USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 900 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 83 LYS NZ :NH3+ -121:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 20 LYS NZ :NH3+ -104:sc= 0.293 (180deg=-0.0573) USER MOD Set 2.3: A 102 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0634 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.206 USER MOD Single : A 9 SER OG : rot -106:sc= 0.322 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00772 USER MOD Single : A 18 HIS :FLIP no HE2:sc= -0.429 F(o=-1.2,f=-0.43) USER MOD Single : A 30 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.25) USER MOD Single : A 32 ASN : amide:sc=-0.00194 X(o=-0.0019,f=0) USER MOD Single : A 33 GLN : amide:sc= -1.85 X(o=-1.9,f=-2.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.3) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -91:sc= 0.979 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= -0.0532 (180deg=-0.271) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 68 TYR OH : rot -115:sc= -0.0348 USER MOD Single : A 69 GLN : amide:sc= -0.0698 K(o=-0.07,f=-1.1) USER MOD Single : A 73 GLN : amide:sc= 0.011 X(o=0.011,f=-0.1) USER MOD Single : A 75 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -103:sc= -3.16! (180deg=-5.84!) USER MOD Single : A 91 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.3!) USER MOD Single : A 93 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.034) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0.0032) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.511 23.998 16.864 1.00 0.00 N ATOM 2 CA GLY A 1 15.824 22.836 16.237 1.00 0.00 C ATOM 3 C GLY A 1 15.745 21.639 17.164 1.00 0.00 C ATOM 4 O GLY A 1 16.727 20.919 17.345 1.00 0.00 O ATOM 0 H1 GLY A 1 16.539 24.790 16.190 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.993 24.288 17.718 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.482 23.729 17.123 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.817 23.130 15.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.353 22.553 15.327 1.00 0.00 H new ATOM 10 N SER A 2 14.572 21.425 17.752 1.00 0.00 N ATOM 11 CA SER A 2 14.368 20.307 18.666 1.00 0.00 C ATOM 12 C SER A 2 14.189 19.003 17.897 1.00 0.00 C ATOM 13 O SER A 2 14.218 18.986 16.666 1.00 0.00 O ATOM 14 CB SER A 2 13.148 20.561 19.552 1.00 0.00 C ATOM 15 OG SER A 2 12.167 21.320 18.865 1.00 0.00 O ATOM 0 H SER A 2 13.749 22.011 17.612 1.00 0.00 H new ATOM 0 HA SER A 2 15.253 20.219 19.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.720 19.610 19.869 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.454 21.089 20.455 1.00 0.00 H new ATOM 0 HG SER A 2 11.397 21.467 19.453 1.00 0.00 H new ATOM 21 N SER A 3 14.003 17.910 18.630 1.00 0.00 N ATOM 22 CA SER A 3 13.819 16.600 18.017 1.00 0.00 C ATOM 23 C SER A 3 12.367 16.145 18.130 1.00 0.00 C ATOM 24 O SER A 3 11.688 16.443 19.113 1.00 0.00 O ATOM 25 CB SER A 3 14.740 15.571 18.675 1.00 0.00 C ATOM 26 OG SER A 3 14.295 15.250 19.982 1.00 0.00 O ATOM 0 H SER A 3 13.976 17.906 19.650 1.00 0.00 H new ATOM 0 HA SER A 3 14.074 16.683 16.961 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.774 14.667 18.067 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.756 15.963 18.719 1.00 0.00 H new ATOM 0 HG SER A 3 14.899 14.589 20.380 1.00 0.00 H new ATOM 32 N GLY A 4 11.897 15.425 17.117 1.00 0.00 N ATOM 33 CA GLY A 4 10.529 14.942 17.121 1.00 0.00 C ATOM 34 C GLY A 4 9.975 14.756 15.723 1.00 0.00 C ATOM 35 O GLY A 4 9.048 15.456 15.317 1.00 0.00 O ATOM 0 H GLY A 4 12.440 15.167 16.293 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.484 13.993 17.655 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.900 15.646 17.667 1.00 0.00 H new ATOM 39 N SER A 5 10.546 13.810 14.983 1.00 0.00 N ATOM 40 CA SER A 5 10.103 13.535 13.621 1.00 0.00 C ATOM 41 C SER A 5 8.892 12.609 13.619 1.00 0.00 C ATOM 42 O SER A 5 8.609 11.937 14.612 1.00 0.00 O ATOM 43 CB SER A 5 11.239 12.909 12.811 1.00 0.00 C ATOM 44 OG SER A 5 12.488 13.488 13.150 1.00 0.00 O ATOM 0 H SER A 5 11.315 13.222 15.304 1.00 0.00 H new ATOM 0 HA SER A 5 9.815 14.480 13.161 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.271 11.835 12.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.049 13.045 11.746 1.00 0.00 H new ATOM 0 HG SER A 5 13.198 13.069 12.619 1.00 0.00 H new ATOM 50 N SER A 6 8.180 12.576 12.497 1.00 0.00 N ATOM 51 CA SER A 6 7.000 11.731 12.365 1.00 0.00 C ATOM 52 C SER A 6 7.364 10.379 11.760 1.00 0.00 C ATOM 53 O SER A 6 6.985 9.331 12.283 1.00 0.00 O ATOM 54 CB SER A 6 5.946 12.423 11.498 1.00 0.00 C ATOM 55 OG SER A 6 6.379 12.526 10.153 1.00 0.00 O ATOM 0 H SER A 6 8.400 13.125 11.666 1.00 0.00 H new ATOM 0 HA SER A 6 6.590 11.565 13.361 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.011 11.864 11.541 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.741 13.417 11.894 1.00 0.00 H new ATOM 0 HG SER A 6 5.687 12.970 9.620 1.00 0.00 H new ATOM 61 N GLY A 7 8.101 10.411 10.654 1.00 0.00 N ATOM 62 CA GLY A 7 8.505 9.183 9.997 1.00 0.00 C ATOM 63 C GLY A 7 7.657 8.869 8.780 1.00 0.00 C ATOM 64 O GLY A 7 6.912 7.889 8.771 1.00 0.00 O ATOM 0 H GLY A 7 8.425 11.266 10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.550 9.262 9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.438 8.357 10.705 1.00 0.00 H new ATOM 68 N ILE A 8 7.769 9.703 7.752 1.00 0.00 N ATOM 69 CA ILE A 8 7.007 9.511 6.525 1.00 0.00 C ATOM 70 C ILE A 8 7.537 8.322 5.729 1.00 0.00 C ATOM 71 O ILE A 8 8.723 7.996 5.798 1.00 0.00 O ATOM 72 CB ILE A 8 7.048 10.768 5.636 1.00 0.00 C ATOM 73 CG1 ILE A 8 6.686 12.009 6.453 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.106 10.613 4.451 1.00 0.00 C ATOM 75 CD1 ILE A 8 7.890 12.760 6.979 1.00 0.00 C ATOM 0 H ILE A 8 8.381 10.519 7.745 1.00 0.00 H new ATOM 0 HA ILE A 8 5.976 9.317 6.820 1.00 0.00 H new ATOM 0 HB ILE A 8 8.061 10.890 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.091 12.681 5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.059 11.711 7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.148 11.510 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.407 9.750 3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.088 10.468 4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.557 13.628 7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.474 12.104 7.625 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.507 13.090 6.143 1.00 0.00 H new ATOM 87 N SER A 9 6.652 7.679 4.977 1.00 0.00 N ATOM 88 CA SER A 9 7.032 6.526 4.166 1.00 0.00 C ATOM 89 C SER A 9 7.539 5.387 5.046 1.00 0.00 C ATOM 90 O SER A 9 8.568 5.513 5.711 1.00 0.00 O ATOM 91 CB SER A 9 8.106 6.919 3.151 1.00 0.00 C ATOM 92 OG SER A 9 7.525 7.306 1.918 1.00 0.00 O ATOM 0 H SER A 9 5.667 7.935 4.911 1.00 0.00 H new ATOM 0 HA SER A 9 6.147 6.183 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.704 7.739 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.783 6.080 2.990 1.00 0.00 H new ATOM 0 HG SER A 9 7.670 6.602 1.252 1.00 0.00 H new ATOM 98 N LEU A 10 6.811 4.275 5.042 1.00 0.00 N ATOM 99 CA LEU A 10 7.186 3.112 5.837 1.00 0.00 C ATOM 100 C LEU A 10 8.103 2.185 5.046 1.00 0.00 C ATOM 101 O LEU A 10 7.785 1.793 3.923 1.00 0.00 O ATOM 102 CB LEU A 10 5.937 2.352 6.288 1.00 0.00 C ATOM 103 CG LEU A 10 5.338 2.817 7.618 1.00 0.00 C ATOM 104 CD1 LEU A 10 3.824 2.910 7.520 1.00 0.00 C ATOM 105 CD2 LEU A 10 5.746 1.879 8.744 1.00 0.00 C ATOM 0 H LEU A 10 5.957 4.155 4.497 1.00 0.00 H new ATOM 0 HA LEU A 10 7.726 3.463 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.176 2.443 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.184 1.294 6.369 1.00 0.00 H new ATOM 0 HG LEU A 10 5.727 3.810 7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.417 3.242 8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.553 3.624 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.415 1.931 7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.311 2.225 9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.387 0.873 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.832 1.866 8.831 1.00 0.00 H new ATOM 117 N LYS A 11 9.244 1.842 5.635 1.00 0.00 N ATOM 118 CA LYS A 11 10.207 0.962 4.983 1.00 0.00 C ATOM 119 C LYS A 11 10.272 -0.391 5.685 1.00 0.00 C ATOM 120 O LYS A 11 10.741 -0.491 6.819 1.00 0.00 O ATOM 121 CB LYS A 11 11.592 1.611 4.968 1.00 0.00 C ATOM 122 CG LYS A 11 12.355 1.389 3.672 1.00 0.00 C ATOM 123 CD LYS A 11 12.289 2.611 2.770 1.00 0.00 C ATOM 124 CE LYS A 11 13.443 3.564 3.039 1.00 0.00 C ATOM 125 NZ LYS A 11 13.069 4.980 2.768 1.00 0.00 N ATOM 0 H LYS A 11 9.524 2.160 6.563 1.00 0.00 H new ATOM 0 HA LYS A 11 9.878 0.801 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.484 2.682 5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.178 1.215 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.396 1.157 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.942 0.527 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.311 2.296 1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.343 3.130 2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.761 3.465 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.294 3.288 2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.883 5.597 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.790 5.081 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.273 5.252 3.380 1.00 0.00 H new ATOM 139 N TYR A 12 9.800 -1.428 5.003 1.00 0.00 N ATOM 140 CA TYR A 12 9.804 -2.776 5.559 1.00 0.00 C ATOM 141 C TYR A 12 10.298 -3.787 4.529 1.00 0.00 C ATOM 142 O TYR A 12 9.957 -3.702 3.349 1.00 0.00 O ATOM 143 CB TYR A 12 8.401 -3.159 6.034 1.00 0.00 C ATOM 144 CG TYR A 12 8.164 -2.897 7.504 1.00 0.00 C ATOM 145 CD1 TYR A 12 9.081 -3.313 8.461 1.00 0.00 C ATOM 146 CD2 TYR A 12 7.021 -2.236 7.934 1.00 0.00 C ATOM 147 CE1 TYR A 12 8.865 -3.077 9.805 1.00 0.00 C ATOM 148 CE2 TYR A 12 6.798 -1.996 9.276 1.00 0.00 C ATOM 149 CZ TYR A 12 7.723 -2.418 10.208 1.00 0.00 C ATOM 150 OH TYR A 12 7.504 -2.181 11.546 1.00 0.00 O ATOM 0 H TYR A 12 9.409 -1.361 4.063 1.00 0.00 H new ATOM 0 HA TYR A 12 10.484 -2.789 6.411 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.666 -2.603 5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.235 -4.217 5.831 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.977 -3.829 8.149 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.294 -1.904 7.207 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.587 -3.407 10.537 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.904 -1.480 9.594 1.00 0.00 H new ATOM 0 HH TYR A 12 6.654 -1.706 11.659 1.00 0.00 H new ATOM 160 N THR A 13 11.102 -4.743 4.982 1.00 0.00 N ATOM 161 CA THR A 13 11.639 -5.771 4.099 1.00 0.00 C ATOM 162 C THR A 13 10.727 -6.993 4.068 1.00 0.00 C ATOM 163 O THR A 13 9.810 -7.115 4.880 1.00 0.00 O ATOM 164 CB THR A 13 13.044 -6.180 4.547 1.00 0.00 C ATOM 165 OG1 THR A 13 13.071 -6.440 5.940 1.00 0.00 O ATOM 166 CG2 THR A 13 14.095 -5.132 4.250 1.00 0.00 C ATOM 0 H THR A 13 11.396 -4.827 5.955 1.00 0.00 H new ATOM 0 HA THR A 13 11.694 -5.355 3.093 1.00 0.00 H new ATOM 0 HB THR A 13 13.281 -7.078 3.976 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.977 -6.702 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.068 -5.485 4.593 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.133 -4.949 3.176 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.842 -4.206 4.767 1.00 0.00 H new ATOM 174 N ALA A 14 10.984 -7.894 3.127 1.00 0.00 N ATOM 175 CA ALA A 14 10.186 -9.106 2.992 1.00 0.00 C ATOM 176 C ALA A 14 10.241 -9.945 4.264 1.00 0.00 C ATOM 177 O ALA A 14 9.212 -10.397 4.766 1.00 0.00 O ATOM 178 CB ALA A 14 10.664 -9.922 1.800 1.00 0.00 C ATOM 0 H ALA A 14 11.739 -7.808 2.446 1.00 0.00 H new ATOM 0 HA ALA A 14 9.150 -8.812 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.059 -10.824 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.567 -9.329 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.709 -10.198 1.943 1.00 0.00 H new ATOM 184 N ALA A 15 11.448 -10.147 4.781 1.00 0.00 N ATOM 185 CA ALA A 15 11.637 -10.931 5.996 1.00 0.00 C ATOM 186 C ALA A 15 10.888 -10.311 7.170 1.00 0.00 C ATOM 187 O ALA A 15 10.362 -11.020 8.027 1.00 0.00 O ATOM 188 CB ALA A 15 13.119 -11.053 6.319 1.00 0.00 C ATOM 0 H ALA A 15 12.310 -9.779 4.378 1.00 0.00 H new ATOM 0 HA ALA A 15 11.230 -11.927 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.246 -11.641 7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.632 -11.546 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.542 -10.059 6.467 1.00 0.00 H new ATOM 194 N ARG A 16 10.843 -8.983 7.203 1.00 0.00 N ATOM 195 CA ARG A 16 10.158 -8.267 8.273 1.00 0.00 C ATOM 196 C ARG A 16 8.665 -8.578 8.265 1.00 0.00 C ATOM 197 O ARG A 16 8.110 -9.033 9.266 1.00 0.00 O ATOM 198 CB ARG A 16 10.378 -6.760 8.128 1.00 0.00 C ATOM 199 CG ARG A 16 11.594 -6.248 8.882 1.00 0.00 C ATOM 200 CD ARG A 16 11.389 -6.320 10.386 1.00 0.00 C ATOM 201 NE ARG A 16 12.621 -6.666 11.091 1.00 0.00 N ATOM 202 CZ ARG A 16 13.672 -5.855 11.188 1.00 0.00 C ATOM 203 NH1 ARG A 16 13.644 -4.651 10.629 1.00 0.00 N ATOM 204 NH2 ARG A 16 14.754 -6.248 11.846 1.00 0.00 N ATOM 0 H ARG A 16 11.273 -8.381 6.501 1.00 0.00 H new ATOM 0 HA ARG A 16 10.575 -8.598 9.224 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.487 -6.517 7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.492 -6.236 8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.469 -6.836 8.605 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.797 -5.217 8.590 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.022 -5.360 10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.622 -7.061 10.612 1.00 