USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 817 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 67 HIS : no HE2:sc= -0.727 K(o=-2.7,f=-20!) USER MOD Set 1.2: A 80 MET CE :methyl -165:sc= -1.95 (180deg=0) USER MOD Set 2.1: A 63 ASN :FLIP amide:sc= -1.8 F(o=-7.9!,f=-7.2) USER MOD Set 2.2: A 74 TYR OH : rot 40:sc= -5.39! USER MOD Set 3.1: A 40 SER OG : rot 133:sc= -2.07! USER MOD Set 3.2: A 52 ASN : amide:sc= -0.0589 K(o=-5.5,f=-7.4!) USER MOD Set 3.3: A 56 ASN : amide:sc= -3.33! C(o=-5.5!,f=-7.4!) USER MOD Set 4.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 78 THR OG1 : rot 180:sc= -0.145 USER MOD Set 5.1: A 19 THR OG1 : rot -140:sc= -1.74! USER MOD Set 5.2: A 31 ASN :FLIP amide:sc= -8.02! C(o=-16!,f=-9.8!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -37:sc= 0.659 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -24:sc= 0.955 USER MOD Single : A 14 CYS SG : rot -116:sc= -3.06! USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -1.85! C(o=-1.8!,f=-11!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.14! C(o=-2.1!,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0101) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 39 HIS : no HD1:sc= -1.86 X(o=-1.9,f=-2.2!) USER MOD Single : A 42 GLN : amide:sc= -0.827 K(o=-0.83,f=-3.9!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 60:sc= -1.26 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.796 F(o=-1.4!,f=-0.8) USER MOD Single : A 64 MET CE :methyl -124:sc=-0.00344 (180deg=-2.08) USER MOD Single : A 65 SER OG : rot -68:sc= 1.21 USER MOD Single : A 69 THR OG1 : rot 65:sc= 0.97 USER MOD Single : A 70 ASN :FLIP amide:sc= 0.25 F(o=-1.7!,f=0.25) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= -0.291 (180deg=-1.32!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 78:sc= 0.837 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 143:sc= -1.17! (180deg=-2.01!) USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0712) USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -15.438 -5.567 2.115 1.00 0.00 N ATOM 33 CA PHE A -3 -14.257 -5.316 2.990 1.00 0.00 C ATOM 34 C PHE A -3 -14.675 -5.427 4.456 1.00 0.00 C ATOM 35 O PHE A -3 -15.628 -4.810 4.889 1.00 0.00 O ATOM 36 CB PHE A -3 -13.714 -3.911 2.716 1.00 0.00 C ATOM 37 CG PHE A -3 -12.493 -3.662 3.569 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.256 -4.201 3.196 1.00 0.00 C ATOM 39 CD2 PHE A -3 -12.600 -2.892 4.733 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.125 -3.970 3.989 1.00 0.00 C ATOM 41 CE2 PHE A -3 -11.468 -2.660 5.525 1.00 0.00 C ATOM 42 CZ PHE A -3 -10.231 -3.199 5.153 1.00 0.00 C ATOM 0 H1 PHE A -3 -15.153 -5.491 1.118 1.00 0.00 H new ATOM 0 H2 PHE A -3 -15.809 -6.521 2.298 1.00 0.00 H new ATOM 0 H3 PHE A -3 -16.177 -4.864 2.318 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.482 -6.053 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.460 -3.808 1.661 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -14.479 -3.166 2.933 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.174 -4.794 2.297 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -13.555 -2.477 5.020 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.171 -4.387 3.703 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -11.550 -2.065 6.423 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.358 -3.020 5.764 1.00 0.00 H new ATOM 52 N LYS A -2 -13.970 -6.210 5.226 1.00 0.00 N ATOM 53 CA LYS A -2 -14.328 -6.359 6.665 1.00 0.00 C ATOM 54 C LYS A -2 -13.571 -5.316 7.488 1.00 0.00 C ATOM 55 O LYS A -2 -12.378 -5.143 7.343 1.00 0.00 O ATOM 56 CB LYS A -2 -13.946 -7.761 7.143 1.00 0.00 C ATOM 57 CG LYS A -2 -14.594 -8.032 8.502 1.00 0.00 C ATOM 58 CD LYS A -2 -13.983 -9.293 9.119 1.00 0.00 C ATOM 59 CE LYS A -2 -14.355 -10.515 8.275 1.00 0.00 C ATOM 60 NZ LYS A -2 -14.670 -11.660 9.173 1.00 0.00 N ATOM 0 H LYS A -2 -13.162 -6.753 4.921 1.00 0.00 H new ATOM 0 HA LYS A -2 -15.401 -6.213 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.273 -8.506 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -12.862 -7.847 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -14.442 -7.180 9.165 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -15.670 -8.157 8.385 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.899 -9.194 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -14.343 -9.421 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -15.214 -10.287 7.644 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.531 -10.776 7.610 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -14.923 -12.491 8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -13.839 -11.882 9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -15.469 -11.408 9.789 1.00 0.00 H new ATOM 74 N ALA A -1 -14.255 -4.619 8.355 1.00 0.00 N ATOM 75 CA ALA A -1 -13.567 -3.592 9.186 1.00 0.00 C ATOM 76 C ALA A -1 -12.328 -4.213 9.831 1.00 0.00 C ATOM 77 O ALA A -1 -12.413 -4.897 10.833 1.00 0.00 O ATOM 78 CB ALA A -1 -14.516 -3.096 10.277 1.00 0.00 C ATOM 0 H ALA A -1 -15.256 -4.716 8.523 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.271 -2.752 8.557 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.011 -2.345 10.884 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.401 -2.656 9.817 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.813 -3.933 10.909 1.00 0.00 H new ATOM 84 N GLY A 1 -11.177 -3.984 9.264 1.00 0.00 N ATOM 85 CA GLY A 1 -9.933 -4.565 9.841 1.00 0.00 C ATOM 86 C GLY A 1 -9.647 -3.923 11.199 1.00 0.00 C ATOM 87 O GLY A 1 -9.935 -2.764 11.422 1.00 0.00 O ATOM 0 H GLY A 1 -11.044 -3.419 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.042 -5.644 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.094 -4.398 9.165 1.00 0.00 H new ATOM 91 N SER A 2 -9.077 -4.666 12.109 1.00 0.00 N ATOM 92 CA SER A 2 -8.768 -4.095 13.450 1.00 0.00 C ATOM 93 C SER A 2 -7.885 -2.860 13.275 1.00 0.00 C ATOM 94 O SER A 2 -7.969 -1.911 14.031 1.00 0.00 O ATOM 95 CB SER A 2 -8.029 -5.137 14.290 1.00 0.00 C ATOM 96 OG SER A 2 -8.805 -6.326 14.353 1.00 0.00 O ATOM 0 H SER A 2 -8.812 -5.643 11.981 1.00 0.00 H new ATOM 0 HA SER A 2 -9.693 -3.817 13.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.054 -5.349 13.852 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.851 -4.752 15.294 1.00 0.00 H new ATOM 0 HG SER A 2 -8.333 -6.997 14.890 1.00 0.00 H new ATOM 102 N ALA A 3 -7.041 -2.864 12.281 1.00 0.00 N ATOM 103 CA ALA A 3 -6.154 -1.692 12.048 1.00 0.00 C ATOM 104 C ALA A 3 -5.015 -1.692 13.068 1.00 0.00 C ATOM 105 O ALA A 3 -3.915 -1.261 12.780 1.00 0.00 O ATOM 106 CB ALA A 3 -6.968 -0.407 12.191 1.00 0.00 C ATOM 0 H ALA A 3 -6.928 -3.631 11.618 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.734 -1.751 11.044 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.322 0.454 12.021 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.776 -0.405 11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.388 -0.352 13.195 1.00 0.00 H new ATOM 112 N LYS A 4 -5.261 -2.171 14.257 1.00 0.00 N ATOM 113 CA LYS A 4 -4.179 -2.188 15.281 1.00 0.00 C ATOM 114 C LYS A 4 -3.008 -3.025 14.762 1.00 0.00 C ATOM 115 O LYS A 4 -1.875 -2.586 14.752 1.00 0.00 O ATOM 116 CB LYS A 4 -4.711 -2.805 16.577 1.00 0.00 C ATOM 117 CG LYS A 4 -5.823 -1.919 17.144 1.00 0.00 C ATOM 118 CD LYS A 4 -6.274 -2.470 18.498 1.00 0.00 C ATOM 119 CE LYS A 4 -7.473 -1.667 19.003 1.00 0.00 C ATOM 120 NZ LYS A 4 -8.673 -2.548 19.063 1.00 0.00 N ATOM 0 H LYS A 4 -6.158 -2.549 14.562 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.844 -1.169 15.476 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.092 -3.808 16.385 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.904 -2.904 17.303 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.465 -0.896 17.257 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.666 -1.888 16.453 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.542 -3.522 18.403 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.456 -2.413 19.216 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.260 -1.258 19.990 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.662 -0.822 18.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.488 -2.001 19.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.880 -2.918 18.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.490 -3.340 19.711 1.00 0.00 H new ATOM 134 N LYS A 5 -3.274 -4.224 14.318 1.00 0.00 N ATOM 135 CA LYS A 5 -2.176 -5.076 13.785 1.00 0.00 C ATOM 136 C LYS A 5 -1.609 -4.429 12.522 1.00 0.00 C ATOM 137 O LYS A 5 -0.415 -4.419 12.295 1.00 0.00 O ATOM 138 CB LYS A 5 -2.724 -6.465 13.447 1.00 0.00 C ATOM 139 CG LYS A 5 -3.198 -7.156 14.727 1.00 0.00 C ATOM 140 CD LYS A 5 -3.635 -8.585 14.406 1.00 0.00 C ATOM 141 CE LYS A 5 -4.217 -9.237 15.662 1.00 0.00 C ATOM 142 NZ LYS A 5 -5.641 -8.825 15.820 1.00 0.00 N ATOM 0 H LYS A 5 -4.202 -4.648 14.302 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.389 -5.172 14.533 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.550 -6.379 12.741 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.952 -7.064 12.963 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.396 -7.167 15.465 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.027 -6.601 15.166 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.379 -8.578 13.609 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.785 -9.164 14.044 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.147 -10.322 15.587 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.642 -8.940 16.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.038 -9.268 16.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.695 -7.790 15.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.185 -9.129 14.987 1.00 0.00 H new ATOM 156 N GLY A 6 -2.464 -3.886 11.700 1.00 0.00 N ATOM 157 CA GLY A 6 -1.992 -3.232 10.449 1.00 0.00 C ATOM 158 C GLY A 6 -1.092 -2.049 10.799 1.00 0.00 C ATOM 159 O GLY A 6 -0.143 -1.750 10.100 1.00 0.00 O ATOM 0 H GLY A 6 -3.474 -3.868 11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.446 -3.949 9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.844 -2.892 9.860 1.00 0.00 H new ATOM 163 N ALA A 7 -1.380 -1.367 11.874 1.00 0.00 N ATOM 164 CA ALA A 7 -0.537 -0.202 12.258 1.00 0.00 C ATOM 165 C ALA A 7 0.900 -0.675 12.468 1.00 0.00 C ATOM 166 O ALA A 7 1.839 -0.076 11.983 1.00 0.00 O ATOM 167 CB ALA A 7 -1.069 0.410 13.554 1.00 0.00 C ATOM 0 H ALA A 7 -2.160 -1.566 12.500 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.566 0.549 11.469 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.451 1.263 13.834 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.097 0.740 13.405 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.039 -0.336 14.348 1.00 0.00 H new ATOM 173 N THR A 8 1.079 -1.755 13.176 1.00 0.00 N ATOM 174 CA THR A 8 2.453 -2.271 13.401 1.00 0.00 C ATOM 175 C THR A 8 2.948 -2.942 12.119 1.00 0.00 C ATOM 176 O THR A 8 4.099 -2.820 11.750 1.00 0.00 O ATOM 177 CB THR A 8 2.426 -3.292 14.541 1.00 0.00 C ATOM 178 OG1 THR A 8 1.664 -4.421 14.145 1.00 0.00 O ATOM 179 CG2 THR A 8 1.797 -2.657 15.781 1.00 0.00 C ATOM 0 H THR A 8 0.333 -2.300 13.607 1.00 0.00 H new ATOM 0 HA THR A 8 3.122 -1.452 13.666 1.00 0.00 H new ATOM 0 HB THR A 8 3.444 -3.605 14.774 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.906 -4.128 13.597 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.778 -3.385 16.592 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.385 -1.791 16.084 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.779 -2.342 15.552 1.00 0.00 H new ATOM 187 N LEU A 9 2.084 -3.636 11.427 1.00 0.00 N ATOM 188 CA LEU A 9 2.509 -4.294 10.161 1.00 0.00 C ATOM 189 C LEU A 9 2.992 -3.201 9.212 1.00 0.00 C ATOM 190 O LEU A 9 4.009 -3.321 8.559 1.00 0.00 O ATOM 191 CB LEU A 9 1.309 -5.026 9.545 1.00 0.00 C ATOM 192 CG LEU A 9 1.786 -6.179 8.653 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.843 -5.679 7.667 1.00 0.00 C ATOM 194 CD2 LEU A 9 2.392 -7.283 9.522 1.00 0.00 C ATOM 0 H LEU A 9 1.107 -3.774 11.684 1.00 0.00 H new ATOM 0 HA LEU A 9 3.305 -5.016 10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.665 -5.412 10.336 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.711 -4.328 8.959 1.00 0.00 H new ATOM 0 HG LEU A 9 0.934 -6.571 8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.175 -6.506 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.415 -4.896 7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.694 -5.278 8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.730 -8.102 8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.238 -6.883 10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.639 -7.652 10.219 1.00 0.00 H new