USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 935 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 100 TYR OH : rot 37:sc= -0.802 USER MOD Set 1.2: A 104 ASN : amide:sc= 1.22 K(o=0.42,f=-2) USER MOD Set 2.1: A 28 SER OG : rot -143:sc= -1.03! USER MOD Set 2.2: A 85 ASN :FLIP amide:sc=-0.00773 F(o=-8.4!,f=-1) USER MOD Set 3.1: A 30 MET CE :methyl -175:sc= -0.149 (180deg=-0.17) USER MOD Set 3.2: A 32 LYS NZ :NH3+ -161:sc= -0.0673 (180deg=-0.642) USER MOD Set 3.3: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.256 (180deg=-0.524) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.69 F(o=-5.7!,f=-1.7) USER MOD Single : A 7 SER OG : rot -19:sc= 0.418 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -36:sc= -0.0755! USER MOD Single : A 21 SER OG : rot 180:sc= -0.0501 USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.0829 (180deg=-0.647) USER MOD Single : A 23 SER OG : rot 100:sc= -0.359 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.6!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -1.19 (180deg=-1.27) USER MOD Single : A 45 SER OG : rot 180:sc= -0.332 USER MOD Single : A 46 THR OG1 : rot -130:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 141:sc= -0.91 (180deg=-4.72!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -161:sc= 0.00481 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.0595 F(o=-0.76,f=-0.059) USER MOD Single : A 76 THR OG1 : rot 90:sc= -2.56! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc=-0.00291 K(o=-0.0029,f=-0.52) USER MOD Single : A 94 MET CE :methyl -137:sc= -0.268 (180deg=-1.38!) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -134:sc= -0.993 (180deg=-2.3!) USER MOD Single : A 111 SER OG : rot 13:sc= 0.904 USER MOD Single : A 115 HIS : no HD1:sc= -0.352 K(o=-0.35,f=-1.4) USER MOD Single : A 116 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-2.9!) USER MOD Single : A 117 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.31) USER MOD Single : A 118 HIS : no HE2:sc= 0.17 K(o=0.17,f=-2!) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.114 2.353 10.158 1.00 0.00 N ATOM 2 CA MET A 1 11.616 1.683 8.927 1.00 0.00 C ATOM 3 C MET A 1 10.426 1.337 8.037 1.00 0.00 C ATOM 4 O MET A 1 10.578 0.896 6.913 1.00 0.00 O ATOM 5 CB MET A 1 12.364 0.400 9.314 1.00 0.00 C ATOM 6 CG MET A 1 13.678 0.755 10.016 1.00 0.00 C ATOM 7 SD MET A 1 14.789 1.573 8.842 1.00 0.00 S ATOM 8 CE MET A 1 16.098 1.996 10.017 1.00 0.00 C ATOM 0 H1 MET A 1 11.910 2.788 10.666 1.00 0.00 H new ATOM 0 H2 MET A 1 10.426 3.088 9.897 1.00 0.00 H new ATOM 0 H3 MET A 1 10.654 1.651 10.772 1.00 0.00 H new ATOM 0 HA MET A 1 12.296 2.345 8.391 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.743 -0.209 9.971 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.566 -0.196 8.424 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.483 1.410 10.865 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.147 -0.147 10.409 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.900 2.518 9.495 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.693 2.641 10.797 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.491 1.085 10.468 1.00 0.00 H new ATOM 20 N ALA A 2 9.237 1.537 8.537 1.00 0.00 N ATOM 21 CA ALA A 2 8.024 1.221 7.736 1.00 0.00 C ATOM 22 C ALA A 2 7.703 2.387 6.796 1.00 0.00 C ATOM 23 O ALA A 2 7.452 3.499 7.222 1.00 0.00 O ATOM 24 CB ALA A 2 6.843 0.982 8.681 1.00 0.00 C ATOM 0 H ALA A 2 9.055 1.907 9.470 1.00 0.00 H new ATOM 0 HA ALA A 2 8.205 0.325 7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.952 0.750 8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.071 0.147 9.344 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.665 1.879 9.275 1.00 0.00 H new ATOM 30 N GLU A 3 7.711 2.133 5.515 1.00 0.00 N ATOM 31 CA GLU A 3 7.407 3.209 4.534 1.00 0.00 C ATOM 32 C GLU A 3 6.897 2.590 3.235 1.00 0.00 C ATOM 33 O GLU A 3 7.122 1.420 2.951 1.00 0.00 O ATOM 34 CB GLU A 3 8.671 4.026 4.248 1.00 0.00 C ATOM 35 CG GLU A 3 9.804 3.088 3.830 1.00 0.00 C ATOM 36 CD GLU A 3 11.069 3.903 3.545 1.00 0.00 C ATOM 37 OE1 GLU A 3 10.972 5.117 3.503 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.116 3.298 3.386 1.00 0.00 O ATOM 0 H GLU A 3 7.916 1.221 5.106 1.00 0.00 H new ATOM 0 HA GLU A 3 6.642 3.864 4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.476 4.752 3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.960 4.590 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.998 2.362 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.515 2.525 2.943 1.00 0.00 H new ATOM 45 N ILE A 4 6.211 3.375 2.440 1.00 0.00 N ATOM 46 CA ILE A 4 5.660 2.868 1.149 1.00 0.00 C ATOM 47 C ILE A 4 6.473 3.437 -0.008 1.00 0.00 C ATOM 48 O ILE A 4 6.690 4.633 -0.113 1.00 0.00 O ATOM 49 CB ILE A 4 4.202 3.310 1.008 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.464 3.064 2.332 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.532 2.513 -0.114 1.00 0.00 C ATOM 52 CD1 ILE A 4 3.561 1.587 2.727 1.00 0.00 C ATOM 0 H ILE A 4 6.009 4.356 2.635 1.00 0.00 H new ATOM 0 HA ILE A 4 5.715 1.779 1.134 1.00 0.00 H new ATOM 0 HB ILE A 4 4.164 4.372 0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.893 3.687 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.418 3.353 2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.493 2.828 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.058 2.693 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.567 1.450 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.034 1.426 3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.110 0.972 1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.609 1.310 2.847 1.00 0.00 H new ATOM 64 N GLN A 5 6.932 2.577 -0.877 1.00 0.00 N ATOM 65 CA GLN A 5 7.740 3.030 -2.042 1.00 0.00 C ATOM 66 C GLN A 5 7.315 2.248 -3.282 1.00 0.00 C ATOM 67 O GLN A 5 7.118 1.046 -3.240 1.00 0.00 O ATOM 68 CB GLN A 5 9.220 2.776 -1.754 1.00 0.00 C ATOM 69 CG GLN A 5 9.677 3.706 -0.628 1.00 0.00 C ATOM 70 CD GLN A 5 11.155 3.461 -0.323 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.520 3.219 0.905 1.00 0.00 O flip ATOM 72 NE2 GLN A 5 11.986 3.485 -1.212 1.00 0.00 N flip ATOM 0 H GLN A 5 6.779 1.570 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 5 7.581 4.095 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.374 1.735 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.813 2.952 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.523 4.746 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.078 3.532 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.700 3.674 -2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.968 3.316 -0.996 1.00 0.00 H new ATOM 81 N PHE A 6 7.175 2.927 -4.390 1.00 0.00 N ATOM 82 CA PHE A 6 6.769 2.249 -5.656 1.00 0.00 C ATOM 83 C PHE A 6 8.000 2.094 -6.550 1.00 0.00 C ATOM 84 O PHE A 6 7.987 1.362 -7.521 1.00 0.00 O ATOM 85 CB PHE A 6 5.726 3.116 -6.371 1.00 0.00 C ATOM 86 CG PHE A 6 4.385 2.961 -5.692 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.689 1.753 -5.799 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.840 4.020 -4.952 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.449 1.600 -5.169 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.600 3.866 -4.321 1.00 0.00 C ATOM 91 CZ PHE A 6 1.905 2.656 -4.430 1.00 0.00 C ATOM 0 H PHE A 6 7.326 3.932 -4.472 1.00 0.00 H new ATOM 0 HA PHE A 6 6.345 1.268 -5.440 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.034 4.161 -6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.651 2.822 -7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.109 0.937 -6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.376 4.954 -4.869 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.912 0.667 -5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.180 4.681 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.948 2.537 -3.943 1.00 0.00 H new ATOM 101 N SER A 7 9.066 2.781 -6.225 1.00 0.00 N ATOM 102 CA SER A 7 10.300 2.677 -7.058 1.00 0.00 C ATOM 103 C SER A 7 11.485 3.318 -6.329 1.00 0.00 C ATOM 104 O SER A 7 11.332 3.972 -5.314 1.00 0.00 O ATOM 105 CB SER A 7 10.088 3.386 -8.395 1.00 0.00 C ATOM 106 OG SER A 7 9.020 2.764 -9.096 1.00 0.00 O ATOM 0 H SER A 7 9.134 3.407 -5.422 1.00 0.00 H new ATOM 0 HA SER A 7 10.513 1.623 -7.234 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.863 4.440 -8.229 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.001 3.345 -8.990 1.00 0.00 H new ATOM 0 HG SER A 7 8.865 1.869 -8.729 1.00 0.00 H new ATOM 112 N LYS A 8 12.669 3.120 -6.847 1.00 0.00 N ATOM 113 CA LYS A 8 13.888 3.693 -6.211 1.00 0.00 C ATOM 114 C LYS A 8 14.004 5.194 -6.504 1.00 0.00 C ATOM 115 O LYS A 8 13.703 5.659 -7.589 1.00 0.00 O ATOM 116 CB LYS A 8 15.121 2.979 -6.757 1.00 0.00 C ATOM 117 CG LYS A 8 15.114 1.522 -6.286 1.00 0.00 C ATOM 118 CD LYS A 8 16.275 0.753 -6.936 1.00 0.00 C ATOM 119 CE LYS A 8 17.597 1.108 -6.247 1.00 0.00 C ATOM 120 NZ LYS A 8 18.660 0.166 -6.697 1.00 0.00 N ATOM 0 H LYS A 8 12.843 2.579 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 8 13.816 3.554 -5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.127 3.021 -7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.027 3.479 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.203 1.482 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.165 1.052 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.096 -0.320 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.333 0.996 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.880 2.133 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.482 1.053 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.557 0.406 -6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.390 -0.807 -6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.776 0.240 -7.728 1.00 0.00 H new ATOM 134 N GLY A 9 14.447 5.947 -5.533 1.00 0.00 N ATOM 135 CA GLY A 9 14.597 7.418 -5.722 1.00 0.00 C ATOM 136 C GLY A 9 13.254 8.107 -5.477 1.00 0.00 C ATOM 137 O GLY A 9 13.005 9.197 -5.962 1.00 0.00 O ATOM 0 H GLY A 9 14.713 5.603 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 9 15.348 7.808 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.947 7.631 -6.732 1.00 0.00 H new ATOM 141 N VAL A 10 12.385 7.478 -4.723 1.00 0.00 N ATOM 142 CA VAL A 10 11.045 8.079 -4.424 1.00 0.00 C ATOM 143 C VAL A 10 11.004 8.501 -2.956 1.00 0.00 C ATOM 144 O VAL A 10 10.396 9.490 -2.591 1.00 0.00 O ATOM 145 CB VAL A 10 9.943 7.048 -4.697 1.00 0.00 C ATOM 146 CG1 VAL A 10 10.126 6.462 -6.096 1.00 0.00 C ATOM 147 CG2 VAL A 10 10.014 5.918 -3.661 1.00 0.00 C ATOM 0 H VAL A 10 12.548 6.565 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 10 10.883 8.949 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 10 8.972 7.539 -4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.342 5.729 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.066 7.260 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.100 5.977 -6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.228 5.190 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.986 5.429 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.878 6.332 -2.662 1.00 0.00 H new ATOM 157 N ALA A 11 11.658 7.751 -2.119 1.00 0.00 N ATOM 158 CA ALA A 11 11.685 8.082 -0.664 1.00 0.00 C ATOM 159 C ALA A 11 10.260 8.161 -0.107 1.00 0.00 C ATOM 160 O ALA A 11 9.286 8.165 -0.838 1.00 0.00 O ATOM 161 CB ALA A 11 12.391 9.421 -0.446 1.00 0.00 C ATOM 0 H ALA A 11 12.181 6.915 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 11 12.228 7.295 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.406 9.655 0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.413 9.358 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.857 10.205 -0.982 1.00 0.00 H new ATOM 167 N GLU A 12 10.144 8.217 1.195 1.00 0.00 N ATOM 168 CA GLU A 12 8.802 8.282 1.831 1.00 0.00 C ATOM 169 C GLU A 12 8.262 9.711 1.787 1.00 0.00 C ATOM 170 O GLU A 12 8.979 10.671 2.006 1.00 0.00 O ATOM 171 CB GLU A 12 8.908 7.815 3.286 1.00 0.00 C ATOM 172 CG GLU A 12 9.710 8.833 4.107 1.00 0.00 C ATOM 173 CD GLU A 12 9.994 8.260 5.500 1.00 0.00 C ATOM 174 OE1 GLU A 12 9.165 7.514 5.992 1.00 0.00 O ATOM 175 OE2 GLU A 12 11.037 8.579 6.050 1.00 0.00 O ATOM 0 H GLU A 12 10.929 8.220 1.846 1.00 0.00 H new ATOM 0 HA GLU A 12 8.117 7.633 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.912 7.696 3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.392 6.839 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.647 9.067 3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.153 9.766 4.193 1.00 0.00 H new ATOM 182 N THR A 13 6.996 9.845 1.513 1.00 0.00 N ATOM 183 CA THR A 13 6.368 11.189 1.453 1.00 0.00 C ATOM 184 C THR A 13 4.849 11.016 1.392 1.00 0.00 C ATOM 185 O THR A 13 4.093 11.803 1.931 1.00 0.00 O ATOM 186 CB THR A 13 6.849 11.921 0.194 1.00 0.00 C ATOM 187 OG1 THR A 13 8.252 11.748 0.048 1.00 0.00 O ATOM 188 CG2 THR A 13 6.519 13.410 0.304 1.00 0.00 C ATOM 0 H THR A 13 6.362 9.068 1.326 1.00 0.00 H new ATOM 0 HA THR A 13 6.643 11.770 2.333 1.00 0.00 H new ATOM 0 HB THR A 13 6.343 11.507 -0.678 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.676 11.750 0.932 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.863 13.926 -0.593 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.441 13.537 0.405 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.018 13.830 1.178 1.00 0.00 H new ATOM 196 N VAL A 14 4.404 9.984 0.724 1.00 0.00 N ATOM 197 CA VAL A 14 2.939 9.735 0.600 1.00 0.00 C ATOM 198 C VAL A 14 2.411 9.040 1.855 1.00 0.00 C ATOM 199 O VAL A 14 3.013 8.109 2.366 1.00 0.00 O ATOM 200 CB VAL A 14 2.673 8.857 -0.628 1.00 0.00 C ATOM 201 CG1 VAL A 14 1.165 8.781 -0.902 1.00 0.00 C ATOM 202 CG2 VAL A 14 3.384 9.463 -1.842 1.00 0.00 C ATOM 0 H VAL A 14 4.998 9.299 0.256 1.00 0.00 H new ATOM 0 HA VAL A 14 2.425 10.689 0.486 1.00 0.00 H new ATOM 0 HB VAL A 14 3.051 7.852 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.985 8.155 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.659 8.351 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.778 9.783 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.199 8.843 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.004 10.469 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.456 9.509 -1.650 1.00 0.00 H new ATOM 212 N VAL A 15 1.282 9.485 2.354 1.00 0.00 N ATOM 213 CA VAL A 15 0.679 8.868 3.575 1.00 0.00 C ATOM 214 C VAL A 15 -0.684 8.254 3.213 1.00 0.00 C ATOM 215 O VAL A 15 -1.715 8.870 3.401 1.00 0.00 O ATOM 216 CB VAL A 15 0.498 9.946 4.650 1.00 0.00 C ATOM 217 CG1 VAL A 15 1.840 10.194 5.343 