 1.00 0.00 S ATOM 87 CE MET A 9 -3.624 4.580 12.522 1.00 0.00 C ATOM 0 H MET A 9 -7.488 6.361 10.261 1.00 0.00 H new ATOM 0 HA MET A 9 -5.414 6.079 8.165 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.782 7.412 10.193 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.222 6.059 11.217 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.207 5.647 8.986 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.693 6.393 10.486 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.779 4.250 13.127 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.723 5.663 12.596 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.537 4.107 12.885 1.00 0.00 H new ATOM 97 N LEU A 10 -5.034 3.626 8.499 1.00 0.00 N ATOM 98 CA LEU A 10 -5.022 2.173 8.484 1.00 0.00 C ATOM 99 C LEU A 10 -3.598 1.676 8.741 1.00 0.00 C ATOM 100 O LEU A 10 -2.630 2.326 8.350 1.00 0.00 O ATOM 101 CB LEU A 10 -5.633 1.645 7.184 1.00 0.00 C ATOM 102 CG LEU A 10 -7.140 1.384 7.209 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.591 0.657 5.941 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.545 0.630 8.477 1.00 0.00 C ATOM 0 H LEU A 10 -4.331 4.064 7.904 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.647 1.779 9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.421 2.361 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.128 0.716 6.919 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.653 2.345 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.666 0.484 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.356 1.267 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.072 -0.299 5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.621 0.457 8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.024 -0.327 8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.279 1.222 9.353 1.00 0.00 H new ATOM 116 N ARG A 11 -3.516 0.527 9.397 1.00 0.00 N ATOM 117 CA ARG A 11 -2.227 -0.065 9.710 1.00 0.00 C ATOM 118 C ARG A 11 -1.964 -1.273 8.809 1.00 0.00 C ATOM 119 O ARG A 11 -2.492 -2.357 9.049 1.00 0.00 O ATOM 120 CB ARG A 11 -2.165 -0.506 11.174 1.00 0.00 C ATOM 121 CG ARG A 11 -1.100 0.282 11.940 1.00 0.00 C ATOM 122 CD ARG A 11 -0.879 -0.307 13.334 1.00 0.00 C ATOM 123 NE ARG A 11 -0.237 0.697 14.212 1.00 0.00 N ATOM 124 CZ ARG A 11 -0.187 0.605 15.548 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.741 -0.445 16.168 1.00 0.00 N ATOM 126 NH2 ARG A 11 0.417 1.564 16.263 1.00 0.00 N ATOM 0 H ARG A 11 -4.321 -0.009 9.720 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.463 0.693 9.538 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.138 -0.360 11.643 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.942 -1.572 11.227 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.163 0.270 11.383 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.406 1.325 12.026 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.832 -0.619 13.761 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.253 -1.197 13.267 1.00 0.00 H new ATOM 0 HE ARG A 11 0.194 1.510 13.772 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.201 -1.175 15.623 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.703 -0.515 17.185 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.838 2.364 15.790 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.455 1.494 17.280 1.00 0.00 H new ATOM 140 N VAL A 12 -1.148 -1.044 7.790 1.00 0.00 N ATOM 141 CA VAL A 12 -0.809 -2.100 6.852 1.00 0.00 C ATOM 142 C VAL A 12 0.445 -2.828 7.341 1.00 0.00 C ATOM 143 O VAL A 12 1.244 -2.263 8.085 1.00 0.00 O ATOM 144 CB VAL A 12 -0.653 -1.520 5.445 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.786 -0.542 5.126 1.00 0.00 C ATOM 146 CG2 VAL A 12 0.713 -0.850 5.277 1.00 0.00 C ATOM 0 H VAL A 12 -0.712 -0.143 7.594 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.612 -2.835 6.799 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.712 -2.344 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.651 -0.144 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.742 -1.061 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.773 0.277 5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.798 -0.446 4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.813 -0.042 6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.501 -1.585 5.442 1.00 0.00 H new ATOM 156 N ARG A 13 0.578 -4.071 6.902 1.00 0.00 N ATOM 157 CA ARG A 13 1.721 -4.882 7.286 1.00 0.00 C ATOM 158 C ARG A 13 2.470 -5.366 6.043 1.00 0.00 C ATOM 159 O ARG A 13 1.882 -5.997 5.166 1.00 0.00 O ATOM 160 CB ARG A 13 1.284 -6.093 8.113 1.00 0.00 C ATOM 161 CG ARG A 13 2.485 -6.966 8.483 1.00 0.00 C ATOM 162 CD ARG A 13 2.905 -6.733 9.936 1.00 0.00 C ATOM 163 NE ARG A 13 2.946 -8.022 10.663 1.00 0.00 N ATOM 164 CZ ARG A 13 3.265 -8.143 11.959 1.00 0.00 C ATOM 165 NH1 ARG A 13 3.572 -7.054 12.678 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.276 -9.352 12.536 1.00 0.00 N ATOM 0 H ARG A 13 -0.087 -4.536 6.284 1.00 0.00 H new ATOM 0 HA ARG A 13 2.380 -4.260 7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.781 -5.756 9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.562 -6.682 7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.234 -8.017 8.337 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.320 -6.743 7.819 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.885 -6.256 9.968 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.204 -6.054 10.422 1.00 0.00 H new ATOM 0 HE ARG A 13 2.717 -8.871 10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.563 -6.134 12.239 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.815 -7.146 13.664 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.042 -10.180 11.989 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.519 -9.444 13.522 1.00 0.00 H new ATOM 180 N SER A 14 3.756 -5.050 6.007 1.00 0.00 N ATOM 181 CA SER A 14 4.592 -5.445 4.885 1.00 0.00 C ATOM 182 C SER A 14 5.722 -6.355 5.370 1.00 0.00 C ATOM 183 O SER A 14 6.160 -6.252 6.515 1.00 0.00 O ATOM 184 CB SER A 14 5.167 -4.221 4.169 1.00 0.00 C ATOM 185 OG SER A 14 5.745 -3.292 5.082 1.00 0.00 O ATOM 0 H SER A 14 4.240 -4.525 6.736 1.00 0.00 H new ATOM 0 HA SER A 14 3.973 -5.992 4.173 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.922 -4.542 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.377 -3.728 3.602 1.00 0.00 H new ATOM 0 HG SER A 14 6.102 -2.526 4.587 1.00 0.00 H new ATOM 191 N ARG A 15 6.162 -7.227 4.474 1.00 0.00 N ATOM 192 CA ARG A 15 7.233 -8.155 4.796 1.00 0.00 C ATOM 193 C ARG A 15 8.328 -7.445 5.596 1.00 0.00 C ATOM 194 O ARG A 15 8.885 -8.015 6.533 1.00 0.00 O ATOM 195 CB ARG A 15 7.844 -8.752 3.527 1.00 0.00 C ATOM 196 CG ARG A 15 8.273 -7.652 2.554 1.00 0.00 C ATOM 197 CD ARG A 15 8.433 -8.205 1.137 1.00 0.00 C ATOM 198 NE ARG A 15 9.849 -8.118 0.716 1.00 0.00 N ATOM 199 CZ ARG A 15 10.254 -8.098 -0.561 1.00 0.00 C ATOM 200 NH1 ARG A 15 9.352 -8.158 -1.550 1.00 0.00 N ATOM 201 NH2 ARG A 15 11.560 -8.017 -0.849 1.00 0.00 N ATOM 0 H ARG A 15 5.796 -7.310 3.525 1.00 0.00 H new ATOM 0 HA ARG A 15 6.806 -8.960 5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.705 -9.367 3.788 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.119 -9.407 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.533 -6.852 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.215 -7.215 2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.098 -9.242 1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.804 -7.644 0.446 1.00 0.00 H new ATOM 0 HE ARG A 15 10.562 -8.070 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.358 -8.219 -1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.660 -8.143 -2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.246 -7.971 -0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.868 -8.002 -1.821 1.00 0.00 H new ATOM 215 N ASP A 16 8.603 -6.212 5.196 1.00 0.00 N ATOM 216 CA ASP A 16 9.621 -5.419 5.864 1.00 0.00 C ATOM 217 C ASP A 16 9.209 -5.189 7.320 1.00 0.00 C ATOM 218 O ASP A 16 9.998 -5.418 8.235 1.00 0.00 O ATOM 219 CB ASP A 16 9.780 -4.052 5.196 1.00 0.00 C ATOM 220 CG ASP A 16 11.135 -3.376 5.420 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.683 -3.557 6.529 1.00 0.00 O ATOM 222 OD2 ASP A 16 11.592 -2.694 4.478 1.00 0.00 O ATOM 0 H ASP A 16 8.139 -5.743 4.418 1.00 0.00 H new ATOM 0 HA ASP A 16 10.564 -5.962 5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.622 -4.168 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.996 -3.391 5.565 1.00 0.00 H new ATOM 227 N GLY A 17 7.974 -4.740 7.488 1.00 0.00 N ATOM 228 CA GLY A 17 7.448 -4.477 8.816 1.00 0.00 C ATOM 229 C GLY A 17 5.971 -4.084 8.753 1.00 0.00 C ATOM 230 O GLY A 17 5.169 -4.769 8.121 1.00 0.00 O ATOM 0 H GLY A 17 7.322 -4.552 6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.566 -5.363 9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.021 -3.678 9.286 1.00 0.00 H new ATOM 234 N LEU A 18 5.656 -2.981 9.417 1.00 0.00 N ATOM 235 CA LEU A 18 4.290 -2.488 9.444 1.00 0.00 C ATOM 236 C LEU A 18 4.277 -1.011 9.043 1.00 0.00 C ATOM 237 O LEU A 18 5.061 -0.217 9.561 1.00 0.00 O ATOM 238 CB LEU A 18 3.648 -2.762 10.805 1.00 0.00 C ATOM 239 CG LEU A 18 2.398 -1.943 11.135 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.144 -2.818 11.096 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.553 -1.222 12.475 1.00 0.00 C ATOM 0 H LEU A 18 6.324 -2.415 9.940 1.00 0.00 H new ATOM 0 HA LEU A 18 3.678 -3.021 8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.389 -3.820 10.856 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.393 -2.579 11.579 1.00 0.00 H new ATOM 0 HG LEU A 18 2.279 -1.176 10.369 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.270 -2.212 11.334 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.029 -3.245 10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.238 -3.622 11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.651 -0.647 12.685 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.709 -1.955 13.267 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.409 -0.549 12.429 1.00 0.00 H new ATOM 253 N GLU A 19 3.378 -0.688 8.126 1.00 0.00 N ATOM 254 CA GLU A 19 3.253 0.680 7.650 1.00 0.00 C ATOM 255 C GLU A 19 1.819 1.180 7.843 1.00 0.00 C ATOM 256 O GLU A 19 0.893 0.382 7.980 1.00 0.00 O ATOM 257 CB GLU A 19 3.680 0.792 6.185 1.00 0.00 C ATOM 258 CG GLU A 19 5.196 0.964 6.068 1.00 0.00 C ATOM 259 CD GLU A 19 5.643 0.903 4.606 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.293 1.847 3.866 1.00 0.00 O ATOM 261 OE2 GLU A 19 6.324 -0.087 4.262 1.00 0.00 O ATOM 0 H GLU A 19 2.729 -1.349 7.700 1.00 0.00 H new ATOM 0 HA GLU A 19 3.920 1.311 8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.369 -0.101 5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.177 1.640 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.492 1.919 6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.699 0.184 6.639 1.00 0.00 H new ATOM 268 N ARG A 20 1.682 2.497 7.847 1.00 0.00 N ATOM 269 CA ARG A 20 0.377 3.113 8.021 1.00 0.00 C ATOM 270 C ARG A 20 0.073 4.051 6.851 1.00 0.00 C ATOM 271 O ARG A 20 0.980 4.660 6.286 1.00 0.00 O ATOM 272 CB ARG A 20 0.311 3.903 9.330 1.00 0.00 C ATOM 273 CG ARG A 20 1.353 5.023 9.347 1.00 0.00 C ATOM 274 CD ARG A 20 0.829 6.247 10.103 1.00 0.00 C ATOM 275 NE ARG A 20 0.974 7.458 9.265 1.00 0.00 N ATOM 276 CZ ARG A 20 2.144 8.056 9.004 1.00 0.00 C ATOM 277 NH1 ARG A 20 3.279 7.558 9.513 1.00 0.00 N ATOM 278 NH2 ARG A 20 2.180 9.152 8.234 1.00 0.00 N ATOM 0 H ARG A 20 2.453 3.155 7.733 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.365 2.315 8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.686 4.327 9.453 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.479 3.232 