ATOM 206 N PHE A 10 2.272 -2.117 9.159 1.00 0.00 N ATOM 207 CA PHE A 10 2.674 -0.983 8.288 1.00 0.00 C ATOM 208 C PHE A 10 3.996 -0.414 8.810 1.00 0.00 C ATOM 209 O PHE A 10 4.924 -0.163 8.066 1.00 0.00 O ATOM 210 CB PHE A 10 1.586 0.094 8.353 1.00 0.00 C ATOM 211 CG PHE A 10 1.905 1.218 7.398 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.547 1.117 6.048 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.551 2.367 7.866 1.00 0.00 C ATOM 214 CE1 PHE A 10 1.842 2.165 5.167 1.00 0.00 C ATOM 215 CE2 PHE A 10 2.843 3.414 6.987 1.00 0.00 C ATOM 216 CZ PHE A 10 2.490 3.313 5.637 1.00 0.00 C ATOM 0 H PHE A 10 1.413 -1.968 9.688 1.00 0.00 H new ATOM 0 HA PHE A 10 2.799 -1.314 7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.618 -0.341 8.103 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.508 0.482 9.369 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.044 0.232 5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.825 2.445 8.908 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.569 2.087 4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.341 4.301 7.350 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.718 4.121 4.957 1.00 0.00 H new ATOM 226 N LYS A 11 4.073 -0.212 10.097 1.00 0.00 N ATOM 227 CA LYS A 11 5.313 0.340 10.711 1.00 0.00 C ATOM 228 C LYS A 11 6.481 -0.629 10.509 1.00 0.00 C ATOM 229 O LYS A 11 7.606 -0.225 10.281 1.00 0.00 O ATOM 230 CB LYS A 11 5.082 0.530 12.212 1.00 0.00 C ATOM 231 CG LYS A 11 6.243 1.329 12.811 1.00 0.00 C ATOM 232 CD LYS A 11 6.043 1.465 14.321 1.00 0.00 C ATOM 233 CE LYS A 11 7.107 2.400 14.896 1.00 0.00 C ATOM 234 NZ LYS A 11 7.709 1.782 16.111 1.00 0.00 N ATOM 0 H LYS A 11 3.320 -0.408 10.757 1.00 0.00 H new ATOM 0 HA LYS A 11 5.552 1.293 10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.141 1.053 12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.002 -0.439 12.704 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.189 0.829 12.602 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.296 2.315 12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.048 1.856 14.533 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.109 0.486 14.797 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.880 2.590 14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.662 3.363 15.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.433 2.418 16.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.968 1.622 16.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.147 0.874 15.858 1.00 0.00 H new ATOM 248 N THR A 12 6.228 -1.901 10.624 1.00 0.00 N ATOM 249 CA THR A 12 7.323 -2.903 10.479 1.00 0.00 C ATOM 250 C THR A 12 7.812 -2.993 9.029 1.00 0.00 C ATOM 251 O THR A 12 8.964 -3.289 8.783 1.00 0.00 O ATOM 252 CB THR A 12 6.813 -4.276 10.923 1.00 0.00 C ATOM 253 OG1 THR A 12 5.771 -4.695 10.052 1.00 0.00 O ATOM 254 CG2 THR A 12 6.281 -4.187 12.354 1.00 0.00 C ATOM 0 H THR A 12 5.306 -2.294 10.813 1.00 0.00 H new ATOM 0 HA THR A 12 8.159 -2.586 11.103 1.00 0.00 H new ATOM 0 HB THR A 12 7.630 -4.997 10.887 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.358 -3.910 9.635 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.918 -5.165 12.669 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.081 -3.865 13.020 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.464 -3.467 12.394 1.00 0.00 H new ATOM 262 N ARG A 13 6.962 -2.770 8.063 1.00 0.00 N ATOM 263 CA ARG A 13 7.429 -2.885 6.650 1.00 0.00 C ATOM 264 C ARG A 13 6.661 -1.929 5.732 1.00 0.00 C ATOM 265 O ARG A 13 6.077 -2.346 4.752 1.00 0.00 O ATOM 266 CB ARG A 13 7.211 -4.323 6.165 1.00 0.00 C ATOM 267 CG ARG A 13 8.118 -5.275 6.948 1.00 0.00 C ATOM 268 CD ARG A 13 8.011 -6.682 6.356 1.00 0.00 C ATOM 269 NE ARG A 13 6.585 -7.116 6.363 1.00 0.00 N ATOM 270 CZ ARG A 13 6.291 -8.387 6.352 1.00 0.00 C ATOM 271 NH1 ARG A 13 7.244 -9.279 6.338 1.00 0.00 N ATOM 272 NH2 ARG A 13 5.042 -8.768 6.356 1.00 0.00 N ATOM 0 H ARG A 13 5.981 -2.518 8.186 1.00 0.00 H new ATOM 0 HA ARG A 13 8.487 -2.623 6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.167 -4.608 6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.427 -4.394 5.099 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.151 -4.928 6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.829 -5.288 7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.400 -6.690 5.338 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.617 -7.379 6.935 1.00 0.00 H new ATOM 0 HE ARG A 13 5.840 -6.420 6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.220 -8.983 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.013 -10.272 6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.297 -8.072 6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.812 -9.762 6.347 1.00 0.00 H new ATOM 286 N CYS A 14 6.661 -0.654 6.018 1.00 0.00 N ATOM 287 CA CYS A 14 5.931 0.290 5.122 1.00 0.00 C ATOM 288 C CYS A 14 6.189 1.741 5.543 1.00 0.00 C ATOM 289 O CYS A 14 6.528 2.578 4.731 1.00 0.00 O ATOM 290 CB CYS A 14 4.432 -0.005 5.194 1.00 0.00 C ATOM 291 SG CYS A 14 3.640 0.506 3.647 1.00 0.00 S ATOM 0 H CYS A 14 7.127 -0.230 6.820 1.00 0.00 H new ATOM 0 HA CYS A 14 6.288 0.156 4.101 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.268 -1.069 5.365 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.986 0.525 6.036 1.00 0.00 H new ATOM 0 HG CYS A 14 2.793 1.462 3.888 1.00 0.00 H new ATOM 296 N LEU A 15 6.021 2.048 6.797 1.00 0.00 N ATOM 297 CA LEU A 15 6.244 3.450 7.260 1.00 0.00 C ATOM 298 C LEU A 15 7.663 3.902 6.902 1.00 0.00 C ATOM 299 O LEU A 15 7.890 5.045 6.559 1.00 0.00 O ATOM 300 CB LEU A 15 6.052 3.522 8.779 1.00 0.00 C ATOM 301 CG LEU A 15 6.190 4.971 9.267 1.00 0.00 C ATOM 302 CD1 LEU A 15 4.906 5.751 8.976 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.442 4.966 10.774 1.00 0.00 C ATOM 0 H LEU A 15 5.739 1.391 7.524 1.00 0.00 H new ATOM 0 HA LEU A 15 5.527 4.107 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.070 3.133 9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.790 2.892 9.276 1.00 0.00 H new ATOM 0 HG LEU A 15 7.021 5.447 8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.016 6.777 9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.717 5.753 7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.069 5.279 9.491 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.541 5.992 11.130 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.605 4.486 11.281 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.359 4.417 10.988 1.00 0.00 H new ATOM 315 N GLN A 16 8.620 3.024 6.992 1.00 0.00 N ATOM 316 CA GLN A 16 10.020 3.420 6.667 1.00 0.00 C ATOM 317 C GLN A 16 10.085 3.983 5.247 1.00 0.00 C ATOM 318 O GLN A 16 10.847 4.886 4.962 1.00 0.00 O ATOM 319 CB GLN A 16 10.930 2.195 6.767 1.00 0.00 C ATOM 320 CG GLN A 16 10.960 1.698 8.213 1.00 0.00 C ATOM 321 CD GLN A 16 11.837 0.447 8.306 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.132 -0.176 7.306 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.268 0.052 9.473 1.00 0.00 N ATOM 0 H GLN A 16 8.496 2.052 7.275 1.00 0.00 H new ATOM 0 HA GLN A 16 10.349 4.183 7.372 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.569 1.406 6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.937 2.449 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.349 2.477 8.868 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.949 1.472 8.552 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.020 0.576 10.312 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.853 -0.780 9.546 1.00 0.00 H new ATOM 332 N CYS A 17 9.302 3.453 4.349 1.00 0.00 N ATOM 333 CA CYS A 17 9.333 3.954 2.945 1.00 0.00 C ATOM 334 C CYS A 17 8.194 4.947 2.699 1.00 0.00 C ATOM 335 O CYS A 17 8.383 5.975 2.080 1.00 0.00 O ATOM 336 CB CYS A 17 9.172 2.779 1.988 1.00 0.00 C ATOM 337 SG CYS A 17 10.630 1.711 2.078 1.00 0.00 S ATOM 0 H CYS A 17 8.642 2.695 4.526 1.00 0.00 H new ATOM 0 HA CYS A 17 10.286 4.456 2.778 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.277 2.211 2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.039 3.143 0.969 1.00 0.00 H new ATOM 0 HG CYS A 17 10.486 0.710 1.261 1.00 0.00 H new ATOM 342 N HIS A 18 7.011 4.642 3.159 1.00 0.00 N ATOM 343 CA HIS A 18 5.864 5.564 2.925 1.00 0.00 C ATOM 344 C HIS A 18 5.550 6.346 4.202 1.00 0.00 C ATOM 345 O HIS A 18 5.301 5.778 5.246 1.00 0.00 O ATOM 346 CB HIS A 18 4.637 4.746 2.509 1.00 0.00 C ATOM 347 CG HIS A 18 4.826 4.224 1.113 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.641 5.017 -0.014 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.166 2.984 0.646 1.00 0.00 C ATOM 350 CE1 HIS A 18 4.868 4.244 -1.096 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.188 3.001 -0.741 1.00 0.00 N ATOM 0 H HIS A 18 6.790 3.797 3.685 1.00 0.00 H new ATOM 0 HA HIS A 18 6.123 6.268 2.134 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.489 3.917 3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.741 5.365 2.558 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.381 6.003 -0.021 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.384 2.124 1.262 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.799 4.588 -2.117 1.00 0.00 H new ATOM 359 N THR A 19 5.556 7.649 4.123 1.00 0.00 N ATOM 360 CA THR A 19 5.257 8.472 5.330 1.00 0.00 C ATOM 361 C THR A 19 3.742 8.615 5.481 1.00 0.00 C ATOM 362 O THR A 19 3.234 8.841 6.559 1.00 0.00 O ATOM 363 CB THR A 19 5.881 9.861 5.170 1.00 0.00 C ATOM 364 OG1 THR A 19 5.056 10.653 4.326 1.00 0.00 O ATOM 365 CG2 THR A 19 7.272 9.737 4.545 1.00 0.00 C ATOM 0 H THR A 19 5.755 8.179 3.275 1.00 0.00 H new ATOM 0 HA THR A 19 5.672 7.986 6.213 1.00 0.00 H new ATOM 0 HB THR A 19 5.967 10.331 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.618 11.189 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.711 10.729 4.434 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.907 9.129 5.189 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.190 9.265 3.566 1.00 0.00 H new ATOM 373 N VAL A 20 3.018 8.489 4.402 1.00 0.00 N ATOM 374 CA VAL A 20 1.533 8.626 4.462 1.00 0.00 C ATOM 375 C VAL A 20 1.149 9.803 5.368 1.00 0.00 C ATOM 376 O VAL A 20 0.204 9.732 6.129 1.00 0.00 O ATOM 377 CB VAL A 20 0.896 7.323 4.979 1.00 0.00 C ATOM 378 CG1 VAL A 20 1.345 7.021 6.414 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.627 7.464 4.948 1.00 0.00 C ATOM 0 H VAL A 20 3.394 8.295 3.474 1.00 0.00 H new ATOM 0 HA VAL A 20 1.158 8.820 3.457 1.00 0.00 H new ATOM 0 HB VAL A 20 1.216 6.502 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.880 6.096 6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.429 6.913 6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.045 7.839 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.085 6.545 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.928 8.297 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.954 7.651 3.925 1.00 0.00 H new ATOM 389 N GLU A 21 1.863 10.897 5.277 1.00 0.00 N ATOM 390 CA GLU A 21 1.528 12.084 6.118 1.00 0.00 C ATOM 391 C GLU A 21 0.752 13.096 5.273 1.00 0.00 C ATOM 392 O GLU A 21 0.826 13.091 4.061 1.00 0.00 O ATOM 393 CB GLU A 21 2.807 12.750 6.633 1.00 0.00 C ATOM 394 CG GLU A 21 3.582 11.780 7.524 1.00 0.00 C ATOM 395 CD GLU A 21 4.787 12.498 8.133 1.00 0.00 C ATOM 396 OE1 GLU A 21 5.055 13.615 7.723 1.00 0.00 O ATOM 397 OE2 GLU A 21 5.423 11.918 8.998 1.00 0.00 O ATOM 0 H GLU A 21 2.663 11.018 4.656 1.00 0.00 H new ATOM 0 HA GLU A 21 0.927 11.756 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.428 13.060 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.557 13.651 7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.935 11.399 8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.914 10.920 6.942 1.00 0.00 H new ATOM 404 N LYS A 22 0.012 13.967 5.902 1.00 0.00 N ATOM 405 CA LYS A 22 -0.760 14.981 5.129 1.00 0.00 C ATOM 406 C LYS A 22 0.209 15.967 4.475 1.00 0.00 C ATOM 407 O LYS A 22 1.225 16.322 5.039 1.00 0.00 O ATOM 408 CB LYS A 22 -1.701 15.738 6.064 1.00 0.00 C ATOM 409 CG LYS A 22 -2.590 16.671 5.239 1.00 0.00 C ATOM 410 CD LYS A 22 -3.604 17.355 6.157 1.00 0.00 C ATOM 411 CE LYS A 22 -2.877 18.306 7.110 1.00 0.00 C ATOM 412 NZ LYS A 22 -3.833 19.329 7.617 1.00 0.00 N ATOM 0 H LYS A 22 -0.092 14.021 6.915 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.346 14.478 4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.315 15.036 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.126 16.313 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.979 17.419 4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.108 16.106 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.333 17.907 5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.157 16.607 