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.014 11.248 4.002 1.00 0.00 C ATOM 0 H VAL A 15 0.747 10.260 1.961 1.00 0.00 H new ATOM 0 HA VAL A 15 1.335 8.086 3.958 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.240 9.611 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.718 10.960 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.187 9.270 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.572 10.529 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.113 12.011 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.749 11.587 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.939 11.073 3.502 1.00 0.00 H new ATOM 228 N PRO A 16 -0.684 7.053 2.681 1.00 0.00 N ATOM 229 CA PRO A 16 -1.929 6.348 2.267 1.00 0.00 C ATOM 230 C PRO A 16 -2.671 5.710 3.446 1.00 0.00 C ATOM 231 O PRO A 16 -2.098 5.414 4.478 1.00 0.00 O ATOM 232 CB PRO A 16 -1.426 5.287 1.281 1.00 0.00 C ATOM 233 CG PRO A 16 -0.041 4.960 1.744 1.00 0.00 C ATOM 234 CD PRO A 16 0.511 6.225 2.420 1.00 0.00 C ATOM 0 HA PRO A 16 -2.659 7.030 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.065 4.404 1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.422 5.667 0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.054 4.123 2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.588 4.665 0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.037 5.984 3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.220 6.743 1.775 1.00 0.00 H new ATOM 242 N GLU A 17 -3.950 5.502 3.291 1.00 0.00 N ATOM 243 CA GLU A 17 -4.750 4.892 4.388 1.00 0.00 C ATOM 244 C GLU A 17 -4.653 3.369 4.311 1.00 0.00 C ATOM 245 O GLU A 17 -4.512 2.791 3.247 1.00 0.00 O ATOM 246 CB GLU A 17 -6.212 5.320 4.249 1.00 0.00 C ATOM 247 CG GLU A 17 -6.997 4.892 5.494 1.00 0.00 C ATOM 248 CD GLU A 17 -6.547 5.730 6.692 1.00 0.00 C ATOM 249 OE1 GLU A 17 -5.799 6.670 6.487 1.00 0.00 O ATOM 250 OE2 GLU A 17 -6.961 5.417 7.797 1.00 0.00 O ATOM 0 H GLU A 17 -4.477 5.730 2.448 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.362 5.228 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.274 6.401 4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.650 4.869 3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.066 5.023 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.833 3.833 5.695 1.00 0.00 H new ATOM 257 N VAL A 18 -4.731 2.720 5.443 1.00 0.00 N ATOM 258 CA VAL A 18 -4.645 1.232 5.486 1.00 0.00 C ATOM 259 C VAL A 18 -6.018 0.644 5.799 1.00 0.00 C ATOM 260 O VAL A 18 -6.701 1.074 6.713 1.00 0.00 O ATOM 261 CB VAL A 18 -3.662 0.822 6.575 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.621 -0.703 6.677 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.271 1.348 6.220 1.00 0.00 C ATOM 0 H VAL A 18 -4.852 3.166 6.352 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.306 0.859 4.519 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.978 1.239 7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.918 -0.997 7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.614 -1.078 6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.302 -1.123 5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.563 1.057 6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.956 0.927 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.301 2.435 6.145 1.00 0.00 H new ATOM 273 N ARG A 19 -6.425 -0.339 5.038 1.00 0.00 N ATOM 274 CA ARG A 19 -7.752 -0.986 5.260 1.00 0.00 C ATOM 275 C ARG A 19 -7.577 -2.499 5.309 1.00 0.00 C ATOM 276 O ARG A 19 -6.749 -3.067 4.617 1.00 0.00 O ATOM 277 CB ARG A 19 -8.697 -0.618 4.118 1.00 0.00 C ATOM 278 CG ARG A 19 -9.076 0.859 4.232 1.00 0.00 C ATOM 279 CD ARG A 19 -10.012 1.237 3.086 1.00 0.00 C ATOM 280 NE ARG A 19 -10.399 2.671 3.216 1.00 0.00 N ATOM 281 CZ ARG A 19 -11.392 3.156 2.519 1.00 0.00 C ATOM 282 NH1 ARG A 19 -12.067 2.388 1.707 1.00 0.00 N ATOM 283 NH2 ARG A 19 -11.714 4.415 2.640 1.00 0.00 N ATOM 0 H ARG A 19 -5.887 -0.725 4.262 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.172 -0.638 6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.218 -0.809 3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.592 -1.239 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.562 1.047 5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.180 1.478 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.520 1.067 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.901 0.606 3.104 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.885 3.278 3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.820 1.403 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.841 2.773 1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.191 5.016 3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.489 4.798 2.098 1.00 0.00 H new ATOM 297 N LEU A 20 -8.353 -3.155 6.134 1.00 0.00 N ATOM 298 CA LEU A 20 -8.256 -4.640 6.264 1.00 0.00 C ATOM 299 C LEU A 20 -9.512 -5.294 5.695 1.00 0.00 C ATOM 300 O LEU A 20 -10.625 -4.877 5.958 1.00 0.00 O ATOM 301 CB LEU A 20 -8.121 -5.009 7.742 1.00 0.00 C ATOM 302 CG LEU A 20 -6.902 -4.300 8.344 1.00 0.00 C ATOM 303 CD1 LEU A 20 -6.787 -4.665 9.827 1.00 0.00 C ATOM 304 CD2 LEU A 20 -5.625 -4.732 7.604 1.00 0.00 C ATOM 0 H LEU A 20 -9.057 -2.720 6.730 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.385 -4.993 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.023 -4.722 8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.015 -6.089 7.849 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.023 -3.222 8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.921 -4.163 10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.689 -4.348 10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.669 -5.744 9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.764 -4.224 8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.496 -5.810 7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.709 -4.469 6.550 1.00 0.00 H new ATOM 316 N SER A 21 -9.330 -6.323 4.917 1.00 0.00 N ATOM 317 CA SER A 21 -10.495 -7.029 4.319 1.00 0.00 C ATOM 318 C SER A 21 -10.078 -8.445 3.931 1.00 0.00 C ATOM 319 O SER A 21 -8.905 -8.779 3.919 1.00 0.00 O ATOM 320 CB SER A 21 -10.970 -6.286 3.074 1.00 0.00 C ATOM 321 OG SER A 21 -12.200 -6.850 2.637 1.00 0.00 O ATOM 0 H SER A 21 -8.418 -6.707 4.668 1.00 0.00 H new ATOM 0 HA SER A 21 -11.306 -7.066 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.099 -5.226 3.295 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.222 -6.358 2.285 1.00 0.00 H new ATOM 0 HG SER A 21 -12.512 -6.376 1.838 1.00 0.00 H new ATOM 327 N LYS A 22 -11.036 -9.284 3.619 1.00 0.00 N ATOM 328 CA LYS A 22 -10.728 -10.696 3.232 1.00 0.00 C ATOM 329 C LYS A 22 -11.191 -10.947 1.797 1.00 0.00 C ATOM 330 O LYS A 22 -12.221 -10.464 1.363 1.00 0.00 O ATOM 331 CB LYS A 22 -11.450 -11.648 4.180 1.00 0.00 C ATOM 332 CG LYS A 22 -10.998 -13.082 3.894 1.00 0.00 C ATOM 333 CD LYS A 22 -11.646 -14.036 4.898 1.00 0.00 C ATOM 334 CE LYS A 22 -11.179 -15.465 4.611 1.00 0.00 C ATOM 335 NZ LYS A 22 -9.702 -15.554 4.799 1.00 0.00 N ATOM 0 H LYS A 22 -12.028 -9.048 3.616 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.653 -10.866 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.232 -11.385 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.529 -11.561 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.274 -13.365 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.912 -13.151 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.377 -13.750 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.732 -13.975 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.684 -16.164 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.444 -15.748 3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.429 -16.548 4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.222 -15.180 3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.424 -14.997 5.632 1.00 0.00 H new ATOM 349 N SER A 23 -10.426 -11.705 1.057 1.00 0.00 N ATOM 350 CA SER A 23 -10.790 -11.995 -0.356 1.00 0.00 C ATOM 351 C SER A 23 -12.107 -12.768 -0.418 1.00 0.00 C ATOM 352 O SER A 23 -12.297 -13.766 0.254 1.00 0.00 O ATOM 353 CB SER A 23 -9.676 -12.825 -0.991 1.00 0.00 C ATOM 354 OG SER A 23 -10.008 -13.104 -2.345 1.00 0.00 O ATOM 0 H SER A 23 -9.559 -12.138 1.375 1.00 0.00 H new ATOM 0 HA SER A 23 -10.913 -11.057 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.731 -12.284 -0.941 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.541 -13.755 -0.439 1.00 0.00 H new ATOM 0 HG SER A 23 -9.528 -12.485 -2.934 1.00 0.00 H new ATOM 360 N LYS A 24 -13.014 -12.305 -1.232 1.00 0.00 N ATOM 361 CA LYS A 24 -14.327 -12.989 -1.375 1.00 0.00 C ATOM 362 C LYS A 24 -14.124 -14.364 -2.016 1.00 0.00 C ATOM 363 O LYS A 24 -14.754 -15.338 -1.649 1.00 0.00 O ATOM 364 CB LYS A 24 -15.232 -12.140 -2.274 1.00 0.00 C ATOM 365 CG LYS A 24 -15.452 -10.749 -1.659 1.00 0.00 C ATOM 366 CD LYS A 24 -16.496 -10.822 -0.539 1.00 0.00 C ATOM 367 CE LYS A 24 -16.737 -9.425 0.028 1.00 0.00 C ATOM 368 NZ LYS A 24 -17.764 -9.506 1.105 1.00 0.00 N ATOM 0 H LYS A 24 -12.899 -11.473 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.785 -13.114 -0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.782 -12.040 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.191 -12.640 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.511 -10.365 -1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.783 -10.052 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.428 -11.235 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.152 -11.491 0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.808 -9.015 0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.072 -8.752 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.933 -8.557 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.651 -9.881 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.426 -10.136 1.860 1.00 0.00 H new ATOM 382 N ASN A 25 -13.247 -14.446 -2.980 1.00 0.00 N ATOM 383 CA ASN A 25 -12.996 -15.748 -3.660 1.00 0.00 C ATOM 384 C ASN A 25 -12.245 -16.687 -2.707 1.00 0.00 C ATOM 385 O ASN A 25 -11.935 -17.818 -3.038 1.00 0.00 O ATOM 386 CB ASN A 25 -12.170 -15.499 -4.933 1.00 0.00 C ATOM 387 CG ASN A 25 -12.361 -16.658 -5.915 1.00 0.00 C ATOM 388 OD1 ASN A 25 -12.905 -17.686 -5.562 1.00 0.00 O ATOM 389 ND2 ASN A 25 -11.935 -16.537 -7.145 1.00 0.00 N ATOM 0 H ASN A 25 -12.692 -13.664 -3.327 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.942 -16.215 -3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.477 -14.562 -5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.115 -15.397 -4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.060 -17.304 -7.806 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.478 -15.675 -7.444 1.00 0.00 H new ATOM 396 N GLY A 26 -11.954 -16.222 -1.519 1.00 0.00 N ATOM 397 CA GLY A 26 -11.229 -17.070 -0.529 1.00 0.00 C ATOM 398 C GLY A 26 -9.720 -16.992 -0.789 1.00 0.00 C ATOM 399 O GLY A 26 -8.962 -17.855 -0.382 1.00 0.00 O ATOM 0 H GLY A 26 -12.190 -15.285 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.451 -16.734 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.568 -18.103 -0.604 1.00 0.00 H new ATOM 403 N GLN A 27 -9.282 -15.967 -1.469 1.00 0.00 N ATOM 404 CA GLN A 27 -7.829 -15.830 -1.768 1.00 0.00 C ATOM 405 C GLN A 27 -7.076 -15.424 -0.495 1.00 0.00 C ATOM 406 O GLN A 27 -6.233 -14.546 -0.504 1.00 0.00 O ATOM 407 CB GLN A 27 -7.632 -14.766 -2.854 1.00 0.00 C ATOM 408 CG GLN A 27 -6.242 -14.930 -3.482 1.00 0.00 C ATOM 409 CD GLN A 27 -6.048 -13.892 -4.592 1.00 0.00 C ATOM 410 OE1 GLN A 27 -6.099 -12.701 -4.347 1.00 0.00 O ATOM 411 NE2 GLN A 27 -5.819 -14.300 -5.811 1.00 0.00 N ATOM 0 H GLN A 27 -9.870 -15.217 -1.831 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.438 -16.783 -2.123 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.403 -14.864 -3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.734 -13.769 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.472 -14.809 -2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.133 -15.935 -3.889 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.776 -15.298 -6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.683 -13.620 -6.559 1.00 0.00 H new ATOM 420 N SER A 28 -7.373 -16.078 0.595 1.00 0.00 N ATOM 421 CA SER A 28 -6.688 -15.772 1.883 1.00 0.00 C ATOM 422 C SER A 28 -6.946 -14.328 2.316 1.00 0.00 C ATOM 423 O SER A 28 -7.619 -13.565 1.648 1.00 0.00 O ATOM 424 CB SER A 28 -5.183 -15.996 1.737 1.00 0.00 C ATOM 425 OG SER A 28 -4.590 -14.848 1.146 1.00 0.00 O ATOM 0 H SER A 28 -8.070 -16.821 0.648 1.00 0.00 H new ATOM 0 HA SER A 28 -7.090 -16.440 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.736 -16.188 2.713 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.993 -16.875 1.121 1.00 0.00 H new ATOM 0 HG SER A 28 -3.870 -15.126 0.542 1.00 0.00 H new ATOM 431 N GLY A 29 -6.408 -13.959 3.450 1.00 0.00 N ATOM 432 CA GLY A 29 -6.604 -12.583 3.978 1.00 0.00 C ATOM 433 C GLY A 29 -5.935 -11.558 3.065 1.00 0.00 C ATOM 434 O GLY A 29 -5.017 -11.864 2.326 1.00 0.00 O ATOM 0 H GLY A 29 -5.834 -14.564 4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.669 -12.366 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.187 -12.510 4.983 1.00 0.00 H new ATOM 438 N MET A 30 -6.391 -10.333 3.112 1.00 0.00 N ATOM 439 CA MET A 30 -5.788 -9.282 2.248 1.00 0.00 C ATOM 440 C MET A 30 -5.988 -7.903 2.877 1.00 0.00 C ATOM 441 O MET A 30 -6.685 -7.742 3.863 1.00 0.00 O ATOM 442 CB MET A 30 -6.452 -9.299 0.865 1.00 0.00 C ATOM 443 CG MET A 30 -7.962 -9.525 1.008 1.00 0.00 C ATOM 444 SD MET A 30 -8.717 -9.555 -0.636 1.00 0.00 S ATOM 445 CE MET A 30 -8.900 -7.766 -0.847 1.00 0.00 C ATOM 0 H MET A 30 -7.154 -10.018 3.711 1.00 0.00 H new ATOM 0 HA MET A 30 -4.722 -9.485 2.148 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.265 -8.356 0.351 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.015 -10.088 0.253 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.154 -10.464 1.527 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.405 -8.732 1.610 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.435 -7.562 -1.774 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.460 -7.356 -0.007 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.915 -7.302 -0.887 1.00 0.00 H new ATOM 455 N ALA A 31 -5.377 -6.908 2.293 1.00 0.00 N ATOM 456 CA ALA A 31 -5.516 -5.519 2.814 1.00 0.00 C ATOM 457 C ALA A 31 -5.458 -4.542 1.640 1.00 0.00 C ATOM 458 O ALA A 31 -4.685 -4.710 0.713 1.00 0.00 O ATOM 459 CB ALA A 31 -4.376 -5.220 3.786 1.00 0.00 C ATOM 0 H ALA A 31 -4.782 -7.000 1.470 