10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.269 4.665 9.817 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.608 5.304 8.325 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.218 6.101 10.368 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.379 6.372 11.036 1.00 0.00 H new ATOM 0 HE ARG A 20 0.130 7.863 8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.252 6.724 10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.170 8.013 9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.316 9.531 7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.071 9.607 8.036 1.00 0.00 H new ATOM 292 N VAL A 21 -1.208 4.138 6.522 1.00 0.00 N ATOM 293 CA VAL A 21 -1.643 4.991 5.429 1.00 0.00 C ATOM 294 C VAL A 21 -2.960 5.669 5.812 1.00 0.00 C ATOM 295 O VAL A 21 -3.709 5.156 6.641 1.00 0.00 O ATOM 296 CB VAL A 21 -1.742 4.178 4.137 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.530 4.939 3.069 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.353 3.793 3.624 1.00 0.00 C ATOM 0 H VAL A 21 -1.958 3.632 6.993 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.913 5.779 5.245 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.283 3.259 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.585 4.339 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.538 5.139 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.029 5.882 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.452 3.216 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.225 4.696 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.159 3.193 4.376 1.00 0.00 H new ATOM 308 N SER A 22 -3.203 6.813 5.188 1.00 0.00 N ATOM 309 CA SER A 22 -4.417 7.567 5.452 1.00 0.00 C ATOM 310 C SER A 22 -5.433 7.331 4.333 1.00 0.00 C ATOM 311 O SER A 22 -5.094 7.418 3.154 1.00 0.00 O ATOM 312 CB SER A 22 -4.118 9.061 5.592 1.00 0.00 C ATOM 313 OG SER A 22 -5.199 9.767 6.195 1.00 0.00 O ATOM 0 H SER A 22 -2.580 7.236 4.500 1.00 0.00 H new ATOM 0 HA SER A 22 -4.838 7.219 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.218 9.196 6.191 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.913 9.483 4.608 1.00 0.00 H new ATOM 0 HG SER A 22 -4.969 10.717 6.268 1.00 0.00 H new ATOM 319 N VAL A 23 -6.659 7.038 4.743 1.00 0.00 N ATOM 320 CA VAL A 23 -7.726 6.789 3.789 1.00 0.00 C ATOM 321 C VAL A 23 -8.922 7.682 4.125 1.00 0.00 C ATOM 322 O VAL A 23 -8.793 8.638 4.888 1.00 0.00 O ATOM 323 CB VAL A 23 -8.078 5.300 3.774 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.819 4.441 3.644 1.00 0.00 C ATOM 325 CG2 VAL A 23 -8.880 4.913 5.018 1.00 0.00 C ATOM 0 H VAL A 23 -6.936 6.968 5.722 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.403 7.043 2.779 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.703 5.112 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.097 3.387 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.304 4.688 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.157 4.635 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.117 3.850 4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.291 5.123 5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.804 5.490 5.049 1.00 0.00 H new ATOM 335 N ASP A 24 -10.060 7.339 3.539 1.00 0.00 N ATOM 336 CA ASP A 24 -11.278 8.098 3.766 1.00 0.00 C ATOM 337 C ASP A 24 -12.208 7.298 4.681 1.00 0.00 C ATOM 338 O ASP A 24 -12.521 7.734 5.788 1.00 0.00 O ATOM 339 CB ASP A 24 -12.017 8.360 2.452 1.00 0.00 C ATOM 340 CG ASP A 24 -11.137 8.857 1.304 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.384 8.019 0.762 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.237 10.063 0.993 1.00 0.00 O ATOM 0 H ASP A 24 -10.164 6.545 2.907 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.003 9.050 4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.510 7.439 2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.801 9.095 2.634 1.00 0.00 H new ATOM 347 N GLY A 25 -12.625 6.143 4.183 1.00 0.00 N ATOM 348 CA GLY A 25 -13.514 5.279 4.942 1.00 0.00 C ATOM 349 C GLY A 25 -13.953 4.075 4.106 1.00 0.00 C ATOM 350 O GLY A 25 -13.255 3.673 3.176 1.00 0.00 O ATOM 0 H GLY A 25 -12.364 5.785 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.009 4.935 5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.390 5.843 5.262 1.00 0.00 H new ATOM 354 N PRO A 26 -15.137 3.519 4.478 1.00 0.00 N ATOM 355 CA PRO A 26 -15.677 2.368 3.773 1.00 0.00 C ATOM 356 C PRO A 26 -16.255 2.778 2.417 1.00 0.00 C ATOM 357 O PRO A 26 -16.348 1.958 1.504 1.00 0.00 O ATOM 358 CB PRO A 26 -16.721 1.786 4.712 1.00 0.00 C ATOM 359 CG PRO A 26 -17.056 2.892 5.700 1.00 0.00 C ATOM 360 CD PRO A 26 -15.990 3.968 5.574 1.00 0.00 C ATOM 0 HA PRO A 26 -14.916 1.625 3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.608 1.471 4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.336 0.906 5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.042 3.305 5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.084 2.500 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.433 4.940 5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.423 4.074 6.499 1.00 0.00 H new ATOM 368 N HIS A 27 -16.628 4.046 2.327 1.00 0.00 N ATOM 369 CA HIS A 27 -17.194 4.575 1.097 1.00 0.00 C ATOM 370 C HIS A 27 -16.218 4.342 -0.058 1.00 0.00 C ATOM 371 O HIS A 27 -16.606 4.401 -1.224 1.00 0.00 O ATOM 372 CB HIS A 27 -17.576 6.047 1.264 1.00 0.00 C ATOM 373 CG HIS A 27 -16.518 6.882 1.944 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.653 8.245 2.144 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.308 6.534 2.469 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.567 8.687 2.761 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.735 7.625 2.961 1.00 0.00 N ATOM 0 H HIS A 27 -16.549 4.723 3.086 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.117 4.046 0.859 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.784 6.472 0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.499 6.109 1.840 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.453 8.813 1.864 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.888 5.539 2.482 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.374 9.709 3.054 1.00 0.00 H new ATOM 385 N ILE A 28 -14.971 4.082 0.306 1.00 0.00 N ATOM 386 CA ILE A 28 -13.937 3.841 -0.686 1.00 0.00 C ATOM 387 C ILE A 28 -13.855 2.341 -0.976 1.00 0.00 C ATOM 388 O ILE A 28 -14.429 1.532 -0.248 1.00 0.00 O ATOM 389 CB ILE A 28 -12.609 4.454 -0.237 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.949 3.598 0.846 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.800 5.903 0.215 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.670 2.942 0.322 1.00 0.00 C ATOM 0 H ILE A 28 -14.653 4.033 1.274 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.188 4.335 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.933 4.470 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.716 4.217 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.645 2.829 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.841 6.316 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.196 6.493 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.500 5.934 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.221 2.339 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.910 2.305 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.967 3.714 0.010 1.00 0.00 H new ATOM 404 N THR A 29 -13.137 2.014 -2.040 1.00 0.00 N ATOM 405 CA THR A 29 -12.972 0.626 -2.435 1.00 0.00 C ATOM 406 C THR A 29 -11.487 0.267 -2.515 1.00 0.00 C ATOM 407 O THR A 29 -10.631 1.150 -2.526 1.00 0.00 O ATOM 408 CB THR A 29 -13.719 0.418 -3.754 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.134 1.370 -4.638 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.187 0.840 -3.669 1.00 0.00 C ATOM 0 H THR A 29 -12.662 2.687 -2.641 1.00 0.00 H new ATOM 0 HA THR A 29 -13.398 -0.050 -1.693 1.00 0.00 H new ATOM 0 HB THR A 29 -13.660 -0.631 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.559 1.303 -5.519 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.670 0.672 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.691 0.252 -2.902 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.247 1.898 -3.413 1.00 0.00 H new ATOM 418 N VAL A 30 -11.227 -1.032 -2.567 1.00 0.00 N ATOM 419 CA VAL A 30 -9.860 -1.519 -2.645 1.00 0.00 C ATOM 420 C VAL A 30 -9.111 -0.750 -3.736 1.00 0.00 C ATOM 421 O VAL A 30 -7.904 -0.539 -3.633 1.00 0.00 O ATOM 422 CB VAL A 30 -9.856 -3.032 -2.871 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.434 -3.548 -3.102 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.521 -3.762 -1.702 1.00 0.00 C ATOM 0 H VAL A 30 -11.940 -1.762 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.337 -1.343 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.437 -3.238 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.459 -4.626 -3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.009 -3.062 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.819 -3.323 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.505 -4.836 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.979 -3.545 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.553 -3.426 -1.603 1.00 0.00 H new ATOM 434 N SER A 31 -9.859 -0.352 -4.755 1.00 0.00 N ATOM 435 CA SER A 31 -9.280 0.388 -5.863 1.00 0.00 C ATOM 436 C SER A 31 -8.669 1.696 -5.356 1.00 0.00 C ATOM 437 O SER A 31 -7.546 2.042 -5.719 1.00 0.00 O ATOM 438 CB SER A 31 -10.328 0.675 -6.941 1.00 0.00 C ATOM 439 OG SER A 31 -11.272 1.656 -6.520 1.00 0.00 O ATOM 0 H SER A 31 -10.860 -0.528 -4.836 1.00 0.00 H new ATOM 0 HA SER A 31 -8.496 -0.223 -6.310 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.830 1.017 -7.849 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.851 -0.247 -7.192 1.00 0.00 H new ATOM 0 HG SER A 31 -11.695 1.365 -5.685 1.00 0.00 H new ATOM 445 N GLN A 32 -9.436 2.388 -4.525 1.00 0.00 N ATOM 446 CA GLN A 32 -8.984 3.650 -3.965 1.00 0.00 C ATOM 447 C GLN A 32 -7.955 3.402 -2.860 1.00 0.00 C ATOM 448 O GLN A 32 -6.990 4.153 -2.725 1.00 0.00 O ATOM 449 CB GLN A 32 -10.163 4.471 -3.442 1.00 0.00 C ATOM 450 CG GLN A 32 -11.112 4.854 -4.579 1.00 0.00 C ATOM 451 CD GLN A 32 -12.011 6.024 -4.173 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.639 7.183 -4.252 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.212 5.657 -3.734 1.00 0.00 N ATOM 0 H GLN A 32 -10.367 2.098 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.506 4.226 -4.757 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.704 3.898 -2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.794 5.372 -2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.535 5.124 -5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.727 3.995 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.460 4.668 -3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.885 6.364 -3.438 1.00 0.00 H new ATOM 462 N LEU A 33 -8.195 2.345 -2.098 1.00 0.00 N ATOM 463 CA LEU A 33 -7.302 1.989 -1.009 1.00 0.00 C ATOM 464 C LEU A 33 -5.903 1.723 -1.569 1.00 0.00 C ATOM 465 O LEU A 33 -4.931 2.342 -1.138 1.00 0.00 O ATOM 466 CB LEU A 33 -7.875 0.819 -0.206 1.00 0.00 C ATOM 467 CG LEU A 33 -6.946 0.206 0.844 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.229 1.296 1.643 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.707 -0.763 1.751 1.00 0.00 C ATOM 0 H LEU A 33 -8.995 1.723 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.213 2.816 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.782 1.158 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.169 0.035 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.180 -0.372 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.575 0.834 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.635 