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.451 17.747 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.048 18.791 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.339 19.975 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.220 19.869 6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.609 18.858 8.124 1.00 0.00 H new ATOM 426 N GLY A 23 -0.098 16.410 3.289 1.00 0.00 N ATOM 427 CA GLY A 23 0.803 17.372 2.592 1.00 0.00 C ATOM 428 C GLY A 23 1.695 16.612 1.609 1.00 0.00 C ATOM 429 O GLY A 23 2.422 17.199 0.831 1.00 0.00 O ATOM 0 H GLY A 23 -0.936 16.148 2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.214 18.120 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.416 17.905 3.319 1.00 0.00 H new ATOM 433 N GLY A 24 1.640 15.307 1.633 1.00 0.00 N ATOM 434 CA GLY A 24 2.477 14.506 0.697 1.00 0.00 C ATOM 435 C GLY A 24 3.917 15.029 0.704 1.00 0.00 C ATOM 436 O GLY A 24 4.427 15.459 -0.312 1.00 0.00 O ATOM 0 H GLY A 24 1.050 14.762 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.461 13.456 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.066 14.562 -0.311 1.00 0.00 H new ATOM 440 N PRO A 25 4.570 14.988 1.836 1.00 0.00 N ATOM 441 CA PRO A 25 5.979 15.462 1.963 1.00 0.00 C ATOM 442 C PRO A 25 6.930 14.668 1.063 1.00 0.00 C ATOM 443 O PRO A 25 7.946 15.165 0.619 1.00 0.00 O ATOM 444 CB PRO A 25 6.326 15.245 3.440 1.00 0.00 C ATOM 445 CG PRO A 25 5.293 14.307 3.973 1.00 0.00 C ATOM 446 CD PRO A 25 4.045 14.488 3.112 1.00 0.00 C ATOM 0 HA PRO A 25 6.082 16.502 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.326 14.826 3.548 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.315 16.188 3.986 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.647 13.277 3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.076 14.525 5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.508 13.548 2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.347 15.194 3.562 1.00 0.00 H new ATOM 454 N HIS A 26 6.596 13.438 0.782 1.00 0.00 N ATOM 455 CA HIS A 26 7.464 12.604 -0.098 1.00 0.00 C ATOM 456 C HIS A 26 8.893 12.557 0.448 1.00 0.00 C ATOM 457 O HIS A 26 9.848 12.718 -0.285 1.00 0.00 O ATOM 458 CB HIS A 26 7.476 13.193 -1.509 1.00 0.00 C ATOM 459 CG HIS A 26 6.084 13.159 -2.075 1.00 0.00 C ATOM 460 ND1 HIS A 26 5.396 11.968 -2.265 1.00 0.00 N ATOM 461 CD2 HIS A 26 5.236 14.154 -2.499 1.00 0.00 C ATOM 462 CE1 HIS A 26 4.193 12.272 -2.784 1.00 0.00 C ATOM 463 NE2 HIS A 26 4.046 13.587 -2.945 1.00 0.00 N ATOM 0 H HIS A 26 5.756 12.973 1.125 1.00 0.00 H new ATOM 0 HA HIS A 26 7.065 11.590 -0.125 1.00 0.00 H new ATOM 0 HB2 HIS A 26 7.846 14.218 -1.484 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.154 12.625 -2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.458 15.211 -2.488 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.440 11.541 -3.039 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.232 14.075 -3.317 1.00 0.00 H new ATOM 472 N LYS A 27 9.054 12.321 1.721 1.00 0.00 N ATOM 473 CA LYS A 27 10.434 12.252 2.284 1.00 0.00 C ATOM 474 C LYS A 27 11.215 11.171 1.534 1.00 0.00 C ATOM 475 O LYS A 27 12.399 11.295 1.294 1.00 0.00 O ATOM 476 CB LYS A 27 10.368 11.897 3.774 1.00 0.00 C ATOM 477 CG LYS A 27 9.682 13.031 4.539 1.00 0.00 C ATOM 478 CD LYS A 27 9.753 12.750 6.041 1.00 0.00 C ATOM 479 CE LYS A 27 8.964 13.819 6.800 1.00 0.00 C ATOM 480 NZ LYS A 27 9.760 15.078 6.854 1.00 0.00 N ATOM 0 H LYS A 27 8.299 12.174 2.391 1.00 0.00 H new ATOM 0 HA LYS A 27 10.929 13.217 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.819 10.966 3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.373 11.736 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.166 13.981 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.642 13.120 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.346 11.762 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.792 12.746 6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.009 14.001 6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.741 13.474 7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.255 15.784 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.688 14.884 7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.893 15.446 5.890 1.00 0.00 H new ATOM 494 N VAL A 28 10.548 10.116 1.152 1.00 0.00 N ATOM 495 CA VAL A 28 11.223 9.020 0.403 1.00 0.00 C ATOM 496 C VAL A 28 10.254 8.497 -0.659 1.00 0.00 C ATOM 497 O VAL A 28 9.883 9.209 -1.572 1.00 0.00 O ATOM 498 CB VAL A 28 11.592 7.889 1.365 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.455 6.859 0.636 1.00 0.00 C ATOM 500 CG2 VAL A 28 12.374 8.463 2.548 1.00 0.00 C ATOM 0 H VAL A 28 9.555 9.966 1.329 1.00 0.00 H new ATOM 0 HA VAL A 28 12.133 9.392 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 28 10.683 7.409 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.718 6.054 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.899 6.450 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.365 7.338 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.638 7.659 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.283 8.943 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.759 9.197 3.069 1.00 0.00 H new ATOM 510 N GLY A 29 9.821 7.271 -0.543 1.00 0.00 N ATOM 511 CA GLY A 29 8.856 6.737 -1.543 1.00 0.00 C ATOM 512 C GLY A 29 7.626 7.645 -1.547 1.00 0.00 C ATOM 513 O GLY A 29 7.398 8.385 -0.610 1.00 0.00 O ATOM 0 H GLY A 29 10.092 6.621 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.311 6.708 -2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.574 5.715 -1.292 1.00 0.00 H new ATOM 517 N PRO A 30 6.840 7.601 -2.587 1.00 0.00 N ATOM 518 CA PRO A 30 5.626 8.450 -2.686 1.00 0.00 C ATOM 519 C PRO A 30 4.718 8.274 -1.469 1.00 0.00 C ATOM 520 O PRO A 30 4.504 7.176 -1.003 1.00 0.00 O ATOM 521 CB PRO A 30 4.910 7.977 -3.957 1.00 0.00 C ATOM 522 CG PRO A 30 5.660 6.786 -4.466 1.00 0.00 C ATOM 523 CD PRO A 30 7.019 6.747 -3.760 1.00 0.00 C ATOM 0 HA PRO A 30 5.885 9.508 -2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.874 7.717 -3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.890 8.769 -4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.102 5.871 -4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.793 6.852 -5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.290 5.731 -3.475 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.814 7.120 -4.406 1.00 0.00 H new ATOM 531 N ASN A 31 4.188 9.342 -0.950 1.00 0.00 N ATOM 532 CA ASN A 31 3.301 9.223 0.239 1.00 0.00 C ATOM 533 C ASN A 31 1.859 9.021 -0.225 1.00 0.00 C ATOM 534 O ASN A 31 1.403 9.644 -1.163 1.00 0.00 O ATOM 535 CB ASN A 31 3.420 10.490 1.086 1.00 0.00 C ATOM 536 CG ASN A 31 4.810 10.530 1.730 1.00 0.00 C ATOM 537 OD1 ASN A 31 5.276 11.654 2.198 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 5.482 9.520 1.806 1.00 0.00 N flip ATOM 0 H ASN A 31 4.329 10.291 -1.296 1.00 0.00 H new ATOM 0 HA ASN A 31 3.598 8.366 0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.267 11.373 0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.648 10.503 1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.121 8.639 1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.407 9.554 2.235 1.00 0.00 H new ATOM 545 N LEU A 32 1.143 8.136 0.415 1.00 0.00 N ATOM 546 CA LEU A 32 -0.262 7.873 -0.001 1.00 0.00 C ATOM 547 C LEU A 32 -1.224 8.763 0.788 1.00 0.00 C ATOM 548 O LEU A 32 -1.091 8.942 1.981 1.00 0.00 O ATOM 549 CB LEU A 32 -0.601 6.404 0.264 1.00 0.00 C ATOM 550 CG LEU A 32 0.291 5.503 -0.599 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.744 5.598 -0.126 1.00 0.00 C ATOM 552 CD2 LEU A 32 -0.185 4.055 -0.478 1.00 0.00 C ATOM 0 H LEU A 32 1.472 7.585 1.208 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.365 8.094 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.456 6.172 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.651 6.217 0.038 1.00 0.00 H new ATOM 0 HG LEU A 32 0.230 5.828 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.371 4.955 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.087 6.629 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.810 5.278 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.447 3.412 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.125 3.738 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.217 3.981 -0.820 1.00 0.00 H new ATOM 564 N HIS A 33 -2.201 9.310 0.119 1.00 0.00 N ATOM 565 CA HIS A 33 -3.195 10.181 0.805 1.00 0.00 C ATOM 566 C HIS A 33 -4.419 10.319 -0.098 1.00 0.00 C ATOM 567 O HIS A 33 -4.488 11.195 -0.939 1.00 0.00 O ATOM 568 CB HIS A 33 -2.582 11.557 1.063 1.00 0.00 C ATOM 569 CG HIS A 33 -3.555 12.402 1.839 1.00 0.00 C ATOM 570 ND1 HIS A 33 -3.938 12.086 3.136 1.00 0.00 N ATOM 571 CD2 HIS A 33 -4.231 13.553 1.519 1.00 0.00 C ATOM 572 CE1 HIS A 33 -4.808 13.031 3.544 1.00 0.00 C ATOM 573 NE2 HIS A 33 -5.018 13.944 2.596 1.00 0.00 N ATOM 0 H HIS A 33 -2.354 9.189 -0.882 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.484 9.742 1.760 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.650 11.453 1.619 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.337 12.041 0.118 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.162 14.074 0.576 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.276 13.047 4.517 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -5.629 14.759 2.650 1.00 0.00 H new ATOM 582 N GLY A 34 -5.378 9.451 0.054 1.00 0.00 N ATOM 583 CA GLY A 34 -6.588 9.518 -0.812 1.00 0.00 C ATOM 584 C GLY A 34 -6.349 8.654 -2.048 1.00 0.00 C ATOM 585 O GLY A 34 -7.146 8.622 -2.963 1.00 0.00 O ATOM 0 H GLY A 34 -5.377 8.697 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.464 9.165 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.788 10.549 -1.104 1.00 0.00 H new ATOM 589 N ILE A 35 -5.247 7.952 -2.076 1.00 0.00 N ATOM 590 CA ILE A 35 -4.933 7.083 -3.245 1.00 0.00 C ATOM 591 C ILE A 35 -6.072 6.088 -3.462 1.00 0.00 C ATOM 592 O ILE A 35 -6.250 5.561 -4.542 1.00 0.00 O ATOM 593 CB ILE A 35 -3.629 6.326 -2.980 1.00 0.00 C ATOM 594 CG1 ILE A 35 -3.122 5.692 -4.281 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.880 5.229 -1.946 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.637 5.349 -4.137 1.00 0.00 C ATOM 0 H ILE A 35 -4.547 7.944 -1.334 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.819 7.698 -4.137 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.880 7.022 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.694 4.792 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.268 6.379 -5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.952 4.689 -1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.235 5.678 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.632 4.537 -2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.276 4.898 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.072 6.258 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.504 4.646 -3.315 1.00 0.00 H new ATOM 608 N PHE A 36 -6.851 5.828 -2.448 1.00 0.00 N ATOM 609 CA PHE A 36 -7.977 4.872 -2.607 1.00 0.00 C ATOM 610 C PHE A 36 -8.958 5.426 -3.642 1.00 0.00 C ATOM 611 O PHE A 36 -9.299 6.592 -3.627 1.00 0.00 O ATOM 612 CB PHE A 36 -8.687 4.704 -1.264 1.00 0.00 C ATOM 613 CG PHE A 36 -7.821 3.892 -0.328 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.847 4.523 0.458 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.998 2.506 -0.246 1.00 0.00 C ATOM 616 CE1 PHE A 36 -6.050 3.762 1.326 1.00 0.00 C ATOM 617 CE2 PHE A 36 -7.202 1.748 0.621 1.00 0.00 C ATOM 618 CZ PHE A 36 -6.230 2.376 1.407 1.00 0.00 C ATOM 0 H PHE A 36 -6.755 6.237 -1.518 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.601 3.905 -2.941 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.895 5.681 -0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.647 4.208 -1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.710 5.593 0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.749 2.021 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.298 4.245 1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.338 0.678 0.683 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.618 1.791 2.077 1.00 0.00 H new ATOM 628 N GLY A 37 -9.407 4.602 -4.548 1.00 0.00 N ATOM 629 CA GLY A 37 -10.358 5.085 -5.587 1.00 0.00 C ATOM 630 C GLY A 37 -9.617 6.007 -6.559 1.00 0.00 C ATOM 631 O GLY A 37 -10.214 6.830 -7.223 1.00 0.00 O ATOM 0 H GLY A 37 -9.156 3.615 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.788 4.240 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.185 5.619 -5.120 1.00 0.00 H new ATOM 635 N ARG A 38 -8.317 5.880 -6.640 1.00 0.00 N ATOM 636 CA ARG A 38 -7.537 6.755 -7.562 1.00 0.00 C ATOM 637 C ARG A 38 -6.529 