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.467 -5.414 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.479 -4.204 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.413 -5.924 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.422 -5.319 3.269 1.00 0.00 H new ATOM 465 N LYS A 32 -6.276 -3.521 1.675 1.00 0.00 N ATOM 466 CA LYS A 32 -6.297 -2.516 0.569 1.00 0.00 C ATOM 467 C LYS A 32 -5.661 -1.213 1.040 1.00 0.00 C ATOM 468 O LYS A 32 -5.844 -0.784 2.165 1.00 0.00 O ATOM 469 CB LYS A 32 -7.742 -2.259 0.152 1.00 0.00 C ATOM 470 CG LYS A 32 -8.275 -3.491 -0.579 1.00 0.00 C ATOM 471 CD LYS A 32 -9.718 -3.247 -1.014 1.00 0.00 C ATOM 472 CE LYS A 32 -10.247 -4.490 -1.731 1.00 0.00 C ATOM 473 NZ LYS A 32 -9.432 -4.747 -2.953 1.00 0.00 N ATOM 0 H LYS A 32 -6.937 -3.339 2.430 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.732 -2.900 -0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.355 -2.047 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.797 -1.384 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.654 -3.707 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.224 -4.363 0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.338 -3.022 -0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.769 -2.382 -1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.204 -5.352 -1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.293 -4.348 -2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.961 -5.367 -3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.226 -3.845 -3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.539 -5.208 -2.684 1.00 0.00 H new ATOM 487 N PHE A 33 -4.912 -0.581 0.173 1.00 0.00 N ATOM 488 CA PHE A 33 -4.241 0.703 0.526 1.00 0.00 C ATOM 489 C PHE A 33 -4.779 1.806 -0.374 1.00 0.00 C ATOM 490 O PHE A 33 -4.777 1.698 -1.588 1.00 0.00 O ATOM 491 CB PHE A 33 -2.734 0.551 0.316 1.00 0.00 C ATOM 492 CG PHE A 33 -2.147 -0.228 1.471 1.00 0.00 C ATOM 493 CD1 PHE A 33 -2.504 -1.568 1.659 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.258 0.391 2.359 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.970 -2.290 2.731 1.00 0.00 C ATOM 496 CE2 PHE A 33 -0.724 -0.332 3.432 1.00 0.00 C ATOM 497 CZ PHE A 33 -1.081 -1.672 3.619 1.00 0.00 C ATOM 0 H PHE A 33 -4.736 -0.906 -0.778 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.437 0.957 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.536 0.036 -0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.264 1.532 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.192 -2.045 0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.985 1.426 2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.243 -3.325 2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.037 0.144 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.671 -2.230 4.448 1.00 0.00 H new ATOM 507 N TYR A 34 -5.249 2.869 0.222 1.00 0.00 N ATOM 508 CA TYR A 34 -5.811 4.000 -0.568 1.00 0.00 C ATOM 509 C TYR A 34 -4.772 5.114 -0.672 1.00 0.00 C ATOM 510 O TYR A 34 -4.213 5.557 0.317 1.00 0.00 O ATOM 511 CB TYR A 34 -7.058 4.525 0.137 1.00 0.00 C ATOM 512 CG TYR A 34 -7.814 5.440 -0.795 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.650 4.897 -1.776 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.676 6.827 -0.683 1.00 0.00 C ATOM 515 CE1 TYR A 34 -9.351 5.740 -2.645 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.376 7.672 -1.552 1.00 0.00 C ATOM 517 CZ TYR A 34 -9.214 7.127 -2.534 1.00 0.00 C ATOM 518 OH TYR A 34 -9.905 7.959 -3.391 1.00 0.00 O ATOM 0 H TYR A 34 -5.267 3.002 1.233 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.072 3.659 -1.570 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.693 3.694 0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.778 5.062 1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.755 3.826 -1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.029 7.246 0.074 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.998 5.320 -3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.270 8.743 -1.466 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.698 8.893 -3.178 1.00 0.00 H new ATOM 528 N PHE A 35 -4.511 5.569 -1.871 1.00 0.00 N ATOM 529 CA PHE A 35 -3.508 6.656 -2.081 1.00 0.00 C ATOM 530 C PHE A 35 -4.227 7.920 -2.542 1.00 0.00 C ATOM 531 O PHE A 35 -4.853 7.951 -3.590 1.00 0.00 O ATOM 532 CB PHE A 35 -2.514 6.215 -3.148 1.00 0.00 C ATOM 533 CG PHE A 35 -1.682 5.077 -2.609 1.00 0.00 C ATOM 534 CD1 PHE A 35 -2.209 3.779 -2.576 1.00 0.00 C ATOM 535 CD2 PHE A 35 -0.386 5.317 -2.147 1.00 0.00 C ATOM 536 CE1 PHE A 35 -1.435 2.724 -2.076 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.387 4.264 -1.648 1.00 0.00 C ATOM 538 CZ PHE A 35 -0.137 2.967 -1.612 1.00 0.00 C ATOM 0 H PHE A 35 -4.956 5.229 -2.724 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.979 6.860 -1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.043 5.901 -4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.872 7.049 -3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.210 3.592 -2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.020 6.317 -2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.840 1.723 -2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.389 4.452 -1.290 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.460 2.154 -1.226 1.00 0.00 H new ATOM 548 N LEU A 36 -4.147 8.959 -1.754 1.00 0.00 N ATOM 549 CA LEU A 36 -4.828 10.236 -2.105 1.00 0.00 C ATOM 550 C LEU A 36 -3.850 11.185 -2.804 1.00 0.00 C ATOM 551 O LEU A 36 -2.773 11.472 -2.309 1.00 0.00 O ATOM 552 CB LEU A 36 -5.359 10.889 -0.822 1.00 0.00 C ATOM 553 CG LEU A 36 -6.022 12.239 -1.144 1.00 0.00 C ATOM 554 CD1 LEU A 36 -7.166 12.041 -2.151 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.570 12.851 0.149 1.00 0.00 C ATOM 0 H LEU A 36 -3.633 8.976 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.655 10.029 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.080 10.228 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.542 11.037 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.282 12.908 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.628 13.004 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.771 11.609 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.912 11.369 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.041 13.808 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.306 12.177 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.753 13.004 0.854 1.00 0.00 H new ATOM 567 N GLU A 37 -4.245 11.679 -3.949 1.00 0.00 N ATOM 568 CA GLU A 37 -3.392 12.629 -4.729 1.00 0.00 C ATOM 569 C GLU A 37 -1.913 12.238 -4.638 1.00 0.00 C ATOM 570 O GLU A 37 -1.125 12.912 -4.005 1.00 0.00 O ATOM 571 CB GLU A 37 -3.584 14.051 -4.191 1.00 0.00 C ATOM 572 CG GLU A 37 -4.982 14.546 -4.570 1.00 0.00 C ATOM 573 CD GLU A 37 -5.223 15.930 -3.958 1.00 0.00 C ATOM 574 OE1 GLU A 37 -4.303 16.729 -3.973 1.00 0.00 O ATOM 575 OE2 GLU A 37 -6.324 16.163 -3.487 1.00 0.00 O ATOM 0 H GLU A 37 -5.140 11.460 -4.386 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.695 12.587 -5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.462 14.063 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.825 14.715 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.079 14.595 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.736 13.844 -4.214 1.00 0.00 H new ATOM 582 N PRO A 38 -1.542 11.156 -5.273 1.00 0.00 N ATOM 583 CA PRO A 38 -0.136 10.670 -5.270 1.00 0.00 C ATOM 584 C PRO A 38 0.825 11.695 -5.893 1.00 0.00 C ATOM 585 O PRO A 38 0.508 12.364 -6.861 1.00 0.00 O ATOM 586 CB PRO A 38 -0.181 9.365 -6.092 1.00 0.00 C ATOM 587 CG PRO A 38 -1.628 8.976 -6.140 1.00 0.00 C ATOM 588 CD PRO A 38 -2.420 10.280 -6.055 1.00 0.00 C ATOM 0 HA PRO A 38 0.239 10.511 -4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.218 9.518 -7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.420 8.585 -5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.857 8.440 -7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.881 8.312 -5.313 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.623 10.692 -7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.383 10.135 -5.566 1.00 0.00 H new ATOM 596 N THR A 39 1.992 11.824 -5.326 1.00 0.00 N ATOM 597 CA THR A 39 2.995 12.800 -5.847 1.00 0.00 C ATOM 598 C THR A 39 3.845 12.155 -6.947 1.00 0.00 C ATOM 599 O THR A 39 4.489 12.832 -7.726 1.00 0.00 O ATOM 600 CB THR A 39 3.900 13.240 -4.696 1.00 0.00 C ATOM 601 OG1 THR A 39 4.673 12.132 -4.258 1.00 0.00 O ATOM 602 CG2 THR A 39 3.043 13.761 -3.539 1.00 0.00 C ATOM 0 H THR A 39 2.299 11.289 -4.514 1.00 0.00 H new ATOM 0 HA THR A 39 2.475 13.661 -6.267 1.00 0.00 H new ATOM 0 HB THR A 39 4.564 14.035 -5.036 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.256 12.411 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.690 14.074 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.451 14.611 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.378 12.970 -3.194 1.00 0.00 H new ATOM 610 N ILE A 40 3.866 10.848 -7.013 1.00 0.00 N ATOM 611 CA ILE A 40 4.690 10.173 -8.057 1.00 0.00 C ATOM 612 C ILE A 40 4.113 10.474 -9.444 1.00 0.00 C ATOM 613 O ILE A 40 4.606 10.005 -10.455 1.00 0.00 O ATOM 614 CB ILE A 40 4.706 8.659 -7.798 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.733 7.985 -8.722 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.315 8.067 -8.065 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.057 6.585 -8.200 1.00 0.00 C ATOM 0 H ILE A 40 3.351 10.223 -6.392 1.00 0.00 H new ATOM 0 HA ILE A 40 5.713 10.548 -8.016 1.00 0.00 H new ATOM 0 HB ILE A 40 4.980 8.481 -6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.338 7.923 -9.736 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.642 8.585 -8.770 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.335 6.993 -7.879 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.587 8.536 -7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.034 8.251 -9.102 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.785 6.111 -8.858 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.470 6.658 -7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.147 5.986 -8.175 1.00 0.00 H new ATOM 629 N LEU A 41 3.085 11.276 -9.501 1.00 0.00 N ATOM 630 CA LEU A 41 2.482 11.631 -10.817 1.00 0.00 C ATOM 631 C LEU A 41 3.320 12.739 -11.459 1.00 0.00 C ATOM 632 O LEU A 41 3.140 13.088 -12.612 1.00 0.00 O ATOM 633 CB LEU A 41 1.054 12.139 -10.595 1.00 0.00 C ATOM 634 CG LEU A 41 0.230 11.064 -9.879 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.183 11.596 -9.609 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.149 9.797 -10.745 1.00 0.00 C ATOM 0 H LEU A 41 2.636 11.702 -8.690 1.00 0.00 H new ATOM 0 HA LEU A 41 2.461 10.757 -11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.071 13.053 -10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.593 12.388 -11.551 1.00 0.00 H new ATOM 0 HG LEU A 41 0.712 10.816 -8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.769 10.831 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.123 12.485 -8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.663 11.851 -10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.439 9.039 -10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.326 10.036 -11.697 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.154 9.415 -10.926 1.00 0.00 H new ATOM 648 N ALA A 42 4.249 13.283 -10.719 1.00 0.00 N ATOM 649 CA ALA A 42 5.121 14.362 -11.268 1.00 0.00 C ATOM 650 C ALA A 42 6.402 13.738 -11.825 1.00 0.00 C ATOM 651 O ALA A 42 7.120 14.346 -12.598 1.00 0.00 O ATOM 652 CB ALA A 42 5.483 15.336 -10.147 1.00 0.00 C ATOM 0 H ALA A 42 4.442 13.024 -9.751 1.00 0.00 H new ATOM 0 HA ALA A 42 4.594 14.893 -12.061 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.120 16.126 -10.543 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.573 15.775 -9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.014 14.802 -9.359 1.00 0.00 H new ATOM 658 N LYS A 43 6.690 12.521 -11.437 1.00 0.00 N ATOM 659 CA LYS A 43 7.918 11.831 -11.934 1.00 0.00 C ATOM 660 C LYS A 43 7.529 10.774 -12.968 1.00 0.00 C ATOM 661 O LYS A 43 8.078 10.718 -14.053 1.00 0.00 O ATOM 662 CB LYS A 43 8.622 11.149 -10.760 1.00 0.00 C ATOM 663 CG LYS A 43 9.186 12.216 -9.816 1.00 0.00 C ATOM 664 CD LYS A 43 9.998 11.549 -8.699 1.00 0.00 C ATOM 665 CE LYS A 43 9.066 10.808 -7.735 1.00 0.00 C ATOM 666 NZ LYS A 43 9.800 10.497 -6.478 1.00 0.00 N ATOM 0 H LYS A 43 6.122 11.972 -10.792 1.00 0.00 H new ATOM 0 HA LYS A 43 8.585 12.561 -12.393 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.922 10.507 -10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.425 10.509 -11.125 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.817 12.909 -10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.372 12.801 -9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.717 10.852 -9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.570 12.302 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.191 11.419 -7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.705 9.888 -8.