USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=33 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 49 THR OG1 : rot -179:sc=0.000119 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= -0.341 USER MOD Set 2.1: A 67 HIS : no HE2:sc= 0.465 K(o=0.46,f=-12!) USER MOD Set 2.2: A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 63 ASN : amide:sc= -1.72! C(o=-4.3!,f=-7.6!) USER MOD Set 3.2: A 74 TYR OH : rot -51:sc= -2.58! USER MOD Set 4.1: A 19 THR OG1 : rot -90:sc= -0.205 USER MOD Set 4.2: A 31 ASN :FLIP amide:sc= -0.276 F(o=-4.5!,f=-0.48) USER MOD Single : A 2 SER OG : rot -61:sc= -2.79! USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= -0.109 (180deg=-0.701) USER MOD Single : A 5 LYS NZ :NH3+ 157:sc= -0.119 (180deg=-0.617) USER MOD Single : A 8 THR OG1 : rot -35:sc= 0.909 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+ -161:sc= -0.0529 (180deg=-0.672) USER MOD Single : A 12 THR OG1 : rot -25:sc= 1.03 USER MOD Single : A 14 CYS SG : rot -102:sc= -2.99! USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.788 K(o=0.79,f=-6.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-4.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 39 HIS : no HD1:sc= -7.31! C(o=-7.3!,f=-7.8!) USER MOD Single : A 40 SER OG : rot 42:sc= -0.103! USER MOD Single : A 42 GLN : amide:sc= -1.61 K(o=-1.6,f=-3.9!) USER MOD Single : A 46 TYR OH : rot 78:sc= 1.1 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= -0.203 (180deg=-1.14) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 0.262 (180deg=0.205) USER MOD Single : A 56 ASN :FLIP amide:sc= -6.01! C(o=-8.3!,f=-6!) USER MOD Single : A 62 ASN : amide:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 64 MET CE :methyl -176:sc= -3.09 (180deg=-3.2) USER MOD Single : A 65 SER OG : rot 75:sc= -1.04 USER MOD Single : A 69 THR OG1 : rot 79:sc= -1.47! USER MOD Single : A 70 ASN :FLIP amide:sc= -1.42 F(o=-3,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0824 (180deg=-0.53) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -123:sc= -0.333 (180deg=-1.46) USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.043) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.8!) USER MOD Single : A 96 THR OG1 : rot 82:sc= 0.477 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 156:sc= -1.68 (180deg=-2.29) USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -14.803 -6.200 1.716 1.00 0.00 N ATOM 33 CA PHE A -3 -13.641 -5.830 2.571 1.00 0.00 C ATOM 34 C PHE A -3 -14.088 -5.702 4.028 1.00 0.00 C ATOM 35 O PHE A -3 -15.051 -5.027 4.335 1.00 0.00 O ATOM 36 CB PHE A -3 -13.064 -4.494 2.099 1.00 0.00 C ATOM 37 CG PHE A -3 -11.916 -4.096 2.996 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.658 -4.688 2.833 1.00 0.00 C ATOM 39 CD2 PHE A -3 -12.115 -3.138 3.998 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.599 -4.318 3.671 1.00 0.00 C ATOM 41 CE2 PHE A -3 -11.056 -2.769 4.836 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.799 -3.361 4.673 1.00 0.00 C ATOM 0 H1 PHE A -3 -14.493 -6.286 0.727 1.00 0.00 H new ATOM 0 H2 PHE A -3 -15.194 -7.109 2.036 1.00 0.00 H new ATOM 0 H3 PHE A -3 -15.535 -5.464 1.787 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.879 -6.606 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -12.721 -4.578 1.068 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -13.837 -3.725 2.117 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -10.505 -5.429 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -13.086 -2.683 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -8.627 -4.771 3.544 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -11.209 -2.028 5.607 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.982 -3.079 5.321 1.00 0.00 H new ATOM 52 N LYS A -2 -13.393 -6.342 4.926 1.00 0.00 N ATOM 53 CA LYS A -2 -13.770 -6.256 6.364 1.00 0.00 C ATOM 54 C LYS A -2 -13.182 -4.976 6.962 1.00 0.00 C ATOM 55 O LYS A -2 -12.081 -4.578 6.634 1.00 0.00 O ATOM 56 CB LYS A -2 -13.218 -7.471 7.112 1.00 0.00 C ATOM 57 CG LYS A -2 -13.861 -7.550 8.498 1.00 0.00 C ATOM 58 CD LYS A -2 -13.123 -8.591 9.344 1.00 0.00 C ATOM 59 CE LYS A -2 -13.330 -9.983 8.743 1.00 0.00 C ATOM 60 NZ LYS A -2 -13.578 -10.964 9.837 1.00 0.00 N ATOM 0 H LYS A -2 -12.578 -6.922 4.726 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.856 -6.239 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -13.425 -8.382 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -12.135 -7.393 7.205 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -13.822 -6.576 8.985 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -14.913 -7.819 8.408 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.060 -8.355 9.382 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -13.492 -8.568 10.369 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -14.173 -9.971 8.053 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -12.452 -10.277 8.168 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -13.719 -11.910 9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -12.760 -10.982 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -14.428 -10.685 10.367 1.00 0.00 H new ATOM 74 N ALA A -1 -13.908 -4.325 7.829 1.00 0.00 N ATOM 75 CA ALA A -1 -13.386 -3.070 8.443 1.00 0.00 C ATOM 76 C ALA A -1 -11.930 -3.276 8.864 1.00 0.00 C ATOM 77 O ALA A -1 -11.218 -2.335 9.155 1.00 0.00 O ATOM 78 CB ALA A -1 -14.227 -2.716 9.672 1.00 0.00 C ATOM 0 H ALA A -1 -14.838 -4.607 8.139 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.443 -2.259 7.717 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -13.846 -1.799 10.122 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.265 -2.570 9.373 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.170 -3.527 10.398 1.00 0.00 H new ATOM 84 N GLY A 1 -11.479 -4.500 8.896 1.00 0.00 N ATOM 85 CA GLY A 1 -10.070 -4.769 9.292 1.00 0.00 C ATOM 86 C GLY A 1 -9.893 -4.490 10.786 1.00 0.00 C ATOM 87 O GLY A 1 -10.213 -3.424 11.271 1.00 0.00 O ATOM 0 H GLY A 1 -12.029 -5.327 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.812 -5.805 9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.393 -4.142 8.712 1.00 0.00 H new ATOM 91 N SER A 2 -9.382 -5.441 11.517 1.00 0.00 N ATOM 92 CA SER A 2 -9.180 -5.233 12.978 1.00 0.00 C ATOM 93 C SER A 2 -8.171 -4.102 13.190 1.00 0.00 C ATOM 94 O SER A 2 -8.095 -3.515 14.250 1.00 0.00 O ATOM 95 CB SER A 2 -8.646 -6.519 13.610 1.00 0.00 C ATOM 96 OG SER A 2 -7.322 -6.754 13.150 1.00 0.00 O ATOM 0 H SER A 2 -9.095 -6.354 11.165 1.00 0.00 H new ATOM 0 HA SER A 2 -10.129 -4.970 13.445 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.656 -6.435 14.697 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.289 -7.360 13.349 1.00 0.00 H new ATOM 0 HG SER A 2 -7.328 -6.857 12.175 1.00 0.00 H new ATOM 102 N ALA A 3 -7.393 -3.795 12.186 1.00 0.00 N ATOM 103 CA ALA A 3 -6.387 -2.707 12.326 1.00 0.00 C ATOM 104 C ALA A 3 -5.412 -3.058 13.452 1.00 0.00 C ATOM 105 O ALA A 3 -5.056 -4.204 13.642 1.00 0.00 O ATOM 106 CB ALA A 3 -7.099 -1.394 12.662 1.00 0.00 C ATOM 0 H ALA A 3 -7.412 -4.253 11.275 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.840 -2.595 11.390 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.363 -0.597 12.765 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.796 -1.143 11.863 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.646 -1.506 13.598 1.00 0.00 H new ATOM 112 N LYS A 4 -4.978 -2.082 14.199 1.00 0.00 N ATOM 113 CA LYS A 4 -4.027 -2.359 15.311 1.00 0.00 C ATOM 114 C LYS A 4 -2.789 -3.076 14.765 1.00 0.00 C ATOM 115 O LYS A 4 -1.756 -2.472 14.555 1.00 0.00 O ATOM 116 CB LYS A 4 -4.708 -3.245 16.357 1.00 0.00 C ATOM 117 CG LYS A 4 -3.795 -3.388 17.576 1.00 0.00 C ATOM 118 CD LYS A 4 -4.447 -4.325 18.596 1.00 0.00 C ATOM 119 CE LYS A 4 -3.609 -4.348 19.876 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.174 -4.546 19.526 1.00 0.00 N ATOM 0 H LYS A 4 -5.241 -1.103 14.087 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.726 -1.417 15.770 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.662 -2.809 16.653 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.924 -4.226 15.934 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.825 -3.782 17.273 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.616 -2.411 18.026 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.460 -3.990 18.818 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.527 -5.331 18.183 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.735 -3.414 20.423 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.949 -5.150 20.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.659 -4.896 20.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.097 -5.240 18.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.763 -3.641 19.220 1.00 0.00 H new ATOM 134 N LYS A 5 -2.879 -4.359 14.542 1.00 0.00 N ATOM 135 CA LYS A 5 -1.700 -5.105 14.019 1.00 0.00 C ATOM 136 C LYS A 5 -1.252 -4.500 12.686 1.00 0.00 C ATOM 137 O LYS A 5 -0.077 -4.310 12.446 1.00 0.00 O ATOM 138 CB LYS A 5 -2.077 -6.574 13.810 1.00 0.00 C ATOM 139 CG LYS A 5 -2.402 -7.212 15.162 1.00 0.00 C ATOM 140 CD LYS A 5 -2.663 -8.708 14.971 1.00 0.00 C ATOM 141 CE LYS A 5 -3.100 -9.325 16.302 1.00 0.00 C ATOM 142 NZ LYS A 5 -4.407 -8.743 16.714 1.00 0.00 N ATOM 0 H LYS A 5 -3.716 -4.921 14.699 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.884 -5.035 14.738 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.937 -6.649 13.144 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.255 -7.107 13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.574 -7.062 15.855 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.277 -6.733 15.601 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.435 -8.860 14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.762 -9.202 14.608 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.187 -10.407 16.202 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.348 -9.135 17.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.888 -9.396 17.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.247 -7.833 17.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.000 -8.593 15.873 1.00 0.00 H new ATOM 156 N GLY A 6 -2.178 -4.190 11.817 1.00 0.00 N ATOM 157 CA GLY A 6 -1.791 -3.593 10.507 1.00 0.00 C ATOM 158 C GLY A 6 -1.025 -2.291 10.745 1.00 0.00 C ATOM 159 O GLY A 6 -0.132 -1.941 9.999 1.00 0.00 O ATOM 0 H GLY A 6 -3.179 -4.324 11.957 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.173 -4.293 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.680 -3.400 9.907 1.00 0.00 H new ATOM 163 N ALA A 7 -1.372 -1.565 11.773 1.00 0.00 N ATOM 164 CA ALA A 7 -0.665 -0.283 12.049 1.00 0.00 C ATOM 165 C ALA A 7 0.820 -0.557 12.279 1.00 0.00 C ATOM 166 O ALA A 7 1.678 0.105 11.730 1.00 0.00 O ATOM 167 CB ALA A 7 -1.261 0.370 13.296 1.00 0.00 C ATOM 0 H ALA A 7 -2.113 -1.804 12.432 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.783 0.386 11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.744 1.308 13.498 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.320 0.568 13.132 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.144 -0.299 14.148 1.00 0.00 H new ATOM 173 N THR A 8 1.134 -1.535 13.082 1.00 0.00 N ATOM 174 CA THR A 8 2.563 -1.853 13.338 1.00 0.00 C ATOM 175 C THR A 8 3.158 -2.514 12.093 1.00 0.00 C ATOM 176 O THR A 8 4.298 -2.287 11.745 1.00 0.00 O ATOM 177 CB THR A 8 2.662 -2.810 14.526 1.00 0.00 C ATOM 178 OG1 THR A 8 2.056 -4.049 14.186 1.00 0.00 O ATOM 179 CG2 THR A 8 1.946 -2.203 15.733 1.00 0.00 C ATOM 0 H THR A 8 0.462 -2.127 13.571 1.00 0.00 H new ATOM 0 HA THR A 8 3.113 -0.939 13.564 1.00 0.00 H new ATOM 0 HB THR A 8 3.711 -2.975 14.774 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.282 -3.887 13.607 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.017 -2.886 16.580 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.413 -1.253 15.993 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.897 -2.037 15.488 1.00 0.00 H new ATOM 187 N LEU A 9 2.387 -3.318 11.409 1.00 0.00 N ATOM 188 CA LEU A 9 2.912 -3.972 10.180 1.00 0.00 C ATOM 189 C LEU A 9 3.357 -2.875 9.218 1.00 0.00 C ATOM 190 O LEU A 9 4.387 -2.962 8.582 1.00 0.00 O ATOM 191 CB LEU A 9 1.806 -4.805 9.529 1.00 0.00 C ATOM 192 CG LEU A 9 2.380 -5.602 8.358 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.950 -6.925 8.870 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.272 -5.886 7.342 1.00 0.00 C ATOM 0 H LEU A 9 1.422 -3.548 11.648 1.00 0.00 H new ATOM 0 HA LEU A 9 3.748 -4.627 10.425 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.369 -5.482 10.262 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.005 -4.153 9.180 1.00 0.00 H new ATOM 0 HG LEU A 9 3.172 -5.025 