1.911 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.965 1.920 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.023 -1.184 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.508 -0.230 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.132 -1.566 1.150 1.00 0.00 H new ATOM 481 N LYS A 34 -5.846 0.803 -2.520 1.00 0.00 N ATOM 482 CA LYS A 34 -4.582 0.448 -3.143 1.00 0.00 C ATOM 483 C LYS A 34 -3.912 1.713 -3.683 1.00 0.00 C ATOM 484 O LYS A 34 -2.816 2.070 -3.254 1.00 0.00 O ATOM 485 CB LYS A 34 -4.793 -0.636 -4.202 1.00 0.00 C ATOM 486 CG LYS A 34 -4.530 -2.028 -3.623 1.00 0.00 C ATOM 487 CD LYS A 34 -5.373 -3.087 -4.335 1.00 0.00 C ATOM 488 CE LYS A 34 -5.314 -4.424 -3.594 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.841 -5.513 -4.446 1.00 0.00 N ATOM 0 H LYS A 34 -6.655 0.292 -2.875 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.903 0.016 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.813 -0.584 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.128 -0.458 -5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.473 -2.273 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.759 -2.032 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.407 -2.749 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.014 -3.217 -5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.285 -4.643 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.894 -4.362 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.832 -5.702 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.786 -5.230 -5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.276 -6.374 -4.299 1.00 0.00 H new ATOM 503 N THR A 35 -4.599 2.356 -4.616 1.00 0.00 N ATOM 504 CA THR A 35 -4.083 3.574 -5.218 1.00 0.00 C ATOM 505 C THR A 35 -3.388 4.438 -4.164 1.00 0.00 C ATOM 506 O THR A 35 -2.285 4.932 -4.391 1.00 0.00 O ATOM 507 CB THR A 35 -5.245 4.284 -5.916 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.370 3.603 -7.162 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.900 5.722 -6.310 1.00 0.00 C ATOM 0 H THR A 35 -5.508 2.057 -4.970 1.00 0.00 H new ATOM 0 HA THR A 35 -3.321 3.354 -5.965 1.00 0.00 H new ATOM 0 HB THR A 35 -6.116 4.286 -5.260 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.082 2.932 -7.098 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.758 6.180 -6.801 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.646 6.293 -5.417 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.050 5.718 -6.993 1.00 0.00 H new ATOM 517 N LEU A 36 -4.062 4.593 -3.034 1.00 0.00 N ATOM 518 CA LEU A 36 -3.523 5.388 -1.944 1.00 0.00 C ATOM 519 C LEU A 36 -2.140 4.857 -1.566 1.00 0.00 C ATOM 520 O LEU A 36 -1.131 5.523 -1.794 1.00 0.00 O ATOM 521 CB LEU A 36 -4.507 5.430 -0.773 1.00 0.00 C ATOM 522 CG LEU A 36 -5.516 6.581 -0.785 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.551 6.414 0.329 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.805 7.933 -0.709 1.00 0.00 C ATOM 0 H LEU A 36 -4.977 4.181 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.392 6.424 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.058 4.490 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.936 5.483 0.154 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.055 6.553 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.256 7.245 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.089 5.476 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.047 6.402 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.544 8.734 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.224 7.987 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.139 8.043 -1.565 1.00 0.00 H new ATOM 536 N ILE A 37 -2.136 3.661 -0.995 1.00 0.00 N ATOM 537 CA ILE A 37 -0.893 3.032 -0.583 1.00 0.00 C ATOM 538 C ILE A 37 0.080 3.013 -1.764 1.00 0.00 C ATOM 539 O ILE A 37 1.285 3.181 -1.583 1.00 0.00 O ATOM 540 CB ILE A 37 -1.164 1.649 0.013 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.744 1.764 1.424 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.096 0.781 -0.020 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.253 1.516 1.418 1.00 0.00 C ATOM 0 H ILE A 37 -2.974 3.111 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.419 3.609 0.212 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.913 1.152 -0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.256 1.044 2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.536 2.755 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.124 -0.196 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.426 0.658 -1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.885 1.262 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.640 1.604 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.740 2.252 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.456 0.515 1.038 1.00 0.00 H new ATOM 555 N GLN A 38 -0.480 2.807 -2.947 1.00 0.00 N ATOM 556 CA GLN A 38 0.323 2.764 -4.158 1.00 0.00 C ATOM 557 C GLN A 38 1.096 4.073 -4.329 1.00 0.00 C ATOM 558 O GLN A 38 2.201 4.079 -4.868 1.00 0.00 O ATOM 559 CB GLN A 38 -0.548 2.477 -5.383 1.00 0.00 C ATOM 560 CG GLN A 38 0.060 3.094 -6.644 1.00 0.00 C ATOM 561 CD GLN A 38 -0.573 4.452 -6.950 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.488 5.393 -6.178 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.210 4.502 -8.116 1.00 0.00 N ATOM 0 H GLN A 38 -1.480 2.668 -3.093 1.00 0.00 H new ATOM 0 HA GLN A 38 1.042 1.950 -4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.653 1.400 -5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.549 2.878 -5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.136 3.211 -6.513 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.087 2.422 -7.489 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.243 3.677 -8.715 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.666 5.365 -8.412 1.00 0.00 H new ATOM 572 N ASP A 39 0.484 5.150 -3.859 1.00 0.00 N ATOM 573 CA ASP A 39 1.101 6.462 -3.954 1.00 0.00 C ATOM 574 C ASP A 39 1.960 6.708 -2.712 1.00 0.00 C ATOM 575 O ASP A 39 3.167 6.920 -2.820 1.00 0.00 O ATOM 576 CB ASP A 39 0.042 7.565 -4.022 1.00 0.00 C ATOM 577 CG ASP A 39 0.475 8.831 -4.763 1.00 0.00 C ATOM 578 OD1 ASP A 39 1.014 8.679 -5.880 1.00 0.00 O ATOM 579 OD2 ASP A 39 0.256 9.924 -4.196 1.00 0.00 O ATOM 0 H ASP A 39 -0.433 5.141 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 39 1.705 6.485 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.848 7.164 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.244 7.837 -3.006 1.00 0.00 H new ATOM 584 N GLN A 40 1.305 6.670 -1.561 1.00 0.00 N ATOM 585 CA GLN A 40 1.993 6.885 -0.300 1.00 0.00 C ATOM 586 C GLN A 40 3.208 5.961 -0.194 1.00 0.00 C ATOM 587 O GLN A 40 4.331 6.425 0.000 1.00 0.00 O ATOM 588 CB GLN A 40 1.046 6.683 0.884 1.00 0.00 C ATOM 589 CG GLN A 40 0.388 8.003 1.292 1.00 0.00 C ATOM 590 CD GLN A 40 -0.729 7.768 2.310 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.496 7.452 3.465 1.00 0.00 O ATOM 592 NE2 GLN A 40 -1.953 7.937 1.818 1.00 0.00 N ATOM 0 H GLN A 40 0.304 6.493 -1.476 1.00 0.00 H new ATOM 0 HA GLN A 40 2.342 7.917 -0.271 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.278 5.956 0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.598 6.271 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.137 8.671 1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.017 8.499 0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.078 8.202 0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.767 7.802 2.418 1.00 0.00 H new ATOM 601 N LEU A 41 2.943 4.670 -0.326 1.00 0.00 N ATOM 602 CA LEU A 41 4.000 3.677 -0.248 1.00 0.00 C ATOM 603 C LEU A 41 4.769 3.651 -1.570 1.00 0.00 C ATOM 604 O LEU A 41 5.825 3.028 -1.667 1.00 0.00 O ATOM 605 CB LEU A 41 3.429 2.316 0.158 1.00 0.00 C ATOM 606 CG LEU A 41 2.574 2.299 1.427 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.392 0.872 1.946 1.00 0.00 C ATOM 608 CD2 LEU A 41 3.158 3.227 2.494 1.00 0.00 C ATOM 0 H LEU A 41 2.011 4.289 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 41 4.714 3.943 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.827 1.936 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.258 1.622 0.293 1.00 0.00 H new ATOM 0 HG LEU A 41 1.584 2.679 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.781 0.888 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.899 0.268 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.367 0.441 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.531 3.196 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.166 2.900 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.193 4.247 2.110 1.00 0.00 H new ATOM 620 N GLN A 42 4.209 4.336 -2.557 1.00 0.00 N ATOM 621 CA GLN A 42 4.829 4.400 -3.869 1.00 0.00 C ATOM 622 C GLN A 42 5.015 2.991 -4.438 1.00 0.00 C ATOM 623 O GLN A 42 6.116 2.622 -4.843 1.00 0.00 O ATOM 624 CB GLN A 42 6.163 5.147 -3.810 1.00 0.00 C ATOM 625 CG GLN A 42 5.946 6.634 -3.521 1.00 0.00 C ATOM 626 CD GLN A 42 5.242 7.323 -4.692 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.099 6.776 -5.773 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.813 8.552 -4.417 1.00 0.00 N ATOM 0 H GLN A 42 3.333 4.851 -2.474 1.00 0.00 H new ATOM 0 HA GLN A 42 4.168 4.956 -4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.794 4.711 -3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.692 5.030 -4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.350 6.749 -2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.906 7.116 -3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.966 8.950 -3.490 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.331 9.096 -5.133 1.00 0.00 H new ATOM 637 N ILE A 43 3.922 2.243 -4.448 1.00 0.00 N ATOM 638 CA ILE A 43 3.950 0.884 -4.960 1.00 0.00 C ATOM 639 C ILE A 43 2.856 0.718 -6.017 1.00 0.00 C ATOM 640 O ILE A 43 1.763 1.264 -5.875 1.00 0.00 O ATOM 641 CB ILE A 43 3.854 -0.123 -3.812 1.00 0.00 C ATOM 642 CG1 ILE A 43 4.941 0.132 -2.766 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.890 -1.559 -4.338 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.574 -0.509 -1.426 1.00 0.00 C ATOM 0 H ILE A 43 3.011 2.553 -4.110 1.00 0.00 H new ATOM 0 HA ILE A 43 4.902 0.682 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 43 2.893 0.014 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.891 -0.271 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.079 1.205 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.820 -2.255 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.051 -1.720 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.825 -1.727 -4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.363 -0.313 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.636 -0.086 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.461 -1.585 -1.556 1.00 0.00 H new ATOM 656 N PRO A 44 3.197 -0.058 -7.080 1.00 0.00 N ATOM 657 CA PRO A 44 2.256 -0.303 -8.160 1.00 0.00 C ATOM 658 C PRO A 44 1.178 -1.301 -7.733 1.00 0.00 C ATOM 659 O PRO A 44 1.489 -2.366 -7.201 1.00 0.00 O ATOM 660 CB PRO A 44 3.106 -0.805 -9.316 1.00 0.00 C ATOM 661 CG PRO A 44 4.418 -1.264 -8.700 1.00 0.00 C ATOM 662 CD PRO A 44 4.482 -0.721 -7.282 1.00 0.00 C ATOM 0 HA PRO A 44 1.704 0.592 -8.448 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.611 -1.625 -9.837 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.274 -0.016 -10.049 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.477 -2.352 -8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.262 -0.901 -9.286 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.632 -1.522 -6.558 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.311 -0.023 -7.162 1.00 0.00 H new ATOM 