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.288 9.762 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.755 10.155 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.871 11.356 -5.896 1.00 0.00 H new ATOM 680 N GLU A 44 6.583 9.928 -12.637 1.00 0.00 N ATOM 681 CA GLU A 44 6.151 8.862 -13.593 1.00 0.00 C ATOM 682 C GLU A 44 4.626 8.725 -13.568 1.00 0.00 C ATOM 683 O GLU A 44 3.969 9.097 -12.615 1.00 0.00 O ATOM 684 CB GLU A 44 6.791 7.528 -13.195 1.00 0.00 C ATOM 685 CG GLU A 44 8.314 7.618 -13.340 1.00 0.00 C ATOM 686 CD GLU A 44 8.684 7.821 -14.811 1.00 0.00 C ATOM 687 OE1 GLU A 44 7.852 7.532 -15.656 1.00 0.00 O ATOM 688 OE2 GLU A 44 9.792 8.264 -15.068 1.00 0.00 O ATOM 0 H GLU A 44 6.091 9.931 -11.744 1.00 0.00 H new ATOM 0 HA GLU A 44 6.469 9.134 -14.599 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.529 7.281 -12.166 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.404 6.726 -13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.697 8.445 -12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.779 6.708 -12.961 1.00 0.00 H new ATOM 695 N SER A 45 4.064 8.192 -14.623 1.00 0.00 N ATOM 696 CA SER A 45 2.584 8.027 -14.692 1.00 0.00 C ATOM 697 C SER A 45 2.137 6.828 -13.852 1.00 0.00 C ATOM 698 O SER A 45 2.930 5.989 -13.464 1.00 0.00 O ATOM 699 CB SER A 45 2.167 7.813 -16.147 1.00 0.00 C ATOM 700 OG SER A 45 0.785 7.476 -16.199 1.00 0.00 O ATOM 0 H SER A 45 4.572 7.863 -15.444 1.00 0.00 H new ATOM 0 HA SER A 45 2.111 8.926 -14.297 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.354 8.717 -16.727 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.763 7.018 -16.594 1.00 0.00 H new ATOM 0 HG SER A 45 0.516 7.340 -17.132 1.00 0.00 H new ATOM 706 N THR A 46 0.863 6.751 -13.574 1.00 0.00 N ATOM 707 CA THR A 46 0.327 5.623 -12.763 1.00 0.00 C ATOM 708 C THR A 46 0.497 4.303 -13.525 1.00 0.00 C ATOM 709 O THR A 46 0.782 3.268 -12.948 1.00 0.00 O ATOM 710 CB THR A 46 -1.161 5.859 -12.495 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.794 4.616 -12.230 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.814 6.504 -13.722 1.00 0.00 C ATOM 0 H THR A 46 0.165 7.429 -13.878 1.00 0.00 H new ATOM 0 HA THR A 46 0.872 5.568 -11.821 1.00 0.00 H new ATOM 0 HB THR A 46 -1.270 6.521 -11.636 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.596 4.532 -12.787 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.873 6.670 -13.526 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.330 7.458 -13.932 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.703 5.844 -14.582 1.00 0.00 H new ATOM 720 N ASP A 47 0.317 4.335 -14.816 1.00 0.00 N ATOM 721 CA ASP A 47 0.456 3.093 -15.633 1.00 0.00 C ATOM 722 C ASP A 47 1.923 2.651 -15.659 1.00 0.00 C ATOM 723 O ASP A 47 2.241 1.523 -15.997 1.00 0.00 O ATOM 724 CB ASP A 47 -0.012 3.377 -17.061 1.00 0.00 C ATOM 725 CG ASP A 47 -1.532 3.540 -17.086 1.00 0.00 C ATOM 726 OD1 ASP A 47 -2.158 3.241 -16.084 1.00 0.00 O ATOM 727 OD2 ASP A 47 -2.046 3.961 -18.112 1.00 0.00 O ATOM 0 H ASP A 47 0.078 5.173 -15.345 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.151 2.301 -15.194 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.466 4.282 -17.437 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.286 2.562 -17.720 1.00 0.00 H new ATOM 732 N ASP A 48 2.822 3.527 -15.302 1.00 0.00 N ATOM 733 CA ASP A 48 4.270 3.169 -15.300 1.00 0.00 C ATOM 734 C ASP A 48 4.635 2.529 -13.960 1.00 0.00 C ATOM 735 O ASP A 48 5.768 2.153 -13.726 1.00 0.00 O ATOM 736 CB ASP A 48 5.109 4.434 -15.500 1.00 0.00 C ATOM 737 CG ASP A 48 4.939 4.943 -16.932 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.432 4.195 -17.750 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.320 6.075 -17.187 1.00 0.00 O ATOM 0 H ASP A 48 2.615 4.482 -15.010 1.00 0.00 H new ATOM 0 HA ASP A 48 4.470 2.466 -16.108 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.800 5.203 -14.791 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.159 4.221 -15.302 1.00 0.00 H new ATOM 744 N ILE A 49 3.683 2.407 -13.071 1.00 0.00 N ATOM 745 CA ILE A 49 3.976 1.798 -11.739 1.00 0.00 C ATOM 746 C ILE A 49 3.650 0.309 -11.766 1.00 0.00 C ATOM 747 O ILE A 49 2.518 -0.093 -11.966 1.00 0.00 O ATOM 748 CB ILE A 49 3.132 2.482 -10.660 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.520 3.960 -10.576 1.00 0.00 C ATOM 750 CG2 ILE A 49 3.385 1.812 -9.307 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.548 4.702 -9.656 1.00 0.00 C ATOM 0 H ILE A 49 2.717 2.702 -13.210 1.00 0.00 H new ATOM 0 HA ILE A 49 5.034 1.933 -11.514 1.00 0.00 H new ATOM 0 HB ILE A 49 2.076 2.393 -10.915 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.538 4.057 -10.198 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.505 4.406 -11.570 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.783 2.301 -8.541 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.112 0.758 -9.366 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.441 1.899 -9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.830 5.753 -9.601 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.536 4.618 -10.052 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.585 4.264 -8.659 1.00 0.00 H new ATOM 763 N THR A 50 4.648 -0.513 -11.558 1.00 0.00 N ATOM 764 CA THR A 50 4.441 -1.989 -11.561 1.00 0.00 C ATOM 765 C THR A 50 4.700 -2.543 -10.158 1.00 0.00 C ATOM 766 O THR A 50 5.774 -2.403 -9.603 1.00 0.00 O ATOM 767 CB THR A 50 5.410 -2.633 -12.554 1.00 0.00 C ATOM 768 OG1 THR A 50 5.178 -2.099 -13.849 1.00 0.00 O ATOM 769 CG2 THR A 50 5.190 -4.146 -12.582 1.00 0.00 C ATOM 0 H THR A 50 5.609 -0.218 -11.384 1.00 0.00 H new ATOM 0 HA THR A 50 3.416 -2.215 -11.854 1.00 0.00 H new ATOM 0 HB THR A 50 6.435 -2.423 -12.248 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.799 -2.508 -14.488 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.882 -4.601 -13.290 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.365 -4.558 -11.588 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.166 -4.359 -12.887 1.00 0.00 H new ATOM 777 N GLY A 51 3.710 -3.178 -9.592 1.00 0.00 N ATOM 778 CA GLY A 51 3.855 -3.772 -8.234 1.00 0.00 C ATOM 779 C GLY A 51 4.123 -2.692 -7.184 1.00 0.00 C ATOM 780 O GLY A 51 4.250 -1.519 -7.484 1.00 0.00 O ATOM 0 H GLY A 51 2.794 -3.312 -10.020 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.948 -4.318 -7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.672 -4.493 -8.235 1.00 0.00 H new ATOM 784 N MET A 52 4.212 -3.100 -5.942 1.00 0.00 N ATOM 785 CA MET A 52 4.474 -2.140 -4.831 1.00 0.00 C ATOM 786 C MET A 52 5.580 -2.700 -3.939 1.00 0.00 C ATOM 787 O MET A 52 5.611 -3.883 -3.632 1.00 0.00 O ATOM 788 CB MET A 52 3.197 -1.948 -4.012 1.00 0.00 C ATOM 789 CG MET A 52 3.457 -0.955 -2.880 1.00 0.00 C ATOM 790 SD MET A 52 1.895 -0.576 -2.047 1.00 0.00 S ATOM 791 CE MET A 52 1.577 -2.225 -1.371 1.00 0.00 C ATOM 0 H MET A 52 4.112 -4.072 -5.649 1.00 0.00 H new ATOM 0 HA MET A 52 4.786 -1.178 -5.238 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.394 -1.583 -4.652 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.869 -2.903 -3.603 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.169 -1.374 -2.169 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.902 -0.042 -3.276 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.161 -2.133 -0.368 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.868 -2.750 -2.011 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.510 -2.786 -1.327 1.00 0.00 H new ATOM 801 N TYR A 53 6.497 -1.854 -3.535 1.00 0.00 N ATOM 802 CA TYR A 53 7.631 -2.304 -2.669 1.00 0.00 C ATOM 803 C TYR A 53 7.434 -1.791 -1.242 1.00 0.00 C ATOM 804 O TYR A 53 7.515 -0.605 -0.968 1.00 0.00 O ATOM 805 CB TYR A 53 8.939 -1.757 -3.239 1.00 0.00 C ATOM 806 CG TYR A 53 9.217 -2.418 -4.568 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.613 -1.933 -5.734 1.00 0.00 C ATOM 808 CD2 TYR A 53 10.075 -3.524 -4.632 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.870 -2.552 -6.965 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.332 -4.142 -5.863 1.00 0.00 C ATOM 811 CZ TYR A 53 9.728 -3.656 -7.029 1.00 0.00 C ATOM 812 OH TYR A 53 9.980 -4.266 -8.241 1.00 0.00 O ATOM 0 H TYR A 53 6.508 -0.862 -3.771 1.00 0.00 H new ATOM 0 HA TYR A 53 7.665 -3.393 -2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.871 -0.676 -3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.759 -1.947 -2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.949 -1.082 -5.685 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.538 -3.900 -3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.406 -2.177 -7.865 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.996 -4.993 -5.912 1.00 0.00 H new ATOM 0 HH TYR A 53 10.597 -5.015 -8.108 1.00 0.00 H new ATOM 822 N LEU A 54 7.174 -2.693 -0.329 1.00 0.00 N ATOM 823 CA LEU A 54 6.965 -2.306 1.097 1.00 0.00 C ATOM 824 C LEU A 54 8.245 -2.564 1.890 1.00 0.00 C ATOM 825 O LEU A 54 8.783 -3.659 1.883 1.00 0.00 O ATOM 826 CB LEU A 54 5.818 -3.138 1.678 1.00 0.00 C ATOM 827 CG LEU A 54 4.539 -2.892 0.864 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.410 -3.769 1.416 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.137 -1.410 0.964 1.00 0.00 C ATOM 0 H LEU A 54 7.097 -3.693 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 54 6.715 -1.247 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.076 -4.197 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.654 -2.871 2.722 1.00 0.00 H new ATOM 0 HG LEU A 54 4.720 -3.144 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.501 -3.597 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.694 -4.819 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.231 -3.516 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.229 -1.239 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.956 -1.152 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.941 -0.788 0.570 1.00 0.00 H new ATOM 841 N ILE A 55 8.741 -1.561 2.577 1.00 0.00 N ATOM 842 CA ILE A 55 9.996 -1.739 3.373 1.00 0.00 C ATOM 843 C ILE A 55 9.640 -1.904 4.852 1.00 0.00 C ATOM 844 O ILE A 55 9.379 -0.945 5.556 1.00 0.00 O ATOM 845 CB ILE A 55 10.886 -0.509 3.186 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.403 -0.466 1.740 1.00 0.00 C ATOM 847 CG2 ILE A 55 12.080 -0.580 4.144 1.00 0.00 C ATOM 848 CD1 ILE A 55 10.269 -0.116 0.765 1.00 0.00 C ATOM 0 H ILE A 55 8.331 -0.628 2.620 1.00 0.00 H new ATOM 0 HA ILE A 55 10.529 -2.627 3.033 1.00 0.00 H new ATOM 0 HB ILE A 55 10.304 0.388 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.201 0.272 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.832 -1.432 1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.710 0.299 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.720 -0.610 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.660 -1.479 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.659 -0.091 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.484 -0.869 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.858 0.861 1.020 1.00 0.00 H new ATOM 860 N ASP A 56 9.637 -3.126 5.320 1.00 0.00 N ATOM 861 CA ASP A 56 9.304 -3.396 6.748 1.00 0.00 C ATOM 862 C ASP A 56 10.583 -3.397 7.590 1.00 0.00 C ATOM 863 O ASP A 56 11.682 -3.264 7.078 1.00 0.00 O ATOM 864 CB ASP A 56 8.633 -4.766 6.864 1.00 0.00 C ATOM 865 CG ASP A 56 7.255 -4.730 6.195 1.00 0.00 C ATOM 866 OD1 ASP A 56 6.814 -3.650 5.846 1.00 0.00 O ATOM 867 OD2 ASP A 56 6.668 -5.789 6.044 1.00 0.00 O ATOM 0 H ASP A 56 9.853 -3.955 4.767 1.00 0.00 H new ATOM 0 HA ASP A 56 8.630 -2.619 7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.256 -5.527 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.530 -5.043 7.913 1.00 0.00 H new ATOM 872 N ASP A 57 10.440 -3.554 8.880 1.00 0.00 N ATOM 873 CA ASP A 57 11.621 -3.571 9.782 1.00 0.00 C ATOM 874 C ASP A 57 12.458 -4.826 9.536 1.00 0.00 C ATOM 875 O ASP A 57 12.040 -5.939 9.805 1.00 0.00 O ATOM 876 CB ASP A 57 11.153 -3.528 11.241 1.00 0.00 C ATOM 877 CG ASP A 57 10.218 -4.706 11.533 1.00 0.00 C ATOM 878 OD1 ASP A 57 9.869 -5.413 10.604 1.00 0.00 O ATOM 879 OD2 ASP A 57 9.864 -4.879 12.690 1.00 0.00 O ATOM 0 H ASP A 57 9.542 -3.672 9.349 1.00 0.00 H new ATOM 0 HA ASP A 57 12.239 -2.697 9.576 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.014 -3.564 11.908 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.637 -2.588 11.437 1.00 0.00 H new ATOM 884 N GLU A 58 13.644 -4.634 9.024 1.00 0.00 N ATOM 885 CA GLU A 58 14.554 -5.778 8.741 1.00 0.00 C ATOM 886 C GLU A 58 13.861 -6.758 7.794 1.00 0.00 C ATOM 887 O GLU A 58 14.084 -7.953 7.834 1.00 0.00 O ATOM 888 CB GLU A 58 14.945 -6.479 10.050 1.00 0.00 C ATOM 889 CG GLU A 58 15.822 -5.536 10.878 1.00 0.00 C ATOM 890 CD GLU A 58 16.175 -6.200 12.211 1.00 0.00 C ATOM 891 OE1 GLU A 58 15.796 -7.342 12.399 1.00 0.00 O ATOM 892 OE2 GLU A 58 16.821 -5.552 13.019 1.00 0.00 O ATOM 0 H GLU A 58 14.025 -3.718 8.787 1.00 0.00 H new ATOM 0 HA GLU A 58 15.463 -5.409 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.052 -6.753 10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.483 -7.403 9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.732 -5.294 10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.297 -4.597 11.056 1.00 0.00 H new ATOM 899 N GLY A 59 13.021 -6.250 6.936 1.00 0.00 N ATOM 900 CA GLY A 59 12.311 -7.133 5.974 1.00 0.00 C ATOM 901 C GLY A 59 11.489 -6.285 5.005 1.00 0.00 C ATOM 902 O GLY A 59 11.301 -5.098 5.202 1.00 0.00 O ATOM 0 H GLY A 59 12.796 -5.258 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.030 -7.738 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.660 -7.823 6.511 1.00 0.00 H new ATOM 906 N GLU A 60 10.993 -6.886 3.955 1.00 0.00 N ATOM 907 CA GLU A 60 10.181 -6.121 2.970 1.00 0.00 C ATOM 908 C GLU A 60 9.194 -7.056 2.278 1.00 0.00 C ATOM 909 O GLU A 60 9.447 -8.235 2.100 1.00 0.00 O ATOM 910 CB GLU A 60 11.093 -5.470 1.925 1.00 0.00 C ATOM 911 CG GLU A 60 12.111 -6.487 1.399 1.00 0.00 C ATOM 912 CD GLU A 60 13.193 -6.733 2.454 1.00 0.00 C ATOM 913 OE1 GLU A 60 13.491 -5.810 3.195 1.00 0.00 O ATOM 914 OE2 GLU A 60 13.702 -7.841 2.506 1.00 0.00 O ATOM 0 H GLU A 60 11.117 -7.875 3.739 1.00 0.00 H new ATOM 0 HA GLU A 60 9.632 -5.340 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.494 -5.085 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.613 -4.620 2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.610 -7.423 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.565 -6.118 0.479 1.00 0.00 H new ATOM 921 N ILE A 61 8.064 -6.527 1.883 1.00 0.00 N ATOM 922 CA ILE A 61 7.024 -7.344 1.193 1.00 0.00 C ATOM 923 C ILE A 61 6.731 -6.720 -0.167 1.00 0.00 C ATOM 924 O ILE A 61 6.493 -5.530 -0.281 1.00 0.00 O ATOM 925 CB ILE A 61 5.752 -7.366 2.036 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.042 -8.084 3.359 1.00 0.00 C ATOM 927 CG2 ILE A 61 4.652 -8.111 1.280 1.00 0.00 C ATOM 928 CD1 ILE A 61 4.871 -7.887 4.324 1.00 0.00 C ATOM 0 H ILE A 61 7.816 -5.546 2.013 1.00 0.00 H new ATOM 0 HA ILE A 61 7.380 -8.366 1.060 1.00 0.00 H new ATOM 0 HB ILE A 61 5.424 -6.346 2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.202 -9.147 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.959 -7.694 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.743 -8.127 1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.453 -7.605 0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.974 -9.133 1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.083 -8.399 5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.732 -6.823 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.963 -8.298 3.883 1.00 0.00 H new ATOM 940 N ILE A 62 6.762 -7.518 -1.202 1.00 0.00 N ATOM 941 CA ILE A 62 6.506 -7.002 -2.578 1.00 0.00 C ATOM 942 C ILE A 62 5.318 -7.735 -3.189 1.00 0.00 C ATOM 943 O ILE A 62 5.237 -8.952 -3.154 1.00 0.00 O ATOM 944 CB ILE A 62 7.746 -7.231 -3.439 1.00 0.00 C ATOM 945 CG1 ILE A 62 8.906 -6.409 -2.873 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.455 -6.793 -4.878 1.00 0.00 C ATOM 947 CD1 ILE A 62 10.219 -6.847 -3.517 1.00 0.00 C ATOM 0 H ILE A 