USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1067 hydrogens (84 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 NoAdj-H: A 201 GCH H43 : A 201 GCH O4 : A 201 GCH C24 :(short bond) USER MOD NoAdj-H: A 202 CHO HOT : A 202 CHO OT2 : A 202 CHO C27 :(short bond) USER MOD Set 1.1: A 113 THR OG1 : rot 180:sc= 0.0157 USER MOD Set 1.2: A 118 THR OG1 : rot -57:sc= 0.0191 USER MOD Set 2.1: A 97 TYR OH : rot -146:sc= 1.28 USER MOD Set 2.2: A 99 GLN : amide:sc= -0.462 K(o=2.6,f=0.93!) USER MOD Set 2.3: A 101 SER OG : rot 166:sc= 0.318 USER MOD Set 2.4: A 112 SER OG : rot 147:sc= 0.786 USER MOD Set 2.5: A 201 GCH O1 : rot -157:sc= 0.54 USER MOD Set 2.6: A 202 CHO O3 : rot -64:sc= 0.182 USER MOD Set 3.1: A 93 ASN : amide:sc= 1 K(o=2,f=-2.4) USER MOD Set 3.2: A 98 HIS : no HE2:sc= 0.971 K(o=2,f=-6.7!) USER MOD Set 3.3: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 18 MET CE :methyl 155:sc= -0.004 (180deg=-0.618) USER MOD Set 4.2: A 51 GLN : amide:sc= -1.03! C(o=-2.6!,f=-6.9!) USER MOD Set 4.3: A 59 MET CE :methyl -119:sc= -0.113 (180deg=-2.42!) USER MOD Set 4.4: A 61 ASN : amide:sc= 0.907 K(o=-2.6,f=-5.8) USER MOD Set 4.5: A 74 MET CE :methyl 162:sc= -3.3 (180deg=-3.93!) USER MOD Set 4.6: A 201 GCH O3 : rot 106:sc= 0.987 USER MOD Set 5.1: A 72 GLN : amide:sc= 0.429 X(o=0.94,f=1.3) USER MOD Set 5.2: A 78 THR OG1 : rot 180:sc= 0.511 USER MOD Set 6.1: A 52 HIS : no HD1:sc= 0.828 K(o=2.1,f=-9.7!) USER MOD Set 6.2: A 58 THR OG1 : rot -76:sc= 1.3 USER MOD Set 7.1: A 35 LYS NZ :NH3+ 160:sc= 0.322 (180deg=-0.525) USER MOD Set 7.2: A 54 SER OG : rot 105:sc= 0.0168 USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.159 (180deg=0.0144) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0502 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc=-0.00785 (180deg=-0.00785) USER MOD Single : A 10 SER OG : rot 21:sc= 1.95 USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= -0.0473 (180deg=-0.266) USER MOD Single : A 13 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.32) USER MOD Single : A 14 TYR OH : rot 170:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 1.08 (180deg=1.05) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.987 K(o=0.99,f=-0.12) USER MOD Single : A 38 THR OG1 : rot -40:sc= -1.23 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 42 GLN : amide:sc= -0.765 K(o=-0.76,f=-5.8!) USER MOD Single : A 45 GLN : amide:sc= -0.0791 K(o=-0.079,f=-2.8!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -134:sc= 1.21 USER MOD Single : A 57 HIS : no HE2:sc= -0.574 K(o=-0.57,f=-2.5) USER MOD Single : A 60 THR OG1 : rot 21:sc= 0.0539! USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -0.0117 (180deg=-0.24) USER MOD Single : A 64 THR OG1 : rot -63:sc= 1.3 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 73 THR OG1 : rot 166:sc= 1.62 USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= 0.981 (180deg=0.909) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Single : A 85 MET CE :methyl 176:sc= 0 (180deg=-0.0121) USER MOD Single : A 89 LYS NZ :NH3+ -144:sc= 1.06 (180deg=-1.25!) USER MOD Single : A 96 ASN : amide:sc= -0.152 K(o=-0.15,f=-8.3!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot -133:sc= 1.15 USER MOD Single : A 123 SER OG : rot 180:sc= -0.411 USER MOD Single : A 124 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.09) USER MOD Single : A 201 GCH O : rot -45:sc= -0.0919 USER MOD Single : A 202 CHO O7 : rot 23:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.117 10.864 13.721 1.00 0.66 N ATOM 2 CA ALA A 1 -23.892 11.602 14.765 1.00 0.48 C ATOM 3 C ALA A 1 -23.382 13.036 14.533 1.00 0.53 C ATOM 4 O ALA A 1 -22.217 13.266 14.282 1.00 1.01 O ATOM 5 CB ALA A 1 -23.552 11.189 16.181 1.00 0.50 C ATOM 0 H1 ALA A 1 -22.798 9.952 14.105 1.00 0.66 H new ATOM 0 H2 ALA A 1 -23.723 10.698 12.892 1.00 0.66 H new ATOM 0 H3 ALA A 1 -22.291 11.429 13.438 1.00 0.66 H new ATOM 0 HA ALA A 1 -24.966 11.437 14.679 1.00 0.48 H new ATOM 0 HB1 ALA A 1 -24.153 11.767 16.883 1.00 0.50 H new ATOM 0 HB2 ALA A 1 -23.763 10.127 16.311 1.00 0.50 H new ATOM 0 HB3 ALA A 1 -22.495 11.375 16.370 1.00 0.50 H new ATOM 13 N PHE A 2 -24.287 14.018 14.466 1.00 0.29 N ATOM 14 CA PHE A 2 -23.933 15.423 14.166 1.00 0.26 C ATOM 15 C PHE A 2 -23.399 16.268 15.345 1.00 0.27 C ATOM 16 O PHE A 2 -23.178 17.464 15.195 1.00 0.36 O ATOM 17 CB PHE A 2 -25.086 16.135 13.451 1.00 0.26 C ATOM 18 CG PHE A 2 -25.463 15.650 12.066 1.00 0.25 C ATOM 19 CD1 PHE A 2 -26.362 14.578 11.895 1.00 0.24 C ATOM 20 CD2 PHE A 2 -25.053 16.390 10.947 1.00 0.27 C ATOM 21 CE1 PHE A 2 -26.859 14.267 10.619 1.00 0.25 C ATOM 22 CE2 PHE A 2 -25.577 16.101 9.678 1.00 0.27 C ATOM 23 CZ PHE A 2 -26.482 15.044 9.513 1.00 0.25 C ATOM 0 H PHE A 2 -25.285 13.869 14.617 1.00 0.29 H new ATOM 0 HA PHE A 2 -23.073 15.341 13.502 1.00 0.26 H new ATOM 0 HB2 PHE A 2 -25.970 16.061 14.084 1.00 0.26 H new ATOM 0 HB3 PHE A 2 -24.833 17.193 13.379 1.00 0.26 H new ATOM 0 HD1 PHE A 2 -26.670 13.993 12.749 1.00 0.24 H new ATOM 0 HD2 PHE A 2 -24.331 17.185 11.063 1.00 0.27 H new ATOM 0 HE1 PHE A 2 -27.530 13.431 10.489 1.00 0.25 H new ATOM 0 HE2 PHE A 2 -25.282 16.695 8.826 1.00 0.27 H new ATOM 0 HZ PHE A 2 -26.889 14.828 8.536 1.00 0.25 H new ATOM 33 N THR A 3 -23.382 15.681 16.544 1.00 0.23 N ATOM 34 CA THR A 3 -22.830 16.219 17.842 1.00 0.22 C ATOM 35 C THR A 3 -21.716 17.311 17.734 1.00 0.23 C ATOM 36 O THR A 3 -20.832 17.198 16.899 1.00 0.27 O ATOM 37 CB THR A 3 -22.239 15.019 18.601 1.00 0.26 C ATOM 38 OG1 THR A 3 -23.167 13.941 18.645 1.00 0.27 O ATOM 39 CG2 THR A 3 -21.835 15.361 20.054 1.00 0.27 C ATOM 0 H THR A 3 -23.776 14.749 16.669 1.00 0.23 H new ATOM 0 HA THR A 3 -23.663 16.718 18.338 1.00 0.22 H new ATOM 0 HB THR A 3 -21.342 14.737 18.049 1.00 0.26 H new ATOM 0 HG1 THR A 3 -22.771 13.188 19.131 1.00 0.27 H new ATOM 0 HG21 THR A 3 -21.425 14.474 20.536 1.00 0.27 H new ATOM 0 HG22 THR A 3 -21.083 16.150 20.046 1.00 0.27 H new ATOM 0 HG23 THR A 3 -22.712 15.701 20.605 1.00 0.27 H new ATOM 47 N GLY A 4 -21.726 18.383 18.582 1.00 0.22 N ATOM 48 CA GLY A 4 -20.643 19.376 18.590 1.00 0.25 C ATOM 49 C GLY A 4 -21.253 20.760 18.614 1.00 0.26 C ATOM 50 O GLY A 4 -22.461 20.779 18.716 1.00 0.46 O ATOM 0 H GLY A 4 -22.469 18.567 19.256 1.00 0.22 H new ATOM 0 HA2 GLY A 4 -20.003 19.230 19.460 1.00 0.25 H new ATOM 0 HA3 GLY A 4 -20.014 19.256 17.708 1.00 0.25 H new ATOM 54 N LYS A 5 -20.510 21.893 18.567 1.00 0.24 N ATOM 55 CA LYS A 5 -21.131 23.216 18.564 1.00 0.23 C ATOM 56 C LYS A 5 -20.634 23.984 17.344 1.00 0.20 C ATOM 57 O LYS A 5 -19.467 24.050 17.032 1.00 0.22 O ATOM 58 CB LYS A 5 -20.781 23.934 19.928 1.00 0.30 C ATOM 59 CG LYS A 5 -21.565 25.299 20.174 1.00 0.36 C ATOM 60 CD LYS A 5 -20.863 26.590 19.868 1.00 0.38 C ATOM 61 CE LYS A 5 -19.968 27.122 21.000 1.00 0.41 C ATOM 62 NZ LYS A 5 -19.721 28.577 20.865 1.00 0.73 N ATOM 0 H LYS A 5 -19.491 21.905 18.531 1.00 0.24 H new ATOM 0 HA LYS A 5 -22.217 23.157 18.491 1.00 0.23 H new ATOM 0 HB2 LYS A 5 -20.998 23.252 20.750 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -19.710 24.135 19.954 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -22.479 25.269 19.580 1.00 0.36 H new ATOM 0 HG3 LYS A 5 -21.866 25.325 21.221 1.00 0.36 H new ATOM 0 HD2 LYS A 5 -20.253 26.453 18.975 1.00 0.38 H new ATOM 0 HD3 LYS A 5 -21.611 27.346 19.629 1.00 0.38 H new ATOM 0 HE2 LYS A 5 -20.439 26.921 21.962 1.00 0.41 H new ATOM 0 HE3 LYS A 5 -19.017 26.589 20.993 1.00 0.41 H new ATOM 0 HZ1 LYS A 5 -19.114 28.900 21.645 1.00 0.73 H new ATOM 0 HZ2 LYS A 5 -19.249 28.766 19.958 1.00 0.73 H new ATOM 0 HZ3 LYS A 5 -20.627 29.087 20.897 1.00 0.73 H new ATOM 76 N PHE A 6 -21.556 24.594 16.614 1.00 0.22 N ATOM 77 CA PHE A 6 -21.341 25.057 15.248 1.00 0.25 C ATOM 78 C PHE A 6 -21.794 26.512 15.117 1.00 0.23 C ATOM 79 O PHE A 6 -22.870 26.869 15.612 1.00 0.27 O ATOM 80 CB PHE A 6 -22.104 24.152 14.269 1.00 0.43 C ATOM 81 CG PHE A 6 -21.816 22.662 14.338 1.00 0.28 C ATOM 82 CD1 PHE A 6 -22.412 21.866 15.332 1.00 0.24 C ATOM 83 CD2 PHE A 6 -21.009 22.054 13.354 1.00 0.30 C ATOM 84 CE1 PHE A 6 -22.157 20.485 15.374 1.00 0.26 C ATOM 85 CE2 PHE A 6 -20.783 20.668 13.381 1.00 0.23 C ATOM 86 CZ PHE A 6 -21.340 19.887 14.407 1.00 0.24 C ATOM 0 H PHE A 6 -22.496 24.786 16.961 1.00 0.22 H new ATOM 0 HA PHE A 6 -20.279 25.007 15.007 1.00 0.25 H new ATOM 0 HB2 PHE A 6 -23.171 24.298 14.434 1.00 0.43 H new ATOM 0 HB3 PHE A 6 -21.889 24.492 13.256 1.00 0.43 H new ATOM 0 HD1 PHE A 6 -23.066 22.316 16.064 1.00 0.24 H new ATOM 0 HD2 PHE A 6 -20.563 22.657 12.577 1.00 0.30 H new ATOM 0 HE1 PHE A 6 -22.593 19.882 16.156 1.00 0.26 H new ATOM 0 HE2 PHE A 6 -20.182 20.203 12.614 1.00 0.23 H new ATOM 0 HZ PHE A 6 -21.138 18.827 14.450 1.00 0.24 H new ATOM 96 N GLU A 7 -21.001 27.349 14.445 1.00 0.25 N ATOM 97 CA GLU A 7 -21.425 28.722 14.145 1.00 0.32 C ATOM 98 C GLU A 7 -21.625 28.852 12.645 1.00 0.32 C ATOM 99 O GLU A 7 -20.785 28.584 11.792 1.00 0.37 O ATOM 100 CB GLU A 7 -20.364 29.755 14.656 1.00 0.44 C ATOM 101 CG GLU A 7 -20.668 31.272 14.314 1.00 1.10 C ATOM 102 CD GLU A 7 -19.927 32.294 15.151 1.00 1.18 C ATOM 103 OE1 GLU A 7 -20.400 32.543 16.288 1.00 1.10 O ATOM 104 OE2 GLU A 7 -18.820 32.712 14.730 1.00 1.98 O ATOM 0 H GLU A 7 -20.072 27.106 14.101 1.00 0.25 H new ATOM 0 HA GLU A 7 -22.362 28.936 14.658 1.00 0.32 H new ATOM 0 HB2 GLU A 7 -20.277 29.655 15.738 1.00 0.44 H new ATOM 0 HB3 GLU A 7 -19.394 29.493 14.233 1.00 0.44 H new ATOM 0 HG2 GLU A 7 -20.427 31.444 13.265 1.00 1.10 H new ATOM 0 HG3 GLU A 7 -21.738 31.444 14.427 1.00 1.10 H new ATOM 111 N MET A 8 -22.799 29.353 12.286 1.00 0.37 N ATOM 112 CA MET A 8 -23.066 29.652 10.849 1.00 0.35 C ATOM 113 C MET A 8 -22.562 30.970 10.361 1.00 0.42 C ATOM 114 O MET A 8 -22.597 31.944 11.046 1.00 0.67 O ATOM 115 CB MET A 8 -24.610 29.637 10.589 1.00 0.39 C ATOM 116 CG MET A 8 -24.987 29.916 9.130 1.00 0.51 C ATOM 117 SD MET A 8 -26.771 29.982 8.792 1.00 0.97 S ATOM 118 CE MET A 8 -27.348 31.532 9.500 1.00 0.35 C ATOM 0 H MET A 8 -23.566 29.561 12.925 1.00 0.37 H new ATOM 0 HA MET A 8 -22.525 28.877 10.307 1.00 0.35 H new ATOM 0 HB2 MET A 8 -25.010 28.666 10.880 1.00 0.39 H new ATOM 0 HB3 MET A 8 -25.085 30.382 11.228 1.00 0.39 H new ATOM 0 HG2 MET A 8 -24.541 30.865 8.831 1.00 0.51 H new ATOM 0 HG3 MET A 8 -24.543 29.143 8.502 1.00 0.51 H new ATOM 0 HE1 MET A 8 -28.420 31.633 9.330 1.00 0.35 H new ATOM 0 HE2 MET A 8 -27.149 31.539 10.572 1.00 0.35 H new ATOM 0 HE3 MET A 8 -26.826 32.364 9.028 1.00 0.35 H new ATOM 128 N GLU A 9 -22.114 31.083 9.073 1.00 0.45 N ATOM 129 CA GLU A 9 -22.140 32.331 8.315 1.00 0.55 C ATOM 130 C GLU A 9 -22.781 32.070 6.958 1.00 0.57 C ATOM 131 O GLU A 9 -22.220 31.311 6.217 1.00 1.27 O ATOM 132 CB GLU A 9 -20.672 32.896 8.110 1.00 1.10 C ATOM 133 CG GLU A 9 -19.821 33.116 9.421 1.00 1.63 C ATOM 134 CD GLU A 9 -18.380 33.477 9.053 1.00 2.20 C ATOM 135 OE1 GLU A 9 -18.105 33.708 7.916 1.00 2.75 O ATOM 136 OE2 GLU A 9 -17.573 33.624 10.027 1.00 2.52 O ATOM 0 H GLU A 9 -21.728 30.297 8.549 1.00 0.45 H new ATOM 0 HA GLU A 9 -22.717 33.071 8.869 1.00 0.55 H new ATOM 0 HB2 GLU A 9 -20.129 32.210 7.460 1.00 1.10 H new ATOM 0 HB3 GLU A 9 -20.742 33.848 7.583 1.00 1.10 H new ATOM 0 HG2 GLU A 9 -20.262 33.911 10.022 1.00 1.63 H new ATOM 0 HG3 GLU A 9 -19.834 32.212 10.030 1.00 1.63 H new ATOM 143 N SER A 10 -24.037 32.474 6.727 1.00 0.59 N ATOM 144 CA SER A 10 -24.771 32.226 5.469 1.00 0.94 C ATOM 145 C SER A 10 -26.066 33.036 5.373 1.00 0.68 C ATOM 146 O SER A 10 -27.088 32.627 5.907 1.00 1.26 O ATOM 147 CB SER A 10 -25.153 30.745 5.318 1.00 1.86 C ATOM 148 OG SER A 10 -24.044 29.956 4.936 1.00 2.52 O ATOM 0 H SER A 10 -24.584 32.990 7.416 1.00 0.59 H new ATOM 0 HA SER A 10 -24.086 32.531 4.678 1.00 0.94 H new ATOM 0 HB2 SER A 10 -25.556 30.375 6.261 1.00 1.86 H new ATOM 0 HB3 SER A 10 -25.943 30.647 4.574 1.00 1.86 H new ATOM 0 HG SER A 10 -23.215 30.423 5.170 1.00 2.52 H new ATOM 154 N GLU A 11 -26.073 34.086 4.560 1.00 0.49 N ATOM 155 CA GLU A 11 -27.270 34.743 4.070 1.00 0.37 C ATOM 156 C GLU A 11 -27.390 34.206 2.603 1.00 0.30 C ATOM 157 O GLU A 11 -26.566 34.559 1.817 1.00 0.40 O ATOM 158 CB GLU A 11 -27.084 36.323 4.105 1.00 0.77 C ATOM 159 CG GLU A 11 -27.208 36.848 5.549 1.00 0.96 C ATOM 160 CD GLU A 11 -26.932 38.344 5.603 1.00 1.37 C ATOM 161 OE1 GLU A 11 -27.448 39.028 4.717 1.00 1.76 O ATOM 162 OE2 GLU A 11 -26.181 38.803 6.529 1.00 1.92 O ATOM 0 H GLU A 11 -25.214 34.515 4.215 1.00 0.49 H new ATOM 0 HA GLU A 11 -28.161 34.540 4.664 1.00 0.37 H new ATOM 0 HB2 GLU A 11 -26.109 36.590 3.697 1.00 0.77 H new ATOM 0 HB3 GLU A 11 -27.835 36.798 3.473 1.00 0.77 H new ATOM 0 HG2 GLU A 11 -28.208 36.644 5.931 1.00 0.96 H new ATOM 0 HG3 GLU A 11 -26.506 36.320 6.195 1.00 0.96 H new ATOM 169 N LYS A 12 -28.546 33.618 2.263 1.00 0.24 N ATOM 170 CA LYS A 12 -28.872 33.132 0.915 1.00 0.23 C ATOM 171 C LYS A 12 -30.396 33.019 0.717 1.00 0.18 C ATOM 172 O LYS A 12 -30.927 31.918 0.743 1.00 0.19 O ATOM 173 CB LYS A 12 -28.128 31.785 0.756 1.00 0.32 C ATOM 174 CG LYS A 12 -28.272 31.004 -0.558 1.00 0.41 C ATOM 175 CD LYS A 12 -27.568 31.665 -1.748 1.00 0.53 C ATOM 176 CE LYS A 12 -27.625 30.769 -2.998 1.00 1.24 C ATOM 177 NZ LYS A 12 -26.922 29.467 -2.811 1.00 1.90 N ATOM 0 H LYS A 12 -29.298 33.464 2.934 1.00 0.24 H new ATOM 0 HA LYS A 12 -28.548 33.826 0.139 1.00 0.23 H new ATOM 0 HB2 LYS A 12 -27.066 31.976 0.910 1.00 0.32 H new ATOM 0 HB3 LYS A 12 -28.455 31.131 1.565 1.00 0.32 H new ATOM 0 HG2 LYS A 12 -27.869 30.001 -0.420 1.00 0.41 H new ATOM 0 HG3 LYS A 12 -29.331 30.893 -0.790 1.00 0.41 H new ATOM 0 HD2 LYS A 12 -28.037 32.625 -1.964 1.00 0.53 H new ATOM 0 HD3 LYS A 12 -26.529 31.869 -1.491 1.00 0.53 H new ATOM 0 HE2 LYS A 12 -28.667 30.580 -3.256 1.00 1.24 H new ATOM 0 HE3 LYS A 12 -27.179 31.299 -3.840 1.00 1.24 H new ATOM 0 HZ1 LYS A 12 -26.784 29.011 -3.735 1.00 1.90 H new ATOM 0 HZ2 LYS A 12 -25.997 29.633 -2.366 1.00 1.90 H new ATOM 0 HZ3 LYS A 12 -27.494 28.848 -2.201 1.00 1.90 H new ATOM 191 N ASN A 13 -31.108 34.136 0.518 1.00 0.18 N ATOM 192 CA ASN A 13 -32.578 34.160 0.327 1.00 0.16 C ATOM 193 C ASN A 13 -33.397 33.721 1.578 1.00 0.17 C ATOM 194 O ASN A 13 -34.511 33.221 1.468 1.00 0.19 O ATOM 195 CB ASN A 13 -32.908 33.410 -0.991 1.00 0.16 C ATOM 196 CG ASN A 13 -34.370 33.449 -1.390 1.00 0.18 C ATOM 197 OD1 ASN A 13 -34.860 34.450 -1.867 1.00 0.24 O ATOM 198 ND2 ASN A 13 -34.965 32.297 -1.599 1.00 0.18 N ATOM 0 H ASN A 13 -30.682 35.062 0.483 1.00 0.18 H new ATOM 0 HA ASN A 13 -32.913 35.192 0.218 1.00 0.16 H new ATOM 0 HB2 ASN A 13 -32.313 33.840 -1.797 1.00 0.16 H new ATOM 0 HB3 ASN A 13 -32.601 32.369 -0.888 1.00 0.16 H new ATOM 0 HD21 ASN A 13 -35.821 32.258 -2.153 1.00 0.18 H new ATOM 0 HD22 ASN A 13 -34.571 31.441 -1.208 1.00 0.18 H new ATOM 205 N TYR A 14 -32.845 33.916 2.782 1.00 0.20 N ATOM 206 CA TYR A 14 -33.396 33.628 4.057 1.00 0.22 C ATOM 207 C TYR A 14 -34.633 34.426 4.258 1.00 0.21 C ATOM 208 O TYR A 14 -35.500 34.142 5.034 1.00 0.24 O ATOM 209 CB TYR A 14 -32.320 33.956 5.160 1.00 0.29 C ATOM 210 CG TYR A 14 -31.908 35.365 5.169 1.00 0.81 C ATOM 211 CD1 TYR A 14 -30.850 35.820 4.410 1.00 1.38 C ATOM 212 CD2 TYR A 14 -32.568 36.275 6.025 1.00 1.82 C ATOM 213 CE1 TYR A 14 -30.576 37.230 4.425 1.00 1.79 C ATOM 214 CE2 TYR A 14 -32.317 37.694 5.994 1.00 2.29 C ATOM 215 CZ TYR A 14 -31.314 38.160 5.153 1.00 1.96 C ATOM 216 OH TYR A 14 -30.964 39.503 5.083 1.00 2.54 O ATOM 0 H TYR A 14 -31.912 34.319 2.865 1.00 0.20 H new ATOM 0 HA TYR A 14 -33.662 32.573 4.128 1.00 0.22 H new ATOM 0 HB2 TYR A 14 -32.723 33.696 6.139 1.00 0.29 H new ATOM 0 HB3 TYR A 14 -31.443 33.329 5.000 1.00 0.29 H new ATOM 0 