5.920 -8.354 1.00 0.00 C ATOM 638 O ARG A 38 -6.189 4.815 -7.983 1.00 0.00 O ATOM 639 CB ARG A 38 -6.788 7.816 -6.754 1.00 0.00 C ATOM 640 CG ARG A 38 -7.791 8.743 -6.066 1.00 0.00 C ATOM 641 CD ARG A 38 -7.043 9.909 -5.416 1.00 0.00 C ATOM 642 NE ARG A 38 -7.970 10.653 -4.517 1.00 0.00 N ATOM 643 CZ ARG A 38 -7.544 11.694 -3.857 1.00 0.00 C ATOM 644 NH1 ARG A 38 -6.306 12.085 -3.983 1.00 0.00 N ATOM 645 NH2 ARG A 38 -8.357 12.346 -3.071 1.00 0.00 N ATOM 0 H ARG A 38 -7.764 5.209 -6.108 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.226 7.238 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.151 7.338 -6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.135 8.393 -7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.512 9.119 -6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.354 8.192 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.190 9.537 -4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.650 10.576 -6.183 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.938 10.348 -4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.671 11.577 -4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.973 12.899 -3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.325 12.041 -2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.024 13.160 -2.555 1.00 0.00 H new ATOM 659 N HIS A 39 -6.043 6.452 -9.445 1.00 0.00 N ATOM 660 CA HIS A 39 -5.051 5.706 -10.269 1.00 0.00 C ATOM 661 C HIS A 39 -3.640 6.180 -9.913 1.00 0.00 C ATOM 662 O HIS A 39 -3.443 7.294 -9.470 1.00 0.00 O ATOM 663 CB HIS A 39 -5.318 5.968 -11.753 1.00 0.00 C ATOM 664 CG HIS A 39 -6.656 5.399 -12.132 1.00 0.00 C ATOM 665 ND1 HIS A 39 -7.822 6.151 -12.085 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.031 4.151 -12.570 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.833 5.357 -12.484 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.404 4.132 -12.789 1.00 0.00 N ATOM 0 H HIS A 39 -6.293 7.375 -9.801 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.140 4.638 -10.069 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.297 7.039 -11.953 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.534 5.515 -12.360 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.363 3.316 -12.721 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.864 5.673 -12.549 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.966 3.345 -13.115 1.00 0.00 H new ATOM 677 N SER A 40 -2.656 5.342 -10.098 1.00 0.00 N ATOM 678 CA SER A 40 -1.262 5.747 -9.764 1.00 0.00 C ATOM 679 C SER A 40 -0.808 6.869 -10.699 1.00 0.00 C ATOM 680 O SER A 40 -1.337 7.044 -11.779 1.00 0.00 O ATOM 681 CB SER A 40 -0.330 4.546 -9.933 1.00 0.00 C ATOM 682 OG SER A 40 -0.059 4.358 -11.315 1.00 0.00 O ATOM 0 H SER A 40 -2.758 4.396 -10.465 1.00 0.00 H new ATOM 0 HA SER A 40 -1.230 6.100 -8.733 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.599 4.711 -9.387 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.791 3.651 -9.515 1.00 0.00 H new ATOM 0 HG SER A 40 0.904 4.235 -11.446 1.00 0.00 H new ATOM 688 N GLY A 41 0.177 7.624 -10.294 1.00 0.00 N ATOM 689 CA GLY A 41 0.675 8.730 -11.159 1.00 0.00 C ATOM 690 C GLY A 41 -0.086 10.020 -10.846 1.00 0.00 C ATOM 691 O GLY A 41 0.374 11.107 -11.130 1.00 0.00 O ATOM 0 H GLY A 41 0.658 7.522 -9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.742 8.879 -10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.547 8.468 -12.209 1.00 0.00 H new ATOM 695 N GLN A 42 -1.252 9.908 -10.271 1.00 0.00 N ATOM 696 CA GLN A 42 -2.046 11.128 -9.949 1.00 0.00 C ATOM 697 C GLN A 42 -1.274 12.016 -8.970 1.00 0.00 C ATOM 698 O GLN A 42 -1.337 13.228 -9.037 1.00 0.00 O ATOM 699 CB GLN A 42 -3.381 10.722 -9.324 1.00 0.00 C ATOM 700 CG GLN A 42 -4.274 11.958 -9.190 1.00 0.00 C ATOM 701 CD GLN A 42 -5.639 11.545 -8.639 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.935 10.372 -8.537 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.489 12.467 -8.275 1.00 0.00 N ATOM 0 H GLN A 42 -1.689 9.024 -10.010 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.227 11.685 -10.869 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.871 9.970 -9.942 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.215 10.271 -8.346 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.808 12.686 -8.527 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.393 12.441 -10.160 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.240 13.452 -8.361 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.402 12.202 -7.905 1.00 0.00 H new ATOM 712 N ALA A 43 -0.552 11.431 -8.052 1.00 0.00 N ATOM 713 CA ALA A 43 0.207 12.258 -7.070 1.00 0.00 C ATOM 714 C ALA A 43 1.180 13.174 -7.814 1.00 0.00 C ATOM 715 O ALA A 43 1.291 14.346 -7.516 1.00 0.00 O ATOM 716 CB ALA A 43 0.991 11.341 -6.127 1.00 0.00 C ATOM 0 H ALA A 43 -0.455 10.422 -7.940 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.491 12.864 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.546 11.946 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.299 10.689 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.688 10.734 -6.705 1.00 0.00 H new ATOM 722 N GLU A 44 1.879 12.646 -8.781 1.00 0.00 N ATOM 723 CA GLU A 44 2.850 13.472 -9.564 1.00 0.00 C ATOM 724 C GLU A 44 3.902 14.106 -8.638 1.00 0.00 C ATOM 725 O GLU A 44 4.959 14.506 -9.083 1.00 0.00 O ATOM 726 CB GLU A 44 2.099 14.578 -10.313 1.00 0.00 C ATOM 727 CG GLU A 44 1.113 13.949 -11.299 1.00 0.00 C ATOM 728 CD GLU A 44 0.417 15.051 -12.099 1.00 0.00 C ATOM 729 OE1 GLU A 44 0.592 16.208 -11.753 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.278 14.719 -13.046 1.00 0.00 O ATOM 0 H GLU A 44 1.820 11.669 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 44 3.359 12.822 -10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.566 15.214 -9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.805 15.215 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.638 13.272 -11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.375 13.354 -10.761 1.00 0.00 H new ATOM 737 N GLY A 45 3.631 14.207 -7.364 1.00 0.00 N ATOM 738 CA GLY A 45 4.626 14.818 -6.438 1.00 0.00 C ATOM 739 C GLY A 45 5.939 14.036 -6.510 1.00 0.00 C ATOM 740 O GLY A 45 7.011 14.595 -6.384 1.00 0.00 O ATOM 0 H GLY A 45 2.765 13.893 -6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.796 15.860 -6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.242 14.811 -5.418 1.00 0.00 H new ATOM 744 N TYR A 46 5.859 12.749 -6.706 1.00 0.00 N ATOM 745 CA TYR A 46 7.098 11.921 -6.784 1.00 0.00 C ATOM 746 C TYR A 46 7.109 11.157 -8.110 1.00 0.00 C ATOM 747 O TYR A 46 6.084 10.710 -8.588 1.00 0.00 O ATOM 748 CB TYR A 46 7.116 10.933 -5.615 1.00 0.00 C ATOM 749 CG TYR A 46 8.444 10.216 -5.577 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.572 10.859 -5.054 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.548 8.905 -6.058 1.00 0.00 C ATOM 752 CE1 TYR A 46 10.803 10.194 -5.015 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.779 8.239 -6.019 1.00 0.00 C ATOM 754 CZ TYR A 46 10.907 8.884 -5.498 1.00 0.00 C ATOM 755 OH TYR A 46 12.121 8.229 -5.459 1.00 0.00 O ATOM 0 H TYR A 46 4.986 12.232 -6.816 1.00 0.00 H new ATOM 0 HA TYR A 46 7.979 12.561 -6.729 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.950 11.462 -4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.305 10.212 -5.722 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.492 11.869 -4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.678 8.407 -6.459 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.673 10.692 -4.612 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.858 7.228 -6.391 1.00 0.00 H new ATOM 0 HH TYR A 46 12.019 7.328 -5.832 1.00 0.00 H new ATOM 765 N SER A 47 8.255 11.014 -8.716 1.00 0.00 N ATOM 766 CA SER A 47 8.327 10.292 -10.018 1.00 0.00 C ATOM 767 C SER A 47 7.944 8.823 -9.819 1.00 0.00 C ATOM 768 O SER A 47 7.982 8.304 -8.721 1.00 0.00 O ATOM 769 CB SER A 47 9.751 10.374 -10.569 1.00 0.00 C ATOM 770 OG SER A 47 10.594 9.509 -9.820 1.00 0.00 O ATOM 0 H SER A 47 9.146 11.366 -8.366 1.00 0.00 H new ATOM 0 HA SER A 47 7.634 10.753 -10.722 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.763 10.091 -11.622 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.118 11.399 -10.510 1.00 0.00 H new ATOM 0 HG SER A 47 11.508 9.558 -10.171 1.00 0.00 H new ATOM 776 N TYR A 48 7.578 8.152 -10.878 1.00 0.00 N ATOM 777 CA TYR A 48 7.189 6.716 -10.768 1.00 0.00 C ATOM 778 C TYR A 48 8.172 5.858 -11.566 1.00 0.00 C ATOM 779 O TYR A 48 8.729 6.291 -12.556 1.00 0.00 O ATOM 780 CB TYR A 48 5.778 6.526 -11.328 1.00 0.00 C ATOM 781 CG TYR A 48 4.774 7.149 -10.389 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.665 8.542 -10.298 1.00 0.00 C ATOM 783 CD2 TYR A 48 3.949 6.331 -9.611 1.00 0.00 C ATOM 784 CE1 TYR A 48 3.731 9.115 -9.425 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.016 6.903 -8.740 1.00 0.00 C ATOM 786 CZ TYR A 48 2.906 8.294 -8.646 1.00 0.00 C ATOM 787 OH TYR A 48 1.985 8.853 -7.785 1.00 0.00 O ATOM 0 H TYR A 48 7.531 8.539 -11.820 1.00 0.00 H new ATOM 0 HA TYR A 48 7.209 6.414 -9.721 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.702 6.984 -12.314 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.565 5.464 -11.453 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.300 9.174 -10.900 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.032 5.257 -9.683 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.647 10.189 -9.353 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.380 6.270 -8.139 1.00 0.00 H new ATOM 0 HH TYR A 48 1.355 9.405 -8.293 1.00 0.00 H new ATOM 797 N THR A 49 8.388 4.641 -11.145 1.00 0.00 N ATOM 798 CA THR A 49 9.336 3.757 -11.880 1.00 0.00 C ATOM 799 C THR A 49 8.673 3.259 -13.166 1.00 0.00 C ATOM 800 O THR A 49 7.470 3.307 -13.315 1.00 0.00 O ATOM 801 CB THR A 49 9.706 2.559 -11.002 1.00 0.00 C ATOM 802 OG1 THR A 49 8.571 1.721 -10.844 1.00 0.00 O ATOM 803 CG2 THR A 49 10.178 3.048 -9.632 1.00 0.00 C ATOM 0 H THR A 49 7.949 4.222 -10.325 1.00 0.00 H new ATOM 0 HA THR A 49 10.238 4.318 -12.127 1.00 0.00 H new ATOM 0 HB THR A 49 10.510 1.997 -11.478 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.807 0.953 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.440 2.192 -9.011 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.052 3.688 -9.755 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.379 3.613 -9.152 1.00 0.00 H new ATOM 811 N ASP A 50 9.453 2.782 -14.094 1.00 0.00 N ATOM 812 CA ASP A 50 8.875 2.283 -15.374 1.00 0.00 C ATOM 813 C ASP A 50 7.813 1.219 -15.082 1.00 0.00 C ATOM 814 O ASP A 50 6.845 1.083 -15.801 1.00 0.00 O ATOM 815 CB ASP A 50 9.985 1.672 -16.227 1.00 0.00 C ATOM 816 CG ASP A 50 10.940 2.773 -16.690 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.596 3.933 -16.531 1.00 0.00 O ATOM 818 OD2 ASP A 50 12.000 2.439 -17.194 1.00 0.00 O ATOM 0 H ASP A 50 10.468 2.716 -14.022 1.00 0.00 H new ATOM 0 HA ASP A 50 8.415 3.113 -15.910 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.529 0.923 -15.652 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.556 1.162 -17.090 1.00 0.00 H new ATOM 823 N ALA A 51 7.994 0.456 -14.041 1.00 0.00 N ATOM 824 CA ALA A 51 7.003 -0.608 -13.711 1.00 0.00 C ATOM 825 C ALA A 51 5.592 -0.017 -13.614 1.00 0.00 C ATOM 826 O ALA A 51 4.777 -0.195 -14.497 1.00 0.00 O ATOM 827 CB ALA A 51 7.376 -1.249 -12.374 1.00 0.00 C ATOM 0 H ALA A 51 8.787 0.523 -13.403 1.00 0.00 H new ATOM 0 HA ALA A 51 7.016 -1.358 -14.502 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.653 -2.028 -12.130 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.371 -1.687 -12.446 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.370 -0.490 -11.592 1.00 0.00 H new ATOM 833 N ASN A 52 5.289 0.671 -12.546 1.00 0.00 N ATOM 834 CA ASN A 52 3.920 1.251 -12.398 1.00 0.00 C ATOM 835 C ASN A 52 3.576 2.105 -13.623 1.00 0.00 C ATOM 836 O ASN A 52 2.475 2.054 -14.129 1.00 0.00 O ATOM 837 CB ASN A 52 3.860 2.115 -11.136 1.00 0.00 C ATOM 838 CG ASN A 52 2.440 2.662 -10.953 1.00 0.00 C ATOM 839 OD1 ASN A 52 2.167 3.789 -11.312 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.516 1.915 -10.400 1.00 0.00 N ATOM 0 H ASN A 52 5.926 0.857 -11.772 1.00 0.00 H new ATOM 0 HA ASN A 52 3.198 0.439 -12.316 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.148 1.525 -10.266 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.570 2.938 -11.213 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.573 2.281 -10.273 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.740 0.967 -10.097 1.00 0.00 H new ATOM 847 N ILE A 53 4.502 2.883 -14.112 1.00 0.00 N ATOM 848 CA ILE A 53 4.204 3.719 -15.305 1.00 0.00 C ATOM 849 C ILE A 53 3.809 