62 6.956 -8.518 -1.151 1.00 0.00 H new ATOM 0 HA ILE A 62 6.283 -5.936 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 62 8.011 -8.288 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.736 -5.349 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.961 -6.538 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.339 -6.956 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.624 -7.376 -5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.194 -5.735 -4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.039 -6.257 -3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.392 -7.903 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.164 -6.695 -4.595 1.00 0.00 H new ATOM 959 N THR A 63 4.393 -6.998 -3.750 1.00 0.00 N ATOM 960 CA THR A 63 3.189 -7.627 -4.375 1.00 0.00 C ATOM 961 C THR A 63 3.002 -7.075 -5.787 1.00 0.00 C ATOM 962 O THR A 63 3.234 -5.910 -6.052 1.00 0.00 O ATOM 963 CB THR A 63 1.947 -7.322 -3.533 1.00 0.00 C ATOM 964 OG1 THR A 63 0.787 -7.725 -4.247 1.00 0.00 O ATOM 965 CG2 THR A 63 1.865 -5.823 -3.234 1.00 0.00 C ATOM 0 H THR A 63 4.420 -5.980 -3.802 1.00 0.00 H new ATOM 0 HA THR A 63 3.330 -8.707 -4.423 1.00 0.00 H new ATOM 0 HB THR A 63 2.012 -7.867 -2.591 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.000 -7.279 -3.871 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.978 -5.620 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.753 -5.513 -2.684 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.806 -5.268 -4.170 1.00 0.00 H new ATOM 973 N ARG A 64 2.592 -7.918 -6.697 1.00 0.00 N ATOM 974 CA ARG A 64 2.391 -7.480 -8.109 1.00 0.00 C ATOM 975 C ARG A 64 0.918 -7.131 -8.332 1.00 0.00 C ATOM 976 O ARG A 64 0.154 -7.905 -8.880 1.00 0.00 O ATOM 977 CB ARG A 64 2.804 -8.622 -9.044 1.00 0.00 C ATOM 978 CG ARG A 64 4.273 -9.006 -8.795 1.00 0.00 C ATOM 979 CD ARG A 64 5.209 -8.015 -9.498 1.00 0.00 C ATOM 980 NE ARG A 64 4.894 -7.981 -10.955 1.00 0.00 N ATOM 981 CZ ARG A 64 5.373 -8.893 -11.760 1.00 0.00 C ATOM 982 NH1 ARG A 64 6.131 -9.852 -11.298 1.00 0.00 N ATOM 983 NH2 ARG A 64 5.088 -8.846 -13.030 1.00 0.00 N ATOM 0 H ARG A 64 2.386 -8.901 -6.520 1.00 0.00 H new ATOM 0 HA ARG A 64 2.998 -6.599 -8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.161 -9.487 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.671 -8.318 -10.082 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.478 -9.013 -7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.459 -10.015 -9.162 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.093 -7.021 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.248 -8.309 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 64 4.300 -7.240 -11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.353 -9.893 -10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.501 -10.560 -11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.494 -8.100 -13.392 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.459 -9.555 -13.663 1.00 0.00 H new ATOM 997 N GLU A 65 0.519 -5.958 -7.907 1.00 0.00 N ATOM 998 CA GLU A 65 -0.899 -5.524 -8.079 1.00 0.00 C ATOM 999 C GLU A 65 -0.941 -4.035 -8.429 1.00 0.00 C ATOM 1000 O GLU A 65 -0.644 -3.634 -9.540 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.668 -5.754 -6.770 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.805 -7.253 -6.492 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.652 -7.903 -7.588 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -3.386 -7.184 -8.245 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.549 -9.107 -7.753 1.00 0.00 O ATOM 0 H GLU A 65 1.122 -5.278 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.357 -6.102 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.147 -5.270 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.656 -5.297 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.820 -7.718 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.268 -7.412 -5.518 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.313 -3.219 -7.482 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.390 -1.748 -7.726 1.00 0.00 C ATOM 1014 C VAL A 66 -2.345 -1.455 -8.883 1.00 0.00 C ATOM 1015 O VAL A 66 -2.092 -1.801 -10.022 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.002 -1.191 -8.049 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.031 0.336 -7.927 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.014 -1.762 -7.056 1.00 0.00 C ATOM 0 H VAL A 66 -1.570 -3.510 -6.539 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.765 -1.266 -6.823 1.00 0.00 H new ATOM 0 HB VAL A 66 0.282 -1.471 -9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.956 0.738 -8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.760 0.743 -8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.309 0.615 -6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.005 -1.368 -7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.732 -1.476 -6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.029 -2.849 -7.135 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.447 -0.806 -8.587 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.448 -0.463 -9.642 1.00 0.00 C ATOM 1030 C LYS A 67 -4.743 1.034 -9.583 1.00 0.00 C ATOM 1031 O LYS A 67 -5.249 1.548 -8.602 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.735 -1.250 -9.403 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.477 -2.732 -9.686 1.00 0.00 C ATOM 1034 CD LYS A 67 -6.729 -3.548 -9.344 1.00 0.00 C ATOM 1035 CE LYS A 67 -7.793 -3.367 -10.433 1.00 0.00 C ATOM 1036 NZ LYS A 67 -8.861 -4.391 -10.261 1.00 0.00 N ATOM 0 H LYS A 67 -3.696 -0.497 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.049 -0.720 -10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.072 -1.117 -8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.529 -0.877 -10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.215 -2.872 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.630 -3.083 -9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.470 -4.603 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.127 -3.230 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.221 -2.366 -10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.339 -3.462 -11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.582 -4.268 -11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.446 -5.342 -10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.301 -4.280 -9.325 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.415 1.734 -10.635 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.645 3.202 -10.668 1.00 0.00 C ATOM 1052 C GLY A 68 -6.135 3.519 -10.766 1.00 0.00 C ATOM 1053 O GLY A 68 -6.869 2.910 -11.524 1.00 0.00 O ATOM 0 H GLY A 68 -3.994 1.346 -11.479 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.230 3.659 -9.770 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.120 3.637 -11.518 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.579 4.493 -10.009 1.00 0.00 N ATOM 1058 CA LYS A 69 -8.012 4.902 -10.040 1.00 0.00 C ATOM 1059 C LYS A 69 -8.128 6.248 -10.752 1.00 0.00 C ATOM 1060 O LYS A 69 -7.481 7.226 -10.388 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.543 5.019 -8.610 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.817 3.619 -8.052 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.334 3.730 -6.618 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.734 2.342 -6.112 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.195 2.443 -4.698 1.00 0.00 N ATOM 0 H LYS A 69 -5.998 5.027 -9.363 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.600 4.156 -10.574 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.818 5.537 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.457 5.613 -8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.550 3.106 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.905 3.022 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.564 4.156 -5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.190 4.404 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.527 1.930 -6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.887 1.660 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.467 1.500 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.425 2.819 -4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.015 3.081 -4.645 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.942 6.294 -11.779 1.00 0.00 N ATOM 1080 CA PHE A 70 -9.114 7.549 -12.568 1.00 0.00 C ATOM 1081 C PHE A 70 -10.403 8.257 -12.162 1.00 0.00 C ATOM 1082 O PHE A 70 -11.485 7.698 -12.224 1.00 0.00 O ATOM 1083 CB PHE A 70 -9.179 7.194 -14.056 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.814 6.761 -14.532 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -7.405 5.430 -14.370 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -6.950 7.689 -15.126 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -6.138 5.027 -14.808 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -5.683 7.285 -15.564 1.00 0.00 C ATOM 1089 CZ PHE A 70 -5.276 5.955 -15.403 1.00 0.00 C ATOM 0 H PHE A 70 -9.500 5.505 -12.106 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.272 8.213 -12.375 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.902 6.395 -14.219 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.520 8.055 -14.631 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.068 4.715 -13.907 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.261 8.716 -15.246 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.826 4.000 -14.687 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.019 8.000 -16.027 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.297 5.645 -15.738 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.286 9.494 -11.746 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.482 10.282 -11.328 1.00 0.00 C ATOM 1101 C ILE A 71 -11.788 11.342 -12.383 1.00 0.00 C ATOM 1102 O ILE A 71 -10.978 12.204 -12.678 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.202 10.957 -9.983 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -10.912 9.879 -8.926 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.423 11.774 -9.561 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -9.539 9.224 -9.163 1.00 0.00 C ATOM 0 H ILE A 71 -9.400 9.996 -11.678 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.340 9.617 -11.227 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.340 11.618 -10.075 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.939 10.324 -7.931 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.691 9.118 -8.956 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.225 12.255 -8.603 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.630 12.535 -10.314 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.286 11.115 -9.465 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.361 8.466 -8.400 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -9.523 8.758 -10.148 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.759 9.984 -9.108 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.963 11.264 -12.950 1.00 0.00 N ATOM 1119 CA ASN A 72 -13.394 12.232 -14.004 1.00 0.00 C ATOM 1120 C ASN A 72 -12.432 12.186 -15.198 1.00 0.00 C ATOM 1121 O ASN A 72 -12.188 13.182 -15.857 1.00 0.00 O ATOM 1122 CB ASN A 72 -13.472 13.652 -13.428 1.00 0.00 C ATOM 1123 CG ASN A 72 -14.674 13.755 -12.484 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -14.475 13.990 -11.215 1.00 0.00 O flip ATOM 1125 ND2 ASN A 72 -15.807 13.617 -12.904 1.00 0.00 N flip ATOM 0 H ASN A 72 -13.658 10.554 -12.722 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.387 11.947 -14.351 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.553 13.889 -12.891 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.567 14.379 -14.235 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.965 13.433 -13.895 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -16.599 13.685 -12.265 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.896 11.030 -15.490 1.00 0.00 N ATOM 1133 CA GLY A 73 -10.965 10.901 -16.647 1.00 0.00 C ATOM 1134 C GLY A 73 -9.596 11.445 -16.268 1.00 0.00 C ATOM 1135 O GLY A 73 -8.889 12.009 -17.084 1.00 0.00 O ATOM 0 H GLY A 73 -12.065 10.167 -14.974 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.882 9.856 -16.944 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.359 11.446 -17.505 1.00 0.00 H new ATOM 1139 N ARG A 74 -9.204 11.279 -15.038 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.870 11.784 -14.616 1.00 0.00 C ATOM 1141 C ARG A 74 -7.338 10.933 -13.443 1.00 0.00 C ATOM 1142 O ARG A 74 -8.051 10.685 -12.491 1.00 0.00 O ATOM 1143 CB ARG A 74 -7.996 13.242 -14.167 1.00 0.00 C ATOM 1144 CG ARG A 74 -6.602 13.874 -14.087 1.00 0.00 C ATOM 1145 CD ARG A 74 -6.724 15.341 -13.678 1.00 0.00 C ATOM 1146 NE ARG A 74 -7.591 15.450 -12.470 1.00 0.00 N ATOM 1147 CZ ARG A 74 -7.095 15.251 -11.275 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -5.836 14.944 -11.123 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -7.869 15.356 -10.231 1.00 0.00 N ATOM 0 H ARG A 74 -9.747 10.817 -14.308 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.178 11.717 -15.455 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.619 13.797 -14.868 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.487 13.293 -13.195 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.989 13.335 -13.365 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.101 13.796 -15.052 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.737 15.755 -13.469 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.147 15.924 -14.496 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.579 15.682 -12.576 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.230 14.857 -11.939 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.458 14.791 -10.188 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.854 15.592 -10.348 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.489 15.202 -9.297 1.00 0.00 H new ATOM 1163 N PRO A 75 -6.095 10.498 -13.495 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.480 9.685 -12.402 1.00 0.00 C ATOM 1165 C PRO A 75 -5.212 10.541 -11.163 1.00 0.00 C ATOM 1166 O PRO A 75 -4.158 11.131 -11.012 1.00 0.00 O ATOM 1167 CB PRO A 75 -4.175 9.164 -13.021 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.818 10.161 -14.076 1.00 0.00 C ATOM 1169 CD PRO A 75 -5.138 10.733 -14.591 1.00 0.00 C ATOM 0 HA PRO A 75 -6.128 8.878 -12.059 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.388 9.084 -12.271 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.311 8.170 -13.448 