USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 653 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 4 GLN : amide:sc= 0.742! C(o=-4.4!,f=-13!) USER MOD Set 1.2: A 5 LYS NZ :NH3+ -161:sc= 0.481 (180deg=-0.838) USER MOD Set 1.3: A 71 GLN : amide:sc= -5.58! C(o=-4.4!,f=-16!) USER MOD Set 2.1: A 51 MET CE :methyl -174:sc= -6.4! (180deg=-7.02!) USER MOD Set 2.2: A 52 SER OG : rot -120:sc= -3.78! USER MOD Set 3.1: A 43 ASN : amide:sc= -3.15! C(o=-2.3!,f=-17!) USER MOD Set 3.2: A 46 SER OG : rot 68:sc= 0.844 USER MOD Set 4.1: A 37 LYS NZ :NH3+ 167:sc= 0.566 (180deg=-0.01) USER MOD Set 4.2: A 40 LYS NZ :NH3+ -146:sc= 0 (180deg=0) USER MOD Set 4.3: A 56 SER OG : rot 82:sc= 1.75 USER MOD Set 5.1: A 3 GLN : amide:sc= -5.89! C(o=-5.8!,f=-11!) USER MOD Set 5.2: A 66 GLN : amide:sc= 0.0702! C(o=-5.8!,f=-19!) USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= -0.415 (180deg=-2.73!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0511 USER MOD Single : A 15 GLN : amide:sc= 1.22 K(o=1.2,f=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.106 F(o=-2.4,f=-0.11) USER MOD Single : A 27 ASN : amide:sc= -6.68! C(o=-6.7!,f=-7.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 68:sc= -0.324 USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= 0.0244 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= -0.0231! (180deg=-0.102!) USER MOD Single : A 48 MET CE :methyl -143:sc= -0.128 (180deg=-0.759) USER MOD Single : A 57 THR OG1 : rot -87:sc= -3.88! USER MOD Single : A 59 THR OG1 : rot 68:sc= 0.382 USER MOD Single : A 62 THR OG1 : rot -129:sc= -3.29! USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= -0.798 (180deg=-1.61!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -7.56! C(o=-7.6!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 19 N GLN A 3 -16.657 4.308 0.099 1.00 0.00 N ATOM 20 CA GLN A 3 -15.537 3.709 0.783 1.00 0.00 C ATOM 21 C GLN A 3 -16.002 2.715 1.829 1.00 0.00 C ATOM 22 O GLN A 3 -16.792 3.056 2.705 1.00 0.00 O ATOM 23 CB GLN A 3 -14.753 4.810 1.490 1.00 0.00 C ATOM 24 CG GLN A 3 -13.418 4.257 1.991 1.00 0.00 C ATOM 25 CD GLN A 3 -12.779 5.173 3.017 1.00 0.00 C ATOM 26 OE1 GLN A 3 -12.270 4.705 4.029 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.779 6.479 2.765 1.00 0.00 N ATOM 0 HA GLN A 3 -14.922 3.189 0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.579 5.641 0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.332 5.201 2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.575 3.272 2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.739 4.126 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.212 6.834 1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.346 7.126 3.424 1.00 0.00 H new ATOM 36 N GLN A 4 -15.476 1.501 1.756 1.00 0.00 N ATOM 37 CA GLN A 4 -15.697 0.518 2.789 1.00 0.00 C ATOM 38 C GLN A 4 -14.354 -0.163 3.029 1.00 0.00 C ATOM 39 O GLN A 4 -13.494 -0.141 2.153 1.00 0.00 O ATOM 40 CB GLN A 4 -16.796 -0.466 2.374 1.00 0.00 C ATOM 41 CG GLN A 4 -17.778 -0.651 3.532 1.00 0.00 C ATOM 42 CD GLN A 4 -17.036 -1.127 4.766 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.600 -0.317 5.580 1.00 0.00 O ATOM 44 NE2 GLN A 4 -16.752 -2.419 4.842 1.00 0.00 N ATOM 0 H GLN A 4 -14.891 1.179 0.985 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.050 0.973 3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.320 -0.092 1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.356 -1.425 2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.287 0.290 3.743 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.546 -1.374 3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.130 -3.066 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.155 -2.767 5.593 1.00 0.00 H new ATOM 53 N LYS A 5 -14.136 -0.755 4.197 1.00 0.00 N ATOM 54 CA LYS A 5 -12.924 -1.472 4.480 1.00 0.00 C ATOM 55 C LYS A 5 -13.246 -2.603 5.439 1.00 0.00 C ATOM 56 O LYS A 5 -14.234 -2.549 6.175 1.00 0.00 O ATOM 57 CB LYS A 5 -11.893 -0.531 5.091 1.00 0.00 C ATOM 58 CG LYS A 5 -12.445 0.312 6.242 1.00 0.00 C ATOM 59 CD LYS A 5 -13.172 1.537 5.688 1.00 0.00 C ATOM 60 CE LYS A 5 -13.941 2.244 6.801 1.00 0.00 C ATOM 61 NZ LYS A 5 -14.954 1.355 7.396 1.00 0.00 N ATOM 0 H LYS A 5 -14.803 -0.745 4.968 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.506 -1.881 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.047 -1.116 5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.513 0.133 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.128 -0.285 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.632 0.626 6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.453 2.223 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.859 1.234 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.246 2.576 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.425 3.136 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.661 1.925 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.423 0.810 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.494 0.701 8.062 1.00 0.00 H new ATOM 75 N VAL A 6 -12.411 -3.631 5.412 1.00 0.00 N ATOM 76 CA VAL A 6 -12.523 -4.758 6.310 1.00 0.00 C ATOM 77 C VAL A 6 -11.119 -5.043 6.823 1.00 0.00 C ATOM 78 O VAL A 6 -10.201 -5.265 6.035 1.00 0.00 O ATOM 79 CB VAL A 6 -13.171 -5.944 5.593 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.632 -5.590 5.321 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.469 -6.254 4.272 1.00 0.00 C ATOM 0 H VAL A 6 -11.631 -3.702 4.758 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.174 -4.552 7.160 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.090 -6.829 6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.118 -6.420 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.141 -5.397 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.680 -4.700 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.957 -7.102 3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.525 -5.384 3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.424 -6.497 4.464 1.00 0.00 H new ATOM 91 N GLU A 7 -10.908 -4.937 8.133 1.00 0.00 N ATOM 92 CA GLU A 7 -9.575 -5.171 8.649 1.00 0.00 C ATOM 93 C GLU A 7 -9.283 -6.657 8.756 1.00 0.00 C ATOM 94 O GLU A 7 -10.171 -7.474 8.991 1.00 0.00 O ATOM 95 CB GLU A 7 -9.334 -4.435 9.966 1.00 0.00 C ATOM 96 CG GLU A 7 -10.291 -4.894 11.063 1.00 0.00 C ATOM 97 CD GLU A 7 -9.817 -4.382 12.414 1.00 0.00 C ATOM 98 OE1 GLU A 7 -8.736 -4.843 12.841 1.00 0.00 O ATOM 99 OE2 GLU A 7 -10.542 -3.540 12.985 1.00 0.00 O ATOM 0 H GLU A 7 -11.616 -4.700 8.828 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.867 -4.754 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.306 -4.599 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.451 -3.363 9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.296 -4.526 10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.347 -5.982 11.076 1.00 0.00 H new ATOM 106 N VAL A 8 -8.014 -6.985 8.560 1.00 0.00 N ATOM 107 CA VAL A 8 -7.513 -8.339 8.541 1.00 0.00 C ATOM 108 C VAL A 8 -6.081 -8.322 9.061 1.00 0.00 C ATOM 109 O VAL A 8 -5.474 -7.255 9.163 1.00 0.00 O ATOM 110 CB VAL A 8 -7.501 -8.802 7.085 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.897 -8.962 6.500 1.00 0.00 C ATOM 112 CG2 VAL A 8 -6.807 -7.754 6.232 1.00 0.00 C ATOM 0 H VAL A 8 -7.286 -6.288 8.405 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.127 -8.999 9.153 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.993 -9.766 7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.822 -9.293 5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.451 -9.702 7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.419 -8.006 6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.796 -8.080 5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.343 -6.808 6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.783 -7.621 6.581 1.00 0.00 H new ATOM 122 N ARG A 9 -5.504 -9.478 9.376 1.00 0.00 N ATOM 123 CA ARG A 9 -4.093 -9.458 9.720 1.00 0.00 C ATOM 124 C ARG A 9 -3.337 -9.204 8.436 1.00 0.00 C ATOM 125 O ARG A 9 -3.516 -9.903 7.447 1.00 0.00 O ATOM 126 CB ARG A 9 -3.615 -10.768 10.331 1.00 0.00 C ATOM 127 CG ARG A 9 -2.096 -10.790 10.546 1.00 0.00 C ATOM 128 CD ARG A 9 -1.675 -12.220 10.899 1.00 0.00 C ATOM 129 NE ARG A 9 -2.163 -13.185 9.904 1.00 0.00 N ATOM 130 CZ ARG A 9 -1.630 -14.393 9.672 1.00 0.00 C ATOM 131 NH1 ARG A 9 -0.552 -14.801 10.347 1.00 0.00 N ATOM 132 NH2 ARG A 9 -2.183 -15.183 8.748 1.00 0.00 N ATOM 0 H ARG A 9 -5.962 -10.389 9.400 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.921 -8.685 10.469 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.117 -10.926 11.285 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.900 -11.595 9.681 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.581 -10.455 9.645 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.817 -10.105 11.346 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.588 -12.276 10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.063 -12.482 11.883 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.972 -12.914 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.127 -14.192 11.046 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.154 -15.722 10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.001 -14.865 8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.787 -16.104 8.562 1.00 0.00 H new ATOM 146 N LEU A 10 -2.474 -8.208 8.434 1.00 0.00 N ATOM 147 CA LEU A 10 -1.657 -7.907 7.287 1.00 0.00 C ATOM 148 C LEU A 10 -0.497 -8.899 7.277 1.00 0.00 C ATOM 149 O LEU A 10 0.669 -8.527 7.333 1.00 0.00 O ATOM 150 CB LEU A 10 -1.234 -6.453 7.466 1.00 0.00 C ATOM 151 CG LEU A 10 -0.120 -6.019 6.538 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.547 -6.208 5.087 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.167 -4.574 6.916 1.00 0.00 C ATOM 0 H LEU A 10 -2.323 -7.588 9.229 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.156 -8.007 6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.100 -5.811 7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.914 -6.302 8.497 1.00 0.00 H new ATOM 0 HG LEU A 10 0.789 -6.612 