HD1 TYR A 14 -30.249 35.140 3.825 1.00 1.38 H new ATOM 0 HD2 TYR A 14 -33.290 35.892 6.731 1.00 1.82 H new ATOM 0 HE1 TYR A 14 -29.746 37.591 3.835 1.00 1.79 H new ATOM 0 HE2 TYR A 14 -32.891 38.374 6.606 1.00 2.29 H new ATOM 0 HH TYR A 14 -31.663 40.046 5.503 1.00 2.54 H new ATOM 226 N ASP A 15 -34.640 35.667 3.772 1.00 0.21 N ATOM 227 CA ASP A 15 -35.650 36.683 4.059 1.00 0.25 C ATOM 228 C ASP A 15 -37.052 36.322 3.555 1.00 0.22 C ATOM 229 O ASP A 15 -38.001 36.319 4.349 1.00 0.29 O ATOM 230 CB ASP A 15 -35.188 38.106 3.676 1.00 0.32 C ATOM 231 CG ASP A 15 -34.350 38.291 2.397 1.00 0.88 C ATOM 232 OD1 ASP A 15 -33.836 37.301 1.829 1.00 1.67 O ATOM 233 OD2 ASP A 15 -34.031 39.475 2.155 1.00 0.74 O ATOM 0 H ASP A 15 -33.912 36.005 3.142 1.00 0.21 H new ATOM 0 HA ASP A 15 -35.756 36.696 5.144 1.00 0.25 H new ATOM 0 HB2 ASP A 15 -36.078 38.728 3.581 1.00 0.32 H new ATOM 0 HB3 ASP A 15 -34.609 38.502 4.511 1.00 0.32 H new ATOM 238 N GLU A 16 -37.090 35.718 2.362 1.00 0.18 N ATOM 239 CA GLU A 16 -38.344 35.082 1.793 1.00 0.21 C ATOM 240 C GLU A 16 -38.576 33.809 2.447 1.00 0.20 C ATOM 241 O GLU A 16 -39.688 33.411 2.632 1.00 0.25 O ATOM 242 CB GLU A 16 -38.102 34.778 0.279 1.00 0.26 C ATOM 243 CG GLU A 16 -37.885 35.930 -0.654 1.00 0.30 C ATOM 244 CD GLU A 16 -39.066 36.789 -0.910 1.00 0.64 C ATOM 245 OE1 GLU A 16 -39.708 37.268 0.059 1.00 1.00 O ATOM 246 OE2 GLU A 16 -39.492 36.986 -2.127 1.00 0.77 O ATOM 0 H GLU A 16 -36.278 35.642 1.749 1.00 0.18 H new ATOM 0 HA GLU A 16 -39.189 35.754 1.940 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -37.233 34.124 0.207 1.00 0.26 H new ATOM 0 HB3 GLU A 16 -38.958 34.212 -0.087 1.00 0.26 H new ATOM 0 HG2 GLU A 16 -37.087 36.554 -0.250 1.00 0.30 H new ATOM 0 HG3 GLU A 16 -37.532 35.538 -1.608 1.00 0.30 H new ATOM 253 N PHE A 17 -37.522 33.070 2.812 1.00 0.16 N ATOM 254 CA PHE A 17 -37.669 31.680 3.224 1.00 0.15 C ATOM 255 C PHE A 17 -38.366 31.672 4.592 1.00 0.16 C ATOM 256 O PHE A 17 -39.395 31.031 4.800 1.00 0.17 O ATOM 257 CB PHE A 17 -36.269 31.067 3.353 1.00 0.16 C ATOM 258 CG PHE A 17 -36.302 29.578 3.179 1.00 0.16 C ATOM 259 CD1 PHE A 17 -36.355 29.068 1.870 1.00 0.16 C ATOM 260 CD2 PHE A 17 -36.315 28.714 4.286 1.00 0.20 C ATOM 261 CE1 PHE A 17 -36.421 27.689 1.667 1.00 0.19 C ATOM 262 CE2 PHE A 17 -36.363 27.325 4.079 1.00 0.22 C ATOM 263 CZ PHE A 17 -36.432 26.821 2.768 1.00 0.18 C ATOM 0 H PHE A 17 -36.562 33.415 2.829 1.00 0.16 H new ATOM 0 HA PHE A 17 -38.252 31.108 2.502 1.00 0.15 H new ATOM 0 HB2 PHE A 17 -35.608 31.507 2.606 1.00 0.16 H new ATOM 0 HB3 PHE A 17 -35.853 31.311 4.330 1.00 0.16 H new ATOM 0 HD1 PHE A 17 -36.345 29.741 1.025 1.00 0.16 H new ATOM 0 HD2 PHE A 17 -36.288 29.114 5.289 1.00 0.20 H new ATOM 0 HE1 PHE A 17 -36.464 27.291 0.664 1.00 0.19 H new ATOM 0 HE2 PHE A 17 -36.347 26.649 4.921 1.00 0.22 H new ATOM 0 HZ PHE A 17 -36.494 25.755 2.608 1.00 0.18 H new ATOM 273 N MET A 18 -37.857 32.442 5.546 1.00 0.18 N ATOM 274 CA MET A 18 -38.333 32.421 6.926 1.00 0.19 C ATOM 275 C MET A 18 -39.732 33.051 7.090 1.00 0.20 C ATOM 276 O MET A 18 -40.560 32.535 7.848 1.00 0.22 O ATOM 277 CB MET A 18 -37.253 33.093 7.776 1.00 0.20 C ATOM 278 CG MET A 18 -35.981 32.244 7.897 1.00 0.39 C ATOM 279 SD MET A 18 -36.170 30.697 8.833 1.00 1.06 S ATOM 280 CE MET A 18 -34.633 29.890 8.315 1.00 0.36 C ATOM 0 H MET A 18 -37.097 33.103 5.384 1.00 0.18 H new ATOM 0 HA MET A 18 -38.482 31.395 7.263 1.00 0.19 H new ATOM 0 HB2 MET A 18 -37.000 34.058 7.338 1.00 0.20 H new ATOM 0 HB3 MET A 18 -37.650 33.289 8.772 1.00 0.20 H new ATOM 0 HG2 MET A 18 -35.628 32.003 6.895 1.00 0.39 H new ATOM 0 HG3 MET A 18 -35.206 32.845 8.372 1.00 0.39 H new ATOM 0 HE1 MET A 18 -34.329 29.166 9.071 1.00 0.36 H new ATOM 0 HE2 MET A 18 -34.793 29.378 7.366 1.00 0.36 H new ATOM 0 HE3 MET A 18 -33.851 30.640 8.196 1.00 0.36 H new ATOM 290 N LYS A 19 -40.060 34.027 6.234 1.00 0.20 N ATOM 291 CA LYS A 19 -41.398 34.624 6.041 1.00 0.23 C ATOM 292 C LYS A 19 -42.468 33.614 5.635 1.00 0.23 C ATOM 293 O LYS A 19 -43.562 33.605 6.192 1.00 0.29 O ATOM 294 CB LYS A 19 -41.329 35.714 4.951 1.00 0.25 C ATOM 295 CG LYS A 19 -40.960 37.106 5.462 1.00 0.32 C ATOM 296 CD LYS A 19 -42.069 37.713 6.341 1.00 0.87 C ATOM 297 CE LYS A 19 -41.793 39.192 6.624 1.00 1.40 C ATOM 298 NZ LYS A 19 -40.555 39.364 7.419 1.00 1.82 N ATOM 0 H LYS A 19 -39.363 34.449 5.620 1.00 0.20 H new ATOM 0 HA LYS A 19 -41.684 35.037 7.008 1.00 0.23 H new ATOM 0 HB2 LYS A 19 -40.599 35.412 4.200 1.00 0.25 H new ATOM 0 HB3 LYS A 19 -42.296 35.770 4.451 1.00 0.25 H new ATOM 0 HG2 LYS A 19 -40.035 37.048 6.035 1.00 0.32 H new ATOM 0 HG3 LYS A 19 -40.769 37.764 4.614 1.00 0.32 H new ATOM 0 HD2 LYS A 19 -43.033 37.608 5.842 1.00 0.87 H new ATOM 0 HD3 LYS A 19 -42.135 37.165 7.281 1.00 0.87 H new ATOM 0 HE2 LYS A 19 -41.702 39.734 5.683 1.00 1.40 H new ATOM 0 HE3 LYS A 19 -42.636 39.626 7.161 1.00 1.40 H new ATOM 0 HZ1 LYS A 19 -40.347 40.378 7.523 1.00 1.82 H new ATOM 0 HZ2 LYS A 19 -40.684 38.939 8.359 1.00 1.82 H new ATOM 0 HZ3 LYS A 19 -39.763 38.897 6.933 1.00 1.82 H new ATOM 312 N LEU A 20 -42.121 32.751 4.683 1.00 0.20 N ATOM 313 CA LEU A 20 -43.010 31.839 4.068 1.00 0.20 C ATOM 314 C LEU A 20 -43.089 30.518 4.948 1.00 0.21 C ATOM 315 O LEU A 20 -43.991 29.722 4.765 1.00 0.25 O ATOM 316 CB LEU A 20 -42.662 31.616 2.594 1.00 0.19 C ATOM 317 CG LEU A 20 -42.913 32.846 1.650 1.00 0.22 C ATOM 318 CD1 LEU A 20 -42.106 32.697 0.331 1.00 0.21 C ATOM 319 CD2 LEU A 20 -44.390 32.915 1.301 1.00 0.27 C ATOM 0 H LEU A 20 -41.169 32.686 4.323 1.00 0.20 H new ATOM 0 HA LEU A 20 -44.017 32.254 4.036 1.00 0.20 H new ATOM 0 HB2 LEU A 20 -41.611 31.335 2.525 1.00 0.19 H new ATOM 0 HB3 LEU A 20 -43.243 30.771 2.225 1.00 0.19 H new ATOM 0 HG LEU A 20 -42.595 33.751 2.168 1.00 0.22 H new ATOM 0 HD11 LEU A 20 -42.293 33.559 -0.309 1.00 0.21 H new ATOM 0 HD12 LEU A 20 -41.042 32.640 0.560 1.00 0.21 H new ATOM 0 HD13 LEU A 20 -42.416 31.788 -0.184 1.00 0.21 H new ATOM 0 HD21 LEU A 20 -44.570 33.767 0.646 1.00 0.27 H new ATOM 0 HD22 LEU A 20 -44.687 31.998 0.793 1.00 0.27 H new ATOM 0 HD23 LEU A 20 -44.975 33.030 2.214 1.00 0.27 H new ATOM 331 N LEU A 21 -42.198 30.320 5.920 1.00 0.19 N ATOM 332 CA LEU A 21 -42.244 29.163 6.821 1.00 0.20 C ATOM 333 C LEU A 21 -42.902 29.468 8.189 1.00 0.23 C ATOM 334 O LEU A 21 -43.345 28.554 8.886 1.00 0.25 O ATOM 335 CB LEU A 21 -40.835 28.555 6.831 1.00 0.22 C ATOM 336 CG LEU A 21 -40.734 27.046 7.120 1.00 0.40 C ATOM 337 CD1 LEU A 21 -41.724 26.165 6.354 1.00 1.20 C ATOM 338 CD2 LEU A 21 -39.333 26.581 6.725 1.00 0.80 C ATOM 0 H LEU A 21 -41.423 30.956 6.107 1.00 0.19 H new ATOM 0 HA LEU A 21 -42.928 28.394 6.461 1.00 0.20 H new ATOM 0 HB2 LEU A 21 -40.375 28.747 5.862 1.00 0.22 H new ATOM 0 HB3 LEU A 21 -40.241 29.084 7.576 1.00 0.22 H new ATOM 0 HG LEU A 21 -40.963 26.934 8.180 1.00 0.40 H new ATOM 0 HD11 LEU A 21 -41.570 25.121 6.629 1.00 1.20 H new ATOM 0 HD12 LEU A 21 -42.743 26.460 6.605 1.00 1.20 H new ATOM 0 HD13 LEU A 21 -41.565 26.285 5.282 1.00 1.20 H new ATOM 0 HD21 LEU A 21 -39.236 25.513 6.920 1.00 0.80 H new ATOM 0 HD22 LEU A 21 -39.172 26.772 5.664 1.00 0.80 H new ATOM 0 HD23 LEU A 21 -38.591 27.126 7.308 1.00 0.80 H new ATOM 350 N GLY A 22 -43.209 30.750 8.429 1.00 0.30 N ATOM 351 CA GLY A 22 -44.201 31.254 9.375 1.00 0.36 C ATOM 352 C GLY A 22 -43.646 32.098 10.520 1.00 0.36 C ATOM 353 O GLY A 22 -44.415 32.385 11.441 1.00 0.40 O ATOM 0 H GLY A 22 -42.738 31.507 7.933 1.00 0.30 H new ATOM 0 HA2 GLY A 22 -44.930 31.851 8.827 1.00 0.36 H new ATOM 0 HA3 GLY A 22 -44.738 30.405 9.799 1.00 0.36 H new ATOM 357 N ILE A 23 -42.364 32.506 10.498 1.00 0.34 N ATOM 358 CA ILE A 23 -41.972 33.568 11.354 1.00 0.34 C ATOM 359 C ILE A 23 -42.506 34.900 10.780 1.00 0.33 C ATOM 360 O ILE A 23 -42.492 34.959 9.542 1.00 0.31 O ATOM 361 CB ILE A 23 -40.420 33.569 11.580 1.00 0.30 C ATOM 362 CG1 ILE A 23 -39.929 32.127 11.885 1.00 0.30 C ATOM 363 CG2 ILE A 23 -40.129 34.492 12.760 1.00 0.35 C ATOM 364 CD1 ILE A 23 -39.267 31.478 10.771 1.00 0.38 C ATOM 0 H ILE A 23 -41.628 32.115 9.910 1.00 0.34 H new ATOM 0 HA ILE A 23 -42.410 33.432 12.343 1.00 0.34 H new ATOM 0 HB ILE A 23 -39.899 33.919 10.689 1.00 0.30 H new ATOM 0 HG12 ILE A 23 -39.243 32.160 12.732 1.00 0.30 H new ATOM 0 HG13 ILE A 23 -40.782 31.521 12.189 1.00 0.30 H new ATOM 0 HG21 ILE A 23 -39.055 34.517 12.946 1.00 0.35 H new ATOM 0 HG22 ILE A 23 -40.481 35.498 12.531 1.00 0.35 H new ATOM 0 HG23 ILE A 23 -40.643 34.121 13.647 1.00 0.35 H new ATOM 0 HD11 ILE A 23 -38.955 30.476 11.067 1.00 0.38 H new ATOM 0 HD12 ILE A 23 -39.955 31.410 9.928 1.00 0.38 H new ATOM 0 HD13 ILE A 23 -38.392 32.059 10.479 1.00 0.38 H new ATOM 376 N SER A 24 -42.807 35.935 11.542 1.00 0.36 N ATOM 377 CA SER A 24 -42.896 37.320 10.944 1.00 0.37 C ATOM 378 C SER A 24 -41.655 38.146 11.088 1.00 0.35 C ATOM 379 O SER A 24 -41.120 38.685 10.077 1.00 0.33 O ATOM 380 CB SER A 24 -44.120 38.038 11.485 1.00 0.43 C ATOM 381 OG SER A 24 -45.336 37.523 10.981 1.00 0.71 O ATOM 0 H SER A 24 -42.994 35.884 12.543 1.00 0.36 H new ATOM 0 HA SER A 24 -42.999 37.183 9.868 1.00 0.37 H new ATOM 0 HB2 SER A 24 -44.125 37.965 12.573 1.00 0.43 H new ATOM 0 HB3 SER A 24 -44.051 39.097 11.237 1.00 0.43 H new ATOM 0 HG SER A 24 -46.087 38.022 11.365 1.00 0.71 H new ATOM 387 N SER A 25 -41.103 38.266 12.319 1.00 0.37 N ATOM 388 CA SER A 25 -39.839 38.982 12.521 1.00 0.37 C ATOM 389 C SER A 25 -38.879 38.130 13.407 1.00 0.36 C ATOM 390 O SER A 25 -37.729 38.003 12.963 1.00 0.37 O ATOM 391 CB SER A 25 -39.938 40.379 13.170 1.00 0.42 C ATOM 392 OG SER A 25 -40.378 41.362 12.197 1.00 1.04 O ATOM 0 H SER A 25 -41.512 37.880 13.170 1.00 0.37 H new ATOM 0 HA SER A 25 -39.469 39.136 11.507 1.00 0.37 H new ATOM 0 HB2 SER A 25 -40.636 40.349 14.007 1.00 0.42 H new ATOM 0 HB3 SER A 25 -38.968 40.668 13.574 1.00 0.42 H new ATOM 0 HG SER A 25 -40.437 42.242 12.625 1.00 1.04 H new ATOM 398 N ASP A 26 -39.352 37.348 14.395 1.00 0.40 N ATOM 399 CA ASP A 26 -38.560 36.761 15.501 1.00 0.44 C ATOM 400 C ASP A 26 -37.127 36.352 15.066 1.00 0.40 C ATOM 401 O ASP A 26 -36.206 37.040 15.520 1.00 0.43 O ATOM 402 CB ASP A 26 -39.264 35.543 16.081 1.00 0.49 C ATOM 403 CG ASP A 26 -39.130 35.575 17.581 1.00 0.85 C ATOM 404 OD1 ASP A 26 -37.999 35.402 18.108 1.00 1.29 O ATOM 405 OD2 ASP A 26 -40.051 35.951 18.353 1.00 0.94 O ATOM 0 H ASP A 26 -40.339 37.095 14.450 1.00 0.40 H new ATOM 0 HA ASP A 26 -38.473 37.542 16.256 1.00 0.44 H new ATOM 0 HB2 ASP A 26 -40.316 35.543 15.796 1.00 0.49 H new ATOM 0 HB3 ASP A 26 -38.826 34.628 15.682 1.00 0.49 H new ATOM 410 N VAL A 27 -36.911 35.238 14.350 1.00 0.36 N ATOM 411 CA VAL A 27 -35.576 34.789 13.912 1.00 0.35 C ATOM 412 C VAL A 27 -35.054 35.519 12.680 1.00 0.31 C ATOM 413 O VAL A 27 -33.853 35.721 12.575 1.00 0.31 O ATOM 414 CB VAL A 27 -35.506 33.256 13.753 1.00 0.37 C ATOM 415 CG1 VAL A 27 -36.131 32.752 12.446 1.00 0.46 C ATOM 416 CG2 VAL A 27 -34.058 32.749 13.801 1.00 0.58 C ATOM 0 H VAL A 27 -37.664 34.616 14.055 1.00 0.36 H new ATOM 0 HA VAL A 27 -34.897 35.065 14.719 1.00 0.35 H new ATOM 0 HB VAL A 27 -36.080 32.864 14.593 1.00 0.37 H new ATOM 0 HG11 VAL A 27 -36.048 31.666 12.398 1.00 0.46 H new ATOM 0 HG12 VAL A 27 -37.182 33.037 12.412 1.00 0.46 H new ATOM 0 HG13 VAL A 27 -35.607 33.194 11.598 1.00 0.46 H new ATOM 0 HG21 VAL A 27 -34.048 31.665 13.686 1.00 0.58 H new ATOM 0 HG22 VAL A 27 -33.486 33.205 12.993 1.00 0.58 H new ATOM 0 HG23 VAL A 27 -33.610 33.016 14.758 1.00 0.58 H new ATOM 426 N ILE A 28 -35.897 36.160 11.870 1.00 0.28 N ATOM 427 CA ILE A 28 -35.481 36.901 10.659 1.00 0.26 C ATOM 428 C ILE A 28 -34.701 38.187 10.983 1.00 0.27 C ATOM 429 O ILE A 28 -33.688 38.488 10.362 1.00 0.27 O ATOM 430 CB ILE A 28 -36.709 37.262 9.780 1.00 0.25 C ATOM 431 CG1 ILE A 28 -37.775 36.141 9.761 1.00 0.26 C ATOM 432 CG2 ILE A 28 -36.226 37.615 8.362 1.00 0.24 C ATOM 433 CD1 ILE A 28 -38.881 36.260 8.702 1.00 0.26 C ATOM 0 H ILE A 28 -36.904 36.185 12.031 1.00 0.28 H new ATOM 0 HA ILE A 28 -34.815 36.232 10.113 1.00 0.26 H new ATOM 0 HB ILE A 28 -37.204 38.129 10.218 1.00 0.25 H new ATOM 0 HG12 ILE A 28 -37.265 35.189 9.615 1.00 0.26 H new ATOM 0 HG13 ILE A 28 -38.247 36.103 10.743 1.00 0.26 H new ATOM 0 HG21 ILE A 28 -37.083 37.870 7.739 1.00 0.24 H new ATOM 0 HG22 ILE A 28 -35.547 38.466 8.410 1.00 0.24 H new ATOM 0 HG23 ILE A 28 -35.706 36.760 7.931 1.00 0.24 H new ATOM 0 HD11 ILE A 28 -39.564 35.415 8.793 1.00 0.26 H new ATOM 0 HD12 ILE A 28 -39.431 37.189 8.853 1.00 0.26 H new ATOM 0 HD13 ILE A 28 -38.434 36.260 7.708 1.00 0.26 H new ATOM 445 N GLU A 29 -35.154 38.947 11.977 1.00 0.30 N ATOM 446 CA GLU A 29 -34.506 40.187 12.394 1.00 0.32 C ATOM 447 C GLU A 29 -33.255 39.983 13.233 1.00 0.32 C ATOM 448 O GLU A 29 -32.306 40.725 13.134 1.00 0.36 O ATOM 449 CB GLU A 29 -35.394 41.214 13.090 1.00 0.38 C ATOM 450 CG GLU A 29 -35.895 40.742 14.446 1.00 0.79 C ATOM 451 CD GLU A 29 -36.507 41.863 15.190 1.00 1.14 C ATOM 452 OE1 GLU A 29 -35.781 42.835 15.476 1.00 1.29 O ATOM 453 OE2 GLU A 29 -37.764 41.812 15.404 1.00 1.48 O ATOM 0 H GLU A 29 -35.987 38.718 12.519 1.00 0.30 H new ATOM 0 HA GLU A 29 -34.234 40.604 11.424 1.00 0.32 H new ATOM 0 HB2 GLU A 29 -34.836 42.142 13.217 1.00 0.38 H new ATOM 0 HB3 GLU A 29 -36.248 41.440 12.452 1.00 0.38 H new ATOM 0 HG2 GLU A 29 -36.626 39.944 14.313 1.00 0.79 H new ATOM 0 HG3 GLU A 29 -35.068 40.325 15.021 1.00 0.79 H new ATOM 460 N LYS A 30 -33.193 38.851 13.947 1.00 0.33 N ATOM 461 CA LYS A 30 -32.004 38.402 14.676 1.00 0.37 C ATOM 462 C LYS A 30 -30.970 37.775 13.750 1.00 0.33 C ATOM 463 O LYS A 30 -29.786 38.057 13.924 1.00 0.37 O ATOM 464 CB LYS A 30 -32.400 37.439 15.807 1.00 0.45 C ATOM 465 CG LYS A 30 -33.411 38.047 16.793 1.00 0.52 C ATOM 466 CD LYS A 30 -32.945 39.303 17.538 1.00 0.76 C ATOM 467 CE LYS A 30 -34.128 39.831 18.357 1.00 0.88 C ATOM 468 NZ LYS A 30 -33.895 41.215 18.836 1.00 1.19 N ATOM 0 H LYS A 30 -33.983 38.212 14.034 1.00 0.33 H new ATOM 0 HA LYS A 30 -31.536 39.280 15.120 1.00 0.37 H new ATOM 0 HB2 LYS A 30 -32.825 36.534 15.373 1.00 0.45 H new ATOM 0 HB3 LYS A 30 -31.504 37.141 16.352 1.00 0.45 H new ATOM 0 HG2 LYS A 30 -34.322 38.289 16.246 1.00 0.52 H new ATOM 0 HG3 LYS A 30 -33.673 37.287 17.529 1.00 0.52 H new ATOM 0 HD2 LYS A 30 -32.103 39.070 18.190 1.00 0.76 H new ATOM 0 HD3 LYS A 30 -32.601 40.060 16.833 1.00 0.76 H new ATOM 0 HE2 LYS A 30 -35.032 39.805 17.748 1.00 0.88 H new ATOM 0 HE3 LYS A 30 -34.300 39.175 19.211 1.00 0.88 H new ATOM 0 HZ1 LYS A 30 -34.718 41.535 19.385 1.00 1.19 H new ATOM 0 HZ2 LYS A 30 -33.047 41.236 19.438 1.00 1.19 H new ATOM 0 HZ3 LYS A 30 -33.756 41.846 18.021 1.00 1.19 H new ATOM 482 N ALA A 31 -31.385 36.977 12.761 1.00 0.30 N ATOM 483 CA ALA A 31 -30.520 36.346 11.845 1.00 0.31 C ATOM 484 C ALA A 31 -29.986 37.262 10.735 1.00 0.32 C ATOM 485 O ALA A 31 -28.824 37.139 10.381 1.00 0.40 O ATOM 486 CB ALA A 31 -31.139 35.056 11.151 1.00 0.34 C ATOM 0 H ALA A 31 -32.370 36.766 12.598 1.00 0.30 H new ATOM 0 HA ALA A 31 -29.692 36.051 12.489 1.00 0.31 H new ATOM 0 HB1 ALA A 31 -30.411 34.629 10.461 1.00 0.34 H new ATOM 0 HB2 ALA A 31 -31.392 34.319 11.913 1.00 0.34 H new ATOM 0 HB3 ALA A 31 -32.039 35.334 10.603 1.00 0.34 H new ATOM 492 N ARG A 32 -30.741 38.272 10.271 1.00 0.28 N ATOM 493 CA ARG A 32 -30.236 39.205 9.238 1.00 0.31 C ATOM 494 C ARG A 32 -29.142 40.151 9.740 1.00 0.35 C ATOM 495 O ARG A 32 -28.519 40.826 8.936 1.00 0.43 O ATOM 496 CB ARG A 32 -31.386 39.975 8.590 1.00 0.35 C ATOM 497 CG ARG A 32 -31.911 41.180 9.390 1.00 0.34 C ATOM 498 CD ARG A 32 -33.076 41.849 8.651 1.00 0.45 C ATOM 499 NE ARG A 32 -32.765 41.916 7.231 1.00 1.13 