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.359 -7.493 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.740 -6.725 9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.158 -7.502 9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.681 -6.454 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.479 -6.462 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.865 -4.944 6.975 1.00 0.00 H new ATOM 206 N PHE A 10 2.584 -1.831 9.131 1.00 0.00 N ATOM 207 CA PHE A 10 2.941 -0.697 8.238 1.00 0.00 C ATOM 208 C PHE A 10 4.245 -0.075 8.737 1.00 0.00 C ATOM 209 O PHE A 10 5.161 0.187 7.979 1.00 0.00 O ATOM 210 CB PHE A 10 1.819 0.344 8.299 1.00 0.00 C ATOM 211 CG PHE A 10 2.092 1.452 7.314 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.727 1.305 5.969 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.708 2.631 7.746 1.00 0.00 C ATOM 214 CE1 PHE A 10 1.985 2.337 5.059 1.00 0.00 C ATOM 215 CE2 PHE A 10 2.964 3.661 6.836 1.00 0.00 C ATOM 216 CZ PHE A 10 2.604 3.515 5.494 1.00 0.00 C ATOM 0 H PHE A 10 1.711 -1.714 9.646 1.00 0.00 H new ATOM 0 HA PHE A 10 3.068 -1.041 7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.862 -0.127 8.074 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.744 0.752 9.307 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.247 0.397 5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.986 2.746 8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.707 2.224 4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.441 4.571 7.171 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.803 4.311 4.792 1.00 0.00 H new ATOM 226 N LYS A 11 4.327 0.162 10.017 1.00 0.00 N ATOM 227 CA LYS A 11 5.554 0.768 10.602 1.00 0.00 C ATOM 228 C LYS A 11 6.750 -0.165 10.400 1.00 0.00 C ATOM 229 O LYS A 11 7.860 0.273 10.167 1.00 0.00 O ATOM 230 CB LYS A 11 5.334 0.976 12.103 1.00 0.00 C ATOM 231 CG LYS A 11 6.458 1.845 12.668 1.00 0.00 C ATOM 232 CD LYS A 11 6.270 2.005 14.178 1.00 0.00 C ATOM 233 CE LYS A 11 7.270 3.033 14.710 1.00 0.00 C ATOM 234 NZ LYS A 11 8.635 2.704 14.209 1.00 0.00 N ATOM 0 H LYS A 11 3.587 -0.041 10.689 1.00 0.00 H new ATOM 0 HA LYS A 11 5.756 1.720 10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.369 1.452 12.277 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.312 0.014 12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.425 1.389 12.458 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.454 2.822 12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.251 2.326 14.397 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.417 1.047 14.677 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.984 4.034 14.388 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.262 3.034 15.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.346 3.178 14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.781 1.675 14.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.732 3.029 13.226 1.00 0.00 H new ATOM 248 N THR A 12 6.536 -1.445 10.522 1.00 0.00 N ATOM 249 CA THR A 12 7.662 -2.413 10.377 1.00 0.00 C ATOM 250 C THR A 12 8.138 -2.507 8.922 1.00 0.00 C ATOM 251 O THR A 12 9.296 -2.772 8.667 1.00 0.00 O ATOM 252 CB THR A 12 7.196 -3.795 10.840 1.00 0.00 C ATOM 253 OG1 THR A 12 6.186 -4.272 9.961 1.00 0.00 O ATOM 254 CG2 THR A 12 6.636 -3.698 12.259 1.00 0.00 C ATOM 0 H THR A 12 5.627 -1.865 10.717 1.00 0.00 H new ATOM 0 HA THR A 12 8.494 -2.062 10.987 1.00 0.00 H new ATOM 0 HB THR A 12 8.040 -4.485 10.832 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.740 -3.512 9.532 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.304 -4.683 12.587 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.412 -3.333 12.932 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.792 -3.009 12.271 1.00 0.00 H new ATOM 262 N ARG A 13 7.272 -2.323 7.962 1.00 0.00 N ATOM 263 CA ARG A 13 7.727 -2.441 6.545 1.00 0.00 C ATOM 264 C ARG A 13 6.940 -1.503 5.627 1.00 0.00 C ATOM 265 O ARG A 13 6.374 -1.933 4.642 1.00 0.00 O ATOM 266 CB ARG A 13 7.523 -3.884 6.073 1.00 0.00 C ATOM 267 CG ARG A 13 8.459 -4.819 6.842 1.00 0.00 C ATOM 268 CD ARG A 13 8.331 -6.239 6.288 1.00 0.00 C ATOM 269 NE ARG A 13 8.911 -6.292 4.915 1.00 0.00 N ATOM 270 CZ ARG A 13 8.762 -7.363 4.185 1.00 0.00 C ATOM 271 NH1 ARG A 13 8.102 -8.387 4.656 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.269 -7.411 2.983 1.00 0.00 N ATOM 0 H ARG A 13 6.285 -2.100 8.092 1.00 0.00 H new ATOM 0 HA ARG A 13 8.780 -2.164 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.487 -4.184 6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.719 -3.957 5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.489 -4.474 6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.210 -4.808 7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.848 -6.943 6.940 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.283 -6.538 6.263 1.00 0.00 H new ATOM 0 HE ARG A 13 9.424 -5.491 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.703 -8.349 5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.985 -9.225 4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.782 -6.611 2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.152 -8.249 2.413 1.00 0.00 H new ATOM 286 N CYS A 14 6.902 -0.228 5.915 1.00 0.00 N ATOM 287 CA CYS A 14 6.151 0.692 5.014 1.00 0.00 C ATOM 288 C CYS A 14 6.362 2.153 5.428 1.00 0.00 C ATOM 289 O CYS A 14 6.686 2.994 4.613 1.00 0.00 O ATOM 290 CB CYS A 14 4.661 0.352 5.073 1.00 0.00 C ATOM 291 SG CYS A 14 3.872 0.816 3.509 1.00 0.00 S ATOM 0 H CYS A 14 7.350 0.209 6.720 1.00 0.00 H new ATOM 0 HA CYS A 14 6.522 0.566 3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.528 -0.714 5.258 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.189 0.880 5.901 1.00 0.00 H new ATOM 0 HG CYS A 14 3.222 1.931 3.665 1.00 0.00 H new ATOM 296 N LEU A 15 6.171 2.467 6.677 1.00 0.00 N ATOM 297 CA LEU A 15 6.348 3.880 7.127 1.00 0.00 C ATOM 298 C LEU A 15 7.753 4.370 6.777 1.00 0.00 C ATOM 299 O LEU A 15 7.949 5.514 6.421 1.00 0.00 O ATOM 300 CB LEU A 15 6.139 3.964 8.642 1.00 0.00 C ATOM 301 CG LEU A 15 6.205 5.426 9.106 1.00 0.00 C ATOM 302 CD1 LEU A 15 4.885 6.137 8.798 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.450 5.460 10.613 1.00 0.00 C ATOM 0 H LEU A 15 5.900 1.809 7.408 1.00 0.00 H new ATOM 0 HA LEU A 15 5.616 4.509 6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.173 3.534 8.908 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.901 3.377 9.155 1.00 0.00 H new ATOM 0 HG LEU A 15 7.015 5.932 8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.943 7.173 9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.700 6.111 7.724 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.070 5.634 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.498 6.495 10.951 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.635 4.949 11.126 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.392 4.960 10.840 1.00 0.00 H new ATOM 315 N GLN A 16 8.735 3.522 6.881 1.00 0.00 N ATOM 316 CA GLN A 16 10.122 3.956 6.561 1.00 0.00 C ATOM 317 C GLN A 16 10.171 4.512 5.137 1.00 0.00 C ATOM 318 O GLN A 16 10.937 5.407 4.836 1.00 0.00 O ATOM 319 CB GLN A 16 11.069 2.759 6.671 1.00 0.00 C ATOM 320 CG GLN A 16 11.108 2.268 8.119 1.00 0.00 C ATOM 321 CD GLN A 16 12.140 1.146 8.250 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.780 0.738 7.190 1.00 0.00 O flip ATOM 323 NE2 GLN A 16 12.363 0.633 9.330 1.00 0.00 N flip ATOM 0 H GLN A 16 8.639 2.549 7.173 1.00 0.00 H new ATOM 0 HA GLN A 16 10.429 4.731 7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.735 1.957 6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.070 3.043 6.345 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.363 3.091 8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.124 1.908 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.862 0.952 10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.051 -0.116 9.406 1.00 0.00 H new ATOM 332 N CYS A 17 9.369 3.983 4.253 1.00 0.00 N ATOM 333 CA CYS A 17 9.386 4.473 2.846 1.00 0.00 C ATOM 334 C CYS A 17 8.207 5.417 2.583 1.00 0.00 C ATOM 335 O CYS A 17 8.360 6.452 1.965 1.00 0.00 O ATOM 336 CB CYS A 17 9.285 3.282 1.902 1.00 0.00 C ATOM 337 SG CYS A 17 10.771 2.261 2.052 1.00 0.00 S ATOM 0 H CYS A 17 8.704 3.234 4.444 1.00 0.00 H new ATOM 0 HA CYS A 17 10.316 5.017 2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.400 2.691 2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.171 3.628 0.875 1.00 0.00 H new ATOM 0 HG CYS A 17 10.682 1.244 1.247 1.00 0.00 H new ATOM 342 N HIS A 18 7.029 5.064 3.027 1.00 0.00 N ATOM 343 CA HIS A 18 5.847 5.939 2.773 1.00 0.00 C ATOM 344 C HIS A 18 5.479 6.708 4.045 1.00 0.00 C ATOM 345 O HIS A 18 5.202 6.128 5.076 1.00 0.00 O ATOM 346 CB HIS A 18 4.661 5.069 2.343 1.00 0.00 C ATOM 347 CG HIS A 18 4.896 4.532 0.958 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.714 5.300 -0.187 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.275 3.293 0.520 1.00 0.00 C ATOM 350 CE1 HIS A 18 4.980 4.514 -1.251 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.325 3.287 -0.867 1.00 0.00 N ATOM 0 H HIS A 18 6.835 4.211 3.552 1.00 0.00 H new ATOM 0 HA HIS A 18 6.090 6.652 1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.530 4.245 3.045 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.742 5.655 2.364 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.431 6.279 -0.217 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.501 2.449 1.155 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.921 4.838 -2.280 1.00 0.00 H new ATOM 359 N THR A 19 5.471 8.014 3.978 1.00 0.00 N ATOM 360 CA THR A 19 5.115 8.822 5.178 1.00 0.00 C ATOM 361 C THR A 19 3.591 8.902 5.311 1.00 0.00 C ATOM 362 O THR A 19 3.062 9.100 6.387 1.00 0.00 O ATOM 363 CB THR A 19 5.691 10.233 5.033 1.00 0.00 C ATOM 364 OG1 THR A 19 5.044 10.895 3.955 1.00 0.00 O ATOM 365 CG2 THR A 19 7.192 10.148 4.756 1.00 0.00 C ATOM 0 H THR A 19 5.696 8.555 3.143 1.00 0.00 H new ATOM 0 HA THR A 19 5.531 8.350 6.068 1.00 0.00 H new ATOM 0 HB THR A 19 5.527 10.791 5.955 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.539 10.730 3.125 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.600 11.153 4.653 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.686 9.638 5.583 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.361 9.592 3.834 1.00 0.00 H new ATOM 373 N VAL A 20 2.885 8.747 4.226 1.00 0.00 N ATOM 374 CA VAL A 20 1.396 8.812 4.283 1.00 0.00 C ATOM 375 C VAL A 20 0.944 10.222 4.674 1.00 0.00 C ATOM 376 O VAL A 20 -0.235 10.496 4.768 1.00 0.00 O ATOM 377 CB VAL A 20 0.881 7.816 5.323 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.565 7.438 4.997 1.00 0.00 C ATOM 379 CG2 VAL A 20 1.751 6.561 5.298 1.00 0.00 C ATOM 0 H VAL A 20 3.275 8.578 3.299 1.00 0.00 H new ATOM 0 HA VAL A 20 0.995 8.565 3.300 1.00 0.00 H new ATOM 0 HB VAL A 20 0.923 8.270 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.932 6.728 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.187 8.333 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.608 6.983 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.385 5.850 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.708 6.108 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.782 6.828 5.530 1.00 0.00 H new ATOM 389 N GLU A 21 1.864 11.118 4.904 1.00 0.00 N ATOM 390 CA GLU A 21 1.462 12.502 5.288 1.00 0.00 C ATOM 391 C GLU A 21 1.516 13.410 4.060 1.00 0.00 C ATOM 392 O GLU A 21 2.549 13.578 3.442 1.00 0.00 O ATOM 393 CB GLU A 21 2.420 13.033 6.357 1.00 0.00 C ATOM 394 CG GLU A 21 2.339 12.147 7.602 1.00 0.00 C ATOM 395 CD GLU A 21 3.239 12.721 8.697 1.00 0.00 C ATOM 396 OE1 GLU A 21 3.986 13.639 8.402 1.00 0.00 O ATOM 397 OE2 GLU A 21 3.165 12.235 9.814 1.00 0.00 O ATOM 0 H GLU A 21 2.869 10.955 4.844 1.00 0.00 H new ATOM 0 HA GLU A 21 0.446 12.488 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.440 13.045 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.163 14.061 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.309 12.091 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.648 11.130 7.358 1.00 0.00 H new ATOM 404 N LYS A 22 0.409 14.003 3.700 1.00 0.00 N ATOM 405 CA LYS A 22 0.398 14.904 2.515 1.00 0.00 C ATOM 406 C LYS A 22 1.182 16.179 2.832 1.00 0.00 C ATOM 407 O LYS A 22 1.914 16.691 2.009 1.00 0.00 O ATOM 408 CB LYS A 22 -1.049 15.260 2.158 1.00 0.00 C ATOM 409 CG LYS A 22 -1.650 16.148 3.253 1.00 0.00 C ATOM 410 CD LYS A 22 -3.138 16.365 2.973 1.00 0.00 C ATOM 411 CE LYS A 22 -3.665 17.490 3.867 1.00 0.00 C ATOM 412 NZ LYS A 22 -3.446 18.803 3.197 1.00 0.00 N ATOM 0 H LYS A 22 -0.487 13.901 4.176 1.00 0.00 H new ATOM 0 HA LYS A 22 0.864 14.398 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.080 15.778 