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.186 10.949 -13.668 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.258 9.689 -14.883 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.048 11.795 -14.819 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.455 10.236 -15.508 1.00 0.00 H new ATOM 1177 N THR A 76 -6.175 10.624 -10.279 1.00 0.00 N ATOM 1178 CA THR A 76 -6.011 11.448 -9.050 1.00 0.00 C ATOM 1179 C THR A 76 -5.790 10.537 -7.843 1.00 0.00 C ATOM 1180 O THR A 76 -5.377 10.982 -6.788 1.00 0.00 O ATOM 1181 CB THR A 76 -7.286 12.268 -8.833 1.00 0.00 C ATOM 1182 OG1 THR A 76 -7.695 12.835 -10.068 1.00 0.00 O ATOM 1183 CG2 THR A 76 -7.017 13.380 -7.820 1.00 0.00 C ATOM 0 H THR A 76 -7.075 10.150 -10.360 1.00 0.00 H new ATOM 0 HA THR A 76 -5.152 12.109 -9.164 1.00 0.00 H new ATOM 0 HB THR A 76 -8.075 11.620 -8.451 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.299 12.216 -10.528 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.926 13.961 -7.668 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.704 12.941 -6.873 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.228 14.032 -8.196 1.00 0.00 H new ATOM 1191 N ALA A 77 -6.071 9.263 -7.977 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.885 8.346 -6.811 1.00 0.00 C ATOM 1193 C ALA A 77 -5.428 6.970 -7.287 1.00 0.00 C ATOM 1194 O ALA A 77 -5.693 6.562 -8.404 1.00 0.00 O ATOM 1195 CB ALA A 77 -7.208 8.208 -6.058 1.00 0.00 C ATOM 0 H ALA A 77 -6.416 8.824 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.124 8.763 -6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.074 7.540 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.529 9.187 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.966 7.798 -6.726 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.745 6.252 -6.432 1.00 0.00 N ATOM 1202 CA ILE A 78 -4.256 4.890 -6.793 1.00 0.00 C ATOM 1203 C ILE A 78 -4.570 3.928 -5.652 1.00 0.00 C ATOM 1204 O ILE A 78 -4.779 4.335 -4.524 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.744 4.924 -7.028 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.440 5.792 -8.251 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.230 3.502 -7.265 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.936 6.053 -8.337 1.00 0.00 C ATOM 0 H ILE A 78 -4.503 6.556 -5.489 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.751 4.558 -7.705 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.248 5.344 -6.153 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.785 5.294 -9.157 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.979 6.737 -8.182 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.153 3.527 -7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.447 2.886 -6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.723 3.078 -8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.723 6.671 -9.209 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.604 6.570 -7.436 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.407 5.104 -8.427 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.617 2.651 -5.935 1.00 0.00 N ATOM 1221 CA GLU A 79 -4.928 1.651 -4.871 1.00 0.00 C ATOM 1222 C GLU A 79 -4.040 0.418 -5.032 1.00 0.00 C ATOM 1223 O GLU A 79 -3.537 0.131 -6.105 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.397 1.238 -4.978 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.726 0.224 -3.878 1.00 0.00 C ATOM 1226 CD GLU A 79 -8.229 -0.051 -3.862 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -8.775 -0.307 -4.922 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -8.807 0.000 -2.791 1.00 0.00 O ATOM 0 H GLU A 79 -4.453 2.257 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.740 2.098 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.039 2.114 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.593 0.803 -5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.179 -0.703 -4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.407 0.608 -2.909 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.848 -0.312 -3.965 1.00 0.00 N ATOM 1236 CA ALA A 80 -2.997 -1.535 -4.029 1.00 0.00 C ATOM 1237 C ALA A 80 -3.541 -2.582 -3.060 1.00 0.00 C ATOM 1238 O ALA A 80 -4.095 -2.260 -2.024 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.564 -1.175 -3.637 1.00 0.00 C ATOM 0 H ALA A 80 -4.246 -0.112 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.008 -1.936 -5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.939 -2.067 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.176 -0.425 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.554 -0.776 -2.623 1.00 0.00 H new ATOM 1245 N THR A 81 -3.384 -3.839 -3.396 1.00 0.00 N ATOM 1246 CA THR A 81 -3.885 -4.940 -2.516 1.00 0.00 C ATOM 1247 C THR A 81 -2.724 -5.853 -2.131 1.00 0.00 C ATOM 1248 O THR A 81 -1.931 -6.261 -2.962 1.00 0.00 O ATOM 1249 CB THR A 81 -4.944 -5.751 -3.260 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.057 -4.915 -3.545 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.388 -6.923 -2.388 1.00 0.00 C ATOM 0 H THR A 81 -2.925 -4.152 -4.252 1.00 0.00 H new ATOM 0 HA THR A 81 -4.325 -4.510 -1.616 1.00 0.00 H new ATOM 0 HB THR A 81 -4.530 -6.134 -4.193 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.739 -5.430 -4.024 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.144 -7.504 -2.916 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.530 -7.559 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.807 -6.545 -1.456 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.619 -6.173 -0.867 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.515 -7.054 -0.385 1.00 0.00 C ATOM 1261 C VAL A 82 -2.088 -8.411 0.025 1.00 0.00 C ATOM 1262 O VAL A 82 -3.057 -8.501 0.760 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.839 -6.391 0.817 1.00 0.00 C ATOM 1264 CG1 VAL A 82 0.092 -7.390 1.511 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.025 -5.191 0.330 1.00 0.00 C ATOM 0 H VAL A 82 -3.260 -5.857 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.784 -7.202 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.599 -6.063 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.569 -6.910 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.486 -8.249 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.856 -7.723 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.461 -4.712 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.732 -5.528 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.687 -4.477 -0.160 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.486 -9.468 -0.459 1.00 0.00 N ATOM 1276 CA ILE A 83 -1.963 -10.838 -0.126 1.00 0.00 C ATOM 1277 C ILE A 83 -1.101 -11.422 0.991 1.00 0.00 C ATOM 1278 O ILE A 83 0.103 -11.558 0.859 1.00 0.00 O ATOM 1279 CB ILE A 83 -1.858 -11.726 -1.368 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.608 -11.073 -2.539 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -2.461 -13.099 -1.071 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -4.052 -10.745 -2.133 1.00 0.00 C ATOM 0 H ILE A 83 -0.675 -9.436 -1.077 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.001 -10.792 0.205 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.808 -11.844 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.094 -10.162 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.608 -11.744 -3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.385 -13.729 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.919 -13.564 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.510 -12.984 -0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.570 -10.283 -2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.567 -11.662 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.045 -10.056 -1.288 1.00 0.00 H new ATOM 1294 N LEU A 84 -1.717 -11.782 2.088 1.00 0.00 N ATOM 1295 CA LEU A 84 -0.965 -12.371 3.235 1.00 0.00 C ATOM 1296 C LEU A 84 -1.288 -13.864 3.318 1.00 0.00 C ATOM 1297 O LEU A 84 -1.890 -14.338 4.265 1.00 0.00 O ATOM 1298 CB LEU A 84 -1.390 -11.665 4.526 1.00 0.00 C ATOM 1299 CG LEU A 84 -1.194 -10.151 4.368 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -1.643 -9.436 5.648 1.00 0.00 C ATOM 1301 CD2 LEU A 84 0.287 -9.841 4.093 1.00 0.00 C ATOM 0 H LEU A 84 -2.722 -11.691 2.239 1.00 0.00 H new ATOM 0 HA LEU A 84 0.108 -12.241 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.434 -11.886 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.801 -12.033 5.366 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.794 -9.799 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.503 -8.361 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.696 -9.647 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.049 -9.791 6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.419 -8.765 3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.894 -10.197 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.599 -10.341 3.176 1.00 0.00 H new ATOM 1313 N ASN A 85 -0.881 -14.605 2.322 1.00 0.00 N ATOM 1314 CA ASN A 85 -1.138 -16.075 2.305 1.00 0.00 C ATOM 1315 C ASN A 85 -0.377 -16.744 3.453 1.00 0.00 C ATOM 1316 O ASN A 85 -0.862 -17.660 4.091 1.00 0.00 O ATOM 1317 CB ASN A 85 -0.646 -16.653 0.974 1.00 0.00 C ATOM 1318 CG ASN A 85 -1.564 -16.204 -0.164 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -2.843 -16.091 0.052 1.00 0.00 O flip ATOM 1320 ND2 ASN A 85 -1.109 -15.962 -1.267 1.00 0.00 N flip ATOM 0 H ASN A 85 -0.376 -14.250 1.510 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.206 -16.259 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.375 -16.323 0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.625 -17.742 1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.107 -16.051 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.730 -15.671 -2.022 1.00 0.00 H new ATOM 1327 N SER A 86 0.826 -16.301 3.705 1.00 0.00 N ATOM 1328 CA SER A 86 1.639 -16.915 4.790 1.00 0.00 C ATOM 1329 C SER A 86 1.090 -16.516 6.165 1.00 0.00 C ATOM 1330 O SER A 86 0.491 -15.471 6.340 1.00 0.00 O ATOM 1331 CB SER A 86 3.090 -16.449 4.659 1.00 0.00 C ATOM 1332 OG SER A 86 3.723 -17.171 3.612 1.00 0.00 O ATOM 0 H SER A 86 1.280 -15.538 3.203 1.00 0.00 H new ATOM 0 HA SER A 86 1.590 -18.000 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.123 -15.380 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.621 -16.607 5.598 1.00 0.00 H new ATOM 0 HG SER A 86 4.653 -16.873 3.525 1.00 0.00 H new ATOM 1338 N GLN A 87 1.305 -17.356 7.137 1.00 0.00 N ATOM 1339 CA GLN A 87 0.825 -17.080 8.521 1.00 0.00 C ATOM 1340 C GLN A 87 1.721 -16.038 9.215 1.00 0.00 C ATOM 1341 O GLN A 87 1.243 -15.010 9.656 1.00 0.00 O ATOM 1342 CB GLN A 87 0.844 -18.399 9.322 1.00 0.00 C ATOM 1343 CG GLN A 87 -0.550 -19.031 9.325 1.00 0.00 C ATOM 1344 CD GLN A 87 -0.497 -20.402 9.999 1.00 0.00 C ATOM 1345 OE1 GLN A 87 0.399 -21.185 9.750 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -1.431 -20.725 10.849 1.00 0.00 N ATOM 0 H GLN A 87 1.803 -18.240 7.029 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.187 -16.679 8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.564 -19.090 8.884 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.168 -18.208 10.345 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.251 -18.384 9.852 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.915 -19.132 8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.182 -20.066 11.056 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.411 -21.636 11.307 1.00 0.00 H new ATOM 1355 N PRO A 88 3.002 -16.302 9.339 1.00 0.00 N ATOM 1356 CA PRO A 88 3.947 -15.366 10.023 1.00 0.00 C ATOM 1357 C PRO A 88 3.917 -13.974 9.391 1.00 0.00 C ATOM 1358 O PRO A 88 4.142 -12.972 10.048 1.00 0.00 O ATOM 1359 CB PRO A 88 5.329 -16.033 9.836 1.00 0.00 C ATOM 1360 CG PRO A 88 5.142 -17.020 8.728 1.00 0.00 C ATOM 1361 CD PRO A 88 3.705 -17.503 8.851 1.00 0.00 C ATOM 0 HA PRO A 88 3.691 -15.211 11.071 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.091 -15.296 9.582 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.655 -16.526 10.752 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.319 -16.558 7.757 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.844 -17.849 8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.309 -17.844 7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.616 -18.336 9.548 1.00 0.00 H new ATOM 1369 N GLU A 89 3.629 -13.910 8.122 1.00 0.00 N ATOM 1370 CA GLU A 89 3.569 -12.593 7.435 1.00 0.00 C ATOM 1371 C GLU A 89 2.391 -11.784 7.979 1.00 0.00 C ATOM 1372 O GLU A 89 2.452 -10.574 8.096 1.00 0.00 O ATOM 1373 CB GLU A 89 3.394 -12.812 5.929 1.00 0.00 C ATOM 1374 CG GLU A 89 4.713 -13.302 5.321 1.00 0.00 C ATOM 1375 CD GLU A 89 4.584 -13.383 3.796 1.00 0.00 C ATOM 1376 OE1 GLU A 89 3.523 -13.061 3.292 1.00 0.00 O ATOM 1377 OE2 GLU A 89 5.555 -13.766 3.161 1.00 0.00 O ATOM 0 H GLU A 89 3.432 -14.717 7.530 1.00 0.00 H new ATOM 0 HA GLU A 89 4.494 -12.045 7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.605 -13.542 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.085 -11.883 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.522 -12.624 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.969 -14.281 5.726 1.00 0.00 H new ATOM 1384 N TRP A 90 1.316 -12.445 8.312 1.00 0.00 N ATOM 1385 CA TRP A 90 0.126 -11.722 8.849 1.00 0.00 C ATOM 1386 C TRP A 90 0.505 -10.991 10.141 1.00 0.00 C ATOM 1387 O TRP A 90 0.174 -9.835 10.338 1.00 0.00 O ATOM 1388 CB TRP A 90 -1.001 -12.746 9.132 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.188 -12.464 8.269 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.549 -13.183 7.184 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -3.164 -11.394 8.401 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.689 -12.622 6.639 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.105 -11.515 7.356 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -3.321 -10.342 9.320 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.167 -10.619 7.223 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.388 -9.439 9.190 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.309 -9.579 8.144 1.00 0.00 C ATOM 0 H TRP A 90 1.209 -13.457 8.236 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.221 -10.990 8.120 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.639 -13.757 8.944 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.288 -12.700 10.183 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.032 -14.052 6.805 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.164 -12.980 5.811 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.617 -10.228 10.