2.810 -16.471 1.00 0.00 C ATOM 850 O ILE A 53 2.827 3.041 -17.147 1.00 0.00 O ATOM 851 CB ILE A 53 5.446 4.524 -15.678 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.800 5.476 -14.533 1.00 0.00 C ATOM 853 CG2 ILE A 53 5.163 5.330 -16.940 1.00 0.00 C ATOM 854 CD1 ILE A 53 7.137 6.156 -14.828 1.00 0.00 C ATOM 0 H ILE A 53 5.447 2.975 -13.738 1.00 0.00 H new ATOM 0 HA ILE A 53 3.383 4.401 -15.084 1.00 0.00 H new ATOM 0 HB ILE A 53 6.281 3.846 -15.857 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.017 6.225 -14.414 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.859 4.926 -13.594 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.048 5.906 -17.210 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.909 4.652 -17.755 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.329 6.008 -16.759 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.388 6.834 -14.012 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.916 5.400 -14.925 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.061 6.720 -15.758 1.00 0.00 H new ATOM 866 N LYS A 54 4.566 1.773 -16.705 1.00 0.00 N ATOM 867 CA LYS A 54 4.233 0.841 -17.819 1.00 0.00 C ATOM 868 C LYS A 54 2.858 0.224 -17.566 1.00 0.00 C ATOM 869 O LYS A 54 2.085 0.012 -18.479 1.00 0.00 O ATOM 870 CB LYS A 54 5.286 -0.266 -17.892 1.00 0.00 C ATOM 871 CG LYS A 54 5.027 -1.138 -19.121 1.00 0.00 C ATOM 872 CD LYS A 54 6.041 -2.283 -19.160 1.00 0.00 C ATOM 873 CE LYS A 54 5.886 -3.057 -20.470 1.00 0.00 C ATOM 874 NZ LYS A 54 6.858 -2.536 -21.472 1.00 0.00 N ATOM 0 H LYS A 54 5.401 1.531 -16.172 1.00 0.00 H new ATOM 0 HA LYS A 54 4.220 1.388 -18.762 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.284 0.170 -17.946 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.253 -0.874 -16.988 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.013 -1.537 -19.089 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.105 -0.538 -20.028 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.054 -1.889 -19.076 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.886 -2.949 -18.311 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.058 -4.120 -20.299 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.868 -2.955 -20.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.753 -3.062 -22.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.674 -1.527 -21.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.826 -2.655 -21.111 1.00 0.00 H new ATOM 888 N LYS A 55 2.551 -0.066 -16.329 1.00 0.00 N ATOM 889 CA LYS A 55 1.229 -0.670 -16.003 1.00 0.00 C ATOM 890 C LYS A 55 0.525 0.186 -14.951 1.00 0.00 C ATOM 891 O LYS A 55 0.993 0.326 -13.838 1.00 0.00 O ATOM 892 CB LYS A 55 1.444 -2.080 -15.445 1.00 0.00 C ATOM 893 CG LYS A 55 0.090 -2.754 -15.213 1.00 0.00 C ATOM 894 CD LYS A 55 0.309 -4.147 -14.615 1.00 0.00 C ATOM 895 CE LYS A 55 -1.029 -4.884 -14.535 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.382 -5.118 -13.106 1.00 0.00 N ATOM 0 H LYS A 55 3.163 0.091 -15.528 1.00 0.00 H new ATOM 0 HA LYS A 55 0.617 -0.719 -16.903 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.040 -2.670 -16.141 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.002 -2.030 -14.510 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.519 -2.149 -14.541 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.455 -2.832 -16.154 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.011 -4.712 -15.229 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.750 -4.063 -13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.809 -4.298 -15.022 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.965 -5.834 -15.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.292 -5.619 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.642 -5.693 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.459 -4.205 -12.613 1.00 0.00 H new ATOM 910 N ASN A 56 -0.602 0.752 -15.286 1.00 0.00 N ATOM 911 CA ASN A 56 -1.333 1.590 -14.295 1.00 0.00 C ATOM 912 C ASN A 56 -2.469 0.769 -13.691 1.00 0.00 C ATOM 913 O ASN A 56 -3.161 0.048 -14.383 1.00 0.00 O ATOM 914 CB ASN A 56 -1.903 2.834 -14.976 1.00 0.00 C ATOM 915 CG ASN A 56 -2.474 3.768 -13.908 1.00 0.00 C ATOM 916 OD1 ASN A 56 -3.663 4.006 -13.863 1.00 0.00 O ATOM 917 ND2 ASN A 56 -1.666 4.301 -13.031 1.00 0.00 N ATOM 0 H ASN A 56 -1.047 0.671 -16.200 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.645 1.905 -13.510 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.124 3.343 -15.544 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.681 2.552 -15.685 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.034 4.918 -12.307 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.667 4.100 -13.070 1.00 0.00 H new ATOM 924 N VAL A 57 -2.656 0.860 -12.405 1.00 0.00 N ATOM 925 CA VAL A 57 -3.735 0.073 -11.748 1.00 0.00 C ATOM 926 C VAL A 57 -4.567 0.976 -10.837 1.00 0.00 C ATOM 927 O VAL A 57 -4.066 1.911 -10.245 1.00 0.00 O ATOM 928 CB VAL A 57 -3.103 -1.037 -10.912 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.226 -0.414 -9.824 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.206 -1.873 -10.262 1.00 0.00 C ATOM 0 H VAL A 57 -2.106 1.448 -11.778 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.383 -0.354 -12.513 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.493 -1.675 -11.551 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.773 -1.204 -9.225 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.442 0.185 -10.287 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.837 0.222 -9.183 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.757 -2.666 -9.664 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.815 -1.236 -9.621 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.833 -2.313 -11.037 1.00 0.00 H new ATOM 940 N LEU A 58 -5.835 0.692 -10.712 1.00 0.00 N ATOM 941 CA LEU A 58 -6.702 1.521 -9.829 1.00 0.00 C ATOM 942 C LEU A 58 -6.452 1.116 -8.379 1.00 0.00 C ATOM 943 O LEU A 58 -6.416 -0.051 -8.048 1.00 0.00 O ATOM 944 CB LEU A 58 -8.174 1.278 -10.183 1.00 0.00 C ATOM 945 CG LEU A 58 -9.075 2.095 -9.251 1.00 0.00 C ATOM 946 CD1 LEU A 58 -8.839 3.587 -9.483 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.539 1.762 -9.543 1.00 0.00 C ATOM 0 H LEU A 58 -6.308 -0.079 -11.184 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.471 2.578 -9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.359 1.558 -11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.409 0.217 -10.093 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.841 1.849 -8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.482 4.165 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.796 3.827 -9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.071 3.835 -10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.183 2.342 -8.882 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.768 2.008 -10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.711 0.699 -9.376 1.00 0.00 H new ATOM 959 N TRP A 59 -6.268 2.071 -7.510 1.00 0.00 N ATOM 960 CA TRP A 59 -6.010 1.727 -6.088 1.00 0.00 C ATOM 961 C TRP A 59 -7.307 1.797 -5.287 1.00 0.00 C ATOM 962 O TRP A 59 -8.011 2.787 -5.297 1.00 0.00 O ATOM 963 CB TRP A 59 -4.982 2.697 -5.509 1.00 0.00 C ATOM 964 CG TRP A 59 -3.653 2.387 -6.114 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.052 3.104 -7.087 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.762 1.279 -5.811 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.846 2.503 -7.404 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.623 1.375 -6.642 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.831 0.210 -4.901 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.590 0.442 -6.578 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.793 -0.728 -4.830 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.674 -0.614 -5.667 1.00 0.00 C ATOM 0 H TRP A 59 -6.285 3.068 -7.723 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.620 0.711 -6.029 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.267 3.726 -5.726 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.937 2.600 -4.424 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.447 4.000 -7.543 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.202 2.851 -8.114 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.689 0.111 -4.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.268 0.534 -7.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.855 -1.544 -4.126 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.122 -1.342 -5.608 1.00 0.00 H new ATOM 983 N ASP A 60 -7.613 0.739 -4.591 1.00 0.00 N ATOM 984 CA ASP A 60 -8.852 0.689 -3.767 1.00 0.00 C ATOM 985 C ASP A 60 -8.647 -0.344 -2.658 1.00 0.00 C ATOM 986 O ASP A 60 -7.668 -1.062 -2.647 1.00 0.00 O ATOM 987 CB ASP A 60 -10.038 0.279 -4.643 1.00 0.00 C ATOM 988 CG ASP A 60 -11.340 0.488 -3.868 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.276 1.020 -2.772 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.380 0.115 -4.387 1.00 0.00 O ATOM 0 H ASP A 60 -7.046 -0.108 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.058 1.669 -3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.049 0.870 -5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.942 -0.766 -4.938 1.00 0.00 H new ATOM 995 N GLU A 61 -9.550 -0.428 -1.721 1.00 0.00 N ATOM 996 CA GLU A 61 -9.373 -1.421 -0.624 1.00 0.00 C ATOM 997 C GLU A 61 -9.261 -2.827 -1.219 1.00 0.00 C ATOM 998 O GLU A 61 -8.481 -3.643 -0.769 1.00 0.00 O ATOM 999 CB GLU A 61 -10.579 -1.362 0.315 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.631 0.010 0.992 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.800 0.048 1.977 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.593 -0.880 1.961 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -11.883 1.005 2.728 1.00 0.00 O ATOM 0 H GLU A 61 -10.395 0.141 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.465 -1.188 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.498 -1.539 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.507 -2.148 1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.695 0.205 1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.747 0.793 0.243 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.030 -3.118 -2.233 1.00 0.00 N ATOM 1011 CA ASN A 62 -9.956 -4.470 -2.855 1.00 0.00 C ATOM 1012 C ASN A 62 -8.655 -4.590 -3.646 1.00 0.00 C ATOM 1013 O ASN A 62 -7.926 -5.554 -3.527 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.140 -4.660 -3.804 1.00 0.00 C ATOM 1015 CG ASN A 62 -12.168 -3.553 -3.563 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.052 -2.424 -4.207 1.00 0.00 O flip ATOM 1017 ND2 ASN A 62 -13.082 -3.716 -2.781 1.00 0.00 N flip ATOM 0 H ASN A 62 -10.704 -2.480 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.986 -5.231 -2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -10.798 -4.635 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.596 -5.637 -3.643 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.172 -4.599 -2.278 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.760 -2.970 -2.627 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.360 -3.609 -4.454 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.110 -3.650 -5.260 1.00 0.00 C ATOM 1026 C ASN A 63 -5.894 -3.708 -4.334 1.00 0.00 C ATOM 1027 O ASN A 63 -4.914 -4.364 -4.622 1.00 0.00 O ATOM 1028 CB ASN A 63 -7.029 -2.395 -6.131 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.915 -2.565 -7.167 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -4.867 -1.790 -7.109 1.00 0.00 O flip ATOM 1031 ND2 ASN A 63 -5.999 -3.410 -8.034 1.00 0.00 N flip ATOM 0 H ASN A 63 -8.935 -2.777 -4.590 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.119 -4.537 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.982 -2.224 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.833 -1.521 -5.511 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.819 -4.015 -8.078 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.250 -3.515 -8.718 1.00 0.00 H new ATOM 1038 N MET A 64 -5.947 -3.018 -3.229 1.00 0.00 N ATOM 1039 CA MET A 64 -4.787 -3.027 -2.295 1.00 0.00 C ATOM 1040 C MET A 64 -4.494 -4.460 -1.851 1.00 0.00 C ATOM 1041 O MET A 64 -3.353 -4.867 -1.755 1.00 0.00 O ATOM 1042 CB MET A 64 -5.113 -2.173 -1.069 1.00 0.00 C ATOM 1043 CG MET A 64 -5.233 -0.709 -1.488 1.00 0.00 C ATOM 1044 SD MET A 64 -3.699 0.162 -1.084 1.00 0.00 S ATOM 1045 CE MET A 64 -4.235 1.808 -1.606 1.00 0.00 C ATOM 0 H MET A 64 -6.741 -2.450 -2.933 1.00 0.00 H new ATOM 0 HA MET A 64 -3.913 -2.620 -2.803 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.045 -2.510 -0.615 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.332 -2.285 -0.316 