670 N ILE A 45 -0.067 -0.921 -7.982 1.00 0.00 N ATOM 671 CA ILE A 45 -1.192 -1.770 -7.630 1.00 0.00 C ATOM 672 C ILE A 45 -0.916 -3.198 -8.103 1.00 0.00 C ATOM 673 O ILE A 45 -0.906 -4.131 -7.300 1.00 0.00 O ATOM 674 CB ILE A 45 -2.496 -1.183 -8.174 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.663 0.276 -7.743 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.696 -2.041 -7.767 1.00 0.00 C ATOM 677 CD1 ILE A 45 -4.072 0.783 -8.058 1.00 0.00 C ATOM 0 H ILE A 45 -0.321 -0.037 -8.423 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.314 -1.811 -6.548 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.447 -1.194 -9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.470 0.367 -6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.927 0.896 -8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.610 -1.601 -8.167 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.574 -3.049 -8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.760 -2.085 -6.680 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.164 1.822 -7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.253 0.713 -9.131 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.805 0.176 -7.526 1.00 0.00 H new ATOM 689 N HIS A 46 -0.699 -3.325 -9.404 1.00 0.00 N ATOM 690 CA HIS A 46 -0.424 -4.625 -9.993 1.00 0.00 C ATOM 691 C HIS A 46 0.511 -5.416 -9.076 1.00 0.00 C ATOM 692 O HIS A 46 0.475 -6.646 -9.059 1.00 0.00 O ATOM 693 CB HIS A 46 0.127 -4.472 -11.412 1.00 0.00 C ATOM 694 CG HIS A 46 0.760 -3.128 -11.684 1.00 0.00 C ATOM 695 ND1 HIS A 46 0.020 -1.970 -11.846 1.00 0.00 N ATOM 696 CD2 HIS A 46 2.069 -2.771 -11.819 1.00 0.00 C ATOM 697 CE1 HIS A 46 0.856 -0.967 -12.069 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.126 -1.465 -12.053 1.00 0.00 N ATOM 0 H HIS A 46 -0.708 -2.550 -10.067 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.351 -5.191 -10.084 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.866 -5.253 -11.590 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.683 -4.632 -12.124 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.916 -3.437 -11.748 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.581 0.064 -12.234 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.978 -0.924 -12.197 1.00 0.00 H new ATOM 706 N ASN A 47 1.327 -4.679 -8.337 1.00 0.00 N ATOM 707 CA ASN A 47 2.270 -5.296 -7.421 1.00 0.00 C ATOM 708 C ASN A 47 1.639 -5.385 -6.030 1.00 0.00 C ATOM 709 O ASN A 47 1.752 -6.409 -5.357 1.00 0.00 O ATOM 710 CB ASN A 47 3.551 -4.467 -7.307 1.00 0.00 C ATOM 711 CG ASN A 47 4.593 -4.924 -8.329 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.388 -5.858 -9.087 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.718 -4.216 -8.308 1.00 0.00 N ATOM 0 H ASN A 47 1.354 -3.660 -8.354 1.00 0.00 H new ATOM 0 HA ASN A 47 2.515 -6.286 -7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.321 -3.413 -7.463 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.959 -4.559 -6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.475 -4.443 -8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.824 -3.446 -7.647 1.00 0.00 H new ATOM 720 N GLN A 48 0.988 -4.299 -5.640 1.00 0.00 N ATOM 721 CA GLN A 48 0.339 -4.242 -4.341 1.00 0.00 C ATOM 722 C GLN A 48 -0.656 -5.395 -4.193 1.00 0.00 C ATOM 723 O GLN A 48 -1.440 -5.663 -5.102 1.00 0.00 O ATOM 724 CB GLN A 48 -0.352 -2.892 -4.133 1.00 0.00 C ATOM 725 CG GLN A 48 0.648 -1.740 -4.256 1.00 0.00 C ATOM 726 CD GLN A 48 0.136 -0.491 -3.536 1.00 0.00 C ATOM 727 OE1 GLN A 48 0.820 0.115 -2.727 1.00 0.00 O ATOM 728 NE2 GLN A 48 -1.102 -0.140 -3.874 1.00 0.00 N ATOM 0 H GLN A 48 0.896 -3.452 -6.200 1.00 0.00 H new ATOM 0 HA GLN A 48 1.103 -4.346 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.147 -2.769 -4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.822 -2.867 -3.150 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.607 -2.040 -3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.819 -1.513 -5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.620 -0.691 -4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.534 0.681 -3.449 1.00 0.00 H new ATOM 737 N THR A 49 -0.590 -6.046 -3.041 1.00 0.00 N ATOM 738 CA THR A 49 -1.475 -7.165 -2.763 1.00 0.00 C ATOM 739 C THR A 49 -2.055 -7.047 -1.352 1.00 0.00 C ATOM 740 O THR A 49 -1.397 -7.403 -0.375 1.00 0.00 O ATOM 741 CB THR A 49 -0.690 -8.457 -2.992 1.00 0.00 C ATOM 742 OG1 THR A 49 -0.796 -8.684 -4.394 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.371 -9.675 -2.365 1.00 0.00 C ATOM 0 H THR A 49 0.062 -5.820 -2.290 1.00 0.00 H new ATOM 0 HA THR A 49 -2.334 -7.167 -3.434 1.00 0.00 H new ATOM 0 HB THR A 49 0.313 -8.350 -2.579 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.313 -9.503 -4.630 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.772 -10.565 -2.557 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.465 -9.526 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.362 -9.803 -2.801 1.00 0.00 H new ATOM 751 N LEU A 50 -3.280 -6.547 -1.290 1.00 0.00 N ATOM 752 CA LEU A 50 -3.956 -6.379 -0.014 1.00 0.00 C ATOM 753 C LEU A 50 -4.659 -7.685 0.362 1.00 0.00 C ATOM 754 O LEU A 50 -5.286 -8.322 -0.482 1.00 0.00 O ATOM 755 CB LEU A 50 -4.891 -5.169 -0.059 1.00 0.00 C ATOM 756 CG LEU A 50 -4.214 -3.803 -0.197 1.00 0.00 C ATOM 757 CD1 LEU A 50 -5.134 -2.683 0.293 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.861 -3.787 0.517 1.00 0.00 C ATOM 0 H LEU A 50 -3.822 -6.253 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.234 -6.167 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.579 -5.297 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.491 -5.165 0.851 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.022 -3.622 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.629 -1.723 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.050 -2.680 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.379 -2.847 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.401 -2.805 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.006 -4.000 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.210 -4.545 0.081 1.00 0.00 H new ATOM 770 N SER A 51 -4.530 -8.045 1.631 1.00 0.00 N ATOM 771 CA SER A 51 -5.144 -9.263 2.129 1.00 0.00 C ATOM 772 C SER A 51 -5.236 -9.217 3.656 1.00 0.00 C ATOM 773 O SER A 51 -4.410 -8.583 4.312 1.00 0.00 O ATOM 774 CB SER A 51 -4.361 -10.498 1.682 1.00 0.00 C ATOM 775 OG SER A 51 -5.096 -11.701 1.888 1.00 0.00 O ATOM 0 H SER A 51 -4.009 -7.514 2.329 1.00 0.00 H new ATOM 0 HA SER A 51 -6.149 -9.333 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.108 -10.404 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.421 -10.549 2.231 1.00 0.00 H new ATOM 0 HG SER A 51 -4.540 -12.345 2.374 1.00 0.00 H new ATOM 781 N THR A 52 -6.247 -9.896 4.178 1.00 0.00 N ATOM 782 CA THR A 52 -6.456 -9.940 5.615 1.00 0.00 C ATOM 783 C THR A 52 -5.790 -11.180 6.213 1.00 0.00 C ATOM 784 O THR A 52 -6.293 -11.756 7.177 1.00 0.00 O ATOM 785 CB THR A 52 -7.963 -9.874 5.875 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.528 -10.690 4.853 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.543 -8.484 5.606 1.00 0.00 C ATOM 0 H THR A 52 -6.930 -10.420 3.631 1.00 0.00 H new ATOM 0 HA THR A 52 -5.988 -9.089 6.109 1.00 0.00 H new ATOM 0 HB THR A 52 -8.166 -10.158 6.908 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.503 -10.705 4.948 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.615 -8.492 5.806 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.058 -7.755 6.256 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.370 -8.213 4.565 1.00 0.00 H new ATOM 795 N ASN A 53 -4.668 -11.555 5.617 1.00 0.00 N ATOM 796 CA ASN A 53 -3.927 -12.717 6.079 1.00 0.00 C ATOM 797 C ASN A 53 -2.459 -12.335 6.276 1.00 0.00 C ATOM 798 O ASN A 53 -1.867 -11.672 5.426 1.00 0.00 O ATOM 799 CB ASN A 53 -3.987 -13.851 5.055 1.00 0.00 C ATOM 800 CG ASN A 53 -3.781 -15.210 5.728 1.00 0.00 C ATOM 801 OD1 ASN A 53 -2.913 -15.390 6.567 1.00 0.00 O ATOM 802 ND2 ASN A 53 -4.624 -16.152 5.316 1.00 0.00 N ATOM 0 H ASN A 53 -4.254 -11.075 4.818 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.374 -13.052 7.015 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.951 -13.836 4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.222 -13.699 4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.567 -17.093 5.706 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.327 -15.934 4.610 1.00 0.00 H new ATOM 809 N ARG A 54 -1.913 -12.769 7.403 1.00 0.00 N ATOM 810 CA ARG A 54 -0.525 -12.481 7.722 1.00 0.00 C ATOM 811 C ARG A 54 0.405 -13.382 6.907 1.00 0.00 C ATOM 812 O ARG A 54 1.616 -13.170 6.883 1.00 0.00 O ATOM 813 CB ARG A 54 -0.248 -12.689 9.212 1.00 0.00 C ATOM 814 CG ARG A 54 -0.304 -14.174 9.578 1.00 0.00 C ATOM 815 CD ARG A 54 -1.450 -14.457 10.551 1.00 0.00 C ATOM 816 NE ARG A 54 -2.232 -15.624 10.085 1.00 0.00 N ATOM 817 CZ ARG A 54 -3.127 -16.278 10.839 1.00 0.00 C ATOM 818 NH1 ARG A 54 -3.357 -15.883 12.099 1.00 0.00 N ATOM 819 NH2 ARG A 54 -3.790 -17.326 10.334 1.00 0.00 N ATOM 0 H ARG A 54 -2.407 -13.318 8.106 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.337 -11.437 7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.733 -12.286 9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.980 -12.137 9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.434 -14.770 8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.642 -14.477 10.027 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.053 -14.649 11.548 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.097 -13.583 10.629 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.081 -15.951 9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.851 -15.085 12.484 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.038 -16.380 12.673 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.614 -17.627 9.375 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.471 -17.823 10.908 1.00 0.00 H new ATOM 833 N ASN A 55 -0.197 -14.368 6.258 1.00 0.00 N ATOM 834 CA ASN A 55 0.562 -15.302 5.444 1.00 0.00 C ATOM 835 C ASN A 55 0.956 -14.623 4.131 1.00 0.00 C ATOM 836 O ASN A 55 1.794 -15.135 3.390 1.00 0.00 O ATOM 837 CB ASN A 55 -0.270 -16.540 5.105 1.00 0.00 C ATOM 838 CG ASN A 55 -0.351 -17.490 6.302 1.00 0.00 C ATOM 839 OD1 ASN A 55 0.373 -17.367 7.276 1.00 0.00 O ATOM 840 ND2 ASN A 55 -1.271 -18.442 6.175 1.00 0.00 N ATOM 0 H ASN A 55 -1.202 -14.540 6.279 1.00 0.00 H new ATOM 0 HA ASN A 55 1.443 -15.604 6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.274 -16.238 4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.172 -17.058 4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.403 -19.126 6.920 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.844 -18.488 5.333 1.00 0.00 H new ATOM 847 N LEU A 56 0.332 -13.481 3.882 1.00 0.00 N ATOM 848 CA LEU A 56 0.607 -12.727 2.670 1.00 0.00 C ATOM 849 C LEU A 56 2.098 -12.386 2.614 1.00 0.00 C ATOM 850 O LEU A 56 2.722 -12.490 1.559 1.00 0.00 O ATOM 851 CB LEU A 56 -0.307 -11.503 2.582 1.00 0.00 C ATOM 852 CG LEU A 56 -0.500 -10.909 1.185 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.327 -11.845 0.301 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.109 -9.508 1.264 1.00 0.00 C ATOM 0 H LEU A 56 -0.363 -13.059 4.498 1.00 0.00 H new ATOM 0 HA LEU A 56 0.383 -13.328 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.285 -11.776 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.095 -10.727 3.233 1.00 0.00 H new ATOM 0 HG LEU A 56 0.480 -10.808 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.449 -11.399 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.815 -12.802 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.307 -12.001 