N ATOM 500 CZ ARG A 32 -33.513 42.427 6.246 1.00 1.47 C ATOM 501 NH1 ARG A 32 -34.741 42.814 6.454 1.00 1.06 N ATOM 502 NH2 ARG A 32 -33.082 42.342 5.019 1.00 2.40 N ATOM 0 H ARG A 32 -31.691 38.466 10.587 1.00 0.28 H new ATOM 0 HA ARG A 32 -29.758 38.585 8.480 1.00 0.31 H new ATOM 0 HB2 ARG A 32 -31.059 40.326 7.611 1.00 0.35 H new ATOM 0 HB3 ARG A 32 -32.213 39.285 8.422 1.00 0.35 H new ATOM 0 HG2 ARG A 32 -32.238 40.854 10.377 1.00 0.34 H new ATOM 0 HG3 ARG A 32 -31.108 41.901 9.542 1.00 0.34 H new ATOM 0 HD2 ARG A 32 -33.995 41.284 8.808 1.00 0.45 H new ATOM 0 HD3 ARG A 32 -33.246 42.851 9.046 1.00 0.45 H new ATOM 0 HE ARG A 32 -31.865 41.525 6.952 1.00 1.13 H new ATOM 0 HH11 ARG A 32 -35.151 42.730 7.384 1.00 1.06 H new ATOM 0 HH12 ARG A 32 -35.291 43.200 5.687 1.00 1.06 H new ATOM 0 HH21 ARG A 32 -32.188 41.892 4.822 1.00 2.40 H new ATOM 0 HH22 ARG A 32 -33.639 42.726 4.255 1.00 2.40 H new ATOM 516 N ASN A 33 -29.107 40.417 11.051 1.00 0.35 N ATOM 517 CA ASN A 33 -27.989 41.101 11.655 1.00 0.42 C ATOM 518 C ASN A 33 -26.780 40.343 11.892 1.00 0.38 C ATOM 519 O ASN A 33 -25.668 40.859 11.687 1.00 0.47 O ATOM 520 CB ASN A 33 -28.429 41.744 12.905 1.00 0.53 C ATOM 521 CG ASN A 33 -29.296 42.899 12.568 1.00 0.68 C ATOM 522 OD1 ASN A 33 -28.826 43.900 11.976 1.00 1.09 O ATOM 523 ND2 ASN A 33 -30.643 42.846 12.842 1.00 0.61 N ATOM 0 H ASN A 33 -29.848 40.163 11.704 1.00 0.35 H new ATOM 0 HA ASN A 33 -27.685 41.820 10.894 1.00 0.42 H new ATOM 0 HB2 ASN A 33 -28.973 41.031 13.525 1.00 0.53 H new ATOM 0 HB3 ASN A 33 -27.566 42.075 13.483 1.00 0.53 H new ATOM 0 HD21 ASN A 33 -31.251 43.617 12.564 1.00 0.61 H new ATOM 0 HD22 ASN A 33 -31.034 42.036 13.323 1.00 0.61 H new ATOM 530 N PHE A 34 -26.880 39.187 12.547 1.00 0.35 N ATOM 531 CA PHE A 34 -25.696 38.566 13.138 1.00 0.42 C ATOM 532 C PHE A 34 -25.352 37.292 12.364 1.00 0.46 C ATOM 533 O PHE A 34 -24.372 37.243 11.635 1.00 0.78 O ATOM 534 CB PHE A 34 -25.921 38.390 14.657 1.00 0.52 C ATOM 535 CG PHE A 34 -26.334 39.662 15.381 1.00 0.94 C ATOM 536 CD1 PHE A 34 -25.520 40.810 15.332 1.00 1.98 C ATOM 537 CD2 PHE A 34 -27.564 39.711 16.063 1.00 0.75 C ATOM 538 CE1 PHE A 34 -25.935 41.998 15.961 1.00 2.84 C ATOM 539 CE2 PHE A 34 -27.976 40.897 16.698 1.00 1.54 C ATOM 540 CZ PHE A 34 -27.161 42.041 16.646 1.00 2.62 C ATOM 0 H PHE A 34 -27.749 38.671 12.680 1.00 0.35 H new ATOM 0 HA PHE A 34 -24.812 39.197 13.050 1.00 0.42 H new ATOM 0 HB2 PHE A 34 -26.688 37.632 14.813 1.00 0.52 H new ATOM 0 HB3 PHE A 34 -25.003 38.012 15.107 1.00 0.52 H new ATOM 0 HD1 PHE A 34 -24.575 40.778 14.810 1.00 1.98 H new ATOM 0 HD2 PHE A 34 -28.194 38.835 16.099 1.00 0.75 H new ATOM 0 HE1 PHE A 34 -25.310 42.878 15.917 1.00 2.84 H new ATOM 0 HE2 PHE A 34 -28.918 40.928 17.225 1.00 1.54 H new ATOM 0 HZ PHE A 34 -27.477 42.952 17.132 1.00 2.62 H new ATOM 550 N LYS A 35 -25.942 36.212 12.862 1.00 0.33 N ATOM 551 CA LYS A 35 -25.962 34.812 12.451 1.00 0.36 C ATOM 552 C LYS A 35 -26.645 34.085 13.611 1.00 0.37 C ATOM 553 O LYS A 35 -26.870 34.665 14.680 1.00 0.53 O ATOM 554 CB LYS A 35 -24.562 34.223 12.157 1.00 0.58 C ATOM 555 CG LYS A 35 -23.553 34.152 13.318 1.00 1.15 C ATOM 556 CD LYS A 35 -22.829 35.476 13.614 1.00 1.36 C ATOM 557 CE LYS A 35 -21.592 35.247 14.481 1.00 1.90 C ATOM 558 NZ LYS A 35 -21.957 34.622 15.769 1.00 2.56 N ATOM 0 H LYS A 35 -26.510 36.320 13.702 1.00 0.33 H new ATOM 0 HA LYS A 35 -26.488 34.697 11.504 1.00 0.36 H new ATOM 0 HB2 LYS A 35 -24.698 33.213 11.770 1.00 0.58 H new ATOM 0 HB3 LYS A 35 -24.112 34.812 11.358 1.00 0.58 H new ATOM 0 HG2 LYS A 35 -24.076 33.829 14.218 1.00 1.15 H new ATOM 0 HG3 LYS A 35 -22.809 33.389 13.090 1.00 1.15 H new ATOM 0 HD2 LYS A 35 -22.537 35.951 12.677 1.00 1.36 H new ATOM 0 HD3 LYS A 35 -23.510 36.161 14.120 1.00 1.36 H new ATOM 0 HE2 LYS A 35 -20.885 34.609 13.951 1.00 1.90 H new ATOM 0 HE3 LYS A 35 -21.090 36.197 14.663 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 -21.117 34.173 16.187 1.00 2.56 H new ATOM 0 HZ2 LYS A 35 -22.320 35.350 16.418 1.00 2.56 H new ATOM 0 HZ3 LYS A 35 -22.691 33.903 15.610 1.00 2.56 H new ATOM 572 N ILE A 36 -26.848 32.785 13.478 1.00 0.35 N ATOM 573 CA ILE A 36 -27.368 31.932 14.549 1.00 0.35 C ATOM 574 C ILE A 36 -26.359 30.798 14.803 1.00 0.34 C ATOM 575 O ILE A 36 -25.523 30.485 13.954 1.00 0.43 O ATOM 576 CB ILE A 36 -28.799 31.481 14.181 1.00 0.37 C ATOM 577 CG1 ILE A 36 -29.747 32.618 13.708 1.00 0.44 C ATOM 578 CG2 ILE A 36 -29.472 30.690 15.310 1.00 0.36 C ATOM 579 CD1 ILE A 36 -30.117 33.680 14.750 1.00 0.41 C ATOM 0 H ILE A 36 -26.655 32.279 12.613 1.00 0.35 H new ATOM 0 HA ILE A 36 -27.468 32.459 15.498 1.00 0.35 H new ATOM 0 HB ILE A 36 -28.642 30.829 13.322 1.00 0.37 H new ATOM 0 HG12 ILE A 36 -29.281 33.120 12.860 1.00 0.44 H new ATOM 0 HG13 ILE A 36 -30.668 32.164 13.342 1.00 0.44 H new ATOM 0 HG21 ILE A 36 -30.475 30.397 15.001 1.00 0.36 H new ATOM 0 HG22 ILE A 36 -28.885 29.798 15.530 1.00 0.36 H new ATOM 0 HG23 ILE A 36 -29.535 31.312 16.203 1.00 0.36 H new ATOM 0 HD11 ILE A 36 -30.782 34.417 14.299 1.00 0.41 H new ATOM 0 HD12 ILE A 36 -30.621 33.204 15.591 1.00 0.41 H new ATOM 0 HD13 ILE A 36 -29.212 34.175 15.102 1.00 0.41 H new ATOM 591 N VAL A 37 -26.345 30.247 16.019 1.00 0.30 N ATOM 592 CA VAL A 37 -25.380 29.218 16.456 1.00 0.27 C ATOM 593 C VAL A 37 -26.069 28.007 17.079 1.00 0.25 C ATOM 594 O VAL A 37 -27.078 28.167 17.760 1.00 0.31 O ATOM 595 CB VAL A 37 -24.267 29.809 17.350 1.00 0.30 C ATOM 596 CG1 VAL A 37 -23.655 31.085 16.759 1.00 0.83 C ATOM 597 CG2 VAL A 37 -24.754 30.139 18.767 1.00 0.85 C ATOM 0 H VAL A 37 -27.013 30.504 16.746 1.00 0.30 H new ATOM 0 HA VAL A 37 -24.881 28.847 15.560 1.00 0.27 H new ATOM 0 HB VAL A 37 -23.512 29.024 17.398 1.00 0.30 H new ATOM 0 HG11 VAL A 37 -22.879 31.459 17.426 1.00 0.83 H new ATOM 0 HG12 VAL A 37 -23.220 30.862 15.785 1.00 0.83 H new ATOM 0 HG13 VAL A 37 -24.431 31.842 16.645 1.00 0.83 H new ATOM 0 HG21 VAL A 37 -23.929 30.551 19.349 1.00 0.85 H new ATOM 0 HG22 VAL A 37 -25.561 30.870 18.713 1.00 0.85 H new ATOM 0 HG23 VAL A 37 -25.119 29.231 19.247 1.00 0.85 H new ATOM 607 N THR A 38 -25.504 26.810 16.910 1.00 0.25 N ATOM 608 CA THR A 38 -26.133 25.531 17.310 1.00 0.25 C ATOM 609 C THR A 38 -25.229 24.602 18.074 1.00 0.23 C ATOM 610 O THR A 38 -24.064 24.451 17.735 1.00 0.24 O ATOM 611 CB THR A 38 -26.742 24.766 16.134 1.00 0.29 C ATOM 612 OG1 THR A 38 -27.464 25.697 15.394 1.00 0.39 O ATOM 613 CG2 THR A 38 -27.722 23.650 16.501 1.00 0.28 C ATOM 0 H THR A 38 -24.584 26.690 16.486 1.00 0.25 H new ATOM 0 HA THR A 38 -26.928 25.852 17.983 1.00 0.25 H new ATOM 0 HB THR A 38 -25.912 24.287 15.614 1.00 0.29 H new ATOM 0 HG1 THR A 38 -27.932 26.306 16.002 1.00 0.39 H new ATOM 0 HG21 THR A 38 -28.091 23.176 15.591 1.00 0.28 H new ATOM 0 HG22 THR A 38 -27.214 22.907 17.116 1.00 0.28 H new ATOM 0 HG23 THR A 38 -28.560 24.070 17.057 1.00 0.28 H new ATOM 621 N GLU A 39 -25.808 23.873 19.009 1.00 0.22 N ATOM 622 CA GLU A 39 -25.229 22.827 19.823 1.00 0.20 C ATOM 623 C GLU A 39 -25.969 21.517 19.482 1.00 0.18 C ATOM 624 O GLU A 39 -27.215 21.471 19.501 1.00 0.20 O ATOM 625 CB GLU A 39 -25.443 23.015 21.302 1.00 0.24 C ATOM 626 CG GLU A 39 -25.122 24.455 21.789 1.00 0.56 C ATOM 627 CD GLU A 39 -25.389 24.756 23.263 1.00 0.99 C ATOM 628 OE1 GLU A 39 -26.575 24.852 23.629 1.00 1.41 O ATOM 629 OE2 GLU A 39 -24.398 24.832 24.083 1.00 1.41 O ATOM 0 H GLU A 39 -26.792 24.014 19.238 1.00 0.22 H new ATOM 0 HA GLU A 39 -24.159 22.828 19.616 1.00 0.20 H new ATOM 0 HB2 GLU A 39 -26.479 22.779 21.546 1.00 0.24 H new ATOM 0 HB3 GLU A 39 -24.818 22.307 21.846 1.00 0.24 H new ATOM 0 HG2 GLU A 39 -24.070 24.657 21.586 1.00 0.56 H new ATOM 0 HG3 GLU A 39 -25.703 25.155 21.188 1.00 0.56 H new ATOM 636 N VAL A 40 -25.263 20.396 19.334 1.00 0.17 N ATOM 637 CA VAL A 40 -25.902 19.169 18.957 1.00 0.18 C ATOM 638 C VAL A 40 -25.521 18.041 19.912 1.00 0.19 C ATOM 639 O VAL A 40 -24.319 17.864 20.254 1.00 0.20 O ATOM 640 CB VAL A 40 -25.438 18.846 17.554 1.00 0.17 C ATOM 641 CG1 VAL A 40 -26.181 17.645 16.929 1.00 0.19 C ATOM 642 CG2 VAL A 40 -25.578 20.063 16.599 1.00 0.19 C ATOM 0 H VAL A 40 -24.255 20.328 19.472 1.00 0.17 H new ATOM 0 HA VAL A 40 -26.986 19.274 18.999 1.00 0.18 H new ATOM 0 HB VAL A 40 -24.386 18.583 17.664 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -25.801 17.466 15.923 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -26.019 16.758 17.541 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -27.248 17.862 16.881 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -25.233 19.785 15.603 1.00 0.19 H new ATOM 0 HG22 VAL A 40 -26.623 20.368 16.549 1.00 0.19 H new ATOM 0 HG23 VAL A 40 -24.976 20.891 16.974 1.00 0.19 H new ATOM 652 N GLN A 41 -26.522 17.208 20.244 1.00 0.22 N ATOM 653 CA GLN A 41 -26.276 15.956 20.920 1.00 0.27 C ATOM 654 C GLN A 41 -27.296 14.935 20.256 1.00 0.27 C ATOM 655 O GLN A 41 -28.431 15.255 19.974 1.00 0.31 O ATOM 656 CB GLN A 41 -26.522 16.044 22.427 1.00 0.41 C ATOM 657 CG GLN A 41 -26.357 14.700 23.110 1.00 0.37 C ATOM 658 CD GLN A 41 -26.253 14.765 24.632 1.00 1.30 C ATOM 659 OE1 GLN A 41 -25.558 15.623 25.165 1.00 2.15 O ATOM 660 NE2 GLN A 41 -26.973 13.807 25.333 1.00 2.00 N ATOM 0 H GLN A 41 -27.506 17.394 20.048 1.00 0.22 H new ATOM 0 HA GLN A 41 -25.234 15.654 20.814 1.00 0.27 H new ATOM 0 HB2 GLN A 41 -25.828 16.761 22.866 1.00 0.41 H new ATOM 0 HB3 GLN A 41 -27.528 16.422 22.608 1.00 0.41 H new ATOM 0 HG2 GLN A 41 -27.203 14.067 22.844 1.00 0.37 H new ATOM 0 HG3 GLN A 41 -25.462 14.217 22.719 1.00 0.37 H new ATOM 0 HE21 GLN A 41 -27.533 13.120 24.829 1.00 2.00 H new ATOM 0 HE22 GLN A 41 -26.942 13.790 26.352 1.00 2.00 H new ATOM 669 N GLN A 42 -26.829 13.731 19.959 1.00 0.27 N ATOM 670 CA GLN A 42 -27.623 12.773 19.322 1.00 0.30 C ATOM 671 C GLN A 42 -27.240 11.420 19.867 1.00 0.33 C ATOM 672 O GLN A 42 -26.070 11.230 20.288 1.00 0.42 O ATOM 673 CB GLN A 42 -27.390 12.720 17.820 1.00 0.43 C ATOM 674 CG GLN A 42 -27.519 14.075 17.198 1.00 0.51 C ATOM 675 CD GLN A 42 -27.527 14.101 15.690 1.00 0.77 C ATOM 676 OE1 GLN A 42 -27.017 13.207 15.012 1.00 1.16 O ATOM 677 NE2 GLN A 42 -27.941 15.248 15.140 1.00 0.73 N ATOM 0 H GLN A 42 -25.880 13.421 20.167 1.00 0.27 H new ATOM 0 HA GLN A 42 -28.665 13.037 19.504 1.00 0.30 H new ATOM 0 HB2 GLN A 42 -26.397 12.319 17.619 1.00 0.43 H new ATOM 0 HB3 GLN A 42 -28.108 12.039 17.363 1.00 0.43 H new ATOM 0 HG2 GLN A 42 -28.441 14.533 17.556 1.00 0.51 H new ATOM 0 HG3 GLN A 42 -26.696 14.697 17.550 1.00 0.51 H new ATOM 0 HE21 GLN A 42 -28.360 15.972 15.724 1.00 0.73 H new ATOM 0 HE22 GLN A 42 -27.838 15.399 14.137 1.00 0.73 H new ATOM 686 N ASP A 43 -28.093 10.405 19.796 1.00 0.31 N ATOM 687 CA ASP A 43 -27.608 9.019 19.748 1.00 0.36 C ATOM 688 C ASP A 43 -28.727 8.143 19.174 1.00 0.37 C ATOM 689 O ASP A 43 -29.908 8.348 19.464 1.00 0.38 O ATOM 690 CB ASP A 43 -27.211 8.476 21.136 1.00 0.43 C ATOM 691 CG ASP A 43 -26.346 7.213 21.017 1.00 0.97 C ATOM 692 OD1 ASP A 43 -25.934 6.876 19.876 1.00 1.01 O ATOM 693 OD2 ASP A 43 -25.980 6.676 22.084 1.00 1.68 O ATOM 0 H ASP A 43 -29.108 10.505 19.770 1.00 0.31 H new ATOM 0 HA ASP A 43 -26.713 8.997 19.126 1.00 0.36 H new ATOM 0 HB2 ASP A 43 -26.665 9.243 21.686 1.00 0.43 H new ATOM 0 HB3 ASP A 43 -28.109 8.251 21.711 1.00 0.43 H new ATOM 698 N GLY A 44 -28.364 7.175 18.334 1.00 0.43 N ATOM 699 CA GLY A 44 -29.315 6.306 17.639 1.00 0.50 C ATOM 700 C GLY A 44 -30.402 7.077 16.871 1.00 0.60 C ATOM 701 O GLY A 44 -30.125 7.729 15.866 1.00 1.24 O ATOM 0 H GLY A 44 -27.390 6.969 18.114 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -28.771 5.669 16.941 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -29.792 5.648 18.365 1.00 0.50 H new ATOM 705 N GLN A 45 -31.655 6.892 17.296 1.00 0.34 N ATOM 706 CA GLN A 45 -32.919 7.343 16.733 1.00 0.30 C ATOM 707 C GLN A 45 -33.268 8.679 17.413 1.00 0.29 C ATOM 708 O GLN A 45 -34.201 9.315 16.917 1.00 0.32 O ATOM 709 CB GLN A 45 -33.915 6.164 16.976 1.00 0.31 C ATOM 710 CG GLN A 45 -35.067 6.047 15.945 1.00 0.32 C ATOM 711 CD GLN A 45 -34.580 5.335 14.675 1.00 0.76 C ATOM 712 OE1 GLN A 45 -33.412 5.572 14.258 1.00 1.37 O ATOM 713 NE2 GLN A 45 -35.495 4.635 13.949 1.00 1.02 N ATOM 0 H GLN A 45 -31.820 6.356 18.148 1.00 0.34 H new ATOM 0 HA GLN A 45 -32.924 7.556 15.664 1.00 0.30 H new ATOM 0 HB2 GLN A 45 -33.353 5.230 16.976 1.00 0.31 H new ATOM 0 HB3 GLN A 45 -34.349 6.275 17.970 1.00 0.31 H new ATOM 0 HG2 GLN A 45 -35.900 5.496 16.382 1.00 0.32 H new ATOM 0 HG3 GLN A 45 -35.440 7.040 15.693 1.00 0.32 H new ATOM 0 HE21 GLN A 45 -36.427 4.468 14.328 1.00 1.02 H new ATOM 0 HE22 GLN A 45 -35.248 4.277 13.026 1.00 1.02 H new ATOM 722 N ASP A 46 -32.606 9.120 18.496 1.00 0.30 N ATOM 723 CA ASP A 46 -32.960 10.323 19.268 1.00 0.34 C ATOM 724 C ASP A 46 -32.050 11.549 19.088 1.00 0.35 C ATOM 725 O ASP A 46 -30.820 11.483 19.176 1.00 0.49 O ATOM 726 CB ASP A 46 -33.286 10.021 20.743 1.00 0.40 C ATOM 727 CG ASP A 46 -34.696 9.450 20.999 1.00 1.10 C ATOM 728 OD1 ASP A 46 -35.408 9.125 20.022 1.00 1.18 O ATOM 729 OD2 ASP A 46 -35.151 9.597 22.152 1.00 1.85 O ATOM 0 H ASP A 46 -31.788 8.637 18.868 1.00 0.30 H new ATOM 0 HA ASP A 46 -33.888 10.645 18.795 1.00 0.34 H new ATOM 0 HB2 ASP A 46 -32.550 9.313 21.124 1.00 0.40 H new ATOM 0 HB3 ASP A 46 -33.173 10.939 21.319 1.00 0.40 H new ATOM 734 N PHE A 47 -32.673 12.704 18.839 1.00 0.26 N ATOM 735 CA PHE A 47 -32.025 13.890 18.294 1.00 0.26 C ATOM 736 C PHE A 47 -32.269 15.163 19.104 1.00 0.19 C ATOM 737 O PHE A 47 -33.409 15.603 19.236 1.00 0.21 O ATOM 738 CB PHE A 47 -32.375 14.058 16.800 1.00 0.31 C ATOM 739 CG PHE A 47 -31.721 13.058 15.859 1.00 1.56 C ATOM 740 CD1 PHE A 47 -32.128 11.713 15.874 1.00 2.65 C ATOM 741 CD2 PHE A 47 -30.710 13.456 14.965 1.00 1.72 C ATOM 742 CE1 PHE A 47 -31.465 10.757 15.090 1.00 3.87 C ATOM 743 CE2 PHE A 47 -30.053 12.500 14.167 1.00 2.93 C ATOM 744 CZ PHE A 47 -30.418 11.146 14.243 1.00 3.99 C ATOM 0 H PHE A 47 -33.668 12.839 19.017 1.00 0.26 H new ATOM 0 HA PHE A 47 -30.951 13.725 18.377 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -33.457 13.983 16.687 1.00 0.31 H new ATOM 0 HB3 PHE A 47 -32.091 15.063 16.489 1.00 0.31 H new ATOM 0 HD1 PHE A 47 -32.959 11.412 16.495 1.00 2.65 H new ATOM 0 HD2 PHE A 47 -30.437 14.498 14.891 1.00 1.72 H new ATOM 0 HE1 PHE A 47 -31.762 9.720 15.139 1.00 3.87 H new ATOM 0 HE2 PHE A 47 -29.266 12.809 13.495 1.00 2.93 H new ATOM 0 HZ PHE A 47 -29.895 10.409 13.652 1.00 3.99 H new ATOM 754 N THR A 48 -31.202 15.836 19.544 1.00 0.22 N ATOM 755 CA THR A 48 -31.266 17.225 20.028 1.00 0.23 C ATOM 756 C THR A 48 -30.513 18.161 19.084 1.00 0.21 C ATOM 757 O THR A 48 -29.285 18.177 19.022 1.00 0.21 O ATOM 758 CB THR A 48 -30.764 17.368 21.466 1.00 0.25 C ATOM 759 OG1 THR A 48 -31.555 16.569 22.322 1.00 0.27 O ATOM 760 CG2 THR A 48 -30.903 18.791 22.001 1.00 0.29 C ATOM 0 H THR A 48 -30.265 15.435 19.576 1.00 0.22 H new ATOM 0 HA THR A 48 -32.317 17.514 20.036 1.00 0.23 H new ATOM 0 HB THR A 48 -29.714 17.075 21.449 1.00 0.25 H new ATOM 0 HG1 THR A 48 -31.233 16.659 23.243 1.00 0.27 H new ATOM 0 HG21 THR A 48 -30.531 18.833 23.025 1.00 0.29 H new ATOM 0 HG22 THR A 48 -30.325 19.472 21.377 1.00 0.29 H new ATOM 0 HG23 THR A 48 -31.952 19.085 21.984 1.00 0.29 H new ATOM 768 N TRP A 49 -31.294 19.038 18.469 1.00 0.23 N ATOM 769 CA TRP A 49 -30.902 20.213 17.705 1.00 0.24 C ATOM 770 C TRP A 49 -31.252 21.448 18.531 1.00 0.25 C ATOM 771 O TRP A 49 -32.418 21.796 18.652 1.00 0.29 O ATOM 772 CB TRP A 49 -31.661 20.093 16.368 1.00 0.29 C ATOM 773 CG TRP A 49 -31.769 21.222 15.381 1.00 0.26 C ATOM 774 CD1 TRP A 49 -32.063 22.524 15.612 1.00 0.29 