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.261 -5.893 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.773 -7.259 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.434 -5.607 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.967 -4.185 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.732 -3.975 6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.472 -4.525 7.961 1.00 0.00 H new ATOM 165 N LYS A 11 -0.824 -10.181 7.168 1.00 0.00 N ATOM 166 CA LYS A 11 0.078 -11.308 7.276 1.00 0.00 C ATOM 167 C LYS A 11 1.028 -11.333 6.095 1.00 0.00 C ATOM 168 O LYS A 11 2.150 -11.814 6.212 1.00 0.00 O ATOM 169 CB LYS A 11 -0.801 -12.548 7.251 1.00 0.00 C ATOM 170 CG LYS A 11 -0.062 -13.747 6.678 1.00 0.00 C ATOM 171 CD LYS A 11 -1.106 -14.358 5.767 1.00 0.00 C ATOM 172 CE LYS A 11 -1.229 -13.499 4.523 1.00 0.00 C ATOM 173 NZ LYS A 11 -2.206 -14.043 3.574 1.00 0.00 N ATOM 0 H LYS A 11 -1.785 -10.473 6.991 1.00 0.00 H new ATOM 0 HA LYS A 11 0.678 -11.252 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.137 -12.777 8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.692 -12.351 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.833 -13.451 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.255 -14.440 7.457 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.823 -15.375 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.066 -14.420 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.524 -12.489 4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.256 -13.422 4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.733 -13.263 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.710 -14.585 2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.868 -14.668 4.077 1.00 0.00 H new ATOM 187 N THR A 12 0.557 -10.861 4.952 1.00 0.00 N ATOM 188 CA THR A 12 1.392 -10.689 3.791 1.00 0.00 C ATOM 189 C THR A 12 2.532 -9.743 4.194 1.00 0.00 C ATOM 190 O THR A 12 3.707 -10.106 4.225 1.00 0.00 O ATOM 191 CB THR A 12 0.530 -10.120 2.656 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.134 -8.941 3.081 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.546 -11.134 2.279 1.00 0.00 C ATOM 0 H THR A 12 -0.416 -10.589 4.811 1.00 0.00 H new ATOM 0 HA THR A 12 1.822 -11.625 3.436 1.00 0.00 H new ATOM 0 HB THR A 12 1.183 -9.902 1.811 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.678 -8.589 2.346 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.159 -10.731 1.473 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.074 -12.059 1.948 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.174 -11.337 3.146 1.00 0.00 H new ATOM 201 N GLY A 13 2.168 -8.525 4.580 1.00 0.00 N ATOM 202 CA GLY A 13 3.120 -7.513 5.004 1.00 0.00 C ATOM 203 C GLY A 13 3.866 -6.902 3.822 1.00 0.00 C ATOM 204 O GLY A 13 5.017 -6.496 3.942 1.00 0.00 O ATOM 0 H GLY A 13 1.197 -8.213 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.596 -6.727 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.837 -7.956 5.696 1.00 0.00 H new ATOM 208 N LEU A 14 3.194 -6.861 2.673 1.00 0.00 N ATOM 209 CA LEU A 14 3.595 -6.143 1.469 1.00 0.00 C ATOM 210 C LEU A 14 5.085 -6.276 1.160 1.00 0.00 C ATOM 211 O LEU A 14 5.809 -5.291 1.008 1.00 0.00 O ATOM 212 CB LEU A 14 3.151 -4.690 1.618 1.00 0.00 C ATOM 213 CG LEU A 14 1.638 -4.488 1.432 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.229 -4.468 -0.032 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.777 -5.546 2.121 1.00 0.00 C ATOM 0 H LEU A 14 2.309 -7.354 2.553 1.00 0.00 H new ATOM 0 HA LEU A 14 3.104 -6.589 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.439 -4.330 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.683 -4.079 0.889 1.00 0.00 H new ATOM 0 HG LEU A 14 1.457 -3.520 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.151 -4.323 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.741 -3.652 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.501 -5.415 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.276 -5.331 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.020 -6.530 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.972 -5.532 3.193 1.00 0.00 H new ATOM 227 N GLN A 15 5.535 -7.514 1.010 1.00 0.00 N ATOM 228 CA GLN A 15 6.921 -7.850 0.756 1.00 0.00 C ATOM 229 C GLN A 15 7.210 -7.734 -0.734 1.00 0.00 C ATOM 230 O GLN A 15 7.576 -8.702 -1.400 1.00 0.00 O ATOM 231 CB GLN A 15 7.200 -9.251 1.288 1.00 0.00 C ATOM 232 CG GLN A 15 6.949 -9.273 2.794 1.00 0.00 C ATOM 233 CD GLN A 15 7.232 -10.654 3.362 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.360 -11.134 3.307 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.213 -11.315 3.894 1.00 0.00 N ATOM 0 H GLN A 15 4.927 -8.331 1.064 1.00 0.00 H new ATOM 0 HA GLN A 15 7.584 -7.156 1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.558 -9.977 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.230 -9.536 1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.583 -8.535 3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.916 -8.993 3.000 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.288 -10.887 3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.355 -12.251 4.273 1.00 0.00 H new ATOM 244 N ALA A 16 7.052 -6.517 -1.250 1.00 0.00 N ATOM 245 CA ALA A 16 7.242 -6.211 -2.655 1.00 0.00 C ATOM 246 C ALA A 16 6.244 -7.020 -3.487 1.00 0.00 C ATOM 247 O ALA A 16 5.063 -7.030 -3.158 1.00 0.00 O ATOM 248 CB ALA A 16 8.700 -6.461 -3.045 1.00 0.00 C ATOM 0 H ALA A 16 6.784 -5.707 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 16 7.044 -5.158 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.839 -6.230 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.351 -5.825 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.950 -7.507 -2.866 1.00 0.00 H new ATOM 254 N ARG A 17 6.714 -7.697 -4.539 1.00 0.00 N ATOM 255 CA ARG A 17 5.936 -8.475 -5.502 1.00 0.00 C ATOM 256 C ARG A 17 4.582 -9.019 -5.022 1.00 0.00 C ATOM 257 O ARG A 17 3.564 -8.679 -5.625 1.00 0.00 O ATOM 258 CB ARG A 17 6.826 -9.581 -6.069 1.00 0.00 C ATOM 259 CG ARG A 17 6.236 -10.197 -7.340 1.00 0.00 C ATOM 260 CD ARG A 17 6.000 -9.139 -8.421 1.00 0.00 C ATOM 261 NE ARG A 17 4.794 -8.355 -8.139 1.00 0.00 N ATOM 262 CZ ARG A 17 4.565 -7.109 -8.570 1.00 0.00 C ATOM 263 NH1 ARG A 17 5.454 -6.490 -9.353 1.00 0.00 N ATOM 264 NH2 ARG A 17 3.437 -6.496 -8.201 1.00 0.00 N ATOM 0 H ARG A 17 7.711 -7.716 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 17 5.635 -7.770 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.814 -9.175 -6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.960 -10.359 -5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.911 -10.963 -7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.294 -10.692 -7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.863 -8.476 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.904 -9.623 -9.393 1.00 0.00 H new ATOM 0 HE ARG A 17 4.072 -8.794 -7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.313 -6.967 -9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.273 -5.540 -9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.768 -6.978 -7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.245 -5.546 -8.520 1.00 0.00 H new ATOM 278 N PRO A 18 4.547 -9.870 -3.988 1.00 0.00 N ATOM 279 CA PRO A 18 3.332 -10.485 -3.470 1.00 0.00 C ATOM 280 C PRO A 18 2.250 -9.465 -3.129 1.00 0.00 C ATOM 281 O PRO A 18 1.284 -9.297 -3.876 1.00 0.00 O ATOM 282 CB PRO A 18 3.771 -11.284 -2.244 1.00 0.00 C ATOM 283 CG PRO A 18 5.104 -10.643 -1.845 1.00 0.00 C ATOM 284 CD PRO A 18 5.695 -10.229 -3.182 1.00 0.00 C ATOM 0 HA PRO A 18 2.869 -11.123 -4.223 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.038 -11.216 -1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.891 -12.342 -2.478 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.959 -9.788 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.749 -11.346 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.380 -9.389 -3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.260 -11.043 -3.636 1.00 0.00 H new ATOM 292 N ALA A 19 2.382 -8.754 -2.013 1.00 0.00 N ATOM 293 CA ALA A 19 1.375 -7.775 -1.679 1.00 0.00 C ATOM 294 C ALA A 19 1.419 -6.572 -2.618 1.00 0.00 C ATOM 295 O ALA A 19 0.501 -5.762 -2.586 1.00 0.00 O ATOM 296 CB ALA A 19 1.463 -7.391 -0.218 1.00 0.00 C ATOM 0 H ALA A 19 3.152 -8.838 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 19 0.395 -8.229 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.695 -6.652 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.312 -8.276 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.446 -6.968 -0.012 1.00 0.00 H new ATOM 302 N ALA A 20 2.442 -6.445 -3.467 1.00 0.00 N ATOM 303 CA ALA A 20 2.436 -5.476 -4.549 1.00 0.00 C ATOM 304 C ALA A 20 1.333 -5.902 -5.515 1.00 0.00 C ATOM 305 O ALA A 20 0.574 -5.071 -6.005 1.00 0.00 O ATOM 306 CB ALA A 20 3.791 -5.455 -5.248 1.00 0.00 C ATOM 0 H ALA A 20 3.290 -7.010 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 20 2.252 -4.469 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.772 -4.724 -6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.566 -5.183 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.005 -6.443 -5.656 1.00 0.00 H new ATOM 312 N LEU A 21 1.234 -7.210 -5.774 1.00 0.00 N ATOM 313 CA LEU A 21 0.155 -7.809 -6.539 1.00 0.00 C ATOM 314 C LEU A 21 -1.153 -7.491 -5.822 1.00 0.00 C ATOM 315 O LEU A 21 -2.115 -7.074 -6.454 1.00 0.00 O ATOM 316 CB LEU A 21 0.376 -9.317 -6.600 1.00 0.00 C ATOM 317 CG LEU A 21 -0.321 -9.938 -7.809 1.00 0.00 C ATOM 318 CD1 LEU A 21 0.049 -11.415 -7.890 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.835 -9.810 -7.671 1.00 0.00 C ATOM 0 H LEU A 21 1.921 -7.890 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 21 0.123 -7.418 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.444 -9.527 -6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.001 -9.778 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.001 -9.417 -8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.444 -11.867 -8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.129 -11.514 -7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.273 -11.921 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.319 -10.257 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.163 -10.325 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.107 -8.756 -7.606 1.00 0.00 H new ATOM 331 N PHE A 22 -1.164 -7.671 -4.497 1.00 0.00 N ATOM 332 CA PHE A 22 -2.276 -7.284 -3.627 1.00 0.00 C ATOM 333 C PHE A 22 -2.709 -5.852 -3.962 1.00 0.00 C ATOM 334 O PHE A 22 -3.870 -5.607 -4.286 1.00 0.00 O ATOM 335 CB PHE A 22 -1.802 -7.409 -2.177 1.00 0.00 C ATOM 336 CG PHE A 22 -2.482 -6.515 -1.171 1.00 0.00 C ATOM 337 CD1 PHE A 22 -3.777 -6.792 -0.705 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.810 -5.359 -0.742 1.00 0.00 C ATOM 339 CE1 PHE A 22 -4.391 -5.913 0.203 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.430 -4.471 0.151 1.00 0.00 C ATOM 341 CZ PHE A 22 -3.719 -4.755 0.633 1.00 0.00 C ATOM 0 H PHE A 22 -0.387 -8.097 -3.992 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.141 -7.930 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.937 -8.444 -1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.732 -7.204 -2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.298 -7.676 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.812 -5.152 -1.100 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.383 -6.128 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.919 -3.574 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.194 -4.084 1.334 1.00 0.00 H new ATOM 351 N VAL A 23 -1.749 -4.928 -3.916 1.00 0.00 N ATOM 352 CA VAL A 23 -1.889 -3.526 -4.259 1.00 0.00 C ATOM 353 C VAL A 23 -2.527 -3.416 -5.636 1.00 0.00 C ATOM 354 O VAL A 23 -3.458 -2.642 -5.836 1.00 0.00 O ATOM 355 CB VAL A 23 -0.486 -2.912 -4.250 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.390 -1.640 -5.082 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.068 -2.576 -2.824 1.00 0.00 C ATOM 0 H VAL A 23 -0.801 -5.159 -3.620 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.525 -2.997 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 23 0.175 -3.660 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.627 -1.252 -5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.648 -1.862 -6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.081 -0.894 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.931 -2.140 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.772 -1.862 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.063 -3.485 -2.222 1.00 0.00 H new ATOM 367 N GLN A 24 -2.003 -4.170 -6.597 1.00 0.00 N ATOM 368 CA GLN A 24 -2.488 -4.243 -7.957 1.00 0.00 C ATOM 369 C GLN A 24 -3.946 -4.712 -8.002 1.00 0.00 C ATOM 370 O GLN A 24 -4.723 -4.221 -8.814 1.00 0.00 O ATOM 371 CB GLN A 24 -1.538 -5.174 -8.713 1.00 0.00 C ATOM 372 CG GLN A 24 -1.742 -5.135 -10.224 1.00 0.00 C ATOM 373 CD GLN A 24 -2.595 -6.298 -10.709 1.00 0.00 C ATOM 374 OE1 GLN A 24 -3.911 -6.163 -10.630 1.00 0.00 O flip ATOM 375 NE2 GLN A 24 -2.071 -7.312 -11.155 1.00 0.00 N flip ATOM 0 H GLN A 24 -1.194 -4.770 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.494 -3.261 -8.431 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.509 -4.898 -8.484 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.681 -6.195 -8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.217 -4.195 -10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.773 -5.162 -10.722 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.055 -7.383 -11.202 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.651 -8.085 -11.480 1.00 0.00 H new ATOM 384 N GLU A 25 -4.334 -5.665 -7.161 1.00 0.00 N ATOM 385 CA GLU A 25 -5.681 -6.200 -7.086 1.00 0.00 C ATOM 386 C GLU A 25 -6.612 -5.131 -6.549 1.00 0.00 C ATOM 387 O GLU A 25 -7.646 -4.869 -7.152 1.00 0.00 O ATOM 388 CB GLU A 25 -5.688 -7.404 -6.144 1.00 0.00 C ATOM 389 CG GLU A 25 -4.681 -8.474 -6.558 1.00 0.00 C ATOM 390 CD GLU A 25 -5.266 -9.407 -7.604 1.00 0.00 C ATOM 391 OE1 GLU A 25 -6.336 -9.978 -7.299 1.00 0.00 O ATOM 392 OE2 GLU A 25 -4.653 -9.518 -8.688 1.00 0.00 O ATOM 0 H GLU A 25 -3.696 -6.097 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.015 -6.509 -8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.463 -7.070 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.687 -7.839 -6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.783 -7.998 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.378 -9.049 -5.683 1.00 0.00 H new ATOM 399 N ALA A 26 -6.241 -4.509 -5.427 1.00 0.00 N ATOM 400 CA ALA A 26 -6.978 -3.375 -4.887 1.00 0.00 C ATOM 401 C ALA A 26 -7.173 -2.363 -6.013 1.00 0.00 C ATOM 402 O ALA A 26 -8.290 -1.947 -6.312 1.00 0.00 O ATOM 403 CB ALA A 26 -6.154 -2.747 -3.769 1.00 0.00 C ATOM 0 H ALA A 26 -5.427 -4.778 -4.875 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.945 -3.687 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.693 -1.895 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.982 -3.485 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.197 -2.411 -4.167 1.00 0.00 H new ATOM 409 N ASN A 27 -6.046 -2.046 -6.651 1.00 0.00 N ATOM 410 CA ASN A 27 -5.885 -1.198 -7.817 1.00 0.00 C ATOM 411 C ASN A 27 -6.842 -1.572 -8.931 1.00 0.00 C ATOM 412 O ASN A 27 -7.357 -0.689 -9.610 1.00 0.00 O ATOM 413 CB ASN A 27 -4.480 -1.416 -8.346 1.00 0.00 C ATOM 414 CG ASN A 27 -3.603 -0.209 -8.061 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.887 0.901 -8.498 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.554 -0.427 -7.279 1.00 0.00 N ATOM 0 H ASN A 27 -5.149 -2.411 -6.332 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.079 -0.167 -7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.046 -2.303 -7.885 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.515 -1.600 -9.420 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.944 0.347 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.358 -1.369 -6.940 1.00 0.00 H new ATOM 423 N ARG A 28 -7.043 -2.877 -9.141 1.00 0.00 N ATOM 424 CA ARG A 28 -7.986 -3.372 -10.136 1.00 0.00 C ATOM 425 C ARG A 28 -9.338 -2.704 -9.957 1.00 0.00 C ATOM 426 O ARG A 28 -10.027 -2.386 -10.922 1.00 0.00 O ATOM 427 CB ARG A 28 -8.220 -4.860 -9.931 1.00 0.00 C ATOM 428 CG ARG A 28 -7.009 -5.710 -10.280 1.00 0.00 C ATOM 429 CD ARG A 28 -7.487 -7.158 -10.217 1.00 0.00 C ATOM 430 NE ARG A 28 -6.386 -8.092 -10.433 1.00 0.00 N ATOM 431 CZ ARG A 28 -5.988 -8.562 -11.619 1.00 0.00 C ATOM 432 NH1 ARG A 28 -6.573 -8.151 -12.749 1.00 0.00 N ATOM 433 NH2 ARG A 28 -4.974 -9.429 -11.643 1.00 0.00 N ATOM 0 H ARG A 28 -6.557 -3.612 -8.627 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.568 -3.162 -11.121 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.494 -5.038 -8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.066 -5.176 -10.542 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.632 -5.465 -11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.194 -5.536 -9.578 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.944 -7.350 -9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.258 -7.321 -10.970 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.878 -8.413 -9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.332 -7.471 -12.712 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.260 -8.517 -13.648 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.526 -9.715 -10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.646 -9.806 -12.532 1.00 0.00 H new ATOM 447 N PHE A 29 -9.721 -2.535 -8.698 1.00 0.00 N ATOM 448 CA PHE A 29 -10.972 -1.927 -8.352 1.00 0.00 C ATOM 449 C PHE A 29 -10.870 -0.427 -8.519 1.00 0.00 C ATOM 450 O PHE A 29 -9.911 0.206 -8.081 1.00 0.00 O ATOM 451 CB PHE A 29 -11.316 -2.353 -6.936 1.00 0.00 C ATOM 452 CG PHE A 29 -11.491 -3.851 -6.892 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.319 -4.461 -7.850 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.560 -4.627 -6.189 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.270 -5.845 -8.062 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.518 -6.015 -6.387 1.00 0.00 C ATOM 457 CZ PHE A 29 -11.363 -6.624 -7.331 1.00 0.00 C ATOM 0 H PHE A 29 -9.161 -2.821 -7.895 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.779 -2.251 -9.009 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.525 -2.048 -6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.231 -1.859 -6.608 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.001 -3.856 -8.429 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.877 -4.158 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.927 -6.308 -8.784 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.833 -6.619 -5.811 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.313 -7.691 -7.493 1.00 0.00 H new ATOM 467 N THR A 30 -11.911 0.138 -9.114 1.00 0.00 N ATOM 468 CA THR A 30 -12.015 1.554 -9.437 1.00 0.00 C ATOM 469 C THR A 30 -12.345 2.359 -8.177 1.00 0.00 C ATOM 470 O THR A 30 -13.314 3.114 -8.139 1.00 0.00 O ATOM 471 CB THR A 30 -13.127 1.700 -10.476 1.00 0.00 C ATOM 472 OG1 THR A 30 -12.898 0.818 -11.554 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.187 3.133 -10.979 1.00 0.00 C ATOM 0 H THR A 30 -12.734 -0.395 -9.395 1.00 0.00 H new ATOM 0 HA THR A 30 -11.073 1.934 -9.832 1.00 0.00 H new ATOM 0 HB THR A 30 -14.080 1.450 -10.010 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.615 0.916 -12.215 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.982 3.226 -11.719 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.388 3.804 -10.144 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.234 3.398 -11.436 1.00 0.00 H new ATOM 481 N SER A 31 -11.515 2.206 -7.153 1.00 0.00 N ATOM 482 CA SER A 31 -11.697 2.717 -5.823 1.00 0.00 C ATOM 483 C SER A 31 -10.408 3.302 -5.278 1.00 0.00 C ATOM 484 O SER A 31 -9.324 2.767 -5.507 1.00 0.00 O ATOM 485 CB SER A 31 -12.064 1.520 -4.938 1.00 0.00 C ATOM 486 OG SER A 31 -12.999 0.652 -5.563 1.00 0.00 O ATOM 0 H SER A 31 -10.643 1.686 -7.248 1.00 0.00 H new ATOM 0 HA SER A 31 -12.461 3.495 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.160 0.961 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.480 1.881 -3.997 