1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.641 14.351 2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.517 15.681 4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.131 17.106 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.289 16.619 1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.693 15.446 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.727 17.344 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.155 17.472 4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.804 19.567 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.429 18.942 3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.952 18.818 2.288 1.00 0.00 H new ATOM 426 N GLY A 23 1.034 16.695 4.023 1.00 0.00 N ATOM 427 CA GLY A 23 1.770 17.936 4.394 1.00 0.00 C ATOM 428 C GLY A 23 3.274 17.695 4.283 1.00 0.00 C ATOM 429 O GLY A 23 4.026 18.566 3.893 1.00 0.00 O ATOM 0 H GLY A 23 0.435 16.310 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.474 18.755 3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.513 18.232 5.411 1.00 0.00 H new ATOM 433 N GLY A 24 3.720 16.519 4.627 1.00 0.00 N ATOM 434 CA GLY A 24 5.178 16.221 4.544 1.00 0.00 C ATOM 435 C GLY A 24 5.582 16.039 3.077 1.00 0.00 C ATOM 436 O GLY A 24 4.768 15.700 2.242 1.00 0.00 O ATOM 0 H GLY A 24 3.138 15.751 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.752 17.033 4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.408 15.318 5.110 1.00 0.00 H new ATOM 440 N PRO A 25 6.833 16.261 2.769 1.00 0.00 N ATOM 441 CA PRO A 25 7.359 16.116 1.380 1.00 0.00 C ATOM 442 C PRO A 25 7.487 14.646 0.967 1.00 0.00 C ATOM 443 O PRO A 25 6.824 13.783 1.508 1.00 0.00 O ATOM 444 CB PRO A 25 8.738 16.775 1.449 1.00 0.00 C ATOM 445 CG PRO A 25 9.166 16.625 2.869 1.00 0.00 C ATOM 446 CD PRO A 25 7.889 16.674 3.709 1.00 0.00 C ATOM 0 HA PRO A 25 6.697 16.567 0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.441 16.291 0.771 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.689 17.825 1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.694 15.683 3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.851 17.423 3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.947 16.002 4.565 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.706 17.675 4.101 1.00 0.00 H new ATOM 454 N HIS A 26 8.337 14.358 0.019 1.00 0.00 N ATOM 455 CA HIS A 26 8.513 12.946 -0.425 1.00 0.00 C ATOM 456 C HIS A 26 9.884 12.440 0.031 1.00 0.00 C ATOM 457 O HIS A 26 10.874 13.138 -0.068 1.00 0.00 O ATOM 458 CB HIS A 26 8.432 12.877 -1.950 1.00 0.00 C ATOM 459 CG HIS A 26 7.060 13.293 -2.406 1.00 0.00 C ATOM 460 ND1 HIS A 26 5.991 12.409 -2.435 1.00 0.00 N ATOM 461 CD2 HIS A 26 6.568 14.490 -2.869 1.00 0.00 C ATOM 462 CE1 HIS A 26 4.922 13.078 -2.902 1.00 0.00 C ATOM 463 NE2 HIS A 26 5.221 14.349 -3.179 1.00 0.00 N ATOM 0 H HIS A 26 8.918 15.041 -0.468 1.00 0.00 H new ATOM 0 HA HIS A 26 7.728 12.327 0.010 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.186 13.528 -2.393 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.647 11.864 -2.289 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.140 15.400 -2.975 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.943 12.641 -3.036 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.593 15.066 -3.542 1.00 0.00 H new ATOM 472 N LYS A 27 9.948 11.234 0.528 1.00 0.00 N ATOM 473 CA LYS A 27 11.253 10.683 0.991 1.00 0.00 C ATOM 474 C LYS A 27 11.690 9.562 0.041 1.00 0.00 C ATOM 475 O LYS A 27 11.789 9.755 -1.154 1.00 0.00 O ATOM 476 CB LYS A 27 11.096 10.126 2.409 1.00 0.00 C ATOM 477 CG LYS A 27 12.477 9.914 3.038 1.00 0.00 C ATOM 478 CD LYS A 27 12.316 9.302 4.430 1.00 0.00 C ATOM 479 CE LYS A 27 13.677 9.243 5.125 1.00 0.00 C ATOM 480 NZ LYS A 27 13.673 10.153 6.304 1.00 0.00 N ATOM 0 H LYS A 27 9.151 10.606 0.633 1.00 0.00 H new ATOM 0 HA LYS A 27 12.006 11.471 0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.511 10.815 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.550 9.183 2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.078 9.258 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.007 10.864 3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.620 9.897 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.893 8.301 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.892 8.222 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.465 9.534 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.599 10.113 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.486 11.127 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.931 9.856 6.970 1.00 0.00 H new ATOM 494 N VAL A 28 11.951 8.392 0.559 1.00 0.00 N ATOM 495 CA VAL A 28 12.377 7.268 -0.320 1.00 0.00 C ATOM 496 C VAL A 28 11.255 6.939 -1.305 1.00 0.00 C ATOM 497 O VAL A 28 11.494 6.678 -2.468 1.00 0.00 O ATOM 498 CB VAL A 28 12.681 6.037 0.537 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.952 4.836 -0.370 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.914 6.311 1.401 1.00 0.00 C ATOM 0 H VAL A 28 11.887 8.167 1.552 1.00 0.00 H new ATOM 0 HA VAL A 28 13.272 7.556 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 28 11.826 5.821 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.168 3.960 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.075 4.640 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.806 5.050 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.132 5.435 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.768 6.527 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.722 7.166 2.049 1.00 0.00 H new ATOM 510 N GLY A 29 10.031 6.951 -0.847 1.00 0.00 N ATOM 511 CA GLY A 29 8.885 6.642 -1.751 1.00 0.00 C ATOM 512 C GLY A 29 7.837 7.750 -1.642 1.00 0.00 C ATOM 513 O GLY A 29 7.838 8.529 -0.711 1.00 0.00 O ATOM 0 H GLY A 29 9.775 7.162 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.233 6.556 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.444 5.682 -1.482 1.00 0.00 H new ATOM 517 N PRO A 30 6.948 7.815 -2.596 1.00 0.00 N ATOM 518 CA PRO A 30 5.866 8.841 -2.626 1.00 0.00 C ATOM 519 C PRO A 30 4.936 8.742 -1.414 1.00 0.00 C ATOM 520 O PRO A 30 4.664 7.668 -0.918 1.00 0.00 O ATOM 521 CB PRO A 30 5.092 8.537 -3.916 1.00 0.00 C ATOM 522 CG PRO A 30 5.484 7.152 -4.314 1.00 0.00 C ATOM 523 CD PRO A 30 6.880 6.910 -3.749 1.00 0.00 C ATOM 0 HA PRO A 30 6.276 9.850 -2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.017 8.606 -3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.341 9.253 -4.699 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.776 6.422 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.482 7.046 -5.399 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.017 5.870 -3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.654 7.136 -4.482 1.00 0.00 H new ATOM 531 N ASN A 31 4.440 9.850 -0.935 1.00 0.00 N ATOM 532 CA ASN A 31 3.525 9.808 0.239 1.00 0.00 C ATOM 533 C ASN A 31 2.213 9.140 -0.175 1.00 0.00 C ATOM 534 O ASN A 31 1.767 9.273 -1.298 1.00 0.00 O ATOM 535 CB ASN A 31 3.243 11.232 0.722 1.00 0.00 C ATOM 536 CG ASN A 31 4.541 11.867 1.229 1.00 0.00 C ATOM 537 OD1 ASN A 31 5.652 11.185 1.173 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 4.542 12.995 1.680 1.00 0.00 N flip ATOM 0 H ASN A 31 4.629 10.781 -1.306 1.00 0.00 H new ATOM 0 HA ASN A 31 3.989 9.241 1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.828 11.827 -0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.498 11.216 1.518 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.673 13.528 1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.412 13.409 2.015 1.00 0.00 H new ATOM 545 N LEU A 32 1.594 8.414 0.716 1.00 0.00 N ATOM 546 CA LEU A 32 0.318 7.735 0.361 1.00 0.00 C ATOM 547 C LEU A 32 -0.855 8.533 0.941 1.00 0.00 C ATOM 548 O LEU A 32 -0.963 8.709 2.138 1.00 0.00 O ATOM 549 CB LEU A 32 0.328 6.327 0.961 1.00 0.00 C ATOM 550 CG LEU A 32 -0.704 5.453 0.244 1.00 0.00 C ATOM 551 CD1 LEU A 32 -0.216 5.128 -1.175 1.00 0.00 C ATOM 552 CD2 LEU A 32 -0.890 4.150 1.024 1.00 0.00 C ATOM 0 H LEU A 32 1.917 8.263 1.672 1.00 0.00 H new ATOM 0 HA LEU A 32 0.212 7.674 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.321 5.887 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.102 6.374 2.026 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.651 5.989 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.955 4.506 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.079 6.054 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.732 4.593 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.624 3.524 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.061 3.621 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.239 4.376 2.031 1.00 0.00 H new ATOM 564 N HIS A 33 -1.735 9.018 0.107 1.00 0.00 N ATOM 565 CA HIS A 33 -2.893 9.802 0.627 1.00 0.00 C ATOM 566 C HIS A 33 -4.064 9.712 -0.353 1.00 0.00 C ATOM 567 O HIS A 33 -3.898 9.864 -1.547 1.00 0.00 O ATOM 568 CB HIS A 33 -2.480 11.266 0.794 1.00 0.00 C ATOM 569 CG HIS A 33 -3.616 12.041 1.401 1.00 0.00 C ATOM 570 ND1 HIS A 33 -4.057 11.817 2.699 1.00 0.00 N ATOM 571 CD2 HIS A 33 -4.414 13.043 0.903 1.00 0.00 C ATOM 572 CE1 HIS A 33 -5.075 12.664 2.934 1.00 0.00 C ATOM 573 NE2 HIS A 33 -5.330 13.432 1.873 1.00 0.00 N ATOM 0 H HIS A 33 -1.703 8.906 -0.906 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.200 9.394 1.590 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.597 11.336 1.430 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.211 11.692 -0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.341 13.463 -0.089 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.619 12.716 3.866 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.047 14.153 1.791 1.00 0.00 H new ATOM 582 N GLY A 34 -5.248 9.473 0.142 1.00 0.00 N ATOM 583 CA GLY A 34 -6.429 9.379 -0.762 1.00 0.00 C ATOM 584 C GLY A 34 -6.068 8.536 -1.984 1.00 0.00 C ATOM 585 O GLY A 34 -6.758 8.546 -2.983 1.00 0.00 O ATOM 0 H GLY A 34 -5.448 9.339 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.270 8.931 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.742 10.375 -1.074 1.00 0.00 H new ATOM 589 N ILE A 35 -4.989 7.807 -1.910 1.00 0.00 N ATOM 590 CA ILE A 35 -4.575 6.962 -3.064 1.00 0.00 C ATOM 591 C ILE A 35 -5.695 5.980 -3.409 1.00 0.00 C ATOM 592 O ILE A 35 -5.777 5.483 -4.514 1.00 0.00 O ATOM 593 CB ILE A 35 -3.313 6.185 -2.694 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.671 5.609 -3.960 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.682 5.044 -1.748 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.760 6.658 -4.602 1.00 0.00 C ATOM 0 H ILE A 35 -4.375 7.760 -1.097 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.374 7.598 -3.926 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.606 6.855 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.096 4.716 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.445 5.305 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.784 4.487 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.137 5.452 -0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.389 4.377 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.306 6.244 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.347 7.538 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.977 6.940 -3.898 1.00 0.00 H new ATOM 608 N PHE A 36 -6.559 5.694 -2.474 1.00 0.00 N ATOM 609 CA PHE A 36 -7.668 4.745 -2.753 1.00 0.00 C ATOM 610 C PHE A 36 -8.576 5.333 -3.835 1.00 0.00 C ATOM 611 O PHE A 36 -8.904 6.502 -3.816 1.00 0.00 O ATOM 612 CB PHE A 36 -8.475 4.529 -1.474 1.00 0.00 C ATOM 613 CG PHE A 36 -7.634 3.790 -0.459 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.775 4.500 0.390 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.715 2.397 -0.365 1.00 0.00 C ATOM 616 CE1 PHE A 36 -5.997 3.815 1.332 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.938 1.713 0.577 1.00 0.00 C ATOM 618 CZ PHE A 36 -6.079 2.420 1.424 1.00 0.00 C ATOM 0 H PHE A 36 -6.543 6.078 -1.529 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.263 3.793 -3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.793 5.489 -1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.379 3.961 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.713 5.576 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.377 1.849 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.335 4.362 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.002 0.637 0.650 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.479 1.890 2.149 1.00 0.00 H new ATOM 628 N GLY A 37 -8.985 4.531 -4.779 1.00 0.00 N ATOM 629 CA GLY A 37 -9.871 5.043 -5.860 1.00 0.00 C ATOM 630 C GLY A 37 -9.084 6.003 -6.755 1.00 0.00 C ATOM 631 O GLY A 37 -9.627 6.953 -7.284 1.00 0.00 O ATOM 0 H GLY A 37 -8.743 3.542 