C ATOM 775 CD2 TRP A 49 -31.854 21.075 13.934 1.00 0.23 C ATOM 776 NE1 TRP A 49 -32.232 23.187 14.411 1.00 0.29 N ATOM 777 CE2 TRP A 49 -32.126 22.340 13.341 1.00 0.25 C ATOM 778 CE3 TRP A 49 -31.745 19.975 13.063 1.00 0.22 C ATOM 779 CZ2 TRP A 49 -32.255 22.520 11.960 1.00 0.24 C ATOM 780 CZ3 TRP A 49 -31.784 20.159 11.674 1.00 0.21 C ATOM 781 CH2 TRP A 49 -32.065 21.416 11.118 1.00 0.22 C ATOM 0 H TRP A 49 -32.309 18.935 18.495 1.00 0.23 H new ATOM 0 HA TRP A 49 -29.836 20.295 17.491 1.00 0.24 H new ATOM 0 HB2 TRP A 49 -31.213 19.256 15.832 1.00 0.29 H new ATOM 0 HB3 TRP A 49 -32.681 19.802 16.617 1.00 0.29 H new ATOM 0 HD1 TRP A 49 -32.152 22.976 16.589 1.00 0.29 H new ATOM 0 HE1 TRP A 49 -32.414 24.188 14.332 1.00 0.29 H new ATOM 0 HE3 TRP A 49 -31.630 18.981 13.468 1.00 0.22 H new ATOM 0 HZ2 TRP A 49 -32.496 23.490 11.551 1.00 0.24 H new ATOM 0 HZ3 TRP A 49 -31.595 19.320 11.021 1.00 0.21 H new ATOM 0 HH2 TRP A 49 -32.135 21.532 10.047 1.00 0.22 H new ATOM 792 N SER A 50 -30.306 22.059 19.241 1.00 0.23 N ATOM 793 CA SER A 50 -30.536 23.245 20.022 1.00 0.25 C ATOM 794 C SER A 50 -29.796 24.474 19.523 1.00 0.26 C ATOM 795 O SER A 50 -28.563 24.404 19.356 1.00 0.32 O ATOM 796 CB SER A 50 -30.199 23.072 21.543 1.00 0.26 C ATOM 797 OG SER A 50 -31.126 22.215 22.138 1.00 1.22 O ATOM 0 H SER A 50 -29.343 21.727 19.282 1.00 0.23 H new ATOM 0 HA SER A 50 -31.608 23.401 19.899 1.00 0.25 H new ATOM 0 HB2 SER A 50 -29.192 22.670 21.658 1.00 0.26 H new ATOM 0 HB3 SER A 50 -30.214 24.042 22.041 1.00 0.26 H new ATOM 0 HG SER A 50 -30.910 22.109 23.088 1.00 1.22 H new ATOM 803 N GLN A 51 -30.474 25.575 19.260 1.00 0.26 N ATOM 804 CA GLN A 51 -29.992 26.755 18.602 1.00 0.27 C ATOM 805 C GLN A 51 -30.132 28.013 19.443 1.00 0.28 C ATOM 806 O GLN A 51 -31.056 28.213 20.248 1.00 0.31 O ATOM 807 CB GLN A 51 -30.653 27.089 17.267 1.00 0.35 C ATOM 808 CG GLN A 51 -30.924 25.820 16.311 1.00 0.53 C ATOM 809 CD GLN A 51 -32.044 26.073 15.300 1.00 0.69 C ATOM 810 OE1 GLN A 51 -31.804 26.239 14.113 1.00 1.50 O ATOM 811 NE2 GLN A 51 -33.317 25.902 15.695 1.00 0.53 N ATOM 0 H GLN A 51 -31.454 25.665 19.526 1.00 0.26 H new ATOM 0 HA GLN A 51 -28.950 26.484 18.435 1.00 0.27 H new ATOM 0 HB2 GLN A 51 -31.602 27.588 17.462 1.00 0.35 H new ATOM 0 HB3 GLN A 51 -30.023 27.800 16.733 1.00 0.35 H new ATOM 0 HG2 GLN A 51 -30.007 25.570 15.777 1.00 0.53 H new ATOM 0 HG3 GLN A 51 -31.181 24.956 16.924 1.00 0.53 H new ATOM 0 HE21 GLN A 51 -33.530 25.763 16.683 1.00 0.53 H new ATOM 0 HE22 GLN A 51 -34.070 25.912 15.007 1.00 0.53 H new ATOM 820 N HIS A 52 -29.269 29.006 19.228 1.00 0.36 N ATOM 821 CA HIS A 52 -29.318 30.288 19.956 1.00 0.39 C ATOM 822 C HIS A 52 -29.250 31.473 18.997 1.00 0.41 C ATOM 823 O HIS A 52 -28.306 31.550 18.213 1.00 0.45 O ATOM 824 CB HIS A 52 -28.202 30.337 21.014 1.00 0.41 C ATOM 825 CG HIS A 52 -28.156 29.143 21.944 1.00 0.85 C ATOM 826 ND1 HIS A 52 -28.976 28.922 23.037 1.00 1.08 N ATOM 827 CD2 HIS A 52 -27.249 28.117 21.900 1.00 1.97 C ATOM 828 CE1 HIS A 52 -28.581 27.781 23.635 1.00 1.53 C ATOM 829 NE2 HIS A 52 -27.539 27.274 22.956 1.00 2.21 N ATOM 0 H HIS A 52 -28.513 28.951 18.545 1.00 0.36 H new ATOM 0 HA HIS A 52 -30.275 30.360 20.473 1.00 0.39 H new ATOM 0 HB2 HIS A 52 -27.242 30.421 20.505 1.00 0.41 H new ATOM 0 HB3 HIS A 52 -28.326 31.240 21.611 1.00 0.41 H new ATOM 0 HD2 HIS A 52 -26.457 27.991 21.177 1.00 1.97 H new ATOM 0 HE1 HIS A 52 -29.029 27.345 24.516 1.00 1.53 H new ATOM 0 HE2 HIS A 52 -27.044 26.411 23.182 1.00 2.21 H new ATOM 837 N TYR A 53 -30.081 32.495 19.230 1.00 0.42 N ATOM 838 CA TYR A 53 -29.845 33.824 18.657 1.00 0.45 C ATOM 839 C TYR A 53 -28.622 34.395 19.387 1.00 0.57 C ATOM 840 O TYR A 53 -28.601 34.457 20.626 1.00 0.67 O ATOM 841 CB TYR A 53 -31.023 34.792 18.899 1.00 0.52 C ATOM 842 CG TYR A 53 -32.447 34.367 18.574 1.00 0.55 C ATOM 843 CD1 TYR A 53 -32.741 33.311 17.690 1.00 0.53 C ATOM 844 CD2 TYR A 53 -33.504 35.126 19.116 1.00 0.67 C ATOM 845 CE1 TYR A 53 -34.080 32.996 17.388 1.00 0.62 C ATOM 846 CE2 TYR A 53 -34.841 34.826 18.800 1.00 0.75 C ATOM 847 CZ TYR A 53 -35.130 33.752 17.937 1.00 0.72 C ATOM 848 OH TYR A 53 -36.410 33.380 17.717 1.00 0.84 O ATOM 0 H TYR A 53 -30.919 32.428 19.808 1.00 0.42 H new ATOM 0 HA TYR A 53 -29.711 33.726 17.580 1.00 0.45 H new ATOM 0 HB2 TYR A 53 -31.002 35.068 19.953 1.00 0.52 H new ATOM 0 HB3 TYR A 53 -30.819 35.698 18.328 1.00 0.52 H new ATOM 0 HD1 TYR A 53 -31.939 32.742 17.243 1.00 0.53 H new ATOM 0 HD2 TYR A 53 -33.284 35.948 19.782 1.00 0.67 H new ATOM 0 HE1 TYR A 53 -34.301 32.168 16.730 1.00 0.62 H new ATOM 0 HE2 TYR A 53 -35.643 35.417 19.218 1.00 0.75 H new ATOM 0 HH TYR A 53 -36.942 34.166 17.472 1.00 0.84 H new ATOM 858 N SER A 54 -27.669 34.958 18.649 1.00 0.99 N ATOM 859 CA SER A 54 -26.640 35.811 19.193 1.00 1.16 C ATOM 860 C SER A 54 -27.135 37.144 19.741 1.00 1.53 C ATOM 861 O SER A 54 -27.439 38.120 19.016 1.00 2.11 O ATOM 862 CB SER A 54 -25.639 36.083 18.017 1.00 1.49 C ATOM 863 OG SER A 54 -25.127 34.865 17.467 1.00 2.57 O ATOM 0 H SER A 54 -27.597 34.826 17.640 1.00 0.99 H new ATOM 0 HA SER A 54 -26.195 35.302 20.048 1.00 1.16 H new ATOM 0 HB2 SER A 54 -26.142 36.653 17.235 1.00 1.49 H new ATOM 0 HB3 SER A 54 -24.813 36.696 18.377 1.00 1.49 H new ATOM 0 HG SER A 54 -25.561 34.687 16.606 1.00 2.57 H new ATOM 869 N GLY A 55 -27.240 37.109 21.049 1.00 1.89 N ATOM 870 CA GLY A 55 -28.011 38.079 21.785 1.00 2.45 C ATOM 871 C GLY A 55 -28.925 37.669 22.835 1.00 1.85 C ATOM 872 O GLY A 55 -29.386 38.466 23.661 1.00 2.24 O ATOM 0 H GLY A 55 -26.791 36.404 21.633 1.00 1.89 H new ATOM 0 HA2 GLY A 55 -27.303 38.776 22.233 1.00 2.45 H new ATOM 0 HA3 GLY A 55 -28.594 38.642 21.056 1.00 2.45 H new ATOM 876 N GLY A 56 -29.139 36.350 22.971 1.00 1.21 N ATOM 877 CA GLY A 56 -29.791 35.734 24.140 1.00 1.54 C ATOM 878 C GLY A 56 -31.254 35.344 23.909 1.00 1.32 C ATOM 879 O GLY A 56 -32.166 36.127 24.144 1.00 1.56 O ATOM 0 H GLY A 56 -28.860 35.671 22.262 1.00 1.21 H new ATOM 0 HA2 GLY A 56 -29.231 34.845 24.428 1.00 1.54 H new ATOM 0 HA3 GLY A 56 -29.740 36.428 24.979 1.00 1.54 H new ATOM 883 N HIS A 57 -31.478 34.101 23.465 1.00 0.94 N ATOM 884 CA HIS A 57 -32.744 33.382 23.329 1.00 0.81 C ATOM 885 C HIS A 57 -32.543 32.084 22.597 1.00 0.66 C ATOM 886 O HIS A 57 -31.669 31.978 21.726 1.00 0.63 O ATOM 887 CB HIS A 57 -33.810 34.146 22.560 1.00 0.85 C ATOM 888 CG HIS A 57 -35.033 33.316 22.302 1.00 0.92 C ATOM 889 ND1 HIS A 57 -35.400 32.795 21.092 1.00 0.89 N ATOM 890 CD2 HIS A 57 -36.026 32.984 23.172 1.00 1.08 C ATOM 891 CE1 HIS A 57 -36.630 32.361 21.172 1.00 1.05 C ATOM 892 NE2 HIS A 57 -37.001 32.373 22.436 1.00 1.17 N ATOM 0 H HIS A 57 -30.697 33.519 23.163 1.00 0.94 H new ATOM 0 HA HIS A 57 -33.084 33.233 24.354 1.00 0.81 H new ATOM 0 HB2 HIS A 57 -34.091 35.037 23.121 1.00 0.85 H new ATOM 0 HB3 HIS A 57 -33.397 34.485 21.610 1.00 0.85 H new ATOM 0 HD1 HIS A 57 -34.809 32.752 20.262 1.00 0.89 H new ATOM 0 HD2 HIS A 57 -36.040 33.168 24.236 1.00 1.08 H new ATOM 0 HE1 HIS A 57 -37.241 32.045 20.340 1.00 1.05 H new ATOM 900 N THR A 58 -33.300 31.104 23.047 1.00 0.61 N ATOM 901 CA THR A 58 -32.955 29.694 22.621 1.00 0.54 C ATOM 902 C THR A 58 -34.115 29.046 21.910 1.00 0.53 C ATOM 903 O THR A 58 -35.239 29.174 22.314 1.00 0.64 O ATOM 904 CB THR A 58 -32.490 28.847 23.809 1.00 0.61 C ATOM 905 OG1 THR A 58 -31.405 29.513 24.436 1.00 0.73 O ATOM 906 CG2 THR A 58 -31.962 27.491 23.501 1.00 0.60 C ATOM 0 H THR A 58 -34.107 31.205 23.663 1.00 0.61 H new ATOM 0 HA THR A 58 -32.123 29.755 21.919 1.00 0.54 H new ATOM 0 HB THR A 58 -33.393 28.724 24.408 1.00 0.61 H new ATOM 0 HG1 THR A 58 -30.596 29.401 23.895 1.00 0.73 H new ATOM 0 HG21 THR A 58 -31.668 26.996 24.427 1.00 0.60 H new ATOM 0 HG22 THR A 58 -32.735 26.904 23.005 1.00 0.60 H new ATOM 0 HG23 THR A 58 -31.096 27.578 22.845 1.00 0.60 H new ATOM 914 N MET A 59 -33.811 28.327 20.855 1.00 0.47 N ATOM 915 CA MET A 59 -34.829 27.620 20.113 1.00 0.53 C ATOM 916 C MET A 59 -34.379 26.173 20.170 1.00 0.45 C ATOM 917 O MET A 59 -33.261 25.911 19.666 1.00 0.52 O ATOM 918 CB MET A 59 -34.951 28.038 18.663 1.00 0.70 C ATOM 919 CG MET A 59 -34.675 29.527 18.361 1.00 0.68 C ATOM 920 SD MET A 59 -33.040 29.882 17.784 1.00 1.13 S ATOM 921 CE MET A 59 -33.096 29.651 15.961 1.00 0.46 C ATOM 0 H MET A 59 -32.865 28.216 20.490 1.00 0.47 H new ATOM 0 HA MET A 59 -35.809 27.821 20.546 1.00 0.53 H new ATOM 0 HB2 MET A 59 -34.262 27.434 18.073 1.00 0.70 H new ATOM 0 HB3 MET A 59 -35.958 27.799 18.320 1.00 0.70 H new ATOM 0 HG2 MET A 59 -35.390 29.869 17.613 1.00 0.68 H new ATOM 0 HG3 MET A 59 -34.858 30.106 19.266 1.00 0.68 H new ATOM 0 HE1 MET A 59 -32.401 28.862 15.673 1.00 0.46 H new ATOM 0 HE2 MET A 59 -34.106 29.372 15.660 1.00 0.46 H new ATOM 0 HE3 MET A 59 -32.814 30.581 15.468 1.00 0.46 H new ATOM 931 N THR A 60 -35.033 25.296 20.945 1.00 0.42 N ATOM 932 CA THR A 60 -34.686 23.858 20.999 1.00 0.40 C ATOM 933 C THR A 60 -35.610 22.958 20.202 1.00 0.38 C ATOM 934 O THR A 60 -36.802 22.900 20.502 1.00 0.49 O ATOM 935 CB THR A 60 -34.425 23.270 22.400 1.00 0.54 C ATOM 936 OG1 THR A 60 -35.612 22.822 23.018 1.00 0.68 O ATOM 937 CG2 THR A 60 -33.732 24.208 23.381 1.00 0.53 C ATOM 0 H THR A 60 -35.812 25.555 21.550 1.00 0.42 H new ATOM 0 HA THR A 60 -33.717 23.863 20.501 1.00 0.40 H new ATOM 0 HB THR A 60 -33.748 22.442 22.189 1.00 0.54 H new ATOM 0 HG1 THR A 60 -36.299 22.671 22.336 1.00 0.68 H new ATOM 0 HG21 THR A 60 -33.595 23.700 24.335 1.00 0.53 H new ATOM 0 HG22 THR A 60 -32.760 24.499 22.982 1.00 0.53 H new ATOM 0 HG23 THR A 60 -34.344 25.098 23.528 1.00 0.53 H new ATOM 945 N ASN A 61 -35.019 22.047 19.441 1.00 0.30 N ATOM 946 CA ASN A 61 -35.715 21.179 18.509 1.00 0.29 C ATOM 947 C ASN A 61 -35.302 19.738 18.839 1.00 0.30 C ATOM 948 O ASN A 61 -34.171 19.320 18.591 1.00 0.52 O ATOM 949 CB ASN A 61 -35.364 21.627 17.069 1.00 0.32 C ATOM 950 CG ASN A 61 -35.613 23.111 16.826 1.00 0.45 C ATOM 951 OD1 ASN A 61 -34.933 23.996 17.334 1.00 0.84 O ATOM 952 ND2 ASN A 61 -36.660 23.447 16.120 1.00 0.47 N ATOM 0 H ASN A 61 -34.011 21.889 19.458 1.00 0.30 H new ATOM 0 HA ASN A 61 -36.800 21.236 18.590 1.00 0.29 H new ATOM 0 HB2 ASN A 61 -34.316 21.404 16.871 1.00 0.32 H new ATOM 0 HB3 ASN A 61 -35.953 21.045 16.360 1.00 0.32 H new ATOM 0 HD21 ASN A 61 -36.899 24.431 15.999 1.00 0.47 H new ATOM 0 HD22 ASN A 61 -37.238 22.725 15.690 1.00 0.47 H new ATOM 959 N LYS A 62 -36.136 19.052 19.622 1.00 0.29 N ATOM 960 CA LYS A 62 -35.994 17.605 19.804 1.00 0.29 C ATOM 961 C LYS A 62 -36.748 16.898 18.686 1.00 0.29 C ATOM 962 O LYS A 62 -37.726 17.441 18.178 1.00 0.39 O ATOM 963 CB LYS A 62 -36.482 17.161 21.189 1.00 0.28 C ATOM 964 CG LYS A 62 -35.468 17.422 22.316 1.00 0.31 C ATOM 965 CD LYS A 62 -35.195 18.912 22.596 1.00 0.43 C ATOM 966 CE LYS A 62 -34.324 19.120 23.836 1.00 0.46 C ATOM 967 NZ LYS A 62 -34.995 18.645 25.074 1.00 0.83 N ATOM 0 H LYS A 62 -36.911 19.470 20.137 1.00 0.29 H new ATOM 0 HA LYS A 62 -34.939 17.334 19.753 1.00 0.29 H new ATOM 0 HB2 LYS A 62 -37.411 17.681 21.421 1.00 0.28 H new ATOM 0 HB3 LYS A 62 -36.712 16.096 21.159 1.00 0.28 H new ATOM 0 HG2 LYS A 62 -35.832 16.954 23.231 1.00 0.31 H new ATOM 0 HG3 LYS A 62 -34.527 16.935 22.061 1.00 0.31 H new ATOM 0 HD2 LYS A 62 -34.704 19.358 21.731 1.00 0.43 H new ATOM 0 HD3 LYS A 62 -36.143 19.434 22.729 1.00 0.43 H new ATOM 0 HE2 LYS A 62 -33.380 18.590 23.709 1.00 0.46 H new ATOM 0 HE3 LYS A 62 -34.084 20.178 23.937 1.00 0.46 H new ATOM 0 HZ1 LYS A 62 -34.510 19.039 25.905 1.00 0.83 H new ATOM 0 HZ2 LYS A 62 -35.987 18.957 25.073 1.00 0.83 H new ATOM 0 HZ3 LYS A 62 -34.958 17.606 25.112 1.00 0.83 H new ATOM 981 N PHE A 63 -36.297 15.709 18.321 1.00 0.27 N ATOM 982 CA PHE A 63 -37.046 14.752 17.522 1.00 0.25 C ATOM 983 C PHE A 63 -36.495 13.334 17.709 1.00 0.22 C ATOM 984 O PHE A 63 -35.419 13.142 18.280 1.00 0.22 O ATOM 985 CB PHE A 63 -37.146 15.171 16.039 1.00 0.30 C ATOM 986 CG PHE A 63 -35.831 15.443 15.339 1.00 0.30 C ATOM 987 CD1 PHE A 63 -35.119 16.639 15.568 1.00 0.53 C ATOM 988 CD2 PHE A 63 -35.322 14.490 14.439 1.00 0.34 C ATOM 989 CE1 PHE A 63 -33.898 16.872 14.906 1.00 0.58 C ATOM 990 CE2 PHE A 63 -34.114 14.729 13.770 1.00 0.40 C ATOM 991 CZ PHE A 63 -33.403 15.923 14.001 1.00 0.42 C ATOM 0 H PHE A 63 -35.370 15.372 18.581 1.00 0.27 H new ATOM 0 HA PHE A 63 -38.073 14.747 17.888 1.00 0.25 H new ATOM 0 HB2 PHE A 63 -37.670 14.386 15.494 1.00 0.30 H new ATOM 0 HB3 PHE A 63 -37.762 16.068 15.976 1.00 0.30 H new ATOM 0 HD1 PHE A 63 -35.511 17.377 16.252 1.00 0.53 H new ATOM 0 HD2 PHE A 63 -35.863 13.572 14.263 1.00 0.34 H new ATOM 0 HE1 PHE A 63 -33.344 17.780 15.095 1.00 0.58 H new ATOM 0 HE2 PHE A 63 -33.728 13.997 13.076 1.00 0.40 H new ATOM 0 HZ PHE A 63 -32.475 16.107 13.480 1.00 0.42 H new ATOM 1001 N THR A 64 -37.219 12.359 17.178 1.00 0.21 N ATOM 1002 CA THR A 64 -36.814 10.997 17.129 1.00 0.19 C ATOM 1003 C THR A 64 -36.923 10.692 15.641 1.00 0.18 C ATOM 1004 O THR A 64 -37.958 10.908 15.054 1.00 0.21 O ATOM 1005 CB THR A 64 -37.769 10.077 17.872 1.00 0.22 C ATOM 1006 OG1 THR A 64 -37.568 10.334 19.257 1.00 0.29 O ATOM 1007 CG2 THR A 64 -37.572 8.517 17.674 1.00 0.21 C ATOM 0 H THR A 64 -38.135 12.520 16.759 1.00 0.21 H new ATOM 0 HA THR A 64 -35.834 10.845 17.581 1.00 0.19 H new ATOM 0 HB THR A 64 -38.759 10.297 17.474 1.00 0.22 H new ATOM 0 HG1 THR A 64 -36.651 10.092 19.505 1.00 0.29 H new ATOM 0 HG21 THR A 64 -38.318 7.979 18.259 1.00 0.21 H new ATOM 0 HG22 THR A 64 -37.688 8.267 16.620 1.00 0.21 H new ATOM 0 HG23 THR A 64 -36.574 8.231 18.007 1.00 0.21 H new ATOM 1015 N VAL A 65 -35.772 10.555 14.990 1.00 0.18 N ATOM 1016 CA VAL A 65 -35.758 10.321 13.554 1.00 0.19 C ATOM 1017 C VAL A 65 -36.553 9.074 13.180 1.00 0.18 C ATOM 1018 O VAL A 65 -36.709 8.151 13.973 1.00 0.25 O ATOM 1019 CB VAL A 65 -34.348 10.406 12.956 1.00 0.28 C ATOM 1020 CG1 VAL A 65 -33.614 9.065 12.993 1.00 0.60 C ATOM 1021 CG2 VAL A 65 -34.411 10.921 11.515 1.00 0.86 C ATOM 0 H VAL A 65 -34.852 10.601 15.427 1.00 0.18 H new ATOM 0 HA VAL A 65 -36.289 11.143 13.073 1.00 0.19 H new ATOM 0 HB VAL A 65 -33.785 11.105 13.574 1.00 0.28 H new ATOM 0 HG11 VAL A 65 -32.621 9.181 12.558 1.00 0.60 H new ATOM 0 HG12 VAL A 65 -33.520 8.730 14.026 1.00 0.60 H new ATOM 0 HG13 VAL A 65 -34.176 8.327 12.422 1.00 0.60 H new ATOM 0 HG21 VAL A 65 -33.403 10.976 11.104 1.00 0.86 H new ATOM 0 HG22 VAL A 65 -35.012 10.241 10.912 1.00 0.86 H new ATOM 0 HG23 VAL A 65 -34.863 11.913 11.503 1.00 0.86 H new ATOM 1031 N GLY A 66 -37.273 9.153 12.075 1.00 0.16 N ATOM 1032 CA GLY A 66 -38.125 8.068 11.659 1.00 0.19 C ATOM 1033 C GLY A 66 -39.539 8.211 12.174 1.00 0.20 C ATOM 1034 O GLY A 66 -40.397 7.344 11.953 1.00 0.26 O ATOM 0 H GLY A 66 -37.280 9.961 11.453 1.00 0.16 H new ATOM 0 HA2 GLY A 66 -38.142 8.020 10.570 1.00 0.19 H new ATOM 0 HA3 GLY A 66 -37.707 7.126 12.013 1.00 0.19 H new ATOM 1038 N LYS A 67 -39.772 9.198 13.044 1.00 0.18 N ATOM 1039 CA LYS A 67 -40.966 9.276 13.806 1.00 0.20 C ATOM 1040 C LYS A 67 -41.662 10.631 13.568 1.00 0.21 C ATOM 1041 O LYS A 67 -41.117 11.749 13.460 1.00 0.41 O ATOM 1042 CB LYS A 67 -40.775 9.087 15.351 1.00 0.35 C ATOM 1043 CG LYS A 67 -42.024 9.144 16.301 1.00 0.36 C ATOM 1044 CD LYS A 67 -41.721 8.803 17.789 1.00 0.65 C ATOM 1045 CE LYS A 67 -42.972 8.662 18.609 1.00 0.84 C ATOM 1046 NZ LYS A 67 -42.717 8.183 19.961 1.00 1.54 N ATOM 0 H LYS A 67 -39.116 9.959 13.222 1.00 0.18 H new ATOM 0 HA LYS A 67 -41.574 8.441 13.457 1.00 0.20 H new ATOM 0 HB2 LYS A 67 -40.293 8.121 15.504 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -40.074 9.850 15.688 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -42.457 