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.431 -0.641 -2.558 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.075 -0.241 -0.977 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.537 2.200 -2.346 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.231 1.744 -2.044 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.260 2.473 -0.743 1.00 0.00 H new ATOM 1055 N SER A 65 -5.510 -5.233 -1.584 1.00 0.00 N ATOM 1056 CA SER A 65 -5.269 -6.640 -1.154 1.00 0.00 C ATOM 1057 C SER A 65 -4.599 -7.410 -2.293 1.00 0.00 C ATOM 1058 O SER A 65 -3.760 -8.262 -2.072 1.00 0.00 O ATOM 1059 CB SER A 65 -6.600 -7.305 -0.801 1.00 0.00 C ATOM 1060 OG SER A 65 -7.405 -7.393 -1.969 1.00 0.00 O ATOM 0 H SER A 65 -6.490 -4.955 -1.644 1.00 0.00 H new ATOM 0 HA SER A 65 -4.620 -6.646 -0.278 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.425 -8.299 -0.390 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.115 -6.729 -0.033 1.00 0.00 H new ATOM 0 HG SER A 65 -7.673 -6.493 -2.250 1.00 0.00 H new ATOM 1066 N GLU A 66 -4.955 -7.112 -3.514 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.335 -7.817 -4.666 1.00 0.00 C ATOM 1068 C GLU A 66 -2.858 -7.434 -4.759 1.00 0.00 C ATOM 1069 O GLU A 66 -2.018 -8.235 -5.121 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.054 -7.406 -5.952 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.503 -7.899 -5.907 1.00 0.00 C ATOM 1072 CD GLU A 66 -7.204 -7.542 -7.219 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.622 -6.804 -7.997 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -8.311 -8.013 -7.423 1.00 0.00 O ATOM 0 H GLU A 66 -5.651 -6.408 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.421 -8.895 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.031 -6.322 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.542 -7.827 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.527 -8.978 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.027 -7.444 -5.067 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.537 -6.212 -4.434 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.116 -5.767 -4.501 1.00 0.00 C ATOM 1083 C HIS A 67 -0.265 -6.644 -3.586 1.00 0.00 C ATOM 1084 O HIS A 67 0.784 -7.125 -3.969 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.035 -4.309 -4.047 1.00 0.00 C ATOM 1086 CG HIS A 67 0.382 -3.812 -4.157 1.00 0.00 C ATOM 1087 ND1 HIS A 67 1.067 -3.796 -5.360 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.250 -3.301 -3.224 1.00 0.00 C ATOM 1089 CE1 HIS A 67 2.294 -3.292 -5.125 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.453 -2.977 -3.840 1.00 0.00 N ATOM 0 H HIS A 67 -3.199 -5.501 -4.124 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.744 -5.854 -5.522 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.694 -3.692 -4.658 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.381 -4.221 -3.017 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.707 -4.109 -6.262 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.032 -3.171 -2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.053 -3.160 -5.882 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.709 -6.862 -2.381 1.00 0.00 N ATOM 1100 CA LEU A 68 0.065 -7.713 -1.441 1.00 0.00 C ATOM 1101 C LEU A 68 0.046 -9.161 -1.945 1.00 0.00 C ATOM 1102 O LEU A 68 0.955 -9.928 -1.705 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.578 -7.651 -0.055 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.766 -6.192 0.369 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -1.158 -6.138 1.844 1.00 0.00 C ATOM 1106 CD2 LEU A 68 0.533 -5.412 0.159 1.00 0.00 C ATOM 0 H LEU A 68 -1.579 -6.485 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 68 1.093 -7.356 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.541 -8.162 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.049 -8.171 0.669 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.553 -5.744 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.292 -5.100 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.090 -6.683 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.372 -6.593 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.388 -4.375 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.327 -5.859 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.811 -5.445 -0.894 1.00 0.00 H new ATOM 1118 N THR A 69 -0.999 -9.540 -2.629 1.00 0.00 N ATOM 1119 CA THR A 69 -1.101 -10.939 -3.138 1.00 0.00 C ATOM 1120 C THR A 69 0.070 -11.272 -4.070 1.00 0.00 C ATOM 1121 O THR A 69 0.576 -12.378 -4.062 1.00 0.00 O ATOM 1122 CB THR A 69 -2.417 -11.102 -3.902 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.499 -10.714 -3.068 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.590 -12.563 -4.320 1.00 0.00 C ATOM 0 H THR A 69 -1.790 -8.939 -2.859 1.00 0.00 H new ATOM 0 HA THR A 69 -1.070 -11.620 -2.288 1.00 0.00 H new ATOM 0 HB THR A 69 -2.400 -10.472 -4.792 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.431 -9.757 -2.868 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.528 -12.677 -4.864 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.760 -12.859 -4.962 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.606 -13.196 -3.433 1.00 0.00 H new ATOM 1132 N ASN A 70 0.500 -10.344 -4.879 1.00 0.00 N ATOM 1133 CA ASN A 70 1.627 -10.644 -5.809 1.00 0.00 C ATOM 1134 C ASN A 70 2.257 -9.345 -6.313 1.00 0.00 C ATOM 1135 O ASN A 70 2.209 -9.033 -7.486 1.00 0.00 O ATOM 1136 CB ASN A 70 1.100 -11.448 -6.999 1.00 0.00 C ATOM 1137 CG ASN A 70 2.216 -12.337 -7.551 1.00 0.00 C ATOM 1138 OD1 ASN A 70 3.141 -11.808 -8.303 1.00 0.00 O flip ATOM 1139 ND2 ASN A 70 2.246 -13.524 -7.296 1.00 0.00 N flip ATOM 0 H ASN A 70 0.124 -9.398 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 70 2.383 -11.221 -5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.252 -12.060 -6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.740 -10.774 -7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.523 -13.938 -6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.995 -14.107 -7.670 1.00 0.00 H new ATOM 1146 N PRO A 71 2.855 -8.601 -5.430 1.00 0.00 N ATOM 1147 CA PRO A 71 3.522 -7.316 -5.782 1.00 0.00 C ATOM 1148 C PRO A 71 4.519 -7.481 -6.935 1.00 0.00 C ATOM 1149 O PRO A 71 4.869 -6.530 -7.606 1.00 0.00 O ATOM 1150 CB PRO A 71 4.262 -6.915 -4.502 1.00 0.00 C ATOM 1151 CG PRO A 71 3.597 -7.657 -3.390 1.00 0.00 C ATOM 1152 CD PRO A 71 2.949 -8.903 -3.999 1.00 0.00 C ATOM 0 HA PRO A 71 2.801 -6.571 -6.118 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.319 -7.173 -4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.206 -5.838 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.323 -7.936 -2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.847 -7.032 -2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.552 -9.793 -3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.966 -9.091 -3.567 1.00 0.00 H new ATOM 1160 N ALA A 72 4.982 -8.681 -7.168 1.00 0.00 N ATOM 1161 CA ALA A 72 5.959 -8.903 -8.273 1.00 0.00 C ATOM 1162 C ALA A 72 5.260 -8.751 -9.627 1.00 0.00 C ATOM 1163 O ALA A 72 5.387 -7.739 -10.287 1.00 0.00 O ATOM 1164 CB ALA A 72 6.542 -10.313 -8.159 1.00 0.00 C ATOM 0 H ALA A 72 4.726 -9.516 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 72 6.758 -8.166 -8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.256 -10.478 -8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.047 -10.421 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.738 -11.046 -8.231 1.00 0.00 H new ATOM 1170 N LYS A 73 4.526 -9.745 -10.047 1.00 0.00 N ATOM 1171 CA LYS A 73 3.825 -9.652 -11.360 1.00 0.00 C ATOM 1172 C LYS A 73 2.911 -8.426 -11.358 1.00 0.00 C ATOM 1173 O LYS A 73 2.749 -7.756 -12.359 1.00 0.00 O ATOM 1174 CB LYS A 73 2.985 -10.911 -11.582 1.00 0.00 C ATOM 1175 CG LYS A 73 2.365 -10.871 -12.981 1.00 0.00 C ATOM 1176 CD LYS A 73 1.475 -12.098 -13.182 1.00 0.00 C ATOM 1177 CE LYS A 73 0.982 -12.139 -14.629 1.00 0.00 C ATOM 1178 NZ LYS A 73 1.320 -13.460 -15.231 1.00 0.00 N ATOM 0 H LYS A 73 4.381 -10.617 -9.538 1.00 0.00 H new ATOM 0 HA LYS A 73 4.560 -9.561 -12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.607 -11.800 -11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.201 -10.976 -10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.779 -9.960 -13.104 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.150 -10.850 -13.737 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.032 -13.006 -12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.627 -12.061 -12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.095 -11.977 -14.662 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.443 -11.336 -15.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.985 -13.489 -16.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.351 -13.597 -15.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.860 -14.217 -14.687 1.00 0.00 H new ATOM 1192 N TYR A 74 2.315 -8.129 -10.239 1.00 0.00 N ATOM 1193 CA TYR A 74 1.412 -6.946 -10.159 1.00 0.00 C ATOM 1194 C TYR A 74 2.183 -5.687 -10.569 1.00 0.00 C ATOM 1195 O TYR A 74 1.758 -4.943 -11.432 1.00 0.00 O ATOM 1196 CB TYR A 74 0.928 -6.822 -8.715 1.00 0.00 C ATOM 1197 CG TYR A 74 0.015 -5.634 -8.560 1.00 0.00 C ATOM 1198 CD1 TYR A 74 -1.359 -5.757 -8.807 1.00 0.00 C ATOM 1199 CD2 TYR A 74 0.542 -4.413 -8.139 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -2.200 -4.651 -8.636 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -0.298 -3.313 -7.962 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.665 -3.427 -8.210 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.483 -2.334 -8.025 1.00 0.00 O ATOM 0 H TYR A 74 2.414 -8.656 -9.372 1.00 0.00 H new ATOM 0 HA TYR A 74 0.561 -7.063 -10.829 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.403 -7.731 -8.423 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.783 -6.719 -8.047 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.768 -6.703 -9.129 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.601 -4.319 -7.950 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.258 -4.740 -8.832 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.112 -2.370 -7.632 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.326 -2.622 -7.616 1.00 0.00 H new ATOM 1213 N ILE A 75 3.329 -5.458 -9.981 1.00 0.00 N ATOM 1214 CA ILE A 75 4.146 -4.264 -10.355 1.00 0.00 C ATOM 1215 C ILE A 75 5.627 -4.613 -10.187 1.00 0.00 C ATOM 1216 O ILE A 75 6.268 -4.216 -9.235 1.00 0.00 O ATOM 1217 CB ILE A 75 3.777 -3.064 -9.462 1.00 0.00 C ATOM 1218 CG1 ILE A 75 2.483 -2.425 -9.984 1.00 0.00 C ATOM 1219 CG2 ILE A 75 4.905 -2.021 -9.495 1.00 0.00 C ATOM 1220 CD1 ILE A 75 2.057 -1.282 -9.059 1.00 0.00 C ATOM 0 H ILE A 75 3.736 -6.048 -9.255 1.00 0.00 H new ATOM 0 HA ILE A 75 3.946 -3.990 -11.391 1.00 0.00 H new ATOM 0 HB ILE A 75 3.635 -3.408 -8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.635 -2.048 -10.995 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.693 -3.174 -10.038 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.637 -1.175 -8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.828 -2.471 -9.129 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.051 -1.676 -10.518 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.138 -0.833 -9.435 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.886 -1.671 -8.055 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.843 -0.528 -9.027 1.00 0.00 H new ATOM 1232 N PRO A 76 6.165 -5.358 -11.112 1.00 0.00 N ATOM 1233 CA PRO A 76 7.589 -5.779 -11.088 1.00 0.00 C ATOM 1234 C PRO A 76 8.520 -4.712 -11.675 1.00 0.00 C ATOM 1235 O PRO A 76 8.147 -3.976 -12.566 1.00 0.00 O ATOM 1236 CB PRO A 76 7.596 -7.031 -11.962 1.00 0.00 C ATOM 1237 CG PRO A 76 6.478 -6.840 -12.938 1.00 0.00 C ATOM 1238 CD PRO A 76 5.465 -5.886 -12.291 1.00 0.00 C ATOM 0 HA PRO A 76 7.951 -5.946 -10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.551 -7.146 -12.476 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.446 -7.929 -11.363 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.852 -6.426 -13.874 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.009 -7.795 -13.176 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.179 -5.087 -12.975 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.550 -6.408 -12.010 1.00 0.00 H new ATOM 1246 N GLY A 77 9.729 -4.629 -11.194 1.00 0.00 N ATOM 1247 CA GLY A 77 10.675 -3.616 -11.739 1.00 0.00 C ATOM 1248 C GLY A 77 10.719 -2.384 -10.830 1.00 0.00 C ATOM 1249 O GLY A 77 11.304 -1.377 -11.176 1.00 0.00 O ATOM 0 H GLY A 77 10.102 -5.217 -10.449 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.672 -4.049 -11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.367 -3.324 -12.743 