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.258 4.213 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.731 5.555 -5.428 1.00 0.00 H new ATOM 635 N ARG A 38 -7.806 5.771 -6.922 1.00 0.00 N ATOM 636 CA ARG A 38 -6.987 6.680 -7.778 1.00 0.00 C ATOM 637 C ARG A 38 -6.229 5.870 -8.833 1.00 0.00 C ATOM 638 O ARG A 38 -5.908 4.716 -8.634 1.00 0.00 O ATOM 639 CB ARG A 38 -5.981 7.440 -6.907 1.00 0.00 C ATOM 640 CG ARG A 38 -6.714 8.210 -5.802 1.00 0.00 C ATOM 641 CD ARG A 38 -7.576 9.319 -6.412 1.00 0.00 C ATOM 642 NE ARG A 38 -7.972 10.279 -5.344 1.00 0.00 N ATOM 643 CZ ARG A 38 -8.841 9.923 -4.436 1.00 0.00 C ATOM 644 NH1 ARG A 38 -9.362 8.729 -4.467 1.00 0.00 N ATOM 645 NH2 ARG A 38 -9.186 10.764 -3.500 1.00 0.00 N ATOM 0 H ARG A 38 -7.296 4.993 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.651 7.387 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.271 6.741 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.406 8.132 -7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.340 7.528 -5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.992 8.641 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.022 9.837 -7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.463 8.891 -6.879 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.565 11.214 -5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.091 8.073 -5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.041 8.450 -3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.777 11.698 -3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.864 10.487 -2.790 1.00 0.00 H new ATOM 659 N HIS A 39 -5.940 6.476 -9.955 1.00 0.00 N ATOM 660 CA HIS A 39 -5.205 5.756 -11.033 1.00 0.00 C ATOM 661 C HIS A 39 -3.784 6.312 -11.157 1.00 0.00 C ATOM 662 O HIS A 39 -3.558 7.501 -11.040 1.00 0.00 O ATOM 663 CB HIS A 39 -5.932 5.947 -12.365 1.00 0.00 C ATOM 664 CG HIS A 39 -7.244 5.211 -12.341 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.417 5.800 -11.893 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.582 3.934 -12.713 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.399 4.887 -12.007 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.942 3.735 -12.502 1.00 0.00 N ATOM 0 H HIS A 39 -6.183 7.443 -10.170 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.161 4.696 -10.784 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.103 7.008 -12.547 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.313 5.579 -13.183 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.898 3.198 -13.108 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.428 5.064 -11.732 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.478 2.887 -12.687 1.00 0.00 H new ATOM 677 N SER A 40 -2.831 5.458 -11.408 1.00 0.00 N ATOM 678 CA SER A 40 -1.419 5.917 -11.558 1.00 0.00 C ATOM 679 C SER A 40 -1.021 6.823 -10.392 1.00 0.00 C ATOM 680 O SER A 40 -1.827 7.172 -9.552 1.00 0.00 O ATOM 681 CB SER A 40 -1.274 6.686 -12.873 1.00 0.00 C ATOM 682 OG SER A 40 -2.365 7.587 -13.014 1.00 0.00 O ATOM 0 H SER A 40 -2.970 4.453 -11.517 1.00 0.00 H new ATOM 0 HA SER A 40 -0.765 5.045 -11.562 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.332 7.233 -12.885 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.250 5.992 -13.713 1.00 0.00 H new ATOM 0 HG SER A 40 -2.543 8.023 -12.154 1.00 0.00 H new ATOM 688 N GLY A 41 0.228 7.200 -10.338 1.00 0.00 N ATOM 689 CA GLY A 41 0.712 8.078 -9.235 1.00 0.00 C ATOM 690 C GLY A 41 0.013 9.439 -9.300 1.00 0.00 C ATOM 691 O GLY A 41 0.607 10.435 -9.661 1.00 0.00 O ATOM 0 H GLY A 41 0.940 6.934 -11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.517 7.606 -8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.791 8.211 -9.312 1.00 0.00 H new ATOM 695 N GLN A 42 -1.244 9.490 -8.954 1.00 0.00 N ATOM 696 CA GLN A 42 -1.978 10.788 -8.995 1.00 0.00 C ATOM 697 C GLN A 42 -1.308 11.799 -8.058 1.00 0.00 C ATOM 698 O GLN A 42 -1.275 12.982 -8.331 1.00 0.00 O ATOM 699 CB GLN A 42 -3.426 10.573 -8.549 1.00 0.00 C ATOM 700 CG GLN A 42 -4.225 11.856 -8.790 1.00 0.00 C ATOM 701 CD GLN A 42 -5.611 11.722 -8.157 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.743 11.734 -6.949 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.656 11.591 -8.928 1.00 0.00 N ATOM 0 H GLN A 42 -1.795 8.689 -8.645 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.959 11.173 -10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.870 9.745 -9.102 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.457 10.304 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.699 12.710 -8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.319 12.043 -9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.544 11.581 -9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.585 11.499 -8.517 1.00 0.00 H new ATOM 712 N ALA A 43 -0.786 11.345 -6.951 1.00 0.00 N ATOM 713 CA ALA A 43 -0.135 12.286 -5.994 1.00 0.00 C ATOM 714 C ALA A 43 0.991 13.046 -6.696 1.00 0.00 C ATOM 715 O ALA A 43 1.236 14.204 -6.418 1.00 0.00 O ATOM 716 CB ALA A 43 0.444 11.499 -4.816 1.00 0.00 C ATOM 0 H ALA A 43 -0.782 10.365 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.878 12.996 -5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.920 12.187 -4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.357 10.962 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.183 10.786 -5.183 1.00 0.00 H new ATOM 722 N GLU A 44 1.674 12.409 -7.604 1.00 0.00 N ATOM 723 CA GLU A 44 2.784 13.097 -8.321 1.00 0.00 C ATOM 724 C GLU A 44 3.666 13.836 -7.310 1.00 0.00 C ATOM 725 O GLU A 44 3.466 13.751 -6.115 1.00 0.00 O ATOM 726 CB GLU A 44 2.202 14.101 -9.317 1.00 0.00 C ATOM 727 CG GLU A 44 1.365 13.357 -10.360 1.00 0.00 C ATOM 728 CD GLU A 44 0.842 14.352 -11.399 1.00 0.00 C ATOM 729 OE1 GLU A 44 0.998 15.543 -11.182 1.00 0.00 O ATOM 730 OE2 GLU A 44 0.294 13.906 -12.394 1.00 0.00 O ATOM 0 H GLU A 44 1.512 11.441 -7.881 1.00 0.00 H new ATOM 0 HA GLU A 44 3.383 12.359 -8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.585 14.832 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.005 14.652 -9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.968 12.590 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.531 12.848 -9.877 1.00 0.00 H new ATOM 737 N GLY A 45 4.646 14.557 -7.781 1.00 0.00 N ATOM 738 CA GLY A 45 5.544 15.298 -6.849 1.00 0.00 C ATOM 739 C GLY A 45 6.775 14.442 -6.551 1.00 0.00 C ATOM 740 O GLY A 45 7.759 14.913 -6.014 1.00 0.00 O ATOM 0 H GLY A 45 4.864 14.665 -8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.845 16.247 -7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.016 15.531 -5.924 1.00 0.00 H new ATOM 744 N TYR A 46 6.725 13.188 -6.902 1.00 0.00 N ATOM 745 CA TYR A 46 7.886 12.291 -6.651 1.00 0.00 C ATOM 746 C TYR A 46 8.121 11.424 -7.889 1.00 0.00 C ATOM 747 O TYR A 46 7.195 11.057 -8.581 1.00 0.00 O ATOM 748 CB TYR A 46 7.590 11.399 -5.443 1.00 0.00 C ATOM 749 CG TYR A 46 8.793 10.536 -5.147 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.893 11.077 -4.469 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.806 9.195 -5.544 1.00 0.00 C ATOM 752 CE1 TYR A 46 11.007 10.275 -4.193 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.921 8.392 -5.267 1.00 0.00 C ATOM 754 CZ TYR A 46 11.021 8.934 -4.591 1.00 0.00 C ATOM 755 OH TYR A 46 12.120 8.145 -4.317 1.00 0.00 O ATOM 0 H TYR A 46 5.926 12.744 -7.354 1.00 0.00 H new ATOM 0 HA TYR A 46 8.776 12.885 -6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.347 12.013 -4.575 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.721 10.773 -5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.882 12.112 -4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.956 8.778 -6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.856 10.692 -3.672 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.932 7.357 -5.575 1.00 0.00 H new ATOM 0 HH TYR A 46 12.100 7.871 -3.376 1.00 0.00 H new ATOM 765 N SER A 47 9.350 11.098 -8.178 1.00 0.00 N ATOM 766 CA SER A 47 9.631 10.261 -9.378 1.00 0.00 C ATOM 767 C SER A 47 8.959 8.894 -9.224 1.00 0.00 C ATOM 768 O SER A 47 8.837 8.369 -8.135 1.00 0.00 O ATOM 769 CB SER A 47 11.141 10.071 -9.523 1.00 0.00 C ATOM 770 OG SER A 47 11.767 11.345 -9.612 1.00 0.00 O ATOM 0 H SER A 47 10.170 11.374 -7.637 1.00 0.00 H new ATOM 0 HA SER A 47 9.237 10.759 -10.264 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.534 9.519 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.361 9.481 -10.413 1.00 0.00 H new ATOM 0 HG SER A 47 12.736 11.228 -9.703 1.00 0.00 H new ATOM 776 N TYR A 48 8.532 8.312 -10.313 1.00 0.00 N ATOM 777 CA TYR A 48 7.874 6.974 -10.249 1.00 0.00 C ATOM 778 C TYR A 48 8.679 5.974 -11.078 1.00 0.00 C ATOM 779 O TYR A 48 9.197 6.297 -12.129 1.00 0.00 O ATOM 780 CB TYR A 48 6.452 7.067 -10.813 1.00 0.00 C ATOM 781 CG TYR A 48 5.512 7.587 -9.752 1.00 0.00 C ATOM 782 CD1 TYR A 48 5.464 8.955 -9.465 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.685 6.695 -9.055 1.00 0.00 C ATOM 784 CE1 TYR A 48 4.588 9.435 -8.482 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.814 7.174 -8.074 1.00 0.00 C ATOM 786 CZ TYR A 48 3.764 8.541 -7.786 1.00 0.00 C ATOM 787 OH TYR A 48 2.897 9.004 -6.816 1.00 0.00 O ATOM 0 H TYR A 48 8.611 8.708 -11.250 1.00 0.00 H new ATOM 0 HA TYR A 48 7.831 6.644 -9.211 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.438 7.728 -11.680 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.122 6.086 -11.155 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.102 9.642 -10.001 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.721 5.639 -9.276 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.548 10.492 -8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.178 6.487 -7.537 1.00 0.00 H new ATOM 0 HH TYR A 48 2.400 8.250 -6.435 1.00 0.00 H new ATOM 797 N THR A 49 8.784 4.757 -10.619 1.00 0.00 N ATOM 798 CA THR A 49 9.548 3.737 -11.386 1.00 0.00 C ATOM 799 C THR A 49 8.741 3.331 -12.618 1.00 0.00 C ATOM 800 O THR A 49 7.530 3.253 -12.580 1.00 0.00 O ATOM 801 CB THR A 49 9.790 2.509 -10.503 1.00 0.00 C ATOM 802 OG1 THR A 49 10.444 2.909 -9.307 1.00 0.00 O ATOM 803 CG2 THR A 49 10.665 1.503 -11.255 1.00 0.00 C ATOM 0 H THR A 49 8.373 4.426 -9.746 1.00 0.00 H new ATOM 0 HA THR A 49 10.507 4.151 -11.696 1.00 0.00 H new ATOM 0 HB THR A 49 8.836 2.044 -10.256 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.612 2.122 -8.747 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.837 0.629 -10.626 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.161 1.197 -12.172 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.620 1.966 -11.503 1.00 0.00 H new ATOM 811 N ASP A 50 9.400 3.075 -13.714 1.00 0.00 N ATOM 812 CA ASP A 50 8.665 2.680 -14.947 1.00 0.00 C ATOM 813 C ASP A 50 7.675 1.563 -14.610 1.00 0.00 C ATOM 814 O ASP A 50 6.608 1.472 -15.182 1.00 0.00 O ATOM 815 CB ASP A 50 9.660 2.181 -15.994 1.00 0.00 C ATOM 816 CG ASP A 50 10.513 3.350 -16.485 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.174 4.479 -16.173 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.494 3.099 -17.167 1.00 0.00 O ATOM 0 H ASP A 50 10.414 3.122 -13.809 1.00 0.00 H new ATOM 0 HA ASP A 50 8.124 3.540 -15.342 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.297 1.407 -15.566 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.127 1.729 -16.831 1.00 0.00 H new ATOM 823 N ALA A 51 8.025 0.711 -13.687 1.00 0.00 N ATOM 824 CA ALA A 51 7.111 -0.406 -13.313 1.00 0.00 C ATOM 825 C ALA A 51 5.691 0.125 -13.084 1.00 0.00 C ATOM 826 O ALA A 51 4.796 -0.121 -13.869 1.00 0.00 O ATOM 827 CB ALA A 51 7.618 -1.060 -12.026 1.00 0.00 C ATOM 0 H ALA A 51 8.906 0.740 -13.174 1.00 0.00 H new ATOM 0 HA ALA A 51 7.091 -1.136 -14.122 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.954 -1.878 -11.747 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.624 -1.448 -12.187 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.638 -0.320 -11.226 1.00 0.00 H new ATOM 833 N ASN A 52 5.471 0.834 -12.009 1.00 0.00 N ATOM 834 CA ASN A 52 4.102 1.359 -11.729 1.00 0.00 C ATOM 835 C ASN A 52 3.608 2.232 -12.885 1.00 0.00 C ATOM 836 O ASN A 52 2.452 2.184 -13.251 1.00 0.00 O ATOM 837 CB ASN A 52 4.116 2.195 -10.448 1.00 0.00 C ATOM 838 CG ASN A 52 2.695 2.689 -10.158 1.00 0.00 C ATOM 839 OD1 ASN A 52 2.396 3.853 -10.334 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.798 1.846 -9.720 1.00 0.00 N ATOM 0 H ASN A 52 6.178 1.072 -11.314 1.00 0.00 H new ATOM 0 HA ASN A 52 3.431 0.508 -11.612 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.485 1.599 -9.613 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.794 3.042 -10.559 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.849 2.166 -9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.047 0.868 -9.571 1.00 0.00 H new ATOM 847 N ILE A 53 4.456 3.044 -13.452 1.00 0.00 N ATOM 848 CA ILE A 53 4.003 3.919 -14.562 1.00 0.00 C ATOM 849 C ILE A 53 3.504 3.065 -15.729 1.00 0.00 C ATOM 850 O ILE A 53 2.436 3.288 -16.260 1.00 0.00 O ATOM 851 CB ILE A 53 5.171 4.782 -15.025 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.729 5.565 -13.837 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.678 5.759 -16.086 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.993 6.314 -14.265 1.00 0.00 C ATOM 0 H ILE A 53 5.438 3.138 -13.194 1.00 0.00 H new ATOM 0 HA ILE A 53 3.189 4.554 -14.214 1.00 0.00 H new ATOM 0 HB ILE A 53 5.954 4.148 -15.441 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.983 6.270 -13.470 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.957 4.886 -13.015 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.508 6.380 -16.422 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.274 5.204 -16.932 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.899 6.393 -15.663 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.390 6.872 -13.417 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.740 5.599 -14.611 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.751 7.005 -15.073 1.00 0.00 H new ATOM 866 N LYS A 54 4.267 2.089 -16.139 1.00 0.00 N ATOM 867 CA LYS A 54 3.826 1.233 -17.275 1.00 0.00 C ATOM 868 C LYS A 54 2.561 0.466 -16.881 1.00 0.00 C ATOM 869 O LYS A 54 1.564 0.497 -17.574 1.00 0.00 O ATOM 870 CB LYS A 54 4.935 0.241 -17.627 1.00 0.00 C ATOM 871 CG LYS A 54 4.548 -0.531 -18.890 1.00 0.00 C ATOM 872 CD LYS A 54 5.629 -1.567 -19.207 1.00 0.00 C ATOM 873 CE LYS A 54 5.329 -2.221 -20.557 1.00 0.00 C ATOM 874 NZ LYS A 54 5.237 -1.169 -21.608 1.00 0.00 N ATOM 0 H LYS A 54 5.173 1.848 -15.738 1.00 0.00 H new ATOM 0 HA LYS A 54 3.613 1.862 -18.139 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.874 0.771 -17.785 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.095 -0.451 -16.800 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.587 -1.025 -18.747 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.431 0.156 -19.728 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.609 -1.090 -19.232 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.663 -2.324 -18.424 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.113 -2.935 -20.810 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.394 -2.779 -20.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.473 -1.581 -22.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.269 -0.789 -21.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.904 -0.402 -21.390 1.00 0.00 H new ATOM 888 N LYS A 55 2.595 -0.224 -15.774 1.00 0.00 N ATOM 889 CA LYS A 55 1.395 -0.991 -15.338 1.00 0.00 C ATOM 890 C LYS A 55 0.271 -0.027 -14.953 1.00 0.00 C ATOM 891 O LYS A 55 -0.861 -0.189 -15.359 1.00 0.00 O ATOM 892 CB LYS A 55 1.755 -1.860 -14.131 1.00 0.00 C ATOM 893 CG LYS A 55 0.566 -2.751 -13.769 1.00 0.00 C ATOM 894 CD LYS A 55 0.904 -3.572 -12.523 1.00 0.00 C ATOM 895 CE LYS A 55 -0.224 -4.571 -12.249 1.00 0.00 C ATOM 896 NZ LYS A 55 0.061 -5.849 -12.962 1.00 0.00 N ATOM 0 H LYS A 55 3.402 -0.290 -15.153 1.00 0.00 H new ATOM 0 HA LYS A 55 1.059 -1.625 -16.159 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.627 -2.474 -14.359 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.022 -1.230 -13.283 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.318 -2.140 -13.586 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.328 -3.414 -14.601 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.846 -4.101 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.037 -2.913 -11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.312 -4.752 -11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.177 -4.161 -12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.782 -6.458 -12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.308 -5.647 -13.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.855 -6.335 -12.499 1.00 0.00 H new ATOM 910 N ASN A 56 0.582 0.970 -14.165 1.00 0.00 N ATOM 911 CA ASN A 56 -0.455 1.955 -13.728 1.00 0.00 C ATOM 912 C ASN A 56 -1.775 1.234 -13.457 1.00 0.00 C ATOM 913 O ASN A 56 -2.541 0.955 -14.358 1.00 0.00 O ATOM 914 CB ASN A 56 -0.654 3.026 -14.806 1.00 0.00 C ATOM 915 CG ASN A 56 0.339 4.175 -14.588 1.00 0.00 C ATOM 916 OD1 ASN A 56 0.655 4.535 -13.372 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 0.828 4.756 -15.537 1.00 0.00 N flip ATOM 0 H ASN A 56 1.519 1.146 -13.802 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.119 2.439 -12.811 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.509 2.591 -15.795 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.676 3.405 -14.771 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.583 4.477 -16.487 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.483 5.522 -15.383 1.00 0.00 H new ATOM 924 N VAL A 57 -2.038 0.928 -12.217 1.00 0.00 N ATOM 925 CA VAL A 57 -3.297 0.213 -11.868 1.00 0.00 C ATOM 926 C VAL A 57 -4.097 1.022 -10.844 1.00 0.00 C ATOM 927 O VAL A 57 -3.546 1.745 -10.037 1.00 0.00 O ATOM 928 CB VAL A 57 -2.949 -1.153 -11.280 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.069 -0.965 -10.046 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.235 -1.879 -10.878 1.00 0.00 C ATOM 0 H VAL A 57 -1.431 1.144 -11.426 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.901 0.088 -12.767 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.415 -1.743 -12.025 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.820 -1.939 -9.625 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.153 -0.446 -10.328 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.606 -0.375 -9.303 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.987 -2.854 -10.458 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.768 -1.289 -10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.867 -2.012 -11.756 1.00 0.00 H new ATOM 940 N LEU A 58 -5.396 0.902 -10.878 1.00 0.00 N ATOM 941 CA LEU A 58 -6.250 1.656 -9.918 1.00 0.00 C ATOM 942 C LEU A 58 -5.993 1.146 -8.502 1.00 0.00 C ATOM 943 O LEU A 58 -5.946 -0.044 -8.256 1.00 0.00 O ATOM 944 CB LEU A 58 -7.727 1.441 -10.290 1.00 0.00 C ATOM 945 CG LEU A 58 -8.652 2.109 -9.261 1.00 0.00 C ATOM 946 CD1 LEU A 58 -8.525 3.631 -9.346 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.100 1.711 -9.560 1.00 0.00 C ATOM 0 H LEU A 58 -5.905 0.310 -11.534 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.013 2.719 -9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.921 1.852 -11.281 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.942 0.374 -10.340 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.369 1.783 -8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.185 4.093 -8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.495 3.922 -9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.804 3.964 -10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.764 2.181 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.368 2.041 -10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.200 0.628 -9.495 1.00 0.00 H new ATOM 959 N TRP A 59 -5.827 2.038 -7.567 1.00 0.00 N ATOM 960 CA TRP A 59 -5.578 1.606 -6.167 1.00 0.00 C ATOM 961 C TRP A 59 -6.887 1.651 -5.383 1.00 0.00 C ATOM 962 O TRP A 59 -7.606 2.629 -5.408 1.00 0.00 O ATOM 963 CB TRP A 59 -4.556 2.540 -5.514 1.00 0.00 C ATOM 964 CG TRP A 59 -3.219 2.321 -6.142 1.00 0.00 C ATOM 965 CD1 TRP A 59 -2.582 3.203 -6.944 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.347 1.162 -6.034 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.374 2.655 -7.339 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.184 1.398 -6.802 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.453 -0.059 -5.349 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.161 0.452 -6.889 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.427 -1.012 -5.433 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.284 -0.758 -6.202 1.00 0.00 C ATOM 0 H TRP A 59 -5.853 3.047 -7.713 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.187 0.589 -6.165 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.863 3.578 -5.638 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.503 2.349 -4.442 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.954 4.176 -7.230 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -0.706 3.123 -7.952 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.330 -0.266 -4.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.718 0.654 -7.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.519 -1.948 -4.901 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.501 -1.497 -6.264 1.00 0.00 H new ATOM 983 N ASP A 60 -7.191 0.590 -4.685 1.00 0.00 N ATOM 984 CA ASP A 60 -8.446 0.539 -3.884 1.00 0.00 C ATOM 985 C ASP A 60 -8.263 -0.483 -2.760 1.00 0.00 C ATOM 986 O ASP A 60 -7.350 -1.281 -2.786 1.00 0.00 O ATOM 987 CB ASP A 60 -9.611 0.113 -4.781 1.00 0.00 C ATOM 988 CG ASP A 60 -10.930 0.310 -4.033 1.00 0.00 C ATOM 989 OD1 ASP A 60 -10.894 0.847 -2.939 1.00 0.00 O ATOM 990 OD2 ASP A 60 -11.956 -0.079 -4.568 1.00 0.00 O ATOM 0 H ASP A 60 -6.617 -0.252 -4.636 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.663 1.522 -3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.610 0.700 -5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.498 -0.932 -5.071 1.00 0.00 H new ATOM 995 N GLU A 61 -9.113 -0.470 -1.772 1.00 0.00 N ATOM 996 CA GLU A 61 -8.952 -1.448 -0.659 1.00 0.00 C ATOM 997 C GLU A 61 -8.885 -2.863 -1.236 1.00 0.00 C ATOM 998 O GLU A 61 -8.103 -3.685 -0.800 1.00 0.00 O ATOM 999 CB GLU A 61 -10.146 -1.341 0.289 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.166 0.049 0.928 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.320 0.138 1.926 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.121 -0.784 1.960 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -11.386 1.123 2.640 1.00 0.00 O ATOM 0 H GLU A 61 -9.904 0.168 -1.686 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.034 -1.232 -0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.074 -1.516 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.081 -2.107 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.219 0.242 1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.278 0.813 0.158 1.00 0.00 H new ATOM 1010 N ASN A 62 -9.688 -3.150 -2.223 1.00 0.00 N ATOM 1011 CA ASN A 62 -9.655 -4.509 -2.834 1.00 0.00 C ATOM 1012 C ASN A 62 -8.330 -4.716 -3.569 1.00 0.00 C ATOM 1013 O ASN A 62 -7.674 -5.729 -3.423 1.00 0.00 O ATOM 1014 CB ASN A 62 -10.807 -4.640 -3.830 1.00 0.00 C ATOM 1015 CG ASN A 62 -10.782 -6.034 -4.456 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.300 -6.977 -3.893 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.185 -6.206 -5.604 1.00 0.00 N ATOM 0 H ASN A 62 -10.364 -2.505 -2.632 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.753 -5.259 -2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.759 -4.473 -3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.720 -3.879 -4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.153 -7.133 -6.029 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.750 -5.414 -6.076 1.00 0.00 H new ATOM 1024 N ASN A 63 -7.939 -3.765 -4.374 1.00 0.00 N ATOM 1025 CA ASN A 63 -6.667 -3.901 -5.138 1.00 0.00 C ATOM 1026 C ASN A 63 -5.469 -3.964 -4.188 1.00 0.00 C ATOM 1027 O ASN A 63 -4.543 -4.721 -4.399 1.00 0.00 O ATOM 1028 CB ASN A 63 -6.516 -2.702 -6.075 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.384 -2.971 -7.070 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.087 -4.110 -7.375 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -4.735 -1.966 -7.587 1.00 0.00 N ATOM 0 H ASN A 63 -8.449 -2.896 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.698 -4.825 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.449 -2.525 -6.609 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.302 -1.802 -5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.977 -2.134 -8.248 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.985 -1.011 -7.330 1.00 0.00 H new ATOM 1038 N MET A 64 -5.470 -3.175 -3.151 1.00 0.00 N ATOM 1039 CA MET A 64 -4.315 -3.199 -2.207 1.00 0.00 C ATOM 1040 C MET A 64 -4.166 -4.597 -1.612 1.00 0.00 C ATOM 1041 O MET A 64 -3.068 -5.081 -1.414 1.00 0.00 O ATOM 1042 CB MET A 64 -4.538 -2.181 -1.086 1.00 0.00 C ATOM 1043 CG MET A 64 -4.423 -0.769 -1.659 1.00 0.00 C ATOM 1044 SD MET A 64 -4.507 0.443 -0.319 1.00 0.00 S ATOM 1045 CE MET A 64 -4.483 1.921 -1.363 1.00 0.00 C ATOM 0 H MET A 64 -6.214 -2.518 -2.916 1.00 0.00 H new ATOM 0 HA MET A 64 -3.405 -2.940 -2.748 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.521 -2.325 -0.638 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.802 -2.326 -0.295 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.483 -0.662 -2.201 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.226 -0.590 -2.375 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.456 2.811 -0.734 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.600 1.901 -2.001 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.379 1.943 -1.984 1.00 0.00 H new ATOM 1055 N SER A 65 -5.254 -5.257 -1.327 1.00 0.00 N ATOM 1056 CA SER A 65 -5.150 -6.626 -0.753 1.00 0.00 C ATOM 1057 C SER A 65 -4.409 -7.526 -1.744 1.00 0.00 C ATOM 1058 O SER A 65 -3.566 -8.318 -1.372 1.00 0.00 O ATOM 1059 CB SER A 65 -6.550 -7.183 -0.497 1.00 0.00 C ATOM 1060 OG SER A 65 -7.260 -6.296 0.359 1.00 0.00 O ATOM 0 H SER A 65 -6.203 -4.911 -1.466 1.00 0.00 H new ATOM 0 HA SER A 65 -4.604 -6.590 0.190 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.084 -7.302 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.483 -8.171 -0.041 1.00 0.00 H new ATOM 0 HG SER A 65 -7.536 -5.504 -0.147 1.00 0.00 H new ATOM 1066 N GLU A 66 -4.707 -7.400 -3.009 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.011 -8.234 -4.023 1.00 0.00 C ATOM 1068 C GLU A 66 -2.538 -7.826 -4.080 1.00 0.00 C ATOM 1069 O GLU A 66 -1.662 -8.639 -4.300 1.00 0.00 O ATOM 1070 CB GLU A 66 -4.659 -8.013 -5.388 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.100 -8.527 -5.359 1.00 0.00 C ATOM 1072 CD GLU A 66 -6.728 -8.366 -6.745 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.109 -7.733 -7.585 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -7.817 -8.878 -6.943 1.00 0.00 O ATOM 0 H GLU A 66 -5.403 -6.754 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.087 -9.287 -3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.645 -6.953 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.092 -8.533 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.117 -9.575 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.679 -7.975 -4.619 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.263 -6.565 -3.884 1.00 0.00 N ATOM 1082 CA HIS A 67 -0.856 -6.085 -3.925 1.00 0.00 C ATOM 1083 C HIS A 67 -0.046 -6.819 -2.855 1.00 0.00 C ATOM 1084 O HIS A 67 1.036 -7.311 -3.106 1.00 0.00 O ATOM 1085 CB HIS A 67 -0.847 -4.581 -3.641 1.00 0.00 C ATOM 1086 CG HIS A 67 0.486 -3.989 -4.009 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.951 -3.971 -5.315 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.454 -3.371 -3.258 1.00 0.00 C ATOM 1089 CE1 HIS A 67 2.151 -3.360 -5.311 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.501 -2.977 -4.083 1.00 0.00 N ATOM 0 H HIS A 67 -2.959 -5.843 -3.696 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.416 -6.278 -4.903 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.639 -4.092 -4.208 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.053 -4.402 -2.586 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.471 -4.351 -6.131 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.409 -3.215 -2.190 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.754 -3.200 -6.192 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.569 -6.892 -1.664 1.00 0.00 N ATOM 1100 CA LEU A 68 0.148 -7.589 -0.562 1.00 0.00 C ATOM 1101 C LEU A 68 0.129 -9.102 -0.798 1.00 0.00 C ATOM 1102 O LEU A 68 1.052 -9.804 -0.445 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.558 -7.282 0.757 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.649 -5.768 0.956 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -1.432 -5.470 2.234 1.00 0.00 C ATOM 1106 CD2 LEU A 68 0.759 -5.183 1.073 1.00 0.00 C ATOM 0 H LEU A 68 -1.472 -6.494 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 68 1.182 -7.245 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.557 -7.718 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.013 -7.735 1.586 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.159 -5.319 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.498 -4.391 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.436 -5.887 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.922 -5.919 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.694 -4.104 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.269 -5.631 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.318 -5.396 0.162 1.00 0.00 H new ATOM 1118 N THR A 69 -0.927 -9.613 -1.368 1.00 0.00 N ATOM 1119 CA THR A 69 -1.018 -11.084 -1.597 1.00 0.00 C ATOM 1120 C THR A 69 0.145 -11.573 -2.467 1.00 0.00 C ATOM 1121 O THR A 69 0.677 -12.644 -2.252 1.00 0.00 O ATOM 1122 CB THR A 69 -2.341 -11.411 -2.294 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.414 -10.845 -1.552 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.515 -12.928 -2.372 1.00 0.00 C ATOM 0 H THR A 69 -1.733 -9.075 -1.686 1.00 0.00 H new ATOM 0 HA THR A 69 -0.969 -11.588 -0.632 1.00 0.00 H new ATOM 0 HB THR A 69 -2.337 -10.997 -3.302 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.477 -9.887 -1.748 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.457 -13.161 -2.868 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.690 -13.360 -2.938 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.522 -13.346 -1.365 1.00 0.00 H new ATOM 1132 N ASN A 70 0.541 -10.813 -3.448 1.00 0.00 N ATOM 1133 CA ASN A 70 1.662 -11.259 -4.322 1.00 0.00 C ATOM 1134 C ASN A 70 2.239 -10.061 -5.076 1.00 0.00 C ATOM 1135 O ASN A 70 2.122 -9.958 -6.281 1.00 0.00 O ATOM 1136 CB ASN A 70 1.144 -12.290 -5.327 1.00 0.00 C ATOM 1137 CG ASN A 70 1.265 -13.693 -4.729 1.00 0.00 C ATOM 1138 OD1 ASN A 70 0.196 -14.294 -4.284 1.00 0.00 O flip ATOM 1139 ND2 ASN A 70 2.343 -14.248 -4.668 1.00 0.00 N flip ATOM 0 H ASN A 70 0.139 -9.905 -3.683 1.00 0.00 H new ATOM 0 HA ASN A 70 2.442 -11.706 -3.706 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.104 -12.079 -5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.714 -12.228 -6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.179 -13.778 -5.016 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.413 -15.184 -4.269 1.00 0.00 H new ATOM 1146 N PRO A 71 2.863 -9.166 -4.365 1.00 0.00 N ATOM 1147 CA PRO A 71 3.480 -7.950 -4.961 1.00 0.00 C ATOM 1148 C PRO A 71 4.363 -8.283 -6.169 1.00 0.00 C ATOM 1149 O PRO A 71 4.587 -7.456 -7.030 1.00 0.00 O ATOM 1150 CB PRO A 71 4.335 -7.372 -3.832 1.00 0.00 C ATOM 1151 CG PRO A 71 3.789 -7.936 -2.561 1.00 0.00 C ATOM 1152 CD PRO A 71 3.034 -9.222 -2.911 1.00 0.00 C ATOM 0 HA PRO A 71 2.722 -7.259 -5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.383 -7.644 -3.960 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.287 -6.283 -3.826 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.595 -8.145 -1.857 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.123 -7.220 -2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.597 -10.106 -2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.072 -9.269 -2.400 1.00 0.00 H new ATOM 1160 N ALA A 72 4.870 -9.485 -6.237 1.00 0.00 N ATOM 1161 CA ALA A 72 5.739 -9.858 -7.389 1.00 0.00 C ATOM 1162 C ALA A 72 4.924 -9.802 -8.683 1.00 0.00 C ATOM 1163 O ALA A 72 5.235 -9.060 -9.590 1.00 0.00 O ATOM 1164 CB ALA A 72 6.275 -11.276 -7.185 1.00 0.00 C ATOM 0 H ALA A 72 4.720 -10.222 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 72 6.573 -9.160 -7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.911 -11.549 -8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.856 -11.316 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.441 -11.974 -7.118 1.00 0.00 H new ATOM 1170 N LYS A 73 3.880 -10.575 -8.776 1.00 0.00 N ATOM 1171 CA LYS A 73 3.048 -10.550 -10.011 1.00 0.00 C ATOM 1172 C LYS A 73 2.410 -9.168 -10.167 1.00 0.00 C ATOM 1173 O LYS A 73 2.213 -8.683 -11.264 1.00 0.00 O ATOM 1174 CB LYS A 73 1.951 -11.614 -9.912 1.00 0.00 C ATOM 1175 CG LYS A 73 1.192 -11.691 -11.239 1.00 0.00 C ATOM 1176 CD LYS A 73 0.058 -12.711 -11.120 1.00 0.00 C ATOM 1177 CE LYS A 73 -0.597 -12.908 -12.488 1.00 0.00 C ATOM 1178 NZ LYS A 73 -1.095 -11.598 -12.994 1.00 0.00 N ATOM 0 H LYS A 73 3.567 -11.222 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 73 3.676 -10.760 -10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.390 -12.583 -9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.264 -11.369 -9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.789 -10.712 -11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.871 -11.978 -12.042 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.446 -13.660 -10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.681 -12.366 -10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.122 -13.331 -13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.421 -13.617 -12.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.766 -11.759 -13.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.574 -11.088 -12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.294 -11.032 -13.339 1.00 0.00 H new ATOM 1192 N TYR A 74 2.073 -8.539 -9.075 1.00 0.00 N ATOM 1193 CA TYR A 74 1.433 -7.194 -9.148 1.00 0.00 C ATOM 1194 C TYR A 74 2.320 -6.249 -9.965 1.00 0.00 C ATOM 1195 O TYR A 74 1.848 -5.525 -10.820 1.00 0.00 O ATOM 1196 CB TYR A 74 1.271 -6.649 -7.729 1.00 0.00 C ATOM 1197 CG TYR A 74 0.312 -5.483 -7.726 1.00 0.00 C ATOM 1198 CD1 TYR A 74 0.745 -4.215 -8.125 1.00 0.00 C ATOM 1199 CD2 TYR A 74 -1.009 -5.670 -7.301 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -0.140 -3.132 -8.100 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -1.896 -4.587 -7.279 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.460 -3.318 -7.677 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.329 -2.248 -7.647 1.00 0.00 O ATOM 0 H TYR A 74 2.214 -8.900 -8.131 1.00 0.00 H new ATOM 0 HA TYR A 74 0.457 -7.271 -9.628 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.902 -7.435 -7.070 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.239 -6.334 -7.339 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.764 -4.071 -8.453 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.343 -6.649 -6.990 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.196 -2.153 -8.407 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.916 -4.731 -6.955 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.915 -1.504 -7.162 1.00 0.00 H new ATOM 1213 N ILE A 75 3.606 -6.259 -9.721 1.00 0.00 N ATOM 1214 CA ILE A 75 4.522 -5.371 -10.497 1.00 0.00 C ATOM 1215 C ILE A 75 5.805 -6.143 -10.820 1.00 0.00 C ATOM 1216 O ILE A 75 6.169 -7.066 -10.123 1.00 0.00 O ATOM 1217 CB ILE A 75 4.870 -4.123 -9.673 1.00 0.00 C ATOM 1218 CG1 ILE A 75 4.881 -4.471 -8.183 1.00 0.00 C ATOM 1219 CG2 ILE A 75 3.837 -3.024 -9.931 1.00 0.00 C ATOM 1220 CD1 ILE A 75 5.843 -3.532 -7.453 1.00 0.00 C ATOM 0 H ILE A 75 4.060 -6.843 -9.019 1.00 0.00 H new ATOM 0 HA ILE A 75 4.031 -5.059 -11.419 1.00 0.00 H new ATOM 0 HB ILE A 75 5.857 -3.768 -9.969 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.877 -4.377 -7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.188 -5.507 -8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.090 -2.142 -9.343 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.836 -2.767 -10.990 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.848 -3.380 -9.644 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.854 -3.776 -6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.846 -3.649 -7.863 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.515 -2.501 -7.585 1.00 0.00 H new ATOM 1232 N PRO A 76 6.487 -5.769 -11.870 1.00 0.00 N ATOM 1233 CA PRO A 76 7.748 -6.445 -12.291 1.00 0.00 C ATOM 1234 C PRO A 76 8.773 -6.554 -11.155 1.00 0.00 C ATOM 1235 O PRO A 76 9.891 -6.980 -11.362 1.00 0.00 O ATOM 1236 CB PRO A 76 8.294 -5.573 -13.429 1.00 0.00 C ATOM 1237 CG PRO A 76 7.469 -4.324 -13.438 1.00 0.00 C ATOM 1238 CD PRO A 76 6.139 -4.667 -12.773 1.00 0.00 C ATOM 0 HA PRO A 76 7.555 -7.474 -12.595 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.347 -5.342 -13.270 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.223 -6.092 -14.385 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.975 -3.523 -12.899 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.312 -3.972 -14.458 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.730 -3.815 -12.229 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.389 -4.968 -13.505 1.00 0.00 H new ATOM 1246 N GLY A 77 8.403 -6.181 -9.961 1.00 0.00 N ATOM 1247 CA GLY A 77 9.363 -6.275 -8.826 1.00 0.00 C ATOM 1248 C GLY A 77 10.183 -4.989 -8.737 1.00 0.00 C ATOM 1249 O GLY A 77 11.395 -5.019 -8.668 1.00 0.00 O ATOM 0 H GLY A 77 7.481 -5.816 -9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.823 -6.439 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.024 -7.130 -8.966 1.00 0.00 H new ATOM 1253 N THR A 78 9.531 -3.859 -8.737 