10.143 16.252 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -42.779 8.451 15.929 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -41.151 7.875 17.838 1.00 0.65 H new ATOM 0 HD3 LYS A 67 -41.094 9.585 18.218 1.00 0.65 H new ATOM 0 HE2 LYS A 67 -43.476 9.627 18.661 1.00 0.84 H new ATOM 0 HE3 LYS A 67 -43.652 7.973 18.108 1.00 0.84 H new ATOM 0 HZ1 LYS A 67 -43.616 8.106 20.477 1.00 1.54 H new ATOM 0 HZ2 LYS A 67 -42.261 7.249 19.918 1.00 1.54 H new ATOM 0 HZ3 LYS A 67 -42.091 8.851 20.454 1.00 1.54 H new ATOM 1060 N GLU A 68 -42.975 10.540 13.341 1.00 0.20 N ATOM 1061 CA GLU A 68 -43.904 11.591 13.256 1.00 0.23 C ATOM 1062 C GLU A 68 -44.291 12.242 14.593 1.00 0.29 C ATOM 1063 O GLU A 68 -44.351 11.629 15.661 1.00 0.38 O ATOM 1064 CB GLU A 68 -45.238 11.168 12.527 1.00 0.28 C ATOM 1065 CG GLU A 68 -45.933 12.267 11.639 1.00 0.36 C ATOM 1066 CD GLU A 68 -47.036 11.635 10.842 1.00 0.49 C ATOM 1067 OE1 GLU A 68 -47.985 11.024 11.471 1.00 0.62 O ATOM 1068 OE2 GLU A 68 -47.069 11.868 9.569 1.00 0.57 O ATOM 0 H GLU A 68 -43.421 9.633 13.204 1.00 0.20 H new ATOM 0 HA GLU A 68 -43.359 12.331 12.670 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -45.023 10.306 11.896 1.00 0.28 H new ATOM 0 HB3 GLU A 68 -45.951 10.840 13.284 1.00 0.28 H new ATOM 0 HG2 GLU A 68 -46.333 13.061 12.270 1.00 0.36 H new ATOM 0 HG3 GLU A 68 -45.204 12.727 10.972 1.00 0.36 H new ATOM 1075 N SER A 69 -44.770 13.483 14.457 1.00 0.29 N ATOM 1076 CA SER A 69 -45.501 14.276 15.454 1.00 0.34 C ATOM 1077 C SER A 69 -44.718 14.767 16.674 1.00 0.34 C ATOM 1078 O SER A 69 -45.333 15.380 17.551 1.00 0.40 O ATOM 1079 CB SER A 69 -46.826 13.602 15.835 1.00 0.43 C ATOM 1080 OG SER A 69 -47.663 13.505 14.693 1.00 1.30 O ATOM 0 H SER A 69 -44.649 13.998 13.585 1.00 0.29 H new ATOM 0 HA SER A 69 -45.708 15.211 14.933 1.00 0.34 H new ATOM 0 HB2 SER A 69 -46.635 12.609 16.243 1.00 0.43 H new ATOM 0 HB3 SER A 69 -47.325 14.176 16.615 1.00 0.43 H new ATOM 0 HG SER A 69 -48.507 13.073 14.941 1.00 1.30 H new ATOM 1086 N ASN A 70 -43.376 14.749 16.663 1.00 0.32 N ATOM 1087 CA ASN A 70 -42.646 15.187 17.905 1.00 0.38 C ATOM 1088 C ASN A 70 -41.613 16.215 17.498 1.00 0.34 C ATOM 1089 O ASN A 70 -40.466 16.163 17.946 1.00 0.37 O ATOM 1090 CB ASN A 70 -41.917 14.001 18.513 1.00 0.49 C ATOM 1091 CG ASN A 70 -42.839 13.157 19.320 1.00 0.63 C ATOM 1092 OD1 ASN A 70 -43.744 12.547 18.772 1.00 0.98 O ATOM 1093 ND2 ASN A 70 -42.592 13.080 20.652 1.00 0.85 N ATOM 0 H ASN A 70 -42.791 14.461 15.878 1.00 0.32 H new ATOM 0 HA ASN A 70 -43.352 15.596 18.628 1.00 0.38 H new ATOM 0 HB2 ASN A 70 -41.470 13.401 17.721 1.00 0.49 H new ATOM 0 HB3 ASN A 70 -41.101 14.356 19.142 1.00 0.49 H new ATOM 0 HD21 ASN A 70 -43.176 12.491 21.246 1.00 0.85 H new ATOM 0 HD22 ASN A 70 -41.822 13.611 21.059 1.00 0.85 H new ATOM 1100 N ILE A 71 -41.911 17.032 16.448 1.00 0.30 N ATOM 1101 CA ILE A 71 -40.958 17.766 15.709 1.00 0.28 C ATOM 1102 C ILE A 71 -41.271 19.210 15.706 1.00 0.29 C ATOM 1103 O ILE A 71 -42.426 19.523 15.371 1.00 0.30 O ATOM 1104 CB ILE A 71 -41.042 17.254 14.276 1.00 0.24 C ATOM 1105 CG1 ILE A 71 -41.093 15.700 14.146 1.00 0.24 C ATOM 1106 CG2 ILE A 71 -39.827 17.688 13.513 1.00 0.23 C ATOM 1107 CD1 ILE A 71 -42.117 15.333 13.145 1.00 0.24 C ATOM 0 H ILE A 71 -42.866 17.172 16.117 1.00 0.30 H new ATOM 0 HA ILE A 71 -39.969 17.638 16.149 1.00 0.28 H new ATOM 0 HB ILE A 71 -41.972 17.668 13.887 1.00 0.24 H new ATOM 0 HG12 ILE A 71 -40.118 15.315 13.846 1.00 0.24 H new ATOM 0 HG13 ILE A 71 -41.330 15.249 15.110 1.00 0.24 H new ATOM 0 HG21 ILE A 71 -39.890 17.320 12.489 1.00 0.23 H new ATOM 0 HG22 ILE A 71 -39.772 18.777 13.505 1.00 0.23 H new ATOM 0 HG23 ILE A 71 -38.934 17.283 13.990 1.00 0.23 H new ATOM 0 HD11 ILE A 71 -42.159 14.248 13.048 1.00 0.24 H new ATOM 0 HD12 ILE A 71 -43.090 15.706 13.466 1.00 0.24 H new ATOM 0 HD13 ILE A 71 -41.859 15.773 12.182 1.00 0.24 H new ATOM 1119 N GLN A 72 -40.268 20.041 16.121 1.00 0.29 N ATOM 1120 CA GLN A 72 -40.527 21.506 16.295 1.00 0.33 C ATOM 1121 C GLN A 72 -39.687 22.420 15.328 1.00 0.31 C ATOM 1122 O GLN A 72 -38.691 21.977 14.764 1.00 0.29 O ATOM 1123 CB GLN A 72 -40.229 22.008 17.730 1.00 0.38 C ATOM 1124 CG GLN A 72 -41.130 21.635 18.928 1.00 0.46 C ATOM 1125 CD GLN A 72 -40.937 20.113 19.357 1.00 0.95 C ATOM 1126 OE1 GLN A 72 -39.850 19.694 19.809 1.00 1.15 O ATOM 1127 NE2 GLN A 72 -41.968 19.305 19.024 1.00 1.96 N ATOM 0 H GLN A 72 -39.316 19.742 16.333 1.00 0.29 H new ATOM 0 HA GLN A 72 -41.589 21.592 16.064 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -39.221 21.674 17.978 1.00 0.38 H new ATOM 0 HB3 GLN A 72 -40.201 23.097 17.684 1.00 0.38 H new ATOM 0 HG2 GLN A 72 -40.899 22.284 19.773 1.00 0.46 H new ATOM 0 HG3 GLN A 72 -42.174 21.810 18.667 1.00 0.46 H new ATOM 0 HE21 GLN A 72 -42.832 19.705 18.659 1.00 1.96 H new ATOM 0 HE22 GLN A 72 -41.882 18.295 19.137 1.00 1.96 H new ATOM 1136 N THR A 73 -40.233 23.624 15.075 1.00 0.36 N ATOM 1137 CA THR A 73 -39.705 24.743 14.257 1.00 0.38 C ATOM 1138 C THR A 73 -38.752 25.697 14.998 1.00 0.42 C ATOM 1139 O THR A 73 -38.564 25.578 16.208 1.00 0.43 O ATOM 1140 CB THR A 73 -40.845 25.580 13.645 1.00 0.42 C ATOM 1141 OG1 THR A 73 -41.485 26.321 14.663 1.00 0.48 O ATOM 1142 CG2 THR A 73 -41.853 24.787 12.816 1.00 0.40 C ATOM 0 H THR A 73 -41.140 23.865 15.473 1.00 0.36 H new ATOM 0 HA THR A 73 -39.124 24.244 13.481 1.00 0.38 H new ATOM 0 HB THR A 73 -40.378 26.253 12.926 1.00 0.42 H new ATOM 0 HG1 THR A 73 -42.051 27.011 14.259 1.00 0.48 H new ATOM 0 HG21 THR A 73 -42.616 25.462 12.428 1.00 0.40 H new ATOM 0 HG22 THR A 73 -41.340 24.303 11.985 1.00 0.40 H new ATOM 0 HG23 THR A 73 -42.324 24.029 13.443 1.00 0.40 H new ATOM 1150 N MET A 74 -38.256 26.743 14.317 1.00 0.45 N ATOM 1151 CA MET A 74 -37.554 27.884 14.941 1.00 0.51 C ATOM 1152 C MET A 74 -38.385 28.588 16.021 1.00 0.60 C ATOM 1153 O MET A 74 -37.850 29.004 17.044 1.00 0.78 O ATOM 1154 CB MET A 74 -37.199 28.950 13.886 1.00 0.63 C ATOM 1155 CG MET A 74 -36.260 28.453 12.788 1.00 0.69 C ATOM 1156 SD MET A 74 -34.724 27.724 13.397 1.00 1.11 S ATOM 1157 CE MET A 74 -33.799 27.579 11.847 1.00 0.59 C ATOM 0 H MET A 74 -38.331 26.824 13.303 1.00 0.45 H new ATOM 0 HA MET A 74 -36.662 27.455 15.398 1.00 0.51 H new ATOM 0 HB2 MET A 74 -38.119 29.311 13.426 1.00 0.63 H new ATOM 0 HB3 MET A 74 -36.737 29.801 14.386 1.00 0.63 H new ATOM 0 HG2 MET A 74 -36.785 27.713 12.184 1.00 0.69 H new ATOM 0 HG3 MET A 74 -36.017 29.287 12.129 1.00 0.69 H new ATOM 0 HE1 MET A 74 -32.739 27.454 12.066 1.00 0.59 H new ATOM 0 HE2 MET A 74 -34.159 26.715 11.288 1.00 0.59 H new ATOM 0 HE3 MET A 74 -33.942 28.481 11.252 1.00 0.59 H new ATOM 1167 N GLY A 75 -39.702 28.635 15.818 1.00 0.57 N ATOM 1168 CA GLY A 75 -40.690 29.194 16.724 1.00 0.65 C ATOM 1169 C GLY A 75 -41.041 28.303 17.854 1.00 0.64 C ATOM 1170 O GLY A 75 -41.743 28.671 18.737 1.00 0.73 O ATOM 0 H GLY A 75 -40.125 28.262 14.968 1.00 0.57 H new ATOM 0 HA2 GLY A 75 -40.312 30.136 17.121 1.00 0.65 H new ATOM 0 HA3 GLY A 75 -41.595 29.425 16.162 1.00 0.65 H new ATOM 1174 N GLY A 76 -40.638 27.043 17.775 1.00 0.56 N ATOM 1175 CA GLY A 76 -41.063 26.011 18.720 1.00 0.57 C ATOM 1176 C GLY A 76 -42.303 25.321 18.294 1.00 0.58 C ATOM 1177 O GLY A 76 -42.902 24.631 19.146 1.00 0.63 O ATOM 0 H GLY A 76 -40.004 26.703 17.052 1.00 0.56 H new ATOM 0 HA2 GLY A 76 -40.265 25.278 18.834 1.00 0.57 H new ATOM 0 HA3 GLY A 76 -41.222 26.464 19.699 1.00 0.57 H new ATOM 1181 N LYS A 77 -42.877 25.515 17.062 1.00 0.54 N ATOM 1182 CA LYS A 77 -44.187 25.038 16.673 1.00 0.56 C ATOM 1183 C LYS A 77 -44.026 23.599 16.201 1.00 0.49 C ATOM 1184 O LYS A 77 -43.475 23.229 15.208 1.00 0.43 O ATOM 1185 CB LYS A 77 -44.834 25.892 15.582 1.00 0.59 C ATOM 1186 CG LYS A 77 -46.312 25.538 15.316 1.00 0.67 C ATOM 1187 CD LYS A 77 -46.842 26.317 14.138 1.00 0.74 C ATOM 1188 CE LYS A 77 -46.836 27.784 14.193 1.00 1.17 C ATOM 1189 NZ LYS A 77 -45.641 28.426 13.618 1.00 1.76 N ATOM 0 H LYS A 77 -42.404 26.024 16.316 1.00 0.54 H new ATOM 0 HA LYS A 77 -44.856 25.103 17.531 1.00 0.56 H new ATOM 0 HB2 LYS A 77 -44.766 26.942 15.866 1.00 0.59 H new ATOM 0 HB3 LYS A 77 -44.269 25.775 14.657 1.00 0.59 H new ATOM 0 HG2 LYS A 77 -46.406 24.469 15.124 1.00 0.67 H new ATOM 0 HG3 LYS A 77 -46.909 25.757 16.201 1.00 0.67 H new ATOM 0 HD2 LYS A 77 -46.268 26.018 13.261 1.00 0.74 H new ATOM 0 HD3 LYS A 77 -47.871 25.998 13.969 1.00 0.74 H new ATOM 0 HE2 LYS A 77 -47.717 28.155 13.669 1.00 1.17 H new ATOM 0 HE3 LYS A 77 -46.930 28.094 15.234 1.00 1.17 H new ATOM 0 HZ1 LYS A 77 -45.771 29.458 13.610 1.00 1.76 H new ATOM 0 HZ2 LYS A 77 -44.808 28.187 14.193 1.00 1.76 H new ATOM 0 HZ3 LYS A 77 -45.499 28.087 12.645 1.00 1.76 H new ATOM 1203 N THR A 78 -44.626 22.686 16.964 1.00 0.50 N ATOM 1204 CA THR A 78 -44.694 21.288 16.731 1.00 0.45 C ATOM 1205 C THR A 78 -45.475 21.002 15.383 1.00 0.44 C ATOM 1206 O THR A 78 -46.537 21.627 15.194 1.00 0.51 O ATOM 1207 CB THR A 78 -45.329 20.487 17.846 1.00 0.50 C ATOM 1208 OG1 THR A 78 -44.519 20.722 18.962 1.00 0.54 O ATOM 1209 CG2 THR A 78 -45.250 18.984 17.606 1.00 0.45 C ATOM 0 H THR A 78 -45.108 22.951 17.823 1.00 0.50 H new ATOM 0 HA THR A 78 -43.657 20.958 16.671 1.00 0.45 H new ATOM 0 HB THR A 78 -46.376 20.775 17.942 1.00 0.50 H new ATOM 0 HG1 THR A 78 -44.873 20.231 19.733 1.00 0.54 H new ATOM 0 HG21 THR A 78 -45.721 18.458 18.436 1.00 0.45 H new ATOM 0 HG22 THR A 78 -45.767 18.736 16.679 1.00 0.45 H new ATOM 0 HG23 THR A 78 -44.205 18.682 17.530 1.00 0.45 H new ATOM 1217 N PHE A 79 -44.980 20.146 14.497 1.00 0.35 N ATOM 1218 CA PHE A 79 -45.711 19.664 13.329 1.00 0.32 C ATOM 1219 C PHE A 79 -45.612 18.152 13.100 1.00 0.30 C ATOM 1220 O PHE A 79 -45.007 17.437 13.900 1.00 0.32 O ATOM 1221 CB PHE A 79 -45.514 20.536 12.070 1.00 0.29 C ATOM 1222 CG PHE A 79 -44.106 20.894 11.621 1.00 0.26 C ATOM 1223 CD1 PHE A 79 -43.000 20.074 11.923 1.00 0.24 C ATOM 1224 CD2 PHE A 79 -43.939 21.981 10.740 1.00 0.27 C ATOM 1225 CE1 PHE A 79 -41.746 20.337 11.344 1.00 0.22 C ATOM 1226 CE2 PHE A 79 -42.688 22.238 10.154 1.00 0.26 C ATOM 1227 CZ PHE A 79 -41.595 21.406 10.446 1.00 0.23 C ATOM 0 H PHE A 79 -44.039 19.759 14.571 1.00 0.35 H new ATOM 0 HA PHE A 79 -46.763 19.803 13.579 1.00 0.32 H new ATOM 0 HB2 PHE A 79 -46.002 20.026 11.240 1.00 0.29 H new ATOM 0 HB3 PHE A 79 -46.053 21.470 12.232 1.00 0.29 H new ATOM 0 HD1 PHE A 79 -43.116 19.241 12.601 1.00 0.24 H new ATOM 0 HD2 PHE A 79 -44.779 22.621 10.514 1.00 0.27 H new ATOM 0 HE1 PHE A 79 -40.898 19.716 11.590 1.00 0.22 H new ATOM 0 HE2 PHE A 79 -42.567 23.074 9.480 1.00 0.26 H new ATOM 0 HZ PHE A 79 -40.638 21.588 9.980 1.00 0.23 H new ATOM 1237 N LYS A 80 -46.299 17.649 12.073 1.00 0.30 N ATOM 1238 CA LYS A 80 -46.442 16.217 11.779 1.00 0.31 C ATOM 1239 C LYS A 80 -45.851 15.920 10.401 1.00 0.27 C ATOM 1240 O LYS A 80 -46.423 16.361 9.410 1.00 0.27 O ATOM 1241 CB LYS A 80 -47.929 15.813 11.794 1.00 0.37 C ATOM 1242 CG LYS A 80 -48.727 16.279 13.020 1.00 0.76 C ATOM 1243 CD LYS A 80 -50.176 15.800 12.877 1.00 0.51 C ATOM 1244 CE LYS A 80 -51.060 16.365 13.992 1.00 1.43 C ATOM 1245 NZ LYS A 80 -52.469 15.925 13.826 1.00 1.96 N ATOM 0 H LYS A 80 -46.787 18.242 11.401 1.00 0.30 H new ATOM 0 HA LYS A 80 -45.912 15.646 12.541 1.00 0.31 H new ATOM 0 HB2 LYS A 80 -48.405 16.212 10.899 1.00 0.37 H new ATOM 0 HB3 LYS A 80 -47.993 14.727 11.732 1.00 0.37 H new ATOM 0 HG2 LYS A 80 -48.285 15.878 13.932 1.00 0.76 H new ATOM 0 HG3 LYS A 80 -48.695 17.366 13.101 1.00 0.76 H new ATOM 0 HD2 LYS A 80 -50.569 16.107 11.908 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -50.206 14.711 12.903 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -50.684 16.037 14.961 1.00 1.43 H new ATOM 0 HE3 LYS A 80 -51.011 17.454 13.983 1.00 1.43 H new ATOM 0 HZ1 LYS A 80 -53.049 16.320 14.593 1.00 1.96 H new ATOM 0 HZ2 LYS A 80 -52.832 16.260 12.910 1.00 1.96 H new ATOM 0 HZ3 LYS A 80 -52.514 14.886 13.858 1.00 1.96 H new ATOM 1259 N ALA A 81 -44.672 15.305 10.357 1.00 0.25 N ATOM 1260 CA ALA A 81 -44.117 14.678 9.136 1.00 0.21 C ATOM 1261 C ALA A 81 -43.099 13.605 9.587 1.00 0.20 C ATOM 1262 O ALA A 81 -42.636 13.611 10.676 1.00 0.22 O ATOM 1263 CB ALA A 81 -43.602 15.704 8.096 1.00 0.19 C ATOM 0 H ALA A 81 -44.061 15.221 11.169 1.00 0.25 H new ATOM 0 HA ALA A 81 -44.902 14.178 8.569 1.00 0.21 H new ATOM 0 HB1 ALA A 81 -43.209 15.176 7.227 1.00 0.19 H new ATOM 0 HB2 ALA A 81 -44.422 16.352 7.787 1.00 0.19 H new ATOM 0 HB3 ALA A 81 -42.811 16.308 8.541 1.00 0.19 H new ATOM 1269 N THR A 82 -42.757 12.628 8.747 1.00 0.19 N ATOM 1270 CA THR A 82 -41.752 11.595 9.109 1.00 0.18 C ATOM 1271 C THR A 82 -40.336 12.046 8.744 1.00 0.16 C ATOM 1272 O THR A 82 -40.007 12.118 7.553 1.00 0.18 O ATOM 1273 CB THR A 82 -42.100 10.244 8.466 1.00 0.23 C ATOM 1274 OG1 THR A 82 -43.373 9.835 8.913 1.00 0.28 O ATOM 1275 CG2 THR A 82 -41.127 9.138 8.869 1.00 0.24 C ATOM 0 H THR A 82 -43.152 12.519 7.813 1.00 0.19 H new ATOM 0 HA THR A 82 -41.779 11.462 10.191 1.00 0.18 H new ATOM 0 HB THR A 82 -42.058 10.390 7.387 1.00 0.23 H new ATOM 0 HG1 THR A 82 -43.602 8.974 8.505 1.00 0.28 H new ATOM 0 HG21 THR A 82 -41.418 8.204 8.388 1.00 0.24 H new ATOM 0 HG22 THR A 82 -40.119 9.409 8.556 1.00 0.24 H new ATOM 0 HG23 THR A 82 -41.149 9.010 9.951 1.00 0.24 H new ATOM 1283 N VAL A 83 -39.515 12.429 9.739 1.00 0.14 N ATOM 1284 CA VAL A 83 -38.143 12.901 9.432 1.00 0.14 C ATOM 1285 C VAL A 83 -37.227 11.673 9.194 1.00 0.15 C ATOM 1286 O VAL A 83 -37.433 10.591 9.811 1.00 0.18 O ATOM 1287 CB VAL A 83 -37.614 13.576 10.636 1.00 0.14 C ATOM 1288 CG1 VAL A 83 -36.277 14.211 10.278 1.00 0.17 C ATOM 1289 CG2 VAL A 83 -38.685 14.603 11.159 1.00 0.17 C ATOM 0 H VAL A 83 -39.760 12.424 10.729 1.00 0.14 H new ATOM 0 HA VAL A 83 -38.167 13.557 8.562 1.00 0.14 H new ATOM 0 HB VAL A 83 -37.431 12.878 11.453 1.00 0.14 H new ATOM 0 HG11 VAL A 83 -35.868 14.716 11.153 1.00 0.17 H new ATOM 0 HG12 VAL A 83 -35.584 13.437 9.948 1.00 0.17 H new ATOM 0 HG13 VAL A 83 -36.421 14.935 9.476 1.00 0.17 H new ATOM 0 HG21 VAL A 83 -38.303 15.106 12.047 1.00 0.17 H new ATOM 0 HG22 VAL A 83 -38.890 15.341 10.384 1.00 0.17 H new ATOM 0 HG23 VAL A 83 -39.605 14.074 11.409 1.00 0.17 H new ATOM 1299 N GLN A 84 -36.426 11.706 8.129 1.00 0.14 N ATOM 1300 CA GLN A 84 -35.744 10.524 7.561 1.00 0.15 C ATOM 1301 C GLN A 84 -34.243 10.767 7.303 1.00 0.15 C ATOM 1302 O GLN A 84 -33.811 11.921 7.329 1.00 0.16 O ATOM 1303 CB GLN A 84 -36.527 10.027 6.326 1.00 0.17 C ATOM 1304 CG GLN A 84 -36.666 11.061 5.189 1.00 0.19 C ATOM 1305 CD GLN A 84 -37.979 10.996 4.409 1.00 0.24 C ATOM 1306 OE1 GLN A 84 -38.054 10.522 3.292 1.00 0.51 O ATOM 1307 NE2 GLN A 84 -39.115 11.175 5.040 1.00 0.52 N ATOM 0 H GLN A 84 -36.224 12.567 7.621 1.00 0.14 H new ATOM 0 HA GLN A 84 -35.750 9.721 8.298 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -36.032 9.139 5.932 1.00 0.17 H new ATOM 0 HB3 GLN A 84 -37.524 9.721 6.644 1.00 0.17 H new ATOM 0 HG2 GLN A 84 -36.563 12.060 5.613 1.00 0.19 H new ATOM 0 HG3 GLN A 84 -35.840 10.924 4.491 1.00 0.19 H new ATOM 0 HE21 GLN A 84 -39.119 11.569 5.981 1.00 0.52 H new ATOM 0 HE22 GLN A 84 -39.994 10.920 4.590 1.00 0.52 H new ATOM 1316 N MET A 85 -33.442 9.694 7.129 1.00 0.16 N ATOM 1317 CA MET A 85 -31.954 9.701 7.113 1.00 0.17 C ATOM 1318 C MET A 85 -31.282 9.267 5.788 1.00 0.20 C ATOM 1319 O MET A 85 -30.470 8.343 5.751 1.00 0.22 O ATOM 1320 CB MET A 85 -31.360 8.945 8.317 1.00 0.21 C ATOM 1321 CG MET A 85 -31.505 9.746 9.608 1.00 0.21 C ATOM 1322 SD MET A 85 -30.349 9.295 10.932 1.00 0.23 S ATOM 1323 CE MET A 85 -28.805 10.026 10.320 1.00 0.19 C ATOM 0 H MET A 85 -33.825 8.759 6.990 1.00 0.16 