0.00 H new ATOM 0 HE ARG A 16 12.679 -7.583 11.535 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.814 -4.343 10.122 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.452 -4.034 10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.781 -7.172 12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.559 -5.627 11.920 1.00 0.00 H new ATOM 218 N LEU A 17 8.019 -8.330 7.130 1.00 0.00 N ATOM 219 CA LEU A 17 6.590 -8.584 6.992 1.00 0.00 C ATOM 220 C LEU A 17 6.290 -10.075 7.099 1.00 0.00 C ATOM 221 O LEU A 17 5.223 -10.471 7.570 1.00 0.00 O ATOM 222 CB LEU A 17 6.082 -8.044 5.653 1.00 0.00 C ATOM 223 CG LEU A 17 6.237 -6.534 5.462 1.00 0.00 C ATOM 224 CD1 LEU A 17 6.428 -6.199 3.991 1.00 0.00 C ATOM 225 CD2 LEU A 17 5.029 -5.801 6.025 1.00 0.00 C ATOM 0 H LEU A 17 8.463 -7.953 6.293 1.00 0.00 H new ATOM 0 HA LEU A 17 6.074 -8.069 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.613 -8.553 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.028 -8.301 5.552 1.00 0.00 H new ATOM 0 HG LEU A 17 7.123 -6.206 6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.536 -5.121 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.323 -6.696 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.561 -6.540 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.155 -4.728 5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.129 -6.133 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.937 -6.016 7.090 1.00 0.00 H new ATOM 237 N HIS A 18 7.235 -10.899 6.659 1.00 0.00 N ATOM 238 CA HIS A 18 7.072 -12.346 6.705 1.00 0.00 C ATOM 239 C HIS A 18 6.943 -12.834 8.145 1.00 0.00 C ATOM 240 O HIS A 18 6.050 -13.618 8.467 1.00 0.00 O ATOM 241 CB HIS A 18 8.255 -13.036 6.025 1.00 0.00 C ATOM 242 CG HIS A 18 8.076 -14.513 5.866 1.00 0.00 C ATOM 243 ND1 HIS A 18 7.213 -15.225 5.102 1.00 0.00 N flip ATOM 244 CD2 HIS A 18 8.839 -15.441 6.544 1.00 0.00 C flip ATOM 245 CE1 HIS A 18 7.469 -16.555 5.331 1.00 0.00 C flip ATOM 246 NE2 HIS A 18 8.454 -16.659 6.203 1.00 0.00 N flip ATOM 0 H HIS A 18 8.123 -10.588 6.266 1.00 0.00 H new ATOM 0 HA HIS A 18 6.156 -12.600 6.171 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.410 -12.589 5.043 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.158 -12.848 6.606 1.00 0.00 H new ATOM 0 HD1 HIS A 18 6.505 -14.844 4.474 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.628 -15.209 7.244 1.00 0.00 H new ATOM 0 HE1 HIS A 18 6.948 -17.382 4.872 1.00 0.00 H new ATOM 255 N GLU A 19 7.840 -12.365 9.006 1.00 0.00 N ATOM 256 CA GLU A 19 7.827 -12.754 10.412 1.00 0.00 C ATOM 257 C GLU A 19 6.507 -12.366 11.072 1.00 0.00 C ATOM 258 O GLU A 19 6.045 -13.035 11.996 1.00 0.00 O ATOM 259 CB GLU A 19 8.993 -12.099 11.154 1.00 0.00 C ATOM 260 CG GLU A 19 10.328 -12.788 10.918 1.00 0.00 C ATOM 261 CD GLU A 19 10.472 -14.072 11.710 1.00 0.00 C ATOM 262 OE1 GLU A 19 9.473 -14.813 11.824 1.00 0.00 O ATOM 263 OE2 GLU A 19 11.582 -14.336 12.217 1.00 0.00 O ATOM 0 H GLU A 19 8.585 -11.715 8.755 1.00 0.00 H new ATOM 0 HA GLU A 19 7.934 -13.837 10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.071 -11.057 10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.778 -12.098 12.223 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.436 -13.007 9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.136 -12.108 11.187 1.00 0.00 H new ATOM 270 N LYS A 20 5.908 -11.281 10.592 1.00 0.00 N ATOM 271 CA LYS A 20 4.642 -10.805 11.136 1.00 0.00 C ATOM 272 C LYS A 20 3.488 -11.697 10.691 1.00 0.00 C ATOM 273 O LYS A 20 2.527 -11.902 11.432 1.00 0.00 O ATOM 274 CB LYS A 20 4.384 -9.363 10.697 1.00 0.00 C ATOM 275 CG LYS A 20 5.449 -8.385 11.167 1.00 0.00 C ATOM 276 CD LYS A 20 5.233 -6.999 10.577 1.00 0.00 C ATOM 277 CE LYS A 20 5.373 -5.915 11.633 1.00 0.00 C ATOM 278 NZ LYS A 20 5.139 -4.556 11.069 1.00 0.00 N ATOM 0 H LYS A 20 6.279 -10.716 9.828 1.00 0.00 H new ATOM 0 HA LYS A 20 4.707 -10.841 12.223 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.325 -9.328 9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.415 -9.043 11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.434 -8.325 12.255 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.434 -8.754 10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.955 -6.826 9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.241 -6.944 10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.664 -6.100 12.440 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.371 -5.960 12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.050 -4.068 10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.668 -4.640 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.536 -4.010 11.717 1.00 0.00 H new ATOM 292 N GLY A 21 3.589 -12.225 9.475 1.00 0.00 N ATOM 293 CA GLY A 21 2.547 -13.087 8.951 1.00 0.00 C ATOM 294 C GLY A 21 1.920 -12.542 7.682 1.00 0.00 C ATOM 295 O GLY A 21 1.321 -13.289 6.907 1.00 0.00 O ATOM 0 H GLY A 21 4.375 -12.071 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.964 -14.074 8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.773 -13.216 9.708 1.00 0.00 H new ATOM 299 N VAL A 22 2.057 -11.236 7.466 1.00 0.00 N ATOM 300 CA VAL A 22 1.499 -10.594 6.281 1.00 0.00 C ATOM 301 C VAL A 22 1.995 -11.263 5.002 1.00 0.00 C ATOM 302 O VAL A 22 1.219 -11.877 4.270 1.00 0.00 O ATOM 303 CB VAL A 22 1.855 -9.096 6.232 1.00 0.00 C ATOM 304 CG1 VAL A 22 1.097 -8.403 5.110 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.564 -8.433 7.571 1.00 0.00 C ATOM 0 H VAL A 22 2.549 -10.603 8.096 1.00 0.00 H new ATOM 0 HA VAL A 22 0.416 -10.702 6.347 1.00 0.00 H new ATOM 0 HB VAL A 22 2.922 -9.002 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.361 -7.346 5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.361 -8.860 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.025 -8.506 5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.822 -7.375 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.505 -8.537 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.157 -8.912 8.350 1.00 0.00 H new ATOM 315 N LEU A 23 3.292 -11.139 4.741 1.00 0.00 N ATOM 316 CA LEU A 23 3.891 -11.731 3.552 1.00 0.00 C ATOM 317 C LEU A 23 3.892 -13.253 3.642 1.00 0.00 C ATOM 318 O LEU A 23 4.452 -13.829 4.575 1.00 0.00 O ATOM 319 CB LEU A 23 5.321 -11.219 3.365 1.00 0.00 C ATOM 320 CG LEU A 23 5.894 -11.398 1.958 1.00 0.00 C ATOM 321 CD1 LEU A 23 4.969 -10.776 0.923 1.00 0.00 C ATOM 322 CD2 LEU A 23 7.285 -10.786 1.869 1.00 0.00 C ATOM 0 H LEU A 23 3.948 -10.634 5.337 1.00 0.00 H new ATOM 0 HA LEU A 23 3.292 -11.437 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.347 -10.159 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.970 -11.733 4.073 1.00 0.00 H new ATOM 0 HG LEU A 23 5.973 -12.465 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.392 -10.913 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.993 -11.258 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.858 -9.711 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.679 -10.922 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.229 -9.721 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.945 -11.276 2.585 1.00 0.00 H new ATOM 334 N LEU A 24 3.261 -13.899 2.668 1.00 0.00 N ATOM 335 CA LEU A 24 3.188 -15.356 2.636 1.00 0.00 C ATOM 336 C LEU A 24 4.438 -15.950 1.998 1.00 0.00 C ATOM 337 O LEU A 24 5.244 -16.595 2.669 1.00 0.00 O ATOM 338 CB LEU A 24 1.945 -15.808 1.869 1.00 0.00 C ATOM 339 CG LEU A 24 0.619 -15.266 2.406 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.500 -15.501 1.403 1.00 0.00 C ATOM 341 CD2 LEU A 24 0.282 -15.910 3.742 1.00 0.00 C ATOM 0 H LEU A 24 2.792 -13.437 1.889 1.00 0.00 H new ATOM 0 HA LEU A 24 3.122 -15.714 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.049 -15.504 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.906 -16.897 1.881 1.00 0.00 H new ATOM 0 HG LEU A 24 0.723 -14.192 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.435 -15.109 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.263 -14.993 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.604 -16.570 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.664 -15.513 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.197 -16.989 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.071 -15.690 4.461 1.00 0.00 H new ATOM 353 N GLU A 25 4.595 -15.729 0.696 1.00 0.00 N ATOM 354 CA GLU A 25 5.748 -16.244 -0.033 1.00 0.00 C ATOM 355 C GLU A 25 5.984 -15.445 -1.311 1.00 0.00 C ATOM 356 O GLU A 25 5.250 -14.505 -1.611 1.00 0.00 O ATOM 357 CB GLU A 25 5.544 -17.722 -0.372 1.00 0.00 C ATOM 358 CG GLU A 25 5.532 -18.630 0.848 1.00 0.00 C ATOM 359 CD GLU A 25 5.477 -20.099 0.479 1.00 0.00 C ATOM 360 OE1 GLU A 25 4.916 -20.423 -0.589 1.00 0.00 O ATOM 361 OE2 GLU A 25 5.995 -20.926 1.259 1.00 0.00 O ATOM 0 H GLU A 25 3.938 -15.197 0.125 1.00 0.00 H new ATOM 0 HA GLU A 25 6.626 -16.142 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.602 -17.836 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.337 -18.044 -1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.424 -18.442 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.673 -18.383 1.472 1.00 0.00 H new ATOM 368 N ILE A 26 7.014 -15.828 -2.059 1.00 0.00 N ATOM 369 CA ILE A 26 7.348 -15.149 -3.304 1.00 0.00 C ATOM 370 C ILE A 26 7.726 -16.150 -4.391 1.00 0.00 C ATOM 371 O ILE A 26 8.642 -16.953 -4.219 1.00 0.00 O ATOM 372 CB ILE A 26 8.511 -14.158 -3.111 1.00 0.00 C ATOM 373 CG1 ILE A 26 8.254 -13.269 -1.893 1.00 0.00 C ATOM 374 CG2 ILE A 26 8.700 -13.312 -4.361 1.00 0.00 C ATOM 375 CD1 ILE A 26 9.420 -12.367 -1.548 1.00 0.00 C ATOM 0 H ILE A 26 7.631 -16.605 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 26 6.459 -14.599 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 26 9.426 -14.724 -2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.373 -12.655 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.026 -13.900 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.526 -12.617 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.923 -13.960 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.787 -12.752 -4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.168 -11.765 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.298 -12.975 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.634 -11.711 -2.392 1.00 0.00 H new ATOM 387 N GLU A 27 7.013 -16.095 -5.512 1.00 0.00 N ATOM 388 CA GLU A 27 7.274 -16.998 -6.628 1.00 0.00 C ATOM 389 C GLU A 27 8.479 -16.527 -7.436 1.00 0.00 C ATOM 390 O GLU A 27 8.363 -16.215 -8.622 1.00 0.00 O ATOM 391 CB GLU A 27 6.042 -17.095 -7.529 1.00 0.00 C ATOM 392 CG GLU A 27 5.101 -18.229 -7.156 1.00 0.00 C ATOM 393 CD GLU A 27 4.191 -18.633 -8.298 1.00 0.00 C ATOM 394 OE1 GLU A 27 3.449 -17.763 -8.801 1.00 0.00 O ATOM 395 OE2 GLU A 27 4.218 -19.818 -8.690 1.00 0.00 O ATOM 0 H GLU A 27 6.251 -15.436 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 27 7.496 -17.985 -6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.496 -16.153 -7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.367 -17.229 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.686 -19.093 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.494 -17.926 -6.303 1.00 0.00 H new ATOM 402 N ASP A 28 9.638 -16.477 -6.787 1.00 0.00 N ATOM 403 CA ASP A 28 10.866 -16.044 -7.445 1.00 0.00 C ATOM 404 C ASP A 28 12.052 -16.125 -6.490 1.00 0.00 C ATOM 405 O ASP A 28 13.151 -16.521 -6.881 1.00 0.00 O ATOM 406 CB ASP A 28 10.714 -14.615 -7.966 1.00 0.00 C ATOM 407 CG ASP A 28 11.576 -14.350 -9.185 1.00 0.00 C ATOM 408 OD1 ASP A 28 11.265 -14.900 -10.263 1.00 0.00 O ATOM 409 OD2 ASP A 28 12.561 -13.592 -9.063 1.00 0.00 O ATOM 0 H ASP A 28 9.753 -16.731 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 28 11.053 -16.712 -8.286 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.669 -14.432 -8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.981 -13.913 -7.176 1.00 0.00 H new ATOM 414 N LEU A 29 11.824 -15.747 -5.237 1.00 0.00 N ATOM 415 CA LEU A 29 12.875 -15.777 -4.226 1.00 0.00 C ATOM 416 C LEU A 29 12.521 -16.746 -3.102 1.00 0.00 C ATOM 417 O LEU A 29 11.409 -17.270 -3.048 1.00 0.00 O ATOM 418 CB LEU A 29 13.102 -14.376 -3.653 1.00 0.00 C ATOM 419 CG LEU A 29 13.002 -13.236 -4.669 1.00 0.00 C ATOM 420 CD1 LEU A 29 12.883 -11.898 -3.957 1.00 0.00 C ATOM 421 CD2 LEU A 29 14.208 -13.243 -5.596 1.00 0.00 C ATOM 0 H LEU A 29 10.921 -15.416 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 29 13.793 -16.120 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.373 -14.202 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.089 -14.345 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 29 12.105 -13.386 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.813 -11.098 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.989 -11.896 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.762 -11.739 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.121 -12.426 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.118 -13.116 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.250 -14.192 -6.131 1.00 0.00 H new ATOM 433 N GLN A 30 13.476 -16.979 -2.207 1.00 0.00 N ATOM 434 CA GLN A 30 13.265 -17.886 -1.084 1.00 0.00 C ATOM 435 C GLN A 30 13.285 -17.124 0.238 1.00 0.00 C ATOM 436 O GLN A 30 13.581 -15.930 0.273 1.00 0.00 O ATOM 437 CB GLN A 30 14.338 -18.977 -1.072 1.00 0.00 C ATOM 438 CG GLN A 30 14.242 -19.936 -2.247 1.00 0.00 C ATOM 439 CD GLN A 30 15.162 -19.552 -3.389 1.00 0.00 C ATOM 440 OE1 GLN A 30 16.354 -19.320 -3.190 1.00 0.00 O ATOM 441 NE2 GLN A 30 14.611 -19.483 -4.595 1.00 0.00 N ATOM 0 H GLN A 30 14.402 -16.553 -2.237 1.00 0.00 H new ATOM 0 HA GLN A 30 12.286 -18.351 -1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.322 -18.508 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.259 -19.543 -0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.488 -20.943 -1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.213 -19.962 -2.607 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.618 -19.684 -4.714 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.181 -19.229 -5.402 1.00 0.00 H new ATOM 450 N VAL A 31 12.967 -17.823 1.323 1.00 0.00 N ATOM 451 CA VAL A 31 12.948 -17.215 2.648 1.00 0.00 C ATOM 452 C VAL A 31 14.285 -16.558 2.976 1.00 0.00 C ATOM 453 O VAL A 31 14.343 -15.591 3.735 1.00 0.00 O ATOM 454 CB VAL A 31 12.620 -18.254 3.736 1.00 0.00 C ATOM 455 CG1 VAL A 31 12.413 -17.573 5.081 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.395 -19.067 3.347 1.00 0.00 C ATOM 0 H VAL A 31 12.719 -18.812 1.310 1.00 0.00 H new ATOM 0 HA VAL A 31 12.168 -16.453 2.633 1.00 0.00 H new ATOM 0 HB VAL A 31 13.465 -18.936 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.182 -18.323 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.322 -17.041 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.587 -16.866 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.179 -19.796 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.540 -18.402 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.587 -19.587 2.408 1.00 0.00 H new ATOM 466 N ASN A 32 15.358 -17.089 2.398 1.00 0.00 N ATOM 467 CA ASN A 32 16.694 -16.553 2.628 1.00 0.00 C ATOM 468 C ASN A 32 16.884 -15.228 1.896 1.00 0.00 C ATOM 469 O ASN A 32 17.668 -14.379 2.322 1.00 0.00 O ATOM 470 CB ASN A 32 17.754 -17.557 2.170 1.00 0.00 C ATOM 471 CG ASN A 32 19.162 -17.108 2.509 1.00 0.00 C ATOM 472 OD1 ASN A 32 19.652 -17.344 3.613 1.00 0.00 O ATOM 473 ND2 ASN A 32 19.819 -16.456 1.557 1.00 0.00 N ATOM 0 H ASN A 32 15.328 -17.890 1.767 1.00 0.00 H new ATOM 0 HA ASN A 32 16.807 -16.376 3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.561 -18.523 2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.671 -17.702 1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 32 20.770 -16.128 1.726 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.373 -16.283 0.656 1.00 0.00 H new ATOM 480 N GLN A 33 16.164 -15.058 0.793 1.00 0.00 N ATOM 481 CA GLN A 33 16.254 -13.836 -0.001 1.00 0.00 C ATOM 482 C GLN A 33 15.340 -12.742 0.553 1.00 0.00 C ATOM 483 O GLN A 33 15.416 -11.588 0.129 1.00 0.00 O ATOM 484 CB GLN A 33 15.895 -14.126 -1.458 1.00 0.00 C ATOM 485 CG GLN A 33 16.964 -14.910 -2.203 1.00 0.00 C ATOM 486 CD GLN A 33 16.754 -14.901 -3.705 1.00 0.00 C ATOM 487 OE1 GLN A 33 17.148 -13.959 -4.392 1.00 0.00 O ATOM 488 NE2 GLN A 33 16.130 -15.954 -4.221 1.00 0.00 N ATOM 0 H GLN A 33 15.511 -15.751 0.427 1.00 0.00 H new ATOM 0 HA GLN A 33 17.282 -13.478 0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.959 -14.684 -1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 33 15.721 -13.183 -1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.943 -14.489 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.968 -15.940 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 33 15.821 -16.712 -3.613 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.960 -16.004 -5.225 1.00 0.00 H new ATOM 497 N PHE A 34 14.477 -13.107 1.499 1.00 0.00 N ATOM 498 CA PHE A 34 13.554 -12.149 2.102 1.00 0.00 C ATOM 499 C PHE A 34 14.305 -10.973 2.723 1.00 0.00 C ATOM 500 O PHE A 34 13.733 -9.903 2.934 1.00 0.00 O ATOM 501 CB PHE A 34 12.693 -12.836 3.163 1.00 0.00 C ATOM 502 CG PHE A 34 11.411 -13.404 2.621 1.00 0.00 C ATOM 503 CD1 PHE A 34 11.394 -14.082 1.413 1.00 0.00 C ATOM 504 CD2 PHE A 34 10.224 -13.262 3.321 1.00 0.00 C ATOM 505 CE1 PHE A 34 10.218 -14.607 0.912 1.00 0.00 C ATOM 506 CE2 PHE A 34 9.044 -13.784 2.825 1.00 0.00 C ATOM 507 CZ PHE A 34 9.041 -14.457 1.620 1.00 0.00 C ATOM 0 H PHE A 34 14.398 -14.056 1.863 1.00 0.00 H new ATOM 0 HA PHE A 34 12.910 -11.764 1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.270 -13.638 3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.459 -12.119 3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.311 -14.202 0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.220 -12.737 4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.219 -15.133 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.125 -13.665 3.380 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.120 -14.866 1.231 1.00 0.00 H new ATOM 517 N LYS A 35 15.588 -11.175 3.016 1.00 0.00 N ATOM 518 CA LYS A 35 16.409 -10.128 3.614 1.00 0.00 C ATOM 519 C LYS A 35 17.153 -9.334 2.542 1.00 0.00 C ATOM 520 O LYS A 35 18.254 -8.838 2.777 1.00 0.00 O ATOM 521 CB LYS A 35 17.408 -10.737 4.598 1.00 0.00 C ATOM 522 CG LYS A 35 16.781 -11.166 5.915 1.00 0.00 C ATOM 523 CD LYS A 35 17.726 -12.040 6.723 1.00 0.00 C ATOM 524 CE LYS A 35 16.983 -13.168 7.421 1.00 0.00 C ATOM 525 NZ LYS A 35 17.603 -13.515 8.729 1.00 0.00 N ATOM 0 H LYS A 35 16.080 -12.053 2.849 1.00 0.00 H new ATOM 0 HA LYS A 35 15.748 -9.446 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.883 -11.601 4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.195 -10.011 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.513 -10.284 6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.858 -11.711 5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.489 -12.457 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.243 -11.430 7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.944 -12.876 7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.974 -14.049 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.067 -14.288 9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.586 -13.818 8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.589 -12.682 9.352 1.00 0.00 H new ATOM 539 N ASN A 36 16.545 -9.218 1.364 1.00 0.00 N ATOM 540 CA ASN A 36 17.150 -8.483 0.259 1.00 0.00 C ATOM 541 C ASN A 36 16.160 -7.486 -0.334 1.00 0.00 C ATOM 542 O ASN A 36 16.500 -6.329 -0.581 1.00 0.00 O ATOM 543 CB ASN A 36 17.630 -9.451 -0.825 1.00 0.00 C ATOM 544 CG ASN A 36 18.543 -10.528 -0.274 1.00 0.00 C ATOM 545 OD1 ASN A 36 19.283 -10.302 0.683 1.00 0.00 O ATOM 546 ND2 ASN A 36 18.498 -11.710 -0.881 1.00 0.00 N ATOM 0 H ASN A 36 15.634 -9.624 1.151 1.00 0.00 H new ATOM 0 HA ASN A 36 18.007 -7.932 0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 36 16.767 -9.918 -1.300 1.00 0.00 H new ATOM 0 HB3 ASN A 36 18.157 -8.893 -1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 36 19.092 -12.473 -0.556 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.869 -11.854 -1.671 1.00 0.00 H new ATOM 553 N VAL A 37 14.932 -7.944 -0.558 1.00 0.00 N ATOM 554 CA VAL A 37 13.890 -7.094 -1.120 1.00 0.00 C ATOM 555 C VAL A 37 13.387 -6.090 -0.089 1.00 0.00 C ATOM 556 O VAL A 37 13.551 -6.287 1.115 1.00 0.00 O ATOM 557 CB VAL A 37 12.700 -7.928 -1.631 1.00 0.00 C ATOM 558 CG1 VAL A 37 11.719 -7.050 -2.394 1.00 0.00 C ATOM 559 CG2 VAL A 37 13.187 -9.076 -2.500 1.00 0.00 C ATOM 0 H VAL A 37 14.635 -8.899 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 37 14.335 -6.559 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 37 12.180 -8.349 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.886 -7.657 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.344 -6.266 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.224 -6.596 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.332 -9.654 -2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.733 -8.678 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.845 -9.720 -1.917 1.00 0.00 H new ATOM 569 N ILE A 38 12.774 -5.012 -0.567 1.00 0.00 N ATOM 570 CA ILE A 38 12.249 -3.979 0.316 1.00 0.00 C ATOM 571 C ILE A 38 10.888 -3.484 -0.165 1.00 0.00 C ATOM 572 O ILE A 38 10.669 -3.300 -1.362 1.00 0.00 O ATOM 573 CB ILE A 38 13.217 -2.782 0.417 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.694 -1.754 1.424 1.00 0.00 C ATOM 575 CG2 ILE A 38 13.418 -2.141 -0.948 1.00 0.00 C ATOM 576 CD1 ILE A 38 13.737 -0.745 1.854 1.00 0.00 C ATOM 0 H ILE A 38 12.629 -4.832 -1.560 1.00 0.00 H new ATOM 0 HA ILE A 38 12.138 -4.430 1.302 1.00 0.00 H new ATOM 0 HB ILE A 38 14.182 -3.147 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.848 -1.225 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.321 -2.277 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.104 -1.299 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.835 -2.875 -1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.459 -1.789 -1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.297 -0.048 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.574 -1.264 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.093 -0.196 0.982 1.00 0.00 H new ATOM 588 N PHE A 39 9.975 -3.269 0.779 1.00 0.00 N ATOM 589 CA PHE A 39 8.636 -2.795 0.454 1.00 0.00 C ATOM 590 C PHE A 39 8.428 -1.369 0.954 1.00 0.00 C ATOM 591 O PHE A 39 8.402 -1.122 2.160 1.00 0.00 O ATOM 592 CB PHE A 39 7.582 -3.721 1.066 1.00 0.00 C ATOM 593 CG PHE A 39 7.376 -4.992 0.293 1.00 0.00 C ATOM 594 CD1 PHE A 39 6.595 -5.004 -0.852 1.00 0.00 C ATOM 595 CD2 PHE A 39 7.964 -6.176 0.711 1.00 0.00 C ATOM 596 CE1 PHE A 39 6.405 -6.172 -1.565 1.00 0.00 C ATOM 597 CE2 PHE A 39 7.777 -7.347 0.002 1.00 0.00 C ATOM 598 CZ PHE A 39 6.996 -7.346 -1.138 1.00 0.00 C ATOM 0 H PHE A 39 10.140 -3.416 1.775 1.00 0.00 H new ATOM 0 HA PHE A 39 8.529 -2.800 -0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.877 -3.969 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.634 -3.187 1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.130 -4.090 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.575 -6.183 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.795 -6.168 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 39 8.241 -8.262 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.848 -8.260 -1.694 1.00 0.00 H new ATOM 608 N GLU A 40 8.284 -0.434 0.021 1.00 0.00 N ATOM 609 CA GLU A 40 8.081 0.967 0.368 1.00 0.00 C ATOM 610 C GLU A 40 6.614 1.360 0.215 1.00 0.00 C ATOM 611 O GLU A 40 6.092 1.426 -0.898 1.00 0.00 O ATOM 612 CB GLU A 40 8.959 1.863 -0.510 1.00 0.00 C ATOM 613 CG GLU A 40 9.777 2.872 0.279 1.00 0.00 C ATOM 614 CD GLU A 40 9.211 4.276 0.195 1.00 0.00 C ATOM 615 OE1 GLU A 40 9.393 4.928 -0.855 1.00 0.00 O ATOM 616 OE2 GLU A 40 8.586 4.724 1.180 1.00 0.00 O ATOM 0 H GLU A 40 8.304 -0.621 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 40 8.365 1.103 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.634 1.237 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.326 2.396 -1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.819 2.563 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.801 2.874 -0.094 1.00 0.00 H new ATOM 623 N ILE A 41 5.956 1.619 1.340 1.00 0.00 N ATOM 624 CA ILE A 41 4.552 2.005 1.332 1.00 0.00 C ATOM 625 C ILE A 41 4.390 3.494 1.612 1.00 0.00 C ATOM 626 O ILE A 41 4.819 3.990 2.653 1.00 0.00 O ATOM 627 CB ILE A 41 3.742 1.208 2.373 1.00 0.00 C ATOM 628 CG1 ILE A 41 4.040 -0.288 2.249 1.00 0.00 C ATOM 629 CG2 ILE A 41 2.253 1.474 2.203 1.00 0.00 C ATOM 630 CD1 ILE A 41 3.662 -1.083 3.480 1.00 0.00 C ATOM 0 H ILE A 41 6.374 1.568 2.269 1.00 0.00 H new ATOM 0 HA ILE A 41 4.169 1.781 0.336 1.00 0.00 H new ATOM 0 HB ILE A 41 4.038 1.536 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.502 -0.687 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.103 -0.423 2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.694 0.904 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.056 2.537 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.941 1.171 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.901 -2.135 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.219 -0.710 4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.593 -0.978 3.667 1.00 0.00 H new ATOM 642 N SER A 42 3.768 4.204 0.677 1.00 0.00 N ATOM 643 CA SER A 42 3.550 5.637 0.825 1.00 0.00 C ATOM 644 C SER A 42 2.093 5.933 1.181 1.00 0.00 C ATOM 645 O SER A 42 1.177 5.481 0.493 1.00 0.00 O ATOM 646 CB SER A 42 3.930 6.369 -0.464 1.00 0.00 C ATOM 647 OG SER A 42 5.035 5.746 -1.096 1.00 0.00 O ATOM 0 H SER A 42 3.406 3.810 -0.191 1.00 0.00 H new ATOM 0 HA SER A 42 4.184 5.993 1.637 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.078 6.382 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.174 7.407 -0.238 1.00 0.00 H new ATOM 0 HG SER A 42 5.258 6.231 -1.918 1.00 0.00 H new ATOM 653 N PRO A 43 1.855 6.697 2.263 1.00 0.00 N ATOM 654 CA PRO A 43 0.499 7.043 2.698 1.00 0.00 C ATOM 655 C PRO A 43 -0.160 8.068 1.781 1.00 0.00 C ATOM 656 O PRO A 43 0.492 8.995 1.300 1.00 0.00 O ATOM 657 CB PRO A 43 0.716 7.634 4.091 1.00 0.00 C ATOM 658 CG PRO A 43 2.097 8.187 4.053 1.00 0.00 C ATOM 659 CD PRO A 43 2.884 7.281 3.146 1.00 0.00 C ATOM 0 HA PRO A 43 -0.167 6.180 2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.016 8.411 4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.615 6.873 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.097 9.210 3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.534 8.214 5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.633 7.834 2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.414 6.512 3.708 1.00 0.00 H new ATOM 667 N THR A 44 -1.457 7.896 1.542 1.00 0.00 N ATOM 668 CA THR A 44 -2.203 8.807 0.681 1.00 0.00 C ATOM 669 C THR A 44 -3.075 9.746 1.509 1.00 0.00 C ATOM 670 O THR A 44 -3.496 9.406 2.615 1.00 0.00 O ATOM 671 CB THR A 44 -3.074 8.017 -0.298 1.00 0.00 C ATOM 672 OG1 THR A 44 -4.125 7.357 0.384 1.00 0.00 O ATOM 673 CG2 THR A 44 -2.303 6.973 -1.076 1.00 0.00 C ATOM 0 H THR A 44 -2.012 7.135 1.932 1.00 0.00 H new ATOM 0 HA THR A 44 -1.486 9.406 0.119 1.00 0.00 H new ATOM 0 HB THR A 44 -3.463 