1.00 0.00 H new ATOM 1253 N THR A 78 10.117 -2.454 -9.670 1.00 0.00 N ATOM 1254 CA THR A 78 10.141 -1.281 -8.745 1.00 0.00 C ATOM 1255 C THR A 78 11.056 -1.590 -7.556 1.00 0.00 C ATOM 1256 O THR A 78 11.501 -2.705 -7.376 1.00 0.00 O ATOM 1257 CB THR A 78 8.722 -0.966 -8.258 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.755 0.189 -7.431 1.00 0.00 O ATOM 1259 CG2 THR A 78 8.157 -2.145 -7.467 1.00 0.00 C ATOM 0 H THR A 78 9.612 -3.270 -9.324 1.00 0.00 H new ATOM 0 HA THR A 78 10.525 -0.409 -9.275 1.00 0.00 H new ATOM 0 HB THR A 78 8.082 -0.785 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.849 0.394 -7.119 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.149 -1.906 -7.128 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.126 -3.029 -8.104 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.793 -2.342 -6.604 1.00 0.00 H new ATOM 1267 N LYS A 79 11.362 -0.601 -6.759 1.00 0.00 N ATOM 1268 CA LYS A 79 12.275 -0.824 -5.599 1.00 0.00 C ATOM 1269 C LYS A 79 11.502 -1.357 -4.389 1.00 0.00 C ATOM 1270 O LYS A 79 12.033 -1.445 -3.300 1.00 0.00 O ATOM 1271 CB LYS A 79 12.947 0.501 -5.227 1.00 0.00 C ATOM 1272 CG LYS A 79 13.790 0.995 -6.406 1.00 0.00 C ATOM 1273 CD LYS A 79 14.576 2.240 -5.988 1.00 0.00 C ATOM 1274 CE LYS A 79 13.611 3.409 -5.772 1.00 0.00 C ATOM 1275 NZ LYS A 79 14.367 4.691 -5.817 1.00 0.00 N ATOM 0 H LYS A 79 11.018 0.354 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 79 13.025 -1.562 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.192 1.244 -4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.576 0.367 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.475 0.212 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.146 1.227 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.132 2.041 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.307 2.496 -6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.838 3.403 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.106 3.305 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.712 5.486 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.089 4.695 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.829 4.789 -6.744 1.00 0.00 H new ATOM 1289 N MET A 80 10.257 -1.715 -4.553 1.00 0.00 N ATOM 1290 CA MET A 80 9.488 -2.236 -3.387 1.00 0.00 C ATOM 1291 C MET A 80 10.030 -3.608 -2.985 1.00 0.00 C ATOM 1292 O MET A 80 9.990 -4.554 -3.747 1.00 0.00 O ATOM 1293 CB MET A 80 8.004 -2.367 -3.750 1.00 0.00 C ATOM 1294 CG MET A 80 7.412 -0.978 -3.995 1.00 0.00 C ATOM 1295 SD MET A 80 5.854 -0.812 -3.086 1.00 0.00 S ATOM 1296 CE MET A 80 4.741 -1.224 -4.453 1.00 0.00 C ATOM 0 H MET A 80 9.744 -1.670 -5.433 1.00 0.00 H new ATOM 0 HA MET A 80 9.595 -1.539 -2.555 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.890 -2.984 -4.641 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.465 -2.867 -2.945 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.116 -0.210 -3.674 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.241 -0.828 -5.061 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.724 -0.929 -4.196 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.056 -0.694 -5.352 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.772 -2.298 -4.636 1.00 0.00 H new ATOM 1306 N ALA A 81 10.532 -3.722 -1.785 1.00 0.00 N ATOM 1307 CA ALA A 81 11.074 -5.028 -1.316 1.00 0.00 C ATOM 1308 C ALA A 81 10.082 -5.650 -0.336 1.00 0.00 C ATOM 1309 O ALA A 81 10.448 -6.396 0.552 1.00 0.00 O ATOM 1310 CB ALA A 81 12.412 -4.804 -0.614 1.00 0.00 C ATOM 0 H ALA A 81 10.590 -2.962 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 81 11.223 -5.694 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.808 -5.760 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.116 -4.348 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.268 -4.143 0.241 1.00 0.00 H new ATOM 1316 N PHE A 82 8.827 -5.336 -0.487 1.00 0.00 N ATOM 1317 CA PHE A 82 7.795 -5.889 0.435 1.00 0.00 C ATOM 1318 C PHE A 82 7.348 -7.269 -0.054 1.00 0.00 C ATOM 1319 O PHE A 82 7.031 -7.457 -1.212 1.00 0.00 O ATOM 1320 CB PHE A 82 6.593 -4.943 0.454 1.00 0.00 C ATOM 1321 CG PHE A 82 5.548 -5.467 1.408 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.576 -5.092 2.756 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.546 -6.326 0.941 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.602 -5.577 3.638 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.573 -6.809 1.821 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.600 -6.435 3.169 1.00 0.00 C ATOM 0 H PHE A 82 8.468 -4.716 -1.214 1.00 0.00 H new ATOM 0 HA PHE A 82 8.212 -5.984 1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.908 -3.945 0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.173 -4.854 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.349 -4.429 3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.525 -6.616 -0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.624 -5.289 4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.800 -7.471 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.848 -6.808 3.848 1.00 0.00 H new ATOM 1336 N GLY A 83 7.317 -8.235 0.825 1.00 0.00 N ATOM 1337 CA GLY A 83 6.883 -9.602 0.417 1.00 0.00 C ATOM 1338 C GLY A 83 5.362 -9.620 0.265 1.00 0.00 C ATOM 1339 O GLY A 83 4.649 -8.968 0.998 1.00 0.00 O ATOM 0 H GLY A 83 7.573 -8.136 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.358 -9.882 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.195 -10.334 1.162 1.00 0.00 H new ATOM 1343 N GLY A 84 4.857 -10.357 -0.685 1.00 0.00 N ATOM 1344 CA GLY A 84 3.381 -10.402 -0.879 1.00 0.00 C ATOM 1345 C GLY A 84 2.737 -11.275 0.202 1.00 0.00 C ATOM 1346 O GLY A 84 3.279 -12.286 0.601 1.00 0.00 O ATOM 0 H GLY A 84 5.400 -10.928 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.969 -9.394 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.148 -10.800 -1.866 1.00 0.00 H new ATOM 1350 N LEU A 85 1.579 -10.893 0.672 1.00 0.00 N ATOM 1351 CA LEU A 85 0.895 -11.703 1.721 1.00 0.00 C ATOM 1352 C LEU A 85 -0.207 -12.538 1.065 1.00 0.00 C ATOM 1353 O LEU A 85 -0.893 -12.082 0.174 1.00 0.00 O ATOM 1354 CB LEU A 85 0.265 -10.771 2.760 1.00 0.00 C ATOM 1355 CG LEU A 85 1.302 -9.759 3.247 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.699 -8.907 4.365 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.533 -10.494 3.780 1.00 0.00 C ATOM 0 H LEU A 85 1.078 -10.056 0.375 1.00 0.00 H new ATOM 0 HA LEU A 85 1.619 -12.355 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.588 -10.250 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.112 -11.352 3.602 1.00 0.00 H new ATOM 0 HG LEU A 85 1.595 -9.119 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.439 -8.186 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.175 -8.377 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.403 -9.550 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.269 -9.768 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.241 -11.138 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.967 -11.100 2.985 1.00 0.00 H new ATOM 1369 N LYS A 86 -0.392 -13.754 1.503 1.00 0.00 N ATOM 1370 CA LYS A 86 -1.458 -14.601 0.900 1.00 0.00 C ATOM 1371 C LYS A 86 -2.793 -14.251 1.554 1.00 0.00 C ATOM 1372 O LYS A 86 -3.602 -13.532 1.003 1.00 0.00 O ATOM 1373 CB LYS A 86 -1.150 -16.075 1.160 1.00 0.00 C ATOM 1374 CG LYS A 86 0.201 -16.433 0.546 1.00 0.00 C ATOM 1375 CD LYS A 86 0.459 -17.927 0.730 1.00 0.00 C ATOM 1376 CE LYS A 86 1.901 -18.242 0.336 1.00 0.00 C ATOM 1377 NZ LYS A 86 2.036 -19.700 0.057 1.00 0.00 N ATOM 0 H LYS A 86 0.147 -14.195 2.249 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.504 -14.423 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.136 -16.270 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.933 -16.701 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.211 -16.178 -0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.994 -15.854 1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.282 -18.213 1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.232 -18.505 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.182 -17.665 -0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.580 -17.950 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.018 -19.913 -0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.785 -20.241 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.400 -19.965 -0.722 1.00 0.00 H new ATOM 1391 N LYS A 87 -3.020 -14.752 2.736 1.00 0.00 N ATOM 1392 CA LYS A 87 -4.290 -14.448 3.448 1.00 0.00 C ATOM 1393 C LYS A 87 -3.999 -14.293 4.942 1.00 0.00 C ATOM 1394 O LYS A 87 -3.512 -15.204 5.583 1.00 0.00 O ATOM 1395 CB LYS A 87 -5.284 -15.592 3.235 1.00 0.00 C ATOM 1396 CG LYS A 87 -6.616 -15.242 3.901 1.00 0.00 C ATOM 1397 CD LYS A 87 -7.587 -16.415 3.746 1.00 0.00 C ATOM 1398 CE LYS A 87 -8.966 -16.007 4.268 1.00 0.00 C ATOM 1399 NZ LYS A 87 -9.388 -14.735 3.618 1.00 0.00 N ATOM 0 H LYS A 87 -2.377 -15.362 3.241 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.718 -13.524 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.433 -15.765 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.887 -16.516 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.460 -15.022 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.037 -14.345 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.655 -16.709 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.219 -17.281 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.692 -16.793 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.934 -15.881 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.424 -14.656 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.963 -13.930 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.072 -14.730 2.627 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.288 -13.151 5.506 1.00 0.00 N ATOM 1414 CA GLU A 88 -4.015 -12.961 6.958 1.00 0.00 C ATOM 1415 C GLU A 88 -4.821 -11.773 7.489 1.00 0.00 C ATOM 1416 O GLU A 88 -5.059 -10.802 6.792 1.00 0.00 O ATOM 1417 CB GLU A 88 -2.522 -12.698 7.161 1.00 0.00 C ATOM 1418 CG GLU A 88 -2.199 -12.709 8.657 1.00 0.00 C ATOM 1419 CD GLU A 88 -0.730 -12.333 8.865 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -0.062 -12.065 7.880 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -0.299 -12.319 10.006 1.00 0.00 O ATOM 0 H GLU A 88 -4.698 -12.348 5.028 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.307 -13.860 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.935 -13.458 6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.249 -11.736 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.844 -12.006 9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.395 -13.696 9.075 1.00 0.00 H new ATOM 1428 N LYS A 89 -5.234 -11.835 8.726 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.012 -10.706 9.303 1.00 0.00 C ATOM 1430 C LYS A 89 -5.188 -9.427 9.171 1.00 0.00 C ATOM 1431 O LYS A 89 -5.717 -8.354 8.954 1.00 0.00 O ATOM 1432 CB LYS A 89 -6.298 -10.982 10.780 1.00 0.00 C ATOM 1433 CG LYS A 89 -7.194 -12.214 10.906 1.00 0.00 C ATOM 1434 CD LYS A 89 -7.573 -12.423 12.374 1.00 0.00 C ATOM 1435 CE LYS A 89 -8.371 -13.721 12.517 1.00 0.00 C ATOM 1436 NZ LYS A 89 -8.179 -14.273 13.888 1.00 0.00 N ATOM 0 H LYS A 89 -5.066 -12.617 9.359 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.958 -10.596 8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.364 -11.142 11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.783 -10.118 11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.092 -12.086 10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.676 -13.094 10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.675 -12.467 12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.164 -11.580 12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.429 -13.532 12.334 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.043 -14.446 11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.721 -15.155 13.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.170 -14.467 14.