H new ATOM 0 HA MET A 85 -31.708 10.759 7.200 1.00 0.17 H new ATOM 0 HB2 MET A 85 -31.860 7.983 8.427 1.00 0.21 H new ATOM 0 HB3 MET A 85 -30.306 8.737 8.133 1.00 0.21 H new ATOM 0 HG2 MET A 85 -31.373 10.803 9.377 1.00 0.21 H new ATOM 0 HG3 MET A 85 -32.523 9.625 9.979 1.00 0.21 H new ATOM 0 HE1 MET A 85 -28.019 9.891 11.063 1.00 0.19 H new ATOM 0 HE2 MET A 85 -28.514 9.536 9.391 1.00 0.19 H new ATOM 0 HE3 MET A 85 -28.954 11.090 10.138 1.00 0.19 H new ATOM 1333 N GLU A 86 -31.518 10.005 4.709 1.00 0.26 N ATOM 1334 CA GLU A 86 -31.047 9.661 3.355 1.00 0.31 C ATOM 1335 C GLU A 86 -29.517 9.766 3.176 1.00 0.31 C ATOM 1336 O GLU A 86 -28.975 10.857 3.015 1.00 0.34 O ATOM 1337 CB GLU A 86 -31.781 10.571 2.351 1.00 0.40 C ATOM 1338 CG GLU A 86 -33.265 10.205 2.203 1.00 0.41 C ATOM 1339 CD GLU A 86 -33.416 8.771 1.686 1.00 0.95 C ATOM 1340 OE1 GLU A 86 -33.360 8.529 0.462 1.00 1.35 O ATOM 1341 OE2 GLU A 86 -33.593 7.903 2.566 1.00 1.53 O ATOM 0 H GLU A 86 -32.050 10.875 4.742 1.00 0.26 H new ATOM 0 HA GLU A 86 -31.277 8.610 3.177 1.00 0.31 H new ATOM 0 HB2 GLU A 86 -31.696 11.608 2.676 1.00 0.40 H new ATOM 0 HB3 GLU A 86 -31.294 10.501 1.378 1.00 0.40 H new ATOM 0 HG2 GLU A 86 -33.768 10.306 3.165 1.00 0.41 H new ATOM 0 HG3 GLU A 86 -33.750 10.898 1.516 1.00 0.41 H new ATOM 1348 N GLY A 87 -28.744 8.682 3.296 1.00 0.36 N ATOM 1349 CA GLY A 87 -27.235 8.672 3.206 1.00 0.43 C ATOM 1350 C GLY A 87 -26.536 9.417 4.283 1.00 0.50 C ATOM 1351 O GLY A 87 -25.308 9.663 4.200 1.00 1.05 O ATOM 0 H GLY A 87 -29.134 7.754 3.462 1.00 0.36 H new ATOM 0 HA2 GLY A 87 -26.892 7.637 3.220 1.00 0.43 H new ATOM 0 HA3 GLY A 87 -26.941 9.093 2.244 1.00 0.43 H new ATOM 1355 N GLY A 88 -27.271 9.768 5.351 1.00 0.30 N ATOM 1356 CA GLY A 88 -26.816 10.547 6.512 1.00 0.25 C ATOM 1357 C GLY A 88 -27.461 11.935 6.671 1.00 0.24 C ATOM 1358 O GLY A 88 -27.288 12.550 7.721 1.00 0.36 O ATOM 0 H GLY A 88 -28.252 9.501 5.431 1.00 0.30 H new ATOM 0 HA2 GLY A 88 -27.012 9.969 7.415 1.00 0.25 H new ATOM 0 HA3 GLY A 88 -25.736 10.673 6.442 1.00 0.25 H new ATOM 1362 N LYS A 89 -28.205 12.393 5.640 1.00 0.19 N ATOM 1363 CA LYS A 89 -28.969 13.660 5.586 1.00 0.18 C ATOM 1364 C LYS A 89 -30.186 13.621 6.521 1.00 0.15 C ATOM 1365 O LYS A 89 -30.950 12.673 6.397 1.00 0.16 O ATOM 1366 CB LYS A 89 -29.521 13.907 4.163 1.00 0.22 C ATOM 1367 CG LYS A 89 -28.507 13.945 3.007 1.00 0.26 C ATOM 1368 CD LYS A 89 -29.228 13.770 1.656 1.00 0.60 C ATOM 1369 CE LYS A 89 -28.323 13.294 0.515 1.00 1.62 C ATOM 1370 NZ LYS A 89 -27.338 14.324 0.117 1.00 2.70 N ATOM 0 H LYS A 89 -28.294 11.859 4.775 1.00 0.19 H new ATOM 0 HA LYS A 89 -28.277 14.447 5.886 1.00 0.18 H new ATOM 0 HB2 LYS A 89 -30.251 13.128 3.945 1.00 0.22 H new ATOM 0 HB3 LYS A 89 -30.059 14.855 4.170 1.00 0.22 H new ATOM 0 HG2 LYS A 89 -27.967 14.892 3.019 1.00 0.26 H new ATOM 0 HG3 LYS A 89 -27.767 13.155 3.137 1.00 0.26 H new ATOM 0 HD2 LYS A 89 -30.041 13.055 1.781 1.00 0.60 H new ATOM 0 HD3 LYS A 89 -29.680 14.721 1.373 1.00 0.60 H new ATOM 0 HE2 LYS A 89 -27.797 12.390 0.823 1.00 1.62 H new ATOM 0 HE3 LYS A 89 -28.936 13.028 -0.346 1.00 1.62 H new ATOM 0 HZ1 LYS A 89 -27.191 14.284 -0.912 1.00 2.70 H new ATOM 0 HZ2 LYS A 89 -27.694 15.265 0.380 1.00 2.70 H new ATOM 0 HZ3 LYS A 89 -26.436 14.148 0.603 1.00 2.70 H new ATOM 1384 N LEU A 90 -30.576 14.731 7.163 1.00 0.16 N ATOM 1385 CA LEU A 90 -31.885 14.810 7.844 1.00 0.15 C ATOM 1386 C LEU A 90 -32.992 15.616 7.059 1.00 0.15 C ATOM 1387 O LEU A 90 -32.770 16.780 6.738 1.00 0.19 O ATOM 1388 CB LEU A 90 -31.732 15.318 9.300 1.00 0.18 C ATOM 1389 CG LEU A 90 -30.823 14.419 10.141 1.00 0.19 C ATOM 1390 CD1 LEU A 90 -30.191 15.136 11.363 1.00 0.23 C ATOM 1391 CD2 LEU A 90 -31.700 13.259 10.694 1.00 0.18 C ATOM 0 H LEU A 90 -30.014 15.580 7.228 1.00 0.16 H new ATOM 0 HA LEU A 90 -32.255 13.785 7.868 1.00 0.15 H new ATOM 0 HB2 LEU A 90 -31.327 16.330 9.288 1.00 0.18 H new ATOM 0 HB3 LEU A 90 -32.715 15.374 9.767 1.00 0.18 H new ATOM 0 HG LEU A 90 -30.008 14.089 9.497 1.00 0.19 H new ATOM 0 HD11 LEU A 90 -29.560 14.435 11.910 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -29.587 15.976 11.020 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -30.981 15.501 12.019 1.00 0.23 H new ATOM 0 HD21 LEU A 90 -31.084 12.595 11.301 1.00 0.18 H new ATOM 0 HD22 LEU A 90 -32.503 13.670 11.306 1.00 0.18 H new ATOM 0 HD23 LEU A 90 -32.128 12.698 9.863 1.00 0.18 H new ATOM 1403 N VAL A 91 -34.117 14.981 6.710 1.00 0.15 N ATOM 1404 CA VAL A 91 -35.020 15.481 5.649 1.00 0.16 C ATOM 1405 C VAL A 91 -36.488 15.344 6.078 1.00 0.16 C ATOM 1406 O VAL A 91 -36.861 14.352 6.706 1.00 0.17 O ATOM 1407 CB VAL A 91 -34.727 14.775 4.287 1.00 0.18 C ATOM 1408 CG1 VAL A 91 -33.933 13.466 4.362 1.00 0.23 C ATOM 1409 CG2 VAL A 91 -35.947 14.524 3.388 1.00 0.23 C ATOM 0 H VAL A 91 -34.431 14.114 7.146 1.00 0.15 H new ATOM 0 HA VAL A 91 -34.829 16.544 5.499 1.00 0.16 H new ATOM 0 HB VAL A 91 -34.099 15.541 3.832 1.00 0.18 H new ATOM 0 HG11 VAL A 91 -33.791 13.068 3.357 1.00 0.23 H new ATOM 0 HG12 VAL A 91 -32.961 13.656 4.818 1.00 0.23 H new ATOM 0 HG13 VAL A 91 -34.481 12.742 4.964 1.00 0.23 H new ATOM 0 HG21 VAL A 91 -35.627 14.030 2.471 1.00 0.23 H new ATOM 0 HG22 VAL A 91 -36.661 13.889 3.912 1.00 0.23 H new ATOM 0 HG23 VAL A 91 -36.420 15.475 3.142 1.00 0.23 H new ATOM 1419 N VAL A 92 -37.306 16.352 5.776 1.00 0.16 N ATOM 1420 CA VAL A 92 -38.771 16.207 5.727 1.00 0.17 C ATOM 1421 C VAL A 92 -39.203 16.465 4.304 1.00 0.17 C ATOM 1422 O VAL A 92 -38.586 17.242 3.567 1.00 0.18 O ATOM 1423 CB VAL A 92 -39.560 17.195 6.617 1.00 0.18 C ATOM 1424 CG1 VAL A 92 -39.562 16.685 8.053 1.00 0.56 C ATOM 1425 CG2 VAL A 92 -39.153 18.666 6.428 1.00 0.65 C ATOM 0 H VAL A 92 -36.978 17.293 5.558 1.00 0.16 H new ATOM 0 HA VAL A 92 -38.990 15.205 6.095 1.00 0.17 H new ATOM 0 HB VAL A 92 -40.599 17.218 6.289 1.00 0.18 H new ATOM 0 HG11 VAL A 92 -40.117 17.378 8.685 1.00 0.56 H new ATOM 0 HG12 VAL A 92 -40.034 15.703 8.090 1.00 0.56 H new ATOM 0 HG13 VAL A 92 -38.536 16.608 8.413 1.00 0.56 H new ATOM 0 HG21 VAL A 92 -39.751 19.296 7.086 1.00 0.65 H new ATOM 0 HG22 VAL A 92 -38.097 18.786 6.671 1.00 0.65 H new ATOM 0 HG23 VAL A 92 -39.322 18.960 5.392 1.00 0.65 H new ATOM 1435 N ASN A 93 -40.430 16.027 4.069 1.00 0.20 N ATOM 1436 CA ASN A 93 -41.273 16.466 2.965 1.00 0.21 C ATOM 1437 C ASN A 93 -42.656 16.879 3.514 1.00 0.22 C ATOM 1438 O ASN A 93 -43.240 16.178 4.337 1.00 0.34 O ATOM 1439 CB ASN A 93 -41.365 15.341 1.917 1.00 0.30 C ATOM 1440 CG ASN A 93 -40.004 14.854 1.438 1.00 1.07 C ATOM 1441 OD1 ASN A 93 -39.133 15.629 1.071 1.00 1.89 O ATOM 1442 ND2 ASN A 93 -39.790 13.561 1.381 1.00 1.06 N ATOM 0 H ASN A 93 -40.883 15.332 4.662 1.00 0.20 H new ATOM 0 HA ASN A 93 -40.843 17.338 2.471 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -41.915 14.501 2.342 1.00 0.30 H new ATOM 0 HB3 ASN A 93 -41.938 15.697 1.061 1.00 0.30 H new ATOM 0 HD21 ASN A 93 -38.900 13.206 1.032 1.00 1.06 H new ATOM 0 HD22 ASN A 93 -40.514 12.910 1.686 1.00 1.06 H new ATOM 1449 N PHE A 94 -43.163 17.998 3.012 1.00 0.17 N ATOM 1450 CA PHE A 94 -44.479 18.612 3.198 1.00 0.19 C ATOM 1451 C PHE A 94 -45.087 19.067 1.854 1.00 0.22 C ATOM 1452 O PHE A 94 -44.347 19.105 0.871 1.00 0.26 O ATOM 1453 CB PHE A 94 -44.361 19.794 4.180 1.00 0.20 C ATOM 1454 CG PHE A 94 -44.180 19.455 5.645 1.00 0.19 C ATOM 1455 CD1 PHE A 94 -45.305 19.230 6.459 1.00 0.21 C ATOM 1456 CD2 PHE A 94 -42.892 19.447 6.215 1.00 0.17 C ATOM 1457 CE1 PHE A 94 -45.148 19.019 7.840 1.00 0.21 C ATOM 1458 CE2 PHE A 94 -42.734 19.236 7.597 1.00 0.17 C ATOM 1459 CZ PHE A 94 -43.863 19.029 8.410 1.00 0.20 C ATOM 0 H PHE A 94 -42.593 18.569 2.388 1.00 0.17 H new ATOM 0 HA PHE A 94 -45.154 17.866 3.617 1.00 0.19 H new ATOM 0 HB2 PHE A 94 -43.518 20.411 3.868 1.00 0.20 H new ATOM 0 HB3 PHE A 94 -45.257 20.407 4.082 1.00 0.20 H new ATOM 0 HD1 PHE A 94 -46.292 19.219 6.022 1.00 0.21 H new ATOM 0 HD2 PHE A 94 -42.025 19.603 5.591 1.00 0.17 H new ATOM 0 HE1 PHE A 94 -46.014 18.849 8.463 1.00 0.21 H new ATOM 0 HE2 PHE A 94 -41.746 19.233 8.034 1.00 0.17 H new ATOM 0 HZ PHE A 94 -43.743 18.878 9.473 1.00 0.20 H new ATOM 1469 N PRO A 95 -46.345 19.552 1.791 1.00 0.25 N ATOM 1470 CA PRO A 95 -46.925 20.070 0.549 1.00 0.29 C ATOM 1471 C PRO A 95 -46.135 21.202 -0.135 1.00 0.30 C ATOM 1472 O PRO A 95 -46.103 21.237 -1.362 1.00 0.46 O ATOM 1473 CB PRO A 95 -48.346 20.497 0.912 1.00 0.38 C ATOM 1474 CG PRO A 95 -48.711 19.514 2.023 1.00 0.44 C ATOM 1475 CD PRO A 95 -47.396 19.386 2.791 1.00 0.32 C ATOM 0 HA PRO A 95 -46.899 19.288 -0.210 1.00 0.29 H new ATOM 0 HB2 PRO A 95 -48.384 21.531 1.256 1.00 0.38 H new ATOM 0 HB3 PRO A 95 -49.023 20.419 0.062 1.00 0.38 H new ATOM 0 HG2 PRO A 95 -49.515 19.894 2.654 1.00 0.44 H new ATOM 0 HG3 PRO A 95 -49.044 18.556 1.625 1.00 0.44 H new ATOM 0 HD2 PRO A 95 -47.321 20.145 3.570 1.00 0.32 H new ATOM 0 HD3 PRO A 95 -47.321 18.416 3.283 1.00 0.32 H new ATOM 1483 N ASN A 96 -45.457 22.091 0.605 1.00 0.33 N ATOM 1484 CA ASN A 96 -44.656 23.137 0.037 1.00 0.45 C ATOM 1485 C ASN A 96 -43.231 23.014 0.602 1.00 0.50 C ATOM 1486 O ASN A 96 -42.243 23.343 -0.088 1.00 0.90 O ATOM 1487 CB ASN A 96 -45.146 24.603 0.442 1.00 0.63 C ATOM 1488 CG ASN A 96 -45.633 24.694 1.879 1.00 0.86 C ATOM 1489 OD1 ASN A 96 -45.263 23.876 2.677 1.00 1.89 O ATOM 1490 ND2 ASN A 96 -46.550 25.619 2.195 1.00 0.77 N ATOM 0 H ASN A 96 -45.462 22.087 1.625 1.00 0.33 H new ATOM 0 HA ASN A 96 -44.722 23.022 -1.045 1.00 0.45 H new ATOM 0 HB2 ASN A 96 -44.326 25.306 0.298 1.00 0.63 H new ATOM 0 HB3 ASN A 96 -45.950 24.909 -0.228 1.00 0.63 H new ATOM 0 HD21 ASN A 96 -46.951 25.640 3.132 1.00 0.77 H new ATOM 0 HD22 ASN A 96 -46.846 26.302 1.498 1.00 0.77 H new ATOM 1497 N TYR A 97 -43.028 22.493 1.817 1.00 0.26 N ATOM 1498 CA TYR A 97 -41.715 22.534 2.457 1.00 0.23 C ATOM 1499 C TYR A 97 -40.973 21.196 2.177 1.00 0.20 C ATOM 1500 O TYR A 97 -41.412 20.090 2.342 1.00 0.22 O ATOM 1501 CB TYR A 97 -41.806 22.872 3.993 1.00 0.24 C ATOM 1502 CG TYR A 97 -40.494 23.071 4.609 1.00 0.22 C ATOM 1503 CD1 TYR A 97 -39.622 24.090 4.163 1.00 0.19 C ATOM 1504 CD2 TYR A 97 -39.933 22.216 5.652 1.00 0.26 C ATOM 1505 CE1 TYR A 97 -38.319 24.189 4.618 1.00 0.19 C ATOM 1506 CE2 TYR A 97 -38.648 22.338 6.136 1.00 0.27 C ATOM 1507 CZ TYR A 97 -37.821 23.364 5.589 1.00 0.23 C ATOM 1508 OH TYR A 97 -36.571 23.795 6.033 1.00 0.26 O ATOM 0 H TYR A 97 -43.754 22.041 2.372 1.00 0.26 H new ATOM 0 HA TYR A 97 -41.135 23.349 2.025 1.00 0.23 H new ATOM 0 HB2 TYR A 97 -42.406 23.772 4.127 1.00 0.24 H new ATOM 0 HB3 TYR A 97 -42.325 22.064 4.508 1.00 0.24 H new ATOM 0 HD1 TYR A 97 -39.983 24.812 3.446 1.00 0.19 H new ATOM 0 HD2 TYR A 97 -40.562 21.443 6.068 1.00 0.26 H new ATOM 0 HE1 TYR A 97 -37.673 24.943 4.192 1.00 0.19 H new ATOM 0 HE2 TYR A 97 -38.278 21.677 6.906 1.00 0.27 H new ATOM 0 HH TYR A 97 -36.019 23.018 6.260 1.00 0.26 H new ATOM 1518 N HIS A 98 -39.671 21.353 1.942 1.00 0.18 N ATOM 1519 CA HIS A 98 -38.666 20.285 1.927 1.00 0.18 C ATOM 1520 C HIS A 98 -37.363 20.809 2.531 1.00 0.19 C ATOM 1521 O HIS A 98 -36.947 21.913 2.203 1.00 0.18 O ATOM 1522 CB HIS A 98 -38.461 19.779 0.484 1.00 0.21 C ATOM 1523 CG HIS A 98 -37.255 18.877 0.324 1.00 0.25 C ATOM 1524 ND1 HIS A 98 -37.177 17.548 0.699 1.00 0.31 N ATOM 1525 CD2 HIS A 98 -36.012 19.261 -0.107 1.00 0.27 C ATOM 1526 CE1 HIS A 98 -35.908 17.136 0.512 1.00 0.36 C ATOM 1527 NE2 HIS A 98 -35.174 18.165 0.030 1.00 0.34 N ATOM 0 H HIS A 98 -39.267 22.269 1.748 1.00 0.18 H new ATOM 0 HA HIS A 98 -39.006 19.442 2.528 1.00 0.18 H new ATOM 0 HB2 HIS A 98 -39.353 19.239 0.167 1.00 0.21 H new ATOM 0 HB3 HIS A 98 -38.354 20.636 -0.181 1.00 0.21 H new ATOM 0 HD1 HIS A 98 -37.946 16.979 1.055 1.00 0.31 H new ATOM 0 HD2 HIS A 98 -35.737 20.235 -0.483 1.00 0.27 H new ATOM 0 HE1 HIS A 98 -35.536 16.143 0.715 1.00 0.36 H new ATOM 1535 N GLN A 99 -36.565 19.915 3.102 1.00 0.22 N ATOM 1536 CA GLN A 99 -35.093 20.097 3.180 1.00 0.29 C ATOM 1537 C GLN A 99 -34.300 18.780 3.215 1.00 0.20 C ATOM 1538 O GLN A 99 -34.908 17.718 3.329 1.00 0.26 O ATOM 1539 CB GLN A 99 -34.716 20.954 4.395 1.00 0.55 C ATOM 1540 CG GLN A 99 -34.581 20.238 5.750 1.00 0.55 C ATOM 1541 CD GLN A 99 -34.066 21.234 6.775 1.00 0.64 C ATOM 1542 OE1 GLN A 99 -34.707 22.235 7.002 1.00 1.48 O ATOM 1543 NE2 GLN A 99 -33.028 20.951 7.525 1.00 0.42 N ATOM 0 H GLN A 99 -36.900 19.049 3.524 1.00 0.22 H new ATOM 0 HA GLN A 99 -34.815 20.606 2.257 1.00 0.29 H new ATOM 0 HB2 GLN A 99 -33.768 21.447 4.179 1.00 0.55 H new ATOM 0 HB3 GLN A 99 -35.466 21.737 4.501 1.00 0.55 H new ATOM 0 HG2 GLN A 99 -35.545 19.837 6.063 1.00 0.55 H new ATOM 0 HG3 GLN A 99 -33.896 19.394 5.665 1.00 0.55 H new ATOM 0 HE21 GLN A 99 -32.481 20.110 7.342 1.00 0.42 H new ATOM 0 HE22 GLN A 99 -32.768 21.572 8.291 1.00 0.42 H new ATOM 1552 N THR A 100 -32.965 18.876 3.285 1.00 0.22 N ATOM 1553 CA THR A 100 -31.982 17.793 3.544 1.00 0.21 C ATOM 1554 C THR A 100 -30.753 18.485 4.171 1.00 0.24 C ATOM 1555 O THR A 100 -30.310 19.492 3.617 1.00 0.40 O ATOM 1556 CB THR A 100 -31.487 17.179 2.211 1.00 0.22 C ATOM 1557 OG1 THR A 100 -31.574 18.090 1.135 1.00 0.26 O ATOM 1558 CG2 THR A 100 -32.297 15.961 1.778 1.00 0.21 C ATOM 0 H THR A 100 -32.501 19.775 3.154 1.00 0.22 H new ATOM 0 HA THR A 100 -32.432 17.020 4.167 1.00 0.21 H new ATOM 0 HB THR A 100 -30.453 16.904 2.421 1.00 0.22 H new ATOM 0 HG1 THR A 100 -31.250 17.661 0.316 1.00 0.26 H new ATOM 0 HG21 THR A 100 -31.902 15.577 0.838 1.00 0.21 H new ATOM 0 HG22 THR A 100 -32.229 15.188 2.543 1.00 0.21 H new ATOM 0 HG23 THR A 100 -33.340 16.247 1.643 1.00 0.21 H new ATOM 1566 N SER A 101 -30.111 17.914 5.195 1.00 0.21 N ATOM 1567 CA SER A 101 -28.887 18.517 5.764 1.00 0.27 C ATOM 1568 C SER A 101 -27.857 17.518 6.311 1.00 0.27 C ATOM 1569 O SER A 101 -28.221 16.500 6.897 1.00 0.46 O ATOM 1570 CB SER A 101 -29.267 19.592 6.785 1.00 0.42 C ATOM 1571 OG SER A 101 -30.042 19.095 7.861 1.00 1.24 O ATOM 0 H SER A 101 -30.407 17.048 5.646 1.00 0.21 H new ATOM 0 HA SER A 101 -28.358 18.981 4.932 1.00 0.27 H new ATOM 0 HB2 SER A 101 -28.358 20.045 7.180 1.00 0.42 H new ATOM 0 HB3 SER A 101 -29.823 20.382 6.280 1.00 0.42 H new ATOM 0 HG SER A 101 -30.061 19.757 8.584 1.00 1.24 H new ATOM 1577 N GLU A 102 -26.573 17.757 6.011 1.00 0.22 N ATOM 1578 CA GLU A 102 -25.476 16.782 5.985 1.00 0.27 C ATOM 1579 C GLU A 102 -24.100 17.401 6.299 1.00 0.20 C ATOM 1580 O GLU A 102 -23.808 18.566 6.025 1.00 0.20 O ATOM 1581 CB GLU A 102 -25.461 16.015 4.647 1.00 0.43 C ATOM 1582 CG GLU A 102 -25.352 16.883 3.378 1.00 0.81 C ATOM 1583 CD GLU A 102 -25.756 16.114 2.105 1.00 1.25 C ATOM 1584 OE1 GLU A 102 -25.561 14.882 2.022 1.00 1.67 O ATOM 1585 OE2 GLU A 102 -26.557 16.644 1.302 1.00 1.55 O ATOM 0 H GLU A 102 -26.254 18.694 5.765 1.00 0.22 H new ATOM 0 HA GLU A 102 -25.669 16.073 6.790 1.00 0.27 H new ATOM 0 HB2 GLU A 102 -24.624 15.316 4.660 1.00 0.43 H new ATOM 0 HB3 GLU A 102 -26.372 15.420 4.580 1.00 0.43 H new ATOM 0 HG2 GLU A 102 -25.988 17.761 3.486 1.00 0.81 H new ATOM 0 HG3 GLU A 102 -24.328 17.242 3.273 1.00 0.81 H new ATOM 1592 N ILE A 103 -23.251 16.593 6.954 1.00 0.19 N ATOM 1593 CA ILE A 103 -21.832 16.890 7.221 1.00 0.21 C ATOM 1594 C ILE A 103 -21.079 16.904 5.894 1.00 0.26 C ATOM 1595 O ILE A 103 -21.111 15.906 5.178 1.00 0.28 O ATOM 1596 CB ILE A 103 -21.208 15.817 8.156 1.00 0.23 C ATOM 1597 CG1 ILE A 103 -21.761 15.865 9.594 1.00 0.22 C ATOM 1598 CG2 ILE A 103 -19.667 15.836 8.200 1.00 0.27 C ATOM 1599 CD1 ILE A 103 -21.211 16.984 10.491 1.00 0.21 C ATOM 0 H ILE A 103 -23.540 15.688 7.324 1.00 0.19 H new ATOM 0 HA ILE A 103 -21.758 17.859 7.714 1.00 0.21 H new ATOM 0 HB