8.756 -0.999 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.834 6.457 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.980 6.449 -1.751 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.516 7.458 -1.654 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.857 6.259 -0.384 1.00 0.00 H new ATOM 681 N GLU A 45 -3.342 10.929 0.967 1.00 0.00 N ATOM 682 CA GLU A 45 -4.164 11.918 1.654 1.00 0.00 C ATOM 683 C GLU A 45 -5.574 11.386 1.885 1.00 0.00 C ATOM 684 O GLU A 45 -6.152 11.573 2.956 1.00 0.00 O ATOM 685 CB GLU A 45 -4.223 13.214 0.845 1.00 0.00 C ATOM 686 CG GLU A 45 -4.876 13.053 -0.518 1.00 0.00 C ATOM 687 CD GLU A 45 -4.912 14.348 -1.305 1.00 0.00 C ATOM 688 OE1 GLU A 45 -5.002 15.423 -0.675 1.00 0.00 O ATOM 689 OE2 GLU A 45 -4.850 14.288 -2.551 1.00 0.00 O ATOM 0 H GLU A 45 -3.001 11.227 0.053 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.708 12.123 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.772 13.963 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.211 13.595 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.334 12.300 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.893 12.683 -0.388 1.00 0.00 H new ATOM 696 N GLU A 46 -6.123 10.721 0.873 1.00 0.00 N ATOM 697 CA GLU A 46 -7.466 10.160 0.966 1.00 0.00 C ATOM 698 C GLU A 46 -7.474 8.908 1.837 1.00 0.00 C ATOM 699 O GLU A 46 -6.617 8.035 1.695 1.00 0.00 O ATOM 700 CB GLU A 46 -8.001 9.830 -0.429 1.00 0.00 C ATOM 701 CG GLU A 46 -9.497 9.560 -0.459 1.00 0.00 C ATOM 702 CD GLU A 46 -10.319 10.833 -0.470 1.00 0.00 C ATOM 703 OE1 GLU A 46 -10.007 11.749 0.320 1.00 0.00 O ATOM 704 OE2 GLU A 46 -11.275 10.915 -1.269 1.00 0.00 O ATOM 0 H GLU A 46 -5.659 10.558 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.113 10.905 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.776 10.659 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.475 8.956 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.738 8.969 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.772 8.962 0.410 1.00 0.00 H new ATOM 711 N VAL A 47 -8.447 8.825 2.738 1.00 0.00 N ATOM 712 CA VAL A 47 -8.567 7.679 3.630 1.00 0.00 C ATOM 713 C VAL A 47 -9.080 6.452 2.883 1.00 0.00 C ATOM 714 O VAL A 47 -10.081 6.522 2.168 1.00 0.00 O ATOM 715 CB VAL A 47 -9.508 7.985 4.813 1.00 0.00 C ATOM 716 CG1 VAL A 47 -10.915 8.285 4.318 1.00 0.00 C ATOM 717 CG2 VAL A 47 -9.516 6.830 5.805 1.00 0.00 C ATOM 0 H VAL A 47 -9.164 9.538 2.869 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.569 7.471 4.017 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.135 8.871 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.562 8.498 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.891 9.150 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.301 7.422 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.186 7.065 6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.860 5.924 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.508 6.672 6.188 1.00 0.00 H new ATOM 727 N GLY A 48 -8.389 5.330 3.052 1.00 0.00 N ATOM 728 CA GLY A 48 -8.789 4.104 2.387 1.00 0.00 C ATOM 729 C GLY A 48 -7.821 3.695 1.295 1.00 0.00 C ATOM 730 O GLY A 48 -7.612 2.507 1.054 1.00 0.00 O ATOM 0 H GLY A 48 -7.558 5.248 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.862 3.303 3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.782 4.235 1.958 1.00 0.00 H new ATOM 734 N ASP A 49 -7.229 4.684 0.632 1.00 0.00 N ATOM 735 CA ASP A 49 -6.277 4.423 -0.442 1.00 0.00 C ATOM 736 C ASP A 49 -4.857 4.317 0.105 1.00 0.00 C ATOM 737 O ASP A 49 -4.541 4.876 1.155 1.00 0.00 O ATOM 738 CB ASP A 49 -6.348 5.528 -1.496 1.00 0.00 C ATOM 739 CG ASP A 49 -5.580 5.175 -2.755 1.00 0.00 C ATOM 740 OD1 ASP A 49 -5.378 3.969 -3.008 1.00 0.00 O ATOM 741 OD2 ASP A 49 -5.178 6.105 -3.486 1.00 0.00 O ATOM 0 H ASP A 49 -7.392 5.673 0.820 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.542 3.472 -0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.391 5.717 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.949 6.452 -1.077 1.00 0.00 H new ATOM 746 N PHE A 50 -4.004 3.596 -0.616 1.00 0.00 N ATOM 747 CA PHE A 50 -2.617 3.416 -0.204 1.00 0.00 C ATOM 748 C PHE A 50 -1.696 3.332 -1.418 1.00 0.00 C ATOM 749 O PHE A 50 -2.156 3.345 -2.560 1.00 0.00 O ATOM 750 CB PHE A 50 -2.475 2.153 0.646 1.00 0.00 C ATOM 751 CG PHE A 50 -3.297 2.180 1.902 1.00 0.00 C ATOM 752 CD1 PHE A 50 -3.118 3.181 2.843 1.00 0.00 C ATOM 753 CD2 PHE A 50 -4.251 1.203 2.142 1.00 0.00 C ATOM 754 CE1 PHE A 50 -3.874 3.208 4.001 1.00 0.00 C ATOM 755 CE2 PHE A 50 -5.010 1.224 3.297 1.00 0.00 C ATOM 756 CZ PHE A 50 -4.821 2.228 4.227 1.00 0.00 C ATOM 0 H PHE A 50 -4.249 3.127 -1.488 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.326 4.281 0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.766 1.289 0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.426 2.019 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.379 3.950 2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.403 0.416 1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.724 3.994 4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.750 0.457 3.472 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.413 2.247 5.130 1.00 0.00 H new ATOM 766 N GLU A 51 -0.395 3.246 -1.163 1.00 0.00 N ATOM 767 CA GLU A 51 0.590 3.160 -2.235 1.00 0.00 C ATOM 768 C GLU A 51 1.702 2.182 -1.875 1.00 0.00 C ATOM 769 O GLU A 51 2.609 2.512 -1.110 1.00 0.00 O ATOM 770 CB GLU A 51 1.181 4.540 -2.524 1.00 0.00 C ATOM 771 CG GLU A 51 1.978 4.602 -3.817 1.00 0.00 C ATOM 772 CD GLU A 51 1.706 5.865 -4.610 1.00 0.00 C ATOM 773 OE1 GLU A 51 1.856 6.967 -4.041 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.342 5.753 -5.799 1.00 0.00 O ATOM 0 H GLU A 51 0.002 3.234 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 51 0.086 2.794 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.373 5.270 -2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.826 4.831 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.042 4.544 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.737 3.734 -4.430 1.00 0.00 H new ATOM 781 N VAL A 52 1.627 0.976 -2.429 1.00 0.00 N ATOM 782 CA VAL A 52 2.626 -0.052 -2.165 1.00 0.00 C ATOM 783 C VAL A 52 3.735 -0.019 -3.212 1.00 0.00 C ATOM 784 O VAL A 52 3.541 0.480 -4.321 1.00 0.00 O ATOM 785 CB VAL A 52 1.996 -1.457 -2.143 1.00 0.00 C ATOM 786 CG1 VAL A 52 3.021 -2.496 -1.711 1.00 0.00 C ATOM 787 CG2 VAL A 52 0.781 -1.486 -1.227 1.00 0.00 C ATOM 0 H VAL A 52 0.883 0.687 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 52 3.049 0.161 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 52 1.667 -1.701 -3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.557 -3.482 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.857 -2.495 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.383 -2.256 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.350 -2.487 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.082 -1.219 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.039 -0.772 -1.585 1.00 0.00 H new ATOM 797 N LYS A 53 4.896 -0.556 -2.853 1.00 0.00 N ATOM 798 CA LYS A 53 6.037 -0.590 -3.761 1.00 0.00 C ATOM 799 C LYS A 53 6.890 -1.830 -3.514 1.00 0.00 C ATOM 800 O LYS A 53 6.989 -2.312 -2.386 1.00 0.00 O ATOM 801 CB LYS A 53 6.887 0.670 -3.594 1.00 0.00 C ATOM 802 CG LYS A 53 7.981 0.808 -4.640 1.00 0.00 C ATOM 803 CD LYS A 53 8.227 2.265 -5.000 1.00 0.00 C ATOM 804 CE LYS A 53 8.908 2.400 -6.353 1.00 0.00 C ATOM 805 NZ LYS A 53 10.352 2.737 -6.216 1.00 0.00 N ATOM 0 H LYS A 53 5.072 -0.974 -1.939 1.00 0.00 H new ATOM 0 HA LYS A 53 5.657 -0.629 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.238 1.545 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.342 0.663 -2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.903 0.364 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.702 0.253 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.279 2.802 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.845 2.731 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.804 1.467 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.408 3.174 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.780 2.820 -7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.451 3.640 -5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.835 1.986 -5.682 1.00 0.00 H new ATOM 819 N ALA A 54 7.503 -2.342 -4.576 1.00 0.00 N ATOM 820 CA ALA A 54 8.347 -3.526 -4.473 1.00 0.00 C ATOM 821 C ALA A 54 9.604 -3.381 -5.322 1.00 0.00 C ATOM 822 O ALA A 54 9.528 -3.260 -6.546 1.00 0.00 O ATOM 823 CB ALA A 54 7.568 -4.765 -4.886 1.00 0.00 C ATOM 0 H ALA A 54 7.431 -1.956 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 54 8.655 -3.633 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.210 -5.642 -4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.704 -4.886 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.231 -4.656 -5.917 1.00 0.00 H new ATOM 829 N LYS A 55 10.760 -3.395 -4.667 1.00 0.00 N ATOM 830 CA LYS A 55 12.035 -3.266 -5.362 1.00 0.00 C ATOM 831 C LYS A 55 12.313 -4.499 -6.217 1.00 0.00 C ATOM 832 O LYS A 55 11.770 -5.575 -5.965 1.00 0.00 O ATOM 833 CB LYS A 55 13.169 -3.063 -4.355 1.00 0.00 C ATOM 834 CG LYS A 55 14.405 -2.410 -4.954 1.00 0.00 C ATOM 835 CD LYS A 55 14.142 -0.963 -5.340 1.00 0.00 C ATOM 836 CE LYS A 55 14.017 -0.800 -6.847 1.00 0.00 C ATOM 837 NZ LYS A 55 15.305 -1.070 -7.545 1.00 0.00 N ATOM 0 H LYS A 55 10.840 -3.494 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 55 11.980 -2.396 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.806 -2.448 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.447 -4.029 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.224 -2.453 -4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.723 -2.970 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.227 -0.618 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.952 -0.334 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.251 -1.479 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.686 0.213 -7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.306 -0.593 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.094 -0.711 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.416 -2.095 -7.684 1.00 0.00 H new ATOM 851 N PHE A 56 13.161 -4.335 -7.227 1.00 0.00 N ATOM 852 CA PHE A 56 13.511 -5.436 -8.118 1.00 0.00 C ATOM 853 C PHE A 56 12.281 -5.946 -8.862 1.00 0.00 C ATOM 854 O PHE A 56 12.114 -7.151 -9.055 1.00 0.00 O ATOM 855 CB PHE A 56 14.155 -6.577 -7.328 1.00 0.00 C ATOM 856 CG PHE A 56 15.466 -6.204 -6.697 1.00 0.00 C ATOM 857 CD1 PHE A 56 16.594 -6.006 -7.477 1.00 0.00 C ATOM 858 CD2 PHE A 56 15.570 -6.051 -5.324 1.00 0.00 C ATOM 859 CE1 PHE A 56 17.801 -5.663 -6.899 1.00 0.00 C ATOM 860 CE2 PHE A 56 16.774 -5.708 -4.740 1.00 0.00 C ATOM 861 CZ PHE A 56 17.892 -5.514 -5.529 1.00 0.00 C ATOM 0 H PHE A 56 13.619 -3.451 -7.449 1.00 0.00 H new ATOM 0 HA PHE A 56 14.227 -5.063 -8.850 1.00 0.00 H new ATOM 0 HB2 PHE A 56 13.466 -6.903 -6.549 1.00 0.00 H new ATOM 0 HB3 PHE A 56 14.310 -7.427 -7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 56 16.529 -6.121 -8.549 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.699 -6.202 -4.703 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.673 -5.511 -7.518 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.842 -5.592 -3.668 1.00 0.00 H new ATOM 0 HZ PHE A 56 18.835 -5.246 -5.075 1.00 0.00 H new ATOM 871 N MET A 57 11.421 -5.022 -9.277 1.00 0.00 N ATOM 872 CA MET A 57 10.206 -5.378 -10.000 1.00 0.00 C ATOM 873 C MET A 57 9.478 -4.129 -10.486 1.00 0.00 C ATOM 874 O MET A 57 8.247 -4.082 -10.504 1.00 0.00 O ATOM 875 CB MET A 57 9.281 -6.208 -9.109 1.00 0.00 C ATOM 876 CG MET A 57 8.215 -6.969 -9.881 1.00 0.00 C ATOM 877 SD MET A 57 8.916 -8.128 -11.072 1.00 0.00 S ATOM 878 CE MET A 57 7.573 -9.302 -11.233 1.00 0.00 C ATOM 0 H MET A 57 11.543 -4.021 -9.125 1.00 0.00 H new ATOM 0 HA MET A 57 10.490 -5.972 -10.868 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.880 -6.917 -8.538 1.00 0.00 H new ATOM 0 HB3 MET A 57 8.796 -5.549 -8.389 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.582 -7.513 -9.180 1.00 0.00 H new ATOM 0 HG3 MET A 57 7.574 -6.259 -10.404 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.855 -10.083 -11.939 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.362 -9.749 -10.262 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.683 -8.789 -11.597 1.00 0.00 H new ATOM 888 N GLY A 58 10.245 -3.118 -10.881 1.00 0.00 N ATOM 889 CA GLY A 58 9.655 -1.882 -11.362 1.00 0.00 C ATOM 890 C GLY A 58 9.683 -1.776 -12.875 1.00 0.00 C ATOM 891 O GLY A 58 10.463 -2.460 -13.536 1.00 0.00 O ATOM 0 H GLY A 58 11.265 -3.132 -10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.624 -1.816 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.191 -1.036 -10.932 1.00 0.00 H new ATOM 895 N VAL A 59 8.830 -0.916 -13.421 1.00 0.00 N ATOM 896 CA VAL A 59 8.760 -0.723 -14.865 1.00 0.00 C ATOM 897 C VAL A 59 9.256 0.666 -15.259 1.00 0.00 C ATOM 898 O VAL A 59 9.824 0.850 -16.336 1.00 0.00 O ATOM 899 CB VAL A 59 7.323 -0.917 -15.389 1.00 0.00 C ATOM 900 CG1 VAL A 59 6.382 0.112 -14.778 1.00 0.00 C ATOM 901 CG2 VAL A 59 7.292 -0.842 -16.909 1.00 0.00 C ATOM 0 H VAL A 59 8.178 -0.342 -12.886 1.00 0.00 H new ATOM 0 HA VAL A 59 9.406 -1.476 -15.318 1.00 0.00 H new ATOM 0 HB VAL A 59 6.981 -1.908 -15.089 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.374 -0.044 -15.162 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.378 0.003 -13.693 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.719 1.115 -15.041 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.269 -0.981 -17.259 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.657 0.133 -17.233 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.928 -1.624 -17.325 1.00 0.00 H new ATOM 911 N GLN A 60 9.038 1.639 -14.380 1.00 0.00 N ATOM 912 CA GLN A 60 9.464 3.010 -14.637 1.00 0.00 C ATOM 913 C GLN A 60 9.294 3.873 -13.390 1.00 0.00 C ATOM 914 O GLN A 60 8.889 5.034 -13.474 1.00 0.00 O ATOM 915 CB GLN A 60 8.667 3.601 -15.805 1.00 0.00 C ATOM 916 CG GLN A 60 9.486 3.771 -17.074 1.00 0.00 C ATOM 917 CD GLN A 60 9.878 5.214 -17.326 1.00 0.00 C ATOM 918 OE1 GLN A 60 11.009 5.618 -17.054 1.00 0.00 O ATOM 919 NE2 GLN A 60 8.943 5.999 -17.848 1.00 0.00 N ATOM 0 H GLN A 60 8.569 1.504 -13.484 1.00 0.00 H new ATOM 0 HA GLN A 60 10.521 2.997 -14.902 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.814 2.955 -16.016 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.267 4.570 -15.508 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.386 3.160 -17.005 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.913 3.400 -17.924 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.019 5.622 -18.058 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.149 6.980 -18.039 1.00 0.00 H new ATOM 928 N MET A 61 9.607 3.299 -12.233 1.00 0.00 N ATOM 929 CA MET A 61 9.491 4.015 -10.967 1.00 0.00 C ATOM 930 C MET A 61 8.040 4.390 -10.686 1.00 0.00 C ATOM 931 O MET A 61 7.762 5.415 -10.062 1.00 0.00 O ATOM 932 CB MET A 61 10.364 5.273 -10.985 1.00 0.00 C ATOM 933 CG MET A 61 11.236 5.428 -9.749 1.00 0.00 C ATOM 934 SD MET A 61 12.717 6.406 -10.062 1.00 0.00 S ATOM 935 CE MET A 61 12.030 8.059 -10.097 1.00 0.00 C ATOM 0 H MET A 61 9.943 2.340 -12.146 1.00 0.00 H new ATOM 0 HA MET A 61 9.837 3.355 -10.171 1.00 0.00 H new ATOM 0 HB2 MET A 61 11.002 5.250 -11.869 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.722 6.149 -11.078 1.00 0.00 H new ATOM 0 HG2 MET A 61 10.655 5.899 -8.956 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.526 4.441 -9.388 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.826 8.780 -10.282 1.00 0.00 H new ATOM 0 HE2 MET A 61 11.287 8.127 -10.891 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.558 8.277 -9.139 1.00 0.00 H new ATOM 945 N GLU A 62 7.117 3.553 -11.150 1.00 0.00 N ATOM 946 CA GLU A 62 5.694 3.794 -10.949 1.00 0.00 C ATOM 947 C GLU A 62 5.141 2.900 -9.844 1.00 0.00 C ATOM 948 O GLU A 62 4.936 1.703 -10.046 1.00 0.00 O ATOM 949 CB GLU A 62 4.926 3.552 -12.250 1.00 0.00 C ATOM 950 CG GLU A 62 3.763 4.508 -12.459 1.00 0.00 C ATOM 951 CD GLU A 62 2.748 4.445 -11.335 1.00 0.00 C ATOM 952 OE1 GLU A 62 3.025 5.003 -10.253 1.00 0.00 O ATOM 953 OE2 GLU A 62 1.675 3.838 -11.537 1.00 0.00 O ATOM 0 H GLU A 62 7.331 2.701 -11.668 1.00 0.00 H new ATOM 0 HA GLU A 62 5.566 4.834 -10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.614 3.642 -13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.549 2.529 -12.255 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.144 5.526 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.270 4.274 -13.402 1.00 0.00 H new ATOM 960 N THR A 63 4.902 3.488 -8.676 1.00 0.00 N ATOM 961 CA THR A 63 4.373 2.744 -7.539 1.00 0.00 C ATOM 962 C THR A 63 3.017 2.130 -7.875 1.00 0.00 C ATOM 963 O THR A 63 2.235 2.704 -8.633 1.00 0.00 O ATOM 964 CB THR A 63 4.244 3.658 -6.321 1.00 0.00 C ATOM 965 OG1 THR A 63 5.128 4.760 -6.424 1.00 0.00 O ATOM 966 CG2 THR A 63 4.534 2.956 -5.012 1.00 0.00 C ATOM 0 H THR A 63 5.066 4.478 -8.492 1.00 0.00 H new ATOM 0 HA THR A 63 5.070 1.938 -7.307 1.00 0.00 H new ATOM 0 HB THR A 63 3.205 3.986 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.029 5.334 -5.636 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.424 3.662 -4.189 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.834 2.131 -4.879 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.553 2.569 -5.025 1.00 0.00 H new ATOM 974 N PHE A 64 2.745 0.962 -7.303 1.00 0.00 N ATOM 975 CA PHE A 64 1.484 0.270 -7.541 1.00 0.00 C ATOM 976 C PHE A 64 0.416 0.736 -6.557 1.00 0.00 C ATOM 977 O PHE A 64 0.536 0.525 -5.350 1.00 0.00 O ATOM 978 CB PHE A 64 1.677 -1.242 -7.425 1.00 0.00 C ATOM 979 CG PHE A 64 0.495 -2.037 -7.902 1.00 0.00 C ATOM 980 CD1 PHE A 64 -0.078 -1.776 -9.137 1.00 0.00 C ATOM 981 CD2 PHE A 64 -0.042 -3.043 -7.117 1.00 0.00 C ATOM 982 CE1 PHE A 64 -1.165 -2.506 -9.578 1.00 0.00 C ATOM 983 CE2 PHE A 64 -1.130 -3.776 -7.552 1.00 0.00 C ATOM 984 CZ PHE A 64 -1.692 -3.506 -8.785 1.00 0.00 C ATOM 0 H PHE A 64 3.381 0.475 -6.671 1.00 0.00 H new ATOM 0 HA PHE A 64 1.152 0.509 -8.551 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.556 -1.533 -8.000 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.879 -1.495 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.329 -0.994 -9.761 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.395 -3.258 -6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.602 -2.295 -10.543 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.540 -4.558 -6.930 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.542 -4.076 -9.128 1.00 0.00 H new ATOM 994 N MET A 65 -0.628 1.368 -7.081 1.00 0.00 N ATOM 995 CA MET A 65 -1.719 1.863 -6.250 1.00 0.00 C ATOM 996 C MET A 65 -2.546 0.709 -5.693 1.00 0.00 C ATOM 997 O MET A 65 -2.772 -0.291 -6.374 1.00 0.00 O ATOM 998 CB MET A 65 -2.615 2.806 -7.055 1.00 0.00 C ATOM 999 CG MET A 65 -3.384 3.796 -6.195 1.00 0.00 C ATOM 1000 SD MET A 65 -3.069 5.512 -6.653 1.00 0.00 S ATOM 1001 CE MET A 65 -4.615 5.939 -7.450 1.00 0.00 C ATOM 0 H MET A 65 -0.742 1.550 -8.078 1.00 0.00 H new ATOM 0 HA MET A 65 -1.285 2.412 -5.414 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.001 3.357 -7.768 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.323 2.214 -7.635 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.451 3.592 -6.280 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.114 3.648 -5.149 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.576 6.974 -7.790 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.777 5.283 -8.305 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.435 5.821 -6.741 1.00 0.00 H new ATOM 1011 N LEU A 66 -2.994 0.854 -4.449 1.00 0.00 N ATOM 1012 CA LEU A 66 -3.795 -0.177 -3.801 1.00 0.00 C ATOM 1013 C LEU A 66 -5.081 0.413 -3.228 1.00 0.00 C ATOM 1014 O LEU A 66 -5.051 1.410 -2.507 1.00 0.00 O ATOM 1015 CB LEU A 66 -2.991 -0.853 -2.688 1.00 0.00 C ATOM 1016 CG LEU A 66 -3.629 -2.113 -2.101 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -3.531 -3.269 -3.084 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -2.968 -2.477 -0.780 1.00 0.00 C ATOM 0 H LEU A 66 -2.815 1.675 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.060 -0.921 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.006 -1.111 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.837 -0.134 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.684 -1.911 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.990 -4.157 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.050 -3.007 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.483 -3.473 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.434 -3.376 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.906 -2.660 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.090 -1.656 -0.074 1.00 0.00 H new ATOM 1030 N HIS A 67 -6.209 -0.210 -3.554 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.506 0.253 -3.071 1.00 0.00 C ATOM 1032 C HIS A 67 -8.005 -0.625 -1.928 1.00 0.00 C ATOM 1033 O HIS A 67 -7.619 -1.788 -1.811 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.525 0.259 -4.212 1.00 0.00 C ATOM 1035 CG HIS A 67 -9.342 1.511 -4.278 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -8.946 2.634 -4.973 1.00 0.00 N ATOM 1037 CD2 HIS A 67 -10.543 1.816 -3.729 1.00 0.00 C ATOM 1038 CE1 HIS A 67 -9.865 3.575 -4.848 1.00 0.00 C ATOM 1039 NE2 HIS A 67 -10.844 3.103 -4.099 1.00 0.00 N ATOM 0 H HIS A 67 -6.252 -1.036 -4.150 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.386 1.270 -2.697 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.000 0.127 -5.158 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.192 -0.595 -4.097 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.150 1.167 -3.115 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.822 4.562 -5.284 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -11.688 3.612 -3.837 1.00 0.00 H new ATOM 1048 N TYR A 68 -8.866 -0.059 -1.088 1.00 0.00 N ATOM 1049 CA TYR A 68 -9.418 -0.790 0.047 1.00 0.00 C ATOM 1050 C TYR A 68 -10.593 -1.662 -0.386 1.00 0.00 C ATOM 1051 O TYR A 68 -10.835 -2.723 0.188 1.00 0.00 O ATOM 1052 CB TYR A 68 -9.864 0.186 1.138 1.00 0.00 C ATOM 1053 CG TYR A 68 -9.501 -0.263 2.536 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -10.308 -1.154 3.232 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -8.352 0.208 3.160 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -9.980 -1.564 4.511 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -8.018 -0.198 4.439 1.00 0.00 C ATOM 1058 CZ TYR A 68 -8.836 -1.084 5.109 1.00 0.00 C ATOM 1059 OH TYR A 68 -8.506 -1.491 6.382 1.00 0.00 O ATOM 0 H TYR A 68 -9.196 0.902 -1.172 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.638 -1.438 0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.413 1.160 0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.944 0.318 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.206 -1.533 2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.710 0.902 2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.618 -2.257 5.039 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.122 0.177 4.911 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.540 -0.723 6.990 1.00 0.00 H new ATOM 1069 N GLN A 69 -11.320 -1.207 -1.402 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.469 -1.947 -1.911 1.00 0.00 C ATOM 1071 C GLN A 69 -12.048 -3.320 -2.425 1.00 0.00 C ATOM 1072 O GLN A 69 -12.737 -4.316 -2.203 1.00 0.00 O ATOM 1073 CB GLN A 69 -13.156 -1.160 -3.029 1.00 0.00 C ATOM 1074 CG GLN A 69 -14.669 -1.295 -3.028 1.00 0.00 C ATOM 1075 CD GLN A 69 -15.133 -2.668 -3.475 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -14.504 -3.302 -4.324 1.00 0.00 O ATOM 1077 NE2 GLN A 69 -16.238 -3.134 -2.907 1.00 0.00 N ATOM 0 H GLN A 69 -11.134 -0.330 -1.888 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.172 -2.086 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.894 -0.106 -2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.770 -1.499 -3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.047 -1.097 -2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.098 -0.539 -3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.727 -2.575 -2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.598 -4.051 -3.169 1.00 0.00 H new ATOM 1086 N ASP A 70 -10.911 -3.365 -3.112 1.00 0.00 N ATOM 1087 CA ASP A 70 -10.397 -4.615 -3.658 1.00 0.00 C ATOM 1088 C ASP A 70 -9.952 -5.555 -2.541 1.00 0.00 C ATOM 1089 O ASP A 70 -10.081 -6.774 -2.654 1.00 0.00 O ATOM 1090 CB ASP A 70 -9.227 -4.339 -4.604 1.00 0.00 C ATOM 1091 CG ASP A 70 -9.254 -5.229 -5.832 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -10.249 -5.171 -6.586 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -8.280 -5.983 -6.039 1.00 0.00 O ATOM 0 H ASP A 70 -10.328 -2.550 -3.304 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.200 -5.097 -4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.253 -3.295 -4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.289 -4.489 -4.070 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.429 -4.979 -1.464 1.00 0.00 N ATOM 1099 CA LEU A 71 -8.966 -5.764 -0.326 1.00 0.00 C ATOM 1100 C LEU A 71 -10.138 -6.418 0.398 1.00 0.00 C ATOM 1101 O LEU A 71 -10.053 -7.572 0.820 1.00 0.00 O ATOM 1102 CB LEU A 71 -8.181 -4.879 0.646 1.00 0.00 C ATOM 1103 CG LEU A 71 -6.956 -4.188 0.046 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -6.533 -3.008 0.909 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -5.810 -5.176 -0.106 1.00 0.00 C ATOM 0 H LEU A 71 -9.315 -3.971 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.311 -6.550 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.852 -4.117 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.858 -5.489 1.490 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.221 -3.813 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.660 -2.528 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.350 -2.289 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.285 -3.360 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.946 -4.668 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.546 -5.580 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.116 -5.989 -0.764 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.230 -5.674 0.540 1.00 0.00 N ATOM 1118 CA LEU A 72 -12.419 -6.183 1.213 1.00 0.00 C ATOM 1119 C LEU A 72 -13.187 -7.143 0.311 1.00 0.00 C ATOM 1120 O LEU A 72 -13.827 -8.081 0.787 1.00 0.00 O ATOM 1121 CB LEU A 72 -13.326 -5.024 1.634 1.00 0.00 C ATOM 1122 CG LEU A 72 -12.706 -4.049 2.636 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -13.568 -2.803 2.769 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -12.524 -4.721 3.989 1.00 0.00 C ATOM 0 H LEU A 72 -11.316 -4.717 0.198 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.099 -6.727 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.618 -4.469 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.238 -5.435 2.067 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.725 -3.750 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.112 -2.120 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.648 -2.311 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.562 -3.084 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.082 -4.013 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.493 -5.048 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.867 -5.584 3.881 1.00 0.00 H new ATOM 1136 N GLN A 73 -13.120 -6.903 -0.995 1.00 0.00 N ATOM 1137 CA GLN A 73 -13.811 -7.746 -1.964 1.00 0.00 C ATOM 1138 C GLN A 73 -13.304 -9.183 -1.894 1.00 0.00 C ATOM 1139 O GLN A 73 -14.053 -10.128 -2.143 1.00 0.00 O ATOM 1140 CB GLN A 73 -13.620 -7.194 -3.379 1.00 0.00 C ATOM 1141 CG GLN A 73 -14.809 -7.441 -4.293 1.00 0.00 C ATOM 1142 CD GLN A 73 -14.493 -8.413 -5.413 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -13.515 -8.241 -6.141 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -15.321 -9.440 -5.556 1.00 0.00 N ATOM 0 H GLN A 73 -12.594 -6.132 -1.406 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.873 -7.742 -1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.434 -6.122 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.732 -7.647 -3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.640 -7.829 -3.704 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.136 -6.493 -4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.119 -9.543 -4.929 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.159 -10.127 -6.293 1.00 0.00 H new ATOM 1153 N LEU A 74 -12.029 -9.340 -1.554 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.423 -10.663 -1.452 1.00 0.00 C ATOM 1155 C LEU A 74 -11.959 -11.415 -0.238 1.00 0.00 C ATOM 1156 O LEU A 74 -12.304 -12.593 -0.327 1.00 0.00 O ATOM 1157 CB LEU A 74 -9.900 -10.544 -1.362 1.00 0.00 C ATOM 1158 CG LEU A 74 -9.225 -9.925 -2.586 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -7.759 -9.640 -2.301 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -9.367 -10.841 -3.792 1.00 0.00 C ATOM 0 H LEU A 74 -11.396 -8.568 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.684 -11.225 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.649 -9.946 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.482 -11.538 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.720 -8.980 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.296 -9.200 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.679 -8.945 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.250 -10.570 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.881 -10.385 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.898 -11.801 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.424 -10.994 -4.010 1.00 0.00 H new ATOM 1172 N GLN A 75 -12.025 -10.726 0.897 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.519 -11.328 2.130 1.00 0.00 C ATOM 1174 C GLN A 75 -13.957 -11.809 1.962 1.00 0.00 C ATOM 1175 O GLN A 75 -14.368 -12.792 2.579 1.00 0.00 O ATOM 1176 CB GLN A 75 -12.435 -10.325 3.281 1.00 0.00 C ATOM 1177 CG GLN A 75 -12.043 -10.954 4.609 1.00 0.00 C ATOM 1178 CD GLN A 75 -11.857 -9.927 5.708 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -12.456 -10.030 6.778 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -11.025 -8.925 5.447 1.00 0.00 N ATOM 0 H GLN A 75 -11.742 -9.750 0.988 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.892 -12.189 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.710 -9.552 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.400 -9.832 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.810 -11.667 4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.118 -11.516 4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.549 -8.879 4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.862 -8.202 6.148 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.715 -11.110 1.124 1.00 0.00 N ATOM 1190 CA TYR A 76 -16.107 -11.466 0.875 1.00 0.00 C ATOM 1191 C TYR A 76 -16.203 -12.713 0.003 1.00 0.00 C ATOM 1192 O TYR A 76 -17.010 -13.606 0.264 1.00 0.00 O ATOM 1193 CB TYR A 76 -16.840 -10.303 0.204 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.340 -10.484 0.145 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -19.114 -10.410 1.295 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -18.982 -10.729 -1.063 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.485 -10.574 1.245 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.353 -10.894 -1.121 1.00 0.00 C ATOM 1199 CZ TYR A 76 -21.099 -10.817 0.035 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.464 -10.981 -0.020 1.00 0.00 O ATOM 0 H TYR A 76 -14.389 -10.294 0.606 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.578 -11.679 1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.615 -9.383 0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.457 -10.180 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.636 -10.221 2.245 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.400 -10.791 -1.971 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -21.072 -10.512 2.149 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -20.837 -11.082 -2.068 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.737 -11.143 -0.947 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.374 -12.769 -1.035 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.365 -13.908 -1.947 1.00 0.00 C ATOM 1212 C GLU A 77 -14.711 -15.121 -1.295 1.00 0.00 C ATOM 1213 O GLU A 77 -15.143 -16.256 -1.498 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.629 -13.549 -3.238 1.00 0.00 C ATOM 1215 CG GLU A 77 -15.420 -12.628 -4.153 1.00 0.00 C ATOM 1216 CD GLU A 77 -15.093 -12.840 -5.618 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -14.132 -12.212 -6.109 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -15.801 -13.633 -6.275 1.00 0.00 O ATOM 0 H GLU A 77 -14.700 -12.039 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.399 -14.159 -2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.682 -13.071 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.390 -14.466 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.486 -12.793 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.215 -11.592 -3.885 1.00 0.00 H new ATOM 1225 N GLY A 78 -13.665 -14.874 -0.512 1.00 0.00 N ATOM 1226 CA GLY A 78 -12.968 -15.956 0.158 1.00 0.00 C ATOM 1227 C GLY A 78 -11.556 -16.145 -0.362 1.00 0.00 C ATOM 1228 O GLY A 78 -11.026 -17.256 -0.351 1.00 0.00 O ATOM 0 H GLY A 78 -13.288 -13.944 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.934 -15.754 1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.528 -16.882 0.026 1.00 0.00 H new ATOM 1232 N VAL A 79 -10.945 -15.056 -0.819 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.587 -15.107 -1.344 1.00 0.00 C ATOM 1234 C VAL A 79 -8.590 -14.531 -0.344 1.00 0.00 C ATOM 1235 O VAL A 79 -8.244 -13.351 -0.405 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.469 -14.334 -2.672 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -8.104 -14.562 -3.304 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.582 -14.739 -3.625 1.00 0.00 C ATOM 0 H VAL A 79 -11.370 -14.129 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.355 -16.157 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.572 -13.269 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.040 -14.008 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.326 -14.216 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.967 -15.625 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.483 -14.183 -4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.514 -15.807 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.548 -14.517 -3.171 1.00 0.00 H new ATOM 1248 N ALA A 80 -8.132 -15.372 0.577 1.00 0.00 N ATOM 1249 CA ALA A 80 -7.175 -14.947 1.593 1.00 0.00 C ATOM 1250 C ALA A 80 -5.864 -14.498 0.957 1.00 0.00 C ATOM 1251 O ALA A 80 -5.208 -13.578 1.446 1.00 0.00 O ATOM 1252 CB ALA A 80 -6.925 -16.074 2.584 1.00 0.00 C ATOM 0 H ALA A 80 -8.408 -16.352 0.641 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.600 -14.096 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.209 -15.744 3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.862 -16.347 3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.524 -16.940 2.057 1.00 0.00 H new ATOM 1258 N VAL A 81 -5.488 -15.152 -0.138 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.255 -14.820 -0.841 1.00 0.00 C ATOM 1260 C VAL A 81 -4.487 -13.711 -1.861 1.00 0.00 C ATOM 1261 O VAL A 81 -5.542 -13.644 -2.492 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.670 -16.048 -1.561 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -2.290 -15.736 -2.118 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.614 -17.243 -0.620 1.00 0.00 C ATOM 0 H VAL A 81 -6.020 -15.915 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.545 -14.477 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.324 -16.301 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.894 -16.617 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.362 -14.912 -2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.624 -15.455 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.198 -18.102 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.984 -17.002 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.620 -17.482 -0.275 1.00 0.00 H new ATOM 1274 N MET A 82 -3.493 -12.842 -2.019 1.00 0.00 N ATOM 1275 CA MET A 82 -3.588 -11.735 -2.963 1.00 0.00 C ATOM 1276 C MET A 82 -2.428 -11.762 -3.954 1.00 0.00 C ATOM 1277 O MET A 82 -1.263 -11.760 -3.560 1.00 0.00 O ATOM 1278 CB MET A 82 -3.603 -10.400 -2.216 1.00 0.00 C ATOM 1279 CG MET A 82 -4.008 -9.221 -3.085 1.00 0.00 C ATOM 1280 SD MET A 82 -4.938 -7.973 -2.173 1.00 0.00 S ATOM 1281 CE MET A 82 -4.163 -6.473 -2.769 1.00 0.00 C ATOM 0 H MET A 82 -2.613 -12.884 -1.505 1.00 0.00 H new ATOM 0 HA MET A 82 -4.519 -11.844 -3.518 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.290 -10.473 -1.373 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.612 -10.213 -1.803 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.114 -8.764 -3.510 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.610 -9.580 -3.920 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.479 -6.091 -2.011 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.608 -6.688 -3.682 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.929 -5.726 -2.977 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.757 -11.790 -5.241 1.00 0.00 N ATOM 1292 CA LYS A 83 -1.743 -11.818 -6.290 1.00 0.00 C ATOM 1293 C LYS A 83 -1.137 -10.434 -6.498 1.00 0.00 C ATOM 1294 O LYS A 83 -1.710 -9.592 -7.189 1.00 0.00 O ATOM 1295 CB LYS A 83 -2.347 -12.326 -7.600 1.00 0.00 C ATOM 1296 CG LYS A 83 -1.341 -12.423 -8.736 1.00 0.00 C ATOM 1297 CD LYS A 83 -1.006 -13.870 -9.065 1.00 0.00 C ATOM 1298 CE LYS A 83 -0.116 -14.492 -8.001 1.00 0.00 C ATOM 1299 NZ LYS A 83 0.394 -15.828 -8.415 1.00 0.00 N ATOM 0 H LYS A 83 -3.718 -11.794 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.951 -12.498 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.787 -13.309 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.157 -11.661 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.743 -11.932 -9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.430 -11.891 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.927 -14.447 -9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.506 -13.918 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.725 -13.829 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.676 -14.589 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.090 -16.545 -7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.016 -16.068 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.433 -15.806 -8.456 1.00 0.00 H new ATOM 1313 N LEU A 84 0.026 -10.205 -5.895 1.00 0.00 N ATOM 1314 CA LEU A 84 0.709 -8.923 -6.014 1.00 0.00 C ATOM 1315 C LEU A 84 1.914 -9.032 -6.944 1.00 0.00 C ATOM 1316 O LEU A 84 2.739 -9.934 -6.803 1.00 0.00 O ATOM 1317 CB LEU A 84 1.155 -8.427 -4.638 1.00 0.00 C ATOM 1318 CG LEU A 84 0.062 -7.749 -3.809 1.00 0.00 C ATOM 1319 CD1 LEU A 84 0.612 -7.306 -2.461 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.520 -6.564 -4.565 1.00 0.00 C ATOM 0 H LEU A 84 0.514 -10.891 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 84 0.008 -8.206 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.546 -9.273 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.978 -7.724 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.736 -8.471 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.179 -6.826 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.982 -8.174 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.428 -6.600 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.296 -6.093 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.269 -5.841 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.951 -6.908 -5.505 1.00 0.00 H new ATOM 1332 N PHE A 85 2.008 -8.107 -7.892 1.00 0.00 N ATOM 1333 CA PHE A 85 3.112 -8.096 -8.846 1.00 0.00 C ATOM 1334 C PHE A 85 3.162 -9.397 -9.645 1.00 0.00 C ATOM 1335 O PHE A 85 4.206 -9.762 -10.185 1.00 0.00 O ATOM 1336 CB PHE A 85 4.439 -7.882 -8.117 1.00 0.00 C ATOM 1337 CG PHE A 85 4.677 -6.456 -7.708 1.00 0.00 C ATOM 1338 CD1 PHE A 85 5.268 -5.560 -8.585 1.00 0.00 C ATOM 1339 CD2 PHE A 85 4.311 -6.013 -6.448 1.00 0.00 C ATOM 1340 CE1 PHE A 85 5.487 -4.248 -8.213 1.00 0.00 C ATOM 1341 CE2 PHE A 85 4.529 -4.702 -6.069 1.00 0.00 C ATOM 1342 CZ PHE A 85 5.118 -3.818 -6.953 1.00 0.00 C ATOM 0 H PHE A 85 1.332 -7.354 -8.021 1.00 0.00 H new ATOM 0 HA PHE A 85 2.947 -7.273 -9.541 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.463 -8.515 -7.230 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.255 -8.207 -8.762 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.561 -5.892 -9.570 