1.00 0.00 H new ATOM 0 HG SER A 31 -12.574 0.209 -6.327 1.00 0.00 H new ATOM 492 N ASP A 32 -10.537 4.375 -4.504 1.00 0.00 N ATOM 493 CA ASP A 32 -9.444 4.934 -3.748 1.00 0.00 C ATOM 494 C ASP A 32 -9.284 3.952 -2.595 1.00 0.00 C ATOM 495 O ASP A 32 -10.019 3.999 -1.613 1.00 0.00 O ATOM 496 CB ASP A 32 -9.874 6.325 -3.317 1.00 0.00 C ATOM 497 CG ASP A 32 -8.802 7.113 -2.589 1.00 0.00 C ATOM 498 OD1 ASP A 32 -7.625 6.700 -2.643 1.00 0.00 O ATOM 499 OD2 ASP A 32 -9.196 8.122 -1.966 1.00 0.00 O ATOM 0 H ASP A 32 -11.416 4.879 -4.389 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.495 5.052 -4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.185 6.886 -4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.747 6.238 -2.670 1.00 0.00 H new ATOM 504 N VAL A 33 -8.437 2.959 -2.823 1.00 0.00 N ATOM 505 CA VAL A 33 -8.262 1.827 -1.939 1.00 0.00 C ATOM 506 C VAL A 33 -7.335 2.166 -0.787 1.00 0.00 C ATOM 507 O VAL A 33 -6.373 2.918 -0.939 1.00 0.00 O ATOM 508 CB VAL A 33 -7.806 0.637 -2.771 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.504 -0.536 -1.846 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.966 0.331 -3.719 1.00 0.00 C ATOM 0 H VAL A 33 -7.840 2.922 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.205 1.559 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.895 0.836 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.177 -1.391 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.716 -0.255 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.403 -0.802 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.706 -0.518 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.857 0.092 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.164 1.201 -4.345 1.00 0.00 H new ATOM 520 N PHE A 34 -7.629 1.613 0.386 1.00 0.00 N ATOM 521 CA PHE A 34 -6.920 1.952 1.599 1.00 0.00 C ATOM 522 C PHE A 34 -6.513 0.722 2.397 1.00 0.00 C ATOM 523 O PHE A 34 -6.939 -0.392 2.115 1.00 0.00 O ATOM 524 CB PHE A 34 -7.804 2.854 2.470 1.00 0.00 C ATOM 525 CG PHE A 34 -8.361 4.103 1.813 1.00 0.00 C ATOM 526 CD1 PHE A 34 -7.675 4.720 0.753 1.00 0.00 C ATOM 527 CD2 PHE A 34 -9.510 4.718 2.340 1.00 0.00 C ATOM 528 CE1 PHE A 34 -8.179 5.891 0.169 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.978 5.924 1.795 1.00 0.00 C ATOM 530 CZ PHE A 34 -9.313 6.514 0.711 1.00 0.00 C ATOM 0 H PHE A 34 -8.366 0.919 0.514 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.007 2.472 1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.641 2.259 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.225 3.158 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.755 4.290 0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.034 4.261 3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.694 6.313 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.854 6.399 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 34 -9.672 7.444 0.295 1.00 0.00 H new ATOM 540 N LEU A 35 -5.681 0.938 3.407 1.00 0.00 N ATOM 541 CA LEU A 35 -5.245 -0.086 4.338 1.00 0.00 C ATOM 542 C LEU A 35 -4.979 0.632 5.652 1.00 0.00 C ATOM 543 O LEU A 35 -4.216 1.594 5.655 1.00 0.00 O ATOM 544 CB LEU A 35 -4.011 -0.785 3.769 1.00 0.00 C ATOM 545 CG LEU A 35 -3.601 -1.975 4.630 1.00 0.00 C ATOM 546 CD1 LEU A 35 -2.950 -3.029 3.739 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.599 -1.520 5.686 1.00 0.00 C ATOM 0 H LEU A 35 -5.282 1.856 3.604 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.986 -0.869 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.218 -1.122 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.185 -0.076 3.708 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.479 -2.393 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.653 -3.885 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.661 -3.352 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.070 -2.604 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.307 -2.371 6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.717 -1.106 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.056 -0.757 6.316 1.00 0.00 H new ATOM 559 N GLU A 36 -5.647 0.227 6.732 1.00 0.00 N ATOM 560 CA GLU A 36 -5.594 0.938 8.001 1.00 0.00 C ATOM 561 C GLU A 36 -5.025 0.049 9.110 1.00 0.00 C ATOM 562 O GLU A 36 -5.782 -0.721 9.698 1.00 0.00 O ATOM 563 CB GLU A 36 -7.021 1.340 8.380 1.00 0.00 C ATOM 564 CG GLU A 36 -7.815 1.833 7.172 1.00 0.00 C ATOM 565 CD GLU A 36 -9.249 2.147 7.561 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.999 1.180 7.812 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.567 3.354 7.599 1.00 0.00 O ATOM 0 H GLU A 36 -6.239 -0.604 6.748 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.948 1.810 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.532 0.487 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.988 2.124 9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.342 2.724 6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.803 1.074 6.389 1.00 0.00 H new ATOM 574 N LYS A 37 -3.733 0.166 9.425 1.00 0.00 N ATOM 575 CA LYS A 37 -3.040 -0.583 10.466 1.00 0.00 C ATOM 576 C LYS A 37 -3.653 -0.266 11.821 1.00 0.00 C ATOM 577 O LYS A 37 -3.227 0.680 12.480 1.00 0.00 O ATOM 578 CB LYS A 37 -1.575 -0.157 10.471 1.00 0.00 C ATOM 579 CG LYS A 37 -0.856 -0.521 9.177 1.00 0.00 C ATOM 580 CD LYS A 37 0.075 -1.706 9.441 1.00 0.00 C ATOM 581 CE LYS A 37 0.890 -1.452 10.713 1.00 0.00 C ATOM 582 NZ LYS A 37 1.835 -0.337 10.538 1.00 0.00 N ATOM 0 H LYS A 37 -3.117 0.816 8.937 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.127 -1.652 10.274 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.514 0.920 10.626 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.066 -0.629 11.311 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.580 -0.776 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.285 0.332 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.507 -2.621 9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.744 -1.851 8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.215 -1.231 11.540 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.438 -2.355 10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.208 -0.049 11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.621 -0.640 9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.345 0.467 10.097 1.00 0.00 H new ATOM 596 N ASP A 38 -4.690 -1.005 12.213 1.00 0.00 N ATOM 597 CA ASP A 38 -5.456 -0.737 13.418 1.00 0.00 C ATOM 598 C ASP A 38 -5.908 0.725 13.400 1.00 0.00 C ATOM 599 O ASP A 38 -5.974 1.372 14.442 1.00 0.00 O ATOM 600 CB ASP A 38 -4.600 -1.025 14.651 1.00 0.00 C ATOM 601 CG ASP A 38 -4.126 -2.472 14.703 1.00 0.00 C ATOM 602 OD1 ASP A 38 -4.936 -3.319 15.138 1.00 0.00 O ATOM 603 OD2 ASP A 38 -2.959 -2.706 14.318 1.00 0.00 O ATOM 0 H ASP A 38 -5.022 -1.817 11.692 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.334 -1.382 13.456 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.735 -0.362 14.653 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.175 -0.801 15.550 1.00 0.00 H new ATOM 608 N GLY A 39 -6.182 1.266 12.207 1.00 0.00 N ATOM 609 CA GLY A 39 -6.522 2.671 12.086 1.00 0.00 C ATOM 610 C GLY A 39 -5.505 3.443 11.241 1.00 0.00 C ATOM 611 O GLY A 39 -5.848 4.462 10.646 1.00 0.00 O ATOM 0 H GLY A 39 -6.173 0.751 11.326 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.511 2.766 11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.578 3.116 13.079 1.00 0.00 H new ATOM 615 N LYS A 40 -4.259 2.965 11.156 1.00 0.00 N ATOM 616 CA LYS A 40 -3.197 3.606 10.399 1.00 0.00 C ATOM 617 C LYS A 40 -3.452 3.395 8.913 1.00 0.00 C ATOM 618 O LYS A 40 -2.861 2.514 8.296 1.00 0.00 O ATOM 619 CB LYS A 40 -1.863 2.985 10.812 1.00 0.00 C ATOM 620 CG LYS A 40 -1.689 3.034 12.330 1.00 0.00 C ATOM 621 CD LYS A 40 -0.329 2.454 12.704 1.00 0.00 C ATOM 622 CE LYS A 40 0.755 3.173 11.906 1.00 0.00 C ATOM 623 NZ LYS A 40 2.093 2.696 12.290 1.00 0.00 N ATOM 0 H LYS A 40 -3.963 2.107 11.622 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.169 4.677 10.600 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.816 1.951 10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.044 3.518 10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.767 4.062 12.683 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.484 2.469 12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.150 2.572 13.773 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.305 1.385 12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.598 3.008 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.685 4.247 12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.772 3.482 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.066 2.334 13.