ILE A 103 -21.514 14.878 7.696 1.00 0.23 H new ATOM 0 HG12 ILE A 103 -22.845 15.968 9.542 1.00 0.22 H new ATOM 0 HG13 ILE A 103 -21.555 14.908 10.073 1.00 0.22 H new ATOM 0 HG21 ILE A 103 -19.313 15.057 8.875 1.00 0.27 H new ATOM 0 HG22 ILE A 103 -19.272 15.657 7.200 1.00 0.27 H new ATOM 0 HG23 ILE A 103 -19.325 16.808 8.556 1.00 0.27 H new ATOM 0 HD11 ILE A 103 -21.671 16.919 11.477 1.00 0.21 H new ATOM 0 HD12 ILE A 103 -20.131 16.876 10.587 1.00 0.21 H new ATOM 0 HD13 ILE A 103 -21.441 17.952 10.047 1.00 0.21 H new ATOM 1611 N VAL A 104 -20.143 17.841 5.737 1.00 0.32 N ATOM 1612 CA VAL A 104 -19.089 17.809 4.688 1.00 0.41 C ATOM 1613 C VAL A 104 -17.765 18.060 5.383 1.00 0.48 C ATOM 1614 O VAL A 104 -17.474 19.202 5.759 1.00 0.47 O ATOM 1615 CB VAL A 104 -19.360 18.798 3.554 1.00 0.47 C ATOM 1616 CG1 VAL A 104 -18.134 18.960 2.614 1.00 0.60 C ATOM 1617 CG2 VAL A 104 -20.582 18.267 2.724 1.00 0.45 C ATOM 0 H VAL A 104 -20.084 18.663 6.339 1.00 0.32 H new ATOM 0 HA VAL A 104 -19.074 16.836 4.196 1.00 0.41 H new ATOM 0 HB VAL A 104 -19.569 19.775 3.989 1.00 0.47 H new ATOM 0 HG11 VAL A 104 -18.373 19.672 1.824 1.00 0.60 H new ATOM 0 HG12 VAL A 104 -17.282 19.326 3.187 1.00 0.60 H new ATOM 0 HG13 VAL A 104 -17.885 17.996 2.171 1.00 0.60 H new ATOM 0 HG21 VAL A 104 -20.795 18.957 1.908 1.00 0.45 H new ATOM 0 HG22 VAL A 104 -20.345 17.284 2.316 1.00 0.45 H new ATOM 0 HG23 VAL A 104 -21.456 18.190 3.371 1.00 0.45 H new ATOM 1627 N GLY A 105 -16.986 17.083 5.637 1.00 0.56 N ATOM 1628 CA GLY A 105 -15.712 17.197 6.343 1.00 0.63 C ATOM 1629 C GLY A 105 -15.850 17.665 7.814 1.00 0.59 C ATOM 1630 O GLY A 105 -16.097 16.844 8.706 1.00 0.68 O ATOM 0 H GLY A 105 -17.202 16.126 5.358 1.00 0.56 H new ATOM 0 HA2 GLY A 105 -15.210 16.230 6.325 1.00 0.63 H new ATOM 0 HA3 GLY A 105 -15.072 17.898 5.807 1.00 0.63 H new ATOM 1634 N ASP A 106 -15.521 18.939 8.054 1.00 0.52 N ATOM 1635 CA ASP A 106 -15.683 19.683 9.319 1.00 0.50 C ATOM 1636 C ASP A 106 -16.873 20.653 9.319 1.00 0.40 C ATOM 1637 O ASP A 106 -17.182 21.292 10.329 1.00 0.44 O ATOM 1638 CB ASP A 106 -14.419 20.507 9.602 1.00 0.58 C ATOM 1639 CG ASP A 106 -13.189 19.629 9.710 1.00 1.53 C ATOM 1640 OD1 ASP A 106 -13.152 18.904 10.730 1.00 2.11 O ATOM 1641 OD2 ASP A 106 -12.589 19.425 8.634 1.00 2.30 O ATOM 0 H ASP A 106 -15.107 19.521 7.325 1.00 0.52 H new ATOM 0 HA ASP A 106 -15.863 18.927 10.084 1.00 0.50 H new ATOM 0 HB2 ASP A 106 -14.275 21.238 8.806 1.00 0.58 H new ATOM 0 HB3 ASP A 106 -14.549 21.066 10.529 1.00 0.58 H new ATOM 1646 N LYS A 107 -17.389 20.932 8.124 1.00 0.32 N ATOM 1647 CA LYS A 107 -18.495 21.866 7.893 1.00 0.25 C ATOM 1648 C LYS A 107 -19.814 21.103 7.814 1.00 0.23 C ATOM 1649 O LYS A 107 -19.830 19.880 7.676 1.00 0.30 O ATOM 1650 CB LYS A 107 -18.255 22.735 6.643 1.00 0.28 C ATOM 1651 CG LYS A 107 -17.206 23.847 6.837 1.00 0.47 C ATOM 1652 CD LYS A 107 -15.731 23.423 6.747 1.00 1.21 C ATOM 1653 CE LYS A 107 -15.363 22.902 5.352 1.00 1.65 C ATOM 1654 NZ LYS A 107 -13.916 22.576 5.254 1.00 2.27 N ATOM 0 H LYS A 107 -17.042 20.505 7.265 1.00 0.32 H new ATOM 0 HA LYS A 107 -18.550 22.553 8.738 1.00 0.25 H new ATOM 0 HB2 LYS A 107 -17.938 22.091 5.823 1.00 0.28 H new ATOM 0 HB3 LYS A 107 -19.199 23.190 6.344 1.00 0.28 H new ATOM 0 HG2 LYS A 107 -17.385 24.619 6.089 1.00 0.47 H new ATOM 0 HG3 LYS A 107 -17.370 24.304 7.813 1.00 0.47 H new ATOM 0 HD2 LYS A 107 -15.095 24.272 6.996 1.00 1.21 H new ATOM 0 HD3 LYS A 107 -15.532 22.648 7.487 1.00 1.21 H new ATOM 0 HE2 LYS A 107 -15.953 22.013 5.128 1.00 1.65 H new ATOM 0 HE3 LYS A 107 -15.619 23.652 4.604 1.00 1.65 H new ATOM 0 HZ1 LYS A 107 -13.703 22.227 4.298 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 -13.354 23.430 5.444 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 -13.677 21.842 5.952 1.00 2.27 H new ATOM 1668 N LEU A 108 -20.911 21.823 7.970 1.00 0.20 N ATOM 1669 CA LEU A 108 -22.213 21.218 8.166 1.00 0.19 C ATOM 1670 C LEU A 108 -23.274 22.058 7.463 1.00 0.20 C ATOM 1671 O LEU A 108 -23.439 23.228 7.808 1.00 0.24 O ATOM 1672 CB LEU A 108 -22.375 21.062 9.686 1.00 0.22 C ATOM 1673 CG LEU A 108 -23.684 20.430 10.164 1.00 0.29 C ATOM 1674 CD1 LEU A 108 -24.143 19.275 9.280 1.00 0.57 C ATOM 1675 CD2 LEU A 108 -23.448 19.905 11.582 1.00 0.60 C ATOM 0 H LEU A 108 -20.922 22.843 7.964 1.00 0.20 H new ATOM 0 HA LEU A 108 -22.324 20.230 7.718 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -21.547 20.459 10.059 1.00 0.22 H new ATOM 0 HB3 LEU A 108 -22.283 22.047 10.143 1.00 0.22 H new ATOM 0 HG LEU A 108 -24.466 21.188 10.126 1.00 0.29 H new ATOM 0 HD11 LEU A 108 -25.076 18.867 9.669 1.00 0.57 H new ATOM 0 HD12 LEU A 108 -24.300 19.635 8.263 1.00 0.57 H new ATOM 0 HD13 LEU A 108 -23.381 18.496 9.275 1.00 0.57 H new ATOM 0 HD21 LEU A 108 -24.363 19.446 11.957 1.00 0.60 H new ATOM 0 HD22 LEU A 108 -22.649 19.163 11.567 1.00 0.60 H new ATOM 0 HD23 LEU A 108 -23.163 20.731 12.233 1.00 0.60 H new ATOM 1687 N VAL A 109 -23.728 21.557 6.312 1.00 0.20 N ATOM 1688 CA VAL A 109 -24.532 22.171 5.354 1.00 0.22 C ATOM 1689 C VAL A 109 -26.029 21.766 5.343 1.00 0.22 C ATOM 1690 O VAL A 109 -26.424 20.597 5.485 1.00 0.29 O ATOM 1691 CB VAL A 109 -23.909 22.046 3.866 1.00 0.26 C ATOM 1692 CG1 VAL A 109 -23.502 20.603 3.549 1.00 0.80 C ATOM 1693 CG2 VAL A 109 -24.844 22.647 2.826 1.00 0.87 C ATOM 0 H VAL A 109 -23.492 20.604 6.036 1.00 0.20 H new ATOM 0 HA VAL A 109 -24.528 23.213 5.674 1.00 0.22 H new ATOM 0 HB VAL A 109 -22.991 22.633 3.829 1.00 0.26 H new ATOM 0 HG11 VAL A 109 -23.087 20.555 2.542 1.00 0.80 H new ATOM 0 HG12 VAL A 109 -22.752 20.271 4.267 1.00 0.80 H new ATOM 0 HG13 VAL A 109 -24.377 19.956 3.613 1.00 0.80 H new ATOM 0 HG21 VAL A 109 -24.399 22.548 1.836 1.00 0.87 H new ATOM 0 HG22 VAL A 109 -25.799 22.122 2.848 1.00 0.87 H new ATOM 0 HG23 VAL A 109 -25.005 23.702 3.048 1.00 0.87 H new ATOM 1703 N GLU A 110 -26.924 22.739 5.186 1.00 0.22 N ATOM 1704 CA GLU A 110 -28.337 22.523 4.860 1.00 0.25 C ATOM 1705 C GLU A 110 -28.674 23.132 3.498 1.00 0.28 C ATOM 1706 O GLU A 110 -28.278 24.259 3.209 1.00 0.52 O ATOM 1707 CB GLU A 110 -29.226 23.098 5.973 1.00 0.38 C ATOM 1708 CG GLU A 110 -30.726 23.028 5.671 1.00 0.52 C ATOM 1709 CD GLU A 110 -31.572 23.629 6.794 1.00 1.43 C ATOM 1710 OE1 GLU A 110 -31.355 23.290 7.982 1.00 2.07 O ATOM 1711 OE2 GLU A 110 -32.170 24.696 6.547 1.00 2.06 O ATOM 0 H GLU A 110 -26.683 23.725 5.284 1.00 0.22 H new ATOM 0 HA GLU A 110 -28.529 21.452 4.794 1.00 0.25 H new ATOM 0 HB2 GLU A 110 -29.027 22.558 6.899 1.00 0.38 H new ATOM 0 HB3 GLU A 110 -28.949 24.138 6.145 1.00 0.38 H new ATOM 0 HG2 GLU A 110 -30.932 23.557 4.741 1.00 0.52 H new ATOM 0 HG3 GLU A 110 -31.015 21.988 5.517 1.00 0.52 H new ATOM 1718 N VAL A 111 -29.562 22.465 2.766 1.00 0.23 N ATOM 1719 CA VAL A 111 -30.311 23.010 1.633 1.00 0.21 C ATOM 1720 C VAL A 111 -31.792 22.670 1.763 1.00 0.20 C ATOM 1721 O VAL A 111 -32.160 21.527 2.065 1.00 0.24 O ATOM 1722 CB VAL A 111 -29.669 22.637 0.283 1.00 0.24 C ATOM 1723 CG1 VAL A 111 -29.881 21.170 -0.108 1.00 0.27 C ATOM 1724 CG2 VAL A 111 -30.207 23.527 -0.841 1.00 0.25 C ATOM 0 H VAL A 111 -29.790 21.489 2.952 1.00 0.23 H new ATOM 0 HA VAL A 111 -30.256 24.098 1.655 1.00 0.21 H new ATOM 0 HB VAL A 111 -28.599 22.795 0.416 1.00 0.24 H new ATOM 0 HG11 VAL A 111 -29.403 20.977 -1.068 1.00 0.27 H new ATOM 0 HG12 VAL A 111 -29.442 20.524 0.652 1.00 0.27 H new ATOM 0 HG13 VAL A 111 -30.949 20.965 -0.186 1.00 0.27 H new ATOM 0 HG21 VAL A 111 -29.739 23.245 -1.784 1.00 0.25 H new ATOM 0 HG22 VAL A 111 -31.287 23.401 -0.920 1.00 0.25 H new ATOM 0 HG23 VAL A 111 -29.979 24.570 -0.620 1.00 0.25 H new ATOM 1734 N SER A 112 -32.648 23.675 1.609 1.00 0.19 N ATOM 1735 CA SER A 112 -34.047 23.608 2.020 1.00 0.20 C ATOM 1736 C SER A 112 -34.781 24.278 0.835 1.00 0.17 C ATOM 1737 O SER A 112 -34.213 25.129 0.179 1.00 0.17 O ATOM 1738 CB SER A 112 -34.288 24.377 3.397 1.00 0.27 C ATOM 1739 OG SER A 112 -33.460 23.860 4.392 1.00 0.87 O ATOM 0 H SER A 112 -32.388 24.568 1.191 1.00 0.19 H new ATOM 0 HA SER A 112 -34.398 22.595 2.215 1.00 0.20 H new ATOM 0 HB2 SER A 112 -34.090 25.441 3.266 1.00 0.27 H new ATOM 0 HB3 SER A 112 -35.332 24.281 3.697 1.00 0.27 H new ATOM 0 HG SER A 112 -33.209 24.575 5.013 1.00 0.87 H new ATOM 1745 N THR A 113 -36.078 24.062 0.691 1.00 0.17 N ATOM 1746 CA THR A 113 -36.966 24.630 -0.380 1.00 0.15 C ATOM 1747 C THR A 113 -38.370 24.763 0.214 1.00 0.13 C ATOM 1748 O THR A 113 -38.837 23.914 0.988 1.00 0.14 O ATOM 1749 CB THR A 113 -36.999 23.729 -1.553 1.00 0.19 C ATOM 1750 OG1 THR A 113 -35.718 23.586 -2.096 1.00 0.26 O ATOM 1751 CG2 THR A 113 -37.926 24.217 -2.686 1.00 0.17 C ATOM 0 H THR A 113 -36.591 23.460 1.335 1.00 0.17 H new ATOM 0 HA THR A 113 -36.591 25.598 -0.711 1.00 0.15 H new ATOM 0 HB THR A 113 -37.387 22.783 -1.174 1.00 0.19 H new ATOM 0 HG1 THR A 113 -35.756 22.986 -2.870 1.00 0.26 H new ATOM 0 HG21 THR A 113 -37.898 23.505 -3.511 1.00 0.17 H new ATOM 0 HG22 THR A 113 -38.946 24.298 -2.312 1.00 0.17 H new ATOM 0 HG23 THR A 113 -37.589 25.193 -3.037 1.00 0.17 H new ATOM 1759 N ILE A 114 -39.084 25.892 -0.046 1.00 0.12 N ATOM 1760 CA ILE A 114 -40.436 26.067 0.320 1.00 0.12 C ATOM 1761 C ILE A 114 -41.159 26.427 -0.946 1.00 0.14 C ATOM 1762 O ILE A 114 -40.870 27.375 -1.650 1.00 0.15 O ATOM 1763 CB ILE A 114 -40.789 27.253 1.231 1.00 0.14 C ATOM 1764 CG1 ILE A 114 -40.045 27.264 2.558 1.00 0.17 C ATOM 1765 CG2 ILE A 114 -42.286 27.523 1.384 1.00 0.16 C ATOM 1766 CD1 ILE A 114 -39.758 28.637 3.129 1.00 0.27 C ATOM 0 H ILE A 114 -38.687 26.698 -0.528 1.00 0.12 H new ATOM 0 HA ILE A 114 -40.691 25.148 0.848 1.00 0.12 H new ATOM 0 HB ILE A 114 -40.409 28.111 0.677 1.00 0.14 H new ATOM 0 HG12 ILE A 114 -40.628 26.700 3.287 1.00 0.17 H new ATOM 0 HG13 ILE A 114 -39.099 26.737 2.430 1.00 0.17 H new ATOM 0 HG21 ILE A 114 -42.436 28.377 2.044 1.00 0.16 H new ATOM 0 HG22 ILE A 114 -42.718 27.739 0.407 1.00 0.16 H new ATOM 0 HG23 ILE A 114 -42.772 26.645 1.810 1.00 0.16 H new ATOM 0 HD11 ILE A 114 -39.225 28.534 4.074 1.00 0.27 H new ATOM 0 HD12 ILE A 114 -39.145 29.202 2.427 1.00 0.27 H new ATOM 0 HD13 ILE A 114 -40.697 29.165 3.297 1.00 0.27 H new ATOM 1778 N GLY A 115 -42.067 25.545 -1.438 1.00 0.16 N ATOM 1779 CA GLY A 115 -42.793 25.855 -2.651 1.00 0.19 C ATOM 1780 C GLY A 115 -42.078 26.175 -3.941 1.00 0.21 C ATOM 1781 O GLY A 115 -42.431 27.007 -4.777 1.00 0.29 O ATOM 0 H GLY A 115 -42.294 24.646 -1.014 1.00 0.16 H new ATOM 0 HA2 GLY A 115 -43.447 25.007 -2.854 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -43.436 26.706 -2.426 1.00 0.19 H new ATOM 1785 N GLY A 116 -40.921 25.630 -4.109 1.00 0.17 N ATOM 1786 CA GLY A 116 -40.039 25.779 -5.284 1.00 0.19 C ATOM 1787 C GLY A 116 -38.980 26.793 -5.098 1.00 0.18 C ATOM 1788 O GLY A 116 -38.122 26.798 -5.960 1.00 0.21 O ATOM 0 H GLY A 116 -40.512 25.023 -3.399 1.00 0.17 H new ATOM 0 HA2 GLY A 116 -39.576 24.817 -5.506 1.00 0.19 H new ATOM 0 HA3 GLY A 116 -40.643 26.050 -6.150 1.00 0.19 H new ATOM 1792 N VAL A 117 -38.905 27.565 -3.992 1.00 0.15 N ATOM 1793 CA VAL A 117 -37.725 28.432 -3.792 1.00 0.15 C ATOM 1794 C VAL A 117 -36.791 27.952 -2.694 1.00 0.14 C ATOM 1795 O VAL A 117 -37.261 27.443 -1.674 1.00 0.17 O ATOM 1796 CB VAL A 117 -38.085 29.897 -3.472 1.00 0.14 C ATOM 1797 CG1 VAL A 117 -38.347 30.223 -2.009 1.00 0.14 C ATOM 1798 CG2 VAL A 117 -36.951 30.784 -4.094 1.00 0.16 C ATOM 0 H VAL A 117 -39.611 27.607 -3.257 1.00 0.15 H new ATOM 0 HA VAL A 117 -37.219 28.375 -4.756 1.00 0.15 H new ATOM 0 HB VAL A 117 -39.058 30.108 -3.915 1.00 0.14 H new ATOM 0 HG11 VAL A 117 -38.590 31.281 -1.910 1.00 0.14 H new ATOM 0 HG12 VAL A 117 -39.182 29.624 -1.647 1.00 0.14 H new ATOM 0 HG13 VAL A 117 -37.457 29.998 -1.421 1.00 0.14 H new ATOM 0 HG21 VAL A 117 -37.160 31.835 -3.894 1.00 0.16 H new ATOM 0 HG22 VAL A 117 -35.993 30.514 -3.650 1.00 0.16 H new ATOM 0 HG23 VAL A 117 -36.911 30.621 -5.171 1.00 0.16 H new ATOM 1808 N THR A 118 -35.442 28.099 -2.853 1.00 0.13 N ATOM 1809 CA THR A 118 -34.404 27.409 -2.083 1.00 0.14 C ATOM 1810 C THR A 118 -33.650 28.347 -1.239 1.00 0.18 C ATOM 1811 O THR A 118 -33.354 29.520 -1.586 1.00 0.26 O ATOM 1812 CB THR A 118 -33.455 26.704 -3.093 1.00 0.20 C ATOM 1813 OG1 THR A 118 -34.088 25.774 -3.961 1.00 0.26 O ATOM 1814 CG2 THR A 118 -32.486 25.862 -2.347 1.00 0.27 C ATOM 0 H THR A 118 -35.051 28.730 -3.553 1.00 0.13 H new ATOM 0 HA THR A 118 -34.865 26.681 -1.416 1.00 0.14 H new ATOM 0 HB THR A 118 -33.025 27.523 -3.670 1.00 0.20 H new ATOM 0 HG1 THR A 118 -34.552 25.094 -3.429 1.00 0.26 H new ATOM 0 HG21 THR A 118 -31.818 25.365 -3.051 1.00 0.27 H new ATOM 0 HG22 THR A 118 -31.902 26.489 -1.673 1.00 0.27 H new ATOM 0 HG23 THR A 118 -33.026 25.112 -1.768 1.00 0.27 H new ATOM 1822 N TYR A 119 -33.278 27.880 -0.041 1.00 0.18 N ATOM 1823 CA TYR A 119 -32.270 28.467 0.856 1.00 0.24 C ATOM 1824 C TYR A 119 -31.161 27.450 1.188 1.00 0.23 C ATOM 1825 O TYR A 119 -31.440 26.258 1.282 1.00 0.29 O ATOM 1826 CB TYR A 119 -32.940 29.192 2.047 1.00 0.43 C ATOM 1827 CG TYR A 119 -32.102 29.700 3.222 1.00 0.31 C ATOM 1828 CD1 TYR A 119 -30.782 30.151 3.044 1.00 0.27 C ATOM 1829 CD2 TYR A 119 -32.705 29.864 4.488 1.00 0.44 C ATOM 1830 CE1 TYR A 119 -30.059 30.734 4.093 1.00 0.33 C ATOM 1831 CE2 TYR A 119 -32.001 30.491 5.537 1.00 0.51 C ATOM 1832 CZ TYR A 119 -30.667 30.911 5.345 1.00 0.44 C ATOM 1833 OH TYR A 119 -29.961 31.519 6.324 1.00 0.60 O ATOM 0 H TYR A 119 -33.694 27.036 0.352 1.00 0.18 H new ATOM 0 HA TYR A 119 -31.731 29.266 0.347 1.00 0.24 H new ATOM 0 HB2 TYR A 119 -33.476 30.050 1.640 1.00 0.43 H new ATOM 0 HB3 TYR A 119 -33.688 28.513 2.456 1.00 0.43 H new ATOM 0 HD1 TYR A 119 -30.315 30.046 2.076 1.00 0.27 H new ATOM 0 HD2 TYR A 119 -33.711 29.507 4.654 1.00 0.44 H new ATOM 0 HE1 TYR A 119 -29.037 31.046 3.938 1.00 0.33 H new ATOM 0 HE2 TYR A 119 -32.484 30.650 6.490 1.00 0.51 H new ATOM 0 HH TYR A 119 -30.041 31.003 7.153 1.00 0.60 H new ATOM 1843 N GLU A 120 -29.890 27.851 1.127 1.00 0.33 N ATOM 1844 CA GLU A 120 -28.682 26.981 1.351 1.00 0.38 C ATOM 1845 C GLU A 120 -27.829 27.666 2.353 1.00 0.55 C ATOM 1846 O GLU A 120 -27.604 28.902 2.320 1.00 0.78 O ATOM 1847 CB GLU A 120 -27.875 26.838 -0.005 1.00 0.46 C ATOM 1848 CG GLU A 120 -26.850 25.744 0.178 1.00 0.57 C ATOM 1849 CD GLU A 120 -26.044 25.532 -1.141 1.00 0.68 C ATOM 1850 OE1 GLU A 120 -26.517 24.717 -1.994 1.00 0.73 O ATOM 1851 OE2 GLU A 120 -25.046 26.222 -1.359 1.00 0.88 O ATOM 0 H GLU A 120 -29.640 28.817 0.915 1.00 0.33 H new ATOM 0 HA GLU A 120 -28.976 25.989 1.695 1.00 0.38 H new ATOM 0 HB2 GLU A 120 -28.549 26.596 -0.826 1.00 0.46 H new ATOM 0 HB3 GLU A 120 -27.387 27.779 -0.260 1.00 0.46 H new ATOM 0 HG2 GLU A 120 -26.171 26.005 0.990 1.00 0.57 H new ATOM 0 HG3 GLU A 120 -27.345 24.816 0.463 1.00 0.57 H new ATOM 1858 N ARG A 121 -27.450 26.950 3.410 1.00 0.54 N ATOM 1859 CA ARG A 121 -26.806 27.554 4.578 1.00 0.74 C ATOM 1860 C ARG A 121 -25.810 26.612 5.228 1.00 0.44 C ATOM 1861 O ARG A 121 -26.065 25.431 5.448 1.00 0.31 O ATOM 1862 CB ARG A 121 -27.848 28.134 5.551 1.00 1.17 C ATOM 1863 CG ARG A 121 -28.958 27.160 5.965 1.00 2.28 C ATOM 1864 CD ARG A 121 -29.994 27.855 6.855 1.00 3.33 C ATOM 1865 NE ARG A 121 -30.887 26.868 7.475 1.00 4.09 N ATOM 1866 CZ ARG A 121 -31.512 26.925 8.626 1.00 5.25 C ATOM 1867 NH1 ARG A 121 -31.643 28.033 9.290 1.00 5.79 N ATOM 1868 NH2 ARG A 121 -32.022 25.844 9.134 1.00 6.09 N ATOM 0 H ARG A 121 -27.579 25.941 3.482 1.00 0.54 H new ATOM 0 HA ARG A 121 -26.211 28.402 4.238 1.00 0.74 H new ATOM 0 HB2 ARG A 121 -27.334 28.478 6.448 1.00 1.17 H new ATOM 0 HB3 ARG A 121 -28.306 29.009 5.090 1.00 1.17 H new ATOM 0 HG2 