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.850 -6.700 -5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.946 -3.559 -8.906 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.239 -4.369 -5.083 1.00 0.00 H new ATOM 0 HZ PHE A 85 5.290 -2.793 -6.659 1.00 0.00 H new ATOM 1352 N ASP A 86 2.029 -10.091 -9.718 1.00 0.00 N ATOM 1353 CA ASP A 86 1.948 -11.349 -10.455 1.00 0.00 C ATOM 1354 C ASP A 86 3.015 -12.332 -9.982 1.00 0.00 C ATOM 1355 O ASP A 86 3.510 -13.147 -10.761 1.00 0.00 O ATOM 1356 CB ASP A 86 2.101 -11.095 -11.956 1.00 0.00 C ATOM 1357 CG ASP A 86 0.927 -10.333 -12.536 1.00 0.00 C ATOM 1358 OD1 ASP A 86 0.395 -9.443 -11.840 1.00 0.00 O ATOM 1359 OD2 ASP A 86 0.539 -10.626 -13.687 1.00 0.00 O ATOM 0 H ASP A 86 1.156 -9.804 -9.276 1.00 0.00 H new ATOM 0 HA ASP A 86 0.969 -11.788 -10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.019 -10.534 -12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.204 -12.048 -12.474 1.00 0.00 H new ATOM 1364 N ARG A 87 3.366 -12.249 -8.703 1.00 0.00 N ATOM 1365 CA ARG A 87 4.375 -13.133 -8.130 1.00 0.00 C ATOM 1366 C ARG A 87 4.256 -13.181 -6.610 1.00 0.00 C ATOM 1367 O ARG A 87 3.814 -14.180 -6.044 1.00 0.00 O ATOM 1368 CB ARG A 87 5.777 -12.666 -8.528 1.00 0.00 C ATOM 1369 CG ARG A 87 6.291 -13.309 -9.807 1.00 0.00 C ATOM 1370 CD ARG A 87 7.786 -13.092 -9.974 1.00 0.00 C ATOM 1371 NE ARG A 87 8.379 -14.059 -10.896 1.00 0.00 N ATOM 1372 CZ ARG A 87 8.305 -13.962 -12.221 1.00 0.00 C ATOM 1373 NH1 ARG A 87 7.664 -12.944 -12.784 1.00 0.00 N ATOM 1374 NH2 ARG A 87 8.873 -14.885 -12.986 1.00 0.00 N ATOM 0 H ARG A 87 2.968 -11.580 -8.044 1.00 0.00 H new ATOM 0 HA ARG A 87 4.208 -14.136 -8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.769 -11.583 -8.653 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.469 -12.888 -7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.076 -14.378 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.763 -12.891 -10.664 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.967 -12.082 -10.342 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.275 -13.170 -9.003 1.00 0.00 H new ATOM 0 HE ARG A 87 8.879 -14.855 -10.500 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.226 -12.232 -12.200 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.610 -12.874 -13.800 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.366 -15.669 -12.558 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.816 -14.811 -14.002 1.00 0.00 H new ATOM 1388 N ALA A 88 4.655 -12.095 -5.955 1.00 0.00 N ATOM 1389 CA ALA A 88 4.595 -12.012 -4.501 1.00 0.00 C ATOM 1390 C ALA A 88 3.168 -12.203 -3.998 1.00 0.00 C ATOM 1391 O ALA A 88 2.238 -11.554 -4.479 1.00 0.00 O ATOM 1392 CB ALA A 88 5.151 -10.679 -4.027 1.00 0.00 C ATOM 0 H ALA A 88 5.024 -11.260 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 88 5.206 -12.815 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.100 -10.630 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.189 -10.583 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.563 -9.867 -4.455 1.00 0.00 H new ATOM 1398 N LYS A 89 3.002 -13.093 -3.027 1.00 0.00 N ATOM 1399 CA LYS A 89 1.689 -13.368 -2.455 1.00 0.00 C ATOM 1400 C LYS A 89 1.605 -12.863 -1.019 1.00 0.00 C ATOM 1401 O LYS A 89 2.489 -13.128 -0.206 1.00 0.00 O ATOM 1402 CB LYS A 89 1.393 -14.869 -2.500 1.00 0.00 C ATOM 1403 CG LYS A 89 0.864 -15.345 -3.843 1.00 0.00 C ATOM 1404 CD LYS A 89 0.435 -16.802 -3.788 1.00 0.00 C ATOM 1405 CE LYS A 89 1.485 -17.716 -4.397 1.00 0.00 C ATOM 1406 NZ LYS A 89 1.397 -17.751 -5.884 1.00 0.00 N ATOM 0 H LYS A 89 3.762 -13.638 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 89 0.943 -12.841 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.304 -15.418 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.665 -15.111 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.018 -14.726 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.635 -15.220 -4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.257 -17.091 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.508 -16.925 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.477 -17.377 -4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.361 -18.724 -4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.130 -18.386 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.459 -18.099 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.541 -16.793 -6.263 1.00 0.00 H new ATOM 1420 N VAL A 90 0.535 -12.135 -0.714 1.00 0.00 N ATOM 1421 CA VAL A 90 0.337 -11.593 0.625 1.00 0.00 C ATOM 1422 C VAL A 90 -1.038 -11.962 1.170 1.00 0.00 C ATOM 1423 O VAL A 90 -2.007 -12.070 0.418 1.00 0.00 O ATOM 1424 CB VAL A 90 0.488 -10.060 0.639 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.493 -9.536 2.066 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.751 -9.640 -0.096 1.00 0.00 C ATOM 0 H VAL A 90 -0.207 -11.907 -1.376 1.00 0.00 H new ATOM 0 HA VAL A 90 1.106 -12.032 1.260 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.367 -9.625 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.601 -8.451 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.444 -9.803 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.326 -9.978 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.840 -8.554 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.620 -10.085 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.700 -9.980 -1.130 1.00 0.00 H new ATOM 1436 N ASN A 91 -1.117 -12.153 2.482 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.374 -12.509 3.129 1.00 0.00 C ATOM 1438 C ASN A 91 -3.263 -11.282 3.302 1.00 0.00 C ATOM 1439 O ASN A 91 -2.880 -10.314 3.957 1.00 0.00 O ATOM 1440 CB ASN A 91 -2.105 -13.155 4.489 1.00 0.00 C ATOM 1441 CG ASN A 91 -3.321 -13.877 5.038 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -4.271 -14.161 4.307 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -3.297 -14.179 6.331 1.00 0.00 N ATOM 0 H ASN A 91 -0.325 -12.067 3.119 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.894 -13.224 2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.279 -13.860 4.396 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.791 -12.388 5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.086 -14.665 6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.489 -13.925 6.899 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.452 -11.329 2.709 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.395 -10.221 2.798 1.00 0.00 C ATOM 1452 C VAL A 92 -5.964 -10.096 4.207 1.00 0.00 C ATOM 1453 O VAL A 92 -6.304 -9.001 4.655 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.558 -10.390 1.800 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.444 -9.154 1.797 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -6.027 -10.676 0.403 1.00 0.00 C ATOM 0 H VAL A 92 -4.785 -12.123 2.162 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.842 -9.315 2.550 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.161 -11.241 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.259 -9.292 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.855 -8.998 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.854 -8.284 1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.863 -10.792 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.399 -9.848 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.439 -11.593 0.418 1.00 0.00 H new ATOM 1466 N ASN A 93 -6.067 -11.225 4.901 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.596 -11.241 6.260 1.00 0.00 C ATOM 1468 C ASN A 93 -5.664 -10.510 7.221 1.00 0.00 C ATOM 1469 O ASN A 93 -6.107 -9.929 8.210 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.804 -12.683 6.730 1.00 0.00 C ATOM 1471 CG ASN A 93 -8.079 -12.851 7.533 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -8.055 -13.345 8.660 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -9.202 -12.440 6.955 1.00 0.00 N ATOM 0 H ASN A 93 -5.791 -12.140 4.545 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.555 -10.724 6.254 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.834 -13.344 5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.952 -12.991 7.337 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.091 -12.528 7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.175 -12.036 6.019 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.368 -10.547 6.924 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.374 -9.890 7.764 1.00 0.00 C ATOM 1482 C LEU A 94 -2.907 -8.578 7.140 1.00 0.00 C ATOM 1483 O LEU A 94 -2.529 -7.643 7.845 1.00 0.00 O ATOM 1484 CB LEU A 94 -2.175 -10.814 7.989 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.473 -12.072 8.807 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -1.248 -12.972 8.866 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -2.932 -11.699 10.208 1.00 0.00 C ATOM 0 H LEU A 94 -3.983 -11.024 6.109 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.841 -9.667 8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.780 -11.115 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.390 -10.250 8.492 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.277 -12.620 8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.478 -13.862 9.452 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.964 -13.266 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.423 -12.434 9.333 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.140 -12.606 10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.149 -11.129 10.708 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.837 -11.095 10.146 1.00 0.00 H new ATOM 1499 N LEU A 95 -2.936 -8.516 5.812 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.514 -7.319 5.093 1.00 0.00 C ATOM 1501 C LEU A 95 -3.339 -6.107 5.518 1.00 0.00 C ATOM 1502 O LEU A 95 -2.796 -5.028 5.759 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.643 -7.532 3.584 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.281 -6.321 2.725 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -0.851 -5.883 2.994 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.475 -6.638 1.249 1.00 0.00 C ATOM 0 H LEU A 95 -3.247 -9.280 5.213 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.469 -7.129 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.005 -8.367 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.669 -7.823 3.360 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.946 -5.499 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.612 -5.020 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.744 -5.615 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.170 -6.700 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.213 -5.765 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.835 -7.475 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.517 -6.902 1.067 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.651 -6.293 5.608 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.550 -5.214 6.003 1.00 0.00 C ATOM 1520 C ILE A 96 -5.487 -4.968 7.507 1.00 0.00 C ATOM 1521 O ILE A 96 -5.643 -3.837 7.968 1.00 0.00 O ATOM 1522 CB ILE A 96 -7.007 -5.523 5.607 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.079 -5.957 4.142 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -7.890 -4.308 5.848 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.352 -6.701 3.796 1.00 0.00 C ATOM 0 H ILE A 96 -5.116 -7.180 5.413 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.219 -4.319 5.476 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.371 -6.342 6.228 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.998 -5.076 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.223 -6.593 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.916 -4.542 5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.858 -4.039 6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.529 -3.472 5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.336 -6.979 2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.425 -7.601 4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.212 -6.060 3.989 1.00 0.00 H new ATOM 1537 N PHE A 97 -5.259 -6.034 8.267 1.00 0.00 N ATOM 1538 CA PHE A 97 -5.177 -5.935 9.721 1.00 0.00 C ATOM 1539 C PHE A 97 -4.076 -4.968 10.141 1.00 0.00 C ATOM 1540 O PHE A 97 -4.282 -4.111 11.000 1.00 0.00 O ATOM 1541 CB PHE A 97 -4.922 -7.313 10.332 1.00 0.00 C ATOM 1542 CG PHE A 97 -4.955 -7.320 11.834 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -6.153 -7.164 12.514 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -3.791 -7.483 12.565 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -6.186 -7.170 13.895 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -3.817 -7.489 13.947 1.00 0.00 C ATOM 1547 CZ PHE A 97 -5.018 -7.333 14.613 1.00 0.00 C ATOM 0 H PHE A 97 -5.128 -6.977 7.901 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.129 -5.552 10.088 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.670 -8.012 9.957 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.951 -7.676 9.996 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.070 -7.036 11.958 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.850 -7.607 12.049 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.126 -7.047 14.413 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.901 -7.615 14.505 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.043 -7.339 15.693 1.00 0.00 H new ATOM 1557 N LEU A 98 -2.904 -5.111 9.531 1.00 0.00 N ATOM 1558 CA LEU A 98 -1.768 -4.251 9.843 1.00 0.00 C ATOM 1559 C LEU A 98 -2.103 -2.786 9.579 1.00 0.00 C ATOM 1560 O LEU A 98 -1.957 -1.937 10.457 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.547 -4.663 9.018 1.00 0.00 C ATOM 1562 CG LEU A 98 0.803 -4.278 