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.236 -9.109 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.079 -9.560 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.447 -8.855 1.833 1.00 0.00 H new ATOM 866 N LEU A 57 2.624 -11.986 3.762 1.00 0.00 N ATOM 867 CA LEU A 57 4.030 -11.629 3.856 1.00 0.00 C ATOM 868 C LEU A 57 4.885 -12.837 3.469 1.00 0.00 C ATOM 869 O LEU A 57 5.987 -12.680 2.946 1.00 0.00 O ATOM 870 CB LEU A 57 4.348 -11.070 5.244 1.00 0.00 C ATOM 871 CG LEU A 57 3.880 -9.639 5.515 1.00 0.00 C ATOM 872 CD1 LEU A 57 2.354 -9.542 5.463 1.00 0.00 C ATOM 873 CD2 LEU A 57 4.443 -9.118 6.839 1.00 0.00 C ATOM 0 H LEU A 57 2.103 -11.901 4.635 1.00 0.00 H new ATOM 0 HA LEU A 57 4.269 -10.831 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.898 -11.725 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.427 -11.112 5.392 1.00 0.00 H new ATOM 0 HG LEU A 57 4.271 -8.997 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.048 -8.514 5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.004 -9.843 4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.922 -10.200 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.095 -8.099 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.104 -9.756 7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.532 -9.127 6.800 1.00 0.00 H new ATOM 885 N LEU A 58 4.345 -14.016 3.741 1.00 0.00 N ATOM 886 CA LEU A 58 5.045 -15.250 3.427 1.00 0.00 C ATOM 887 C LEU A 58 5.181 -15.383 1.909 1.00 0.00 C ATOM 888 O LEU A 58 6.272 -15.629 1.399 1.00 0.00 O ATOM 889 CB LEU A 58 4.352 -16.443 4.089 1.00 0.00 C ATOM 890 CG LEU A 58 4.080 -16.313 5.589 1.00 0.00 C ATOM 891 CD1 LEU A 58 3.393 -17.567 6.133 1.00 0.00 C ATOM 892 CD2 LEU A 58 5.365 -15.986 6.352 1.00 0.00 C ATOM 0 H LEU A 58 3.431 -14.143 4.175 1.00 0.00 H new ATOM 0 HA LEU A 58 6.055 -15.229 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.403 -16.614 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.965 -17.330 3.927 1.00 0.00 H new ATOM 0 HG LEU A 58 3.394 -15.480 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.211 -17.448 7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.444 -17.714 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.034 -18.433 5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.144 -15.899 7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.093 -16.782 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.774 -15.044 5.988 1.00 0.00 H new ATOM 904 N ALA A 59 4.056 -15.213 1.229 1.00 0.00 N ATOM 905 CA ALA A 59 4.035 -15.311 -0.220 1.00 0.00 C ATOM 906 C ALA A 59 5.229 -14.546 -0.796 1.00 0.00 C ATOM 907 O ALA A 59 5.373 -13.347 -0.564 1.00 0.00 O ATOM 908 CB ALA A 59 2.698 -14.787 -0.749 1.00 0.00 C ATOM 0 H ALA A 59 3.152 -15.008 1.656 1.00 0.00 H new ATOM 0 HA ALA A 59 4.125 -16.351 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.683 -14.861 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.884 -15.381 -0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.573 -13.745 -0.454 1.00 0.00 H new ATOM 914 N LYS A 60 6.055 -15.272 -1.535 1.00 0.00 N ATOM 915 CA LYS A 60 7.232 -14.677 -2.145 1.00 0.00 C ATOM 916 C LYS A 60 7.043 -14.623 -3.662 1.00 0.00 C ATOM 917 O LYS A 60 7.591 -13.747 -4.329 1.00 0.00 O ATOM 918 CB LYS A 60 8.496 -15.421 -1.709 1.00 0.00 C ATOM 919 CG LYS A 60 9.084 -14.805 -0.438 1.00 0.00 C ATOM 920 CD LYS A 60 10.548 -15.213 -0.258 1.00 0.00 C ATOM 921 CE LYS A 60 10.980 -15.075 1.203 1.00 0.00 C ATOM 922 NZ LYS A 60 11.667 -16.304 1.659 1.00 0.00 N ATOM 0 H LYS A 60 5.933 -16.267 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 60 7.360 -13.650 -1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.262 -16.471 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.236 -15.388 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.009 -13.719 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.504 -15.125 0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.685 -16.244 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.183 -14.591 -0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.645 -14.218 1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.109 -14.885 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.953 -16.193 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.021 -17.115 1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.510 -16.469 1.072 1.00 0.00 H new ATOM 936 N SER A 61 6.264 -15.571 -4.163 1.00 0.00 N ATOM 937 CA SER A 61 5.996 -15.642 -5.590 1.00 0.00 C ATOM 938 C SER A 61 4.667 -14.952 -5.907 1.00 0.00 C ATOM 939 O SER A 61 3.915 -14.600 -5.000 1.00 0.00 O ATOM 940 CB SER A 61 5.969 -17.094 -6.073 1.00 0.00 C ATOM 941 OG SER A 61 4.655 -17.511 -6.435 1.00 0.00 O ATOM 0 H SER A 61 5.810 -16.296 -3.607 1.00 0.00 H new ATOM 0 HA SER A 61 6.800 -15.127 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.633 -17.204 -6.930 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.353 -17.745 -5.287 1.00 0.00 H new ATOM 0 HG SER A 61 4.680 -18.442 -6.739 1.00 0.00 H new ATOM 947 N PRO A 62 4.414 -14.775 -7.231 1.00 0.00 N ATOM 948 CA PRO A 62 3.190 -14.134 -7.680 1.00 0.00 C ATOM 949 C PRO A 62 1.993 -15.078 -7.541 1.00 0.00 C ATOM 950 O PRO A 62 0.909 -14.657 -7.141 1.00 0.00 O ATOM 951 CB PRO A 62 3.462 -13.728 -9.119 1.00 0.00 C ATOM 952 CG PRO A 62 4.649 -14.564 -9.570 1.00 0.00 C ATOM 953 CD PRO A 62 5.282 -15.180 -8.333 1.00 0.00 C ATOM 0 HA PRO A 62 2.927 -13.264 -7.078 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.592 -13.914 -9.748 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.685 -12.663 -9.189 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.327 -15.342 -10.262 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.372 -13.945 -10.101 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.337 -16.265 -8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.300 -14.819 -8.188 1.00 0.00 H new ATOM 961 N SER A 63 2.231 -16.336 -7.881 1.00 0.00 N ATOM 962 CA SER A 63 1.187 -17.343 -7.799 1.00 0.00 C ATOM 963 C SER A 63 0.728 -17.506 -6.349 1.00 0.00 C ATOM 964 O SER A 63 -0.437 -17.803 -6.092 1.00 0.00 O ATOM 965 CB SER A 63 1.670 -18.684 -8.356 1.00 0.00 C ATOM 966 OG SER A 63 1.101 -18.968 -9.632 1.00 0.00 O ATOM 0 H SER A 63 3.131 -16.681 -8.214 1.00 0.00 H new ATOM 0 HA SER A 63 0.344 -17.010 -8.405 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.757 -18.672 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.412 -19.481 -7.658 1.00 0.00 H new ATOM 0 HG SER A 63 1.435 -19.831 -9.954 1.00 0.00 H new ATOM 972 N ASP A 64 1.669 -17.303 -5.438 1.00 0.00 N ATOM 973 CA ASP A 64 1.376 -17.423 -4.020 1.00 0.00 C ATOM 974 C ASP A 64 0.344 -16.365 -3.625 1.00 0.00 C ATOM 975 O ASP A 64 -0.643 -16.673 -2.959 1.00 0.00 O ATOM 976 CB ASP A 64 2.632 -17.195 -3.177 1.00 0.00 C ATOM 977 CG ASP A 64 2.859 -18.222 -2.065 1.00 0.00 C ATOM 978 OD1 ASP A 64 3.303 -19.339 -2.406 1.00 0.00 O ATOM 979 OD2 ASP A 64 2.584 -17.865 -0.899 1.00 0.00 O ATOM 0 H ASP A 64 2.635 -17.056 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 64 0.997 -18.429 -3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.500 -17.198 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.576 -16.203 -2.729 1.00 0.00 H new ATOM 984 N PHE A 65 0.607 -15.139 -4.053 1.00 0.00 N ATOM 985 CA PHE A 65 -0.286 -14.033 -3.753 1.00 0.00 C ATOM 986 C PHE A 65 -1.666 -14.258 -4.375 1.00 0.00 C ATOM 987 O PHE A 65 -2.661 -13.712 -3.903 1.00 0.00 O ATOM 988 CB PHE A 65 0.336 -12.776 -4.364 1.00 0.00 C ATOM 989 CG PHE A 65 1.614 -12.311 -3.662 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.621 -12.126 -2.315 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.742 -12.081 -4.386 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.806 -11.694 -1.663 1.00 0.00 C ATOM 993 CE2 PHE A 65 3.928 -11.649 -3.735 1.00 0.00 C ATOM 994 CZ PHE A 65 3.935 -11.465 -2.387 1.00 0.00 C ATOM 0 H PHE A 65 1.427 -14.887 -4.606 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.413 -13.941 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.559 -12.967 -5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.397 -11.969 -4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.725 -12.308 -1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.736 -12.227 -5.456 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.811 -11.547 -0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.824 -11.467 -4.310 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.837 -11.137 -1.892 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.681 -15.065 -5.427 1.00 0.00 N ATOM 1005 CA LEU A 66 -2.922 -15.369 -6.119 1.00 0.00 C ATOM 1006 C LEU A 66 -3.818 -16.207 -5.205 1.00 0.00 C ATOM 1007 O LEU A 66 -4.994 -16.411 -5.500 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.634 -16.028 -7.469 1.00 0.00 C ATOM 1009 CG LEU A 66 -1.941 -15.147 -8.511 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.403 -15.988 -9.670 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.873 -14.034 -8.995 1.00 0.00 C ATOM 0 H LEU A 66 -0.854 -15.517 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.466 -14.452 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.015 -16.908 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.577 -16.379 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.085 -14.667 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.915 -15.337 -10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.682 -16.712 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.227 -16.515 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.356 -13.423 -9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.762 -14.474 -9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.165 -13.411 -8.150 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.227 -16.670 -4.113 1.00 0.00 N ATOM 1024 CA ALA A 67 -3.958 -17.482 -3.154 1.00 0.00 C ATOM 1025 C ALA A 67 -4.889 -16.583 -2.337 1.00 0.00 C ATOM 1026 O ALA A 67 -5.939 -17.027 -1.876 1.00 0.00 O ATOM 1027 CB ALA A 67 -2.968 -18.248 -2.274 1.00 0.00 C ATOM 0 H ALA A 67 -2.251 -16.499 -3.871 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.576 -18.219 -3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.516 -18.857 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.349 -18.893 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.332 -17.541 -1.741 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.469 -15.336 -2.182 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.253 -14.371 -1.429 1.00 0.00 C ATOM 1035 C PHE A 68 -6.047 -13.459 -2.365 1.00 0.00 C ATOM 1036 O PHE A 68 -5.485 -12.556 -2.983 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.265 -13.522 -0.626 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.270 -14.340 0.201 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -2.117 -14.784 -0.367 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -3.539 -14.621 1.504 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -1.194 -15.543 0.401 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -2.616 -15.380 2.271 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.463 -15.825 1.704 1.00 0.00 C ATOM 0 H PHE A 68 -3.597 -14.972 -2.565 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.962 -14.890 -0.784 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.711 -12.881 -1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.824 -12.866 0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.903 -14.560 -1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.454 -14.267 1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.278 -15.896 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.830 -15.604 3.306 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.761 -16.402 2.288 