ARG A 121 -29.446 26.760 5.076 1.00 2.28 H new ATOM 0 HG3 ARG A 121 -28.524 26.314 6.498 1.00 2.28 H new ATOM 0 HD2 ARG A 121 -29.488 28.432 7.629 1.00 3.33 H new ATOM 0 HD3 ARG A 121 -30.577 28.559 6.262 1.00 3.33 H new ATOM 0 HE ARG A 121 -31.043 26.018 6.934 1.00 4.09 H new ATOM 0 HH11 ARG A 121 -31.253 28.899 8.919 1.00 5.79 H new ATOM 0 HH12 ARG A 121 -32.136 28.037 10.183 1.00 5.79 H new ATOM 0 HH21 ARG A 121 -31.935 24.957 8.638 1.00 6.09 H new ATOM 0 HH22 ARG A 121 -32.509 25.882 10.029 1.00 6.09 H new ATOM 1882 N VAL A 122 -24.608 27.128 5.415 1.00 0.52 N ATOM 1883 CA VAL A 122 -23.356 26.392 5.734 1.00 0.38 C ATOM 1884 C VAL A 122 -22.865 26.847 7.193 1.00 0.34 C ATOM 1885 O VAL A 122 -22.847 28.020 7.562 1.00 0.42 O ATOM 1886 CB VAL A 122 -22.234 26.748 4.782 1.00 0.44 C ATOM 1887 CG1 VAL A 122 -20.959 26.065 5.134 1.00 0.86 C ATOM 1888 CG2 VAL A 122 -22.631 26.316 3.302 1.00 0.89 C ATOM 0 H VAL A 122 -24.450 28.133 5.348 1.00 0.52 H new ATOM 0 HA VAL A 122 -23.572 25.326 5.665 1.00 0.38 H new ATOM 0 HB VAL A 122 -22.084 27.825 4.854 1.00 0.44 H new ATOM 0 HG11 VAL A 122 -20.184 26.352 4.423 1.00 0.86 H new ATOM 0 HG12 VAL A 122 -20.655 26.357 6.139 1.00 0.86 H new ATOM 0 HG13 VAL A 122 -21.103 24.985 5.098 1.00 0.86 H new ATOM 0 HG21 VAL A 122 -21.822 26.573 2.618 1.00 0.89 H new ATOM 0 HG22 VAL A 122 -22.804 25.240 3.271 1.00 0.89 H new ATOM 0 HG23 VAL A 122 -23.539 26.838 3.002 1.00 0.89 H new ATOM 1898 N SER A 123 -22.377 25.908 8.016 1.00 0.27 N ATOM 1899 CA SER A 123 -21.935 26.195 9.381 1.00 0.28 C ATOM 1900 C SER A 123 -20.632 25.511 9.782 1.00 0.27 C ATOM 1901 O SER A 123 -20.345 24.445 9.223 1.00 0.36 O ATOM 1902 CB SER A 123 -23.086 25.758 10.295 1.00 0.31 C ATOM 1903 OG SER A 123 -22.759 26.006 11.671 1.00 1.13 O ATOM 0 H SER A 123 -22.279 24.928 7.750 1.00 0.27 H new ATOM 0 HA SER A 123 -21.708 27.258 9.465 1.00 0.28 H new ATOM 0 HB2 SER A 123 -23.995 26.298 10.028 1.00 0.31 H new ATOM 0 HB3 SER A 123 -23.291 24.697 10.149 1.00 0.31 H new ATOM 0 HG SER A 123 -23.505 25.723 12.241 1.00 1.13 H new ATOM 1909 N LYS A 124 -19.786 26.064 10.641 1.00 0.26 N ATOM 1910 CA LYS A 124 -18.422 25.525 10.980 1.00 0.28 C ATOM 1911 C LYS A 124 -18.357 24.971 12.420 1.00 0.25 C ATOM 1912 O LYS A 124 -18.788 25.703 13.343 1.00 0.28 O ATOM 1913 CB LYS A 124 -17.265 26.512 10.751 1.00 0.36 C ATOM 1914 CG LYS A 124 -17.806 27.932 11.024 1.00 0.44 C ATOM 1915 CD LYS A 124 -16.633 28.995 11.009 1.00 0.83 C ATOM 1916 CE LYS A 124 -17.167 30.366 10.857 1.00 1.29 C ATOM 1917 NZ LYS A 124 -16.175 31.376 10.732 1.00 1.76 N ATOM 0 H LYS A 124 -20.009 26.921 11.148 1.00 0.26 H new ATOM 0 HA LYS A 124 -18.280 24.710 10.270 1.00 0.28 H new ATOM 0 HB2 LYS A 124 -16.431 26.285 11.415 1.00 0.36 H new ATOM 0 HB3 LYS A 124 -16.891 26.434 9.730 1.00 0.36 H new ATOM 0 HG2 LYS A 124 -18.549 28.194 10.271 1.00 0.44 H new ATOM 0 HG3 LYS A 124 -18.310 27.954 11.990 1.00 0.44 H new ATOM 0 HD2 LYS A 124 -16.060 28.924 11.934 1.00 0.83 H new ATOM 0 HD3 LYS A 124 -15.947 28.775 10.191 1.00 0.83 H new ATOM 0 HE2 LYS A 124 -17.810 30.396 9.978 1.00 1.29 H new ATOM 0 HE3 LYS A 124 -17.794 30.595 11.719 1.00 1.29 H new ATOM 0 HZ1 LYS A 124 -16.623 32.270 10.446 1.00 1.76 H new ATOM 0 HZ2 LYS A 124 -15.695 31.507 11.646 1.00 1.76 H new ATOM 0 HZ3 LYS A 124 -15.479 31.092 10.013 1.00 1.76 H new ATOM 1931 N ARG A 125 -17.787 23.773 12.632 1.00 0.23 N ATOM 1932 CA ARG A 125 -17.594 23.188 13.977 1.00 0.21 C ATOM 1933 C ARG A 125 -16.392 23.794 14.702 1.00 0.23 C ATOM 1934 O ARG A 125 -15.347 23.987 14.092 1.00 0.26 O ATOM 1935 CB ARG A 125 -17.515 21.647 13.917 1.00 0.26 C ATOM 1936 CG ARG A 125 -16.203 20.965 13.464 1.00 0.40 C ATOM 1937 CD ARG A 125 -16.453 19.441 13.409 1.00 0.65 C ATOM 1938 NE ARG A 125 -15.416 18.634 12.714 1.00 1.02 N ATOM 1939 CZ ARG A 125 -15.601 17.413 12.222 1.00 1.53 C ATOM 1940 NH1 ARG A 125 -16.701 16.741 12.415 1.00 2.06 N ATOM 1941 NH2 ARG A 125 -14.731 16.849 11.445 1.00 2.00 N ATOM 0 H ARG A 125 -17.445 23.179 11.877 1.00 0.23 H new ATOM 0 HA ARG A 125 -18.474 23.445 14.567 1.00 0.21 H new ATOM 0 HB2 ARG A 125 -17.752 21.270 14.912 1.00 0.26 H new ATOM 0 HB3 ARG A 125 -18.307 21.306 13.250 1.00 0.26 H new ATOM 0 HG2 ARG A 125 -15.898 21.337 12.486 1.00 0.40 H new ATOM 0 HG3 ARG A 125 -15.395 21.194 14.158 1.00 0.40 H new ATOM 0 HD2 ARG A 125 -16.548 19.072 14.430 1.00 0.65 H new ATOM 0 HD3 ARG A 125 -17.410 19.268 12.917 1.00 0.65 H new ATOM 0 HE ARG A 125 -14.491 19.049 12.606 1.00 1.02 H new ATOM 0 HH11 ARG A 125 -17.459 17.150 12.961 1.00 2.06 H new ATOM 0 HH12 ARG A 125 -16.803 15.806 12.020 1.00 2.06 H new ATOM 0 HH21 ARG A 125 -13.875 17.343 11.195 1.00 2.00 H new ATOM 0 HH22 ARG A 125 -14.902 15.911 11.084 1.00 2.00 H new ATOM 1955 N LEU A 126 -16.499 23.932 16.025 1.00 0.25 N ATOM 1956 CA LEU A 126 -15.400 24.391 16.900 1.00 0.28 C ATOM 1957 C LEU A 126 -15.432 23.839 18.340 1.00 0.31 C ATOM 1958 O LEU A 126 -14.654 24.267 19.189 1.00 0.41 O ATOM 1959 CB LEU A 126 -15.250 25.930 16.834 1.00 0.30 C ATOM 1960 CG LEU A 126 -16.394 26.865 17.291 1.00 0.29 C ATOM 1961 CD1 LEU A 126 -17.526 26.988 16.271 1.00 0.28 C ATOM 1962 CD2 LEU A 126 -17.011 26.516 18.650 1.00 0.30 C ATOM 0 H LEU A 126 -17.360 23.727 16.533 1.00 0.25 H new ATOM 0 HA LEU A 126 -14.491 23.947 16.493 1.00 0.28 H new ATOM 0 HB2 LEU A 126 -14.371 26.190 17.424 1.00 0.30 H new ATOM 0 HB3 LEU A 126 -15.025 26.184 15.798 1.00 0.30 H new ATOM 0 HG LEU A 126 -15.881 27.822 17.388 1.00 0.29 H new ATOM 0 HD11 LEU A 126 -18.293 27.659 16.658 1.00 0.28 H new ATOM 0 HD12 LEU A 126 -17.132 27.388 15.337 1.00 0.28 H new ATOM 0 HD13 LEU A 126 -17.961 26.005 16.090 1.00 0.28 H new ATOM 0 HD21 LEU A 126 -17.803 27.227 18.883 1.00 0.30 H new ATOM 0 HD22 LEU A 126 -17.427 25.509 18.613 1.00 0.30 H new ATOM 0 HD23 LEU A 126 -16.242 26.563 19.421 1.00 0.30 H new ATOM 1974 N ALA A 127 -16.293 22.861 18.646 1.00 0.40 N ATOM 1975 CA ALA A 127 -16.217 22.129 19.914 1.00 0.44 C ATOM 1976 C ALA A 127 -15.064 21.114 19.892 1.00 0.71 C ATOM 1977 O ALA A 127 -15.101 20.167 19.103 1.00 1.34 O ATOM 1978 CB ALA A 127 -17.573 21.470 20.198 1.00 0.44 C ATOM 1979 OXT ALA A 127 -14.104 21.235 20.652 1.00 30.00 O ATOM 0 H ALA A 127 -17.050 22.559 18.032 1.00 0.40 H new ATOM 0 HA ALA A 127 -16.000 22.821 20.727 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -17.522 20.924 21.140 1.00 0.44 H new ATOM 0 HB2 ALA A 127 -18.344 22.238 20.265 1.00 0.44 H new ATOM 0 HB3 ALA A 127 -17.818 20.779 19.391 1.00 0.44 H new TER 1985 ALA A 127 HETATM 1986 C GCH A 201 -28.271 17.935 12.778 1.00 0.06 C HETATM 1987 O GCH A 201 -29.584 17.453 13.117 1.00 -0.39 O HETATM 1988 C1 GCH A 201 -28.330 18.647 11.453 1.00 -0.02 C HETATM 1989 C2 GCH A 201 -27.346 19.841 11.336 1.00 -0.03 C HETATM 1990 C3 GCH A 201 -27.544 20.918 12.479 1.00 -0.03 C HETATM 1991 C4 GCH A 201 -28.177 20.298 13.747 1.00 -0.04 C HETATM 1992 C5 GCH A 201 -27.851 18.832 13.939 1.00 -0.03 C HETATM 1993 C6 GCH A 201 -26.149 21.328 12.945 1.00 -0.06 C HETATM 1994 C7 GCH A 201 -27.435 20.395 9.846 1.00 -0.02 C HETATM 1995 C8 GCH A 201 -28.107 21.725 9.533 1.00 0.06 C HETATM 1996 O1 GCH A 201 -29.509 21.617 9.362 1.00 -0.39 O HETATM 1997 C9 GCH A 201 -27.760 22.671 10.661 1.00 -0.01 C HETATM 1998 C10 GCH A 201 -28.307 22.165 11.945 1.00 -0.03 C HETATM 1999 C11 GCH A 201 -28.547 23.246 13.023 1.00 -0.02 C HETATM 2000 C12 GCH A 201 -28.764 24.719 12.627 1.00 0.06 C HETATM 2001 C13 GCH A 201 -27.824 25.133 11.441 1.00 0.00 C HETATM 2002 C14 GCH A 201 -28.195 24.125 10.257 1.00 -0.03 C HETATM 2003 C15 GCH A 201 -27.549 24.791 8.988 1.00 -0.05 C HETATM 2004 C16 GCH A 201 -27.528 26.281 9.385 1.00 -0.05 C HETATM 2005 C17 GCH A 201 -28.164 26.417 10.786 1.00 -0.03 C HETATM 2006 C18 GCH A 201 -27.913 27.827 11.547 1.00 -0.04 C HETATM 2007 C19 GCH A 201 -27.436 27.713 13.043 1.00 -0.06 C HETATM 2008 C20 GCH A 201 -29.059 28.879 11.337 1.00 -0.04 C HETATM 2009 C21 GCH A 201 -30.212 28.759 12.311 1.00 0.07 C HETATM 2010 C22 GCH A 201 -31.297 29.801 12.184 1.00 0.38 C HETATM 2011 N GCH A 201 -31.162 30.506 11.091 1.00 -0.21 N HETATM 2012 CA GCH A 201 -31.959 31.538 10.518 1.00 0.19 C HETATM 2013 O2 GCH A 201 -32.204 29.903 12.984 1.00 -0.22 O HETATM 2014 C23 GCH A 201 -26.264 24.972 11.788 1.00 -0.06 C HETATM 2015 O3 GCH A 201 -30.152 24.878 12.337 1.00 -0.39 O HETATM 2016 C24 GCH A 201 -31.366 31.717 9.131 1.00 0.12 C HETATM 2017 O4 GCH A 201 -31.342 32.831 8.644 1.00 -0.80 O HETATM 2018 O5 GCH A 201 -31.018 30.634 8.591 1.00 -0.31 O HETATM 0 H9 GCH A 201 -26.320 19.515 11.510 1.00 -0.03 H new HETATM 0 H8 GCH A 201 -25.621 20.454 13.325 1.00 -0.06 H new HETATM 0 H7 GCH A 201 -25.595 21.751 12.107 1.00 -0.06 H new HETATM 0 H6 GCH A 201 -26.234 22.073 13.736 1.00 -0.06 H new HETATM 0 H5 GCH A 201 -27.836 20.854 14.621 1.00 -0.04 H new HETATM 0 H42 GCH A 201 -29.420 22.937 13.598 1.00 -0.02 H new HETATM 0 H41 GCH A 201 -27.693 23.219 13.700 1.00 -0.02 H new HETATM 0 H40 GCH A 201 -28.494 25.392 13.441 1.00 0.06 H new HETATM 0 H4 GCH A 201 -29.259 20.416 13.696 1.00 -0.04 H new HETATM 0 H39 GCH A 201 -30.586 25.362 13.070 1.00 -0.39 H new HETATM 0 H38 GCH A 201 -26.014 25.602 12.642 1.00 -0.06 H new HETATM 0 H37 GCH A 201 -26.051 23.931 12.030 1.00 -0.06 H new HETATM 0 H36 GCH A 201 -25.667 25.274 10.928 1.00 -0.06 H new HETATM 0 H35 GCH A 201 -29.252 23.977 10.038 1.00 -0.03 H new HETATM 0 H34 GCH A 201 -26.548 24.407 8.790 1.00 -0.05 H new HETATM 0 H33 GCH A 201 -28.141 24.616 8.089 1.00 -0.05 H new HETATM 0 H32 GCH A 201 -26.505 26.657 9.394 1.00 -0.05 H new HETATM 0 H31 GCH A 201 -28.080 26.876 8.658 1.00 -0.05 H new HETATM 0 H30 GCH A 201 -29.248 26.534 10.780 1.00 -0.03 H new HETATM 0 H3 GCH A 201 -28.338 18.480 14.848 1.00 -0.03 H new HETATM 0 H29 GCH A 201 -27.044 28.233 11.029 1.00 -0.04 H new HETATM 0 H28 GCH A 201 -28.635 29.880 11.418 1.00 -0.04 H new HETATM 0 H27 GCH A 201 -29.445 28.778 10.323 1.00 -0.04 H new HETATM 0 H26 GCH A 201 -30.665 27.775 12.188 1.00 0.07 H new HETATM 0 H25 GCH A 201 -29.812 28.801 13.324 1.00 0.07 H new HETATM 0 H24 GCH A 201 -30.331 30.273 10.547 1.00 -0.21 H new HETATM 0 H23 GCH A 201 -33.010 31.254 10.471 1.00 0.19 H new HETATM 0 H22 GCH A 201 -31.903 32.458 11.100 1.00 0.19 H new HETATM 0 H21 GCH A 201 -28.187 27.179 13.625 1.00 -0.06 H new HETATM 0 H20 GCH A 201 -26.492 27.169 13.084 1.00 -0.06 H new HETATM 0 H2 GCH A 201 -26.777 18.728 14.092 1.00 -0.03 H new HETATM 0 H19 GCH A 201 -27.298 28.711 13.458 1.00 -0.06 H new HETATM 0 H18 GCH A 201 -26.414 20.459 9.470 1.00 -0.02 H new HETATM 0 H17 GCH A 201 -27.945 19.635 9.255 1.00 -0.02 H new HETATM 0 H16 GCH A 201 -27.740 22.098 8.577 1.00 0.06 H new HETATM 0 H15 GCH A 201 -26.684 22.721 10.831 1.00 -0.01 H new HETATM 0 H14 GCH A 201 -29.311 21.824 11.694 1.00 -0.03 H new HETATM 0 H13 GCH A 201 -29.833 22.372 8.828 1.00 -0.39 H new HETATM 0 H12 GCH A 201 -27.533 17.143 12.651 1.00 0.06 H new HETATM 0 H11 GCH A 201 -28.115 17.933 10.658 1.00 -0.02 H new HETATM 0 H10 GCH A 201 -29.345 19.009 11.291 1.00 -0.02 H new HETATM 0 H1 GCH A 201 -30.245 18.157 12.948 1.00 -0.39 H new HETATM 2061 C1 CHO A 202 -36.604 18.191 9.040 1.00 -0.04 C HETATM 2062 C2 CHO A 202 -35.187 18.375 8.641 1.00 -0.03 C HETATM 2063 C3 CHO A 202 -34.219 17.779 9.683 1.00 0.06 C HETATM 2064 O3 CHO A 202 -32.887 18.244 9.381 1.00 -0.39 O HETATM 2065 C4 CHO A 202 -34.510 18.234 11.119 1.00 -0.02 C HETATM 2066 C5 CHO A 202 -36.036 18.218 11.490 1.00 -0.03 C HETATM 2067 C6 CHO A 202 -36.235 18.814 12.880 1.00 -0.02 C HETATM 2068 C7 CHO A 202 -36.182 20.329 12.935 1.00 0.06 C HETATM 2069 O7 CHO A 202 -34.957 20.830 13.347 1.00 -0.39 O HETATM 2070 C8 CHO A 202 -36.837 21.031 11.716 1.00 -0.01 C HETATM 2071 C9 CHO A 202 -36.552 20.444 10.304 1.00 -0.03 C HETATM 2072 C10 CHO A 202 -36.868 18.922 10.407 1.00 -0.03 C HETATM 2073 C11 CHO A 202 -37.313 21.165 9.261 1.00 -0.02 C HETATM 2074 C12 CHO A 202 -36.980 22.640 9.155 1.00 0.06 C HETATM 2075 C13 CHO A 202 -37.148 23.293 10.473 1.00 0.00 C HETATM 2076 C14 CHO A 202 -36.356 22.535 11.512 1.00 -0.03 C HETATM 2077 C15 CHO A 202 -36.443 23.448 12.649 1.00 -0.05 C HETATM 2078 C16 CHO A 202 -36.173 24.805 11.941 1.00 -0.05 C HETATM 2079 C17 CHO A 202 -36.444 24.635 10.415 1.00 -0.03 C HETATM 2080 C18 CHO A 202 -38.643 23.311 10.768 1.00 -0.06 C HETATM 2081 C19 CHO A 202 -38.350 18.616 10.768 1.00 -0.06 C HETATM 2082 C20 CHO A 202 -37.216 25.738 9.552 1.00 -0.04 C HETATM 2083 C21 CHO A 202 -36.161 26.735 9.247 1.00 -0.06 C HETATM 2084 C22 CHO A 202 -38.562 26.380 10.188 1.00 -0.04 C HETATM 2085 C23 CHO A 202 -38.994 27.846 10.198 1.00 0.07 C HETATM 2086 C24 CHO A 202 -40.337 27.784 10.883 1.00 0.38 C HETATM 2087 O24 CHO A 202 -41.121 26.846 10.623 1.00 -0.22 O HETATM 2088 N25 CHO A 202 -40.724 28.764 11.689 1.00 -0.21 N HETATM 2089 C26 CHO A 202 -42.153 29.048 12.066 1.00 0.19 C HETATM 2090 C27 CHO A 202 -42.361 29.368 13.577 1.00 0.12 C HETATM 2091 OT1 CHO A 202 -41.768 30.398 13.997 1.00 -0.80 O HETATM 2092 OT2 CHO A 202 -43.036 28.557 14.227 1.00 -0.31 O HETATM 0 H262 CHO A 202 -42.513 29.890 11.474 1.00 0.19 H new HETATM 0 H261 CHO A 202 -42.766 28.186 11.800 1.00 0.19 H new HETATM 0 H232 CHO A 202 -38.289 28.474 10.743 1.00 0.07 H new HETATM 0 H231 CHO A 202 -39.071 28.254 9.190 1.00 0.07 H new HETATM 0 H222 CHO A 202 -39.384 25.845 9.712 1.00 -0.04 H new HETATM 0 H221 CHO A 202 -38.552 26.080 11.236 1.00 -0.04 H new HETATM 0 H213 CHO A 202 -35.762 27.139 10.178 1.00 -0.06 H new HETATM 0 H212 CHO A 202 -35.358 26.256 8.687 1.00 -0.06 H new HETATM 0 H211 CHO A 202 -36.586 27.544 8.652 1.00 -0.06 H new HETATM 0 H193 CHO A 202 -39.002 18.997 9.982 1.00 -0.06 H new HETATM 0 H192 CHO A 202 -38.487 17.539 10.862 1.00 -0.06 H new HETATM 0 H191 CHO A 202 -38.601 19.097 11.713 1.00 -0.06 H new HETATM 0 H183 CHO A 202 -39.161 23.872 9.990 1.00 -0.06 H new HETATM 0 H182 CHO A 202 -39.022 22.289 10.792 1.00 -0.06 H new HETATM 0 H181 CHO A 202 -38.818 23.785 11.734 1.00 -0.06 H new HETATM 0 H162 CHO A 202 -36.816 25.582 12.355 1.00 -0.05 H new HETATM 0 H161 CHO A 202 -35.143 25.121 12.109 1.00 -0.05 H new HETATM 0 H152 CHO A 202 -37.420 23.419 13.131 1.00 -0.05 H new HETATM 0 H151 CHO A 202 -35.702 23.226 13.417 1.00 -0.05 H new HETATM 0 H122 CHO A 202 -35.955 22.766 8.806 1.00 0.06 H new HETATM 0 H121 CHO A 202 -37.628 23.116 8.419 1.00 0.06 H new HETATM 0 H112 CHO A 202 -37.125 20.692 8.297 1.00 -0.02 H new HETATM 0 H111 CHO A 202 -38.378 21.059 9.466 1.00 -0.02 H new HETATM 0 HO7 CHO A 202 -34.258 20.165 13.178 1.00 -0.39 H new HETATM 0 HO3 CHO A 202 -32.608 17.894 8.509 1.00 -0.39 H new HETATM 0 HN CHO A 202 -40.002 29.368 12.081 1.00 -0.21 H new HETATM 0 H9 CHO A 202 -35.515 20.573 9.995 1.00 -0.03 H new HETATM 0 H8 CHO A 202 -37.880 20.899 12.004 1.00 -0.01 H new HETATM 0 H7 CHO A 202 -36.845 20.616 13.751 1.00 0.06 H new HETATM 0 H62 CHO A 202 -37.199 18.484 13.267 1.00 -0.02 H new HETATM 0 H61 CHO A 202 -35.470 18.413 13.545 1.00 -0.02 H new HETATM 0 H5 CHO A 202 -36.395 17.189 11.526 1.00 -0.03 H new HETATM 0 H42 CHO A 202 -33.970 17.588 11.812 1.00 -0.02 H new HETATM 0 H41 CHO A 202 -34.122 19.243 11.256 1.00 -0.02 H new HETATM 0 H3 CHO A 202 -34.333 16.696 9.628 1.00 0.06 H new HETATM 0 H22 CHO A 202 -35.017 17.902 7.674 1.00 -0.03 H new HETATM 0 H21 CHO A 202 -34.979 19.438 8.517 1.00 -0.03 H new HETATM 0 H20 CHO A 202 -37.658 25.278 8.669 1.00 -0.04 H new HETATM 0 H17 CHO A 202 -35.521 24.738 9.845 1.00 -0.03 H new HETATM 0 H14 CHO A 202 -35.318 22.322 11.256 1.00 -0.03 H new HETATM 0 H12 CHO A 202 -37.264 18.590 8.270 1.00 -0.04 H new HETATM 0 H11 CHO A 202 -36.830 17.129 9.135 1.00 -0.04 H new