9.623 1.00 0.00 C ATOM 1563 CD1 LEU A 98 1.054 -5.054 10.906 1.00 0.00 C ATOM 1564 CD2 LEU A 98 1.923 -4.523 8.622 1.00 0.00 C ATOM 0 H LEU A 98 -2.716 -5.815 8.817 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.539 -4.367 10.902 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.570 -5.744 8.878 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.627 -4.212 8.029 1.00 0.00 H new ATOM 0 HG LEU A 98 0.782 -3.215 9.864 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.020 -4.767 11.322 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.267 -4.830 11.626 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.055 -6.123 10.691 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.877 -4.244 9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.944 -5.579 8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.751 -3.922 7.729 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.551 -2.498 8.361 1.00 0.00 N ATOM 1577 CA LEU A 99 -2.905 -1.135 7.978 1.00 0.00 C ATOM 1578 C LEU A 99 -4.033 -0.596 8.855 1.00 0.00 C ATOM 1579 O LEU A 99 -4.117 0.606 9.104 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.320 -1.088 6.507 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.345 -1.757 5.537 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -2.834 -1.609 4.102 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -0.952 -1.165 5.692 1.00 0.00 C ATOM 0 H LEU A 99 -2.678 -3.190 7.622 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.027 -0.505 8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.295 -1.565 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.443 -0.046 6.213 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.296 -2.820 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.128 -2.091 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.812 -2.079 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.912 -0.551 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.270 -1.652 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.985 -0.096 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.601 -1.322 6.712 1.00 0.00 H new ATOM 1595 N ASN A 100 -4.897 -1.495 9.317 1.00 0.00 N ATOM 1596 CA ASN A 100 -6.022 -1.110 10.163 1.00 0.00 C ATOM 1597 C ASN A 100 -5.546 -0.398 11.426 1.00 0.00 C ATOM 1598 O ASN A 100 -6.282 0.389 12.021 1.00 0.00 O ATOM 1599 CB ASN A 100 -6.847 -2.341 10.541 1.00 0.00 C ATOM 1600 CG ASN A 100 -8.321 -2.023 10.698 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -8.734 -1.407 11.681 1.00 0.00 O ATOM 1602 ND2 ASN A 100 -9.124 -2.444 9.727 1.00 0.00 N ATOM 0 H ASN A 100 -4.840 -2.494 9.120 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.645 -0.419 9.595 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.723 -3.107 9.776 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.467 -2.758 11.474 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.126 -2.260 9.778 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.739 -2.951 8.930 1.00 0.00 H new ATOM 1609 N LYS A 101 -4.312 -0.680 11.836 1.00 0.00 N ATOM 1610 CA LYS A 101 -3.746 -0.066 13.031 1.00 0.00 C ATOM 1611 C LYS A 101 -2.592 0.872 12.680 1.00 0.00 C ATOM 1612 O LYS A 101 -2.270 1.785 13.440 1.00 0.00 O ATOM 1613 CB LYS A 101 -3.263 -1.147 14.002 1.00 0.00 C ATOM 1614 CG LYS A 101 -3.769 -0.956 15.423 1.00 0.00 C ATOM 1615 CD LYS A 101 -2.660 -1.160 16.444 1.00 0.00 C ATOM 1616 CE LYS A 101 -2.023 0.160 16.846 1.00 0.00 C ATOM 1617 NZ LYS A 101 -2.798 0.850 17.914 1.00 0.00 N ATOM 0 H LYS A 101 -3.687 -1.329 11.358 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.529 0.523 13.508 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.586 -2.122 13.638 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.173 -1.155 14.011 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.184 0.046 15.531 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.579 -1.659 15.619 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.064 -1.654 17.328 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.899 -1.821 16.029 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.006 -0.019 17.194 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.951 0.809 15.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.330 1.746 18.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.761 1.045 17.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.845 0.242 18.757 1.00 0.00 H new ATOM 1631 N LYS A 102 -1.972 0.642 11.527 1.00 0.00 N ATOM 1632 CA LYS A 102 -0.853 1.467 11.083 1.00 0.00 C ATOM 1633 C LYS A 102 -1.341 2.775 10.466 1.00 0.00 C ATOM 1634 O LYS A 102 -1.270 3.833 11.093 1.00 0.00 O ATOM 1635 CB LYS A 102 0.003 0.700 10.073 1.00 0.00 C ATOM 1636 CG LYS A 102 0.824 -0.417 10.694 1.00 0.00 C ATOM 1637 CD LYS A 102 1.931 0.131 11.581 1.00 0.00 C ATOM 1638 CE LYS A 102 3.226 -0.645 11.399 1.00 0.00 C ATOM 1639 NZ LYS A 102 4.134 -0.493 12.570 1.00 0.00 N ATOM 0 H LYS A 102 -2.225 -0.108 10.883 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.247 1.708 11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.646 0.279 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.675 1.399 9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.173 -1.065 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.259 -1.032 9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.099 1.182 11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.620 0.083 12.625 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.999 -1.701 11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.733 -0.298 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.122 -0.584 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.992 0.443 13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.923 -1.232 13.271 1.00 0.00 H new ATOM 1653 N PHE A 103 -1.829 2.696 9.232 1.00 0.00 N ATOM 1654 CA PHE A 103 -2.321 3.876 8.527 1.00 0.00 C ATOM 1655 C PHE A 103 -3.682 4.313 9.061 1.00 0.00 C ATOM 1656 O PHE A 103 -3.917 5.500 9.286 1.00 0.00 O ATOM 1657 CB PHE A 103 -2.414 3.594 7.026 1.00 0.00 C ATOM 1658 CG PHE A 103 -1.080 3.371 6.374 1.00 0.00 C ATOM 1659 CD1 PHE A 103 -0.432 2.152 6.490 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -0.472 4.382 5.647 1.00 0.00 C ATOM 1661 CE1 PHE A 103 0.796 1.944 5.893 1.00 0.00 C ATOM 1662 CE2 PHE A 103 0.756 4.180 5.047 1.00 0.00 C ATOM 1663 CZ PHE A 103 1.391 2.959 5.170 1.00 0.00 C ATOM 0 H PHE A 103 -1.895 1.829 8.699 1.00 0.00 H new ATOM 0 HA PHE A 103 -1.613 4.687 8.697 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.038 2.715 6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -2.913 4.431 6.537 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.893 1.355 7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.964 5.339 5.548 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.290 0.989 5.991 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.219 4.976 4.482 1.00 0.00 H new ATOM 0 HZ PHE A 103 2.351 2.799 4.702 1.00 0.00 H new ATOM 1673 N TYR A 104 -4.576 3.349 9.259 1.00 0.00 N ATOM 1674 CA TYR A 104 -5.914 3.640 9.763 1.00 0.00 C ATOM 1675 C TYR A 104 -5.849 4.410 11.079 1.00 0.00 C ATOM 1676 O TYR A 104 -5.387 3.888 12.093 1.00 0.00 O ATOM 1677 CB TYR A 104 -6.705 2.343 9.952 1.00 0.00 C ATOM 1678 CG TYR A 104 -7.980 2.288 9.142 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -9.166 2.817 9.640 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -8.001 1.708 7.880 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -10.333 2.769 8.904 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -9.165 1.658 7.136 1.00 0.00 C ATOM 1683 CZ TYR A 104 -10.328 2.188 7.653 1.00 0.00 C ATOM 1684 OH TYR A 104 -11.490 2.138 6.916 1.00 0.00 O ATOM 0 H TYR A 104 -4.399 2.361 9.078 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.423 4.263 9.027 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.073 1.499 9.677 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.950 2.227 11.008 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -9.174 3.273 10.619 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.093 1.289 7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -11.245 3.184 9.306 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.163 1.206 6.155 1.00 0.00 H new ATOM 0 HH TYR A 104 -11.315 1.698 6.058 1.00 0.00 H new ATOM 1694 N GLY A 105 -6.315 5.655 11.054 1.00 0.00 N ATOM 1695 CA GLY A 105 -6.301 6.477 12.249 1.00 0.00 C ATOM 1696 C GLY A 105 -7.026 7.794 12.054 1.00 0.00 C ATOM 1697 O GLY A 105 -7.877 8.168 12.862 1.00 0.00 O ATOM 0 H GLY A 105 -6.702 6.109 10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.764 5.929 13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.269 6.673 12.539 1.00 0.00 H new ATOM 1701 N LYS A 106 -6.688 8.500 10.979 1.00 0.00 N ATOM 1702 CA LYS A 106 -7.313 9.784 10.679 1.00 0.00 C ATOM 1703 C LYS A 106 -7.088 10.777 11.816 1.00 0.00 C ATOM 1704 O LYS A 106 -7.761 10.719 12.846 1.00 0.00 O ATOM 1705 CB LYS A 106 -8.812 9.599 10.429 1.00 0.00 C ATOM 1706 CG LYS A 106 -9.260 10.063 9.054 1.00 0.00 C ATOM 1707 CD LYS A 106 -10.716 10.501 9.060 1.00 0.00 C ATOM 1708 CE LYS A 106 -11.270 10.614 7.649 1.00 0.00 C ATOM 1709 NZ LYS A 106 -12.731 10.897 7.647 1.00 0.00 N ATOM 0 H LYS A 106 -5.985 8.205 10.301 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.851 10.185 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.065 8.545 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.369 10.148 11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.631 10.891 8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.125 9.255 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.310 9.786 9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.806 11.463 9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.746 11.407 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.079 9.687 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.070 10.967 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.234 10.128 8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.911 11.795 8.140 1.00 0.00 H new ATOM 1723 N SER A 107 -6.139 11.687 11.622 1.00 0.00 N ATOM 1724 CA SER A 107 -5.826 12.692 12.631 1.00 0.00 C ATOM 1725 C SER A 107 -5.186 13.921 11.993 1.00 0.00 C ATOM 1726 O SER A 107 -5.661 15.044 12.172 1.00 0.00 O ATOM 1727 CB SER A 107 -4.891 12.107 13.691 1.00 0.00 C ATOM 1728 OG SER A 107 -5.217 12.590 14.981 1.00 0.00 O ATOM 0 H SER A 107 -5.574 11.749 10.775 1.00 0.00 H new ATOM 0 HA SER A 107 -6.758 12.996 13.108 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.958 11.019 13.679 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.859 12.365 13.453 1.00 0.00 H new ATOM 0 HG SER A 107 -4.606 12.200 15.640 1.00 0.00 H new ATOM 1734 N GLY A 108 -4.107 13.702 11.249 1.00 0.00 N ATOM 1735 CA GLY A 108 -3.421 14.801 10.597 1.00 0.00 C ATOM 1736 C GLY A 108 -2.408 14.327 9.571 1.00 0.00 C ATOM 1737 O GLY A 108 -1.207 14.315 9.842 1.00 0.00 O ATOM 0 H GLY A 108 -3.696 12.783 11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -4.154 15.444 10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.915 15.407 11.349 1.00 0.00 H new ATOM 1741 N PRO A 109 -2.866 13.925 8.373 1.00 0.00 N ATOM 1742 CA PRO A 109 -1.978 13.447 7.308 1.00 0.00 C ATOM 1743 C PRO A 109 -1.129 14.568 6.716 1.00 0.00 C ATOM 1744 O PRO A 109 -1.104 15.682 7.236 1.00 0.00 O ATOM 1745 CB PRO A 109 -2.944 12.897 6.258 1.00 0.00 C ATOM 1746 CG PRO A 109 -4.214 13.641 6.484 1.00 0.00 C ATOM 1747 CD PRO A 109 -4.282 13.904 7.963 1.00 0.00 C ATOM 0 HA PRO A 109 -1.263 12.711 7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.565 13.058 5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.088 11.823 6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -4.225 14.574 5.921 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -5.073 13.058 6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -4.777 14.850 8.180 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -4.839 13.126 8.484 1.00 0.00 H new ATOM 1755 N SER A 110 -0.435 14.262 5.623 1.00 0.00 N ATOM 1756 CA SER A 110 0.414 15.245 4.959 1.00 0.00 C ATOM 1757 C SER A 110 0.243 15.176 3.445 1.00 0.00 C ATOM 1758 O SER A 110 -0.465 14.312 2.929 1.00 0.00 O ATOM 1759 CB SER A 110 1.881 15.016 5.330 1.00 0.00 C ATOM 1760 OG SER A 110 2.568 16.246 5.475 1.00 0.00 O ATOM 0 H SER A 110 -0.444 13.343 5.180 1.00 0.00 H new ATOM 0 HA SER A 110 0.112 16.237 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.940 14.451 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 110 2.364 14.414 4.560 1.00 0.00 H new ATOM 0 HG SER A 110 3.503 16.073 5.714 1.00 0.00 H new ATOM 1766 N SER A 111 0.897 16.094 2.740 1.00 0.00 N ATOM 1767 CA SER A 111 0.818 16.138 1.285 1.00 0.00 C ATOM 1768 C SER A 111 1.753 15.108 0.658 1.00 0.00 C ATOM 1769 O SER A 111 1.336 14.295 -0.164 1.00 0.00 O ATOM 1770 CB SER A 111 1.164 17.540 0.777 1.00 0.00 C ATOM 1771 OG SER A 111 -0.008 18.270 0.457 1.00 0.00 O ATOM 0 H SER A 111 1.487 16.817 3.153 1.00 0.00 H new ATOM 0 HA SER A 111 -0.204 15.897 0.993 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.734 18.075 1.537 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.801 17.464 -0.104 1.00 0.00 H new ATOM 0 HG SER A 111 0.240 19.162 0.137 1.00 0.00 H new ATOM 1777 N GLY A 112 3.021 15.152 1.053 1.00 0.00 N ATOM 1778 CA GLY A 112 3.997 14.218 0.521 1.00 0.00 C ATOM 1779 C GLY A 112 5.332 14.875 0.233 1.00 0.00 C ATOM 1780 O GLY A 112 6.309 14.143 -0.032 1.00 0.00 O ATOM 1781 OXT GLY A 112 5.402 16.122 0.272 1.00 0.00 O ATOM 0 H GLY A 112 3.391 15.818 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.142 13.405 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.609 13.775 -0.396 1.00 0.00 H new TER 1785 GLY A 112