1.00 0.00 N ATOM 1254 CA THR A 78 10.271 -2.568 -8.648 1.00 0.00 C ATOM 1255 C THR A 78 11.160 -2.570 -7.401 1.00 0.00 C ATOM 1256 O THR A 78 11.493 -3.608 -6.864 1.00 0.00 O ATOM 1257 CB THR A 78 9.273 -1.409 -8.564 1.00 0.00 C ATOM 1258 OG1 THR A 78 9.972 -0.178 -8.694 1.00 0.00 O ATOM 1259 CG2 THR A 78 8.553 -1.447 -7.216 1.00 0.00 C ATOM 0 H THR A 78 8.516 -3.774 -8.795 1.00 0.00 H new ATOM 0 HA THR A 78 10.893 -2.447 -9.535 1.00 0.00 H new ATOM 0 HB THR A 78 8.540 -1.501 -9.366 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.336 0.566 -8.642 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.844 -0.621 -7.159 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.019 -2.392 -7.115 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.282 -1.355 -6.411 1.00 0.00 H new ATOM 1267 N LYS A 79 11.551 -1.415 -6.938 1.00 0.00 N ATOM 1268 CA LYS A 79 12.425 -1.350 -5.732 1.00 0.00 C ATOM 1269 C LYS A 79 11.724 -2.005 -4.538 1.00 0.00 C ATOM 1270 O LYS A 79 12.360 -2.449 -3.604 1.00 0.00 O ATOM 1271 CB LYS A 79 12.735 0.113 -5.400 1.00 0.00 C ATOM 1272 CG LYS A 79 13.490 0.752 -6.568 1.00 0.00 C ATOM 1273 CD LYS A 79 14.072 2.098 -6.127 1.00 0.00 C ATOM 1274 CE LYS A 79 12.937 3.060 -5.772 1.00 0.00 C ATOM 1275 NZ LYS A 79 13.423 4.464 -5.883 1.00 0.00 N ATOM 0 H LYS A 79 11.303 -0.512 -7.343 1.00 0.00 H new ATOM 0 HA LYS A 79 13.353 -1.883 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.810 0.658 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.333 0.172 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.289 0.091 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.818 0.894 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.725 1.958 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.683 2.520 -6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.090 2.903 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.584 2.865 -4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.652 5.118 -5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.218 4.609 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.739 4.646 -6.857 1.00 0.00 H new ATOM 1289 N MET A 80 10.418 -2.052 -4.547 1.00 0.00 N ATOM 1290 CA MET A 80 9.693 -2.660 -3.395 1.00 0.00 C ATOM 1291 C MET A 80 9.929 -4.170 -3.348 1.00 0.00 C ATOM 1292 O MET A 80 9.594 -4.895 -4.263 1.00 0.00 O ATOM 1293 CB MET A 80 8.193 -2.386 -3.526 1.00 0.00 C ATOM 1294 CG MET A 80 7.956 -0.880 -3.469 1.00 0.00 C ATOM 1295 SD MET A 80 6.214 -0.535 -3.120 1.00 0.00 S ATOM 1296 CE MET A 80 5.592 -0.760 -4.803 1.00 0.00 C ATOM 0 H MET A 80 9.826 -1.698 -5.298 1.00 0.00 H new ATOM 0 HA MET A 80 10.070 -2.214 -2.475 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.817 -2.791 -4.466 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.648 -2.883 -2.724 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.584 -0.434 -2.698 1.00 0.00 H new ATOM 0 HG3 MET A 80 8.242 -0.423 -4.416 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.515 -0.591 -4.819 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.080 -0.049 -5.469 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.805 -1.776 -5.137 1.00 0.00 H new ATOM 1306 N ALA A 81 10.489 -4.644 -2.267 1.00 0.00 N ATOM 1307 CA ALA A 81 10.739 -6.105 -2.120 1.00 0.00 C ATOM 1308 C ALA A 81 9.810 -6.645 -1.033 1.00 0.00 C ATOM 1309 O ALA A 81 10.097 -7.628 -0.379 1.00 0.00 O ATOM 1310 CB ALA A 81 12.194 -6.338 -1.713 1.00 0.00 C ATOM 0 H ALA A 81 10.786 -4.076 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 81 10.550 -6.616 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.375 -7.408 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.855 -5.933 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.390 -5.840 -0.764 1.00 0.00 H new ATOM 1316 N PHE A 82 8.701 -5.992 -0.832 1.00 0.00 N ATOM 1317 CA PHE A 82 7.737 -6.432 0.213 1.00 0.00 C ATOM 1318 C PHE A 82 7.340 -7.890 -0.032 1.00 0.00 C ATOM 1319 O PHE A 82 7.080 -8.294 -1.147 1.00 0.00 O ATOM 1320 CB PHE A 82 6.495 -5.538 0.140 1.00 0.00 C ATOM 1321 CG PHE A 82 5.566 -5.839 1.290 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.782 -5.249 2.539 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.479 -6.701 1.101 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.910 -5.518 3.601 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.610 -6.974 2.163 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.825 -6.381 3.413 1.00 0.00 C ATOM 0 H PHE A 82 8.418 -5.162 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 82 8.195 -6.353 1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.791 -4.489 0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.978 -5.699 -0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.622 -4.586 2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.311 -7.155 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.075 -5.059 4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.774 -7.642 2.019 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.153 -6.590 4.232 1.00 0.00 H new ATOM 1336 N GLY A 83 7.296 -8.683 1.005 1.00 0.00 N ATOM 1337 CA GLY A 83 6.920 -10.115 0.832 1.00 0.00 C ATOM 1338 C GLY A 83 5.398 -10.247 0.825 1.00 0.00 C ATOM 1339 O GLY A 83 4.682 -9.274 0.940 1.00 0.00 O ATOM 0 H GLY A 83 7.504 -8.401 1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.333 -10.500 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.343 -10.713 1.639 1.00 0.00 H new ATOM 1343 N GLY A 84 4.895 -11.445 0.688 1.00 0.00 N ATOM 1344 CA GLY A 84 3.417 -11.630 0.670 1.00 0.00 C ATOM 1345 C GLY A 84 2.936 -12.115 2.039 1.00 0.00 C ATOM 1346 O GLY A 84 3.621 -12.845 2.727 1.00 0.00 O ATOM 0 H GLY A 84 5.442 -12.300 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.927 -10.690 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.141 -12.352 -0.099 1.00 0.00 H new ATOM 1350 N LEU A 85 1.756 -11.718 2.437 1.00 0.00 N ATOM 1351 CA LEU A 85 1.227 -12.160 3.760 1.00 0.00 C ATOM 1352 C LEU A 85 0.301 -13.362 3.552 1.00 0.00 C ATOM 1353 O LEU A 85 -0.515 -13.378 2.653 1.00 0.00 O ATOM 1354 CB LEU A 85 0.440 -11.015 4.403 1.00 0.00 C ATOM 1355 CG LEU A 85 1.324 -9.771 4.492 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.573 -8.661 5.228 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.606 -10.110 5.257 1.00 0.00 C ATOM 0 H LEU A 85 1.137 -11.108 1.904 1.00 0.00 H new ATOM 0 HA LEU A 85 2.054 -12.441 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.452 -10.798 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.103 -11.306 5.398 1.00 0.00 H new ATOM 0 HG LEU A 85 1.577 -9.434 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.204 -7.775 5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.341 -8.418 4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.319 -8.998 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.237 -9.223 5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.352 -10.448 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.144 -10.901 4.734 1.00 0.00 H new ATOM 1369 N LYS A 86 0.423 -14.369 4.373 1.00 0.00 N ATOM 1370 CA LYS A 86 -0.449 -15.566 4.212 1.00 0.00 C ATOM 1371 C LYS A 86 -1.721 -15.407 5.050 1.00 0.00 C ATOM 1372 O LYS A 86 -2.625 -16.216 4.972 1.00 0.00 O ATOM 1373 CB LYS A 86 0.310 -16.811 4.673 1.00 0.00 C ATOM 1374 CG LYS A 86 1.555 -17.002 3.805 1.00 0.00 C ATOM 1375 CD LYS A 86 2.196 -18.356 4.122 1.00 0.00 C ATOM 1376 CE LYS A 86 2.687 -18.364 5.571 1.00 0.00 C ATOM 1377 NZ LYS A 86 1.637 -18.957 6.446 1.00 0.00 N ATOM 0 H LYS A 86 1.087 -14.414 5.146 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.725 -15.668 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.596 -16.708 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.333 -17.688 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.287 -16.953 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.267 -16.198 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.473 -19.157 3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.029 -18.543 3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.610 -18.939 5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.915 -17.349 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.381 -18.277 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.796 -19.181 5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.001 -19.828 6.883 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.805 -14.377 5.849 1.00 0.00 N ATOM 1392 CA LYS A 87 -3.025 -14.184 6.685 1.00 0.00 C ATOM 1393 C LYS A 87 -3.902 -13.089 6.081 1.00 0.00 C ATOM 1394 O LYS A 87 -3.454 -11.989 5.820 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.623 -13.787 8.105 1.00 0.00 C ATOM 1396 CG LYS A 87 -1.886 -14.950 8.768 1.00 0.00 C ATOM 1397 CD LYS A 87 -1.652 -14.624 10.241 1.00 0.00 C ATOM 1398 CE LYS A 87 -0.813 -15.728 10.886 1.00 0.00 C ATOM 1399 NZ LYS A 87 -1.655 -16.945 11.074 1.00 0.00 N ATOM 0 H LYS A 87 -1.084 -13.663 5.959 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.584 -15.119 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.984 -12.904 8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.508 -13.525 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.469 -15.866 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.934 -15.126 8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.143 -13.665 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.607 -14.530 10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.047 -15.961 10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.424 -15.390 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.130 -17.648 11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.530 -16.688 11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.894 -17.349 10.146 1.00 0.00 H new ATOM 1413 N GLU A 88 -5.152 -13.383 5.862 1.00 0.00 N ATOM 1414 CA GLU A 88 -6.072 -12.367 5.278 1.00 0.00 C ATOM 1415 C GLU A 88 -6.470 -11.343 6.346 1.00 0.00 C ATOM 1416 O GLU A 88 -6.599 -10.167 6.072 1.00 0.00 O ATOM 1417 CB GLU A 88 -7.327 -13.062 4.747 1.00 0.00 C ATOM 1418 CG GLU A 88 -6.947 -13.987 3.588 1.00 0.00 C ATOM 1419 CD GLU A 88 -8.210 -14.631 3.015 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -9.258 -14.477 3.620 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -8.108 -15.268 1.980 1.00 0.00 O ATOM 0 H GLU A 88 -5.579 -14.287 6.063 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.563 -11.853 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.802 -13.635 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.052 -12.320 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.430 -13.422 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.258 -14.757 3.934 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.684 -11.784 7.557 1.00 0.00 N ATOM 1429 CA LYS A 89 -7.094 -10.835 8.633 1.00 0.00 C ATOM 1430 C LYS A 89 -6.015 -9.769 8.834 1.00 0.00 C ATOM 1431 O LYS A 89 -6.299 -8.590 8.891 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.294 -11.606 9.940 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.454 -12.592 9.777 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.729 -13.278 11.116 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.801 -14.355 10.926 1.00 0.00 C ATOM 1436 NZ LYS A 89 -11.150 -13.725 10.975 1.00 0.00 N ATOM 0 H LYS A 89 -6.593 -12.758 7.847 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.026 -10.349 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.381 -12.141 10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.503 -10.913 10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.346 -12.068 9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.210 -13.335 9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.813 -13.725 11.503 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.061 -12.545 11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.658 -14.861 9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.713 -15.113 11.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.879 -14.455 10.