1.00 0.00 H new ATOM 1053 N THR A 69 -7.343 -13.727 -2.441 1.00 0.00 N ATOM 1054 CA THR A 69 -8.220 -12.941 -3.292 1.00 0.00 C ATOM 1055 C THR A 69 -9.402 -12.401 -2.485 1.00 0.00 C ATOM 1056 O THR A 69 -10.555 -12.556 -2.885 1.00 0.00 O ATOM 1057 CB THR A 69 -8.642 -13.817 -4.474 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.303 -14.925 -3.867 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.446 -14.446 -5.193 1.00 0.00 C ATOM 0 H THR A 69 -7.806 -14.477 -1.928 1.00 0.00 H new ATOM 0 HA THR A 69 -7.707 -12.064 -3.685 1.00 0.00 H new ATOM 0 HB THR A 69 -9.218 -13.220 -5.181 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.611 -15.543 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.801 -15.057 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.795 -13.659 -5.574 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.889 -15.071 -4.495 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.075 -11.777 -1.363 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.095 -11.213 -0.495 1.00 0.00 C ATOM 1069 C ASP A 70 -10.257 -9.724 -0.808 1.00 0.00 C ATOM 1070 O ASP A 70 -11.354 -9.179 -0.698 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.702 -11.347 0.977 1.00 0.00 C ATOM 1072 CG ASP A 70 -9.038 -12.673 1.351 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -8.130 -13.086 0.597 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -9.453 -13.245 2.382 1.00 0.00 O ATOM 0 H ASP A 70 -8.118 -11.649 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.024 -11.755 -0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.023 -10.533 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.595 -11.220 1.589 1.00 0.00 H new ATOM 1079 N MET A 71 -9.148 -9.108 -1.191 1.00 0.00 N ATOM 1080 CA MET A 71 -9.153 -7.693 -1.520 1.00 0.00 C ATOM 1081 C MET A 71 -8.636 -7.458 -2.941 1.00 0.00 C ATOM 1082 O MET A 71 -8.025 -6.428 -3.220 1.00 0.00 O ATOM 1083 CB MET A 71 -8.274 -6.934 -0.524 1.00 0.00 C ATOM 1084 CG MET A 71 -8.931 -6.877 0.856 1.00 0.00 C ATOM 1085 SD MET A 71 -9.635 -5.260 1.131 1.00 0.00 S ATOM 1086 CE MET A 71 -8.156 -4.264 1.070 1.00 0.00 C ATOM 0 H MET A 71 -8.240 -9.563 -1.281 1.00 0.00 H new ATOM 0 HA MET A 71 -10.179 -7.330 -1.463 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.302 -7.421 -0.448 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.096 -5.922 -0.888 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.708 -7.638 0.930 1.00 0.00 H new ATOM 0 HG3 MET A 71 -8.194 -7.098 1.628 1.00 0.00 H new ATOM 0 HE1 MET A 71 -8.190 -3.513 1.860 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.283 -4.901 1.212 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.091 -3.769 0.101 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.900 -8.431 -3.800 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.469 -8.344 -5.185 1.00 0.00 C ATOM 1098 C ALA A 72 -9.460 -7.481 -5.970 1.00 0.00 C ATOM 1099 O ALA A 72 -9.066 -6.740 -6.870 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.333 -9.752 -5.768 1.00 0.00 C ATOM 0 H ALA A 72 -9.407 -9.284 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.491 -7.868 -5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.010 -9.686 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.596 -10.314 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.296 -10.261 -5.719 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.726 -7.606 -5.600 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.776 -6.847 -6.258 1.00 0.00 C ATOM 1108 C ASP A 73 -11.591 -5.359 -5.953 1.00 0.00 C ATOM 1109 O ASP A 73 -11.634 -4.950 -4.794 1.00 0.00 O ATOM 1110 CB ASP A 73 -13.158 -7.266 -5.752 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.330 -6.490 -6.356 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -14.076 -5.740 -7.323 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.454 -6.664 -5.837 1.00 0.00 O ATOM 0 H ASP A 73 -11.048 -8.221 -4.853 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.711 -7.039 -7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.298 -8.327 -5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.183 -7.148 -4.669 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.385 -4.571 -7.042 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.194 -3.137 -6.902 1.00 0.00 C ATOM 1120 C PRO A 74 -12.519 -2.434 -6.601 1.00 0.00 C ATOM 1121 O PRO A 74 -12.530 -1.299 -6.127 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.571 -2.694 -8.216 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.863 -3.804 -9.212 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.328 -5.021 -8.429 1.00 0.00 C ATOM 0 HA PRO A 74 -10.548 -2.878 -6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.996 -1.748 -8.550 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.497 -2.540 -8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.630 -3.490 -9.920 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.971 -4.041 -9.792 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.303 -5.365 -8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.636 -5.855 -8.546 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.604 -3.137 -6.890 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.931 -2.595 -6.657 1.00 0.00 C ATOM 1134 C ASN A 75 -15.408 -3.007 -5.263 1.00 0.00 C ATOM 1135 O ASN A 75 -16.520 -2.670 -4.858 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.935 -3.134 -7.678 1.00 0.00 C ATOM 1137 CG ASN A 75 -16.091 -2.169 -8.855 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -16.576 -1.058 -8.720 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.654 -2.655 -10.014 1.00 0.00 N ATOM 0 H ASN A 75 -13.591 -4.078 -7.284 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.872 -1.510 -6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.603 -4.106 -8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.901 -3.287 -7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.714 -2.088 -10.860 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -15.259 -3.594 -10.057 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.544 -3.731 -4.567 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.863 -4.193 -3.226 1.00 0.00 C ATOM 1148 C LEU A 76 -14.549 -3.084 -2.221 1.00 0.00 C ATOM 1149 O LEU A 76 -13.580 -2.344 -2.390 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.147 -5.513 -2.930 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.180 -5.981 -1.474 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -15.013 -7.255 -1.326 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.763 -6.156 -0.922 1.00 0.00 C ATOM 0 H LEU A 76 -13.623 -4.009 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.928 -4.408 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.590 -6.291 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.105 -5.415 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.665 -5.208 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.020 -7.566 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.034 -7.062 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.579 -8.046 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.815 -6.489 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.230 -6.899 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.233 -5.205 -0.971 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.385 -3.003 -1.197 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.209 -1.996 -0.164 1.00 0.00 C ATOM 1167 C ARG A 77 -14.541 -2.611 1.068 1.00 0.00 C ATOM 1168 O ARG A 77 -14.710 -3.798 1.343 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.550 -1.384 0.244 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.119 -0.513 -0.878 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.623 -0.299 -0.697 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.058 0.900 -1.448 1.00 0.00 N ATOM 1173 CZ ARG A 77 -19.156 0.955 -2.784 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -18.850 -0.121 -3.522 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -19.559 2.085 -3.380 1.00 0.00 N ATOM 0 H ARG A 77 -16.187 -3.619 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.574 -1.210 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.257 -2.177 0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.421 -0.784 1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.610 0.451 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.929 -0.985 -1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.168 -1.175 -1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.857 -0.180 0.361 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.298 1.736 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.543 -0.981 -3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -18.924 -0.080 -4.538 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.791 2.903 -2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.634 2.127 -4.396 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.796 -1.775 1.777 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.102 -2.221 2.973 1.00 0.00 C ATOM 1191 C ILE A 78 -14.129 -2.632 4.030 1.00 0.00 C ATOM 1192 O ILE A 78 -13.805 -3.362 4.965 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.119 -1.152 3.453 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -12.844 0.161 3.759 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -10.984 -0.958 2.445 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.017 1.037 4.701 1.00 0.00 C ATOM 0 H ILE A 78 -13.658 -0.791 1.546 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.497 -3.102 2.756 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.668 -1.496 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.036 0.699 2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.813 -0.051 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.299 -0.193 2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.445 -1.897 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.398 -0.646 1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.555 1.964 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.847 0.505 5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.059 1.267 4.236 1.00 0.00 H new ATOM 1208 N SER A 79 -15.347 -2.144 3.846 1.00 0.00 N ATOM 1209 CA SER A 79 -16.424 -2.451 4.772 1.00 0.00 C ATOM 1210 C SER A 79 -16.652 -3.963 4.827 1.00 0.00 C ATOM 1211 O SER A 79 -17.043 -4.498 5.864 1.00 0.00 O ATOM 1212 CB SER A 79 -17.715 -1.734 4.373 1.00 0.00 C ATOM 1213 OG SER A 79 -18.520 -1.413 5.505 1.00 0.00 O ATOM 0 H SER A 79 -15.612 -1.538 3.069 1.00 0.00 H new ATOM 0 HA SER A 79 -16.135 -2.097 5.762 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.470 -0.820 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.284 -2.365 3.691 1.00 0.00 H new ATOM 0 HG SER A 79 -19.334 -0.955 5.208 1.00 0.00 H new ATOM 1219 N SER A 80 -16.397 -4.609 3.699 1.00 0.00 N ATOM 1220 CA SER A 80 -16.569 -6.049 3.606 1.00 0.00 C ATOM 1221 C SER A 80 -15.862 -6.737 4.775 1.00 0.00 C ATOM 1222 O SER A 80 -16.350 -7.738 5.298 1.00 0.00 O ATOM 1223 CB SER A 80 -16.036 -6.583 2.275 1.00 0.00 C ATOM 1224 OG SER A 80 -16.372 -7.953 2.076 1.00 0.00 O ATOM 0 H SER A 80 -16.073 -4.162 2.842 1.00 0.00 H new ATOM 0 HA SER A 80 -17.635 -6.270 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.442 -5.988 1.457 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.953 -6.468 2.246 1.00 0.00 H new ATOM 0 HG SER A 80 -15.612 -8.421 1.672 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.724 -6.173 5.152 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.944 -6.720 6.250 1.00 0.00 C ATOM 1232 C LEU A 81 -14.213 -5.905 7.516 1.00 0.00 C ATOM 1233 O LEU A 81 -13.952 -6.369 8.625 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.464 -6.797 5.870 