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.874 -10.729 6.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.499 -8.633 9.900 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.129 -8.883 8.050 1.00 0.00 H new ATOM 1408 N ASP A 91 1.185 -11.663 11.022 1.00 0.00 N ATOM 1409 CA ASP A 91 1.583 -11.023 12.305 1.00 0.00 C ATOM 1410 C ASP A 91 2.534 -9.861 12.019 1.00 0.00 C ATOM 1411 O ASP A 91 2.427 -8.792 12.593 1.00 0.00 O ATOM 1412 CB ASP A 91 2.288 -12.056 13.187 1.00 0.00 C ATOM 1413 CG ASP A 91 1.271 -13.065 13.723 1.00 0.00 C ATOM 1414 OD1 ASP A 91 0.086 -12.800 13.614 1.00 0.00 O ATOM 1415 OD2 ASP A 91 1.697 -14.090 14.232 1.00 0.00 O ATOM 0 H ASP A 91 1.484 -12.632 10.910 1.00 0.00 H new ATOM 0 HA ASP A 91 0.698 -10.648 12.819 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.057 -12.572 12.613 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.790 -11.557 14.016 1.00 0.00 H new ATOM 1420 N ARG A 92 3.461 -10.066 11.124 1.00 0.00 N ATOM 1421 CA ARG A 92 4.430 -8.986 10.770 1.00 0.00 C ATOM 1422 C ARG A 92 3.673 -7.834 10.105 1.00 0.00 C ATOM 1423 O ARG A 92 3.932 -6.671 10.355 1.00 0.00 O ATOM 1424 CB ARG A 92 5.473 -9.543 9.797 1.00 0.00 C ATOM 1425 CG ARG A 92 6.525 -8.469 9.499 1.00 0.00 C ATOM 1426 CD ARG A 92 7.620 -9.048 8.594 1.00 0.00 C ATOM 1427 NE ARG A 92 7.042 -9.372 7.256 1.00 0.00 N ATOM 1428 CZ ARG A 92 7.756 -10.001 6.356 1.00 0.00 C ATOM 1429 NH1 ARG A 92 8.979 -10.377 6.623 1.00 0.00 N ATOM 1430 NH2 ARG A 92 7.240 -10.259 5.187 1.00 0.00 N ATOM 0 H ARG A 92 3.591 -10.942 10.618 1.00 0.00 H new ATOM 0 HA ARG A 92 4.929 -8.625 11.669 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.950 -10.425 10.225 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.990 -9.859 8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.056 -7.613 9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.963 -8.108 10.430 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.434 -8.331 8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.043 -9.945 9.046 1.00 0.00 H new ATOM 0 HE ARG A 92 6.082 -9.101 7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.384 -10.181 7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.528 -10.866 5.916 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.284 -9.971 4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.792 -10.749 4.483 1.00 0.00 H new ATOM 1444 N PHE A 93 2.740 -8.161 9.259 1.00 0.00 N ATOM 1445 CA PHE A 93 1.945 -7.113 8.558 1.00 0.00 C ATOM 1446 C PHE A 93 1.192 -6.272 9.595 1.00 0.00 C ATOM 1447 O PHE A 93 1.112 -5.060 9.499 1.00 0.00 O ATOM 1448 CB PHE A 93 0.942 -7.791 7.612 1.00 0.00 C ATOM 1449 CG PHE A 93 0.567 -6.841 6.500 1.00 0.00 C ATOM 1450 CD1 PHE A 93 1.499 -6.555 5.497 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -0.701 -6.246 6.469 1.00 0.00 C ATOM 1452 CE1 PHE A 93 1.168 -5.674 4.464 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -1.032 -5.364 5.434 1.00 0.00 C ATOM 1454 CZ PHE A 93 -0.096 -5.079 4.432 1.00 0.00 C ATOM 0 H PHE A 93 2.490 -9.120 9.019 1.00 0.00 H new ATOM 0 HA PHE A 93 2.607 -6.467 7.982 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.377 -8.699 7.196 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.051 -8.089 8.164 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.476 -7.016 5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.422 -6.468 7.242 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.889 -5.453 3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.009 -4.903 5.408 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.351 -4.398 3.633 1.00 0.00 H new ATOM 1464 N MET A 94 0.630 -6.918 10.577 1.00 0.00 N ATOM 1465 CA MET A 94 -0.129 -6.186 11.629 1.00 0.00 C ATOM 1466 C MET A 94 0.808 -5.225 12.364 1.00 0.00 C ATOM 1467 O MET A 94 0.458 -4.097 12.663 1.00 0.00 O ATOM 1468 CB MET A 94 -0.691 -7.207 12.623 1.00 0.00 C ATOM 1469 CG MET A 94 -1.902 -7.919 12.017 1.00 0.00 C ATOM 1470 SD MET A 94 -3.269 -6.746 11.825 1.00 0.00 S ATOM 1471 CE MET A 94 -3.589 -6.458 13.584 1.00 0.00 C ATOM 0 H MET A 94 0.664 -7.930 10.697 1.00 0.00 H new ATOM 0 HA MET A 94 -0.940 -5.617 11.175 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.077 -7.936 12.881 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.979 -6.706 13.547 1.00 0.00 H new ATOM 0 HG2 MET A 94 -1.638 -8.346 11.049 1.00 0.00 H new ATOM 0 HG3 MET A 94 -2.208 -8.746 12.658 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.664 -6.457 13.763 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.124 -7.249 14.173 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.172 -5.495 13.877 1.00 0.00 H new ATOM 1481 N ARG A 95 1.999 -5.664 12.650 1.00 0.00 N ATOM 1482 CA ARG A 95 2.979 -4.788 13.354 1.00 0.00 C ATOM 1483 C ARG A 95 3.329 -3.599 12.459 1.00 0.00 C ATOM 1484 O ARG A 95 3.471 -2.477 12.912 1.00 0.00 O ATOM 1485 CB ARG A 95 4.245 -5.591 13.654 1.00 0.00 C ATOM 1486 CG ARG A 95 5.222 -4.729 14.456 1.00 0.00 C ATOM 1487 CD ARG A 95 6.468 -5.550 14.787 1.00 0.00 C ATOM 1488 NE ARG A 95 7.354 -4.760 15.687 1.00 0.00 N ATOM 1489 CZ ARG A 95 8.602 -5.109 15.861 1.00 0.00 C ATOM 1490 NH1 ARG A 95 9.086 -6.157 15.250 1.00 0.00 N ATOM 1491 NH2 ARG A 95 9.365 -4.406 16.650 1.00 0.00 N ATOM 0 H ARG A 95 2.340 -6.599 12.426 1.00 0.00 H new ATOM 0 HA ARG A 95 2.546 -4.425 14.286 1.00 0.00 H new ATOM 0 HB2 ARG A 95 3.993 -6.491 14.215 1.00 0.00 H new ATOM 0 HB3 ARG A 95 4.711 -5.916 12.724 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.498 -3.844 13.883 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.748 -4.380 15.374 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.184 -6.486 15.268 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.000 -5.811 13.872 1.00 0.00 H new ATOM 0 HE ARG A 95 6.985 -3.941 16.171 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.490 -6.708 14.633 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.060 -6.424 15.390 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.988 -3.588 17.128 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.339 -4.674 16.789 1.00 0.00 H new ATOM 1505 N PHE A 96 3.474 -3.846 11.188 1.00 0.00 N ATOM 1506 CA PHE A 96 3.814 -2.752 10.236 1.00 0.00 C ATOM 1507 C PHE A 96 2.737 -1.665 10.295 1.00 0.00 C ATOM 1508 O PHE A 96 3.028 -0.484 10.318 1.00 0.00 O ATOM 1509 CB PHE A 96 3.884 -3.332 8.821 1.00 0.00 C ATOM 1510 CG PHE A 96 4.024 -2.218 7.810 1.00 0.00 C ATOM 1511 CD1 PHE A 96 2.884 -1.549 7.348 1.00 0.00 C ATOM 1512 CD2 PHE A 96 5.288 -1.853 7.336 1.00 0.00 C ATOM 1513 CE1 PHE A 96 3.008 -0.517 6.412 1.00 0.00 C ATOM 1514 CE2 PHE A 96 5.411 -0.821 6.398 1.00 0.00 C ATOM 1515 CZ PHE A 96 4.271 -0.153 5.940 1.00 0.00 C ATOM 0 H PHE A 96 3.371 -4.768 10.764 1.00 0.00 H new ATOM 0 HA PHE A 96 4.776 -2.314 10.504 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.730 -4.015 8.741 1.00 0.00 H new ATOM 0 HB3 PHE A 96 2.985 -3.912 8.612 1.00 0.00 H new ATOM 0 HD1 PHE A 96 1.908 -1.830 7.715 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.168 -2.367 7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 96 2.128 -0.002 6.055 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.386 -0.541 6.028 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.367 0.646 5.220 1.00 0.00 H new ATOM 1525 N MET A 97 1.494 -2.058 10.305 1.00 0.00 N ATOM 1526 CA MET A 97 0.393 -1.055 10.354 1.00 0.00 C ATOM 1527 C MET A 97 0.491 -0.233 11.642 1.00 0.00 C ATOM 1528 O MET A 97 0.342 0.976 11.636 1.00 0.00 O ATOM 1529 CB MET A 97 -0.950 -1.786 10.326 1.00 0.00 C ATOM 1530 CG MET A 97 -2.090 -0.766 10.313 1.00 0.00 C ATOM 1531 SD MET A 97 -3.671 -1.628 10.120 1.00 0.00 S ATOM 1532 CE MET A 97 -4.659 -0.552 11.190 1.00 0.00 C ATOM 0 H MET A 97 1.192 -3.032 10.281 1.00 0.00 H new ATOM 0 HA MET A 97 0.475 -0.388 9.496 1.00 0.00 H new ATOM 0 HB2 MET A 97 -1.010 -2.424 9.444 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.040 -2.436 11.197 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.088 -0.191 11.239 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.948 -0.057 9.497 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.688 -0.909 11.215 1.00 0.00 H new ATOM 0 HE2 MET A 97 -4.246 -0.564 12.199 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.638 0.466 10.802 1.00 0.00 H new ATOM 1542 N GLU A 98 0.736 -0.881 12.748 1.00 0.00 N ATOM 1543 CA GLU A 98 0.842 -0.142 14.039 1.00 0.00 C ATOM 1544 C GLU A 98 2.124 0.695 14.049 1.00 0.00 C ATOM 1545 O GLU A 98 2.133 1.839 14.464 1.00 0.00 O ATOM 1546 CB GLU A 98 0.884 -1.145 15.197 1.00 0.00 C ATOM 1547 CG GLU A 98 0.919 -0.386 16.526 1.00 0.00 C ATOM 1548 CD GLU A 98 0.879 -1.374 17.694 1.00 0.00 C ATOM 1549 OE1 GLU A 98 0.552 -2.526 17.461 1.00 0.00 O ATOM 1550 OE2 GLU A 98 1.171 -0.960 18.804 1.00 0.00 O ATOM 0 H GLU A 98 0.867 -1.890 12.814 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.021 0.514 14.152 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.011 -1.796 15.160 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.762 -1.784 15.107 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.822 0.222 16.584 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.071 0.296 16.587 1.00 0.00 H new ATOM 1557 N ARG A 99 3.207 0.128 13.597 1.00 0.00 N ATOM 1558 CA ARG A 99 4.495 0.880 13.582 1.00 0.00 C ATOM 1559 C ARG A 99 4.396 2.043 12.594 1.00 0.00 C ATOM 1560 O ARG A 99 4.847 3.143 12.857 1.00 0.00 O ATOM 1561 CB ARG A 99 5.624 -0.059 13.142 1.00 0.00 C ATOM 1562 CG ARG A 99 6.993 0.624 13.333 1.00 0.00 C ATOM 1563 CD ARG A 99 7.496 0.395 14.764 1.00 0.00 C ATOM 1564 NE ARG A 99 8.763 1.145 14.973 1.00 0.00 N ATOM 1565 CZ ARG A 99 9.405 1.052 16.107 1.00 0.00 C ATOM 1566 NH1 ARG A 99 8.940 0.300 17.070 1.00 0.00 N ATOM 1567 NH2 ARG A 99 10.509 1.720 16.280 1.00 0.00 N ATOM 0 H ARG A 99 3.257 -0.825 13.237 1.00 0.00 H new ATOM 0 HA ARG A 99 4.702 1.265 14.580 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.586 -0.981 13.722 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.490 -0.335 12.096 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.712 0.224 12.617 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.907 1.692 13.135 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.744 0.724 15.482 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.658 -0.669 14.937 1.00 0.00 H new ATOM 0 HE ARG A 99 9.133 1.735 14.227 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.071 -0.218 16.938 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.446 0.231 17.953 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.869 2.313 15.532 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.014 1.651 17.164 1.00 0.00 H new ATOM 1581 N TYR A 100 3.812 1.803 11.454 1.00 0.00 N ATOM 1582 CA TYR A 100 3.676 2.879 10.433 1.00 0.00 C ATOM 1583 C TYR A 100 2.845 4.032 11.001 1.00 0.00 C ATOM 1584 O TYR A 100 3.165 5.194 10.826 1.00 0.00 O ATOM 1585 CB TYR A 100 2.976 2.311 9.195 1.00 0.00 C ATOM 1586 CG TYR A 100 2.746 3.420 8.196 1.00 0.00 C ATOM 1587 CD1 TYR A 100 3.816 3.910 7.440 1.00 0.00 C ATOM 1588 CD2 TYR A 100 1.465 3.963 8.031 1.00 0.00 C ATOM 1589 CE1 TYR A 100 3.606 4.941 6.518 1.00 0.00 C ATOM 1590 CE2 TYR A 100 1.256 4.993 7.108 1.00 0.00 C ATOM 1591 CZ TYR A 100 2.327 5.481 6.353 1.00 0.00 C ATOM 1592 OH TYR A 100 2.122 6.496 5.444 1.00 0.00 O ATOM 0 H TYR A 100 3.420 0.901 11.184 1.00 0.00 H new ATOM 0 HA TYR A 100 4.665 3.249 10.163 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.584 1.525 8.748 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.026 1.858 9.477 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.804 3.493 7.568 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.639 3.586 8.616 1.00 0.00 H new ATOM 0 HE1 TYR A 100 4.432 5.320 5.934 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.269 5.411 6.979 1.00 0.00 H new ATOM 0 HH TYR A 100 2.682 6.345 4.654 1.00 0.00 H new ATOM 1602 N GLY A 101 1.773 3.716 11.670 1.00 0.00 N ATOM 1603 CA GLY A 101 0.904 4.780 12.248 1.00 0.00 C ATOM 1604 C GLY A 101 1.686 5.592 13.284 1.00 0.00 C ATOM 1605 O GLY A 101 1.520 6.793 13.405 1.00 0.00 O ATOM 0 H GLY A 101 1.459 2.761 11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.544 5.437 11.456 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.026 4.331 12.713 1.00 0.00 H new ATOM 1609 N ALA A 102 2.535 4.945 14.030 1.00 0.00 N ATOM 1610 CA ALA A 102 3.332 5.667 15.063 1.00 0.00 C ATOM 1611 C ALA A 102 4.255 6.687 14.389 1.00 0.00 C ATOM 1612 O ALA A 102 4.422 7.799 14.857 1.00 0.00 O ATOM 1613 CB ALA A 102 4.184 4.655 15.829 1.00 0.00 C ATOM 0 H ALA A 102 2.713 3.943 13.970 1.00 0.00 H new ATOM 0 HA ALA A 102 2.657 6.185 15.744 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.771 5.173 16.587 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.535 3.923 16.310 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.854 4.146 15.137 1.00 0.00 H new ATOM 1619 N GLU A 103 4.859 6.312 13.296 1.00 0.00 N ATOM 1620 CA GLU A 103 5.775 7.247 12.586 1.00 0.00 C ATOM 1621 C GLU A 103 4.966 8.361 11.921 1.00 0.00 C ATOM 1622 O GLU A 103 5.391 9.501 11.865 1.00 0.00 O ATOM 1623 CB GLU A 103 6.549 6.479 11.513 1.00 0.00 C ATOM 1624 CG GLU A 103 7.440 5.424 12.172 1.00 0.00 C ATOM 1625 CD GLU A 103 8.510 6.110 13.022 1.00 0.00 C ATOM 1626 OE1 GLU A 103 8.758 7.283 12.793 1.00 0.00 O ATOM 1627 OE2 GLU A 103 9.064 5.451 13.888 1.00 0.00 O ATOM 0 H GLU A 103 4.757 5.394 12.862 1.00 0.00 H new ATOM 0 HA GLU A 103 6.470 7.684 13.304 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.854 6.001 10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.158 7.168 10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.837 4.762 12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.910 4.804 11.409 1.00 0.00 H new ATOM 1634 N ASN A 104 3.807 8.035 11.402 1.00 0.00 N ATOM 1635 CA ASN A 104 2.955 9.060 10.716 1.00 0.00 C ATOM 1636 C ASN A 104 1.615 9.199 11.445 1.00 0.00 C ATOM 1637 O ASN A 104 1.560 9.358 12.650 1.00 0.00 O ATOM 1638 CB ASN A 104 2.699 8.619 9.273 1.00 0.00 C ATOM 1639 CG ASN A 104 4.018 8.580 8.505 1.00 0.00 C ATOM 1640 OD1 ASN A 104 4.894 9.389 8.733 1.00 0.00 O ATOM 1641 ND2 ASN A 104 4.197 7.665 7.591 1.00 0.00 N ATOM 0 H ASN A 104 3.411 7.095 11.424 1.00 0.00 H new ATOM 0 HA ASN A 104 3.471 10.020 10.726 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.231 7.635 9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.006 9.308 8.790 1.00 0.00 H new ATOM 0 HD21 ASN A 104 5.073 7.630 7.069 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.461 6.985 7.399 1.00 0.00 H new ATOM 1648 N GLY A 105 0.530 9.153 10.713 