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.283 -13.261 11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.231 -13.018 10.217 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.778 -10.170 8.941 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.690 -9.174 9.136 1.00 0.00 C ATOM 1452 C ASP A 90 -3.601 -8.270 7.907 1.00 0.00 C ATOM 1453 O ASP A 90 -3.395 -7.077 8.013 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.363 -9.909 9.329 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.391 -10.674 10.652 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -3.301 -10.441 11.430 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.500 -11.479 10.867 1.00 0.00 O ATOM 0 H ASP A 90 -4.475 -11.143 8.902 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.902 -8.567 10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.193 -10.598 8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.537 -9.198 9.326 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.752 -8.833 6.740 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.674 -8.015 5.499 1.00 0.00 C ATOM 1464 C ARG A 91 -4.748 -6.926 5.522 1.00 0.00 C ATOM 1465 O ARG A 91 -4.496 -5.787 5.182 1.00 0.00 O ATOM 1466 CB ARG A 91 -3.898 -8.928 4.291 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.721 -8.130 3.001 1.00 0.00 C ATOM 1468 CD ARG A 91 -3.942 -9.054 1.803 1.00 0.00 C ATOM 1469 NE ARG A 91 -5.377 -9.446 1.734 1.00 0.00 N ATOM 1470 CZ ARG A 91 -5.741 -10.465 1.004 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.848 -11.139 0.334 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -6.999 -10.808 0.943 1.00 0.00 N ATOM 0 H ARG A 91 -3.926 -9.827 6.593 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.694 -7.543 5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.193 -9.759 4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.899 -9.358 4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.429 -7.302 2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.722 -7.697 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.647 -8.550 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.316 -9.942 1.895 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.076 -8.918 2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.865 -10.870 0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.132 -11.935 -0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.698 -10.280 1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.283 -11.604 0.373 1.00 0.00 H new ATOM 1486 N ASN A 92 -5.945 -7.263 5.919 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.025 -6.241 5.958 1.00 0.00 C ATOM 1488 C ASN A 92 -6.642 -5.127 6.934 1.00 0.00 C ATOM 1489 O ASN A 92 -6.919 -3.967 6.705 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.329 -6.896 6.415 1.00 0.00 C ATOM 1491 CG ASN A 92 -8.807 -7.884 5.351 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.284 -7.914 4.255 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.795 -8.692 5.625 1.00 0.00 N ATOM 0 H ASN A 92 -6.220 -8.199 6.217 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.160 -5.818 4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.176 -7.412 7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.090 -6.134 6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.128 -9.348 4.919 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.234 -8.667 6.545 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.009 -5.468 8.022 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.611 -4.434 9.008 1.00 0.00 C ATOM 1502 C ASP A 93 -4.655 -3.437 8.350 1.00 0.00 C ATOM 1503 O ASP A 93 -4.726 -2.247 8.587 1.00 0.00 O ATOM 1504 CB ASP A 93 -4.914 -5.112 10.186 1.00 0.00 C ATOM 1505 CG ASP A 93 -5.917 -5.985 10.943 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.103 -5.837 10.696 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.482 -6.785 11.755 1.00 0.00 O ATOM 0 H ASP A 93 -5.751 -6.423 8.269 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.495 -3.902 9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.084 -5.721 9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.494 -4.361 10.854 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.750 -3.911 7.537 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.783 -2.985 6.884 1.00 0.00 C ATOM 1514 C LEU A 94 -3.524 -1.978 5.999 1.00 0.00 C ATOM 1515 O LEU A 94 -3.255 -0.794 6.038 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.803 -3.789 6.026 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.787 -2.839 5.385 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.046 -2.065 6.473 1.00 0.00 C ATOM 1519 CD2 LEU A 94 0.222 -3.643 4.568 1.00 0.00 C ATOM 0 H LEU A 94 -3.639 -4.896 7.298 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.238 -2.444 7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.288 -4.529 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.343 -4.336 5.253 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.314 -2.141 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.676 -1.390 6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.760 -1.487 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.476 -2.765 7.126 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.944 -2.965 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.743 -4.343 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.300 -4.195 3.787 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.452 -2.431 5.201 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.195 -1.483 4.324 1.00 0.00 C ATOM 1533 C ILE A 95 -6.033 -0.547 5.198 1.00 0.00 C ATOM 1534 O ILE A 95 -6.123 0.639 4.950 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.108 -2.265 3.378 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.275 -3.284 2.596 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -6.775 -1.300 2.395 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.200 -4.153 1.742 1.00 0.00 C ATOM 0 H ILE A 95 -4.726 -3.410 5.119 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.490 -0.898 3.733 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.873 -2.781 3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.554 -2.769 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.705 -3.908 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.425 -1.858 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.366 -0.569 2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.009 -0.784 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.606 -4.878 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.904 -4.679 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.750 -3.522 1.044 1.00 0.00 H new ATOM 1550 N THR A 96 -6.645 -1.077 6.221 1.00 0.00 N ATOM 1551 CA THR A 96 -7.479 -0.235 7.122 1.00 0.00 C ATOM 1552 C THR A 96 -6.619 0.870 7.744 1.00 0.00 C ATOM 1553 O THR A 96 -7.054 1.994 7.891 1.00 0.00 O ATOM 1554 CB THR A 96 -8.067 -1.110 8.232 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.745 -2.215 7.649 1.00 0.00 O ATOM 1556 CG2 THR A 96 -9.051 -0.288 9.065 1.00 0.00 C ATOM 0 H THR A 96 -6.602 -2.065 6.472 1.00 0.00 H new ATOM 0 HA THR A 96 -8.285 0.220 6.547 1.00 0.00 H new ATOM 0 HB THR A 96 -7.265 -1.472 8.875 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.096 -2.912 7.418 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.469 -0.912 9.855 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.531 0.561 9.510 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.855 0.074 8.425 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.404 0.566 8.117 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.543 1.618 8.729 1.00 0.00 C ATOM 1566 C TYR A 97 -4.411 2.786 7.751 1.00 0.00 C ATOM 1567 O TYR A 97 -4.625 3.930 8.102 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.160 1.039 9.033 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.317 2.088 9.721 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.461 2.313 11.095 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.394 2.837 8.982 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.683 3.287 11.730 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.614 3.811 9.617 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.758 4.034 10.990 1.00 0.00 C ATOM 1575 OH TYR A 97 0.010 4.994 11.617 1.00 0.00 O ATOM 0 H TYR A 97 -4.975 -0.355 8.026 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.993 1.967 9.658 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.254 0.158 9.668 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.678 0.717 8.110 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.173 1.735 11.665 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.283 2.664 7.922 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.796 3.463 12.790 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.098 4.389 9.047 1.00 0.00 H new ATOM 0 HH TYR A 97 0.601 5.420 10.961 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.090 2.507 6.518 1.00 0.00 N ATOM 1586 CA LEU A 98 -3.980 3.602 5.517 1.00 0.00 C ATOM 1587 C LEU A 98 -5.373 4.167 5.267 1.00 0.00 C ATOM 1588 O LEU A 98 -5.547 5.339 4.993 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.409 3.053 4.209 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.979 2.564 4.439 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.432 1.971 3.141 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.105 3.746 4.864 1.00 0.00 C ATOM 0 H LEU A 98 -3.900 1.570 6.162 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.317 4.383 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.030 2.234 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.420 3.827 3.442 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.972 1.803 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.412 1.621 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.058 1.134 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.435 2.734 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.084 3.403 5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.111 4.503 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.497 4.175 5.786 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.370 3.332 5.359 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.762 3.796 5.129 1.00 0.00 C ATOM 1606 C LYS A 99 -8.085 4.930 6.106 1.00 0.00 C ATOM 1607 O LYS A 99 -8.680 5.925 5.747 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.720 2.627 5.375 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.119 2.990 4.882 1.00 0.00 C ATOM 1610 CD LYS A 99 -11.096 1.873 5.256 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.479 2.192 4.685 1.00 0.00 C ATOM 1612 NZ LYS A 99 -13.328 2.801 5.748 1.00 0.00 N ATOM 0 H LYS A 99 -6.277 2.342 5.585 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.870 4.156 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.362 1.737 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.750 2.387 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.440 3.932 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.110 3.133 3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.741 0.919 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.153 1.773 6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.387 2.877 3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.947 1.283 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.268 3.018 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.426 2.133 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.883 3.678 6.088 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.690 4.782 7.343 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.966 5.842 8.353 1.00 0.00 C ATOM 1628 C LYS A 100 -7.276 7.140 7.941 1.00 0.00 C ATOM 1629 O LYS A 100 -7.840 8.213 8.026 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.414 5.401 9.705 1.00 0.00 C ATOM 1631 CG LYS A 100 -8.183 4.181 10.204 1.00 0.00 C ATOM 1632 CD LYS A 100 -7.655 3.794 11.582 1.00 0.00 C ATOM 1633 CE LYS A 100 -8.456 2.611 12.128 1.00 0.00 C ATOM 1634 NZ LYS A 100 -7.524 1.515 12.513 1.00 0.00 N ATOM 0 H LYS A 100 -7.186 3.969 7.697 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.042 6.004 8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.354 5.163 9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.498 6.215 10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.249 4.403 10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.065 3.350 9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.599 3.531 11.517 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.731 4.642 12.262 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.043 2.923 12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.160 2.256 11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.976 0.910 13.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.292 0.946 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.652 1.923 12.906 1.00 0.00 H new ATOM 1648 N ALA A 101 -6.055 7.046 7.505 1.00 0.00 N ATOM 1649 CA ALA A 101 -5.314 8.273 7.095 1.00 0.00 C ATOM 1650 C ALA A 101 -6.102 9.002 6.005 1.00 0.00 C ATOM 1651 O ALA A 101 -6.174 10.214 5.985 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.937 7.882 6.554 1.00 0.00 C ATOM 0 H ALA A 101 -5.535 6.173 7.414 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.192 8.929 7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.396 8.779 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.376 7.362 7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.058 7.226 5.692 1.00 0.00 H new