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.388 1.935 11.646 1.00 0.00 H new ATOM 637 N LYS A 41 -4.375 4.161 8.352 1.00 0.00 N ATOM 638 CA LYS A 41 -4.797 3.973 6.982 1.00 0.00 C ATOM 639 C LYS A 41 -4.021 4.802 5.955 1.00 0.00 C ATOM 640 O LYS A 41 -3.717 5.974 6.166 1.00 0.00 O ATOM 641 CB LYS A 41 -6.300 4.223 6.937 1.00 0.00 C ATOM 642 CG LYS A 41 -6.835 4.302 5.509 1.00 0.00 C ATOM 643 CD LYS A 41 -6.596 5.722 4.995 1.00 0.00 C ATOM 644 CE LYS A 41 -6.580 5.695 3.476 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.203 7.000 2.913 1.00 0.00 N ATOM 0 H LYS A 41 -4.848 4.925 8.835 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.568 2.951 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.814 3.424 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.527 5.153 7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.330 3.576 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.898 4.062 5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.380 6.390 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.650 6.107 5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.879 4.934 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.565 5.410 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.622 7.104 1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.553 7.759 3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.167 7.061 2.842 1.00 0.00 H new ATOM 659 N VAL A 42 -3.784 4.179 4.801 1.00 0.00 N ATOM 660 CA VAL A 42 -3.146 4.743 3.619 1.00 0.00 C ATOM 661 C VAL A 42 -3.811 4.204 2.365 1.00 0.00 C ATOM 662 O VAL A 42 -4.686 3.343 2.447 1.00 0.00 O ATOM 663 CB VAL A 42 -1.666 4.364 3.575 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.859 5.207 4.552 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.519 2.878 3.898 1.00 0.00 C ATOM 0 H VAL A 42 -4.051 3.205 4.661 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.247 5.827 3.666 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.278 4.558 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.191 4.918 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.958 6.261 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.231 5.047 5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.465 2.602 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.918 2.681 4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.069 2.290 3.164 1.00 0.00 H new ATOM 675 N ASN A 43 -3.403 4.716 1.201 1.00 0.00 N ATOM 676 CA ASN A 43 -3.886 4.214 -0.064 1.00 0.00 C ATOM 677 C ASN A 43 -3.239 2.868 -0.323 1.00 0.00 C ATOM 678 O ASN A 43 -2.089 2.780 -0.745 1.00 0.00 O ATOM 679 CB ASN A 43 -3.576 5.185 -1.194 1.00 0.00 C ATOM 680 CG ASN A 43 -4.204 4.676 -2.480 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.715 3.730 -3.085 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.293 5.287 -2.917 1.00 0.00 N ATOM 0 H ASN A 43 -2.735 5.483 1.121 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.970 4.104 -0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.963 6.175 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.498 5.285 -1.317 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.745 4.972 -3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.681 6.073 -2.395 1.00 0.00 H new ATOM 689 N ALA A 44 -4.038 1.837 -0.088 1.00 0.00 N ATOM 690 CA ALA A 44 -3.700 0.433 -0.206 1.00 0.00 C ATOM 691 C ALA A 44 -3.001 0.097 -1.517 1.00 0.00 C ATOM 692 O ALA A 44 -2.050 -0.679 -1.539 1.00 0.00 O ATOM 693 CB ALA A 44 -5.002 -0.356 -0.184 1.00 0.00 C ATOM 0 H ALA A 44 -5.004 1.973 0.210 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.025 0.186 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.784 -1.420 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.525 -0.168 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.630 -0.045 -1.019 1.00 0.00 H new ATOM 699 N LYS A 45 -3.501 0.663 -2.613 1.00 0.00 N ATOM 700 CA LYS A 45 -2.978 0.375 -3.935 1.00 0.00 C ATOM 701 C LYS A 45 -1.761 1.233 -4.294 1.00 0.00 C ATOM 702 O LYS A 45 -1.164 1.043 -5.353 1.00 0.00 O ATOM 703 CB LYS A 45 -4.099 0.532 -4.957 1.00 0.00 C ATOM 704 CG LYS A 45 -4.737 1.910 -4.831 1.00 0.00 C ATOM 705 CD LYS A 45 -5.492 2.237 -6.112 1.00 0.00 C ATOM 706 CE LYS A 45 -6.723 1.341 -6.241 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.429 1.590 -7.509 1.00 0.00 N ATOM 0 H LYS A 45 -4.274 1.328 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.618 -0.654 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.704 0.397 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.852 -0.241 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.417 1.931 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.970 2.662 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.794 3.284 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.839 2.097 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.422 0.295 -6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.397 1.522 -5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.251 0.957 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.750 2.579 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.785 1.411 -8.306 1.00 0.00 H new ATOM 721 N SER A 46 -1.416 2.208 -3.457 1.00 0.00 N ATOM 722 CA SER A 46 -0.240 3.024 -3.667 1.00 0.00 C ATOM 723 C SER A 46 0.905 2.576 -2.762 1.00 0.00 C ATOM 724 O SER A 46 0.704 1.862 -1.781 1.00 0.00 O ATOM 725 CB SER A 46 -0.583 4.487 -3.400 1.00 0.00 C ATOM 726 OG SER A 46 -1.586 4.906 -4.299 1.00 0.00 O ATOM 0 H SER A 46 -1.946 2.448 -2.619 1.00 0.00 H new ATOM 0 HA SER A 46 0.086 2.910 -4.701 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.926 4.610 -2.373 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.306 5.107 -3.515 1.00 0.00 H new ATOM 0 HG SER A 46 -2.425 4.444 -4.091 1.00 0.00 H new ATOM 732 N ILE A 47 2.111 3.048 -3.084 1.00 0.00 N ATOM 733 CA ILE A 47 3.339 2.827 -2.329 1.00 0.00 C ATOM 734 C ILE A 47 3.125 2.872 -0.822 1.00 0.00 C ATOM 735 O ILE A 47 3.479 1.943 -0.109 1.00 0.00 O ATOM 736 CB ILE A 47 4.386 3.877 -2.724 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.548 3.874 -1.720 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.794 5.285 -2.831 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.306 4.889 -0.593 1.00 0.00 C ATOM 0 H ILE A 47 2.261 3.620 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 47 3.687 1.824 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 47 4.753 3.603 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.665 2.876 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.479 4.112 -2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.577 5.989 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.009 5.293 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.373 5.577 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.144 4.866 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.214 5.889 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.388 4.634 -0.064 1.00 0.00 H new ATOM 751 N MET A 48 2.569 3.966 -0.316 1.00 0.00 N ATOM 752 CA MET A 48 2.444 4.096 1.121 1.00 0.00 C ATOM 753 C MET A 48 1.460 3.088 1.709 1.00 0.00 C ATOM 754 O MET A 48 1.555 2.747 2.889 1.00 0.00 O ATOM 755 CB MET A 48 2.102 5.537 1.470 1.00 0.00 C ATOM 756 CG MET A 48 2.123 5.700 2.989 1.00 0.00 C ATOM 757 SD MET A 48 1.706 7.352 3.581 1.00 0.00 S ATOM 758 CE MET A 48 3.003 8.284 2.742 1.00 0.00 C ATOM 0 H MET A 48 2.210 4.749 -0.862 1.00 0.00 H new ATOM 0 HA MET A 48 3.402 3.855 1.583 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.819 6.216 1.009 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.119 5.796 1.077 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.425 4.986 3.426 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.116 5.439 3.354 1.00 0.00 H new ATOM 0 HE1 MET A 48 3.353 9.086 3.392 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.834 7.619 2.506 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.607 8.711 1.821 1.00 0.00 H new ATOM 768 N GLY A 49 0.528 2.596 0.900 1.00 0.00 N ATOM 769 CA GLY A 49 -0.364 1.557 1.345 1.00 0.00 C ATOM 770 C GLY A 49 0.429 0.261 1.373 1.00 0.00 C ATOM 771 O GLY A 49 0.422 -0.418 2.388 1.00 0.00 O ATOM 0 H GLY A 49 0.379 2.905 -0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.759 1.787 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.218 1.470 0.673 1.00 0.00 H new ATOM 775 N LEU A 50 1.146 -0.048 0.291 1.00 0.00 N ATOM 776 CA LEU A 50 1.957 -1.237 0.135 1.00 0.00 C ATOM 777 C LEU A 50 3.201 -1.216 1.019 1.00 0.00 C ATOM 778 O LEU A 50 3.268 -1.842 2.071 1.00 0.00 O ATOM 779 CB LEU A 50 2.419 -1.239 -1.323 1.00 0.00 C ATOM 780 CG LEU A 50 2.712 -2.636 -1.867 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.305 -2.531 -3.267 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.715 -3.343 -0.965 1.00 0.00 C ATOM 0 H LEU A 50 1.172 0.556 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 50 1.372 -2.113 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.652 -0.771 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.317 -0.627 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 50 1.780 -3.201 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.512 -3.530 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.596 -2.029 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.232 -1.958 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.920 -4.339 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.641 -2.769 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.303 -3.428 0.041 1.00 0.00 H new ATOM 794 N MET A 51 4.203 -0.497 0.520 1.00 0.00 N ATOM 795 CA MET A 51 5.539 -0.372 1.053 1.00 0.00 C ATOM 796 C MET A 51 5.511 0.224 2.447 1.00 0.00 C ATOM 797 O MET A 51 6.328 -0.134 3.289 1.00 0.00 O ATOM 798 CB MET A 51 6.316 0.579 0.137 1.00 0.00 C ATOM 799 CG MET A 51 7.778 0.676 0.566 1.00 0.00 C ATOM 800 SD MET A 51 8.560 2.223 0.061 1.00 0.00 S ATOM 801 CE MET A 51 7.524 3.351 1.013 1.00 0.00 C ATOM 0 H MET A 51 4.084 0.051 -0.332 1.00 0.00 H new ATOM 0 HA MET A 51 6.003 -1.357 1.104 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.258 0.227 -0.893 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.859 1.568 0.162 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.840 0.581 1.650 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.332 -0.161 0.140 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.777 4.380 0.758 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.475 3.166 0.780 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.693 3.189 2.078 1.00 0.00 H new ATOM 811 N SER A 52 4.621 1.188 2.665 1.00 0.00 N ATOM 812 CA SER A 52 4.629 1.848 3.956 1.00 0.00 C ATOM 813 C SER A 52 3.895 1.064 5.038 1.00 0.00 C ATOM 814 O SER A 52 4.514 0.468 5.914 1.00 0.00 O ATOM 815 CB SER A 52 4.116 3.280 3.843 1.00 0.00 C ATOM 816 OG SER A 52 4.812 3.972 2.823 1.00 0.00 O ATOM 0 H SER A 52 3.920 1.514 1.999 1.00 0.00 H new ATOM 0 HA SER A 52 5.670 1.887 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.048 3.275 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.244 3.796 4.795 1.00 0.00 H new ATOM 0 HG SER A 52 5.268 4.750 3.208 1.00 0.00 H new ATOM 822 N LEU A 53 2.567 1.104 5.021 1.00 0.00 N ATOM 823 CA LEU A 53 1.788 0.530 6.104 1.00 0.00 C ATOM 824 C LEU A 53 1.608 -0.980 5.978 1.00 0.00 C ATOM 825 O LEU A 53 1.913 -1.732 6.907 1.00 0.00 O ATOM 826 CB LEU A 53 0.457 1.268 6.200 1.00 0.00 C ATOM 827 CG LEU A 53 0.665 2.710 6.680 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.462 3.564 5.699 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.692 