1.00 0.00 N ATOM 1649 CA GLY A 105 -0.809 9.287 11.345 1.00 0.00 C ATOM 1650 C GLY A 105 -1.890 8.870 10.348 1.00 0.00 C ATOM 1651 O GLY A 105 -1.965 9.376 9.242 1.00 0.00 O ATOM 0 H GLY A 105 0.519 9.028 9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.865 8.665 12.238 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.971 10.317 11.663 1.00 0.00 H new ATOM 1655 N LEU A 106 -2.730 7.948 10.737 1.00 0.00 N ATOM 1656 CA LEU A 106 -3.809 7.472 9.828 1.00 0.00 C ATOM 1657 C LEU A 106 -5.039 8.371 9.955 1.00 0.00 C ATOM 1658 O LEU A 106 -5.433 8.767 11.037 1.00 0.00 O ATOM 1659 CB LEU A 106 -4.182 6.037 10.204 1.00 0.00 C ATOM 1660 CG LEU A 106 -3.138 5.062 9.638 1.00 0.00 C ATOM 1661 CD1 LEU A 106 -3.211 5.020 8.095 1.00 0.00 C ATOM 1662 CD2 LEU A 106 -1.737 5.503 10.078 1.00 0.00 C ATOM 0 H LEU A 106 -2.713 7.502 11.654 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.454 7.505 8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.235 5.938 11.288 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.170 5.794 9.813 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.347 4.063 10.021 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.464 4.324 7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.203 4.692 7.787 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.017 6.015 7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.995 4.812 9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.537 6.507 9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.681 5.504 11.167 1.00 0.00 H new ATOM 1674 N GLY A 107 -5.640 8.696 8.842 1.00 0.00 N ATOM 1675 CA GLY A 107 -6.841 9.572 8.857 1.00 0.00 C ATOM 1676 C GLY A 107 -6.401 11.033 8.945 1.00 0.00 C ATOM 1677 O GLY A 107 -7.217 11.935 9.013 1.00 0.00 O ATOM 0 H GLY A 107 -5.345 8.388 7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.433 9.412 7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.478 9.321 9.705 1.00 0.00 H new ATOM 1681 N PHE A 108 -5.113 11.273 8.947 1.00 0.00 N ATOM 1682 CA PHE A 108 -4.599 12.675 9.034 1.00 0.00 C ATOM 1683 C PHE A 108 -4.136 13.149 7.654 1.00 0.00 C ATOM 1684 O PHE A 108 -3.537 12.411 6.893 1.00 0.00 O ATOM 1685 CB PHE A 108 -3.429 12.721 10.018 1.00 0.00 C ATOM 1686 CG PHE A 108 -3.958 12.616 11.431 1.00 0.00 C ATOM 1687 CD1 PHE A 108 -4.315 13.776 12.128 1.00 0.00 C ATOM 1688 CD2 PHE A 108 -4.093 11.362 12.038 1.00 0.00 C ATOM 1689 CE1 PHE A 108 -4.808 13.682 13.436 1.00 0.00 C ATOM 1690 CE2 PHE A 108 -4.586 11.269 13.347 1.00 0.00 C ATOM 1691 CZ PHE A 108 -4.943 12.428 14.045 1.00 0.00 C ATOM 0 H PHE A 108 -4.392 10.554 8.892 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.396 13.333 9.382 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.736 11.904 9.815 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.872 13.649 9.894 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.211 14.743 11.658 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.818 10.468 11.499 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.084 14.576 13.975 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.690 10.302 13.817 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.323 12.356 15.053 1.00 0.00 H new ATOM 1701 N SER A 109 -4.416 14.385 7.332 1.00 0.00 N ATOM 1702 CA SER A 109 -4.015 14.932 6.005 1.00 0.00 C ATOM 1703 C SER A 109 -2.531 15.298 5.999 1.00 0.00 C ATOM 1704 O SER A 109 -1.885 15.379 7.029 1.00 0.00 O ATOM 1705 CB SER A 109 -4.849 16.173 5.689 1.00 0.00 C ATOM 1706 OG SER A 109 -4.533 17.204 6.615 1.00 0.00 O ATOM 0 H SER A 109 -4.909 15.042 7.937 1.00 0.00 H new ATOM 0 HA SER A 109 -4.189 14.169 5.247 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.649 16.509 4.672 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.911 15.934 5.743 1.00 0.00 H new ATOM 0 HG SER A 109 -5.066 18.001 6.412 1.00 0.00 H new ATOM 1712 N LYS A 110 -1.991 15.516 4.830 1.00 0.00 N ATOM 1713 CA LYS A 110 -0.550 15.868 4.711 1.00 0.00 C ATOM 1714 C LYS A 110 -0.250 17.157 5.488 1.00 0.00 C ATOM 1715 O LYS A 110 -0.912 18.166 5.331 1.00 0.00 O ATOM 1716 CB LYS A 110 -0.209 16.067 3.232 1.00 0.00 C ATOM 1717 CG LYS A 110 -0.330 14.728 2.497 1.00 0.00 C ATOM 1718 CD LYS A 110 0.000 14.925 1.013 1.00 0.00 C ATOM 1719 CE LYS A 110 -0.225 13.612 0.256 1.00 0.00 C ATOM 1720 NZ LYS A 110 0.660 12.553 0.818 1.00 0.00 N ATOM 0 H LYS A 110 -2.494 15.464 3.944 1.00 0.00 H new ATOM 0 HA LYS A 110 0.054 15.062 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.882 16.800 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.803 16.460 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.349 13.997 2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.339 14.332 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.627 15.711 0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.035 15.248 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.269 13.308 0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.014 13.751 -0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.121 12.037 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.385 12.991 1.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.092 11.891 1.384 1.00 0.00 H new ATOM 1734 N SER A 111 0.757 17.118 6.322 1.00 0.00 N ATOM 1735 CA SER A 111 1.130 18.324 7.118 1.00 0.00 C ATOM 1736 C SER A 111 2.440 18.062 7.869 1.00 0.00 C ATOM 1737 O SER A 111 3.519 18.130 7.308 1.00 0.00 O ATOM 1738 CB SER A 111 0.025 18.645 8.125 1.00 0.00 C ATOM 1739 OG SER A 111 -1.061 19.268 7.453 1.00 0.00 O ATOM 0 H SER A 111 1.340 16.297 6.486 1.00 0.00 H new ATOM 0 HA SER A 111 1.259 19.169 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.312 17.731 8.615 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.409 19.302 8.905 1.00 0.00 H new ATOM 0 HG SER A 111 -0.947 19.169 6.485 1.00 0.00 H new ATOM 1745 N GLU A 112 2.348 17.763 9.143 1.00 0.00 N ATOM 1746 CA GLU A 112 3.578 17.495 9.948 1.00 0.00 C ATOM 1747 C GLU A 112 4.101 16.092 9.631 1.00 0.00 C ATOM 1748 O GLU A 112 5.191 15.714 10.019 1.00 0.00 O ATOM 1749 CB GLU A 112 3.236 17.598 11.442 1.00 0.00 C ATOM 1750 CG GLU A 112 2.194 16.534 11.812 1.00 0.00 C ATOM 1751 CD GLU A 112 1.786 16.696 13.281 1.00 0.00 C ATOM 1752 OE1 GLU A 112 1.156 17.694 13.594 1.00 0.00 O ATOM 1753 OE2 GLU A 112 2.110 15.822 14.066 1.00 0.00 O ATOM 0 H GLU A 112 1.471 17.693 9.659 1.00 0.00 H new ATOM 0 HA GLU A 112 4.347 18.227 9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.137 17.462 12.041 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.850 18.592 11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.319 16.630 11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.604 15.538 11.646 1.00 0.00 H new ATOM 1760 N LEU A 113 3.323 15.323 8.923 1.00 0.00 N ATOM 1761 CA LEU A 113 3.750 13.943 8.561 1.00 0.00 C ATOM 1762 C LEU A 113 4.971 14.015 7.638 1.00 0.00 C ATOM 1763 O LEU A 113 5.888 13.220 7.730 1.00 0.00 O ATOM 1764 CB LEU A 113 2.601 13.244 7.828 1.00 0.00 C ATOM 1765 CG LEU A 113 1.310 13.361 8.647 1.00 0.00 C ATOM 1766 CD1 LEU A 113 0.154 12.707 7.881 1.00 0.00 C ATOM 1767 CD2 LEU A 113 1.491 12.657 10.000 1.00 0.00 C ATOM 0 H LEU A 113 2.402 15.593 8.577 1.00 0.00 H new ATOM 0 HA LEU A 113 4.008 13.387 9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.460 13.692 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.846 12.194 7.668 1.00 0.00 H new ATOM 0 HG LEU A 113 1.084 14.414 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.763 12.791 8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.022 13.210 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.380 11.654 7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.572 12.742 10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.720 11.604 9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.310 13.125 10.547 1.00 0.00 H new ATOM 1779 N GLU A 114 4.978 14.964 6.744 1.00 0.00 N ATOM 1780 CA GLU A 114 6.123 15.106 5.799 1.00 0.00 C ATOM 1781 C GLU A 114 7.433 15.269 6.577 1.00 0.00 C ATOM 1782 O GLU A 114 7.919 14.345 7.204 1.00 0.00 O ATOM 1783 CB GLU A 114 5.904 16.346 4.925 1.00 0.00 C ATOM 1784 CG GLU A 114 4.665 16.161 4.054 1.00 0.00 C ATOM 1785 CD GLU A 114 4.904 15.029 3.055 1.00 0.00 C ATOM 1786 OE1 GLU A 114 6.056 14.702 2.828 1.00 0.00 O ATOM 1787 OE2 GLU A 114 3.932 14.508 2.537 1.00 0.00 O ATOM 0 H GLU A 114 4.235 15.653 6.626 1.00 0.00 H new ATOM 0 HA GLU A 114 6.184 14.213 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.787 17.228 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.778 16.516 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.801 15.933 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.440 17.086 3.523 1.00 0.00 H new ATOM 1794 N HIS A 115 8.019 16.438 6.526 1.00 0.00 N ATOM 1795 CA HIS A 115 9.300 16.664 7.249 1.00 0.00 C ATOM 1796 C HIS A 115 9.469 18.151 7.565 1.00 0.00 C ATOM 1797 O HIS A 115 8.965 19.012 6.866 1.00 0.00 O ATOM 1798 CB HIS A 115 10.469 16.190 6.382 1.00 0.00 C ATOM 1799 CG HIS A 115 10.465 16.918 5.063 1.00 0.00 C ATOM 1800 ND1 HIS A 115 9.537 16.649 4.067 1.00 0.00 N ATOM 1801 CD2 HIS A 115 11.284 17.897 4.554 1.00 0.00 C ATOM 1802 CE1 HIS A 115 9.818 17.450 3.022 1.00 0.00 C ATOM 1803 NE2 HIS A 115 10.874 18.231 3.267 1.00 0.00 N ATOM 0 H HIS A 115 7.663 17.245 6.013 1.00 0.00 H new ATOM 0 HA HIS A 115 9.285 16.101 8.182 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.411 16.367 6.901 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.394 15.116 6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.120 18.340 5.075 1.00 0.00 H new ATOM 0 HE1 HIS A 115 9.258 17.460 2.098 1.00 0.00 H new ATOM 0 HE2 HIS A 115 11.290 18.923 2.644 1.00 0.00 H new ATOM 1811 N HIS A 116 10.182 18.455 8.622 1.00 0.00 N ATOM 1812 CA HIS A 116 10.397 19.881 9.010 1.00 0.00 C ATOM 1813 C HIS A 116 11.823 20.074 9.533 1.00 0.00 C ATOM 1814 O HIS A 116 12.432 19.169 10.077 1.00 0.00 O ATOM 1815 CB HIS A 116 9.394 20.273 10.094 1.00 0.00 C ATOM 1816 CG HIS A 116 8.012 20.274 9.509 1.00 0.00 C ATOM 1817 ND1 HIS A 116 7.527 21.340 8.769 1.00 0.00 N ATOM 1818 CD2 HIS A 116 6.996 19.349 9.542 1.00 0.00 C ATOM 1819 CE1 HIS A 116 6.273 21.036 8.391 1.00 0.00 C ATOM 1820 NE2 HIS A 116 5.899 19.834 8.835 1.00 0.00 N ATOM 0 H HIS A 116 10.626 17.771 9.235 1.00 0.00 H new ATOM 0 HA HIS A 116 10.252 20.514 8.135 1.00 0.00 H new ATOM 0 HB2 HIS A 116 9.449 19.573 10.928 1.00 0.00 H new ATOM 0 HB3 HIS A 116 9.635 21.259 10.490 1.00 0.00 H new ATOM 0 HD1 HIS A 116 8.030 22.200 8.550 1.00 0.00 H new ATOM 0 HD2 HIS A 116 7.042 18.392 10.040 1.00 0.00 H new ATOM 0 HE1 HIS A 116 5.645 21.686 7.800 1.00 0.00 H new ATOM 1828 N HIS A 117 12.352 21.258 9.372 1.00 0.00 N ATOM 1829 CA HIS A 117 13.735 21.552 9.847 1.00 0.00 C ATOM 1830 C HIS A 117 13.739 21.686 11.377 1.00 0.00 C ATOM 1831 O HIS A 117 14.780 21.789 12.000 1.00 0.00 O ATOM 1832 CB HIS A 117 14.206 22.861 9.201 1.00 0.00 C ATOM 1833 CG HIS A 117 15.516 23.285 9.803 1.00 0.00 C ATOM 1834 ND1 HIS A 117 16.713 22.674 9.470 1.00 0.00 N ATOM 1835 CD2 HIS A 117 15.833 24.255 10.722 1.00 0.00 C ATOM 1836 CE1 HIS A 117 17.686 23.274 10.176 1.00 0.00 C ATOM 1837 NE2 HIS A 117 17.205 24.245 10.955 1.00 0.00 N ATOM 0 H HIS A 117 11.878 22.043 8.926 1.00 0.00 H new ATOM 0 HA HIS A 117 14.408 20.742 9.567 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.317 22.727 8.125 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.458 23.640 9.350 1.00 0.00 H new ATOM 0 HD2 HIS A 117 15.126 24.923 11.192 1.00 0.00 H new ATOM 0 HE1 HIS A 117 18.730 23.003 10.120 1.00 0.00 H new ATOM 0 HE2 HIS A 117 17.730 24.850 11.586 1.00 0.00 H new ATOM 1845 N HIS A 118 12.577 21.679 11.979 1.00 0.00 N ATOM 1846 CA HIS A 118 12.485 21.798 13.469 1.00 0.00 C ATOM 1847 C HIS A 118 13.482 22.841 13.989 1.00 0.00 C ATOM 1848 O HIS A 118 13.400 24.014 13.678 1.00 0.00 O ATOM 1849 CB HIS A 118 12.803 20.444 14.111 1.00 0.00 C ATOM 1850 CG HIS A 118 11.696 19.475 13.823 1.00 0.00 C ATOM 1851 ND1 HIS A 118 11.700 18.663 12.701 1.00 0.00 N ATOM 1852 CD2 HIS A 118 10.541 19.178 14.499 1.00 0.00 C ATOM 1853 CE1 HIS A 118 10.580 17.922 12.733 1.00 0.00 C ATOM 1854 NE2 HIS A 118 9.836 18.195 13.810 1.00 0.00 N ATOM 0 H HIS A 118 11.680 21.595 11.500 1.00 0.00 H new ATOM 0 HA HIS A 118 11.474 22.110 13.730 1.00 0.00 H new ATOM 0 HB2 HIS A 118 13.746 20.059 13.723 1.00 0.00 H new ATOM 0 HB3 HIS A 118 12.926 20.561 15.188 1.00 0.00 H new ATOM 0 HD1 HIS A 118 12.422 18.633 11.981 1.00 0.00 H new ATOM 0 HD2 HIS A 118 10.226 19.637 15.425 1.00 0.00 H new ATOM 0 HE1 HIS A 118 10.313 17.195 11.981 1.00 0.00 H new ATOM 1862 N HIS A 119 14.418 22.414 14.794 1.00 0.00 N ATOM 1863 CA HIS A 119 15.418 23.358 15.349 1.00 0.00 C ATOM 1864 C HIS A 119 16.588 22.563 15.933 1.00 0.00 C ATOM 1865 O HIS A 119 16.512 22.034 17.029 1.00 0.00 O ATOM 1866 CB HIS A 119 14.757 24.208 16.438 1.00 0.00 C ATOM 1867 CG HIS A 119 15.782 25.107 17.069 1.00 0.00 C ATOM 1868 ND1 HIS A 119 16.307 26.206 16.410 1.00 0.00 N ATOM 1869 CD2 HIS A 119 16.386 25.082 18.302 1.00 0.00 C ATOM 1870 CE1 HIS A 119 17.185 26.794 17.242 1.00 0.00 C ATOM 1871 NE2 HIS A 119 17.271 26.150 18.408 1.00 0.00 N ATOM 0 H HIS A 119 14.529 21.444 15.090 1.00 0.00 H new ATOM 0 HA HIS A 119 15.791 24.015 14.564 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.951 24.804 16.009 1.00 0.00 H new ATOM 0 HB3 HIS A 119 14.309 23.564 17.194 1.00 0.00 H new ATOM 0 HD2 HIS A 119 16.202 24.346 19.071 1.00 0.00 H new ATOM 0 HE1 HIS A 119 17.752 27.680 16.996 1.00 0.00 H new ATOM 0 HE2 HIS A 119 17.860 26.390 19.206 1.00 0.00 H new ATOM 1879 N HIS A 120 17.670 22.480 15.197 1.00 0.00 N ATOM 1880 CA HIS A 120 18.876 21.727 15.666 1.00 0.00 C ATOM 1881 C HIS A 120 18.465 20.451 16.409 1.00 0.00 C ATOM 1882 O HIS A 120 18.400 20.488 17.626 1.00 0.00 O ATOM 1883 CB HIS A 120 19.706 22.625 16.587 1.00 0.00 C ATOM 1884 CG HIS A 120 20.276 23.771 15.788 1.00 0.00 C ATOM 1885 ND1 HIS A 120 21.005 24.795 16.374 1.00 0.00 N ATOM 1886 CD2 HIS A 120 20.231 24.069 14.446 1.00 0.00 C ATOM 1887 CE1 HIS A 120 21.365 25.650 15.399 1.00 0.00 C ATOM 1888 NE2 HIS A 120 20.918 25.255 14.204 1.00 0.00 N ATOM 1889 OXT HIS A 120 18.228 19.453 15.745 1.00 0.00 O ATOM 0 H HIS A 120 17.770 22.909 14.277 1.00 0.00 H new ATOM 0 HA HIS A 120 19.472 21.439 14.800 1.00 0.00 H new ATOM 0 HB2 HIS A 120 19.085 23.006 17.398 1.00 0.00 H new ATOM 0 HB3 HIS A 120 20.511 22.050 17.045 1.00 0.00 H new ATOM 0 HD2 HIS A 120 19.737 23.472 13.693 1.00 0.00 H new ATOM 0 HE1 HIS A 120 21.945 26.546 15.563 1.00 0.00 H new ATOM 0 HE2 HIS A 120 21.051 25.722 13.307 1.00 0.00 H new TER 1897 HIS A 120