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.512 -13.582 14.590 1.00 0.00 H new ATOM 1450 N ASP A 90 -3.892 -9.533 9.289 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.032 -8.331 9.160 1.00 0.00 C ATOM 1452 C ASP A 90 -3.284 -7.686 7.798 1.00 0.00 C ATOM 1453 O ASP A 90 -3.315 -6.480 7.670 1.00 0.00 O ATOM 1454 CB ASP A 90 -1.563 -8.745 9.269 1.00 0.00 C ATOM 1455 CG ASP A 90 -1.277 -9.250 10.683 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -2.114 -9.043 11.545 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -0.226 -9.837 10.880 1.00 0.00 O ATOM 0 H ASP A 90 -3.394 -10.405 9.470 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.265 -7.619 9.952 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.339 -9.525 8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.918 -7.898 9.037 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.474 -8.480 6.776 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.735 -7.899 5.432 1.00 0.00 C ATOM 1464 C ARG A 91 -4.966 -7.000 5.510 1.00 0.00 C ATOM 1465 O ARG A 91 -4.970 -5.891 5.015 1.00 0.00 O ATOM 1466 CB ARG A 91 -3.993 -9.023 4.425 1.00 0.00 C ATOM 1467 CG ARG A 91 -4.261 -8.420 3.044 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.534 -9.539 2.038 1.00 0.00 C ATOM 1469 NE ARG A 91 -5.785 -10.254 2.417 1.00 0.00 N ATOM 1470 CZ ARG A 91 -6.940 -9.657 2.302 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -7.000 -8.433 1.852 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -8.035 -10.283 2.637 1.00 0.00 N ATOM 0 H ARG A 91 -3.459 -9.499 6.816 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.870 -7.319 5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.133 -9.691 4.381 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.846 -9.622 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.115 -7.744 3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.404 -7.829 2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.629 -9.125 1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.696 -10.236 2.017 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.739 -11.211 2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.144 -7.943 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.903 -7.966 1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.988 -11.239 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.937 -9.816 2.547 1.00 0.00 H new ATOM 1486 N ASN A 92 -6.011 -7.467 6.139 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.235 -6.629 6.255 1.00 0.00 C ATOM 1488 C ASN A 92 -6.932 -5.400 7.115 1.00 0.00 C ATOM 1489 O ASN A 92 -7.329 -4.295 6.801 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.350 -7.446 6.907 1.00 0.00 C ATOM 1491 CG ASN A 92 -8.960 -8.399 5.878 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.650 -9.573 5.861 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.825 -7.937 5.015 1.00 0.00 N ATOM 0 H ASN A 92 -6.069 -8.387 6.575 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.552 -6.308 5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.954 -8.011 7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.118 -6.781 7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.241 -8.563 4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.084 -6.951 5.031 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.235 -5.587 8.202 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.906 -4.439 9.088 1.00 0.00 C ATOM 1502 C ASP A 93 -4.947 -3.484 8.373 1.00 0.00 C ATOM 1503 O ASP A 93 -5.058 -2.279 8.486 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.246 -4.966 10.361 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.252 -5.810 11.146 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.426 -5.755 10.817 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.831 -6.497 12.062 1.00 0.00 O ATOM 0 H ASP A 93 -5.878 -6.490 8.514 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.820 -3.901 9.339 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.371 -5.565 10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.897 -4.135 10.973 1.00 0.00 H new ATOM 1512 N LEU A 94 -4.000 -4.011 7.644 1.00 0.00 N ATOM 1513 CA LEU A 94 -3.031 -3.128 6.934 1.00 0.00 C ATOM 1514 C LEU A 94 -3.786 -2.151 6.036 1.00 0.00 C ATOM 1515 O LEU A 94 -3.511 -0.966 6.024 1.00 0.00 O ATOM 1516 CB LEU A 94 -2.092 -3.987 6.084 1.00 0.00 C ATOM 1517 CG LEU A 94 -1.085 -3.089 5.366 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.260 -2.319 6.395 1.00 0.00 C ATOM 1519 CD2 LEU A 94 -0.154 -3.953 4.516 1.00 0.00 C ATOM 0 H LEU A 94 -3.856 -5.012 7.510 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.450 -2.566 7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.569 -4.705 6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.666 -4.561 5.357 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.618 -2.384 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.457 -1.679 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.922 -1.705 7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.274 -3.023 7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.566 -3.316 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.377 -4.656 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.740 -4.505 3.781 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.745 -2.626 5.292 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.519 -1.710 4.411 1.00 0.00 C ATOM 1533 C ILE A 95 -6.319 -0.743 5.283 1.00 0.00 C ATOM 1534 O ILE A 95 -6.424 0.432 4.996 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.466 -2.526 3.533 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.649 -3.503 2.683 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -7.255 -1.586 2.619 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.594 -4.420 1.903 1.00 0.00 C ATOM 0 H ILE A 95 -5.025 -3.606 5.256 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.840 -1.147 3.771 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.161 -3.082 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.008 -2.953 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.995 -4.097 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.930 -2.169 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.833 -0.889 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.564 -1.029 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.010 -5.115 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.216 -4.980 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.230 -3.819 1.253 1.00 0.00 H new ATOM 1550 N THR A 96 -6.882 -1.236 6.352 1.00 0.00 N ATOM 1551 CA THR A 96 -7.674 -0.364 7.258 1.00 0.00 C ATOM 1552 C THR A 96 -6.783 0.753 7.809 1.00 0.00 C ATOM 1553 O THR A 96 -7.206 1.884 7.944 1.00 0.00 O ATOM 1554 CB THR A 96 -8.219 -1.200 8.420 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.943 -2.308 7.906 1.00 0.00 O ATOM 1556 CG2 THR A 96 -9.145 -0.338 9.280 1.00 0.00 C ATOM 0 H THR A 96 -6.825 -2.214 6.637 1.00 0.00 H new ATOM 0 HA THR A 96 -8.502 0.076 6.703 1.00 0.00 H new ATOM 0 HB THR A 96 -7.390 -1.559 9.030 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.315 -2.998 7.607 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.533 -0.933 10.107 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.588 0.512 9.675 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.975 0.023 8.672 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.556 0.448 8.139 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.655 1.503 8.688 1.00 0.00 C ATOM 1566 C TYR A 97 -4.528 2.638 7.671 1.00 0.00 C ATOM 1567 O TYR A 97 -4.723 3.794 7.990 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.275 0.903 8.965 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.400 1.939 9.630 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.485 2.143 11.013 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.505 2.696 8.866 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.674 3.102 11.630 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.693 3.656 9.482 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.779 3.860 10.865 1.00 0.00 C ATOM 1575 OH TYR A 97 0.021 4.806 11.473 1.00 0.00 O ATOM 0 H TYR A 97 -5.141 -0.480 8.053 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.071 1.892 9.617 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.370 0.026 9.606 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.818 0.569 8.033 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.177 1.560 11.603 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.440 2.540 7.799 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.738 3.258 12.697 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -0.001 4.238 8.892 1.00 0.00 H new ATOM 0 HH TYR A 97 0.584 5.241 10.799 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.228 2.318 6.442 1.00 0.00 N ATOM 1586 CA LEU A 98 -4.117 3.380 5.405 1.00 0.00 C ATOM 1587 C LEU A 98 -5.511 3.939 5.135 1.00 0.00 C ATOM 1588 O LEU A 98 -5.681 5.099 4.819 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.540 2.788 4.115 1.00 0.00 C ATOM 1590 CG LEU A 98 -2.100 2.333 4.358 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.542 1.697 3.084 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.247 3.546 4.732 1.00 0.00 C ATOM 0 H LEU A 98 -4.055 1.368 6.112 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.456 4.173 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.148 1.945 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.568 3.531 3.318 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.080 1.603 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.516 1.373 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.152 0.837 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.560 2.427 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.219 3.228 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.269 4.271 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.644 4.004 5.638 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.510 3.112 5.256 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.901 3.572 5.007 1.00 0.00 C ATOM 1606 C LYS A 99 -8.212 4.770 5.909 1.00 0.00 C ATOM 1607 O LYS A 99 -8.755 5.766 5.473 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.865 2.432 5.341 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.277 2.797 4.892 1.00 0.00 C ATOM 1610 CD LYS A 99 -11.259 1.722 5.365 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.672 2.082 4.903 1.00 0.00 C ATOM 1612 NZ LYS A 99 -13.404 0.840 4.530 1.00 0.00 N ATOM 0 H LYS A 99 -6.421 2.130 5.519 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.011 3.864 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.543 1.515 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.854 2.237 6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.560 3.767 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.313 2.885 3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.971 0.750 4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.230 1.641 6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.204 2.605 5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.626 2.760 4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.400 0.925 4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.350 0.701 3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.974 0.025 5.012 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.873 4.679 7.167 1.00 0.00 N ATOM 1627 CA LYS A 100 -8.150 5.809 8.103 1.00 0.00 C ATOM 1628 C LYS A 100 -7.363 7.046 7.672 1.00 0.00 C ATOM 1629 O LYS A 100 -7.886 8.141 7.614 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.717 5.413 9.512 1.00 0.00 C ATOM 1631 CG LYS A 100 -8.598 4.274 10.021 1.00 0.00 C ATOM 1632 CD LYS A 100 -8.199 3.940 11.456 1.00 0.00 C ATOM 1633 CE LYS A 100 -9.096 2.822 11.993 1.00 0.00 C ATOM 1634 NZ LYS A 100 -8.547 2.321 13.284 1.00 0.00 N ATOM 0 H LYS A 100 -7.416 3.870 7.588 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.217 6.033 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.672 5.103 9.508 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.793 6.271 10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.648 4.563 9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.484 3.396 9.385 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.155 3.630 11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.290 4.826 12.085 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.111 3.193 12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.153 2.008 11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.096 1.496 13.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.552 2.046 13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.609 3.071 14.002 1.00 0.00 H new ATOM 1648 N ALA A 101 -6.109 6.874 7.378 1.00 0.00 N ATOM 1649 CA ALA A 101 -5.273 8.035 6.957 1.00 0.00 C ATOM 1650 C ALA A 101 -5.836 8.634 5.668 1.00 0.00 C ATOM 1651 O ALA A 101 -5.805 9.831 5.463 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.836 7.567 6.716 1.00 0.00 C ATOM 0 H ALA A 101 -5.622 5.978 7.410 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.284 8.791 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.224 8.415 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.432 7.143 7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.827 6.809 5.932 1.00 0.00 H new