3.376 6.815 1.00 0.00 C ATOM 0 H LEU A 53 2.014 1.525 4.274 1.00 0.00 H new ATOM 0 HA LEU A 53 2.340 0.664 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.033 1.272 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.206 0.743 6.888 1.00 0.00 H new ATOM 0 HG LEU A 53 1.214 2.646 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.572 4.572 6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.448 3.123 5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.936 3.609 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.561 4.403 7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.195 3.376 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.296 2.828 7.538 1.00 0.00 H new ATOM 841 N ALA A 54 1.113 -1.428 4.825 1.00 0.00 N ATOM 842 CA ALA A 54 0.837 -2.827 4.549 1.00 0.00 C ATOM 843 C ALA A 54 2.089 -3.701 4.617 1.00 0.00 C ATOM 844 O ALA A 54 1.971 -4.915 4.727 1.00 0.00 O ATOM 845 CB ALA A 54 0.103 -2.957 3.221 1.00 0.00 C ATOM 0 H ALA A 54 0.890 -0.811 4.044 1.00 0.00 H new ATOM 0 HA ALA A 54 0.185 -3.205 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.101 -4.009 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.837 -2.408 3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.721 -2.548 2.422 1.00 0.00 H new ATOM 851 N VAL A 55 3.287 -3.117 4.614 1.00 0.00 N ATOM 852 CA VAL A 55 4.500 -3.893 4.815 1.00 0.00 C ATOM 853 C VAL A 55 4.561 -4.479 6.240 1.00 0.00 C ATOM 854 O VAL A 55 5.392 -5.333 6.543 1.00 0.00 O ATOM 855 CB VAL A 55 5.725 -3.044 4.468 1.00 0.00 C ATOM 856 CG1 VAL A 55 6.020 -2.030 5.571 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.928 -3.966 4.282 1.00 0.00 C ATOM 0 H VAL A 55 3.438 -2.118 4.476 1.00 0.00 H new ATOM 0 HA VAL A 55 4.493 -4.749 4.140 1.00 0.00 H new ATOM 0 HB VAL A 55 5.524 -2.494 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.895 -1.440 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.162 -1.369 5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.213 -2.556 6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.807 -3.371 4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.111 -4.517 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.726 -4.669 3.474 1.00 0.00 H new ATOM 867 N SER A 56 3.669 -4.056 7.140 1.00 0.00 N ATOM 868 CA SER A 56 3.681 -4.541 8.508 1.00 0.00 C ATOM 869 C SER A 56 3.062 -5.936 8.659 1.00 0.00 C ATOM 870 O SER A 56 1.997 -6.066 9.269 1.00 0.00 O ATOM 871 CB SER A 56 2.963 -3.531 9.400 1.00 0.00 C ATOM 872 OG SER A 56 3.438 -2.221 9.145 1.00 0.00 O ATOM 0 H SER A 56 2.933 -3.379 6.939 1.00 0.00 H new ATOM 0 HA SER A 56 4.722 -4.643 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.889 -3.577 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.122 -3.785 10.448 1.00 0.00 H new ATOM 0 HG SER A 56 2.982 -1.855 8.358 1.00 0.00 H new ATOM 878 N THR A 57 3.724 -6.969 8.126 1.00 0.00 N ATOM 879 CA THR A 57 3.323 -8.364 8.278 1.00 0.00 C ATOM 880 C THR A 57 2.861 -8.699 9.705 1.00 0.00 C ATOM 881 O THR A 57 3.650 -8.690 10.647 1.00 0.00 O ATOM 882 CB THR A 57 4.497 -9.275 7.912 1.00 0.00 C ATOM 883 OG1 THR A 57 4.965 -9.017 6.603 1.00 0.00 O ATOM 884 CG2 THR A 57 4.074 -10.735 8.028 1.00 0.00 C ATOM 0 H THR A 57 4.569 -6.852 7.567 1.00 0.00 H new ATOM 0 HA THR A 57 2.477 -8.527 7.610 1.00 0.00 H new ATOM 0 HB THR A 57 5.310 -9.070 8.608 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.447 -9.545 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.914 -11.379 7.766 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.762 -10.943 9.051 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.243 -10.928 7.349 1.00 0.00 H new ATOM 892 N GLY A 58 1.576 -9.022 9.840 1.00 0.00 N ATOM 893 CA GLY A 58 0.910 -9.433 11.064 1.00 0.00 C ATOM 894 C GLY A 58 0.226 -8.279 11.792 1.00 0.00 C ATOM 895 O GLY A 58 -0.141 -8.422 12.954 1.00 0.00 O ATOM 0 H GLY A 58 0.937 -9.001 9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.168 -10.196 10.828 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.640 -9.893 11.730 1.00 0.00 H new ATOM 899 N THR A 59 0.012 -7.142 11.129 1.00 0.00 N ATOM 900 CA THR A 59 -0.685 -6.048 11.790 1.00 0.00 C ATOM 901 C THR A 59 -2.125 -6.028 11.299 1.00 0.00 C ATOM 902 O THR A 59 -2.341 -6.025 10.092 1.00 0.00 O ATOM 903 CB THR A 59 -0.017 -4.704 11.498 1.00 0.00 C ATOM 904 OG1 THR A 59 1.387 -4.795 11.584 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.491 -3.675 12.519 1.00 0.00 C ATOM 0 H THR A 59 0.301 -6.960 10.168 1.00 0.00 H new ATOM 0 HA THR A 59 -0.651 -6.205 12.868 1.00 0.00 H new ATOM 0 HB THR A 59 -0.290 -4.408 10.485 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.724 -5.357 10.855 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.017 -2.715 12.315 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.574 -3.567 12.451 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.221 -4.007 13.522 1.00 0.00 H new ATOM 913 N GLU A 60 -3.113 -6.021 12.192 1.00 0.00 N ATOM 914 CA GLU A 60 -4.506 -6.023 11.772 1.00 0.00 C ATOM 915 C GLU A 60 -4.842 -4.685 11.125 1.00 0.00 C ATOM 916 O GLU A 60 -5.001 -3.671 11.798 1.00 0.00 O ATOM 917 CB GLU A 60 -5.436 -6.339 12.945 1.00 0.00 C ATOM 918 CG GLU A 60 -4.919 -7.512 13.784 1.00 0.00 C ATOM 919 CD GLU A 60 -4.704 -8.754 12.934 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.725 -9.328 12.498 1.00 0.00 O ATOM 921 OE2 GLU A 60 -3.520 -9.097 12.731 1.00 0.00 O ATOM 0 H GLU A 60 -2.973 -6.014 13.202 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.657 -6.811 11.034 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.536 -5.457 13.577 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.431 -6.574 12.567 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.981 -7.232 14.264 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.631 -7.733 14.579 1.00 0.00 H new ATOM 928 N VAL A 61 -4.919 -4.670 9.803 1.00 0.00 N ATOM 929 CA VAL A 61 -5.153 -3.463 9.048 1.00 0.00 C ATOM 930 C VAL A 61 -6.428 -3.609 8.226 1.00 0.00 C ATOM 931 O VAL A 61 -6.695 -4.663 7.646 1.00 0.00 O ATOM 932 CB VAL A 61 -3.927 -3.190 8.174 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.654 -3.140 9.012 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.735 -4.358 7.225 1.00 0.00 C ATOM 0 H VAL A 61 -4.819 -5.505 9.226 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.296 -2.611 9.712 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.093 -2.242 7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.799 -2.945 8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.737 -2.345 9.753 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.514 -4.095 9.519 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.864 -4.176 6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.584 -5.272 7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.620 -4.466 6.597 1.00 0.00 H new ATOM 944 N THR A 62 -7.237 -2.558 8.190 1.00 0.00 N ATOM 945 CA THR A 62 -8.485 -2.568 7.454 1.00 0.00 C ATOM 946 C THR A 62 -8.228 -2.288 5.983 1.00 0.00 C ATOM 947 O THR A 62 -7.770 -1.199 5.637 1.00 0.00 O ATOM 948 CB THR A 62 -9.419 -1.514 8.041 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.298 -1.501 9.447 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.870 -1.809 7.663 1.00 0.00 C ATOM 0 H THR A 62 -7.043 -1.679 8.670 1.00 0.00 H new ATOM 0 HA THR A 62 -8.951 -3.550 7.538 1.00 0.00 H new ATOM 0 HB THR A 62 -9.139 -0.541 7.636 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.188 -1.562 9.853 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.520 -1.046 8.091 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.971 -1.805 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.155 -2.787 8.050 1.00 0.00 H new ATOM 958 N LEU A 63 -8.499 -3.260 5.114 1.00 0.00 N ATOM 959 CA LEU A 63 -8.365 -3.051 3.693 1.00 0.00 C ATOM 960 C LEU A 63 -9.638 -2.374 3.213 1.00 0.00 C ATOM 961 O LEU A 63 -10.726 -2.946 3.267 1.00 0.00 O ATOM 962 CB LEU A 63 -8.111 -4.389 3.016 1.00 0.00 C ATOM 963 CG LEU A 63 -7.522 -4.233 1.619 1.00 0.00 C ATOM 964 CD1 LEU A 63 -8.543 -3.691 0.622 1.00 0.00 C ATOM 965 CD2 LEU A 63 -6.307 -3.310 1.643 1.00 0.00 C ATOM 0 H LEU A 63 -8.811 -4.194 5.378 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.519 -2.410 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.431 -4.980 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.047 -4.944 2.952 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.221 -5.229 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.078 -3.597 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.389 -4.376 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.892 -2.713 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.903 -3.214 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.604 -2.328 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.545 -3.729 2.300 1.00 0.00 H new ATOM 977 N ILE A 64 -9.490 -1.119 2.814 1.00 0.00 N ATOM 978 CA ILE A 64 -10.552 -0.273 2.322 1.00 0.00 C ATOM 979 C ILE A 64 -10.505 -0.195 0.807 1.00 0.00 C ATOM 980 O ILE A 64 -9.489 -0.479 0.179 1.00 0.00 O ATOM 981 CB ILE A 64 -10.328 1.167 2.804 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.933 1.307 4.271 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.573 2.012 2.546 1.00 0.00 C ATOM 984 CD1 ILE A 64 -10.002 2.786 4.634 1.00 0.00 C ATOM 0 H ILE A 64 -8.585 -0.648 2.827 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.494 -0.690 2.677 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.476 1.522 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.604 0.727 4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.927 0.920 4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.400 3.031 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.789 2.024 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.420 1.585 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.724 2.917 5.680 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.314 3.348 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.017 3.152 4.480 1.00 0.00 H new ATOM 996 N ALA A 65 -11.595 0.287 0.235 1.00 0.00 N ATOM 997 CA ALA A 65 -11.699 0.698 -1.133 