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.156 -6.811 4.372 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.661 -6.609 4.118 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.681 -8.090 3.716 1.00 0.00 C ATOM 0 H LEU A 81 -14.323 -5.342 4.717 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.248 -7.745 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.950 -5.947 6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.041 -7.697 6.316 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.678 -5.974 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.469 -6.623 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.348 -5.650 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.099 -7.410 4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.449 -8.074 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.208 -8.956 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.761 -8.151 3.851 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.732 -4.703 7.309 1.00 0.00 N ATOM 1250 CA ASN A 82 -15.039 -3.819 8.420 1.00 0.00 C ATOM 1251 C ASN A 82 -13.741 -3.209 8.954 1.00 0.00 C ATOM 1252 O ASN A 82 -13.503 -3.207 10.161 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.708 -4.583 9.564 1.00 0.00 C ATOM 1254 CG ASN A 82 -16.779 -3.727 10.243 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.880 -3.556 9.747 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -16.395 -3.201 11.402 1.00 0.00 N ATOM 0 H ASN A 82 -14.947 -4.321 6.388 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.717 -3.046 8.058 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.158 -5.498 9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.957 -4.880 10.296 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.038 -2.614 11.933 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.458 -3.385 11.760 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.936 -2.707 8.030 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.669 -2.096 8.393 1.00 0.00 C ATOM 1265 C LEU A 83 -11.921 -0.678 8.911 1.00 0.00 C ATOM 1266 O LEU A 83 -12.440 0.168 8.185 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.689 -2.157 7.220 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.413 -3.549 6.648 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.667 -3.456 5.316 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -9.669 -4.420 7.662 1.00 0.00 C ATOM 0 H LEU A 83 -13.137 -2.711 7.030 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.196 -2.652 9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.073 -1.526 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.742 -1.723 7.541 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.369 -4.032 6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.483 -4.459 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.269 -2.897 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.716 -2.945 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.485 -5.404 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.718 -3.951 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.273 -4.526 8.563 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.542 -0.463 10.162 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.720 0.837 10.785 1.00 0.00 C ATOM 1284 C ALA A 84 -10.374 1.332 11.317 1.00 0.00 C ATOM 1285 O ALA A 84 -9.406 0.574 11.369 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.780 0.736 11.884 1.00 0.00 C ATOM 0 H ALA A 84 -11.112 -1.168 10.761 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.074 1.566 10.056 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.914 1.712 12.351 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.725 0.410 11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.458 0.015 12.635 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.354 2.601 11.699 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.143 3.205 12.225 1.00 0.00 C ATOM 1294 C HIS A 85 -8.577 2.330 13.345 1.00 0.00 C ATOM 1295 O HIS A 85 -9.139 2.272 14.438 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.404 4.645 12.673 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.150 5.444 12.934 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -7.969 6.732 12.459 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.018 5.126 13.625 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -6.778 7.159 12.851 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.190 6.162 13.573 1.00 0.00 N ATOM 0 H HIS A 85 -11.158 3.227 11.654 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.390 3.261 11.439 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.993 5.152 11.908 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.007 4.629 13.581 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.639 7.262 11.902 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.828 4.190 14.129 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.348 8.126 12.637 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.470 1.670 13.035 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.822 0.800 14.001 1.00 0.00 C ATOM 1311 C GLY A 86 -6.738 -0.635 13.478 1.00 0.00 C ATOM 1312 O GLY A 86 -5.812 -1.370 13.817 1.00 0.00 O ATOM 0 H GLY A 86 -7.006 1.721 12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.820 1.172 14.216 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.376 0.817 14.940 1.00 0.00 H new ATOM 1316 N SER A 87 -7.719 -0.991 12.661 1.00 0.00 N ATOM 1317 CA SER A 87 -7.767 -2.325 12.087 1.00 0.00 C ATOM 1318 C SER A 87 -6.383 -2.724 11.571 1.00 0.00 C ATOM 1319 O SER A 87 -5.489 -1.885 11.469 1.00 0.00 O ATOM 1320 CB SER A 87 -8.797 -2.402 10.958 1.00 0.00 C ATOM 1321 OG SER A 87 -10.110 -2.081 11.410 1.00 0.00 O ATOM 0 H SER A 87 -8.486 -0.379 12.383 1.00 0.00 H new ATOM 0 HA SER A 87 -8.071 -3.022 12.868 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.511 -1.718 10.159 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.795 -3.406 10.533 1.00 0.00 H new ATOM 0 HG SER A 87 -10.664 -2.889 11.405 1.00 0.00 H new ATOM 1327 N MET A 88 -6.250 -4.005 11.259 1.00 0.00 N ATOM 1328 CA MET A 88 -4.990 -4.525 10.756 1.00 0.00 C ATOM 1329 C MET A 88 -5.122 -4.967 9.297 1.00 0.00 C ATOM 1330 O MET A 88 -6.173 -5.456 8.886 1.00 0.00 O ATOM 1331 CB MET A 88 -4.550 -5.714 11.612 1.00 0.00 C ATOM 1332 CG MET A 88 -3.178 -6.228 11.172 1.00 0.00 C ATOM 1333 SD MET A 88 -1.890 -5.367 12.059 1.00 0.00 S ATOM 1334 CE MET A 88 -0.908 -4.782 10.689 1.00 0.00 C ATOM 0 H MET A 88 -6.994 -4.698 11.345 1.00 0.00 H new ATOM 0 HA MET A 88 -4.244 -3.732 10.809 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.512 -5.418 12.660 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.285 -6.515 11.533 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.105 -7.300 11.358 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.053 -6.081 10.099 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.144 -4.992 10.880 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.219 -5.289 9.776 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.049 -3.707 10.573 1.00 0.00 H new ATOM 1344 N VAL A 89 -4.041 -4.778 8.554 1.00 0.00 N ATOM 1345 CA VAL A 89 -4.023 -5.151 7.150 1.00 0.00 C ATOM 1346 C VAL A 89 -2.604 -5.564 6.755 1.00 0.00 C ATOM 1347 O VAL A 89 -1.636 -5.171 7.403 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.572 -4.005 6.297 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.608 -4.392 4.817 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -5.957 -3.573 6.785 1.00 0.00 C ATOM 0 H VAL A 89 -3.171 -4.371 8.898 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.672 -6.009 6.974 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.899 -3.155 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.002 -3.560 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.599 -4.628 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.248 -5.264 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.324 -2.758 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.645 -4.416 6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.890 -3.237 7.820 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.526 -6.351 5.692 1.00 0.00 N ATOM 1361 CA TYR A 90 -1.242 -6.822 5.202 1.00 0.00 C ATOM 1362 C TYR A 90 -1.057 -6.473 3.724 1.00 0.00 C ATOM 1363 O TYR A 90 -1.937 -6.738 2.905 1.00 0.00 O ATOM 1364 CB TYR A 90 -1.263 -8.344 5.356 1.00 0.00 C ATOM 1365 CG TYR A 90 -1.333 -8.821 6.808 1.00 0.00 C ATOM 1366 CD1 TYR A 90 -0.180 -8.902 7.563 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.547 -9.172 7.362 1.00 0.00 C ATOM 1368 CE1 TYR A 90 -0.245 -9.352 8.930 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.612 -9.621 8.728 1.00 0.00 C ATOM 1370 CZ TYR A 90 -1.458 -9.689 9.445 1.00 0.00 C ATOM 1371 OH TYR A 90 -1.519 -10.114 10.735 1.00 0.00 O ATOM 0 H TYR A 90 -3.332 -6.674 5.156 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.427 -6.357 5.756 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.119 -8.742 4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.369 -8.758 4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.770 -8.628 7.129 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.449 -9.110 6.771 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.649 -9.420 9.532 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.556 -9.898 9.174 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.448 -10.319 10.968 1.00 0.00 H new ATOM 1381 N LEU A 91 0.092 -5.884 3.426 1.00 0.00 N ATOM 1382 CA LEU A 91 0.403 -5.497 2.061 1.00 0.00 C ATOM 1383 C LEU A 91 1.428 -6.472 1.479 1.00 0.00 C ATOM 1384 O LEU A 91 2.150 -7.135 2.222 1.00 0.00 O ATOM 1385 CB LEU A 91 0.846 -4.033 2.007 1.00 0.00 C ATOM 1386 CG LEU A 91 1.482 -3.573 0.694 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.424 -3.405 -0.399 1.00 0.00 C ATOM 1388 CD2 LEU A 91 2.302 -2.298 0.899 1.00 0.00 C ATOM 0 H LEU A 91 0.819 -5.665 4.107 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.487 -5.560 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.021 -3.404 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.559 -3.860 2.813 1.00 0.00 H new ATOM 0 HG LEU A 91 2.171 -4.348 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.903 -3.077 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.078 -4.358 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.308 -2.660 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.743 -1.993 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.654 -1.504 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.094 -2.487 1.623 1.00 0.00 H new ATOM 1400 N ALA A 92 1.460 -6.528 0.156 1.00 0.00 N ATOM 1401 CA ALA A 92 2.385 -7.411 -0.534 1.00 0.00 C ATOM 1402 C ALA A 92 2.695 -6.837 -1.918 1.00 0.00 C ATOM 1403 O ALA A 92 1.794 -6.657 -2.735 1.00 0.00 O ATOM 1404 CB ALA A 92 1.790 -8.818 -0.606 1.00 0.00 C ATOM 0 H ALA A 92 0.860 -5.976 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 92 3.326 -7.483 0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.484 -9.480 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.616 -9.192 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.845 -8.786 -1.149 1.00 0.00 H new ATOM 1410 N TYR A 93 3.973 -6.566 -2.138 1.00 0.00 N ATOM 1411 CA TYR A 93 4.414 -6.016 -3.409 1.00 0.00 C ATOM 1412 C TYR A 93 5.745 -6.634 -3.842 1.00 0.00 C ATOM 1413 O TYR A 93 6.559 -7.014 -3.002 1.00 0.00 O ATOM 1414 CB TYR A 93 4.614 -4.518 -3.174 1.00 0.00 C ATOM 1415 CG TYR A 93 5.723 -4.187 -2.174 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.534 -4.430 -0.828 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.913 -3.647 -2.617 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.579 -4.119 0.113 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.958 -3.336 -1.675 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.739 -3.587 -0.357 1.00 0.00 C ATOM 1421 OH TYR A 93 8.725 -3.293 0.532 1.00 0.00 O ATOM 0 H TYR A 93 4.718 -6.717 -1.457 1.00 0.00 H new ATOM 0 HA TYR A 93 3.683 -6.223 -4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.843 -4.039 -4.126 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.678 -4.089 -2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.603 -4.853 -0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.061 -3.457 -3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.444 -4.304 1.168 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.894 -2.913 -2.008 1.00 0.00 H new ATOM 0 HH TYR A 93 9.496 -2.921 0.055 1.00 0.00 H new ATOM 1431 N GLU A 94 5.924 -6.716 -5.152 1.00 0.00 N ATOM 1432 CA GLU A 94 7.142 -7.281 -5.707 1.00 0.00 C ATOM 1433 C GLU A 94 8.127 -6.168 -6.069 1.00 0.00 C ATOM 1434 O GLU A 94 7.737 -5.151 -6.640 1.00 0.00 O ATOM 1435 CB GLU A 94 6.835 -8.159 -6.922 1.00 0.00 C ATOM 1436 CG GLU A 94 8.095 -8.400 -7.756 1.00 0.00 C ATOM 1437 CD GLU A 94 8.202 -9.868 -8.176 1.00 0.00 C ATOM 1438 OE1 GLU A 94 7.315 -10.305 -8.941 1.00 0.00 O ATOM 1439 OE2 GLU A 94 9.168 -10.519 -7.722 1.00 0.00 O ATOM 0 H GLU A 94 5.246 -6.401 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 94 7.603 -7.915 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.425 -9.113 -6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.073 -7.681 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.076 -7.765 -8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.976 -8.118 -7.180 1.00 0.00 H new ATOM 1446 N GLY A 95 9.385 -6.398 -5.722 1.00 0.00 N ATOM 1447 CA GLY A 95 10.429 -5.427 -6.003 1.00 0.00 C ATOM 1448 C GLY A 95 10.282 -4.191 -5.114 1.00 0.00 C ATOM 1449 O GLY A 95 9.220 -3.960 -4.537 1.00 0.00 O ATOM 0 H GLY A 95 9.705 -7.243 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.406 -5.882 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.384 -5.133 -7.052 1.00 0.00 H new ATOM 1453 N GLU A 96 11.362 -3.429 -5.032 1.00 0.00 N ATOM 1454 CA GLU A 96 11.367 -2.222 -4.223 1.00 0.00 C ATOM 1455 C GLU A 96 10.227 -1.294 -4.648 1.00 0.00 C ATOM 1456 O GLU A 96 9.431 -1.640 -5.519 1.00 0.00 O ATOM 1457 CB GLU A 96 12.717 -1.507 -4.311 1.00 0.00 C ATOM 1458 CG GLU A 96 12.951 -0.949 -5.716 1.00 0.00 C ATOM 1459 CD GLU A 96 13.579 0.445 -5.655 1.00 0.00 C ATOM 1460 OE1 GLU A 96 14.476 0.626 -4.804 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.147 1.298 -6.460 1.00 0.00 O ATOM 0 H GLU A 96 12.240 -3.624 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 96 11.211 -2.506 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.751 -0.696 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.517 -2.201 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.603 -1.621 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.005 -0.902 -6.255 1.00 0.00 H new ATOM 1468 N ARG A 97 10.184 -0.132 -4.011 1.00 0.00 N ATOM 1469 CA ARG A 97 9.154 0.848 -4.312 1.00 0.00 C ATOM 1470 C ARG A 97 9.565 1.696 -5.518 1.00 0.00 C ATOM 1471 O ARG A 97 10.720 1.664 -5.939 1.00 0.00 O ATOM 1472 CB ARG A 97 8.901 1.766 -3.115 1.00 0.00 C ATOM 1473 CG ARG A 97 8.599 0.952 -1.854 1.00 0.00 C ATOM 1474 CD ARG A 97 8.140 1.860 -0.712 1.00 0.00 C ATOM 1475 NE ARG A 97 9.148 1.860 0.371 1.00 0.00 N ATOM 1476 CZ ARG A 97 9.171 2.746 1.376 1.00 0.00 C ATOM 1477 NH1 ARG A 97 8.241 3.709 1.442 1.00 0.00 N ATOM 1478 NH2 ARG A 97 10.123 2.670 2.316 1.00 0.00 N ATOM 0 H ARG A 97 10.845 0.152 -3.288 1.00 0.00 H new ATOM 0 HA ARG A 97 8.236 0.306 -4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.774 2.397 -2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.065 2.431 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.826 0.214 -2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.489 0.402 -1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.991 2.875 -1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.180 1.516 -0.327 1.00 0.00 H new ATOM 0 HE ARG A 97 9.871 1.140 0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.516 3.767 0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.259 4.383 2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.831 1.937 2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.140 3.345 3.081 1.00 0.00 H new ATOM 1492 N THR A 98 8.596 2.434 -6.039 1.00 0.00 N ATOM 1493 CA THR A 98 8.842 3.289 -7.188 1.00 0.00 C ATOM 1494 C THR A 98 9.645 4.523 -6.772 1.00 0.00 C ATOM 1495 O THR A 98 10.202 4.566 -5.676 1.00 0.00 O ATOM 1496 CB THR A 98 7.492 3.628 -7.823 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.682 4.029 -6.723 1.00 0.00 O ATOM 1498 CG2 THR A 98 6.781 2.393 -8.380 1.00 0.00 C ATOM 0 H THR A 98 7.639 2.458 -5.687 1.00 0.00 H new ATOM 0 HA THR A 98 9.451 2.781 -7.936 1.00 0.00 H new ATOM 0 HB THR A 98 7.639 4.354 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.207 3.250 -6.366 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.828 2.689 -8.819 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.404 1.928 -9.144 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.603 1.681 -7.574 1.00 0.00 H new ATOM 1506 N ILE A 99 9.679 5.498 -7.669 1.00 0.00 N ATOM 1507 CA ILE A 99 10.404 6.730 -7.409 1.00 0.00 C ATOM 1508 C ILE A 99 9.413 7.827 -7.017 1.00 0.00 C ATOM 1509 O ILE A 99 8.356 7.962 -7.632 1.00 0.00 O ATOM 1510 CB ILE A 99 11.285 7.096 -8.605 1.00 0.00 C ATOM 1511 CG1 ILE A 99 12.320 6.002 -8.879 1.00 0.00 C ATOM 1512 CG2 ILE A 99 11.938 8.465 -8.407 1.00 0.00 C ATOM 1513 CD1 ILE A 99 12.560 5.838 -10.381 1.00 0.00 C ATOM 0 H ILE A 99 9.216 5.459 -8.577 1.00 0.00 H new ATOM 0 HA ILE A 99 11.086 6.600 -6.568 1.00 0.00 H new ATOM 0 HB ILE A 99 10.649 7.167 -9.488 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.258 6.251 -8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.977 5.058 -8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 99 12.559 8.701 -9.272 1.00 0.00 H new ATOM 0 HG22 ILE A 99 11.164 9.225 -8.298 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.557 8.446 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.299 5.055 -10.548 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.625 5.565 -10.871 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.926 6.777 -10.796 1.00 0.00 H new ATOM 1525 N ARG A 100 9.789 8.583 -5.996 1.00 0.00 N ATOM 1526 CA ARG A 100 8.946 9.664 -5.514 1.00 0.00 C ATOM 1527 C ARG A 100 8.505 10.552 -6.679 1.00 0.00 C ATOM 1528 O ARG A 100 9.110 10.523 -7.750 1.00 0.00 O ATOM 1529 CB ARG A 100 9.683 10.518 -4.481 1.00 0.00 C ATOM 1530 CG ARG A 100 9.241 10.162 -3.060 1.00 0.00 C ATOM 1531 CD ARG A 100 8.520 11.339 -2.399 1.00 0.00 C ATOM 1532 NE ARG A 100 8.074 10.959 -1.039 1.00 0.00 N ATOM 1533 CZ ARG A 100 7.548 11.817 -0.155 1.00 0.00 C ATOM 1534 NH1 ARG A 100 7.399 13.108 -0.481 1.00 0.00 N ATOM 1535 NH2 ARG A 100 7.170 11.384 1.056 1.00 0.00 N ATOM 0 H ARG A 100 10.667 8.468 -5.489 1.00 0.00 H new ATOM 0 HA ARG A 100 8.071 9.217 -5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.758 10.368 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.490 11.574 -4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.581 9.295 -3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.110 9.882 -2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 100 9.186 12.200 -2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.662 11.636 -3.002 1.00 0.00 H new ATOM 0 HE ARG A 100 8.173 9.984 -0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.686 13.438 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.998 13.761 0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.283 10.401 1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.769 12.037 1.729 1.00 0.00 H new ATOM 1549 N GLY A 101 7.455 11.321 -6.431 1.00 0.00 N ATOM 1550 CA GLY A 101 6.926 12.216 -7.447 1.00 0.00 C ATOM 1551 C GLY A 101 6.910 13.662 -6.948 1.00 0.00 C ATOM 1552 O GLY A 101 7.680 14.495 -7.424 1.00 0.00 O ATOM 0 H GLY A 101 6.956 11.343 -5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.532 12.146 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.915 11.909 -7.717 1.00 0.00 H new ATOM 1556 N SER A 102 6.025 13.916 -5.995 1.00 0.00 N ATOM 1557 CA SER A 102 5.898 15.247 -5.427 1.00 0.00 C ATOM 1558 C SER A 102 5.111 15.184 -4.117 1.00 0.00 C ATOM 1559 O SER A 102 4.345 14.248 -3.893 1.00 0.00 O ATOM 1560 CB SER A 102 5.218 16.203 -6.409 1.00 0.00 C ATOM 1561 OG SER A 102 5.267 17.555 -5.959 1.00 0.00 O ATOM 0 H SER A 102 5.389 13.222 -5.602 1.00 0.00 H new ATOM 0 HA SER A 102 6.899 15.629 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.702 16.127 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.179 15.904 -6.545 1.00 0.00 H new ATOM 0 HG SER A 102 4.824 18.134 -6.614 1.00 0.00 H new ATOM 1567 N GLY A 103 5.327 16.192 -3.284 1.00 0.00 N ATOM 1568 CA GLY A 103 4.647 16.263 -2.002 1.00 0.00 C ATOM 1569 C GLY A 103 5.051 17.525 -1.236 1.00 0.00 C ATOM 1570 O GLY A 103 5.199 18.593 -1.827 1.00 0.00 O ATOM 0 H GLY A 103 5.964 16.966 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.568 16.258 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.888 15.381 -1.409 1.00 0.00 H new ATOM 1574 N PRO A 104 5.223 17.354 0.102 1.00 0.00 N ATOM 1575 CA PRO A 104 5.607 18.467 0.955 1.00 0.00 C ATOM 1576 C PRO A 104 7.086 18.811 0.774 1.00 0.00 C ATOM 1577 O PRO A 104 7.955 18.159 1.352 1.00 0.00 O ATOM 1578 CB PRO A 104 5.271 18.014 2.366 1.00 0.00 C ATOM 1579 CG PRO A 104 5.147 16.501 2.301 1.00 0.00 C ATOM 1580 CD PRO A 104 5.057 16.103 0.836 1.00 0.00 C ATOM 0 HA PRO A 104 5.078 19.388 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.050 18.312 3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 104 4.342 18.467 2.711 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.007 16.027 2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.262 16.167 2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.832 15.383 0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 104 4.098 15.636 0.611 1.00 0.00 H new ATOM 1588 N SER A 105 7.328 19.835 -0.031 1.00 0.00 N ATOM 1589 CA SER A 105 8.688 20.274 -0.296 1.00 0.00 C ATOM 1590 C SER A 105 9.255 20.991 0.932 1.00 0.00 C ATOM 1591 O SER A 105 9.170 22.214 1.035 1.00 0.00 O ATOM 1592 CB SER A 105 8.742 21.192 -1.518 1.00 0.00 C ATOM 1593 OG SER A 105 9.370 20.562 -2.632 1.00 0.00 O ATOM 0 H SER A 105 6.605 20.374 -0.509 1.00 0.00 H new ATOM 0 HA SER A 105 9.296 19.395 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.730 21.490 -1.793 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.284 22.103 -1.264 1.00 0.00 H new ATOM 0 HG SER A 105 9.383 21.180 -3.393 1.00 0.00 H new ATOM 1599 N SER A 106 9.819 20.199 1.831 1.00 0.00 N ATOM 1600 CA SER A 106 10.399 20.742 3.047 1.00 0.00 C ATOM 1601 C SER A 106 11.918 20.854 2.898 1.00 0.00 C ATOM 1602 O SER A 106 12.639 19.879 3.108 1.00 0.00 O ATOM 1603 CB SER A 106 10.047 19.878 4.260 1.00 0.00 C ATOM 1604 OG SER A 106 8.802 20.255 4.840 1.00 0.00 O ATOM 0 H SER A 106 9.887 19.185 1.742 1.00 0.00 H new ATOM 0 HA SER A 106 9.982 21.736 3.210 1.00 0.00 H new ATOM 0 HB2 SER A 106 10.005 18.831 3.959 1.00 0.00 H new ATOM 0 HB3 SER A 106 10.836 19.964 5.007 1.00 0.00 H new ATOM 0 HG SER A 106 8.612 19.679 5.610 1.00 0.00 H new ATOM 1610 N GLY A 107 12.359 22.050 2.537 1.00 0.00 N ATOM 1611 CA GLY A 107 13.779 22.301 2.358 1.00 0.00 C ATOM 1612 C GLY A 107 14.342 21.465 1.207 1.00 0.00 C ATOM 1613 O GLY A 107 13.646 20.616 0.652 1.00 0.00 O ATOM 0 H GLY A 107 11.758 22.856 2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.942 23.360 2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.313 22.065 3.279 1.00 0.00 H new TER 1617 GLY A 107