1.00 0.00 C ATOM 998 C ALA A 65 -12.861 1.626 -1.194 1.00 0.00 C ATOM 999 O ALA A 65 -13.933 1.375 -0.645 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.808 -0.480 -2.096 1.00 0.00 C ATOM 0 H ALA A 65 -12.469 0.404 0.748 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.792 1.205 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.884 -0.109 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.922 -1.109 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.695 -1.066 -1.856 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.557 2.761 -1.790 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.509 3.811 -1.878 1.00 0.00 C ATOM 1008 C GLN A 66 -13.650 4.209 -3.338 1.00 0.00 C ATOM 1009 O GLN A 66 -13.141 5.226 -3.806 1.00 0.00 O ATOM 1010 CB GLN A 66 -13.056 4.839 -0.856 1.00 0.00 C ATOM 1011 CG GLN A 66 -12.225 6.008 -1.364 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.508 7.273 -0.565 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -13.509 7.370 0.150 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -11.657 8.284 -0.684 1.00 0.00 N ATOM 0 H GLN A 66 -11.653 2.965 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.540 3.576 -1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -13.943 5.243 -0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.478 4.322 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.165 5.761 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.445 6.183 -2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.833 8.190 -1.278 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.826 9.155 -0.181 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.261 3.290 -4.080 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.456 3.370 -5.509 1.00 0.00 C ATOM 1025 C GLY A 67 -15.610 2.477 -5.931 1.00 0.00 C ATOM 1026 O GLY A 67 -16.317 1.912 -5.097 1.00 0.00 O ATOM 0 H GLY A 67 -14.647 2.436 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.659 4.401 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.545 3.068 -6.025 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.738 2.315 -7.246 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.698 1.449 -7.903 1.00 0.00 C ATOM 1032 C GLU A 68 -16.714 0.069 -7.255 1.00 0.00 C ATOM 1033 O GLU A 68 -17.773 -0.513 -7.044 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.292 1.302 -9.370 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.221 2.662 -10.067 1.00 0.00 C ATOM 1036 CD GLU A 68 -17.562 3.379 -10.016 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -18.495 2.880 -10.681 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -17.624 4.405 -9.306 1.00 0.00 O ATOM 0 H GLU A 68 -15.143 2.811 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.692 1.887 -7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.323 0.808 -9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -17.010 0.664 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.458 3.278 -9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.918 2.526 -11.105 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.530 -0.470 -6.958 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.430 -1.765 -6.335 1.00 0.00 C ATOM 1047 C ASP A 69 -14.918 -1.525 -4.939 1.00 0.00 C ATOM 1048 O ASP A 69 -13.844 -2.009 -4.613 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.501 -2.675 -7.130 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.713 -2.574 -8.635 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -15.633 -3.260 -9.125 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -13.930 -1.826 -9.262 1.00 0.00 O ATOM 0 H ASP A 69 -14.634 -0.019 -7.144 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.395 -2.271 -6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.467 -2.422 -6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.656 -3.707 -6.815 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.605 -0.708 -4.142 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.180 -0.453 -2.788 1.00 0.00 C ATOM 1059 C GLU A 70 -15.195 -1.764 -2.024 1.00 0.00 C ATOM 1060 O GLU A 70 -14.137 -2.332 -1.769 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.075 0.609 -2.158 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.570 0.449 -2.428 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.354 0.603 -1.137 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.459 -0.424 -0.432 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.824 1.731 -0.877 1.00 0.00 O ATOM 0 H GLU A 70 -16.455 -0.218 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.164 -0.060 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.915 0.602 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.760 1.587 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.898 1.194 -3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.765 -0.530 -2.866 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.394 -2.264 -1.716 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.601 -3.524 -1.030 1.00 0.00 C ATOM 1074 C GLN A 71 -15.819 -4.659 -1.670 1.00 0.00 C ATOM 1075 O GLN A 71 -15.179 -5.435 -0.964 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.091 -3.851 -1.020 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.700 -3.323 0.279 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.068 -3.989 1.498 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.087 -3.443 2.596 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.480 -5.168 1.320 1.00 0.00 N ATOM 0 H GLN A 71 -17.265 -1.785 -1.946 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.234 -3.418 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.583 -3.397 -1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.242 -4.928 -1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -18.559 -2.244 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -19.775 -3.504 0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.477 -5.602 0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.032 -5.638 2.106 1.00 0.00 H new ATOM 1089 N GLU A 72 -15.883 -4.753 -2.998 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.211 -5.798 -3.735 1.00 0.00 C ATOM 1091 C GLU A 72 -13.716 -5.750 -3.445 1.00 0.00 C ATOM 1092 O GLU A 72 -13.110 -6.753 -3.062 1.00 0.00 O ATOM 1093 CB GLU A 72 -15.504 -5.555 -5.219 1.00 0.00 C ATOM 1094 CG GLU A 72 -14.544 -6.306 -6.135 1.00 0.00 C ATOM 1095 CD GLU A 72 -14.691 -7.817 -6.020 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -15.830 -8.259 -5.754 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -13.658 -8.497 -6.199 1.00 0.00 O ATOM 0 H GLU A 72 -16.405 -4.102 -3.584 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.563 -6.788 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.526 -5.862 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.440 -4.487 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.721 -6.004 -7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.520 -6.024 -5.892 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.136 -4.565 -3.629 1.00 0.00 N ATOM 1105 CA ALA A 73 -11.727 -4.355 -3.435 1.00 0.00 C ATOM 1106 C ALA A 73 -11.324 -4.661 -2.001 1.00 0.00 C ATOM 1107 O ALA A 73 -10.513 -5.548 -1.742 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.508 -2.894 -3.779 1.00 0.00 C ATOM 0 H ALA A 73 -13.644 -3.729 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.118 -5.012 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.454 -2.646 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.806 -2.715 -4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.106 -2.270 -3.115 1.00 0.00 H new ATOM 1114 N LEU A 74 -11.918 -3.920 -1.071 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.645 -4.022 0.346 1.00 0.00 C ATOM 1116 C LEU A 74 -11.695 -5.473 0.829 1.00 0.00 C ATOM 1117 O LEU A 74 -10.747 -5.937 1.465 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.596 -3.065 1.063 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.060 -3.466 0.911 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.492 -4.362 2.056 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.938 -2.226 0.934 1.00 0.00 C ATOM 0 H LEU A 74 -12.620 -3.215 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.625 -3.718 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.341 -3.031 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.457 -2.058 0.670 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.166 -3.997 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.539 -4.636 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -13.879 -5.263 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.369 -3.831 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.983 -2.518 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.804 -1.703 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.658 -1.567 0.113 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.754 -6.209 0.470 1.00 0.00 N ATOM 1134 CA GLU A 75 -12.899 -7.590 0.892 1.00 0.00 C ATOM 1135 C GLU A 75 -11.784 -8.484 0.365 1.00 0.00 C ATOM 1136 O GLU A 75 -11.094 -9.130 1.152 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.245 -8.156 0.443 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.411 -7.403 1.079 1.00 0.00 C ATOM 1139 CD GLU A 75 -15.417 -7.503 2.598 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -14.615 -8.297 3.137 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.241 -6.775 3.192 1.00 0.00 O ATOM 0 H GLU A 75 -13.517 -5.863 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.841 -7.583 1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.322 -8.097 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.304 -9.211 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.362 -6.354 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.349 -7.798 0.689 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.602 -8.551 -0.958 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.631 -9.505 -1.472 1.00 0.00 C ATOM 1150 C LYS A 76 -9.214 -9.152 -1.062 1.00 0.00 C ATOM 1151 O LYS A 76 -8.416 -10.038 -0.758 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.740 -9.676 -2.983 1.00 0.00 C ATOM 1153 CG LYS A 76 -10.785 -8.355 -3.739 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.775 -8.683 -5.230 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.362 -8.770 -5.817 1.00 0.00 C ATOM 1156 NZ LYS A 76 -8.609 -9.915 -5.280 1.00 0.00 N ATOM 0 H LYS A 76 -12.088 -7.987 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.873 -10.466 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.891 -10.260 -3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.639 -10.248 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.681 -7.792 -3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.929 -7.733 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.288 -9.631 -5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.339 -7.921 -5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.425 -8.855 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.822 -7.848 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.801 -10.122 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.262 -9.686 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.231 -10.747 -5.232 1.00 0.00 H new ATOM 1170 N LEU A 77 -8.891 -7.863 -1.040 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.553 -7.462 -0.672 1.00 0.00 C ATOM 1172 C LEU A 77 -7.291 -7.768 0.798 1.00 0.00 C ATOM 1173 O LEU A 77 -6.273 -8.384 1.103 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.304 -6.007 -1.046 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.156 -5.867 -2.563 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -6.164 -6.901 -3.048 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -8.422 -6.200 -3.332 1.00 0.00 C ATOM 0 H LEU A 77 -9.527 -7.099 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.829 -8.046 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.130 -5.388 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.402 -5.646 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.869 -4.829 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.047 -6.814 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.201 -6.736 -2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.528 -7.898 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.242 -6.078 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.711 -7.231 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.224 -5.530 -3.021 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.193 -7.383 1.711 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.003 -7.726 3.118 1.00 0.00 C ATOM 1191 C ALA A 78 -7.938 -9.243 3.281 1.00 0.00 C ATOM 1192 O ALA A 78 -7.144 -9.750 4.071 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.097 -7.124 3.997 1.00 0.00 C ATOM 0 H ALA A 78 -9.037 -6.849 1.505 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.057 -7.297 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.922 -7.401 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.083 -6.038 3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.068 -7.503 3.679 1.00 0.00 H new ATOM 1199 N ALA A 79 -8.748 -9.972 2.508 1.00 0.00 N ATOM 1200 CA ALA A 79 -8.724 -11.424 2.487 1.00 0.00 C ATOM 1201 C ALA A 79 -7.295 -11.884 2.230 1.00 0.00 C ATOM 1202 O ALA A 79 -6.686 -12.604 3.024 1.00 0.00 O ATOM 1203 CB ALA A 79 -9.596 -11.897 1.328 1.00 0.00 C ATOM 0 H ALA A 79 -9.439 -9.563 1.879 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.087 -11.825 3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.594 -12.986 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.616 -11.541 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.202 -11.502 0.392 1.00 0.00 H new ATOM 1209 N TYR A 80 -6.773 -11.400 1.104 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.445 -11.676 0.607 1.00 0.00 C ATOM 1211 C TYR A 80 -4.362 -11.427 1.645 1.00 0.00 C ATOM 1212 O TYR A 80 -3.451 -12.236 1.795 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.213 -10.740 -0.575 1.00 0.00 C ATOM 1214 CG TYR A 80 -3.787 -10.780 -1.088 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -2.847 -9.898 -0.521 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.336 -11.916 -1.784 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -1.470 -10.166 -0.616 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -1.958 -12.167 -1.906 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.024 -11.295 -1.321 1.00 0.00 C ATOM 1220 OH TYR A 80 0.305 -11.582 -1.398 1.00 0.00 O ATOM 0 H TYR A 80 -7.298 -10.776 0.491 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.385 -12.729 0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -5.892 -11.009 -1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.459 -9.720 -0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.186 -9.009 -0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.049 -12.596 -2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.757 -9.504 -0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.616 -13.034 -2.452 1.00 0.00 H new ATOM 0 HH TYR A 80 0.433 -12.399 -1.923 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.421 -10.279 2.317 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.352 -9.896 3.217 1.00 0.00 C ATOM 1232 C VAL A 81 -3.255 -10.838 4.395 1.00 0.00 C ATOM 1233 O VAL A 81 -2.190 -10.956 4.983 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.552 -8.477 3.743 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.037 -7.573 2.625 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -4.599 -8.494 4.848 1.00 0.00 C ATOM 0 H VAL A 81 -5.189 -9.611 2.253 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.429 -9.944 2.640 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.603 -8.103 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.177 -6.563 3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.299 -7.557 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.984 -7.949 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.745 -7.482 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.541 -8.872 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.262 -9.140 5.659 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.348 -11.492 4.770 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.302 -12.199 6.018 1.00 0.00 C ATOM 1248 C GLN A 82 -4.470 -13.707 5.932 1.00 0.00 C ATOM 1249 O GLN A 82 -3.918 -14.437 6.745 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.445 -11.621 6.818 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.789 -12.198 6.423 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.804 -11.779 7.466 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.457 -11.451 8.599 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -9.060 -11.740 7.063 1.00 0.00 N ATOM 0 H GLN A 82 -5.226 -11.542 4.253 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.312 -12.070 6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.272 -11.808 7.878 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.466 -10.539 6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.084 -11.837 5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.733 -13.285 6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.300 -12.022 6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.791 -11.428 7.702 1.00 0.00 H new ATOM 1263 N GLU A 83 -5.273 -14.135 4.962 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.782 -15.476 4.752 1.00 0.00 C ATOM 1265 C GLU A 83 -4.840 -16.609 5.165 1.00 0.00 C ATOM 1266 O GLU A 83 -5.137 -17.347 6.100 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.228 -15.515 3.293 1.00 0.00 C ATOM 1268 CG GLU A 83 -7.301 -16.570 3.014 1.00 0.00 C ATOM 1269 CD GLU A 83 -6.758 -17.992 3.064 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -5.666 -18.207 2.496 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -7.452 -18.837 3.668 1.00 0.00 O ATOM 0 H GLU A 83 -5.610 -13.493 4.244 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.618 -15.673 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.611 -14.534 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.362 -15.712 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.104 -16.467 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.737 -16.387 2.032 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.734 -16.775 4.446 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.802 -17.856 4.709 1.00 0.00 C ATOM 1280 C GLU A 84 -1.655 -17.356 5.596 1.00 0.00 C ATOM 1281 O GLU A 84 -1.816 -17.053 6.776 1.00 0.00 O ATOM 1282 CB GLU A 84 -2.342 -18.429 3.355 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.834 -17.365 2.363 1.00 0.00 C ATOM 1284 CD GLU A 84 -2.936 -16.873 1.433 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -3.090 -17.490 0.359 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -3.595 -15.883 1.820 1.00 0.00 O ATOM 0 H GLU A 84 -3.464 -16.168 3.672 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.271 -18.666 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.548 -19.155 3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.173 -18.968 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.424 -16.520 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.020 -17.782 1.770 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.481 -17.266 4.989 1.00 0.00 N ATOM 1294 CA VAL A 85 0.746 -16.648 5.452 1.00 0.00 C ATOM 1295 C VAL A 85 1.271 -16.094 4.136 1.00 0.00 C ATOM 1296 O VAL A 85 1.027 -16.727 3.062 1.00 0.00 O ATOM 1297 CB VAL A 85 1.765 -17.684 6.073 1.00 0.00 C ATOM 1298 CG1 VAL A 85 1.234 -18.559 7.242 1.00 0.00 C ATOM 1299 CG2 VAL A 85 2.345 -18.686 5.045 1.00 0.00 C ATOM 1300 OXT VAL A 85 1.941 -15.016 4.111 1.00 0.00 O ATOM 0 H VAL A 85 -0.355 -17.669 4.060 1.00 0.00 H new ATOM 0 HA VAL A 85 0.601 -15.922 6.252 1.00 0.00 H new ATOM 0 HB VAL A 85 2.523 -16.997 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.023 -19.229 7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.923 -17.916 8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.383 -19.147 6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.035 -19.364 5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.533 -19.260 4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.875 -18.140 4.264 1.00 0.00 H new